USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 938 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 94 MET CE :methyl -121:sc= -5.13! (180deg=-12.6!) USER MOD Set 1.2: A 99 GLN : amide:sc= -2.12! X(o=-7.3!,f=-7.6) USER MOD Set 2.1: A 70 MET CE :methyl 164:sc= -1.43 (180deg=0) USER MOD Set 2.2: A 72 GLN : amide:sc= -2.26 K(o=-3.7,f=-5.7) USER MOD Set 3.1: A 60 SER OG : rot -170:sc= -0.978 USER MOD Set 3.2: A 64 THR OG1 : rot 160:sc= 0 USER MOD Set 4.1: A 48 GLN : amide:sc= -6.39! C(o=-7.1!,f=-8.5!) USER MOD Set 4.2: A 50 GLN : amide:sc= -0.755 X(o=-7.1,f=-6.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -27:sc= 0.287 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -16! C(o=-16!,f=-22!) USER MOD Single : A 18 HIS : no HD1:sc= -8.87! C(o=-8.9!,f=-10!) USER MOD Single : A 19 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.044) USER MOD Single : A 23 TYR OH : rot 50:sc= -0.78! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.04) USER MOD Single : A 30 THR OG1 : rot 72:sc= 0.911 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.3! C(o=-2.3!,f=-2!) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -2.21 F(o=-2.8!,f=-2.2) USER MOD Single : A 65 SER OG : rot -78:sc= 0.723 USER MOD Single : A 66 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.9!) USER MOD Single : A 74 TYR OH : rot 109:sc= 0.459 USER MOD Single : A 79 TYR OH : rot -159:sc= -1.84 USER MOD Single : A 80 MET CE :methyl 154:sc= -0.103 (180deg=-1.32) USER MOD Single : A 82 ASN : amide:sc= -0.0287 K(o=-0.029,f=-0.93) USER MOD Single : A 83 ASN : amide:sc= -0.0296 X(o=-0.03,f=0.12) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.3) USER MOD Single : A 90 GLN : amide:sc=-0.00693 X(o=-0.0069,f=-0.053) USER MOD Single : A 91 HIS :FLIP no HE2:sc= -12.8! C(o=-16!,f=-13!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -4.68 F(o=-7.9!,f=-4.7) USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= -0.298 (180deg=-0.368) USER MOD Single : A 111 SER OG : rot 48:sc= 1.2 USER MOD Single : A 115 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.975 4.187 -19.178 1.00 0.00 N ATOM 2 CA GLY A 1 -26.404 2.919 -19.741 1.00 0.00 C ATOM 3 C GLY A 1 -25.532 1.770 -19.231 1.00 0.00 C ATOM 4 O GLY A 1 -25.955 1.000 -18.370 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.582 4.950 -19.539 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.047 4.149 -18.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.988 4.371 -19.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.446 2.734 -19.478 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.353 2.964 -20.829 1.00 0.00 H new ATOM 8 N SER A 2 -24.330 1.690 -19.784 1.00 0.00 N ATOM 9 CA SER A 2 -23.395 0.648 -19.395 1.00 0.00 C ATOM 10 C SER A 2 -21.966 1.072 -19.742 1.00 0.00 C ATOM 11 O SER A 2 -21.558 1.002 -20.900 1.00 0.00 O ATOM 12 CB SER A 2 -23.736 -0.679 -20.077 1.00 0.00 C ATOM 13 OG SER A 2 -25.124 -0.985 -19.987 1.00 0.00 O ATOM 0 H SER A 2 -23.982 2.330 -20.498 1.00 0.00 H new ATOM 0 HA SER A 2 -23.472 0.502 -18.318 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.442 -0.633 -21.126 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.158 -1.481 -19.619 1.00 0.00 H new ATOM 0 HG SER A 2 -25.500 -0.566 -19.185 1.00 0.00 H new ATOM 19 N MET A 3 -21.246 1.501 -18.716 1.00 0.00 N ATOM 20 CA MET A 3 -19.871 1.935 -18.898 1.00 0.00 C ATOM 21 C MET A 3 -19.808 3.243 -19.687 1.00 0.00 C ATOM 22 O MET A 3 -20.444 3.372 -20.733 1.00 0.00 O ATOM 23 CB MET A 3 -19.087 0.852 -19.641 1.00 0.00 C ATOM 24 CG MET A 3 -17.948 0.307 -18.776 1.00 0.00 C ATOM 25 SD MET A 3 -17.950 -1.478 -18.819 1.00 0.00 S ATOM 26 CE MET A 3 -17.528 -1.829 -17.120 1.00 0.00 C ATOM 0 H MET A 3 -21.588 1.557 -17.757 1.00 0.00 H new ATOM 0 HA MET A 3 -19.431 2.104 -17.915 1.00 0.00 H new ATOM 0 HB2 MET A 3 -19.758 0.039 -19.919 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.682 1.262 -20.566 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.992 0.687 -19.137 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.062 0.655 -17.749 1.00 0.00 H new ATOM 0 HE1 MET A 3 -17.486 -2.908 -16.971 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.556 -1.393 -16.889 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.284 -1.401 -16.461 1.00 0.00 H new ATOM 36 N ALA A 4 -19.036 4.181 -19.159 1.00 0.00 N ATOM 37 CA ALA A 4 -18.881 5.475 -19.802 1.00 0.00 C ATOM 38 C ALA A 4 -17.603 6.143 -19.291 1.00 0.00 C ATOM 39 O ALA A 4 -17.530 6.548 -18.132 1.00 0.00 O ATOM 40 CB ALA A 4 -20.127 6.324 -19.544 1.00 0.00 C ATOM 0 H ALA A 4 -18.510 4.071 -18.292 1.00 0.00 H new ATOM 0 HA ALA A 4 -18.783 5.359 -20.881 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.012 7.295 -20.026 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.003 5.818 -19.951 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -20.256 6.465 -18.471 1.00 0.00 H new ATOM 46 N GLY A 5 -16.628 6.239 -20.183 1.00 0.00 N ATOM 47 CA GLY A 5 -15.356 6.853 -19.837 1.00 0.00 C ATOM 48 C GLY A 5 -14.594 5.999 -18.822 1.00 0.00 C ATOM 49 O GLY A 5 -13.531 5.463 -19.130 1.00 0.00 O ATOM 0 H GLY A 5 -16.692 5.903 -21.144 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.753 6.981 -20.736 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.528 7.847 -19.425 1.00 0.00 H new ATOM 53 N GLU A 6 -15.168 5.900 -17.632 1.00 0.00 N ATOM 54 CA GLU A 6 -14.555 5.121 -16.569 1.00 0.00 C ATOM 55 C GLU A 6 -13.220 5.744 -16.155 1.00 0.00 C ATOM 56 O GLU A 6 -12.511 6.309 -16.986 1.00 0.00 O ATOM 57 CB GLU A 6 -14.371 3.663 -16.994 1.00 0.00 C ATOM 58 CG GLU A 6 -13.878 2.809 -15.824 1.00 0.00 C ATOM 59 CD GLU A 6 -15.026 2.469 -14.871 1.00 0.00 C ATOM 60 OE1 GLU A 6 -15.457 1.308 -14.811 1.00 0.00 O ATOM 61 OE2 GLU A 6 -15.471 3.461 -14.178 1.00 0.00 O ATOM 0 H GLU A 6 -16.050 6.346 -17.380 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.222 5.133 -15.707 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.316 3.267 -17.365 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.657 3.607 -17.816 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.431 1.890 -16.203 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.097 3.343 -15.283 1.00 0.00 H new ATOM 69 N ASP A 7 -12.919 5.621 -14.871 1.00 0.00 N ATOM 70 CA ASP A 7 -11.683 6.165 -14.336 1.00 0.00 C ATOM 71 C ASP A 7 -11.130 5.215 -13.271 1.00 0.00 C ATOM 72 O ASP A 7 -11.885 4.479 -12.639 1.00 0.00 O ATOM 73 CB ASP A 7 -11.919 7.526 -13.679 1.00 0.00 C ATOM 74 CG ASP A 7 -12.893 8.443 -14.422 1.00 0.00 C ATOM 75 OD1 ASP A 7 -14.028 8.666 -13.977 1.00 0.00 O ATOM 76 OD2 ASP A 7 -12.437 8.947 -15.520 1.00 0.00 O ATOM 0 H ASP A 7 -13.510 5.152 -14.185 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.981 6.280 -15.162 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.295 7.365 -12.669 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.961 8.038 -13.585 1.00 0.00 H new ATOM 82 N VAL A 8 -9.816 5.265 -13.106 1.00 0.00 N ATOM 83 CA VAL A 8 -9.154 4.417 -12.128 1.00 0.00 C ATOM 84 C VAL A 8 -9.369 4.996 -10.729 1.00 0.00 C ATOM 85 O VAL A 8 -9.887 6.102 -10.583 1.00 0.00 O ATOM 86 CB VAL A 8 -7.676 4.259 -12.490 1.00 0.00 C ATOM 87 CG1 VAL A 8 -7.010 3.188 -11.623 1.00 0.00 C ATOM 88 CG2 VAL A 8 -7.506 3.943 -13.977 1.00 0.00 C ATOM 0 H VAL A 8 -9.193 5.878 -13.632 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.586 3.416 -12.134 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.180 5.209 -12.290 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.960 3.096 -11.901 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.084 3.472 -10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.511 2.232 -11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.446 3.836 -14.207 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.024 3.014 -14.213 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.926 4.754 -14.572 1.00 0.00 H new ATOM 98 N GLY A 9 -8.957 4.223 -9.734 1.00 0.00 N ATOM 99 CA GLY A 9 -9.097 4.646 -8.350 1.00 0.00 C ATOM 100 C GLY A 9 -7.734 4.962 -7.733 1.00 0.00 C ATOM 101 O GLY A 9 -7.504 6.076 -7.265 1.00 0.00 O ATOM 0 H GLY A 9 -8.526 3.307 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.737 5.527 -8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.588 3.861 -7.774 1.00 0.00 H new ATOM 105 N ALA A 10 -6.864 3.962 -7.754 1.00 0.00 N ATOM 106 CA ALA A 10 -5.529 4.121 -7.203 1.00 0.00 C ATOM 107 C ALA A 10 -4.614 3.037 -7.776 1.00 0.00 C ATOM 108 O ALA A 10 -4.986 1.865 -7.821 1.00 0.00 O ATOM 109 CB ALA A 10 -5.598 4.077 -5.675 1.00 0.00 C ATOM 0 H ALA A 10 -7.058 3.040 -8.144 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.111 5.088 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.596 4.196 -5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.237 4.884 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.010 3.119 -5.357 1.00 0.00 H new ATOM 115 N PRO A 11 -3.403 3.477 -8.211 1.00 0.00 N ATOM 116 CA PRO A 11 -2.432 2.558 -8.780 1.00 0.00 C ATOM 117 C PRO A 11 -1.771 1.715 -7.686 1.00 0.00 C ATOM 118 O PRO A 11 -2.001 1.941 -6.499 1.00 0.00 O ATOM 119 CB PRO A 11 -1.446 3.440 -9.527 1.00 0.00 C ATOM 120 CG PRO A 11 -1.632 4.841 -8.968 1.00 0.00 C ATOM 121 CD PRO A 11 -2.929 4.857 -8.175 1.00 0.00 C ATOM 0 HA PRO A 11 -2.885 1.831 -9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.423 3.094 -9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.638 3.419 -10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.791 5.112 -8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.669 5.573 -9.775 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.763 5.192 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.656 5.537 -8.619 1.00 0.00 H new ATOM 129 N PRO A 12 -0.942 0.736 -8.138 1.00 0.00 N ATOM 130 CA PRO A 12 -0.245 -0.141 -7.213 1.00 0.00 C ATOM 131 C PRO A 12 0.922 0.586 -6.541 1.00 0.00 C ATOM 132 O PRO A 12 2.025 0.629 -7.085 1.00 0.00 O ATOM 133 CB PRO A 12 0.197 -1.327 -8.053 1.00 0.00 C ATOM 134 CG PRO A 12 0.143 -0.859 -9.498 1.00 0.00 C ATOM 135 CD PRO A 12 -0.647 0.440 -9.536 1.00 0.00 C ATOM 0 HA PRO A 12 -0.876 -0.469 -6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.204 -1.643 -7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.459 -2.183 -7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.149 -0.706 -9.888 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.331 -1.613 -10.126 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.069 1.241 -9.997 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.561 0.330 -10.119 1.00 0.00 H new ATOM 143 N ASP A 13 0.639 1.138 -5.371 1.00 0.00 N ATOM 144 CA ASP A 13 1.652 1.861 -4.621 1.00 0.00 C ATOM 145 C ASP A 13 2.954 1.057 -4.625 1.00 0.00 C ATOM 146 O ASP A 13 4.038 1.625 -4.504 1.00 0.00 O ATOM 147 CB ASP A 13 1.223 2.059 -3.166 1.00 0.00 C ATOM 148 CG ASP A 13 1.783 3.312 -2.490 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.716 3.949 -3.001 1.00 0.00 O ATOM 150 OD2 ASP A 13 1.215 3.632 -1.377 1.00 0.00 O ATOM 0 H ASP A 13 -0.277 1.099 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 13 1.790 2.834 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.134 2.099 -3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.531 1.186 -2.590 1.00 0.00 H new ATOM 156 N HIS A 14 2.804 -0.251 -4.767 1.00 0.00 N ATOM 157 CA HIS A 14 3.954 -1.138 -4.789 1.00 0.00 C ATOM 158 C HIS A 14 3.627 -2.381 -5.619 1.00 0.00 C ATOM 159 O HIS A 14 2.479 -2.824 -5.655 1.00 0.00 O ATOM 160 CB HIS A 14 4.407 -1.477 -3.368 1.00 0.00 C ATOM 161 CG HIS A 14 3.769 -2.722 -2.799 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.186 -2.760 -1.544 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.628 -3.972 -3.328 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.720 -3.982 -1.337 1.00 0.00 C ATOM 165 NE2 HIS A 14 2.994 -4.732 -2.443 1.00 0.00 N ATOM 0 H HIS A 14 1.903 -0.718 -4.868 1.00 0.00 H new ATOM 0 HA HIS A 14 4.796 -0.636 -5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.490 -1.602 -3.363 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.180 -0.634 -2.715 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.973 -4.289 -4.301 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.212 -4.325 -0.448 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.752 -5.715 -2.569 1.00 0.00 H new ATOM 173 N LEU A 15 4.656 -2.910 -6.265 1.00 0.00 N ATOM 174 CA LEU A 15 4.493 -4.094 -7.091 1.00 0.00 C ATOM 175 C LEU A 15 5.558 -5.125 -6.715 1.00 0.00 C ATOM 176 O LEU A 15 6.681 -4.764 -6.364 1.00 0.00 O ATOM 177 CB LEU A 15 4.498 -3.716 -8.574 1.00 0.00 C ATOM 178 CG LEU A 15 3.256 -2.986 -9.085 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.509 -2.370 -10.463 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.037 -3.910 -9.086 1.00 0.00 C ATOM 0 H LEU A 15 5.606 -2.540 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 15 3.524 -4.557 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.368 -3.088 -8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.627 -4.626 -9.160 1.00 0.00 H new ATOM 0 HG LEU A 15 3.038 -2.166 -8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.609 -1.857 -10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.331 -1.657 -10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.767 -3.157 -11.171 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.168 -3.365 -9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.230 -4.766 -9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.844 -4.259 -8.071 1.00 0.00 H new ATOM 192 N TRP A 16 5.170 -6.389 -6.800 1.00 0.00 N ATOM 193 CA TRP A 16 6.078 -7.475 -6.474 1.00 0.00 C ATOM 194 C TRP A 16 6.024 -8.495 -7.613 1.00 0.00 C ATOM 195 O TRP A 16 5.007 -9.160 -7.807 1.00 0.00 O ATOM 196 CB TRP A 16 5.740 -8.082 -5.111 1.00 0.00 C ATOM 197 CG TRP A 16 6.040 -7.160 -3.927 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.121 -6.392 -3.732 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.198 -6.938 -2.775 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.039 -5.695 -2.545 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.833 -6.038 -1.944 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.944 -7.481 -2.447 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.289 -5.600 -0.730 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.414 -7.034 -1.232 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.039 -6.127 -0.383 1.00 0.00 C ATOM 0 H TRP A 16 4.238 -6.685 -7.090 1.00 0.00 H new ATOM 0 HA TRP A 16 7.101 -7.109 -6.384 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.682 -8.345 -5.094 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.301 -9.008 -4.988 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.952 -6.327 -4.419 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.735 -5.047 -2.176 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.430 -8.187 -3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.805 -4.894 -0.