USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 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 21 THR OG1 : rot -65:sc= 1.29 USER MOD Set 1.2: A 100 GLN :FLIP amide:sc= -3.51! F(o=-3.4,f=-2.2!) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0707) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0679 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -9.93! C(o=-9.9!,f=-17!) USER MOD Single : A 15 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.22) USER MOD Single : A 16 ASN : amide:sc= -2.53 K(o=-2.5,f=-5.1!) USER MOD Single : A 28 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.34) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0856 X(o=-0.086,f=-0.45) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= -1.99 (180deg=-3.31!) USER MOD Single : A 42 MET CE :methyl -174:sc= -1.24 (180deg=-1.31) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.34 K(o=-1.3,f=-5.2!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 63 GLN : amide:sc= -0.0534 X(o=-0.053,f=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -19.5! C(o=-20!,f=-19!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= -0.156 (180deg=-0.237) USER MOD Single : A 73 TYR OH : rot -144:sc= -0.209 USER MOD Single : A 79 HIS : no HE2:sc= -4.57! C(o=-4.6!,f=-9.3!) USER MOD Single : A 81 THR OG1 : rot -120:sc= -1.64 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -155:sc= -0.116 (180deg=-0.667) USER MOD Single : A 106 SER OG : rot 180:sc= -0.425 USER MOD Single : A 111 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.2) USER MOD Single : A 119 ASN : amide:sc= -0.273 K(o=-0.27,f=-2!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 8OG O3' : rot -66:sc= -0.145! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.663 -8.159 -2.781 1.00 0.00 N ATOM 2 CA MET A 1 -23.746 -7.419 -1.874 1.00 0.00 C ATOM 3 C MET A 1 -22.599 -6.779 -2.649 1.00 0.00 C ATOM 4 O MET A 1 -22.318 -7.159 -3.786 1.00 0.00 O ATOM 5 CB MET A 1 -23.198 -8.397 -0.831 1.00 0.00 C ATOM 6 CG MET A 1 -24.138 -8.621 0.343 1.00 0.00 C ATOM 7 SD MET A 1 -24.051 -10.302 0.990 1.00 0.00 S ATOM 8 CE MET A 1 -22.334 -10.383 1.493 1.00 0.00 C ATOM 0 H1 MET A 1 -25.597 -7.702 -2.779 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.277 -8.152 -3.747 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.758 -9.141 -2.453 1.00 0.00 H new ATOM 0 HA MET A 1 -24.298 -6.617 -1.385 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.996 -9.354 -1.312 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.246 -8.021 -0.457 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.894 -7.916 1.138 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.160 -8.408 0.031 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.159 -11.308 2.042 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.695 -10.358 0.610 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.102 -9.532 2.133 1.00 0.00 H new ATOM 20 N LYS A 2 -21.941 -5.806 -2.027 1.00 0.00 N ATOM 21 CA LYS A 2 -20.826 -5.112 -2.660 1.00 0.00 C ATOM 22 C LYS A 2 -19.497 -5.756 -2.276 1.00 0.00 C ATOM 23 O LYS A 2 -19.337 -6.258 -1.163 1.00 0.00 O ATOM 24 CB LYS A 2 -20.829 -3.633 -2.264 1.00 0.00 C ATOM 25 CG LYS A 2 -21.128 -2.695 -3.422 1.00 0.00 C ATOM 26 CD LYS A 2 -21.961 -1.503 -2.973 1.00 0.00 C ATOM 27 CE LYS A 2 -23.005 -1.131 -4.013 1.00 0.00 C ATOM 28 NZ LYS A 2 -22.396 -0.475 -5.203 1.00 0.00 N ATOM 0 H LYS A 2 -22.161 -5.481 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.945 -5.190 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.570 -3.477 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.858 -3.377 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.193 -2.343 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.659 -3.238 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.453 -1.736 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.308 -0.650 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -23.540 -2.027 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -23.740 -0.461 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.142 -0.237 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -21.907 0.394 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -21.713 -1.123 -5.645 1.00 0.00 H new ATOM 42 N LYS A 3 -18.546 -5.737 -3.204 1.00 0.00 N ATOM 43 CA LYS A 3 -17.230 -6.319 -2.963 1.00 0.00 C ATOM 44 C LYS A 3 -16.133 -5.445 -3.560 1.00 0.00 C ATOM 45 O LYS A 3 -16.283 -4.908 -4.658 1.00 0.00 O ATOM 46 CB LYS A 3 -17.156 -7.728 -3.551 1.00 0.00 C ATOM 47 CG LYS A 3 -17.706 -7.827 -4.965 1.00 0.00 C ATOM 48 CD LYS A 3 -19.140 -8.330 -4.972 1.00 0.00 C ATOM 49 CE LYS A 3 -19.826 -8.040 -6.297 1.00 0.00 C ATOM 50 NZ LYS A 3 -20.939 -8.992 -6.567 1.00 0.00 N ATOM 0 H LYS A 3 -18.662 -5.325 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.077 -6.377 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.117 -8.059 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.709 -8.411 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.660 -6.849 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.081 -8.499 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.151 -9.403 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.696 -7.858 -4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.214 -7.021 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.096 -8.097 -7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.381 -8.760 -7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.566 -9.962 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.649 -8.919 -5.811 1.00 0.00 H new ATOM 64 N LEU A 4 -15.032 -5.303 -2.829 1.00 0.00 N ATOM 65 CA LEU A 4 -13.913 -4.488 -3.286 1.00 0.00 C ATOM 66 C LEU A 4 -12.580 -5.070 -2.821 1.00 0.00 C ATOM 67 O LEU A 4 -12.357 -5.258 -1.626 1.00 0.00 O ATOM 68 CB LEU A 4 -14.068 -3.054 -2.774 1.00 0.00 C ATOM 69 CG LEU A 4 -13.819 -2.867 -1.276 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.379 -2.447 -1.023 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.784 -1.840 -0.699 1.00 0.00 C ATOM 0 H LEU A 4 -14.891 -5.741 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.918 -4.484 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.379 -2.413 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.076 -2.710 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.992 -3.820 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.220 -2.319 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.704 -3.215 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.179 -1.506 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.593 -1.720 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.642 -0.884 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.809 -2.180 -0.847 1.00 0.00 H new ATOM 83 N GLN A 5 -11.698 -5.353 -3.775 1.00 0.00 N ATOM 84 CA GLN A 5 -10.389 -5.913 -3.463 1.00 0.00 C ATOM 85 C GLN A 5 -9.302 -4.856 -3.541 1.00 0.00 C ATOM 86 O GLN A 5 -9.403 -3.894 -4.303 1.00 0.00 O ATOM 87 CB GLN A 5 -10.050 -7.046 -4.422 1.00 0.00 C ATOM 88 CG GLN A 5 -11.142 -8.088 -4.507 1.00 0.00 C ATOM 89 CD GLN A 5 -10.671 -9.386 -5.132 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.445 -9.461 -6.340 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.520 -10.419 -4.310 1.00 0.00 N ATOM 0 H GLN A 5 -11.867 -5.203 -4.770 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.435 -6.296 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.869 -6.634 -5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.124 -7.522 -4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.523 -8.290 -3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.972 -7.690 -5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.719 -10.312 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.205 -11.318 -4.674 1.00 0.00 H new ATOM 100 N ILE A 6 -8.256 -5.052 -2.755 1.00 0.00 N ATOM 101 CA ILE A 6 -7.134 -4.128 -2.736 1.00 0.00 C ATOM 102 C ILE A 6 -5.819 -4.857 -2.477 1.00 0.00 C ATOM 103 O ILE A 6 -5.705 -5.639 -1.534 1.00 0.00 O ATOM 104 CB ILE A 6 -7.336 -3.008 -1.687 1.00 0.00 C ATOM 105 CG1 ILE A 6 -6.794 -1.684 -2.224 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.675 -3.356 -0.362 1.00 0.00 C ATOM 107 CD1 ILE A 6 -7.691 -1.041 -3.258 1.00 0.00 C ATOM 0 H ILE A 6 -8.161 -5.845 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.086 -3.667 -3.723 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.406 -2.908 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.657 -0.992 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.811 -1.854 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.838 -2.547 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.108 -4.276 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.605 -3.495 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.245 -0.105 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.808 -1.714 -4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.667 -0.839 -2.818 1.00 0.00 H new ATOM 119 N ALA A 7 -4.825 -4.574 -3.305 1.00 0.00 N ATOM 120 CA ALA A 7 -3.510 -5.177 -3.150 1.00 0.00 C ATOM 121 C ALA A 7 -2.478 -4.078 -3.061 1.00 0.00 C ATOM 122 O ALA A 7 -2.422 -3.215 -3.927 1.00 0.00 O ATOM 123 CB ALA A 7 -3.193 -6.121 -4.304 1.00 0.00 C ATOM 0 H ALA A 7 -4.904 -3.930 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.496 -5.771 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.204 -6.555 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.937 -6.917 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.211 -5.567 -5.243 1.00 0.00 H new ATOM 129 N VAL A 8 -1.675 -4.083 -2.014 1.00 0.00 N ATOM 130 CA VAL A 8 -0.683 -3.037 -1.861 1.00 0.00 C ATOM 131 C VAL A 8 0.639 -3.570 -1.343 1.00 0.00 C ATOM 132 O VAL A 8 0.697 -4.597 -0.668 1.00 0.00 O ATOM 133 CB VAL A 8 -1.193 -1.902 -0.935 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.641 -2.135 -0.525 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.308 -1.754 0.298 1.00 0.00 C ATOM 0 H VAL A 8 -1.688 -4.783 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.514 -2.629 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.144 -0.973 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.971 -1.323 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.270 -2.167 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.720 -3.082 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.692 -0.951 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.309 -2.687 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.710 -1.518 -0.011 1.00 0.00 H new ATOM 145 N GLY A 9 1.695 -2.841 -1.661 1.00 0.00 N ATOM 146 CA GLY A 9 3.018 -3.211 -1.227 1.00 0.00 C ATOM 147 C GLY A 9 3.788 -2.014 -0.718 1.00 0.00 C ATOM 148 O GLY A 9 3.996 -1.047 -1.451 1.00 0.00 O ATOM 0 H GLY A 9 1.655 -1.989 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.947 -3.961 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.559 -3.668 -2.055 1.00 0.00 H new ATOM 152 N ILE A 10 4.213 -2.073 0.534 1.00 0.00 N ATOM 153 CA ILE A 10 4.968 -0.974 1.124 1.00 0.00 C ATOM 154 C ILE A 10 6.351 -0.922 0.491 1.00 0.00 C ATOM 155 O ILE A 10 7.179 -1.799 0.728 1.00 0.00 O ATOM 156 CB ILE A 10 5.107 -1.122 2.660 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.975 -1.977 3.243 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.118 0.244 3.322 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.357 -3.426 3.452 1.00 0.00 C ATOM 0 H ILE A 10 4.051 -2.863 1.159 1.00 0.00 H new ATOM 0 HA ILE A 10 4.423 -0.050 0.930 1.00 0.00 H new ATOM 0 HB ILE A 10 6.052 -1.626 2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.663 -1.551 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.114 -1.929 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.216 0.125 4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.959 0.825 2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.187 0.764 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.508 -3.970 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.641 -3.869 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.198 -3.485 4.143 1.00 0.00 H new ATOM 171 N ILE A 11 6.586 0.093 -0.339 1.00 0.00 N ATOM 172 CA ILE A 11 7.866 0.221 -1.035 1.00 0.00 C ATOM 173 C ILE A 11 8.986 0.606 -0.084 1.00 0.00 C ATOM 174 O ILE A 11 8.901 1.602 0.626 1.00 0.00 O ATOM 175 CB ILE A 11 7.831 1.237 -2.199 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.395 1.580 -2.607 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.595 0.676 -3.390 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.314 2.328 -3.918 1.00 0.00 C ATOM 0 H ILE A 11 5.914 0.832 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 11 8.058 -0.767 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 11 8.305 2.158 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.816 0.660 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.935 2.182 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.569 1.394 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.630 0.490 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.134 -0.258 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.271 2.541 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.867 3.264 -3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.746 1.719 -4.712 1.00 0.00 H new ATOM 190 N ARG A 12 10.036 -0.207 -0.087 1.00 0.00 N ATOM 191 CA ARG A 12 11.198 0.013 0.772 1.00 0.00 C ATOM 192 C ARG A 12 12.343 0.649 0.000 1.00 0.00 C ATOM 193 O ARG A 12 12.731 0.156 -1.065 1.00 0.00 O ATOM 194 CB ARG A 12 11.669 -1.310 1.377 1.00 0.00 C ATOM 195 CG ARG A 12 11.168 -1.544 2.790 1.00 0.00 C ATOM 196 CD ARG A 12 12.316 -1.700 3.776 1.00 0.00 C ATOM 197 NE ARG A 12 12.763 -3.086 3.880 1.00 0.00 N ATOM 198 CZ ARG A 12 13.434 -3.574 4.921 1.00 0.00 C ATOM 199 NH1 ARG A 12 13.744 -2.791 5.947 