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.451 -7.421 -0.932 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.562 -5.830 0.540 1.00 0.00 H new ATOM 216 N VAL A 17 7.130 -8.587 -8.336 1.00 0.00 N ATOM 217 CA VAL A 17 7.222 -9.516 -9.450 1.00 0.00 C ATOM 218 C VAL A 17 7.302 -10.945 -8.910 1.00 0.00 C ATOM 219 O VAL A 17 8.234 -11.286 -8.183 1.00 0.00 O ATOM 220 CB VAL A 17 8.407 -9.146 -10.343 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.734 -9.389 -9.622 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.354 -9.910 -11.668 1.00 0.00 C ATOM 0 H VAL A 17 7.971 -8.033 -8.172 1.00 0.00 H new ATOM 0 HA VAL A 17 6.331 -9.454 -10.075 1.00 0.00 H new ATOM 0 HB VAL A 17 8.338 -8.082 -10.567 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.560 -9.118 -10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.774 -8.780 -8.719 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.815 -10.442 -9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.208 -9.629 -12.285 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.386 -10.982 -11.472 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.431 -9.664 -12.193 1.00 0.00 H new ATOM 232 N HIS A 18 6.314 -11.743 -9.288 1.00 0.00 N ATOM 233 CA HIS A 18 6.262 -13.128 -8.852 1.00 0.00 C ATOM 234 C HIS A 18 6.453 -14.052 -10.055 1.00 0.00 C ATOM 235 O HIS A 18 6.971 -15.160 -9.916 1.00 0.00 O ATOM 236 CB HIS A 18 4.966 -13.409 -8.088 1.00 0.00 C ATOM 237 CG HIS A 18 4.671 -14.877 -7.901 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.444 -15.445 -6.658 1.00 0.00 N ATOM 239 CD2 HIS A 18 4.565 -15.889 -8.809 1.00 0.00 C ATOM 240 CE1 HIS A 18 4.215 -16.739 -6.823 1.00 0.00 C ATOM 241 NE2 HIS A 18 4.291 -17.013 -8.158 1.00 0.00 N ATOM 0 H HIS A 18 5.543 -11.457 -9.891 1.00 0.00 H new ATOM 0 HA HIS A 18 7.076 -13.324 -8.154 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.022 -12.933 -7.109 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.135 -12.947 -8.620 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.684 -15.792 -9.878 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.005 -17.452 -6.039 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.159 -17.930 -8.585 1.00 0.00 H new ATOM 249 N GLN A 19 6.026 -13.564 -11.210 1.00 0.00 N ATOM 250 CA GLN A 19 6.144 -14.332 -12.437 1.00 0.00 C ATOM 251 C GLN A 19 6.655 -13.444 -13.573 1.00 0.00 C ATOM 252 O GLN A 19 6.542 -12.221 -13.508 1.00 0.00 O ATOM 253 CB GLN A 19 4.809 -14.982 -12.808 1.00 0.00 C ATOM 254 CG GLN A 19 4.690 -16.379 -12.196 1.00 0.00 C ATOM 255 CD GLN A 19 4.620 -17.451 -13.286 1.00 0.00 C ATOM 256 OE1 GLN A 19 3.567 -17.760 -13.821 1.00 0.00 O ATOM 257 NE2 GLN A 19 5.795 -17.997 -13.585 1.00 0.00 N ATOM 0 H GLN A 19 5.597 -12.645 -11.322 1.00 0.00 H new ATOM 0 HA GLN A 19 6.867 -15.131 -12.273 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.987 -14.357 -12.459 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.721 -15.048 -13.892 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.545 -16.570 -11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.798 -16.432 -11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.638 -17.692 -13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.853 -18.721 -14.301 1.00 0.00 H new ATOM 266 N GLU A 20 7.207 -14.094 -14.587 1.00 0.00 N ATOM 267 CA GLU A 20 7.736 -13.377 -15.736 1.00 0.00 C ATOM 268 C GLU A 20 6.681 -12.423 -16.298 1.00 0.00 C ATOM 269 O GLU A 20 5.675 -12.861 -16.852 1.00 0.00 O ATOM 270 CB GLU A 20 8.224 -14.351 -16.811 1.00 0.00 C ATOM 271 CG GLU A 20 8.178 -13.704 -18.197 1.00 0.00 C ATOM 272 CD GLU A 20 8.772 -14.634 -19.257 1.00 0.00 C ATOM 273 OE1 GLU A 20 8.050 -15.091 -20.156 1.00 0.00 O ATOM 274 OE2 GLU A 20 10.032 -14.878 -19.123 1.00 0.00 O ATOM 0 H GLU A 20 7.300 -15.109 -14.637 1.00 0.00 H new ATOM 0 HA GLU A 20 8.593 -12.787 -15.410 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.243 -14.666 -16.586 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.604 -15.248 -16.803 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.147 -13.464 -18.456 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.730 -12.764 -18.182 1.00 0.00 H new ATOM 282 N GLY A 21 6.947 -11.135 -16.134 1.00 0.00 N ATOM 283 CA GLY A 21 6.033 -10.115 -16.618 1.00 0.00 C ATOM 284 C GLY A 21 4.773 -10.052 -15.751 1.00 0.00 C ATOM 285 O GLY A 21 3.735 -9.564 -16.195 1.00 0.00 O ATOM 0 H GLY A 21 7.782 -10.775 -15.673 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.530 -9.145 -16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.758 -10.329 -17.651 1.00 0.00 H new ATOM 289 N ILE A 22 4.907 -10.553 -14.532 1.00 0.00 N ATOM 290 CA ILE A 22 3.792 -10.560 -13.600 1.00 0.00 C ATOM 291 C ILE A 22 4.213 -9.864 -12.303 1.00 0.00 C ATOM 292 O ILE A 22 5.338 -10.039 -11.838 1.00 0.00 O ATOM 293 CB ILE A 22 3.275 -11.984 -13.393 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.252 -12.357 -14.468 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.716 -12.165 -11.981 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.938 -12.972 -15.689 1.00 0.00 C ATOM 0 H ILE A 22 5.770 -10.957 -14.168 1.00 0.00 H new ATOM 0 HA ILE A 22 2.952 -9.997 -14.007 1.00 0.00 H new ATOM 0 HB ILE A 22 4.115 -12.671 -13.496 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.530 -13.063 -14.058 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.695 -11.470 -14.768 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.355 -13.186 -11.861 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.501 -11.969 -11.251 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.893 -11.468 -11.824 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.188 -13.228 -16.437 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.642 -12.254 -16.111 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.474 -13.873 -15.390 1.00 0.00 H new ATOM 308 N TYR A 23 3.287 -9.089 -11.757 1.00 0.00 N ATOM 309 CA TYR A 23 3.550 -8.366 -10.525 1.00 0.00 C ATOM 310 C TYR A 23 2.351 -8.446 -9.577 1.00 0.00 C ATOM 311 O TYR A 23 1.214 -8.600 -10.021 1.00 0.00 O ATOM 312 CB TYR A 23 3.767 -6.907 -10.930 1.00 0.00 C ATOM 313 CG TYR A 23 5.223 -6.563 -11.256 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.103 -6.252 -10.240 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.654 -6.563 -12.566 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.471 -5.929 -10.546 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.023 -6.239 -12.874 1.00 0.00 C ATOM 318 CZ TYR A 23 7.865 -5.938 -11.849 1.00 0.00 C ATOM 319 OH TYR A 23 9.158 -5.633 -12.138 1.00 0.00 O ATOM 0 H TYR A 23 2.355 -8.946 -12.145 1.00 0.00 H new ATOM 0 HA TYR A 23 4.411 -8.789 -10.008 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.148 -6.686 -11.800 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.424 -6.261 -10.122 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.765 -6.251 -9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.965 -6.806 -13.361 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.170 -5.685 -9.760 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.373 -6.235 -13.896 1.00 0.00 H new ATOM 0 HH TYR A 23 9.754 -6.162 -11.568 1.00 0.00 H new ATOM 329 N ARG A 24 2.646 -8.337 -8.290 1.00 0.00 N ATOM 330 CA ARG A 24 1.607 -8.395 -7.276 1.00 0.00 C ATOM 331 C ARG A 24 1.400 -7.014 -6.648 1.00 0.00 C ATOM 332 O ARG A 24 2.365 -6.350 -6.270 1.00 0.00 O ATOM 333 CB ARG A 24 1.962 -9.399 -6.178 1.00 0.00 C ATOM 334 CG ARG A 24 0.802 -10.361 -5.918 1.00 0.00 C ATOM 335 CD ARG A 24 1.316 -11.757 -5.561 1.00 0.00 C ATOM 336 NE ARG A 24 1.799 -11.775 -4.161 1.00 0.00 N ATOM 337 CZ ARG A 24 2.851 -12.506 -3.734 1.00 0.00 C ATOM 338 NH1 ARG A 24 3.540 -13.285 -4.594 1.00 0.00 N ATOM 339 NH2 ARG A 24 3.195 -12.447 -2.460 1.00 0.00 N ATOM 0 H ARG A 24 3.590 -8.209 -7.926 1.00 0.00 H new ATOM 0 HA ARG A 24 0.687 -8.718 -7.763 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.848 -9.963 -6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.210 -8.866 -5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.183 -9.979 -5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.168 -10.419 -6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.520 -12.491 -5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.123 -12.040 -6.237 1.00 0.00 H new ATOM 0 HE ARG A 24 1.307 -11.200 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.268 -13.325 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.333 -13.834 -4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.669 -11.856 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.987 -12.992 -2.120 1.00 0.00 H new ATOM 352 N ASP A 25 0.138 -6.623 -6.557 1.00 0.00 N ATOM 353 CA ASP A 25 -0.206 -5.334 -5.980 1.00 0.00 C ATOM 354 C ASP A 25 -0.199 -5.444 -4.454 1.00 0.00 C ATOM 355 O ASP A 25 0.118 -6.499 -3.906 1.00 0.00 O ATOM 356 CB ASP A 25 -1.605 -4.892 -6.416 1.00 0.00 C ATOM 357 CG ASP A 25 -1.850 -3.383 -6.369 1.00 0.00 C ATOM 358 OD1 ASP A 25 -2.793 -2.869 -6.987 1.00 0.00 O ATOM 359 OD2 ASP A 25 -1.010 -2.716 -5.650 1.00 0.00 O ATOM 0 H ASP A 25 -0.659 -7.176 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 25 0.527 -4.604 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.779 -5.242 -7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.340 -5.384 -5.779 1.00 0.00 H new ATOM 365 N GLU A 26 -0.552 -4.341 -3.812 1.00 0.00 N ATOM 366 CA GLU A 26 -0.589 -4.299 -2.360 1.00 0.00 C ATOM 367 C GLU A 26 -2.008 -4.573 -1.858 1.00 0.00 C ATOM 368 O GLU A 26 -2.374 -4.155 -0.761 1.00 0.00 O ATOM 369 CB GLU A 26 -0.072 -2.958 -1.836 1.00 0.00 C ATOM 370 CG GLU A 26 -1.158 -1.883 -1.913 1.00 0.00 C ATOM 371 CD GLU A 26 -0.547 -0.482 -1.889 1.00 0.00 C ATOM 372 OE1 GLU A 26 0.434 -0.245 -1.168 1.00 0.00 O ATOM 373 OE2 GLU A 26 -1.126 0.379 -2.656 1.00 0.00 O ATOM 0 H GLU A 26 -0.815 -3.469 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 26 0.069 -5.079 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.260 -3.071 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.795 -2.646 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.740 -2.014 -2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.847 -1.997 -1.076 1.00 0.00 H new ATOM 381 N TYR A 27 -2.769 -5.275 -2.685 1.00 0.00 N ATOM 382 CA TYR A 27 -4.140 -5.611 -2.338 1.00 0.00 C ATOM 383 C TYR A 27 -4.565 -6.926 -2.994 1.00 0.00 C ATOM 384 O TYR A 27 -5.750 -7.149 -3.235 1.00 0.00 O ATOM 385 CB TYR A 27 -5.004 -4.477 -2.891 1.00 0.00 C ATOM 386 CG TYR A 27 -5.220 -3.323 -1.908 1.00 0.00 C ATOM 387 CD1 TYR A 27 -6.145 -3.447 -0.891 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.490 -2.160 -2.040 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.348 -2.362 0.033 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.693 -1.074 -1.115 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.611 -1.229 -0.125 1.00 0.00 C ATOM 392 OH TYR A 27 -5.804 -0.203 0.748 1.00 0.00 O ATOM 0 H TYR A 27 -2.462 -5.620 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.245 -5.730 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.538 -4.087 -3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.974 -4.881 -3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.716 -4.358 -0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.767 -2.064 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.069 -2.445 0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.129 -0.158 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.210 0.541 0.515 1.00 0.00 H new ATOM 402 N GLN A 28 -3.574 -7.763 -3.265 1.00 0.00 N ATOM 403 CA GLN A 28 -3.831 -9.050 -3.889 1.00 0.00 C ATOM 404 C GLN A 28 -4.261 -8.857 -5.344 1.00 0.00 C ATOM 405 O GLN A 28 -5.178 -9.528 -5.818 1.00 0.00 O ATOM 406 CB GLN A 28 -4.882 -9.840 -3.105 1.00 0.00 C ATOM 407 CG GLN A 28 -4.255 -11.052 -2.414 1.00 0.00 C ATOM 408 CD GLN A 28 -3.937 -12.156 -3.425 1.00 0.00 C ATOM 409 OE1 GLN A 28 -4.813 -12.727 -4.054 1.00 0.00 O ATOM 410 NE2 GLN A 28 -2.640 -12.422 -3.545 1.00 0.00 N ATOM 0 H GLN A 28 -2.592 -7.575 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.907 -9.629 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.348 -9.194 -2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.672 -10.170 -3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.342 -10.750 -1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.936 -11.435 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.960 -11.905 -2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.325 -13.143 -4.195 1.00 0.00 H new ATOM 419 N ARG A 29 -3.580 -7.938 -6.013 1.00 0.00 N ATOM 420 CA ARG A 29 -3.881 -7.649 -7.405 1.00 0.00 C ATOM 421 C ARG A 29 -2.676 -7.978 -8.287 1.00 0.00 C ATOM 422 O ARG A 29 -1.625 -7.349 -8.171 1.00 0.00 O ATOM 423 CB ARG A 29 -4.255 -6.177 -7.593 1.00 0.00 C ATOM 424 CG ARG A 29 -5.726 -6.032 -7.986 1.00 0.00 C ATOM 425 CD ARG A 29 -6.029 -4.609 -8.460 1.00 0.00 C ATOM 426 NE ARG A 29 -6.972 -3.954 -7.525 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.293 -4.225 -7.470 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.840 -5.141 -8.296 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.042 -3.580 -6.595 1.00 0.00 N ATOM 0 H ARG A 29 -2.821 -7.384 -5.617 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.729 -8.268 -7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.066 -5.629 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.624 -5.733 -8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.966 -6.742 -8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.360 -6.278 -7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.106 -4.033 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.456 -4.634 -9.462 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.600 -3.254 -6.883 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.254 -5.635 -8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.839 -5.339 -8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.621 -2.889 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.042 -3.772 -6.540 1.00 0.00 H new ATOM 442 N THR A 30 -2.867 -8.964 -9.152 1.00 0.00 N ATOM 443 CA THR A 30 -1.809 -9.384 -10.054 1.00 0.00 C ATOM 444 C THR A 30 -1.756 -8.467 -11.277 1.00 0.00 C ATOM 445 O THR A 30 -2.788 -8.155 -11.870 1.00 0.00 O ATOM 446 CB THR A 30 -2.045 -10.854 -10.408 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.463 -10.965 -10.503 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.674 -11.798 -9.263 1.00 0.00 C ATOM 0 H THR A 30 -3.739 -9.484 -9.247 1.00 0.00 H new ATOM 0 HA THR A 30 -0.830 -9.301 -9.581 1.00 0.00 H new ATOM 0 HB THR A 30 -1.465 -11.112 -11.294 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.773 -10.515 -11.316 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.860 -12.828 -9.566 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.619 -11.677 -9.019 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.278 -11.563 -8.387 1.00 0.00 H new ATOM 456 N TRP A 31 -0.542 -8.058 -11.619 1.00 0.00 N ATOM 457 CA TRP A 31 -0.340 -7.182 -12.761 1.00 0.00 C ATOM 458 C TRP A 31 0.477 -7.947 -13.804 1.00 0.00 C ATOM 459 O TRP A 31 1.225 -8.862 -13.464 1.00 0.00 O ATOM 460 CB TRP A 31 0.314 -5.867 -12.333 1.00 0.00 C ATOM 461 CG TRP A 31 -0.595 -4.961 -11.500 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.001 -5.138 -10.235 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.199 -3.723 -11.927 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.818 -4.108 -9.818 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.943 -3.220 -10.879 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.119 -3.049 -13.159 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.664 -2.022 -10.956 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.846 -1.854 -13.220 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.599 -1.334 -12.174 1.00 0.00 C ATOM 0 H TRP A 31 0.312 -8.317 -11.125 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.294 -6.900 -13.206 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.212 -6.091 -11.758 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.632 -5.325 -13.223 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.723 -5.981 -9.620 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.251 -4.015 -8.899 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.542 -3.424 -13.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.239 -1.649 -10.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.820 -1.297 -14.145 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.132 -0.403 -12.300 1.00 0.00 H new ATOM 480 N VAL A 32 0.309 -7.541 -15.054 1.00 0.00 N ATOM 481 CA VAL A 32 1.023 -8.175 -16.150 1.00 0.00 C ATOM 482 C VAL A 32 1.948 -7.151 -16.809 1.00 0.00 C ATOM 483 O VAL A 32 1.527 -6.410 -17.697 1.00 0.00 O ATOM 484 CB VAL A 32 0.029 -8.802 -17.129 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.600 -8.827 -18.548 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.377 -10.205 -16.675 1.00 0.00 C ATOM 0 H VAL A 32 -0.311 -6.781 -15.332 1.00 0.00 H new ATOM 0 HA VAL A 32 1.649 -8.987 -15.780 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.868 -8.182 -17.140 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.126 -9.278 -19.225 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.814 -7.809 -18.872 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.519 -9.413 -18.560 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.084 -10.628 -17.389 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.507 -10.840 -16.621 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.844 -10.148 -15.692 1.00 0.00 H new ATOM 496 N ALA A 33 3.191 -7.142 -16.351 1.00 0.00 N ATOM 497 CA ALA A 33 4.179 -6.221 -16.887 1.00 0.00 C ATOM 498 C ALA A 33 4.702 -6.760 -18.220 1.00 0.00 C ATOM 499 O ALA A 33 5.406 -7.768 -18.253 1.00 0.00 O ATOM 500 CB ALA A 33 5.297 -6.019 -15.862 1.00 0.00 C ATOM 0 H ALA A 33 3.537 -7.758 -15.615 1.00 0.00 H new ATOM 0 HA ALA A 33 3.731 -5.246 -17.078 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.038 -5.328 -16.264 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.878 -5.608 -14.943 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.772 -6.977 -15.648 1.00 0.00 H new ATOM 506 N VAL A 34 4.337 -6.063 -19.287 1.00 0.00 N ATOM 507 CA VAL A 34 4.761 -6.458 -20.619 1.00 0.00 C ATOM 508 C VAL A 34 5.951 -5.598 -21.047 1.00 0.00 C ATOM 509 O VAL A 34 5.785 -4.624 -21.780 1.00 0.00 O ATOM 510 CB VAL A 34 3.581 -6.373 -21.590 1.00 0.00 C ATOM 511 CG1 VAL A 34 4.034 -6.638 -23.027 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.464 -7.334 -21.181 1.00 0.00 C ATOM 0 H VAL A 34 3.753 -5.228 -19.255 1.00 0.00 H new ATOM 0 HA VAL A 34 5.093 -7.496 -20.622 1.00 0.00 H new ATOM 0 HB VAL A 34 3.183 -5.359 -21.546 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.177 -6.572 -23.697 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.779 -5.897 -23.316 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.470 -7.635 -23.093 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.638 -7.253 -21.888 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.844 -8.356 -21.182 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.113 -7.079 -20.181 1.00 0.00 H new ATOM 522 N VAL A 35 7.125 -5.989 -20.573 1.00 0.00 N ATOM 523 CA VAL A 35 8.342 -5.267 -20.900 1.00 0.00 C ATOM 524 C VAL A 35 8.384 -4.999 -22.405 1.00 0.00 C ATOM 525 O VAL A 35 8.574 -5.921 -23.198 1.00 0.00 O ATOM 526 CB VAL A 35 9.562 -6.043 -20.396 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.554 -7.478 -20.926 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.860 -5.326 -20.771 1.00 0.00 C ATOM 0 H VAL A 35 7.259 -6.797 -19.965 1.00 0.00 H new ATOM 0 HA VAL A 35 8.358 -4.300 -20.398 1.00 0.00 H new ATOM 0 HB VAL A 35 9.507 -6.087 -19.308 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.431 -8.008 -20.554 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.651 -7.986 -20.587 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.574 -7.464 -22.016 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.711 -5.898 -20.401 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.926 -5.237 -21.855 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.869 -4.332 -20.324 1.00 0.00 H new ATOM 538 N GLU A 36 8.202 -3.735 -22.755 1.00 0.00 N ATOM 539 CA GLU A 36 8.216 -3.335 -24.151 1.00 0.00 C ATOM 540 C GLU A 36 9.388 -2.389 -24.421 1.00 0.00 C ATOM 541 O GLU A 36 9.269 -1.179 -24.236 1.00 0.00 O ATOM 542 CB GLU A 36 6.888 -2.689 -24.551 1.00 0.00 C ATOM 543 CG GLU A 36 6.413 -3.205 -25.910 1.00 0.00 C ATOM 544 CD GLU A 36 6.035 -4.685 -25.833 1.00 0.00 C ATOM 545 OE1 GLU A 36 6.922 -5.552 -25.803 1.00 0.00 O ATOM 546 OE2 GLU A 36 4.768 -4.923 -25.803 1.00 0.00 O ATOM 0 H GLU A 36 8.044 -2.974 -22.095 1.00 0.00 H new ATOM 0 HA GLU A 36 8.346 -4.228 -24.762 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.134 -2.902 -23.794 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.004 -1.606 -24.590 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.554 -2.623 -26.244 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.200 -3.065 -26.651 1.00 0.00 H new ATOM 554 N GLU A 37 10.495 -2.976 -24.853 1.00 0.00 N ATOM 555 CA GLU A 37 11.687 -2.201 -25.149 1.00 0.00 C ATOM 556 C GLU A 37 11.358 -1.077 -26.132 1.00 0.00 C ATOM 557 O GLU A 37 11.275 -1.306 -27.338 1.00 0.00 O ATOM 558 CB GLU A 37 12.802 -3.097 -25.693 1.00 0.00 C ATOM 559 CG GLU A 37 13.377 -3.988 -24.590 1.00 0.00 C ATOM 560 CD GLU A 37 13.028 -5.457 -24.834 1.00 0.00 C ATOM 561 OE1 GLU A 37 11.840 -5.813 -24.880 1.00 0.00 O ATOM 562 OE2 GLU A 37 14.041 -6.242 -24.981 1.00 0.00 O ATOM 0 H GLU A 37 10.591 -3.980 -25.005 1.00 0.00 H new ATOM 0 HA GLU A 37 12.046 -1.753 -24.222 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.413 -3.717 -26.501 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.594 -2.480 -26.117 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.460 -3.870 -24.550 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.986 -3.673 -23.623 1.00 0.00 H new ATOM 570 N GLU A 38 11.181 0.116 -25.581 1.00 0.00 N ATOM 571 CA GLU A 38 10.865 1.277 -26.395 1.00 0.00 C ATOM 572 C GLU A 38 11.945 1.491 -27.457 1.00 0.00 C ATOM 573 O GLU A 38 13.051 0.966 -27.338 1.00 0.00 O ATOM 574 CB GLU A 38 10.695 2.525 -25.526 1.00 0.00 C ATOM 575 CG GLU A 38 9.252 2.661 -25.036 1.00 0.00 C ATOM 576 CD GLU A 38 8.395 3.414 -26.055 1.00 0.00 C ATOM 577 OE1 GLU A 38 7.631 2.789 -26.805 1.00 0.00 O ATOM 578 OE2 GLU A 38 8.543 4.696 -26.051 1.00 0.00 O ATOM 0 H GLU A 38 11.251 0.303 -24.581 1.00 0.00 H new ATOM 0 HA GLU A 38 9.917 1.095 -26.901 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.369 2.472 -24.671 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.974 3.411 -26.097 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.829 1.672 -24.860 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.236 3.188 -24.082 1.00 0.00 H new ATOM 586 N THR A 39 11.587 2.264 -28.472 1.00 0.00 N ATOM 587 CA THR A 39 12.511 2.553 -29.555 1.00 0.00 C ATOM 588 C THR A 39 13.871 2.976 -28.995 1.00 0.00 C ATOM 589 O THR A 39 14.908 2.686 -29.590 1.00 0.00 O ATOM 590 CB THR A 39 11.869 3.612 -30.454 1.00 0.00 C ATOM 591 OG1 THR A 39 10.765 2.936 -31.051 1.00 0.00 O ATOM 592 CG2 THR A 39 12.760 3.990 -31.639 1.00 0.00 C ATOM 0 H THR A 39 10.669 2.699 -28.567 1.00 0.00 H new ATOM 0 HA THR A 39 12.703 1.666 -30.159 1.00 0.00 H new ATOM 0 HB THR A 39 11.648 4.503 -29.867 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.290 3.550 -31.649 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.258 4.744 -32.245 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.705 4.390 -31.271 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.952 3.106 -32.246 1.00 0.00 H new ATOM 600 N SER A 40 13.823 3.654 -27.858 1.00 0.00 N ATOM 601 CA SER A 40 15.039 4.119 -27.212 1.00 0.00 C ATOM 602 C SER A 40 14.795 4.308 -25.713 1.00 0.00 C ATOM 603 O SER A 40 15.307 5.250 -25.111 1.00 0.00 O ATOM 604 CB SER A 40 15.528 5.427 -27.838 1.00 0.00 C ATOM 605 OG SER A 40 16.949 5.536 -27.802 1.00 0.00 O ATOM 0 H SER A 40 12.961 3.893 -27.367 1.00 0.00 H new ATOM 0 HA SER A 40 15.813 3.366 -27.356 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.186 5.485 -28.871 1.00 0.00 H new ATOM 0 HB3 SER A 40 15.086 6.271 -27.308 1.00 0.00 H new ATOM 0 HG SER A 40 17.223 6.383 -28.212 1.00 0.00 H new ATOM 611 N PHE A 41 14.014 3.395 -25.153 1.00 0.00 N ATOM 612 CA PHE A 41 13.698 3.448 -23.737 1.00 0.00 C ATOM 613 C PHE A 41 13.249 2.078 -23.223 1.00 0.00 C ATOM 614 O PHE A 41 13.223 1.107 -23.978 1.00 0.00 O ATOM 615 CB PHE A 41 12.548 4.443 -23.572 1.00 0.00 C ATOM 616 CG PHE A 41 13.001 5.894 -23.391 1.00 0.00 C ATOM 617 CD1 PHE A 41 13.747 6.243 -22.309 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.657 6.833 -24.312 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.168 7.589 -22.142 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.077 8.179 -24.145 1.00 0.00 C ATOM 621 CZ PHE A 41 13.824 8.528 -23.063 1.00 0.00 C ATOM 0 H PHE A 41 13.591 2.615 -25.655 1.00 0.00 H new ATOM 0 HA PHE A 41 14.580 3.748 -23.171 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.900 4.382 -24.446 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.949 4.150 -22.710 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.019 5.497 -21.577 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.064 6.555 -25.171 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.761 7.867 -21.283 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.804 8.925 -24.876 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.144 9.552 -22.936 1.00 0.00 H new ATOM 631 N LEU A 42 12.905 2.045 -21.944 1.00 0.00 N ATOM 632 CA LEU A 42 12.458 0.811 -21.322 1.00 0.00 C ATOM 633 C LEU A 42 11.054 1.014 -20.746 1.00 0.00 C ATOM 634 O LEU A 42 10.902 1.544 -19.647 1.00 0.00 O ATOM 635 CB LEU A 42 13.480 0.328 -20.292 1.00 0.00 C ATOM 636 CG LEU A 42 14.705 -0.399 -20.852 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.324 -1.779 -21.393 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.414 0.454 -21.906 1.00 0.00 C ATOM 0 H LEU A 42 12.927 2.853 -21.322 1.00 0.00 H new ATOM 0 HA LEU A 42 12.388 0.016 -22.064 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.824 1.189 -19.719 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.975 -0.339 -19.593 1.00 0.00 H new ATOM 0 HG LEU A 42 15.411 -0.557 -20.037 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.212 -2.274 -21.785 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.898 -2.380 -20.589 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.590 -1.667 -22.191 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.281 -0.086 -22.288 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.727 0.664 -22.726 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.740 1.392 -21.456 1.00 0.00 H new ATOM 650 N ARG A 43 10.065 0.583 -21.516 1.00 0.00 N ATOM 651 CA ARG A 43 8.680 0.712 -21.096 1.00 0.00 C ATOM 652 C ARG A 43 8.134 -0.644 -20.645 1.00 0.00 C ATOM 653 O ARG A 43 8.186 -1.619 -21.394 1.00 0.00 O ATOM 654 CB ARG A 43 7.809 1.254 -22.231 1.00 0.00 C ATOM 655 CG ARG A 43 6.350 1.383 -21.789 1.00 0.00 C ATOM 656 CD ARG A 43 5.647 2.514 -22.543 1.00 0.00 C ATOM 657 NE ARG A 43 5.239 2.049 -23.887 1.00 0.00 N ATOM 658 CZ ARG A 43 5.044 2.866 -24.944 1.00 0.00 C ATOM 659 NH1 ARG A 43 5.219 4.199 -24.820 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.680 2.342 -26.099 1.00 0.00 N ATOM 0 H ARG A 43 10.195 0.144 -22.428 1.00 0.00 H new ATOM 0 HA ARG A 43 8.649 1.415 -20.263 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.184 2.227 -22.549 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.874 0.590 -23.093 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.828 0.443 -21.967 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.307 1.574 -20.717 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.773 2.847 -21.983 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.314 3.372 -22.633 1.00 0.00 H new ATOM 0 HE ARG A 43 5.096 1.048 -24.024 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.500 4.595 -23.923 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.070 4.810 -25.623 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.550 1.334 -26.183 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.528 2.945 -26.908 1.00 0.00 H new ATOM 673 N ALA A 44 7.620 -0.663 -19.425 1.00 0.00 N ATOM 674 CA ALA A 44 7.064 -1.884 -18.866 1.00 0.00 C ATOM 675 C ALA A 44 5.559 -1.703 -18.655 1.00 0.00 C ATOM 676 O ALA A 44 5.129 -1.221 -17.609 1.00 0.00 O ATOM 677 CB ALA A 44 7.797 -2.232 -17.569 1.00 0.00 C ATOM 0 H ALA A 44 7.576 0.147 -18.807 1.00 0.00 H new ATOM 0 HA ALA A 44 7.203 -2.719 -19.553 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.380 -3.148 -17.150 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.857 -2.378 -17.778 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.677 -1.418 -16.854 1.00 0.00 H new ATOM 683 N ARG A 45 4.800 -2.100 -19.666 1.00 0.00 N ATOM 684 CA ARG A 45 3.353 -1.988 -19.604 1.00 0.00 C ATOM 685 C ARG A 45 2.791 -2.951 -18.558 1.00 0.00 C ATOM 686 O ARG A 45 2.801 -4.165 -18.757 1.00 0.00 O ATOM 687 CB ARG A 45 2.718 -2.294 -20.963 1.00 0.00 C ATOM 688 CG ARG A 45 1.206 -2.071 -20.924 1.00 0.00 C ATOM 689 CD ARG A 45 0.463 -3.231 -21.590 1.00 0.00 C ATOM 690 NE ARG A 45 1.225 -3.713 -22.763 1.00 0.00 N ATOM 691 CZ ARG A 45 0.855 -4.764 -23.526 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.272 -5.453 -23.245 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.611 -5.108 -24.552 1.00 0.00 N ATOM 0 H ARG A 45 5.160 -2.500 -20.533 1.00 0.00 H new ATOM 0 HA ARG A 45 3.111 -0.962 -19.326 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.163 -1.658 -21.728 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.930 -3.326 -21.243 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.876 -1.969 -19.890 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.959 -1.138 -21.430 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.326 -4.043 -20.876 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.531 -2.907 -21.900 1.00 0.00 H new ATOM 0 HE ARG A 45 2.083 -3.221 -23.011 