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.798 -4.849 4.936 1.00 0.00 N ATOM 0 H ARG A 12 10.108 -1.033 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 12 10.895 0.693 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.335 -2.130 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.759 -1.332 1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.537 -0.709 3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.546 -2.439 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.150 -1.072 3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.001 -1.346 4.758 1.00 0.00 H new ATOM 0 HE ARG A 12 12.548 -3.718 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.468 -1.809 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.258 -3.171 6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.564 -5.455 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.312 -5.223 5.733 1.00 0.00 H new ATOM 214 N ASN A 13 12.886 1.738 0.554 1.00 0.00 N ATOM 215 CA ASN A 13 14.000 2.445 -0.077 1.00 0.00 C ATOM 216 C ASN A 13 15.345 1.815 0.278 1.00 0.00 C ATOM 217 O ASN A 13 15.413 0.741 0.876 1.00 0.00 O ATOM 218 CB ASN A 13 14.009 3.941 0.273 1.00 0.00 C ATOM 219 CG ASN A 13 14.018 4.222 1.759 1.00 0.00 C ATOM 220 OD1 ASN A 13 12.988 4.135 2.421 1.00 0.00 O ATOM 221 ND2 ASN A 13 15.180 4.589 2.283 1.00 0.00 N ATOM 0 H ASN A 13 12.572 2.146 1.435 1.00 0.00 H new ATOM 0 HA ASN A 13 13.849 2.351 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.885 4.405 -0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.133 4.413 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.244 4.813 3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.010 4.647 1.693 1.00 0.00 H new ATOM 228 N GLU A 14 16.409 2.491 -0.138 1.00 0.00 N ATOM 229 CA GLU A 14 17.782 2.034 0.069 1.00 0.00 C ATOM 230 C GLU A 14 18.262 2.179 1.520 1.00 0.00 C ATOM 231 O GLU A 14 19.431 1.924 1.811 1.00 0.00 O ATOM 232 CB GLU A 14 18.701 2.834 -0.855 1.00 0.00 C ATOM 233 CG GLU A 14 20.179 2.517 -0.694 1.00 0.00 C ATOM 234 CD GLU A 14 20.906 3.540 0.157 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.238 4.235 0.949 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.144 3.647 0.028 1.00 0.00 O ATOM 0 H GLU A 14 16.345 3.380 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 14 17.811 0.969 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.411 2.645 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.547 3.897 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.288 1.531 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.646 2.471 -1.678 1.00 0.00 H new ATOM 243 N ASN A 15 17.385 2.592 2.427 1.00 0.00 N ATOM 244 CA ASN A 15 17.783 2.764 3.825 1.00 0.00 C ATOM 245 C ASN A 15 16.840 2.040 4.784 1.00 0.00 C ATOM 246 O ASN A 15 16.448 2.588 5.814 1.00 0.00 O ATOM 247 CB ASN A 15 17.837 4.253 4.174 1.00 0.00 C ATOM 248 CG ASN A 15 18.572 4.515 5.474 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.991 5.012 6.439 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.858 4.183 5.504 1.00 0.00 N ATOM 0 H ASN A 15 16.409 2.812 2.228 1.00 0.00 H new ATOM 0 HA ASN A 15 18.773 2.322 3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.328 4.795 3.366 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.822 4.643 4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.405 4.338 6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.298 3.773 4.680 1.00 0.00 H new ATOM 257 N ASN A 16 16.483 0.803 4.447 1.00 0.00 N ATOM 258 CA ASN A 16 15.589 0.005 5.288 1.00 0.00 C ATOM 259 C ASN A 16 14.343 0.795 5.687 1.00 0.00 C ATOM 260 O ASN A 16 13.689 0.486 6.683 1.00 0.00 O ATOM 261 CB ASN A 16 16.328 -0.476 6.535 1.00 0.00 C ATOM 262 CG ASN A 16 16.442 -1.987 6.595 1.00 0.00 C ATOM 263 OD1 ASN A 16 16.339 -2.669 5.576 1.00 0.00 O ATOM 264 ND2 ASN A 16 16.656 -2.517 7.793 1.00 0.00 N ATOM 0 H ASN A 16 16.797 0.331 3.599 1.00 0.00 H new ATOM 0 HA ASN A 16 15.266 -0.859 4.706 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.326 -0.038 6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.807 -0.118 7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.742 -3.528 7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.735 -1.913 8.611 1.00 0.00 H new ATOM 271 N GLU A 17 14.017 1.804 4.892 1.00 0.00 N ATOM 272 CA GLU A 17 12.849 2.635 5.135 1.00 0.00 C ATOM 273 C GLU A 17 11.846 2.425 4.014 1.00 0.00 C ATOM 274 O GLU A 17 12.195 1.901 2.959 1.00 0.00 O ATOM 275 CB GLU A 17 13.239 4.109 5.237 1.00 0.00 C ATOM 276 CG GLU A 17 14.026 4.448 6.492 1.00 0.00 C ATOM 277 CD GLU A 17 13.831 5.886 6.935 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.154 6.647 6.211 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.357 6.252 8.008 1.00 0.00 O ATOM 0 H GLU A 17 14.552 2.068 4.065 1.00 0.00 H new ATOM 0 HA GLU A 17 12.398 2.347 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.831 4.380 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.335 4.717 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.723 3.780 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.086 4.268 6.311 1.00 0.00 H new ATOM 286 N ILE A 18 10.598 2.794 4.244 1.00 0.00 N ATOM 287 CA ILE A 18 9.567 2.599 3.238 1.00 0.00 C ATOM 288 C ILE A 18 9.001 3.923 2.717 1.00 0.00 C ATOM 289 O ILE A 18 8.780 4.863 3.479 1.00 0.00 O ATOM 290 CB ILE A 18 8.442 1.714 3.812 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.280 0.435 2.987 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.122 2.471 3.910 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.181 -0.817 3.832 1.00 0.00 C ATOM 0 H ILE A 18 10.275 3.226 5.110 1.00 0.00 H new ATOM 0 HA ILE A 18 10.026 2.099 2.385 1.00 0.00 H new ATOM 0 HB ILE A 18 8.731 1.433 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.385 0.520 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.127 0.340 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.355 1.813 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.245 3.335 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.821 2.807 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.068 -1.686 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.086 -0.926 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.317 -0.743 4.493 1.00 0.00 H new ATOM 305 N PHE A 19 8.764 3.972 1.408 1.00 0.00 N ATOM 306 CA PHE A 19 8.216 5.156 0.760 1.00 0.00 C ATOM 307 C PHE A 19 6.692 5.061 0.667 1.00 0.00 C ATOM 308 O PHE A 19 6.154 4.435 -0.245 1.00 0.00 O ATOM 309 CB PHE A 19 8.829 5.313 -0.642 1.00 0.00 C ATOM 310 CG PHE A 19 7.922 5.963 -1.653 1.00 0.00 C ATOM 311 CD1 PHE A 19 7.757 7.338 -1.679 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.234 5.192 -2.576 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.922 7.930 -2.609 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.398 5.779 -3.507 1.00 0.00 C ATOM 315 CZ PHE A 19 6.242 7.150 -3.523 1.00 0.00 C ATOM 0 H PHE A 19 8.946 3.196 0.772 1.00 0.00 H new ATOM 0 HA PHE A 19 8.467 6.032 1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.742 5.902 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.116 4.328 -1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.285 7.954 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.353 4.119 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.802 9.003 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.868 5.166 -4.221 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.589 7.612 -4.249 1.00 0.00 H new ATOM 325 N ILE A 20 6.003 5.692 1.608 1.00 0.00 N ATOM 326 CA ILE A 20 4.552 5.690 1.620 1.00 0.00 C ATOM 327 C ILE A 20 4.035 7.082 1.276 1.00 0.00 C ATOM 328 O ILE A 20 4.774 8.062 1.363 1.00 0.00 O ATOM 329 CB ILE A 20 3.984 5.267 2.993 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.054 5.351 4.086 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.411 3.861 2.919 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.503 5.184 5.485 1.00 0.00 C ATOM 0 H ILE A 20 6.430 6.213 2.374 1.00 0.00 H new ATOM 0 HA ILE A 20 4.220 4.964 0.878 1.00 0.00 H new ATOM 0 HB ILE A 20 3.184 5.960 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.806 4.583 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.559 6.314 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.015 3.578 3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.610 3.833 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.196 3.163 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.316 5.255 6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.772 5.968 5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.023 4.209 5.573 1.00 0.00 H new ATOM 344 N THR A 21 2.770 7.174 0.891 1.00 0.00 N ATOM 345 CA THR A 21 2.183 8.460 0.544 1.00 0.00 C ATOM 346 C THR A 21 2.007 9.313 1.796 1.00 0.00 C ATOM 347 O THR A 21 1.550 8.826 2.827 1.00 0.00 O ATOM 348 CB THR A 21 0.835 8.262 -0.150 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.094 7.654 0.728 1.00 0.00 O ATOM 350 CG2 THR A 21 0.923 7.403 -1.392 1.00 0.00 C ATOM 0 H THR A 21 2.135 6.380 0.811 1.00 0.00 H new ATOM 0 HA THR A 21 2.856 8.974 -0.142 1.00 0.00 H new ATOM 0 HB THR A 21 0.509 9.260 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.211 6.750 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.068 7.302 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.597 7.870 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.303 6.417 -1.126 1.00 0.00 H new ATOM 358 N ARG A 22 2.383 10.584 1.705 1.00 0.00 N ATOM 359 CA ARG A 22 2.271 11.492 2.842 1.00 0.00 C ATOM 360 C ARG A 22 1.558 12.781 2.448 1.00 0.00 C ATOM 361 O ARG A 22 2.158 13.677 1.854 1.00 0.00 O ATOM 362 CB ARG A 22 3.658 11.815 3.401 1.00 0.00 C ATOM 363 CG ARG A 22 4.101 10.874 4.511 1.00 0.00 C ATOM 364 CD ARG A 22 4.446 11.630 5.785 1.00 0.00 C ATOM 365 NE ARG A 22 5.887 11.815 5.939 1.00 0.00 N ATOM 366 CZ ARG A 22 6.461 12.269 7.052 1.00 0.00 C ATOM 367 NH1 ARG A 22 5.721 12.585 8.108 1.00 0.00 N ATOM 368 NH2 ARG A 22 7.779 12.407 7.108 1.00 0.00 N ATOM 0 H ARG A 22 2.766 11.008 0.860 1.00 0.00 H new ATOM 0 HA ARG A 22 1.680 10.995 3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.386 11.775 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.659 12.837 3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.307 10.156 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.969 10.304 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.955 12.603 5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.056 11.087 6.646 1.00 0.00 H new ATOM 0 HE ARG A 22 6.488 11.583 5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.707 12.481 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.166 12.932 8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.352 12.166 6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.220 12.755 7.960 1.00 0.00 H new ATOM 382 N ARG A 23 0.274 12.869 2.784 1.00 0.00 N ATOM 383 CA ARG A 23 -0.522 14.052 2.468 1.00 0.00 C ATOM 384 C ARG A 23 -0.351 14.460 1.004 1.00 0.00 C ATOM 385 O ARG A 23 -1.023 13.929 0.120 1.00 0.00 O ATOM 386 CB ARG A 23 -0.149 15.207 3.409 1.00 0.00 C ATOM 387 CG ARG A 23 -0.837 16.520 3.070 1.00 0.00 C ATOM 388 CD ARG A 23 -0.898 17.449 4.273 1.00 0.00 C ATOM 389 NE ARG A 23 0.359 17.469 5.018 1.00 0.00 N ATOM 390 CZ ARG A 23 0.470 17.896 6.274 1.00 0.00 C ATOM 391 NH1 ARG A 23 -0.596 18.343 6.926 1.00 0.00 N ATOM 392 NH2 ARG A 23 1.650 17.876 6.879 1.00 0.00 N ATOM 0 H ARG A 23 -0.238 12.136 3.275 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.574 13.808 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.404 14.927 4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.931 15.354 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.303 17.012 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.847 16.320 2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.137 18.459 3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.705 17.133 4.934 1.00 0.00 H new ATOM 0 HE ARG A 23 1.201 17.136 4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.506 18.360 6.465 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.506 18.669 7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.472 17.534 6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.735 18.203 7.841 1.00 0.00 H new ATOM 406 N ALA A 24 0.548 15.399 0.759 1.00 0.00 N ATOM 407 CA ALA A 24 0.812 15.881 -0.593 1.00 0.00 C ATOM 408 C ALA A 24 1.883 16.967 -0.588 1.00 0.00 C ATOM 409 O ALA A 24 2.731 17.022 -1.478 1.00 0.00 O ATOM 410 CB ALA A 24 -0.467 16.402 -1.231 1.00 0.00 C ATOM 0 H ALA A 24 1.112 15.847 1.481 1.00 0.00 H new ATOM 0 HA ALA A 24 1.182 15.043 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.252 16.758 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.203 15.599 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.863 17.223 -0.633 1.00 0.00 H new ATOM 416 N ALA A 25 1.837 17.830 0.422 1.00 0.00 N ATOM 417 CA ALA A 25 2.803 18.915 0.545 1.00 0.00 C ATOM 418 C ALA A 25 2.694 19.594 1.906 1.00 0.00 C ATOM 419 O ALA A 25 3.689 19.748 2.616 1.00 0.00 O ATOM 420 CB ALA A 25 2.601 19.931 -0.570 1.00 0.00 C ATOM 0 H ALA A 25 1.141 17.799 1.167 1.00 0.00 H new ATOM 0 HA ALA A 25 3.803 18.490 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.329 20.735 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.735 19.443 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.594 20.343 -0.509 1.00 0.00 H new ATOM 426 N ASP A 26 1.480 19.998 2.266 1.00 0.00 N ATOM 427 CA ASP A 26 1.241 20.659 3.543 1.00 0.00 C ATOM 428 C ASP A 26 -0.254 20.778 3.823 1.00 0.00 C ATOM 429 O ASP A 26 -0.721 20.435 4.909 1.00 0.00 O ATOM 430 CB ASP A 26 1.885 22.046 3.552 1.00 0.00 C ATOM 431 CG ASP A 26 1.491 22.875 2.345 1.00 0.00 C ATOM 432 OD1 ASP A 26 0.367 23.420 2.341 1.00 0.00 O ATOM 433 OD2 ASP A 26 2.305 22.979 1.404 1.00 0.00 O ATOM 0 H ASP A 26 0.646 19.879 1.691 1.00 0.00 H new ATOM 0 