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.852 -5.181 -22.451 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.544 -6.246 -23.827 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.460 -4.582 -24.758 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.346 -5.899 -25.138 1.00 0.00 H new ATOM 706 N VAL A 46 2.313 -2.375 -17.465 1.00 0.00 N ATOM 707 CA VAL A 46 1.745 -3.167 -16.387 1.00 0.00 C ATOM 708 C VAL A 46 0.222 -3.181 -16.516 1.00 0.00 C ATOM 709 O VAL A 46 -0.431 -2.154 -16.332 1.00 0.00 O ATOM 710 CB VAL A 46 2.226 -2.632 -15.037 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.245 -3.742 -13.982 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.600 -1.973 -15.165 1.00 0.00 C ATOM 0 H VAL A 46 2.307 -1.368 -17.302 1.00 0.00 H new ATOM 0 HA VAL A 46 2.085 -4.201 -16.453 1.00 0.00 H new ATOM 0 HB VAL A 46 1.520 -1.870 -14.709 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.591 -3.335 -13.032 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.240 -4.145 -13.860 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.918 -4.537 -14.302 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.918 -1.602 -14.191 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.322 -2.705 -15.527 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.541 -1.142 -15.868 1.00 0.00 H new ATOM 722 N GLN A 47 -0.302 -4.356 -16.834 1.00 0.00 N ATOM 723 CA GLN A 47 -1.738 -4.518 -16.991 1.00 0.00 C ATOM 724 C GLN A 47 -2.313 -5.321 -15.823 1.00 0.00 C ATOM 725 O GLN A 47 -1.798 -6.385 -15.484 1.00 0.00 O ATOM 726 CB GLN A 47 -2.071 -5.180 -18.329 1.00 0.00 C ATOM 727 CG GLN A 47 -3.493 -5.746 -18.321 1.00 0.00 C ATOM 728 CD GLN A 47 -4.102 -5.719 -19.725 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.542 -6.723 -20.259 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.103 -4.514 -20.290 1.00 0.00 N ATOM 0 H GLN A 47 0.242 -5.205 -16.987 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.198 -3.530 -16.987 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.970 -4.452 -19.134 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.358 -5.980 -18.531 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.479 -6.770 -17.947 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.115 -5.166 -17.640 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.718 -3.714 -19.787 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.488 -4.390 -21.226 1.00 0.00 H new ATOM 739 N GLN A 48 -3.373 -4.781 -15.240 1.00 0.00 N ATOM 740 CA GLN A 48 -4.024 -5.436 -14.118 1.00 0.00 C ATOM 741 C GLN A 48 -5.071 -6.432 -14.620 1.00 0.00 C ATOM 742 O GLN A 48 -5.967 -6.068 -15.380 1.00 0.00 O ATOM 743 CB GLN A 48 -4.653 -4.409 -13.174 1.00 0.00 C ATOM 744 CG GLN A 48 -5.554 -5.093 -12.144 1.00 0.00 C ATOM 745 CD GLN A 48 -4.874 -6.330 -11.556 1.00 0.00 C ATOM 746 OE1 GLN A 48 -5.332 -7.452 -11.705 1.00 0.00 O ATOM 747 NE2 GLN A 48 -3.760 -6.066 -10.880 1.00 0.00 N ATOM 0 H GLN A 48 -3.797 -3.898 -15.523 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.269 -5.985 -13.555 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.869 -3.851 -12.663 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.234 -3.688 -13.749 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.796 -4.392 -11.345 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.496 -5.379 -12.613 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.432 -5.104 -10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.233 -6.825 -10.448 1.00 0.00 H new ATOM 756 N ILE A 49 -4.924 -7.672 -14.174 1.00 0.00 N ATOM 757 CA ILE A 49 -5.845 -8.724 -14.568 1.00 0.00 C ATOM 758 C ILE A 49 -5.888 -9.794 -13.476 1.00 0.00 C ATOM 759 O ILE A 49 -4.988 -9.871 -12.641 1.00 0.00 O ATOM 760 CB ILE A 49 -5.477 -9.269 -15.949 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.052 -9.827 -15.955 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.681 -8.207 -17.031 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.028 -8.716 -16.197 1.00 0.00 C ATOM 0 H ILE A 49 -4.180 -7.971 -13.543 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.856 -8.328 -14.666 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.149 -10.096 -16.180 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.845 -10.316 -15.003 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.959 -10.587 -16.730 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.412 -8.621 -18.003 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.726 -7.898 -17.045 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.050 -7.344 -16.817 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.024 -9.140 -16.196 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.223 -8.246 -17.161 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.107 -7.970 -15.406 1.00 0.00 H new ATOM 775 N GLN A 50 -6.943 -10.593 -13.517 1.00 0.00 N ATOM 776 CA GLN A 50 -7.117 -11.655 -12.540 1.00 0.00 C ATOM 777 C GLN A 50 -6.533 -12.965 -13.071 1.00 0.00 C ATOM 778 O GLN A 50 -7.210 -13.709 -13.779 1.00 0.00 O ATOM 779 CB GLN A 50 -8.591 -11.822 -12.167 1.00 0.00 C ATOM 780 CG GLN A 50 -9.130 -10.565 -11.482 1.00 0.00 C ATOM 781 CD GLN A 50 -8.237 -10.155 -10.310 1.00 0.00 C ATOM 782 OE1 GLN A 50 -8.352 -10.656 -9.204 1.00 0.00 O ATOM 783 NE2 GLN A 50 -7.346 -9.216 -10.612 1.00 0.00 N ATOM 0 H GLN A 50 -7.687 -10.527 -14.212 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.577 -11.380 -11.634 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.175 -12.031 -13.063 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.707 -12.680 -11.504 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.187 -9.750 -12.203 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.144 -10.747 -11.125 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.303 -8.839 -11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.705 -8.872 -9.897 1.00 0.00 H new ATOM 792 N VAL A 51 -5.282 -13.210 -12.708 1.00 0.00 N ATOM 793 CA VAL A 51 -4.599 -14.417 -13.140 1.00 0.00 C ATOM 794 C VAL A 51 -3.842 -15.020 -11.956 1.00 0.00 C ATOM 795 O VAL A 51 -3.222 -14.298 -11.177 1.00 0.00 O ATOM 796 CB VAL A 51 -3.694 -14.108 -14.335 1.00 0.00 C ATOM 797 CG1 VAL A 51 -4.507 -13.572 -15.514 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.586 -13.127 -13.942 1.00 0.00 C ATOM 0 H VAL A 51 -4.724 -12.592 -12.119 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.318 -15.162 -13.480 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.223 -15.039 -14.649 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.840 -13.360 -16.350 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.243 -14.317 -15.817 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.018 -12.656 -15.217 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.956 -12.923 -14.808 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.032 -12.196 -13.591 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.980 -13.562 -13.147 1.00 0.00 H new ATOM 808 N PRO A 52 -3.917 -16.375 -11.855 1.00 0.00 N ATOM 809 CA PRO A 52 -3.247 -17.083 -10.778 1.00 0.00 C ATOM 810 C PRO A 52 -1.738 -17.152 -11.023 1.00 0.00 C ATOM 811 O PRO A 52 -1.295 -17.654 -12.055 1.00 0.00 O ATOM 812 CB PRO A 52 -3.905 -18.453 -10.739 1.00 0.00 C ATOM 813 CG PRO A 52 -4.591 -18.625 -12.085 1.00 0.00 C ATOM 814 CD PRO A 52 -4.642 -17.263 -12.759 1.00 0.00 C ATOM 0 HA PRO A 52 -3.348 -16.579 -9.817 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.166 -19.237 -10.575 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.625 -18.517 -9.923 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.045 -19.337 -12.704 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.597 -19.024 -11.953 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.177 -17.291 -13.744 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.670 -16.930 -12.901 1.00 0.00 H new ATOM 822 N LEU A 53 -0.991 -16.639 -10.057 1.00 0.00 N ATOM 823 CA LEU A 53 0.460 -16.635 -10.155 1.00 0.00 C ATOM 824 C LEU A 53 0.967 -18.078 -10.197 1.00 0.00 C ATOM 825 O LEU A 53 0.941 -18.778 -9.186 1.00 0.00 O ATOM 826 CB LEU A 53 1.071 -15.801 -9.029 1.00 0.00 C ATOM 827 CG LEU A 53 0.527 -14.378 -8.877 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.452 -14.287 -7.705 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.667 -13.365 -8.752 1.00 0.00 C ATOM 0 H LEU A 53 -1.362 -16.223 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 53 0.778 -16.157 -11.082 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.918 -16.330 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.147 -15.742 -9.190 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.029 -14.127 -9.780 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.823 -13.266 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.289 -14.964 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.058 -14.566 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.253 -12.362 -8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.271 -13.603 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.290 -13.407 -9.645 1.00 0.00 H new ATOM 841 N GLY A 54 1.418 -18.479 -11.376 1.00 0.00 N ATOM 842 CA GLY A 54 1.931 -19.826 -11.563 1.00 0.00 C ATOM 843 C GLY A 54 3.210 -20.043 -10.753 1.00 0.00 C ATOM 844 O GLY A 54 3.197 -19.946 -9.526 1.00 0.00 O ATOM 0 H GLY A 54 1.439 -17.895 -12.212 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.177 -20.552 -11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.132 -19.999 -12.620 1.00 0.00 H new ATOM 848 N ASP A 55 4.286 -20.332 -11.470 1.00 0.00 N ATOM 849 CA ASP A 55 5.571 -20.564 -10.834 1.00 0.00 C ATOM 850 C ASP A 55 6.019 -19.286 -10.121 1.00 0.00 C ATOM 851 O ASP A 55 5.262 -18.322 -10.032 1.00 0.00 O ATOM 852 CB ASP A 55 6.639 -20.929 -11.867 1.00 0.00 C ATOM 853 CG ASP A 55 6.301 -22.132 -12.748 1.00 0.00 C ATOM 854 OD1 ASP A 55 5.946 -23.210 -12.249 1.00 0.00 O ATOM 855 OD2 ASP A 55 6.417 -21.928 -14.017 1.00 0.00 O ATOM 0 H ASP A 55 4.294 -20.411 -12.487 1.00 0.00 H new ATOM 0 HA ASP A 55 5.456 -21.387 -10.129 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.813 -20.065 -12.509 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.574 -21.131 -11.345 1.00 0.00 H new ATOM 861 N ALA A 56 7.250 -19.321 -9.631 1.00 0.00 N ATOM 862 CA ALA A 56 7.809 -18.178 -8.930 1.00 0.00 C ATOM 863 C ALA A 56 9.334 -18.207 -9.050 1.00 0.00 C ATOM 864 O ALA A 56 10.039 -18.269 -8.043 1.00 0.00 O ATOM 865 CB ALA A 56 7.338 -18.191 -7.474 1.00 0.00 C ATOM 0 H ALA A 56 7.876 -20.123 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 56 7.461 -17.247 -9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.758 -17.333 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.250 -18.139 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.671 -19.110 -6.992 1.00 0.00 H new ATOM 871 N ALA A 57 9.799 -18.162 -10.290 1.00 0.00 N ATOM 872 CA ALA A 57 11.228 -18.182 -10.554 1.00 0.00 C ATOM 873 C ALA A 57 11.677 -16.794 -11.015 1.00 0.00 C ATOM 874 O ALA A 57 11.049 -15.791 -10.678 1.00 0.00 O ATOM 875 CB ALA A 57 11.541 -19.268 -11.586 1.00 0.00 C ATOM 0 H ALA A 57 9.212 -18.112 -11.123 1.00 0.00 H new ATOM 0 HA ALA A 57 11.782 -18.423 -9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.613 -19.283 -11.784 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.230 -20.238 -11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.004 -19.057 -12.511 1.00 0.00 H new ATOM 881 N ARG A 58 12.760 -16.780 -11.778 1.00 0.00 N ATOM 882 CA ARG A 58 13.300 -15.531 -12.288 1.00 0.00 C ATOM 883 C ARG A 58 13.735 -15.696 -13.745 1.00 0.00 C ATOM 884 O ARG A 58 14.896 -15.471 -14.079 1.00 0.00 O ATOM 885 CB ARG A 58 14.497 -15.068 -11.455 1.00 0.00 C ATOM 886 CG ARG A 58 14.128 -14.964 -9.974 1.00 0.00 C ATOM 887 CD ARG A 58 15.198 -14.199 -9.194 1.00 0.00 C ATOM 888 NE ARG A 58 15.723 -15.041 -8.096 1.00 0.00 N ATOM 889 CZ ARG A 58 16.617 -16.039 -8.269 1.00 0.00 C ATOM 890 NH1 ARG A 58 17.093 -16.327 -9.498 1.00 0.00 N ATOM 891 NH2 ARG A 58 17.018 -16.727 -7.217 1.00 0.00 N ATOM 0 H ARG A 58 13.278 -17.614 -12.055 1.00 0.00 H new ATOM 0 HA ARG A 58 12.514 -14.779 -12.223 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.323 -15.768 -11.579 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.843 -14.099 -11.816 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.167 -14.460 -9.870 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.011 -15.963 -9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.010 -13.910 -9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.776 -13.279 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 58 15.389 -14.856 -7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.778 -15.790 -10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.768 -17.082 -9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 58 16.653 -16.502 -6.291 1.00 0.00 H new ATOM 0 HH22 ARG A 58 17.692 -17.484 -7.329 1.00 0.00 H new ATOM 904 N PRO A 59 12.753 -16.100 -14.595 1.00 0.00 N ATOM 905 CA PRO A 59 13.023 -16.299 -16.009 1.00 0.00 C ATOM 906 C PRO A 59 13.151 -14.959 -16.738 1.00 0.00 C ATOM 907 O PRO A 59 14.120 -14.732 -17.460 1.00 0.00 O ATOM 908 CB PRO A 59 11.865 -17.142 -16.516 1.00 0.00 C ATOM 909 CG PRO A 59 10.759 -16.994 -15.484 1.00 0.00 C ATOM 910 CD PRO A 59 11.366 -16.377 -14.235 1.00 0.00 C ATOM 0 HA PRO A 59 13.973 -16.802 -16.188 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.533 -16.800 -17.496 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.160 -18.186 -16.625 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.958 -16.364 -15.871 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.318 -17.964 -15.255 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.842 -15.465 -13.949 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.306 -17.059 -13.387 1.00 0.00 H new ATOM 918 N SER A 60 12.158 -14.109 -16.522 1.00 0.00 N ATOM 919 CA SER A 60 12.148 -12.797 -17.149 1.00 0.00 C ATOM 920 C SER A 60 13.293 -11.945 -16.598 1.00 0.00 C ATOM 921 O SER A 60 13.897 -11.162 -17.331 1.00 0.00 O ATOM 922 CB SER A 60 10.808 -12.093 -16.928 1.00 0.00 C ATOM 923 OG SER A 60 10.400 -11.350 -18.073 1.00 0.00 O ATOM 0 H SER A 60 11.356 -14.302 -15.923 1.00 0.00 H new ATOM 0 HA SER A 60 12.286 -12.929 -18.222 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.045 -12.833 -16.686 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.887 -11.424 -16.071 1.00 0.00 H new ATOM 0 HG SER A 60 9.628 -10.792 -17.843 1.00 0.00 H new ATOM 929 N HIS A 61 13.558 -12.125 -15.313 1.00 0.00 N ATOM 930 CA HIS A 61 14.619 -11.383 -14.656 1.00 0.00 C ATOM 931 C HIS A 61 15.970 -11.771 -15.263 1.00 0.00 C ATOM 932 O HIS A 61 16.850 -10.927 -15.421 1.00 0.00 O ATOM 933 CB HIS A 61 14.570 -11.588 -13.141 1.00 0.00 C ATOM 934 CG HIS A 61 13.174 -11.759 -12.590 1.00 0.00 C ATOM 935 ND1 HIS A 61 11.956 -11.546 -13.166 1.00 0.00 N flip ATOM 936 CD2 HIS A 61 12.926 -12.200 -11.301 1.00 0.00 C flip ATOM 937 CE1 HIS A 61 11.015 -11.840 -12.277 1.00 0.00 C flip ATOM 938 NE2 HIS A 61 11.614 -12.245 -11.121 1.00 0.00 N flip