HA ASP A 26 1.692 20.052 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.595 22.572 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.969 21.940 3.578 1.00 0.00 H new ATOM 438 N ALA A 27 -0.999 21.267 2.837 1.00 0.00 N ATOM 439 CA ALA A 27 -2.442 21.431 2.977 1.00 0.00 C ATOM 440 C ALA A 27 -3.191 20.562 1.974 1.00 0.00 C ATOM 441 O ALA A 27 -3.475 20.991 0.855 1.00 0.00 O ATOM 442 CB ALA A 27 -2.826 22.892 2.804 1.00 0.00 C ATOM 0 H ALA A 27 -0.628 21.557 1.932 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.725 21.110 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.905 23.000 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.324 23.492 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.524 23.233 1.814 1.00 0.00 H new ATOM 448 N HIS A 28 -3.509 19.338 2.382 1.00 0.00 N ATOM 449 CA HIS A 28 -4.227 18.407 1.519 1.00 0.00 C ATOM 450 C HIS A 28 -4.698 17.189 2.309 1.00 0.00 C ATOM 451 O HIS A 28 -4.717 17.208 3.540 1.00 0.00 O ATOM 452 CB HIS A 28 -3.333 17.967 0.358 1.00 0.00 C ATOM 453 CG HIS A 28 -4.057 17.859 -0.948 1.00 0.00 C ATOM 454 ND1 HIS A 28 -4.048 16.719 -1.722 1.00 0.00 N ATOM 455 CD2 HIS A 28 -4.819 18.759 -1.615 1.00 0.00 C ATOM 456 CE1 HIS A 28 -4.770 16.922 -2.810 1.00 0.00 C ATOM 457 NE2 HIS A 28 -5.250 18.150 -2.768 1.00 0.00 N ATOM 0 H HIS A 28 -3.281 18.968 3.305 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.103 18.917 1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.513 18.678 0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.888 17.001 0.598 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.045 19.767 -1.299 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -4.938 16.204 -3.599 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.845 18.578 -3.477 1.00 0.00 H new ATOM 466 N MET A 29 -5.077 16.132 1.596 1.00 0.00 N ATOM 467 CA MET A 29 -5.545 14.908 2.234 1.00 0.00 C ATOM 468 C MET A 29 -4.424 14.250 3.035 1.00 0.00 C ATOM 469 O MET A 29 -3.819 13.276 2.590 1.00 0.00 O ATOM 470 CB MET A 29 -6.079 13.931 1.184 1.00 0.00 C ATOM 471 CG MET A 29 -7.557 14.114 0.878 1.00 0.00 C ATOM 472 SD MET A 29 -7.959 13.759 -0.844 1.00 0.00 S ATOM 473 CE MET A 29 -9.065 15.116 -1.220 1.00 0.00 C ATOM 0 H MET A 29 -5.069 16.100 0.577 1.00 0.00 H new ATOM 0 HA MET A 29 -6.352 15.170 2.918 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.508 14.052 0.263 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.912 12.911 1.531 1.00 0.00 H new ATOM 0 HG2 MET A 29 -8.142 13.461 1.526 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.848 15.138 1.111 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.401 15.036 -2.254 1.00 0.00 H new ATOM 0 HE2 MET A 29 -9.927 15.078 -0.554 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.541 16.062 -1.081 1.00 0.00 H new ATOM 483 N ALA A 30 -4.152 14.794 4.217 1.00 0.00 N ATOM 484 CA ALA A 30 -3.104 14.264 5.080 1.00 0.00 C ATOM 485 C ALA A 30 -3.500 12.922 5.689 1.00 0.00 C ATOM 486 O ALA A 30 -2.662 12.215 6.249 1.00 0.00 O ATOM 487 CB ALA A 30 -2.773 15.264 6.179 1.00 0.00 C ATOM 0 H ALA A 30 -4.644 15.602 4.599 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.219 14.100 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.989 14.857 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.429 16.196 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.664 15.456 6.777 1.00 0.00 H new ATOM 493 N ASN A 31 -4.779 12.574 5.582 1.00 0.00 N ATOM 494 CA ASN A 31 -5.272 11.317 6.130 1.00 0.00 C ATOM 495 C ASN A 31 -5.310 10.224 5.063 1.00 0.00 C ATOM 496 O ASN A 31 -6.061 9.255 5.183 1.00 0.00 O ATOM 497 CB ASN A 31 -6.669 11.511 6.723 1.00 0.00 C ATOM 498 CG ASN A 31 -6.904 10.645 7.946 1.00 0.00 C ATOM 499 OD1 ASN A 31 -7.048 11.150 9.060 1.00 0.00 O ATOM 500 ND2 ASN A 31 -6.943 9.333 7.743 1.00 0.00 N ATOM 0 H ASN A 31 -5.490 13.143 5.122 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.585 11.003 6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.804 12.559 6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.418 11.277 5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.097 8.700 8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.819 8.959 6.802 1.00 0.00 H new ATOM 507 N LYS A 32 -4.501 10.383 4.019 1.00 0.00 N ATOM 508 CA LYS A 32 -4.451 9.407 2.935 1.00 0.00 C ATOM 509 C LYS A 32 -3.098 8.711 2.870 1.00 0.00 C ATOM 510 O LYS A 32 -2.678 8.247 1.810 1.00 0.00 O ATOM 511 CB LYS A 32 -4.770 10.073 1.594 1.00 0.00 C ATOM 512 CG LYS A 32 -6.033 9.538 0.936 1.00 0.00 C ATOM 513 CD LYS A 32 -5.761 9.035 -0.473 1.00 0.00 C ATOM 514 CE LYS A 32 -6.905 9.372 -1.416 1.00 0.00 C ATOM 515 NZ LYS A 32 -6.417 9.743 -2.773 1.00 0.00 N ATOM 0 H LYS A 32 -3.872 11.177 3.901 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.207 8.650 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.876 11.147 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.928 9.929 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.443 8.728 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.787 10.324 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.838 9.478 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.611 7.956 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.576 8.516 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.486 10.196 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.228 9.965 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.797 10.575 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.884 8.948 -3.180 1.00 0.00 H new ATOM 529 N LEU A 33 -2.426 8.646 4.007 1.00 0.00 N ATOM 530 CA LEU A 33 -1.117 8.007 4.088 1.00 0.00 C ATOM 531 C LEU A 33 -1.225 6.513 3.795 1.00 0.00 C ATOM 532 O LEU A 33 -1.124 5.685 4.701 1.00 0.00 O ATOM 533 CB LEU A 33 -0.508 8.224 5.476 1.00 0.00 C ATOM 534 CG LEU A 33 1.021 8.191 5.535 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.499 8.276 6.977 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.557 6.932 4.869 1.00 0.00 C ATOM 0 H LEU A 33 -2.764 9.028 4.890 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.469 8.461 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.849 9.187 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.897 7.459 6.148 1.00 0.00 H new ATOM 0 HG LEU A 33 1.404 9.055 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.588 8.251 7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.147 9.206 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.104 7.431 7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.646 6.928 4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.166 6.054 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.244 6.911 3.825 1.00 0.00 H new ATOM 548 N GLU A 34 -1.437 6.173 2.527 1.00 0.00 N ATOM 549 CA GLU A 34 -1.565 4.777 2.128 1.00 0.00 C ATOM 550 C GLU A 34 -0.409 4.338 1.236 1.00 0.00 C ATOM 551 O GLU A 34 0.568 5.065 1.059 1.00 0.00 O ATOM 552 CB GLU A 34 -2.897 4.551 1.409 1.00 0.00 C ATOM 553 CG GLU A 34 -3.571 3.238 1.774 1.00 0.00 C ATOM 554 CD GLU A 34 -4.155 2.527 0.570 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.371 2.005 -0.250 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.398 2.492 0.446 1.00 0.00 O ATOM 0 H GLU A 34 -1.523 6.842 1.762 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.537 4.171 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.572 5.374 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.728 4.576 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.846 2.585 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.363 3.430 2.498 1.00 0.00 H new ATOM 563 N PHE A 35 -0.527 3.131 0.691 1.00 0.00 N ATOM 564 CA PHE A 35 0.509 2.567 -0.170 1.00 0.00 C ATOM 565 C PHE A 35 -0.025 2.270 -1.575 1.00 0.00 C ATOM 566 O PHE A 35 -1.233 2.298 -1.812 1.00 0.00 O ATOM 567 CB PHE A 35 1.081 1.289 0.453 1.00 0.00 C ATOM 568 CG PHE A 35 0.850 1.167 1.936 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.418 0.923 2.440 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.904 1.297 2.823 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.629 0.812 3.801 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.701 1.186 4.185 1.00 0.00 C ATOM 573 CZ PHE A 35 0.432 0.944 4.675 1.00 0.00 C ATOM 0 H PHE A 35 -1.333 2.522 0.831 1.00 0.00 H new ATOM 0 HA PHE A 35 1.302 3.310 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.638 0.426 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.153 1.253 0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.251 0.818 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.898 1.488 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.622 0.622 4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.533 1.288 4.866 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.270 0.858 5.739 1.00 0.00 H new ATOM 583 N PRO A 36 0.884 1.978 -2.526 1.00 0.00 N ATOM 584 CA PRO A 36 0.528 1.670 -3.920 1.00 0.00 C ATOM 585 C PRO A 36 -0.116 0.294 -4.086 1.00 0.00 C ATOM 586 O PRO A 36 -0.070 -0.535 -3.182 1.00 0.00 O ATOM 587 CB PRO A 36 1.872 1.712 -4.648 1.00 0.00 C ATOM 588 CG PRO A 36 2.876 1.368 -3.607 1.00 0.00 C ATOM 589 CD PRO A 36 2.346 1.926 -2.314 1.00 0.00 C ATOM 0 HA PRO A 36 -0.212 2.372 -4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.898 1.001 -5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.062 2.698 -5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.012 0.289 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.849 1.797 -3.847 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.605 1.290 -1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.756 2.915 -2.107 1.00 0.00 H new ATOM 597 N GLY A 37 -0.704 0.062 -5.258 1.00 0.00 N ATOM 598 CA GLY A 37 -1.346 -1.211 -5.547 1.00 0.00 C ATOM 599 C GLY A 37 -2.864 -1.179 -5.432 1.00 0.00 C ATOM 600 O GLY A 37 -3.533 -2.151 -5.757 1.00 0.00 O ATOM 0 H GLY A 37 -0.747 0.740 -6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.075 -1.522 -6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.956 -1.966 -4.865 1.00 0.00 H new ATOM 604 N GLY A 38 -3.407 -0.066 -4.989 1.00 0.00 N ATOM 605 CA GLY A 38 -4.846 0.066 -4.860 1.00 0.00 C ATOM 606 C GLY A 38 -5.563 0.016 -6.200 1.00 0.00 C ATOM 607 O GLY A 38 -5.159 0.702 -7.140 1.00 0.00 O ATOM 0 H GLY A 38 -2.877 0.760 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.224 -0.732 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.077 1.009 -4.364 1.00 0.00 H new ATOM 611 N LYS A 39 -6.635 -0.792 -6.279 1.00 0.00 N ATOM 612 CA LYS A 39 -7.442 -0.942 -7.495 1.00 0.00 C ATOM 613 C LYS A 39 -7.195 -2.280 -8.186 1.00 0.00 C ATOM 614 O LYS A 39 -7.787 -2.559 -9.230 1.00 0.00 O ATOM 615 CB LYS A 39 -7.205 0.192 -8.488 1.00 0.00 C ATOM 616 CG LYS A 39 -8.199 0.189 -9.631 1.00 0.00 C ATOM 617 CD LYS A 39 -8.959 1.505 -9.714 1.00 0.00 C ATOM 618 CE LYS A 39 -9.999 1.620 -8.607 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.377 1.867 -7.274 1.00 0.00 N ATOM 0 H LYS A 39 -6.964 -1.359 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.480 -0.904 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.264 1.146 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.195 0.111 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.675 0.011 -10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.904 -0.632 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.258 2.336 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.449 1.583 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.688 2.432 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.588 0.704 -8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.009 2.463 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.223 0.960 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.465 2.351 -7.401 1.00 0.00 H new ATOM 633 N ILE A 40 -6.336 -3.111 -7.607 1.00 0.00 N ATOM 634 CA ILE A 40 -6.043 -4.423 -8.184 1.00 0.00 C ATOM 635 C ILE A 40 -7.332 -5.160 -8.520 1.00 0.00 C ATOM 636 O ILE A 40 -7.392 -5.967 -9.447 1.00 0.00 O ATOM 637 CB ILE A 40 -5.191 -5.290 -7.236 1.00 0.00 C ATOM 638 CG1 ILE A 40 -6.044 -5.878 -6.101 1.00 0.00 C ATOM 639 CG2 ILE A 40 -4.040 -4.471 -6.679 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.895 -7.378 -5.949 1.00 0.00 C ATOM 0 H ILE A 40 -5.832 -2.904 -6.745 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.471 -4.250 -9.096 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.785 -6.126 -7.806 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.768 -5.396 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.092 -5.642 -6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.443 -5.091 -6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.416 -4.116 -7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.434 -3.617 -6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.525 -7.725 -5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.198 -7.869 -6.873 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.854 -7.620 -5.734 1.00 0.00 H new ATOM 652 N GLU A 41 -8.355 -4.854 -7.738 1.00 0.00 N ATOM 653 CA GLU A 41 -9.676 -5.444 -7.890 1.00 0.00 C ATOM 654 C GLU A 41 -10.064 -5.549 -9.359 1.00 0.00 C ATOM 655 O GLU A 41 -10.324 -6.641 -9.860 1.00 0.00 O ATOM 656 CB GLU A 41 -10.696 -4.593 -7.134 1.00 0.00 C ATOM 657 CG GLU A 41 -10.467 -3.092 -7.288 1.00 0.00 C ATOM 658 CD GLU A 41 -11.575 -2.408 -8.065 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.759 -2.666 -7.765 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.257 -1.613 -8.975 1.00 0.00 O ATOM 0 H GLU A 41 -8.291 -4.183 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.660 -6.453 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.697 -4.838 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.661 -4.852 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.387 -2.638 -6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.516 -2.924 -7.794 