ATOM 0 H HIS A 61 13.055 -12.775 -14.709 1.00 0.00 H new ATOM 0 HA HIS A 61 14.477 -10.315 -14.824 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.161 -12.467 -12.884 1.00 0.00 H new ATOM 0 HB3 HIS A 61 15.040 -10.734 -12.654 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.674 -12.462 -10.568 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.950 -11.770 -12.442 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.136 -12.532 -10.267 1.00 0.00 H new ATOM 946 N LEU A 62 16.089 -13.050 -15.587 1.00 0.00 N ATOM 947 CA LEU A 62 17.317 -13.561 -16.173 1.00 0.00 C ATOM 948 C LEU A 62 17.297 -13.315 -17.683 1.00 0.00 C ATOM 949 O LEU A 62 18.330 -13.017 -18.281 1.00 0.00 O ATOM 950 CB LEU A 62 17.522 -15.029 -15.792 1.00 0.00 C ATOM 951 CG LEU A 62 18.493 -15.292 -14.639 1.00 0.00 C ATOM 952 CD1 LEU A 62 19.882 -14.735 -14.953 1.00 0.00 C ATOM 953 CD2 LEU A 62 17.939 -14.747 -13.321 1.00 0.00 C ATOM 0 H LEU A 62 15.356 -13.747 -15.455 1.00 0.00 H new ATOM 0 HA LEU A 62 18.180 -13.028 -15.774 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.553 -15.455 -15.530 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.879 -15.566 -16.671 1.00 0.00 H new ATOM 0 HG LEU A 62 18.600 -16.370 -14.521 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.552 -14.936 -14.117 1.00 0.00 H new ATOM 0 HD12 LEU A 62 20.271 -15.213 -15.852 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.815 -13.659 -15.114 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.648 -14.947 -12.518 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.784 -13.672 -13.409 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.990 -15.234 -13.096 1.00 0.00 H new ATOM 965 N LEU A 63 16.110 -13.448 -18.256 1.00 0.00 N ATOM 966 CA LEU A 63 15.942 -13.243 -19.685 1.00 0.00 C ATOM 967 C LEU A 63 16.003 -11.745 -19.992 1.00 0.00 C ATOM 968 O LEU A 63 16.960 -11.272 -20.604 1.00 0.00 O ATOM 969 CB LEU A 63 14.660 -13.919 -20.176 1.00 0.00 C ATOM 970 CG LEU A 63 14.583 -14.199 -21.679 1.00 0.00 C ATOM 971 CD1 LEU A 63 13.701 -15.416 -21.964 1.00 0.00 C ATOM 972 CD2 LEU A 63 14.115 -12.959 -22.444 1.00 0.00 C ATOM 0 H LEU A 63 15.255 -13.695 -17.757 1.00 0.00 H new ATOM 0 HA LEU A 63 16.756 -13.715 -20.236 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.544 -14.863 -19.644 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.813 -13.291 -19.899 1.00 0.00 H new ATOM 0 HG LEU A 63 15.585 -14.437 -22.035 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.663 -15.594 -23.039 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.117 -16.292 -21.466 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.694 -15.231 -21.591 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.069 -13.185 -23.509 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.126 -12.666 -22.092 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.816 -12.142 -22.276 1.00 0.00 H new ATOM 984 N THR A 64 14.971 -11.041 -19.554 1.00 0.00 N ATOM 985 CA THR A 64 14.895 -9.607 -19.775 1.00 0.00 C ATOM 986 C THR A 64 15.938 -8.881 -18.922 1.00 0.00 C ATOM 987 O THR A 64 16.900 -8.325 -19.451 1.00 0.00 O ATOM 988 CB THR A 64 13.460 -9.159 -19.491 1.00 0.00 C ATOM 989 OG1 THR A 64 12.704 -9.723 -20.559 1.00 0.00 O ATOM 990 CG2 THR A 64 13.273 -7.650 -19.658 1.00 0.00 C ATOM 0 H THR A 64 14.180 -11.437 -19.047 1.00 0.00 H new ATOM 0 HA THR A 64 15.131 -9.353 -20.808 1.00 0.00 H new ATOM 0 HB THR A 64 13.183 -9.448 -18.477 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.759 -9.767 -20.303 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.237 -7.386 -19.445 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.931 -7.123 -18.967 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.517 -7.364 -20.681 1.00 0.00 H new ATOM 998 N SER A 65 15.712 -8.908 -17.617 1.00 0.00 N ATOM 999 CA SER A 65 16.620 -8.262 -16.686 1.00 0.00 C ATOM 1000 C SER A 65 16.475 -6.741 -16.784 1.00 0.00 C ATOM 1001 O SER A 65 17.467 -6.016 -16.741 1.00 0.00 O ATOM 1002 CB SER A 65 18.069 -8.675 -16.952 1.00 0.00 C ATOM 1003 OG SER A 65 18.692 -7.842 -17.926 1.00 0.00 O ATOM 0 H SER A 65 14.912 -9.368 -17.182 1.00 0.00 H new ATOM 0 HA SER A 65 16.359 -8.582 -15.677 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.635 -8.630 -16.022 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.094 -9.711 -17.291 1.00 0.00 H new ATOM 0 HG SER A 65 18.388 -8.102 -18.821 1.00 0.00 H new ATOM 1009 N GLN A 66 15.231 -6.305 -16.916 1.00 0.00 N ATOM 1010 CA GLN A 66 14.944 -4.884 -17.024 1.00 0.00 C ATOM 1011 C GLN A 66 14.085 -4.426 -15.843 1.00 0.00 C ATOM 1012 O GLN A 66 14.494 -3.558 -15.073 1.00 0.00 O ATOM 1013 CB GLN A 66 14.264 -4.561 -18.355 1.00 0.00 C ATOM 1014 CG GLN A 66 15.068 -5.119 -19.532 1.00 0.00 C ATOM 1015 CD GLN A 66 16.290 -4.246 -19.824 1.00 0.00 C ATOM 1016 OE1 GLN A 66 16.883 -3.647 -18.940 1.00 0.00 O ATOM 1017 NE2 GLN A 66 16.633 -4.206 -21.108 1.00 0.00 N ATOM 0 H GLN A 66 14.411 -6.910 -16.951 1.00 0.00 H new ATOM 0 HA GLN A 66 15.888 -4.339 -16.995 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.258 -4.982 -18.365 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.159 -3.481 -18.461 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.389 -6.136 -19.308 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.434 -5.172 -20.417 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.094 -4.731 -21.797 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.435 -3.650 -21.404 1.00 0.00 H new ATOM 1026 N LEU A 67 12.910 -5.029 -15.739 1.00 0.00 N ATOM 1027 CA LEU A 67 11.990 -4.694 -14.666 1.00 0.00 C ATOM 1028 C LEU A 67 12.599 -5.116 -13.327 1.00 0.00 C ATOM 1029 O LEU A 67 13.237 -6.163 -13.233 1.00 0.00 O ATOM 1030 CB LEU A 67 10.611 -5.302 -14.933 1.00 0.00 C ATOM 1031 CG LEU A 67 9.847 -4.734 -16.131 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.695 -4.800 -17.402 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.498 -5.434 -16.303 1.00 0.00 C ATOM 0 H LEU A 67 12.574 -5.748 -16.380 1.00 0.00 H new ATOM 0 HA LEU A 67 11.835 -3.616 -14.620 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.732 -6.375 -15.080 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.999 -5.169 -14.041 1.00 0.00 H new ATOM 0 HG LEU A 67 9.640 -3.682 -15.937 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.129 -4.390 -18.239 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.607 -4.219 -17.262 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.954 -5.837 -17.613 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.976 -5.011 -17.161 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.659 -6.500 -16.465 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.897 -5.290 -15.405 1.00 0.00 H new ATOM 1045 N PRO A 68 12.375 -4.255 -12.298 1.00 0.00 N ATOM 1046 CA PRO A 68 12.893 -4.528 -10.969 1.00 0.00 C ATOM 1047 C PRO A 68 12.080 -5.623 -10.276 1.00 0.00 C ATOM 1048 O PRO A 68 11.036 -6.037 -10.778 1.00 0.00 O ATOM 1049 CB PRO A 68 12.834 -3.195 -10.242 1.00 0.00 C ATOM 1050 CG PRO A 68 11.859 -2.334 -11.029 1.00 0.00 C ATOM 1051 CD PRO A 68 11.624 -3.005 -12.372 1.00 0.00 C ATOM 0 HA PRO A 68 13.913 -4.912 -10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.498 -3.326 -9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.819 -2.730 -10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.920 -2.227 -10.486 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.262 -1.331 -11.169 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.563 -3.190 -12.542 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.975 -2.380 -13.194 1.00 0.00 H new ATOM 1059 N LEU A 69 12.589 -6.062 -9.134 1.00 0.00 N ATOM 1060 CA LEU A 69 11.923 -7.101 -8.368 1.00 0.00 C ATOM 1061 C LEU A 69 10.737 -6.494 -7.617 1.00 0.00 C ATOM 1062 O LEU A 69 9.846 -7.216 -7.171 1.00 0.00 O ATOM 1063 CB LEU A 69 12.922 -7.822 -7.460 1.00 0.00 C ATOM 1064 CG LEU A 69 12.796 -9.346 -7.400 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.442 -9.761 -6.820 1.00 0.00 C ATOM 1066 CD2 LEU A 69 13.048 -9.972 -8.772 1.00 0.00 C ATOM 0 H LEU A 69 13.455 -5.717 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 69 11.522 -7.866 -9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.930 -7.574 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.814 -7.428 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 69 13.565 -9.726 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.378 -10.849 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.341 -9.362 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.642 -9.369 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.952 -11.055 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.319 -9.589 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.053 -9.718 -9.109 1.00 0.00 H new ATOM 1078 N MET A 70 10.763 -5.175 -7.501 1.00 0.00 N ATOM 1079 CA MET A 70 9.701 -4.463 -6.812 1.00 0.00 C ATOM 1080 C MET A 70 9.707 -2.978 -7.180 1.00 0.00 C ATOM 1081 O MET A 70 10.766 -2.394 -7.402 1.00 0.00 O ATOM 1082 CB MET A 70 9.882 -4.614 -5.300 1.00 0.00 C ATOM 1083 CG MET A 70 8.924 -3.697 -4.537 1.00 0.00 C ATOM 1084 SD MET A 70 9.838 -2.387 -3.741 1.00 0.00 S ATOM 1085 CE MET A 70 8.902 -2.231 -2.229 1.00 0.00 C ATOM 0 H MET A 70 11.503 -4.580 -7.873 1.00 0.00 H new ATOM 0 HA MET A 70 8.746 -4.890 -7.118 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.706 -5.650 -5.011 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.911 -4.378 -5.028 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.189 -3.275 -5.222 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.373 -4.272 -3.793 1.00 0.00 H new ATOM 0 HE1 MET A 70 9.484 -1.670 -1.497 1.00 0.00 H new ATOM 0 HE2 MET A 70 7.969 -1.705 -2.431 1.00 0.00 H new ATOM 0 HE3 MET A 70 8.681 -3.223 -1.834 1.00 0.00 H new ATOM 1095 N TRP A 71 8.511 -2.409 -7.234 1.00 0.00 N ATOM 1096 CA TRP A 71 8.365 -1.004 -7.571 1.00 0.00 C ATOM 1097 C TRP A 71 7.883 -0.266 -6.322 1.00 0.00 C ATOM 1098 O TRP A 71 7.256 -0.861 -5.447 1.00 0.00 O ATOM 1099 CB TRP A 71 7.432 -0.822 -8.770 1.00 0.00 C ATOM 1100 CG TRP A 71 8.146 -0.840 -10.123 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.255 -0.178 -10.480 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.752 -1.588 -11.293 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.604 -0.444 -11.788 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.660 -1.328 -12.299 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.663 -2.455 -11.496 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.574 -1.895 -13.576 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.591 -3.014 -12.777 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.499 -2.763 -13.800 1.00 0.00 C ATOM 0 H TRP A 71 7.634 -2.897 -7.050 1.00 0.00 H new ATOM 0 HA TRP A 71 9.321 -0.580 -7.879 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.681 -1.612 -8.756 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.901 0.124 -8.664 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.806 0.481 -9.826 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.407 -0.062 -12.288 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.939 -2.672 -10.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.298 -1.675 -14.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.773 -3.688 -12.986 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.375 -3.236 -14.763 1.00 0.00 H new ATOM 1119 N GLN A 72 8.195 1.022 -6.277 1.00 0.00 N ATOM 1120 CA GLN A 72 7.802 1.849 -5.149 1.00 0.00 C ATOM 1121 C GLN A 72 7.212 3.172 -5.641 1.00 0.00 C ATOM 1122 O GLN A 72 7.948 4.113 -5.932 1.00 0.00 O ATOM 1123 CB GLN A 72 8.983 2.091 -4.207 1.00 0.00 C ATOM 1124 CG GLN A 72 8.500 2.387 -2.786 1.00 0.00 C ATOM 1125 CD GLN A 72 8.229 1.093 -2.017 1.00 0.00 C ATOM 1126 OE1 GLN A 72 9.062 0.589 -1.283 1.00 0.00 O ATOM 1127 NE2 GLN A 72 7.018 0.583 -2.228 1.00 0.00 N ATOM 0 H GLN A 72 8.716 1.512 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 72 7.034 1.319 -4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.632 1.215 -4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.580 2.926 -4.573 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.250 2.977 -2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.591 2.988 -2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.368 1.056 -2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.740 -0.281 -1.762 1.00 0.00 H new ATOM 1136 N LEU A 73 5.889 3.202 -5.717 1.00 0.00 N ATOM 1137 CA LEU A 73 5.193 4.395 -6.168 1.00 0.00 C ATOM 1138 C LEU A 73 5.749 5.614 -5.431 1.00 0.00 C ATOM 1139 O LEU A 73 5.627 5.717 -4.211 1.00 0.00 O ATOM 1140 CB LEU A 73 3.680 4.221 -6.015 1.00 0.00 C ATOM 1141 CG LEU A 73 2.841 5.491 -6.170 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.217 6.244 -7.449 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.346 5.171 -6.113 1.00 0.00 C ATOM 0 H LEU A 73 5.281 2.420 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 73 5.367 4.559 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.341 3.493 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.481 3.795 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 73 3.062 6.150 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.606 7.143 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.270 6.523 -7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.043 5.603 -8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.772 6.091 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.090 4.483 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.109 4.711 -5.154 1.00 0.00 H new ATOM 1155 N TYR A 74 6.350 6.508 -6.202 1.00 0.00 N ATOM 1156 CA TYR A 74 6.928 7.716 -5.637 1.00 0.00 C ATOM 1157 C TYR A 74 5.993 8.912 -5.828 1.00 0.00 C ATOM 1158 O TYR A 74 4.904 8.772 -6.382 1.00 0.00 O ATOM 1159 CB TYR A 74 8.222 7.968 -6.414 1.00 0.00 C ATOM 1160 CG TYR A 74 9.487 7.892 -5.555 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.550 7.011 -4.496 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.564 8.706 -5.841 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.740 6.939 -3.688 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.754 8.635 -5.034 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.784 7.755 -3.998 1.00 0.00 C ATOM 1166 OH TYR A 74 12.908 7.689 -3.235 1.00 0.00 O ATOM 0 H TYR A 74 6.449 6.420 -7.213 1.00 0.00 H new ATOM 0 HA TYR A 74 7.099 7.595 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.298 7.238 -7.220 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.169 8.952 -6.879 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.707 6.375 -4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.514 9.396 -6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.802 6.254 -2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.604 9.267 -5.247 1.00 0.00 H new ATOM 0 HH TYR A 74 13.630 7.274 -3.751 1.00 0.00 H new ATOM 1176 N PRO A 75 6.464 10.093 -5.343 1.00 0.00 N ATOM 1177 CA PRO A 75 5.682 11.313 -5.456 1.00 0.00 C ATOM 1178 C PRO A 75 5.706 11.850 -6.888 1.00 0.00 C ATOM 1179 O PRO A 75 6.448 11.349 -7.731 1.00 0.00 O ATOM 1180 CB PRO A 75 6.302 12.270 -4.451 1.00 0.00 C ATOM 1181 CG PRO A 75 7.687 11.721 -4.151 1.00 0.00 C ATOM 1182 CD PRO A 75 7.749 10.297 -4.681 1.00 0.00 C ATOM 0 HA PRO A 75 4.625 11.158 -5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.362 13.279 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.700 12.328 -3.544 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.452 12.337 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.880 11.738 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.578 10.169 -5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.897 9.580 -3.874 1.00 0.00 H new ATOM 1190 N GLU A 76 4.884 12.863 -7.119 1.00 0.00 N ATOM 1191 CA GLU A 76 4.801 13.474 -8.435 1.00 0.00 C ATOM 1192 C GLU A 76 3.973 12.597 -9.376 1.00 0.00 C ATOM 1193 O GLU A 76 2.814 12.900 -9.654 1.00 0.00 O ATOM 1194 CB GLU A 76 6.196 13.730 -9.009 1.00 0.00 C ATOM 1195 CG GLU A 76 6.398 15.215 -9.317 1.00 0.00 C ATOM 1196 CD GLU A 76 5.240 15.764 -10.153 1.00 0.00 C ATOM 1197 OE1 GLU A 76 4.913 15.198 -11.206 1.00 0.00 O ATOM 1198 OE2 GLU A 76 4.672 16.818 -9.672 1.00 0.00 O ATOM 0 H GLU A 76 4.270 13.276 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 76 4.302 14.438 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.952 13.396 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.332 13.145 -9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.477 15.776 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.337 15.354 -9.853 1.00 0.00 H new ATOM 1206 N GLU A 77 4.601 11.528 -9.843 1.00 0.00 N ATOM 1207 CA GLU A 77 3.936 10.604 -10.747 1.00 0.00 C ATOM 1208 C GLU A 77 4.954 9.645 -11.368 1.00 0.00 C ATOM 1209 O GLU A 77 5.066 9.561 -12.589 1.00 0.00 O ATOM 1210 CB GLU A 77 3.162 11.359 -11.829 1.00 0.00 C ATOM 1211 CG GLU A 77 4.018 12.467 -12.444 1.00 0.00 C ATOM 1212 CD GLU A 77 3.169 13.396 -13.315 1.00 0.00 C ATOM 1213 OE1 GLU A 77 2.187 12.948 -13.925 1.00 0.00 O ATOM 1214 OE2 GLU A 77 3.561 14.625 -13.344 1.00 0.00 O ATOM 0 H GLU A 77 5.563 11.281 -9.613 1.00 0.00 H new ATOM 0 HA GLU A 77 3.217 10.018 -10.174 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.847 10.664 -12.607 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.257 11.789 -11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.498 13.043 -11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.814 12.026 -13.045 1.00 0.00 H new ATOM 1222 N ARG A 78 5.668 8.947 -10.498 1.00 0.00 N ATOM 1223 CA ARG A 78 6.672 7.997 -10.946 1.00 0.00 C ATOM 1224 C ARG A 78 6.803 6.850 -9.943 1.00 0.00 C ATOM 1225 O ARG A 78 6.351 6.961 -8.805 1.00 0.00 O ATOM 1226 CB ARG A 78 8.035 8.675 -11.116 1.00 0.00 C ATOM 1227 CG ARG A 78 7.878 10.088 -11.679 1.00 0.00 C ATOM 1228 CD ARG A 78 9.214 10.833 -11.673 1.00 0.00 C ATOM 1229 NE ARG A 78 9.049 12.164 -11.045 1.00 0.00 N ATOM 1230 CZ ARG A 78 10.071 12.994 -10.753 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.345 12.637 -11.028 1.00 0.00 N ATOM 1232 NH2 ARG A 78 9.809 14.161 -10.193 1.00 0.00 N ATOM 0 H ARG A 78 5.571 9.020 -9.485 1.00 0.00 H new ATOM 0 HA ARG A 78 6.350 7.605 -11.911 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.546 8.718 -10.154 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.660 8.081 -11.783 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.491 10.037 -12.697 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.147 10.640 -11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.960 10.255 -11.128 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.581 10.946 -12.693 1.00 0.00 H new ATOM 0 HE ARG A 78 8.103 12.472 -10.819 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.540 11.734 -11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.112 13.271 -10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.845 14.423 -9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.571 14.800 -9.966 1.00 0.00 H new ATOM 1245 N TYR A 79 7.424 5.773 -10.402 1.00 0.00 N ATOM 1246 CA TYR A 79 7.620 4.605 -9.559 1.00 0.00 C ATOM 1247 C TYR A 79 9.109 4.333 -9.337 1.00 0.00 C ATOM 1248 O TYR A 79 9.853 4.115 -10.291 1.00 0.00 O ATOM 1249 CB TYR A 79 7.006 3.429 -10.320 1.00 0.00 C ATOM 1250 CG TYR A 79 5.548 3.142 -9.953 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.678 4.187 -9.718 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.105 1.839 -9.856 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.307 3.917 -9.373 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.733 1.570 -9.510 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.902 2.622 -9.286 1.00 0.00 C ATOM 1256 OH TYR A 79 1.605 2.368 -8.959 1.00 0.00 O ATOM 0 H TYR A 79 7.798 5.685 -11.347 1.00 0.00 H new ATOM 0 HA TYR A 79 7.162 4.755 -8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.068 3.630 -11.390 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.601 2.536 -10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.026 5.207 -9.793 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.786 1.021 -10.039 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.615 4.725 -9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.373 0.555 -9.430 1.00 0.00 H new ATOM 0 HH TYR A 79 1.528 1.456 -8.609 1.00 0.00 H new ATOM 1266 N MET A 80 9.499 4.353 -8.070 1.00 0.00 N ATOM 1267 CA MET A 80 10.885 4.110 -7.710 1.00 0.00 C ATOM 1268 C MET A 80 11.104 2.646 -7.327 1.00 0.00 C ATOM 1269 O MET A 80 10.432 2.126 -6.436 1.00 0.00 O ATOM 1270 CB MET A 80 11.272 5.010 -6.534 1.00 0.00 C ATOM 1271 CG MET A 80 12.755 4.858 -6.192 1.00 0.00 C ATOM 1272 SD MET A 80 13.515 6.466 -6.039 1.00 0.00 S ATOM 1273 CE MET A 80 14.877 6.276 -7.178 1.00 0.00 C ATOM 0 H MET A 80 8.879 4.534 -7.281 1.00 0.00 H new ATOM 0 HA MET A 80 11.510 4.336 -8.574 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.057 6.050 -6.781 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.667 4.757 -5.663 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.867 4.304 -5.260 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.258 4.281 -6.968 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.171 7.254 -7.560 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.722 5.820 -6.662 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.571 5.639 -8.008 1.00 0.00 H new ATOM 1283 N ASP A 81 12.046 2.020 -8.017 1.00 0.00 N ATOM 1284 CA ASP A 81 12.363 0.627 -7.759 1.00 0.00 C ATOM 1285 C ASP A 81 13.507 0.546 -6.747 1.00 0.00 C ATOM 1286 O ASP A 81 14.045 1.571 -6.331 1.00 0.00 O ATOM 1287 CB ASP A 81 12.812 -0.082 -9.039 1.00 0.00 C ATOM 1288 CG ASP A 81 13.944 0.613 -9.799 1.00 0.00 C ATOM 1289 OD1 ASP A 81 13.704 1.360 -10.759 1.00 0.00 O ATOM 1290 OD2 ASP A 81 15.131 0.358 -9.362 1.00 0.00 O ATOM 0 H ASP A 81 12.600 2.453 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 81 11.465 0.143 -7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.132 -1.092 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.954 -0.178 -9.704 1.00 0.00 H new ATOM 1296 N ASN A 82 13.845 -0.681 -6.381 1.00 0.00 N ATOM 1297 CA ASN A 82 14.916 -0.910 -5.426 1.00 0.00 C ATOM 1298 C ASN A 82 16.189 -1.303 -6.177 1.00 0.00 C ATOM 1299 O ASN A 82 17.235 -1.517 -5.564 1.00 0.00 O ATOM 1300 CB ASN A 82 14.564 -2.046 -4.464 1.00 0.00 C ATOM 1301 CG ASN A 82 15.210 -1.825 -3.094 1.00 0.00 C ATOM 1302 OD1 ASN A 82 16.104 -1.013 -2.925 1.00 0.00 O ATOM 1303 ND2 ASN A 82 14.709 -2.592 -2.130 1.00 0.00 N ATOM 0 H ASN A 82 13.396 -1.528 -6.729 1.00 0.00 H new ATOM 0 HA ASN A 82 15.063 0.009 -4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.482 -2.111 -4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 82 14.900 -2.996 -4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.074 -2.520 -1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.960 -3.252 -2.341 1.00 0.00 H new ATOM 1310 N ASN A 83 16.060 -1.386 -7.492 1.00 0.00 N ATOM 1311 CA ASN A 83 17.187 -1.751 -8.334 1.00 0.00 C ATOM 1312 C ASN A 83 18.100 -0.537 -8.511 1.00 0.00 C ATOM 1313 O ASN A 83 19.137 -0.626 -9.166 1.00 0.00 O ATOM 1314 CB ASN A 83 16.718 -2.197 -9.720 1.00 0.00 C ATOM 1315 CG ASN A 83 17.694 -3.203 -10.333 1.00 0.00 C ATOM 1316 OD1 ASN A 83 18.878 -3.214 -10.042 1.00 0.00 O ATOM 1317 ND2 ASN A 83 17.132 -4.046 -11.195 1.00 0.00 N ATOM 0 H ASN A 83 15.192 -1.207 -7.996 1.00 0.00 H new ATOM 0 HA ASN A 83 17.716 -2.573 -7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.727 -2.645 -9.645 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.627 -1.329 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 83 17.699 -4.756 -11.657 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.134 -3.982 -11.394 1.00 0.00 H new ATOM 1324 N SER A 84 17.682 0.569 -7.915 1.00 0.00 N ATOM 1325 CA SER A 84 18.449 1.800 -7.999 1.00 0.00 C ATOM 1326 C SER A 84 18.083 2.560 -9.275 1.00 0.00 C ATOM 1327 O SER A 84 18.955 3.109 -9.947 1.00 0.00 O ATOM 1328 CB SER A 84 19.952 1.516 -7.962 1.00 0.00 C ATOM 1329 OG SER A 84 20.676 2.551 -7.303 1.00 0.00 O ATOM 0 H SER A 84 16.822 0.639 -7.372 1.00 0.00 H new ATOM 0 HA SER A 84 18.202 2.416 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.129 0.569 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.325 1.405 -8.980 1.00 0.00 H new ATOM 0 HG SER A 84 21.631 2.331 -7.299 1.00 0.00 H new ATOM 1335 N ARG A 85 16.791 2.567 -9.571 1.00 0.00 N ATOM 1336 CA ARG A 85 16.299 3.251 -10.755 1.00 0.00 C ATOM 1337 C ARG A 85 14.920 3.854 -10.485 1.00 0.00 C ATOM 1338 O ARG A 85 14.203 3.400 -9.594 1.00 0.00 O ATOM 1339 CB ARG A 85 16.206 2.293 -11.945 1.00 0.00 C ATOM 1340 CG ARG A 85 17.596 1.950 -12.484 1.00 0.00 C ATOM 1341 CD ARG A 85 17.581 0.616 -13.233 1.00 0.00 C ATOM 1342 NE ARG A 85 18.947 0.051 -13.290 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.851 0.351 -14.247 1.00 0.00 C ATOM 1344 NH1 ARG A 85 19.538 1.214 -15.238 1.00 0.00 N ATOM 1345 NH2 ARG A 85 21.044 -0.213 -14.201 1.00 0.00 N ATOM 0 H ARG A 85 16.071 2.110 -9.012 1.00 0.00 H new ATOM 0 HA ARG A 85 17.005 4.045 -10.997 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.694 1.380 -11.642 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.608 2.746 -12.735 1.00 0.00 H new ATOM 0 HG2 ARG A 85 17.937 2.742 -13.151 1.00 0.00 H new ATOM 0 HG3 ARG A 85 18.307 1.900 -11.660 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.910 -0.083 -12.734 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.196 0.761 -14.243 1.00 0.00 H new ATOM 0 HE ARG A 85 19.223 -0.606 -12.561 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.613 1.644 -15.267 1.00 0.00 H new ATOM 0 HH12 ARG A 85 20.226 1.436 -15.957 1.00 0.00 H new ATOM 0 HH21 ARG A 85 21.271 -0.865 -13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 85 21.738 0.003 -14.916 1.00 0.00 H new ATOM 1358 N LEU A 86 14.588 4.867 -11.272 1.00 0.00 N ATOM 1359 CA LEU A 86 13.306 5.537 -11.130 1.00 0.00 C ATOM 1360 C LEU A 86 12.539 5.446 -12.450 1.00 0.00 C ATOM 1361 O LEU A 86 12.979 5.982 -13.465 1.00 0.00 O ATOM 1362 CB LEU A 86 13.503 6.969 -10.629 1.00 0.00 C ATOM 1363 CG LEU A 86 12.266 7.648 -10.038 1.00 0.00 C ATOM 1364 CD1 LEU A 86 11.404 8.272 -11.139 1.00 0.00 C ATOM 1365 CD2 LEU A 86 11.469 6.676 -9.168 1.00 0.00 C ATOM 0 H LEU A 86 15.185 5.240 -12.010 1.00 0.00 H new ATOM 0 HA LEU A 86 12.698 5.041 -10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.287 6.963 -9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.865 7.577 -11.458 1.00 0.00 H new ATOM 0 HG LEU A 86 12.599 8.459 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.531 8.748 -10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.987 9.018 -11.679 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.079 7.495 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.595 7.185 -8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.146 5.828 -9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.096 6.321 -8.350 1.00 0.00 H new ATOM 1377 N TRP A 87 11.404 4.765 -12.392 1.00 0.00 N ATOM 1378 CA TRP A 87 10.571 4.597 -13.572 1.00 0.00 C ATOM 1379 C TRP A 87 9.506 5.696 -13.558 1.00 0.00 C ATOM 1380 O TRP A 87 8.972 6.034 -12.502 1.00 0.00 O ATOM 1381 CB TRP A 87 9.977 3.189 -13.627 1.00 0.00 C ATOM 1382 CG TRP A 87 11.022 2.071 -13.640 1.00 0.00 C ATOM 1383 CD1 TRP A 87 12.078 1.920 -12.829 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.070 0.950 -14.547 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.800 0.787 -13.145 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.167 0.178 -14.223 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.215 0.599 -15.605 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.510 -0.994 -14.908 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.570 -0.575 -16.281 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.672 -1.364 -15.967 1.00 0.00 C ATOM 0 H TRP A 87 11.041 4.323 -11.547 1.00 0.00 H new ATOM 0 HA TRP A 87 11.164 4.698 -14.481 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.321 3.049 -12.768 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.357 3.102 -14.519 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.332 2.599 -12.029 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.643 0.457 -12.674 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.351 1.188 -15.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.374 -1.581 -14.