1.00 0.00 H new ATOM 667 N MET A 42 -10.086 -4.396 -10.034 1.00 0.00 N ATOM 668 CA MET A 42 -10.427 -4.306 -11.462 1.00 0.00 C ATOM 669 C MET A 42 -10.813 -5.659 -12.062 1.00 0.00 C ATOM 670 O MET A 42 -11.994 -5.948 -12.256 1.00 0.00 O ATOM 671 CB MET A 42 -9.251 -3.715 -12.242 1.00 0.00 C ATOM 672 CG MET A 42 -8.960 -2.264 -11.899 1.00 0.00 C ATOM 673 SD MET A 42 -9.862 -1.108 -12.947 1.00 0.00 S ATOM 674 CE MET A 42 -11.317 -0.807 -11.947 1.00 0.00 C ATOM 0 H MET A 42 -9.868 -3.496 -9.607 1.00 0.00 H new ATOM 0 HA MET A 42 -11.298 -3.655 -11.542 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.360 -4.311 -12.046 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.458 -3.793 -13.309 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.220 -2.082 -10.856 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.890 -2.079 -11.998 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.023 -0.194 -12.507 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.785 -1.757 -11.691 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.029 -0.286 -11.034 1.00 0.00 H new ATOM 684 N GLY A 43 -9.809 -6.483 -12.352 1.00 0.00 N ATOM 685 CA GLY A 43 -10.069 -7.792 -12.926 1.00 0.00 C ATOM 686 C GLY A 43 -8.809 -8.590 -13.174 1.00 0.00 C ATOM 687 O GLY A 43 -8.730 -9.364 -14.129 1.00 0.00 O ATOM 0 H GLY A 43 -8.823 -6.268 -12.200 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.722 -8.353 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.606 -7.670 -13.867 1.00 0.00 H new ATOM 691 N GLU A 44 -7.827 -8.400 -12.315 1.00 0.00 N ATOM 692 CA GLU A 44 -6.553 -9.103 -12.435 1.00 0.00 C ATOM 693 C GLU A 44 -6.475 -10.268 -11.451 1.00 0.00 C ATOM 694 O GLU A 44 -7.445 -10.566 -10.754 1.00 0.00 O ATOM 695 CB GLU A 44 -5.393 -8.138 -12.199 1.00 0.00 C ATOM 696 CG GLU A 44 -5.001 -7.344 -13.435 1.00 0.00 C ATOM 697 CD GLU A 44 -5.980 -6.229 -13.749 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.388 -5.516 -12.808 1.00 0.00 O ATOM 699 OE2 GLU A 44 -6.338 -6.070 -14.934 1.00 0.00 O ATOM 0 H GLU A 44 -7.882 -7.763 -11.521 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.482 -9.505 -13.446 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.664 -7.445 -11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.528 -8.702 -11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.008 -6.919 -13.289 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.937 -8.018 -14.290 1.00 0.00 H new ATOM 706 N THR A 45 -5.316 -10.923 -11.394 1.00 0.00 N ATOM 707 CA THR A 45 -5.121 -12.049 -10.491 1.00 0.00 C ATOM 708 C THR A 45 -4.255 -11.634 -9.309 1.00 0.00 C ATOM 709 O THR A 45 -3.428 -10.734 -9.427 1.00 0.00 O ATOM 710 CB THR A 45 -4.468 -13.220 -11.235 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.404 -12.960 -12.627 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.198 -14.533 -11.051 1.00 0.00 C ATOM 0 H THR A 45 -4.501 -10.691 -11.962 1.00 0.00 H new ATOM 0 HA THR A 45 -6.095 -12.368 -10.119 1.00 0.00 H new ATOM 0 HB THR A 45 -3.472 -13.312 -10.802 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.983 -13.719 -13.082 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.681 -15.317 -11.604 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.221 -14.791 -9.992 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.218 -14.438 -11.424 1.00 0.00 H new ATOM 720 N PRO A 46 -4.417 -12.287 -8.149 1.00 0.00 N ATOM 721 CA PRO A 46 -3.636 -11.978 -6.952 1.00 0.00 C ATOM 722 C PRO A 46 -2.152 -11.775 -7.259 1.00 0.00 C ATOM 723 O PRO A 46 -1.442 -11.102 -6.512 1.00 0.00 O ATOM 724 CB PRO A 46 -3.838 -13.213 -6.053 1.00 0.00 C ATOM 725 CG PRO A 46 -4.630 -14.190 -6.867 1.00 0.00 C ATOM 726 CD PRO A 46 -5.359 -13.379 -7.897 1.00 0.00 C ATOM 0 HA PRO A 46 -3.960 -11.045 -6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.880 -13.639 -5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.368 -12.947 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.977 -14.924 -7.339 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.329 -14.743 -6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.566 -13.956 -8.799 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.317 -13.014 -7.526 1.00 0.00 H new ATOM 734 N GLU A 47 -1.688 -12.369 -8.357 1.00 0.00 N ATOM 735 CA GLU A 47 -0.290 -12.259 -8.753 1.00 0.00 C ATOM 736 C GLU A 47 -0.057 -11.121 -9.752 1.00 0.00 C ATOM 737 O GLU A 47 0.844 -10.305 -9.565 1.00 0.00 O ATOM 738 CB GLU A 47 0.188 -13.581 -9.355 1.00 0.00 C ATOM 739 CG GLU A 47 1.138 -14.352 -8.454 1.00 0.00 C ATOM 740 CD GLU A 47 2.594 -14.081 -8.773 1.00 0.00 C ATOM 741 OE1 GLU A 47 2.885 -13.016 -9.359 1.00 0.00 O ATOM 742 OE2 GLU A 47 3.445 -14.931 -8.438 1.00 0.00 O ATOM 0 H GLU A 47 -2.261 -12.931 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 47 0.284 -12.030 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.678 -14.205 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.684 -13.380 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.942 -14.087 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.941 -15.419 -8.553 1.00 0.00 H new ATOM 749 N GLN A 48 -0.852 -11.078 -10.820 1.00 0.00 N ATOM 750 CA GLN A 48 -0.695 -10.047 -11.844 1.00 0.00 C ATOM 751 C GLN A 48 -1.340 -8.730 -11.430 1.00 0.00 C ATOM 752 O GLN A 48 -0.902 -7.659 -11.845 1.00 0.00 O ATOM 753 CB GLN A 48 -1.293 -10.523 -13.169 1.00 0.00 C ATOM 754 CG GLN A 48 -0.395 -11.483 -13.933 1.00 0.00 C ATOM 755 CD GLN A 48 0.828 -10.799 -14.513 1.00 0.00 C ATOM 756 OE1 GLN A 48 0.818 -9.595 -14.770 1.00 0.00 O ATOM 757 NE2 GLN A 48 1.891 -11.566 -14.723 1.00 0.00 N ATOM 0 H GLN A 48 -1.607 -11.741 -10.998 1.00 0.00 H new ATOM 0 HA GLN A 48 0.374 -9.870 -11.967 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.248 -11.011 -12.973 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.501 -9.656 -13.796 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.077 -12.285 -13.267 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.965 -11.945 -14.739 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.856 -12.560 -14.496 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.743 -11.162 -15.112 1.00 0.00 H new ATOM 766 N ALA A 49 -2.385 -8.812 -10.618 1.00 0.00 N ATOM 767 CA ALA A 49 -3.088 -7.621 -10.160 1.00 0.00 C ATOM 768 C ALA A 49 -2.134 -6.645 -9.482 1.00 0.00 C ATOM 769 O ALA A 49 -2.186 -5.441 -9.732 1.00 0.00 O ATOM 770 CB ALA A 49 -4.224 -8.003 -9.224 1.00 0.00 C ATOM 0 H ALA A 49 -2.765 -9.690 -10.263 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.510 -7.121 -11.031 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.739 -7.102 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.927 -8.650 -9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.821 -8.531 -8.360 1.00 0.00 H new ATOM 776 N VAL A 50 -1.255 -7.168 -8.634 1.00 0.00 N ATOM 777 CA VAL A 50 -0.283 -6.326 -7.942 1.00 0.00 C ATOM 778 C VAL A 50 0.868 -5.969 -8.879 1.00 0.00 C ATOM 779 O VAL A 50 1.252 -4.806 -8.993 1.00 0.00 O ATOM 780 CB VAL A 50 0.277 -6.985 -6.644 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.573 -8.169 -6.205 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.731 -7.411 -6.809 1.00 0.00 C ATOM 0 H VAL A 50 -1.194 -8.161 -8.410 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.812 -5.422 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 50 0.233 -6.225 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.152 -8.602 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.591 -7.833 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.585 -8.921 -6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.084 -7.866 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.808 -8.134 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.342 -6.538 -7.041 1.00 0.00 H new ATOM 792 N VAL A 51 1.411 -6.985 -9.545 1.00 0.00 N ATOM 793 CA VAL A 51 2.518 -6.791 -10.470 1.00 0.00 C ATOM 794 C VAL A 51 2.145 -5.792 -11.555 1.00 0.00 C ATOM 795 O VAL A 51 2.977 -5.001 -12.000 1.00 0.00 O ATOM 796 CB VAL A 51 2.944 -8.123 -11.124 1.00 0.00 C ATOM 797 CG1 VAL A 51 4.142 -7.921 -12.039 1.00 0.00 C ATOM 798 CG2 VAL A 51 3.252 -9.165 -10.059 1.00 0.00 C ATOM 0 H VAL A 51 1.099 -7.952 -9.459 1.00 0.00 H new ATOM 0 HA VAL A 51 3.357 -6.401 -9.894 1.00 0.00 H new ATOM 0 HB VAL A 51 2.114 -8.484 -11.731 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.422 -8.874 -12.487 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.884 -7.212 -12.826 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.980 -7.532 -11.461 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.551 -10.098 -10.538 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.063 -8.808 -9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.364 -9.337 -9.451 1.00 0.00 H new ATOM 808 N ARG A 52 0.886 -5.829 -11.973 1.00 0.00 N ATOM 809 CA ARG A 52 0.404 -4.919 -12.999 1.00 0.00 C ATOM 810 C ARG A 52 0.144 -3.540 -12.409 1.00 0.00 C ATOM 811 O ARG A 52 0.612 -2.530 -12.934 1.00 0.00 O ATOM 812 CB ARG A 52 -0.871 -5.463 -13.647 1.00 0.00 C ATOM 813 CG ARG A 52 -0.626 -6.632 -14.587 1.00 0.00 C ATOM 814 CD ARG A 52 -0.601 -6.183 -16.039 1.00 0.00 C ATOM 815 NE ARG A 52 -0.883 -7.284 -16.958 1.00 0.00 N ATOM 816 CZ ARG A 52 0.020 -8.187 -17.333 1.00 0.00 C ATOM 817 NH1 ARG A 52 1.262 -8.127 -16.871 1.00 0.00 N ATOM 818 NH2 ARG A 52 -0.322 -9.156 -18.172 1.00 0.00 N ATOM 0 H ARG A 52 0.184 -6.478 -11.618 1.00 0.00 H new ATOM 0 HA ARG A 52 1.174 -4.832 -13.766 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.561 -5.776 -12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.359 -4.660 -14.199 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.321 -7.110 -14.336 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.406 -7.380 -14.450 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.335 -5.391 -16.186 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.376 -5.759 -16.270 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.828 -7.365 -17.334 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.530 -7.385 -16.224 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.949 -8.822 -17.163 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.276 -9.208 -18.529 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.369 -9.849 -18.460 1.00 0.00 H new ATOM 832 N GLU A 53 -0.596 -3.508 -11.307 1.00 0.00 N ATOM 833 CA GLU A 53 -0.907 -2.252 -10.640 1.00 0.00 C ATOM 834 C GLU A 53 0.365 -1.591 -10.119 1.00 0.00 C ATOM 835 O GLU A 53 0.399 -0.380 -9.900 1.00 0.00 O ATOM 836 CB GLU A 53 -1.887 -2.486 -9.490 1.00 0.00 C ATOM 837 CG GLU A 53 -3.338 -2.568 -9.938 1.00 0.00 C ATOM 838 CD GLU A 53 -3.832 -1.271 -10.549 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.254 -0.378 -9.785 1.00 0.00 O ATOM 840 OE2 GLU A 53 -3.798 -1.149 -11.791 1.00 0.00 O ATOM 0 H GLU A 53 -0.990 -4.335 -10.859 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.372 -1.586 -11.367 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.620 -3.410 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.784 -1.679 -8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.445 -3.372 -10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.964 -2.825 -9.084 1.00 0.00 H new ATOM 847 N LEU A 54 1.414 -2.391 -9.928 1.00 0.00 N ATOM 848 CA LEU A 54 2.687 -1.872 -9.441 1.00 0.00 C ATOM 849 C LEU A 54 3.197 -0.772 -10.364 1.00 0.00 C ATOM 850 O LEU A 54 3.637 0.280 -9.909 1.00 0.00 O ATOM 851 CB LEU A 54 3.721 -2.998 -9.346 1.00 0.00 C ATOM 852 CG LEU A 54 4.487 -3.062 -8.023 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.848 -4.073 -7.082 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.953 -3.400 -8.269 1.00 0.00 C ATOM 0 H LEU A 54 1.406 -3.396 -10.103 1.00 0.00 H new ATOM 0 HA LEU A 54 2.532 -1.454 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.214 -3.950 -9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.438 -2.882 -10.159 1.00 0.00 H new ATOM 0 HG LEU A 54 4.439 -2.081 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.407 -4.104 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.818 -3.781 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.861 -5.060 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.482 -3.441 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.025 -4.367 -8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.402 -2.633 -8.900 1.00 0.00 H new ATOM 866 N GLN A 55 3.117 -1.021 -11.665 1.00 0.00 N ATOM 867 CA GLN A 55 3.557 -0.046 -12.653 1.00 0.00 C ATOM 868 C GLN A 55 2.631 1.166 -12.651 1.00 0.00 C ATOM 869 O GLN A 55 3.042 2.278 -12.982 1.00 0.00 O ATOM 870 CB GLN A 55 3.590 -0.679 -14.046 1.00 0.00 C ATOM 871 CG GLN A 55 4.065 0.271 -15.135 1.00 0.00 C ATOM 872 CD GLN A 55 3.497 -0.075 -16.497 1.00 0.00 C ATOM 873 OE1 GLN A 55 2.303 0.091 -16.745 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.353 -0.558 -17.390 1.00 0.00 N ATOM 0 H GLN A 55 2.752 -1.888 -12.059 1.00 0.00 H new ATOM 0 HA GLN A 55 4.563 0.281 -12.392 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.245 -1.550 -14.025 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.591 -1.036 -14.297 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.779 1.290 -14.874 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.154 0.248 -15.183 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.335 -0.679 -17.142 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.029 -0.808 -18.324 1.00 0.00 H new ATOM 883 N GLU A 56 1.378 0.937 -12.274 1.00 0.00 N ATOM 884 CA GLU A 56 0.382 1.999 -12.224 1.00 0.00 C ATOM 885 C GLU A 56 0.560 2.871 -10.993 1.00 0.00 C ATOM 886 O GLU A 56 0.371 4.086 -11.051 1.00 0.00 O ATOM 887 CB GLU A 56 -1.024 1.403 -12.214 1.00 0.00 C ATOM 888 CG GLU A 56 -2.133 2.444 -12.179 1.00 0.00 C ATOM 889 CD GLU A 56 -3.516 1.823 -12.199 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.774 0.977 -13.082 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.343 2.182 -11.334 1.00 0.00 O ATOM 0 H GLU A 56 1.027 0.020 -11.997 1.00 0.00 H new ATOM 0 HA GLU A 56 0.518 2.617 -13.111 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.151 0.781 -13.100 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.125 0.749 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.026 3.054 -11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.026 3.112 -13.034 1.00 0.00 H new ATOM 898 N GLU A 57 0.899 2.248 -9.869 1.00 0.00 N ATOM 899 CA GLU A 57 1.064 2.990 -8.631 1.00 0.00 C ATOM 900 C GLU A 57 2.535 3.176 -8.257 1.00 0.00 C ATOM 901 O GLU A 57 2.846 3.722 -7.198 1.00 0.00 O ATOM 902 CB GLU A 57 0.322 2.298 -7.492 1.00 0.00 C ATOM 903 CG GLU A 57 -1.182 2.517 -7.529 1.00 0.00 C ATOM 904 CD GLU A 57 -1.905 1.444 -8.315 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.031 1.600 -9.546 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.344 0.450 -7.701 1.00 0.00 O ATOM 0 H GLU A 57 1.062 1.244 -9.792 1.00 0.00 H new ATOM 0 HA GLU A 57 0.639 3.980 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.527 1.228 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.711 2.662 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.568 2.539 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.393 3.491 -7.971 1.00 0.00 H new ATOM 913 N VAL A 58 3.438 2.747 -9.135 1.00 0.00 N ATOM 914 CA VAL A 58 4.868 2.899 -8.894 1.00 0.00 C ATOM 915 C VAL A 58 5.554 3.420 -10.147 1.00 0.00 C ATOM 916 O VAL A 58 6.390 4.323 -10.085 1.00 0.00 O ATOM 917 CB VAL A 58 5.534 1.577 -8.463 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.937 1.840 -7.940 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.694 0.862 -7.412 1.00 0.00 C ATOM 0 H VAL A 58 3.204 2.292 -10.018 1.00 0.00 H new ATOM 0 HA VAL A 58 4.980 3.612 -8.077 1.00 0.00 H new ATOM 0 HB VAL A 58 5.604 0.928 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.396 0.898 -7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.537 2.302 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.886 2.509 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.185 -0.068 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.586 1.501 -6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.709 0.640 -7.823 1.00 0.00 H new ATOM 929 N GLY A 59 5.177 2.853 -11.289 1.00 0.00 N ATOM 930 CA GLY A 59 5.735 3.270 -12.563 1.00 0.00 C ATOM 931 C GLY A 59 7.200 2.931 -12.746 1.00 0.00 C ATOM 932 O GLY A 59 7.638 2.623 -13.854 1.00 0.00 O ATOM 0 H GLY A 59 4.487 2.104 -11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.164 2.804 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.608 4.348 -12.666 1.00 0.00 H new ATOM 936 N ILE A 60 7.954 2.994 -11.670 1.00 0.00 N ATOM 937 CA ILE A 60 9.379 2.700 -11.716 1.00 0.00 C ATOM 938 C ILE A 60 9.619 1.197 -11.769 1.00 0.00 C ATOM 939 O ILE A 60 8.712 0.410 -11.509 1.00 0.00 O ATOM 940 CB ILE A 60 10.115 3.289 -10.485 1.00 0.00 C ATOM 941 CG1 ILE A 60 11.632 3.275 -10.691 1.00 0.00 C ATOM 942 CG2 ILE A 60 9.746 2.525 -9.218 1.00 0.00 C ATOM 943 CD1 ILE A 60 12.074 3.870 -12.012 1.00 0.00 C ATOM 0 H ILE A 60 7.606 3.247 -10.745 1.00 0.00 H new ATOM 0 HA ILE A 60 9.775 3.163 -12.620 1.00 0.00 H new ATOM 0 HB ILE A 60 9.796 4.325 -10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 60 12.105 3.826 -9.878 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.989 2.247 -10.629 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.274 2.955 -8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.671 2.595 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.029 1.478 -9.329 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.161 3.825 -12.086 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.631 3.305 -12.832 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.749 4.909 -12.070 1.00 0.00 H new ATOM 955 N THR A 61 10.848 0.811 -12.096 1.00 0.00 N ATOM 956 CA THR A 61 11.229 -0.584 -12.167 1.00 0.00 C ATOM 957 C THR A 61 12.003 -0.948 -10.906 1.00 0.00 C ATOM 958 O THR A 61 13.221 -0.779 -10.850 1.00 0.00 O ATOM 959 CB THR A 61 12.104 -0.800 -13.392 1.00 0.00 C ATOM 960 OG1 THR A 61 12.733 0.413 -13.774 1.00 0.00 O ATOM 961 CG2 THR A 61 11.340 -1.312 -14.591 1.00 0.00 C ATOM 0 H THR A 61 11.603 1.460 -12.318 1.00 0.00 H new ATOM 0 HA THR A 61 10.343 -1.214 -12.244 1.00 0.00 H new ATOM 0 HB THR A 61 12.834 -1.554 -13.097 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.294 0.257 -14.562 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.024 -1.444 -15.429 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.877 -2.268 -14.346 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.567 -0.594 -14.863 1.00 0.00 H new ATOM 969 N PRO A 62 11.302 -1.382 -9.851 1.00 0.00 N ATOM 970 CA PRO A 62 11.894 -1.687 -8.571 1.00 0.00 C ATOM 971 C PRO A 62 11.822 -3.148 -8.177 1.00 0.00 C ATOM 972 O PRO A 62 10.851 -3.836 -8.497 1.00 0.00 O ATOM 973 CB PRO A 62 10.932 -0.905 -7.691 1.00 0.00 C ATOM 974 CG PRO A 62 9.589 -1.186 -8.299 1.00 0.00 C ATOM 975 CD PRO A 62 9.846 -1.534 -9.751 1.00 0.00 C ATOM 0 HA PRO A 62 12.958 -1.454 -8.524 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.979 -1.235 -6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.160 0.161 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.093 -2.008 -7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.935 -0.318 -8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.525 -2.548 -9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.319 -0.864 -10.430 1.00 0.00 H new ATOM 983 N GLN A 63 12.803 -3.604 -7.406 1.00 0.00 N ATOM 984 CA GLN A 63 12.754 -4.959 -6.903 1.00 0.00 C ATOM 985 C GLN A 63 11.718 -4.941 -5.795 1.00 0.00 C ATOM 986 O GLN A 63 12.040 -4.831 -4.612 1.00 0.00 O ATOM 987 CB GLN A 63 14.117 -5.401 -6.371 1.00 0.00 C ATOM 988 CG GLN A 63 15.158 -5.599 -7.460 1.00 0.00 C ATOM 989 CD GLN A 63 16.540 -5.881 -6.903 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.514 -5.220 -7.263 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.631 -6.867 -6.019 1.00 0.00 N ATOM 0 H GLN A 63 13.622 -3.065 -7.124 1.00 0.00 H new ATOM 0 HA GLN A 63 12.493 -5.668 -7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.481 -4.656 -5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.998 -6.334 -5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.854 -6.426 -8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.198 -4.707 -8.086 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.797 -7.389 -5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.535 -7.103 -5.609 1.00 0.00 H new ATOM 1000 N HIS A 64 10.464 -4.980 -6.214 1.00 0.00 N ATOM 1001 CA HIS A 64 9.334 -4.898 -5.306 1.00 0.00 C ATOM 1002 C HIS A 64 8.432 -6.103 -5.472 1.00 0.00 C ATOM 1003 O HIS A 64 8.022 -6.434 -6.585 1.00 0.00 O ATOM 1004 CB HIS A 64 8.587 -3.588 -5.610 1.00 0.00 C ATOM 1005 CG HIS A 64 7.156 -3.499 -5.134 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.205 -4.447 -4.919 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.548 -2.291 -4.849 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 5.065 -3.798 -4.517 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.297 -2.502 -4.483 1.00 0.00 N flip ATOM 0 H HIS A 64 10.201 -5.070 -7.196 1.00 0.00 H new ATOM 0 HA HIS A 64 9.671 -4.897 -4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.146 -2.766 -5.164 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.597 -3.432 -6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.023 -1.323 -4.915 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.128 -4.274 -4.268 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.624 -1.783 -4.219 1.00 0.00 H new ATOM 1018 N PHE A 65 8.137 -6.769 -4.363 1.00 0.00 N ATOM 1019 CA PHE A 65 7.298 -7.949 -4.395 1.00 0.00 C ATOM 1020 C PHE A 65 7.098 -8.510 -2.978 1.00 0.00 C ATOM 1021 O PHE A 65 6.824 -7.759 -2.045 1.00 0.00 O ATOM 1022 CB PHE A 65 7.960 -8.975 -5.312 1.00 0.00 C ATOM 1023 CG PHE A 65 6.991 -9.849 -6.058 1.00 0.00 C ATOM 1024 CD1 PHE A 65 5.804 -10.262 -5.471 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.266 -10.252 -7.355 1.00 0.00 C ATOM 1026 CE1 PHE A 65 4.913 -11.060 -6.164 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.379 -11.048 -8.053 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.201 -11.453 -7.457 1.00 0.00 C ATOM 0 H PHE A 65 8.468 -6.509 -3.434 1.00 0.00 H new ATOM 0 HA PHE A 65 6.309 -7.700 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.588 -8.451 -6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.618 -9.607 -4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.573 -9.957 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.186 -9.940 -7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.993 -11.376 -5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.606 -11.353 -9.064 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.506 -12.076 -8.001 1.00 0.00 H new ATOM 1038 N SER A 66 7.240 -9.827 -2.824 1.00 0.00 N ATOM 1039 CA SER A 66 7.090 -10.486 -1.531 1.00 0.00 C ATOM 1040 C SER A 66 5.739 -10.187 -0.896 1.00 0.00 C ATOM 1041 O SER A 66 5.025 -9.283 -1.326 1.00 0.00 O ATOM 1042 CB SER A 66 8.216 -10.061 -0.587 1.00 0.00 C ATOM 1043 OG SER A 66 8.584 -11.121 0.277 1.00 0.00 O ATOM 0 H SER A 66 7.461 -10.463 -3.590 1.00 0.00 H new ATOM 0 HA SER A 66 7.146 -11.561 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.082 -9.744 -1.168 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.896 -9.202 0.002 1.00 0.00 H new ATOM 0 HG SER A 66 9.306 -10.825 0.869 1.00 0.00 H new ATOM 1049 N LEU A 67 5.397 -10.955 0.133 1.00 0.00 N ATOM 1050 CA LEU A 67 4.133 -10.780 0.835 1.00 0.00 C ATOM 1051 C LEU A 67 4.355 -10.649 2.339 1.00 0.00 C ATOM 1052 O LEU A 67 4.725 -11.614 3.008 1.00 0.00 O ATOM 1053 CB LEU A 67 3.197 -11.958 0.548 1.00 0.00 C ATOM 1054 CG LEU A 67 1.894 -11.963 1.352 1.00 0.00 C ATOM 1055 CD1 LEU A 67 0.798 -12.698 0.594 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.115 -12.595 2.719 1.00 0.00 C ATOM 0 H LEU A 67 5.981 -11.707 0.500 1.00 0.00 H new ATOM 0 HA LEU A 67 3.673 -9.861 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.951 -11.956 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.733 -12.885 0.749 1.00 0.00 H new ATOM 0 HG LEU A 67 1.576 -10.931 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.119 -12.690 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.621 -12.203 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.106 -13.728 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.179 -12.591 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.458 -13.622 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.867 -12.026 3.266 1.00 0.00 H new ATOM 1068 N PHE A 68 4.115 -9.452 2.866 1.00 0.00 N ATOM 1069 CA PHE A 68 4.277 -9.200 4.293 1.00 0.00 C ATOM 1070 C PHE A 68 3.094 -9.784 5.059 1.00 0.00 C ATOM 1071 O PHE A 68 3.263 -10.440 6.088 1.00 0.00 O ATOM 1072 CB PHE A 68 4.415 -7.687 4.547 1.00 0.00 C ATOM 1073 CG PHE A 68 3.586 -7.152 5.689 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.218 -6.976 5.548 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.177 -6.820 6.897 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.457 -6.479 6.587 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.420 -6.323 7.942 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.058 -6.152 7.787 1.00 0.00 C ATOM 0 H PHE A 68 3.808 -8.643 2.327 1.00 0.00 H new ATOM 0 HA PHE A 68 5.186 -9.686 4.648 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.463 -7.461 4.742 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.138 -7.155 3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.741 -7.231 4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.241 -6.951 7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.393 -6.346 6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.893 -6.069 8.879 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.465 -5.764 8.602 1.00 0.00 H new ATOM 1088 N GLU A 69 1.896 -9.539 4.541 1.00 0.00 N ATOM 1089 CA GLU A 69 0.675 -10.034 5.158 1.00 0.00 C ATOM 1090 C GLU A 69 -0.520 -9.782 4.246 1.00 0.00 C ATOM 1091 O GLU A 69 -0.487 -8.894 3.396 1.00 0.00 O ATOM 1092 CB GLU A 69 0.450 -9.362 6.514 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.143 -10.289 7.561 1.00 0.00 C ATOM 1094 CD GLU A 69 0.188 -9.859 8.977 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.484 -8.939 9.489 1.00 0.00 O ATOM 1096 OE2 GLU A 69 1.117 -10.442 9.573 1.00 0.00 O ATOM 0 H GLU A 69 1.746 -8.997 3.690 1.00 0.00 H new ATOM 0 HA GLU A 69 0.779 -11.108 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.401 -8.975 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.213 -8.507 6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.226 -10.323 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.228 -11.301 7.397 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.574 -10.563 4.424 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.776 -10.409 3.617 1.00 0.00 C ATOM 1105 C LYS A 70 -4.020 -10.665 4.460 1.00 0.00 C ATOM 1106 O LYS A 70 -4.338 -11.812 4.777 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.744 -11.367 2.423 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.362 -12.790 2.795 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.116 -13.808 1.953 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.259 -14.328 0.809 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.404 -13.495 -0.416 1.00 0.00 N ATOM 0 H LYS A 70 -1.622 -11.309 5.118 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.811 -9.385 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.725 -11.375 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.036 -10.991 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.289 -12.927 