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.945 -0.890 -17.103 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.880 -2.257 -16.537 1.00 0.00 H new ATOM 1401 N GLN A 88 9.228 6.222 -14.742 1.00 0.00 N ATOM 1402 CA GLN A 88 8.237 7.274 -14.880 1.00 0.00 C ATOM 1403 C GLN A 88 6.920 6.698 -15.402 1.00 0.00 C ATOM 1404 O GLN A 88 6.892 6.054 -16.451 1.00 0.00 O ATOM 1405 CB GLN A 88 8.747 8.392 -15.791 1.00 0.00 C ATOM 1406 CG GLN A 88 7.589 9.244 -16.313 1.00 0.00 C ATOM 1407 CD GLN A 88 7.980 10.723 -16.373 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.144 11.085 -16.341 1.00 0.00 O ATOM 1409 NE2 GLN A 88 6.944 11.553 -16.462 1.00 0.00 N ATOM 0 H GLN A 88 9.673 5.938 -15.615 1.00 0.00 H new ATOM 0 HA GLN A 88 8.056 7.707 -13.896 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.448 9.021 -15.243 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.294 7.962 -16.630 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.299 8.900 -17.306 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.721 9.120 -15.666 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.994 11.182 -16.484 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.100 12.560 -16.508 1.00 0.00 H new ATOM 1418 N ILE A 89 5.860 6.949 -14.649 1.00 0.00 N ATOM 1419 CA ILE A 89 4.542 6.464 -15.023 1.00 0.00 C ATOM 1420 C ILE A 89 4.131 7.095 -16.355 1.00 0.00 C ATOM 1421 O ILE A 89 3.586 8.197 -16.382 1.00 0.00 O ATOM 1422 CB ILE A 89 3.541 6.705 -13.892 1.00 0.00 C ATOM 1423 CG1 ILE A 89 3.991 6.013 -12.604 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.131 6.281 -14.309 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.769 4.501 -12.687 1.00 0.00 C ATOM 0 H ILE A 89 5.887 7.483 -13.780 1.00 0.00 H new ATOM 0 HA ILE A 89 4.561 5.385 -15.174 1.00 0.00 H new ATOM 0 HB ILE A 89 3.508 7.775 -13.687 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.046 6.220 -12.425 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.439 6.419 -11.757 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.438 6.463 -13.487 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.820 6.858 -15.180 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.129 5.220 -14.557 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.097 4.034 -11.759 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.709 4.297 -12.841 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.342 4.094 -13.520 1.00 0.00 H new ATOM 1437 N GLN A 90 4.406 6.368 -17.427 1.00 0.00 N ATOM 1438 CA GLN A 90 4.072 6.843 -18.760 1.00 0.00 C ATOM 1439 C GLN A 90 2.603 7.267 -18.818 1.00 0.00 C ATOM 1440 O GLN A 90 2.286 8.351 -19.305 1.00 0.00 O ATOM 1441 CB GLN A 90 4.378 5.778 -19.814 1.00 0.00 C ATOM 1442 CG GLN A 90 5.422 6.279 -20.813 1.00 0.00 C ATOM 1443 CD GLN A 90 4.754 6.940 -22.020 1.00 0.00 C ATOM 1444 OE1 GLN A 90 3.969 6.339 -22.735 1.00 0.00 O ATOM 1445 NE2 GLN A 90 5.107 8.209 -22.207 1.00 0.00 N ATOM 0 H GLN A 90 4.856 5.453 -17.401 1.00 0.00 H new ATOM 0 HA GLN A 90 4.690 7.713 -18.981 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.741 4.873 -19.327 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.463 5.511 -20.342 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.085 6.993 -20.324 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.041 5.446 -21.146 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.770 8.653 -21.571 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.715 8.738 -22.986 1.00 0.00 H new ATOM 1454 N HIS A 91 1.747 6.391 -18.315 1.00 0.00 N ATOM 1455 CA HIS A 91 0.319 6.661 -18.305 1.00 0.00 C ATOM 1456 C HIS A 91 -0.408 5.555 -17.537 1.00 0.00 C ATOM 1457 O HIS A 91 -0.186 4.372 -17.789 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.210 6.840 -19.729 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.748 5.573 -20.349 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.732 4.725 -19.931 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.264 5.054 -21.537 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -1.844 3.743 -20.817 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -0.934 3.946 -21.814 1.00 0.00 N flip ATOM 0 H HIS A 91 2.014 5.493 -17.911 1.00 0.00 H new ATOM 0 HA HIS A 91 0.127 7.601 -17.787 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.999 7.591 -19.720 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.592 7.227 -20.357 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -2.287 4.828 -19.082 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.526 5.480 -22.137 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.540 2.919 -20.759 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.260 5.980 -16.616 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.019 5.040 -15.809 1.00 0.00 C ATOM 1473 C HIS A 92 -3.517 5.289 -16.004 1.00 0.00 C ATOM 1474 O HIS A 92 -4.036 6.323 -15.587 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.592 5.114 -14.343 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.358 4.184 -13.432 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.462 2.823 -13.430 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -3.129 4.636 -12.375 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.254 2.465 -12.428 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.669 3.587 -11.773 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.442 6.962 -16.411 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.809 4.022 -16.137 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.529 4.881 -14.273 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.718 6.137 -13.990 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.267 5.668 -12.090 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.526 1.451 -12.173 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.287 3.614 -10.962 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.167 4.324 -16.637 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.594 4.426 -16.892 1.00 0.00 C ATOM 1490 C LEU A 93 -6.225 3.035 -16.794 1.00 0.00 C ATOM 1491 O LEU A 93 -5.526 2.045 -16.584 1.00 0.00 O ATOM 1492 CB LEU A 93 -5.851 5.124 -18.228 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.918 4.216 -19.458 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.999 5.041 -20.745 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.747 3.234 -19.479 1.00 0.00 C ATOM 0 H LEU A 93 -3.732 3.468 -16.981 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.073 5.049 -16.136 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.790 5.672 -18.154 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.064 5.861 -18.388 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.832 3.625 -19.397 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.046 4.372 -21.604 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.893 5.664 -20.722 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.116 5.675 -20.827 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.819 2.601 -20.363 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.808 3.788 -19.504 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.777 2.612 -18.584 1.00 0.00 H new ATOM 1507 N MET A 94 -7.541 3.005 -16.951 1.00 0.00 N ATOM 1508 CA MET A 94 -8.274 1.753 -16.882 1.00 0.00 C ATOM 1509 C MET A 94 -9.117 1.541 -18.141 1.00 0.00 C ATOM 1510 O MET A 94 -9.854 2.435 -18.556 1.00 0.00 O ATOM 1511 CB MET A 94 -9.185 1.761 -15.653 1.00 0.00 C ATOM 1512 CG MET A 94 -10.437 0.914 -15.892 1.00 0.00 C ATOM 1513 SD MET A 94 -11.060 0.294 -14.339 1.00 0.00 S ATOM 1514 CE MET A 94 -9.957 -1.086 -14.090 1.00 0.00 C ATOM 0 H MET A 94 -8.118 3.828 -17.126 1.00 0.00 H new ATOM 0 HA MET A 94 -7.555 0.937 -16.807 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.641 1.377 -14.790 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.474 2.785 -15.417 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.202 1.512 -16.387 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.202 0.083 -16.557 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.536 -2.007 -14.018 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.267 -1.156 -14.931 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.393 -0.940 -13.169 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.980 0.355 -18.715 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.720 0.015 -19.918 1.00 0.00 C ATOM 1526 C VAL A 95 -10.315 -1.386 -19.766 1.00 0.00 C ATOM 1527 O VAL A 95 -9.668 -2.286 -19.231 1.00 0.00 O ATOM 1528 CB VAL A 95 -8.815 0.151 -21.144 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -9.470 -0.469 -22.380 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -8.448 1.615 -21.394 1.00 0.00 C ATOM 0 H VAL A 95 -8.367 -0.383 -18.369 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.550 0.706 -20.065 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.894 -0.396 -20.943 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.806 -0.359 -23.237 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.658 -1.528 -22.200 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.413 0.037 -22.584 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.804 1.684 -22.271 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.356 2.194 -21.564 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.922 2.012 -20.526 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.541 -1.529 -20.248 1.00 0.00 N ATOM 1541 CA ARG A 96 -12.231 -2.806 -20.173 1.00 0.00 C ATOM 1542 C ARG A 96 -12.126 -3.384 -18.759 1.00 0.00 C ATOM 1543 O ARG A 96 -11.969 -4.592 -18.589 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.645 -3.807 -21.171 1.00 0.00 C ATOM 1545 CG ARG A 96 -12.197 -3.567 -22.577 1.00 0.00 C ATOM 1546 CD ARG A 96 -13.379 -4.494 -22.867 1.00 0.00 C ATOM 1547 NE ARG A 96 -13.045 -5.404 -23.986 1.00 0.00 N ATOM 1548 CZ ARG A 96 -13.688 -6.565 -24.235 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -14.705 -6.968 -23.445 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -13.306 -7.301 -25.262 1.00 0.00 N ATOM 0 H ARG A 96 -12.074 -0.782 -20.692 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.278 -2.633 -20.421 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.559 -3.720 -21.183 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.880 -4.823 -20.853 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.512 -2.528 -22.676 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.411 -3.733 -23.314 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.625 -5.073 -21.977 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.261 -3.905 -23.117 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.282 -5.137 -24.608 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.993 -6.394 -22.653 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.185 -7.846 -23.640 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.536 -6.990 -25.854 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.781 -8.181 -25.464 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.218 -2.493 -17.783 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.135 -2.899 -16.390 1.00 0.00 C ATOM 1565 C GLY A 97 -10.735 -3.414 -16.052 1.00 0.00 C ATOM 1566 O GLY A 97 -10.565 -4.187 -15.110 1.00 0.00 O ATOM 0 H GLY A 97 -12.349 -1.492 -17.929 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.381 -2.055 -15.746 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.871 -3.678 -16.190 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.768 -2.966 -16.838 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.387 -3.370 -16.633 1.00 0.00 C ATOM 1572 C VAL A 98 -7.507 -2.124 -16.518 1.00 0.00 C ATOM 1573 O VAL A 98 -7.574 -1.232 -17.363 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.946 -4.314 -17.754 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.450 -4.168 -18.035 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.304 -5.763 -17.423 1.00 0.00 C ATOM 0 H VAL A 98 -9.913 -2.326 -17.619 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.286 -3.926 -15.701 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.485 -4.035 -18.659 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.162 -4.849 -18.835 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.235 -3.143 -18.336 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.885 -4.408 -17.134 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.980 -6.413 -18.236 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.805 -6.059 -16.500 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.383 -5.851 -17.296 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.701 -2.103 -15.467 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.808 -0.981 -15.230 1.00 0.00 C ATOM 1588 C GLN A 99 -4.464 -1.217 -15.924 1.00 0.00 C ATOM 1589 O GLN A 99 -3.741 -2.152 -15.582 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.616 -0.739 -13.732 1.00 0.00 C ATOM 1591 CG GLN A 99 -6.799 0.034 -13.147 1.00 0.00 C ATOM 1592 CD GLN A 99 -6.985 -0.289 -11.663 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -6.140 -0.891 -11.022 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.135 0.145 -11.154 1.00 0.00 N ATOM 0 H GLN A 99 -6.647 -2.845 -14.769 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.262 -0.085 -15.654 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.510 -1.693 -13.216 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.694 -0.182 -13.565 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.636 1.104 -13.272 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.708 -0.216 -13.694 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.799 0.643 -11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.352 -0.020 -10.171 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.172 -0.354 -16.886 1.00 0.00 N ATOM 1604 CA GLU A 100 -2.927 -0.457 -17.630 1.00 0.00 C ATOM 1605 C GLU A 100 -1.965 0.655 -17.209 1.00 0.00 C ATOM 1606 O GLU A 100 -2.129 1.807 -17.609 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.186 -0.419 -19.137 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.870 -0.413 -19.918 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.113 -0.687 -21.404 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -1.713 0.120 -22.257 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -2.744 -1.783 -21.660 1.00 0.00 O ATOM 0 H GLU A 100 -4.775 0.419 -17.168 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.464 -1.417 -17.399 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.783 -1.283 -19.429 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.766 0.469 -19.388 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.376 0.551 -19.798 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.198 -1.168 -19.510 1.00 0.00 H new ATOM 1619 N LEU A 101 -0.981 0.272 -16.409 1.00 0.00 N ATOM 1620 CA LEU A 101 0.008 1.222 -15.931 1.00 0.00 C ATOM 1621 C LEU A 101 1.274 1.106 -16.782 1.00 0.00 C ATOM 1622 O LEU A 101 1.882 0.040 -16.857 1.00 0.00 O ATOM 1623 CB LEU A 101 0.255 1.030 -14.433 1.00 0.00 C ATOM 1624 CG LEU A 101 0.643 2.286 -13.651 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.631 2.020 -12.144 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.991 2.833 -14.126 1.00 0.00 C ATOM 0 H LEU A 101 -0.848 -0.684 -16.080 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.359 2.242 -16.042 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.648 0.613 -13.987 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.045 0.289 -14.307 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.104 3.055 -13.848 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.910 2.929 -11.612 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.369 1.712 -11.837 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.343 1.229 -11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.243 3.726 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.763 2.077 -13.979 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.928 3.086 -15.184 1.00 0.00 H new ATOM 1638 N LEU A 102 1.635 2.220 -17.403 1.00 0.00 N ATOM 1639 CA LEU A 102 2.817 2.257 -18.247 1.00 0.00 C ATOM 1640 C LEU A 102 3.992 2.822 -17.447 1.00 0.00 C ATOM 1641 O LEU A 102 3.935 3.954 -16.967 1.00 0.00 O ATOM 1642 CB LEU A 102 2.529 3.022 -19.540 1.00 0.00 C ATOM 1643 CG LEU A 102 1.334 2.529 -20.359 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.576 2.730 -21.856 1.00 0.00 C ATOM 1645 CD2 LEU A 102 1.002 1.074 -20.022 1.00 0.00 C ATOM 0 H LEU A 102 1.129 3.104 -17.338 1.00 0.00 H new ATOM 0 HA LEU A 102 3.096 1.250 -18.556 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.365 4.070 -19.290 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.418 2.980 -20.169 1.00 0.00 H new ATOM 0 HG LEU A 102 0.464 3.128 -20.090 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.712 2.372 -22.416 