2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.574 -12.961 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.430 -14.641 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.021 -13.352 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.213 -14.343 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.540 -15.357 0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.730 -13.820 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.373 -13.582 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.210 -12.500 -0.184 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.716 -9.597 4.830 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.917 -9.715 5.644 1.00 0.00 C ATOM 1127 C LEU A 71 -7.172 -9.696 4.777 1.00 0.00 C ATOM 1128 O LEU A 71 -7.295 -8.883 3.861 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.967 -8.579 6.668 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.256 -8.498 7.484 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.124 -9.299 8.770 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.605 -7.050 7.789 1.00 0.00 C ATOM 0 H LEU A 71 -4.469 -8.640 4.579 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.882 -10.670 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.128 -8.692 7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.826 -7.633 6.145 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.065 -8.928 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.051 -9.230 9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.923 -10.343 8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.303 -8.899 9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.526 -7.012 8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.796 -6.593 8.360 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.743 -6.505 6.855 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.104 -10.596 5.076 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.350 -10.681 4.331 1.00 0.00 C ATOM 1146 C GLU A 72 -10.548 -10.625 5.278 1.00 0.00 C ATOM 1147 O GLU A 72 -10.809 -11.570 6.023 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.376 -11.974 3.505 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.770 -12.420 3.096 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.799 -13.057 1.720 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.934 -13.914 1.445 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.688 -12.699 0.919 1.00 0.00 O ATOM 0 H GLU A 72 -8.017 -11.277 5.831 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.414 -9.829 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.774 -11.832 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.906 -12.771 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.150 -13.131 3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.441 -11.561 3.109 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.273 -9.513 5.236 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.447 -9.326 6.080 1.00 0.00 C ATOM 1161 C TYR A 73 -13.547 -8.604 5.310 1.00 0.00 C ATOM 1162 O TYR A 73 -13.306 -7.557 4.714 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.080 -8.532 7.335 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.546 -7.148 7.040 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.336 -6.976 6.379 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.252 -6.015 7.422 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.846 -5.712 6.107 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.767 -4.748 7.154 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.565 -4.603 6.497 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.079 -3.344 6.228 1.00 0.00 O ATOM 0 H TYR A 73 -11.067 -8.724 4.623 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.814 -10.308 6.379 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.961 -8.445 7.970 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.333 -9.088 7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.769 -7.843 6.073 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.195 -6.125 7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.904 -5.594 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.328 -3.877 7.458 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.300 -2.743 6.969 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.750 -9.164 5.319 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.870 -8.555 4.608 1.00 0.00 C ATOM 1182 C GLU A 74 -16.971 -8.120 5.566 1.00 0.00 C ATOM 1183 O GLU A 74 -17.417 -8.892 6.415 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.441 -9.524 3.570 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.712 -10.915 4.116 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.879 -11.949 3.019 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.830 -11.818 2.220 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.060 -12.889 2.960 1.00 0.00 O ATOM 0 H GLU A 74 -14.976 -10.031 5.806 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.489 -7.669 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.369 -9.112 3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.744 -9.600 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.891 -11.212 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.613 -10.892 4.729 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.415 -6.880 5.404 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.474 -6.325 6.224 1.00 0.00 C ATOM 1197 C PHE A 75 -19.808 -6.972 5.863 1.00 0.00 C ATOM 1198 O PHE A 75 -19.936 -7.592 4.807 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.546 -4.810 6.030 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.866 -4.025 7.117 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.482 -3.965 7.181 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -18.608 -3.347 8.071 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.852 -3.244 8.177 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.982 -2.623 9.068 1.00 0.00 C ATOM 1205 CZ PHE A 75 -16.603 -2.572 9.122 1.00 0.00 C ATOM 0 H PHE A 75 -17.050 -6.236 4.702 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.259 -6.533 7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -18.093 -4.554 5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.592 -4.509 5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.890 -4.488 6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -19.687 -3.385 8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.773 -3.206 8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -18.571 -2.097 9.805 1.00 0.00 H new ATOM 0 HZ PHE A 75 -16.113 -2.008 9.902 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.824 -6.839 6.734 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.159 -7.405 6.516 1.00 0.00 C ATOM 1217 C PRO A 76 -22.612 -7.321 5.065 1.00 0.00 C ATOM 1218 O PRO A 76 -23.382 -8.157 4.590 1.00 0.00 O ATOM 1219 CB PRO A 76 -23.062 -6.544 7.422 1.00 0.00 C ATOM 1220 CG PRO A 76 -22.156 -5.539 8.071 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.774 -6.117 8.002 1.00 0.00 C ATOM 0 HA PRO A 76 -22.188 -8.470 6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.841 -6.050 6.841 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.564 -7.158 8.170 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -22.204 -4.581 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.451 -5.359 9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -20.005 -5.344 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.563 -6.778 8.843 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.123 -6.313 4.373 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.459 -6.104 2.968 1.00 0.00 C ATOM 1231 C ASP A 77 -21.232 -5.663 2.171 1.00 0.00 C ATOM 1232 O ASP A 77 -21.045 -6.070 1.025 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.568 -5.057 2.839 1.00 0.00 C ATOM 1234 CG ASP A 77 -23.204 -3.743 3.502 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -22.298 -3.051 2.993 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -23.825 -3.406 4.532 1.00 0.00 O ATOM 0 H ASP A 77 -21.486 -5.617 4.759 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.811 -7.052 2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.778 -4.882 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.483 -5.445 3.286 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.406 -4.825 2.787 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.200 -4.317 2.143 1.00 0.00 C ATOM 1243 C ARG A 78 -18.039 -5.303 2.282 1.00 0.00 C ATOM 1244 O ARG A 78 -17.382 -5.360 3.320 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.821 -2.969 2.761 1.00 0.00 C ATOM 1246 CG ARG A 78 -18.041 -2.060 1.825 1.00 0.00 C ATOM 1247 CD ARG A 78 -18.251 -0.594 2.173 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.183 -0.070 3.025 1.00 0.00 N ATOM 1249 CZ ARG A 78 -17.169 -0.175 4.354 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -18.156 -0.793 4.990 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -16.163 0.340 5.049 1.00 0.00 N ATOM 0 H ARG A 78 -20.551 -4.481 3.736 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.404 -4.190 1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.730 -2.456 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.228 -3.146 3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.979 -2.301 1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.354 -2.240 0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.302 -0.008 1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.209 -0.476 2.680 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.401 0.405 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -18.932 -1.192 4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -18.138 -0.869 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.401 0.816 4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.152 0.260 6.066 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.785 -6.076 1.229 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.700 -7.052 1.246 1.00 0.00 C ATOM 1267 C HIS A 79 -15.388 -6.406 0.814 1.00 0.00 C ATOM 1268 O HIS A 79 -15.216 -6.047 -0.351 1.00 0.00 O ATOM 1269 CB HIS A 79 -17.032 -8.234 0.331 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.974 -9.293 0.311 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -16.239 -10.626 0.544 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -14.641 -9.211 0.081 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -15.116 -11.318 0.462 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.132 -10.483 0.181 1.00 0.00 N ATOM 0 H HIS A 79 -18.313 -6.046 0.357 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.586 -7.418 2.266 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.973 -8.679 0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -17.185 -7.866 -0.683 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -17.159 -11.017 0.748 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -14.083 -8.313 -0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -15.019 -12.385 0.601 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.466 -6.255 1.760 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.176 -5.650 1.482 1.00 0.00 C ATOM 1285 C ILE A 80 -12.048 -6.659 1.674 1.00 0.00 C ATOM 1286 O ILE A 80 -12.032 -7.414 2.647 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.929 -4.426 2.394 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.467 -3.987 2.325 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.315 -4.745 3.831 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.137 -2.831 3.244 1.00 0.00 C ATOM 0 H ILE A 80 -14.593 -6.546 2.729 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.188 -5.322 0.443 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.553 -3.606 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.830 -4.834 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.229 -3.704 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.134 -3.872 4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.371 -5.010 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.716 -5.581 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.083 -2.574 3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.748 -1.969 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.342 -3.116 4.276 1.00 0.00 H new ATOM 1302 N THR A 81 -11.096 -6.650 0.752 1.00 0.00 N ATOM 1303 CA THR A 81 -9.951 -7.546 0.827 1.00 0.00 C ATOM 1304 C THR A 81 -8.667 -6.731 0.904 1.00 0.00 C ATOM 1305 O THR A 81 -8.356 -5.964 -0.008 1.00 0.00 O ATOM 1306 CB THR A 81 -9.919 -8.475 -0.389 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.960 -8.154 -1.297 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.063 -9.938 -0.028 1.00 0.00 C ATOM 0 H THR A 81 -11.094 -6.031 -0.058 1.00 0.00 H new ATOM 0 HA THR A 81 -10.039 -8.159 1.724 1.00 0.00 H new ATOM 0 HB THR A 81 -8.939 -8.322 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.546 -8.931 -1.410 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.032 -10.541 -0.935 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.246 -10.232 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.014 -10.095 0.480 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.927 -6.885 1.997 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.686 -6.143 2.180 1.00 0.00 C ATOM 1318 C LEU A 82 -5.469 -7.046 2.015 1.00 0.00 C ATOM 1319 O LEU A 82 -5.236 -7.943 2.824 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.665 -5.490 3.567 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.590 -3.959 3.578 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -5.506 -3.454 2.633 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.940 -3.359 3.213 1.00 0.00 C ATOM 0 H LEU A 82 -8.164 -7.513 2.765 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.641 -5.370 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.562 -5.796 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.811 -5.882 4.120 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.328 -3.641 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.476 -2.365 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.539 -3.852 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.726 -3.784 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.870 -2.271 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.229 -3.693 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.689 -3.683 3.935 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.688 -6.791 0.969 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.485 -7.574 0.711 1.00 0.00 C ATOM 1337 C TRP A 83 -2.250 -6.702 0.844 1.00 0.00 C ATOM 1338 O TRP A 83 -2.113 -5.683 0.166 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.525 -8.213 -0.680 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.658 -9.171 -0.853 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.922 -9.013 -0.386 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.633 -10.432 -1.533 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.695 -10.092 -0.732 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.927 -10.979 -1.437 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.647 -11.151 -2.214 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -6.259 -12.211 -1.998 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.977 -12.374 -2.769 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -5.274 -12.892 -2.658 1.00 0.00 C ATOM 0 H TRP A 83 -4.866 -6.051 0.289 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.442 -8.373 1.452 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.603 -7.428 -1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.585 -8.735 -0.861 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.270 -8.160 0.177 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.681 -10.214 -0.502 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.645 -10.759 -2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -7.258 -12.613 -1.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -3.223 -12.939 -3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.501 -13.850 -3.103 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.356 -7.107 1.730 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.123 -6.360 1.965 1.00 0.00 C ATOM 1361 C PHE A 84 1.104 -7.124 1.457 1.00 0.00 C ATOM 1362 O PHE A 84 1.344 -8.266 1.848 1.00 0.00 O ATOM 1363 CB PHE A 84 0.039 -6.034 3.456 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.980 -5.062 3.985 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.331 -5.354 3.910 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.588 -3.859 4.560 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.272 -4.469 4.397 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.527 -2.971 5.048 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.871 -3.277 4.966 1.00 0.00 C ATOM 0 H PHE A 84 -1.457 -7.947 2.300 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.196 -5.428 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.025 -6.959 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.036 -5.625 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.652 -6.284 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.462 -3.616 4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.323 -4.710 4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.210 -2.039 5.493 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.607 -2.585 5.347 1.00 0.00 H new ATOM 1379 N TRP A 85 1.874 -6.478 0.581 1.00 0.00 N ATOM 1380 CA TRP A 85 3.078 -7.080 0.008 1.00 0.00 C ATOM 1381 C TRP A 85 4.336 -6.420 0.574 1.00 0.00 C ATOM 1382 O TRP A 85 4.321 -5.236 0.915 1.00 0.00 O ATOM 1383 CB TRP A 85 3.056 -6.953 -1.518 1.00 0.00 C ATOM 1384 CG TRP A 85 1.790 -7.465 -2.137 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.758 -6.720 -2.627 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.421 -8.837 -2.332 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.231 -7.541 -3.110 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.153 -8.844 -2.941 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.038 -10.058 -2.051 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 -0.508 -10.025 -3.273 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 1.382 -11.229 -2.381 1.00 0.00 C ATOM 1392 CH2 TRP A 85 0.121 -11.205 -2.987 1.00 0.00 C ATOM 0 H TRP A 85 1.683 -5.532 0.251 1.00 0.00 H new ATOM 0 HA TRP A 85 3.095 -8.136 0.276 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.188 -5.906 -1.791 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.903 -7.500 -1.934 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.724 -5.641 -2.634 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.109 -7.231 -3.527 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.011 -10.087 -1.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -1.482 -10.009 -3.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 1.851 -12.178 -2.168 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -0.365 -12.137 -3.234 1.00 0.00 H new ATOM 1403 N LEU A 86 5.422 -7.188 0.689 1.00 0.00 N ATOM 1404 CA LEU A 86 6.672 -6.656 1.233 1.00 0.00 C ATOM 1405 C LEU A 86 7.660 -6.285 0.125 1.00 0.00 C ATOM 1406 O LEU A 86 8.319 -7.142 -0.460 1.00 0.00 O ATOM 1407 CB LEU A 86 7.303 -7.671 2.192 1.00 0.00 C ATOM 1408 CG LEU A 86 8.734 -7.354 2.631 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.772 -6.072 3.447 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.315 -8.513 3.428 1.00 0.00 C ATOM 0 H LEU A 86 5.461 -8.170 0.416 1.00 0.00 H new ATOM 0 HA LEU A 86 6.435 -5.744 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.676 -7.745 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.296 -8.651 1.714 1.00 0.00 H new ATOM 0 HG LEU A 86 9.343 -7.209 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.798 -5.864 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.397 -5.245 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.148 -6.186 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.333 -8.271 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.704 -8.689 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.325 -9.411 2.810 1.00 0.00 H new ATOM 1422 N VAL A 87 7.761 -4.987 -0.129 1.00 0.00 N ATOM 1423 CA VAL A 87 8.658 -4.439 -1.145 1.00 0.00 C ATOM 1424 C VAL A 87 10.061 -4.277 -0.615 1.00 0.00 C ATOM 1425 O VAL A 87 10.252 -3.981 0.564 1.00 0.00 O ATOM 1426 CB VAL A 87 8.203 -3.063 -1.595 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.000 -2.594 -2.801 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.710 -3.064 -1.878 1.00 0.00 C ATOM 0 H VAL A 87 7.220 -4.278 0.366 1.00 0.00 H new ATOM 0 HA VAL A 87 8.640 -5.146 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 87 8.390 -2.355 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.654 -1.606 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.058 -2.545 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.861 -3.295 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.400 -2.070 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.489 -3.785 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.168 -3.338 -0.973 1.00 0.00 H new ATOM 1438 N GLU A 88 11.049 -4.481 -1.474 1.00 0.00 N ATOM 1439 CA GLU A 88 12.424 -4.353 -1.030 1.00 0.00 C ATOM 1440 C GLU A 88 13.116 -3.055 -1.488 1.00 0.00 C ATOM 1441 O GLU A 88 13.727 -2.370 -0.668 1.00 0.00 O ATOM 1442 CB GLU A 88 13.245 -5.564 -1.476 1.00 0.00 C ATOM 1443 CG GLU A 88 12.522 -6.889 -1.301 1.00 0.00 C ATOM 1444 CD GLU A 88 13.450 -8.006 -0.866 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.034 -7.899 0.233 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.593 -8.988 -1.625 1.00 0.00 O ATOM 0 H GLU A 88 10.928 -4.729 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 88 12.378 -4.307 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.514 -5.443 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.175 -5.590 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.729 -6.771 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.043 -7.164 -2.241 1.00 0.00 H new ATOM 1453 N ARG A 89 13.063 -2.727 -2.782 1.00 0.00 N ATOM 1454 CA ARG A 89 13.742 -1.522 -3.275 1.00 0.00 C ATOM 1455 C ARG A 89 13.244 -1.093 -4.651 1.00 0.00 C ATOM 1456 O ARG A 89 12.590 -1.863 -5.352 1.00 0.00 O ATOM 1457 CB ARG A 89 15.253 -1.754 -3.324 1.00 0.00 C ATOM 1458 CG ARG A 89 15.646 -3.100 -3.914 1.00 0.00 C ATOM 1459 CD ARG A 89 16.676 -3.812 -3.050 1.00 0.00 C ATOM 1460 NE ARG A 89 18.040 -3.572 -3.514 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.126 -3.843 -2.792 1.00 0.00 C ATOM 1462 NH1 ARG A 89 19.011 -4.360 -1.576 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.330 -3.595 -3.290 1.00 0.00 N ATOM 0 H ARG A 89 12.569 -3.264 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 89 13.510 -0.717 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.715 -0.961 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.656 -1.678 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 89 14.760 -3.726 -4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.049 -2.955 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.579 -3.474 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.475 -4.883 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 89 18.168 -3.174 -4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.087 -4.552 -1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.846 -4.565 -1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.423 -3.197 -4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.163 -3.802 -2.738 1.00 0.00 H new ATOM 1477 N TRP A 90 13.585 0.139 -5.043 1.00 0.00 N ATOM 1478 CA TRP A 90 13.194 0.660 -6.350 1.00 0.00 C ATOM 1479 C TRP A 90 14.365 1.338 -7.055 1.00 0.00 C ATOM 1480 O TRP A 90 15.346 1.723 -6.418 1.00 0.00 O ATOM 1481 CB TRP A 90 12.014 1.624 -6.229 1.00 0.00 C ATOM 1482 CG TRP A 90 12.303 2.867 -5.452 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.962 3.978 -5.890 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.915 3.135 -4.102 1.00 0.00 C ATOM 1485 NE1 TRP A 90 13.004 4.923 -4.894 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.369 4.427 -3.786 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.228 2.405 -3.133 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.152 5.004 -2.540 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.012 2.979 -1.895 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.472 4.269 -1.609 1.00 0.00 C ATOM 0 H TRP A 90 14.128 0.789 -4.475 1.00 0.00 H new ATOM 0 HA TRP A 90 12.882 -0.190 -6.956 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.687 1.905 -7.230 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.182 1.102 -5.757 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.388 4.097 -6.875 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.437 5.844 -4.967 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.871 1.408 -3.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.508 5.998 -2.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.480 2.424 -1.137 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.286 4.693 -0.633 1.00 0.00 H new ATOM 1501 N GLU A 91 14.262 1.471 -8.381 1.00 0.00 N ATOM 1502 CA GLU A 91 15.324 2.093 -9.166 1.00 0.00 C ATOM 1503 C GLU A 91 15.058 3.579 -9.375 1.00 0.00 C ATOM 1504 O GLU A 91 14.246 3.961 -10.215 1.00 0.00 O ATOM 1505 CB GLU A 91 15.459 1.393 -10.519 1.00 0.00 C ATOM 1506 CG GLU A 91 16.577 1.951 -11.384 1.00 0.00 C ATOM 1507 CD GLU A 91 16.543 1.411 -12.800 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.092 0.313 -13.030 1.00 0.00 O ATOM 1509 OE2 GLU A 91 15.968 2.086 -13.680 1.00 0.00 O ATOM 0 H GLU A 91 13.459 1.158 -8.927 1.00 0.00 H new ATOM 0 HA GLU A 91 16.256 1.988 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.635 0.330 -10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.516 1.479 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.502 3.038 -11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.538 1.709 -10.930 1.00 0.00 H new ATOM 1516 N GLY A 92 15.750 4.414 -8.608 1.00 0.00 N ATOM 1517 CA GLY A 92 15.572 5.847 -8.731 1.00 0.00 C ATOM 1518 C GLY A 92 14.493 6.375 -7.810 1.00 0.00 C ATOM 1519 O GLY A 92 14.651 6.372 -6.590 1.00 0.00 O ATOM 0 H GLY A 92 16.430 4.124 -7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.514 6.348 -8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.318 6.092 -9.762 1.00 0.00 H new ATOM 1523 N GLU A 93 13.393 6.833 -8.396 1.00 0.00 N ATOM 1524 CA GLU A 93 12.283 7.369 -7.620 1.00 0.00 C ATOM 1525 C GLU A 93 10.951 6.768 -8.071 1.00 0.00 C ATOM 1526 O GLU A 93 10.681 6.673 -9.268 1.00 0.00 O ATOM 1527 CB GLU A 93 12.232 8.891 -7.746 1.00 0.00 C ATOM 1528 CG GLU A 93 11.126 9.526 -6.922 1.00 0.00 C ATOM 1529 CD GLU A 93 11.344 11.010 -6.695 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.246 11.363 -5.905 1.00 0.00 O ATOM 1531 OE2 GLU A 93 10.616 11.817 -7.308 1.00 0.00 O ATOM 0 H GLU A 93 13.247 6.844 -9.405 1.00 0.00 H new ATOM 0 HA GLU A 93 12.446 7.099 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.191 9.306 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.093 9.157 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.171 9.376 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.061 9.021 -5.958 1.00 0.00 H new ATOM 1538 N PRO A 94 10.089 6.368 -7.115 1.00 0.00 N ATOM 1539 CA PRO A 94 8.779 5.794 -7.418 1.00 0.00 C ATOM 1540 C PRO A 94 7.787 6.873 -7.832 1.00 0.00 C ATOM 1541 O PRO A 94 7.769 7.957 -7.248 1.00 0.00 O ATOM 1542 CB PRO A 94 8.338 5.145 -6.093 1.00 0.00 C ATOM 1543 CG PRO A 94 9.483 5.318 -5.146 1.00 0.00 C ATOM 1544 CD PRO A 94 10.303 6.458 -5.670 1.00 0.00 C ATOM 0 HA PRO A 94 8.822 5.087 -8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.437 5.621 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.105 4.090 -6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.124 5.530 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.079 4.407 -5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.969 7.415 -5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.356 6.353 -5.409 1.00 0.00 H new ATOM 1552 N TRP A 95 6.964 6.586 -8.833 1.00 0.00 N ATOM 1553 CA TRP A 95 5.986 7.564 -9.289 1.00 0.00 C ATOM 1554 C TRP A 95 4.613 6.948 -9.498 1.00 0.00 C ATOM 1555 O TRP A 95 3.647 7.313 -8.829 1.00 0.00 O ATOM 1556 CB TRP A 95 6.442 8.235 -10.589 1.00 0.00 C ATOM 1557 CG TRP A 95 6.986 7.292 -11.631 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.272 6.859 -11.740 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.268 6.680 -12.716 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.411 6.038 -12.836 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.194 5.913 -13.451 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.935 6.707 -13.142 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.833 5.189 -14.585 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.577 5.984 -14.265 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.524 5.239 -14.978 1.00 0.00 C ATOM 0 H TRP A 95 6.953 5.699 -9.337 1.00 0.00 H new ATOM 0 HA TRP A 95 5.909 8.313 -8.501 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.599 8.778 -11.016 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.209 8.972 -10.351 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.070 7.122 -11.062 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.278 5.595 -13.140 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.198 7.283 -12.