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.727 3.790 -22.061 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.462 2.172 -22.160 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.149 0.748 -20.618 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.863 0.443 -20.245 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.757 0.993 -18.963 1.00 0.00 H new ATOM 1657 N LEU A 103 5.031 2.009 -17.327 1.00 0.00 N ATOM 1658 CA LEU A 103 6.219 2.414 -16.594 1.00 0.00 C ATOM 1659 C LEU A 103 7.371 2.628 -17.577 1.00 0.00 C ATOM 1660 O LEU A 103 7.633 1.778 -18.427 1.00 0.00 O ATOM 1661 CB LEU A 103 6.534 1.407 -15.486 1.00 0.00 C ATOM 1662 CG LEU A 103 5.669 1.502 -14.227 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.647 0.169 -13.477 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.127 2.655 -13.333 1.00 0.00 C ATOM 0 H LEU A 103 5.075 1.071 -17.725 1.00 0.00 H new ATOM 0 HA LEU A 103 6.050 3.365 -16.089 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.434 0.402 -15.896 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.577 1.531 -15.196 1.00 0.00 H new ATOM 0 HG LEU A 103 4.645 1.718 -14.531 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.026 0.263 -12.586 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.238 -0.606 -14.125 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.662 -0.101 -13.185 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.496 2.700 -12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.163 2.494 -13.034 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.049 3.594 -13.882 1.00 0.00 H new ATOM 1676 N LYS A 104 8.031 3.767 -17.427 1.00 0.00 N ATOM 1677 CA LYS A 104 9.150 4.103 -18.291 1.00 0.00 C ATOM 1678 C LYS A 104 10.405 4.303 -17.438 1.00 0.00 C ATOM 1679 O LYS A 104 10.378 5.035 -16.449 1.00 0.00 O ATOM 1680 CB LYS A 104 8.806 5.307 -19.169 1.00 0.00 C ATOM 1681 CG LYS A 104 9.864 5.513 -20.256 1.00 0.00 C ATOM 1682 CD LYS A 104 9.496 4.751 -21.531 1.00 0.00 C ATOM 1683 CE LYS A 104 9.320 5.708 -22.710 1.00 0.00 C ATOM 1684 NZ LYS A 104 7.925 6.199 -22.774 1.00 0.00 N ATOM 0 H LYS A 104 7.812 4.469 -16.720 1.00 0.00 H new ATOM 0 HA LYS A 104 9.359 3.284 -18.980 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.830 5.158 -19.630 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.734 6.203 -18.552 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.960 6.576 -20.478 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.834 5.174 -19.893 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.274 4.024 -21.762 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.574 4.192 -21.371 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.004 6.550 -22.608 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.576 5.200 -23.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.791 6.752 -23.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.272 5.390 -22.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.731 6.801 -21.948 1.00 0.00 H new ATOM 1697 N LEU A 105 11.474 3.640 -17.851 1.00 0.00 N ATOM 1698 CA LEU A 105 12.736 3.736 -17.137 1.00 0.00 C ATOM 1699 C LEU A 105 13.721 4.568 -17.961 1.00 0.00 C ATOM 1700 O LEU A 105 14.024 4.227 -19.104 1.00 0.00 O ATOM 1701 CB LEU A 105 13.257 2.342 -16.780 1.00 0.00 C ATOM 1702 CG LEU A 105 14.621 2.293 -16.089 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.672 3.264 -14.908 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.972 0.863 -15.670 1.00 0.00 C ATOM 0 H LEU A 105 11.493 3.034 -18.671 1.00 0.00 H new ATOM 0 HA LEU A 105 12.598 4.253 -16.187 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.526 1.857 -16.133 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.314 1.752 -17.695 1.00 0.00 H new ATOM 0 HG LEU A 105 15.378 2.615 -16.804 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.652 3.210 -14.434 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.497 4.279 -15.264 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.903 2.996 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.946 0.856 -15.181 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.216 0.491 -14.978 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.004 0.223 -16.552 1.00 0.00 H new ATOM 1716 N LEU A 106 14.195 5.643 -17.348 1.00 0.00 N ATOM 1717 CA LEU A 106 15.140 6.527 -18.011 1.00 0.00 C ATOM 1718 C LEU A 106 16.563 6.148 -17.597 1.00 0.00 C ATOM 1719 O LEU A 106 16.791 5.719 -16.467 1.00 0.00 O ATOM 1720 CB LEU A 106 14.787 7.990 -17.736 1.00 0.00 C ATOM 1721 CG LEU A 106 13.429 8.462 -18.259 1.00 0.00 C ATOM 1722 CD1 LEU A 106 12.319 8.160 -17.251 1.00 0.00 C ATOM 1723 CD2 LEU A 106 13.472 9.944 -18.637 1.00 0.00 C ATOM 0 H LEU A 106 13.943 5.922 -16.400 1.00 0.00 H new ATOM 0 HA LEU A 106 15.081 6.407 -19.093 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.816 8.154 -16.659 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.562 8.619 -18.175 1.00 0.00 H new ATOM 0 HG LEU A 106 13.200 7.905 -19.167 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.364 8.505 -17.647 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.271 7.086 -17.074 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.530 8.673 -16.313 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.494 10.254 -19.006 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.733 10.536 -17.760 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.219 10.099 -19.415 1.00 0.00 H new ATOM 1735 N PRO A 107 17.508 6.326 -18.559 1.00 0.00 N ATOM 1736 CA PRO A 107 18.902 6.008 -18.305 1.00 0.00 C ATOM 1737 C PRO A 107 19.555 7.071 -17.419 1.00 0.00 C ATOM 1738 O PRO A 107 19.590 8.247 -17.777 1.00 0.00 O ATOM 1739 CB PRO A 107 19.540 5.909 -19.681 1.00 0.00 C ATOM 1740 CG PRO A 107 18.596 6.628 -20.631 1.00 0.00 C ATOM 1741 CD PRO A 107 17.274 6.832 -19.908 1.00 0.00 C ATOM 0 HA PRO A 107 19.027 5.076 -17.754 1.00 0.00 H new ATOM 0 HB2 PRO A 107 20.527 6.371 -19.688 1.00 0.00 H new ATOM 0 HB3 PRO A 107 19.673 4.868 -19.976 1.00 0.00 H new ATOM 0 HG2 PRO A 107 19.017 7.586 -20.935 1.00 0.00 H new ATOM 0 HG3 PRO A 107 18.449 6.043 -21.539 1.00 0.00 H new ATOM 0 HD2 PRO A 107 16.989 7.884 -19.893 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.466 6.290 -20.400 1.00 0.00 H new ATOM 1749 N ASP A 108 20.058 6.619 -16.279 1.00 0.00 N ATOM 1750 CA ASP A 108 20.705 7.516 -15.338 1.00 0.00 C ATOM 1751 C ASP A 108 22.072 7.928 -15.891 1.00 0.00 C ATOM 1752 O ASP A 108 23.078 7.275 -15.618 1.00 0.00 O ATOM 1753 CB ASP A 108 20.928 6.833 -13.988 1.00 0.00 C ATOM 1754 CG ASP A 108 19.919 7.206 -12.901 1.00 0.00 C ATOM 1755 OD1 ASP A 108 18.714 7.333 -13.163 1.00 0.00 O ATOM 1756 OD2 ASP A 108 20.422 7.368 -11.723 1.00 0.00 O ATOM 0 H ASP A 108 20.030 5.642 -15.986 1.00 0.00 H new ATOM 0 HA ASP A 108 20.059 8.383 -15.200 1.00 0.00 H new ATOM 0 HB2 ASP A 108 20.899 5.753 -14.135 1.00 0.00 H new ATOM 0 HB3 ASP A 108 21.929 7.080 -13.634 1.00 0.00 H new ATOM 1762 N ASP A 109 22.064 9.007 -16.659 1.00 0.00 N ATOM 1763 CA ASP A 109 23.289 9.514 -17.251 1.00 0.00 C ATOM 1764 C ASP A 109 23.901 8.435 -18.148 1.00 0.00 C ATOM 1765 O ASP A 109 24.606 7.550 -17.667 1.00 0.00 O ATOM 1766 CB ASP A 109 24.315 9.872 -16.174 1.00 0.00 C ATOM 1767 CG ASP A 109 25.770 9.890 -16.647 1.00 0.00 C ATOM 1768 OD1 ASP A 109 26.554 8.982 -16.339 1.00 0.00 O ATOM 1769 OD2 ASP A 109 26.093 10.907 -17.372 1.00 0.00 O ATOM 0 H ASP A 109 21.227 9.545 -16.885 1.00 0.00 H new ATOM 0 HA ASP A 109 23.042 10.408 -17.824 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.068 10.854 -15.770 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.224 9.158 -15.355 1.00 0.00 H new ATOM 1775 N ARG A 110 23.610 8.546 -19.435 1.00 0.00 N ATOM 1776 CA ARG A 110 24.121 7.590 -20.404 1.00 0.00 C ATOM 1777 C ARG A 110 25.531 7.142 -20.012 1.00 0.00 C ATOM 1778 O ARG A 110 26.390 7.970 -19.715 1.00 0.00 O ATOM 1779 CB ARG A 110 24.156 8.195 -21.808 1.00 0.00 C ATOM 1780 CG ARG A 110 22.744 8.350 -22.375 1.00 0.00 C ATOM 1781 CD ARG A 110 22.572 9.710 -23.053 1.00 0.00 C ATOM 1782 NE ARG A 110 22.763 9.576 -24.515 1.00 0.00 N ATOM 1783 CZ ARG A 110 22.265 10.438 -25.425 1.00 0.00 C ATOM 1784 NH1 ARG A 110 21.538 11.506 -25.033 1.00 0.00 N ATOM 1785 NH2 ARG A 110 22.498 10.220 -26.707 1.00 0.00 N ATOM 0 H ARG A 110 23.027 9.283 -19.830 1.00 0.00 H new ATOM 0 HA ARG A 110 23.451 6.730 -20.409 1.00 0.00 H new ATOM 0 HB2 ARG A 110 24.647 9.167 -21.776 1.00 0.00 H new ATOM 0 HB3 ARG A 110 24.748 7.560 -22.467 1.00 0.00 H new ATOM 0 HG2 ARG A 110 22.547 7.554 -23.093 1.00 0.00 H new ATOM 0 HG3 ARG A 110 22.013 8.244 -21.574 1.00 0.00 H new ATOM 0 HD2 ARG A 110 21.579 10.107 -22.843 1.00 0.00 H new ATOM 0 HD3 ARG A 110 23.292 10.421 -22.648 1.00 0.00 H new ATOM 0 HE ARG A 110 23.305 8.782 -24.855 1.00 0.00 H new ATOM 0 HH11 ARG A 110 21.361 11.666 -24.041 1.00 0.00 H new ATOM 0 HH12 ARG A 110 21.166 12.152 -25.729 1.00 0.00 H new ATOM 0 HH21 ARG A 110 23.047 9.410 -26.995 1.00 0.00 H new ATOM 0 HH22 ARG A 110 22.129 10.862 -27.409 1.00 0.00 H new ATOM 1798 N SER A 111 25.724 5.831 -20.025 1.00 0.00 N ATOM 1799 CA SER A 111 27.015 5.262 -19.675 1.00 0.00 C ATOM 1800 C SER A 111 27.665 4.639 -20.912 1.00 0.00 C ATOM 1801 O SER A 111 27.336 3.515 -21.291 1.00 0.00 O ATOM 1802 CB SER A 111 26.874 4.218 -18.566 1.00 0.00 C ATOM 1803 OG SER A 111 26.198 3.047 -19.018 1.00 0.00 O ATOM 0 H SER A 111 25.009 5.147 -20.272 1.00 0.00 H new ATOM 0 HA SER A 111 27.653 6.064 -19.303 1.00 0.00 H new ATOM 0 HB2 SER A 111 27.863 3.946 -18.196 1.00 0.00 H new ATOM 0 HB3 SER A 111 26.328 4.651 -17.728 1.00 0.00 H new ATOM 0 HG SER A 111 26.589 2.750 -19.866 1.00 0.00 H new ATOM 1809 N PRO A 112 28.599 5.415 -21.524 1.00 0.00 N ATOM 1810 CA PRO A 112 29.298 4.951 -22.710 1.00 0.00 C ATOM 1811 C PRO A 112 30.354 3.903 -22.350 1.00 0.00 C ATOM 1812 O PRO A 112 31.051 4.040 -21.346 1.00 0.00 O ATOM 1813 CB PRO A 112 29.892 6.204 -23.332 1.00 0.00 C ATOM 1814 CG PRO A 112 29.900 7.252 -22.231 1.00 0.00 C ATOM 1815 CD PRO A 112 29.013 6.750 -21.103 1.00 0.00 C ATOM 0 HA PRO A 112 28.639 4.446 -23.416 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.901 6.017 -23.700 1.00 0.00 H new ATOM 0 HB3 PRO A 112 29.298 6.537 -24.184 1.00 0.00 H new ATOM 0 HG2 PRO A 112 30.915 7.421 -21.872 1.00 0.00 H new ATOM 0 HG3 PRO A 112 29.533 8.206 -22.609 1.00 0.00 H new ATOM 0 HD2 PRO A 112 29.555 6.717 -20.158 1.00 0.00 H new ATOM 0 HD3 PRO A 112 28.153 7.403 -20.955 1.00 0.00 H new ATOM 1823 N GLY A 113 30.437 2.881 -23.189 1.00 0.00 N ATOM 1824 CA GLY A 113 31.396 1.811 -22.972 1.00 0.00 C ATOM 1825 C GLY A 113 31.904 1.252 -24.302 1.00 0.00 C ATOM 1826 O GLY A 113 31.115 0.817 -25.140 1.00 0.00 O ATOM 0 H GLY A 113 29.856 2.771 -24.020 1.00 0.00 H new ATOM 0 HA2 GLY A 113 32.236 2.184 -22.386 1.00 0.00 H new ATOM 0 HA3 GLY A 113 30.931 1.014 -22.392 1.00 0.00 H new ATOM 1830 N ILE A 114 33.220 1.283 -24.456 1.00 0.00 N ATOM 1831 CA ILE A 114 33.844 0.785 -25.670 1.00 0.00 C ATOM 1832 C ILE A 114 34.988 -0.160 -25.301 1.00 0.00 C ATOM 1833 O ILE A 114 35.580 -0.035 -24.230 1.00 0.00 O ATOM 1834 CB ILE A 114 34.271 1.948 -26.568 1.00 0.00 C ATOM 1835 CG1 ILE A 114 33.064 2.576 -27.267 1.00 0.00 C ATOM 1836 CG2 ILE A 114 35.345 1.505 -27.564 1.00 0.00 C ATOM 1837 CD1 ILE A 114 32.487 3.725 -26.438 1.00 0.00 C ATOM 0 H ILE A 114 33.871 1.645 -23.760 1.00 0.00 H new ATOM 0 HA ILE A 114 33.130 0.206 -26.255 1.00 0.00 H new ATOM 0 HB ILE A 114 34.714 2.720 -25.939 1.00 0.00 H new ATOM 0 HG12 ILE A 114 33.359 2.944 -28.250 1.00 0.00 H new ATOM 0 HG13 ILE A 114 32.297 1.818 -27.428 1.00 0.00 H new ATOM 0 HG21 ILE A 114 35.631 2.350 -28.190 1.00 0.00 H new ATOM 0 HG22 ILE A 114 36.218 1.144 -27.021 1.00 0.00 H new ATOM 0 HG23 ILE A 114 34.952 0.705 -28.191 1.00 0.00 H new ATOM 0 HD11 ILE A 114 31.630 4.154 -26.957 1.00 0.00 H new ATOM 0 HD12 ILE A 114 32.170 3.349 -25.465 1.00 0.00 H new ATOM 0 HD13 ILE A 114 33.249 4.492 -26.300 1.00 0.00 H new ATOM 1849 N HIS A 115 35.264 -1.087 -26.208 1.00 0.00 N ATOM 1850 CA HIS A 115 36.327 -2.052 -25.990 1.00 0.00 C ATOM 1851 C HIS A 115 36.482 -2.934 -27.231 1.00 0.00 C ATOM 1852 O HIS A 115 35.544 -3.625 -27.626 1.00 0.00 O ATOM 1853 CB HIS A 115 36.074 -2.861 -24.716 1.00 0.00 C ATOM 1854 CG HIS A 115 37.332 -3.252 -23.977 1.00 0.00 C ATOM 1855 ND1 HIS A 115 37.362 -3.466 -22.610 1.00 0.00 N ATOM 1856 CD2 HIS A 115 38.601 -3.466 -24.429 1.00 0.00 C ATOM 1857 CE1 HIS A 115 38.600 -3.792 -22.266 1.00 0.00 C ATOM 1858 NE2 HIS A 115 39.366 -3.791 -23.393 1.00 0.00 N ATOM 0 H HIS A 115 34.770 -1.189 -27.094 1.00 0.00 H new ATOM 0 HA HIS A 115 37.271 -1.529 -25.838 1.00 0.00 H new ATOM 0 HB2 HIS A 115 35.439 -2.279 -24.048 1.00 0.00 H new ATOM 0 HB3 HIS A 115 35.521 -3.764 -24.975 1.00 0.00 H new ATOM 0 HD2 HIS A 115 38.928 -3.385 -25.455 1.00 0.00 H new ATOM 0 HE1 HIS A 115 38.942 -4.019 -21.267 1.00 0.00 H new ATOM 0 HE2 HIS A 115 40.363 -4.005 -23.434 1.00 0.00 H new ATOM 1866 N ARG A 116 37.671 -2.881 -27.811 1.00 0.00 N ATOM 1867 CA ARG A 116 37.960 -3.665 -29.000 1.00 0.00 C ATOM 1868 C ARG A 116 39.440 -4.050 -29.035 1.00 0.00 C ATOM 1869 O ARG A 116 40.306 -3.227 -28.742 1.00 0.00 O ATOM 1870 CB ARG A 116 37.611 -2.887 -30.271 1.00 0.00 C ATOM 1871 CG ARG A 116 37.422 -3.833 -31.458 1.00 0.00 C ATOM 1872 CD ARG A 116 36.769 -3.109 -32.638 1.00 0.00 C ATOM 1873 NE ARG A 116 37.532 -3.373 -33.878 1.00 0.00 N ATOM 1874 CZ ARG A 116 37.507 -4.544 -34.548 1.00 0.00 C ATOM 1875 NH1 ARG A 116 36.755 -5.573 -34.102 1.00 0.00 N ATOM 1876 NH2 ARG A 116 38.228 -4.669 -35.646 1.00 0.00 N ATOM 0 H ARG A 116 38.446 -2.307 -27.480 1.00 0.00 H new ATOM 0 HA ARG A 116 37.348 -4.566 -28.960 1.00 0.00 H new ATOM 0 HB2 ARG A 116 36.699 -2.312 -30.111 1.00 0.00 H new ATOM 0 HB3 ARG A 116 38.403 -2.172 -30.493 1.00 0.00 H new ATOM 0 HG2 ARG A 116 38.387 -4.236 -31.763 1.00 0.00 H new ATOM 0 HG3 ARG A 116 36.803 -4.679 -31.158 1.00 0.00 H new ATOM 0 HD2 ARG A 116 35.739 -3.445 -32.757 1.00 0.00 H new ATOM 0 HD3 ARG A 116 36.734 -2.037 -32.444 1.00 0.00 H new ATOM 0 HE ARG A 116 38.114 -2.622 -34.250 1.00 0.00 H new ATOM 0 HH11 ARG A 116 36.200 -5.469 -33.253 1.00 0.00 H new ATOM 0 HH12 ARG A 116 36.742 -6.455 -34.615 1.00 0.00 H new ATOM 0 HH21 ARG A 116 38.793 -3.887 -35.977 1.00 0.00 H new ATOM 0 HH22 ARG A 116 38.220 -5.548 -36.164 1.00 0.00 H new ATOM 1889 N ASP A 117 39.684 -5.301 -29.396 1.00 0.00 N ATOM 1890 CA ASP A 117 41.045 -5.805 -29.474 1.00 0.00 C ATOM 1891 C ASP A 117 41.026 -7.228 -30.036 1.00 0.00 C ATOM 1892 O ASP A 117 40.407 -8.119 -29.457 1.00 0.00 O ATOM 1893 CB ASP A 117 41.694 -5.852 -28.090 1.00 0.00 C ATOM 1894 CG ASP A 117 43.133 -5.333 -28.033 1.00 0.00 C ATOM 1895 OD1 ASP A 117 43.869 -5.378 -29.030 1.00 0.00 O ATOM 1896 OD2 ASP A 117 43.497 -4.862 -26.888 1.00 0.00 O ATOM 0 H ASP A 117 38.963 -5.981 -29.638 1.00 0.00 H new ATOM 0 HA ASP A 117 41.616 -5.136 -30.118 1.00 0.00 H new ATOM 0 HB2 ASP A 117 41.085 -5.268 -27.400 1.00 0.00 H new ATOM 0 HB3 ASP A 117 41.681 -6.882 -27.734 1.00 0.00 H new TER 1902 ASP A 117