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.560 4.609 -15.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.550 5.994 -14.598 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.214 4.692 -15.857 1.00 0.00 H new ATOM 1576 N GLY A 96 4.539 6.020 -10.441 1.00 0.00 N ATOM 1577 CA GLY A 96 3.282 5.358 -10.754 1.00 0.00 C ATOM 1578 C GLY A 96 2.087 6.297 -10.736 1.00 0.00 C ATOM 1579 O GLY A 96 1.896 7.090 -11.658 1.00 0.00 O ATOM 0 H GLY A 96 5.333 5.709 -11.001 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.358 4.896 -11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.114 4.554 -10.037 1.00 0.00 H new ATOM 1583 N LYS A 97 1.282 6.202 -9.677 1.00 0.00 N ATOM 1584 CA LYS A 97 0.093 7.042 -9.525 1.00 0.00 C ATOM 1585 C LYS A 97 -0.794 6.532 -8.386 1.00 0.00 C ATOM 1586 O LYS A 97 -2.021 6.527 -8.497 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.706 7.086 -10.834 1.00 0.00 C ATOM 1588 CG LYS A 97 -0.728 8.458 -11.485 1.00 0.00 C ATOM 1589 CD LYS A 97 -1.680 8.498 -12.670 1.00 0.00 C ATOM 1590 CE LYS A 97 -1.159 7.668 -13.832 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.255 6.954 -14.542 1.00 0.00 N ATOM 0 H LYS A 97 1.433 5.549 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 97 0.424 8.051 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.281 6.367 -11.534 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.730 6.770 -10.636 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.028 9.205 -10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.277 8.721 -11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.658 8.125 -12.365 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.818 9.530 -12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.634 8.316 -14.534 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.433 6.943 -13.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.857 6.400 -15.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.740 6.316 -13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.935 7.646 -14.917 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.168 6.108 -7.291 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.900 5.600 -6.134 1.00 0.00 C ATOM 1607 C GLU A 98 -1.857 6.656 -5.582 1.00 0.00 C ATOM 1608 O GLU A 98 -2.845 6.325 -4.928 1.00 0.00 O ATOM 1609 CB GLU A 98 0.074 5.155 -5.038 1.00 0.00 C ATOM 1610 CG GLU A 98 1.343 5.990 -4.960 1.00 0.00 C ATOM 1611 CD GLU A 98 1.063 7.474 -4.847 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.233 7.860 -3.998 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.674 8.254 -5.609 1.00 0.00 O ATOM 0 H GLU A 98 0.846 6.106 -7.181 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.486 4.741 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.435 5.196 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.347 4.114 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.931 5.669 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.949 5.806 -5.847 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.562 7.926 -5.852 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.418 8.996 -5.372 1.00 0.00 C ATOM 1622 C GLY A 99 -1.650 10.250 -4.999 1.00 0.00 C ATOM 1623 O GLY A 99 -1.497 11.159 -5.815 1.00 0.00 O ATOM 0 H GLY A 99 -0.751 8.231 -6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.150 9.241 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.975 8.646 -4.503 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.175 10.306 -3.757 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.432 11.466 -3.271 1.00 0.00 C ATOM 1629 C GLN A 100 1.037 11.135 -3.037 1.00 0.00 C ATOM 1630 O GLN A 100 1.373 10.284 -2.213 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.058 12.004 -1.978 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.786 10.949 -1.158 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.036 11.391 0.271 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -1.337 10.769 1.214 1.00 0.00 O flip ATOM 1635 NE2 GLN A 100 -2.847 12.282 0.525 1.00 0.00 N flip ATOM 0 H GLN A 100 -1.291 9.562 -3.069 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.487 12.234 -4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.274 12.449 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.758 12.801 -2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.738 10.717 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.200 10.030 -1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.362 12.733 -0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.003 12.569 1.491 1.00 0.00 H new ATOM 1644 N PRO A 101 1.934 11.822 -3.764 1.00 0.00 N ATOM 1645 CA PRO A 101 3.381 11.626 -3.646 1.00 0.00 C ATOM 1646 C PRO A 101 3.847 11.516 -2.196 1.00 0.00 C ATOM 1647 O PRO A 101 3.285 12.151 -1.303 1.00 0.00 O ATOM 1648 CB PRO A 101 3.927 12.897 -4.284 1.00 0.00 C ATOM 1649 CG PRO A 101 2.944 13.220 -5.347 1.00 0.00 C ATOM 1650 CD PRO A 101 1.605 12.861 -4.767 1.00 0.00 C ATOM 0 HA PRO A 101 3.716 10.699 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.008 13.705 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.923 12.739 -4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.987 14.276 -5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.145 12.652 -6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.121 13.723 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.925 12.482 -5.530 1.00 0.00 H new ATOM 1658 N GLY A 102 4.874 10.702 -1.970 1.00 0.00 N ATOM 1659 CA GLY A 102 5.396 10.518 -0.627 1.00 0.00 C ATOM 1660 C GLY A 102 6.913 10.587 -0.569 1.00 0.00 C ATOM 1661 O GLY A 102 7.576 10.732 -1.597 1.00 0.00 O ATOM 0 H GLY A 102 5.354 10.166 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.977 11.282 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.066 9.553 -0.243 1.00 0.00 H new ATOM 1665 N GLU A 103 7.460 10.480 0.638 1.00 0.00 N ATOM 1666 CA GLU A 103 8.906 10.525 0.835 1.00 0.00 C ATOM 1667 C GLU A 103 9.388 9.258 1.537 1.00 0.00 C ATOM 1668 O GLU A 103 8.612 8.584 2.215 1.00 0.00 O ATOM 1669 CB GLU A 103 9.295 11.758 1.653 1.00 0.00 C ATOM 1670 CG GLU A 103 10.624 12.367 1.240 1.00 0.00 C ATOM 1671 CD GLU A 103 10.715 13.844 1.565 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.903 14.623 1.022 1.00 0.00 O ATOM 1673 OE2 GLU A 103 11.598 14.224 2.363 1.00 0.00 O ATOM 0 H GLU A 103 6.923 10.361 1.497 1.00 0.00 H new ATOM 0 HA GLU A 103 9.384 10.587 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.513 12.511 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.342 11.484 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.434 11.838 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.767 12.225 0.169 1.00 0.00 H new ATOM 1680 N TRP A 104 10.669 8.933 1.374 1.00 0.00 N ATOM 1681 CA TRP A 104 11.229 7.738 2.001 1.00 0.00 C ATOM 1682 C TRP A 104 11.279 7.911 3.516 1.00 0.00 C ATOM 1683 O TRP A 104 12.110 8.651 4.042 1.00 0.00 O ATOM 1684 CB TRP A 104 12.637 7.448 1.452 1.00 0.00 C ATOM 1685 CG TRP A 104 12.814 7.861 0.023 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.859 7.857 -0.952 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.015 8.342 -0.592 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.392 8.304 -2.137 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.714 8.609 -1.941 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.315 8.572 -0.133 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.667 9.094 -2.834 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.259 9.054 -1.020 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.931 9.311 -2.357 1.00 0.00 C ATOM 0 H TRP A 104 11.332 9.474 0.819 1.00 0.00 H new ATOM 0 HA TRP A 104 10.585 6.891 1.765 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.373 7.967 2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.842 6.381 1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.834 7.548 -0.812 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.887 8.394 -3.018 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.577 8.377 0.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.417 9.292 -3.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.267 9.236 -0.676 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.691 9.688 -3.025 1.00 0.00 H new ATOM 1704 N MET A 105 10.378 7.220 4.209 1.00 0.00 N ATOM 1705 CA MET A 105 10.310 7.290 5.667 1.00 0.00 C ATOM 1706 C MET A 105 10.512 5.916 6.292 1.00 0.00 C ATOM 1707 O MET A 105 10.191 4.895 5.685 1.00 0.00 O ATOM 1708 CB MET A 105 8.969 7.877 6.113 1.00 0.00 C ATOM 1709 CG MET A 105 7.779 7.367 5.316 1.00 0.00 C ATOM 1710 SD MET A 105 6.266 8.283 5.669 1.00 0.00 S ATOM 1711 CE MET A 105 6.227 8.194 7.458 1.00 0.00 C ATOM 0 H MET A 105 9.684 6.605 3.785 1.00 0.00 H new ATOM 0 HA MET A 105 11.113 7.943 6.008 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.814 7.645 7.167 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.012 8.963 6.028 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.002 7.437 4.251 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.621 6.312 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.199 8.298 7.805 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.625 7.233 7.783 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.834 8.997 7.876 1.00 0.00 H new ATOM 1721 N SER A 106 11.035 5.896 7.514 1.00 0.00 N ATOM 1722 CA SER A 106 11.265 4.642 8.221 1.00 0.00 C ATOM 1723 C SER A 106 9.941 4.007 8.634 1.00 0.00 C ATOM 1724 O SER A 106 9.203 4.563 9.448 1.00 0.00 O ATOM 1725 CB SER A 106 12.141 4.879 9.452 1.00 0.00 C ATOM 1726 OG SER A 106 13.133 3.874 9.574 1.00 0.00 O ATOM 0 H SER A 106 11.307 6.731 8.033 1.00 0.00 H new ATOM 0 HA SER A 106 11.782 3.959 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.617 5.857 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.520 4.891 10.347 1.00 0.00 H new ATOM 0 HG SER A 106 13.681 4.049 10.368 1.00 0.00 H new ATOM 1732 N LEU A 107 9.643 2.844 8.064 1.00 0.00 N ATOM 1733 CA LEU A 107 8.398 2.140 8.372 1.00 0.00 C ATOM 1734 C LEU A 107 8.289 1.812 9.860 1.00 0.00 C ATOM 1735 O LEU A 107 7.200 1.541 10.363 1.00 0.00 O ATOM 1736 CB LEU A 107 8.280 0.856 7.549 1.00 0.00 C ATOM 1737 CG LEU A 107 6.846 0.374 7.291 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.277 -0.295 8.533 1.00 0.00 C ATOM 1739 CD2 LEU A 107 5.954 1.531 6.855 1.00 0.00 C ATOM 0 H LEU A 107 10.242 2.369 7.389 1.00 0.00 H new ATOM 0 HA LEU A 107 7.578 2.809 8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.772 1.012 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.826 0.064 8.061 1.00 0.00 H new ATOM 0 HG LEU A 107 6.875 -0.358 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.260 -0.630 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.895 -1.152 8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.268 0.417 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.943 1.164 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.933 2.289 7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.347 1.968 5.937 1.00 0.00 H new ATOM 1751 N VAL A 108 9.420 1.841 10.563 1.00 0.00 N ATOM 1752 CA VAL A 108 9.440 1.549 11.994 1.00 0.00 C ATOM 1753 C VAL A 108 8.428 2.404 12.762 1.00 0.00 C ATOM 1754 O VAL A 108 8.112 2.117 13.916 1.00 0.00 O ATOM 1755 CB VAL A 108 10.845 1.772 12.589 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.259 3.231 12.464 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.890 1.319 14.041 1.00 0.00 C ATOM 0 H VAL A 108 10.333 2.063 10.165 1.00 0.00 H new ATOM 0 HA VAL A 108 9.165 0.500 12.101 1.00 0.00 H new ATOM 0 HB VAL A 108 11.555 1.170 12.022 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.253 3.365 12.890 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.274 3.516 11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.547 3.858 13.000 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.890 1.484 14.443 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.166 1.889 14.623 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.647 0.258 14.099 1.00 0.00 H new ATOM 1767 N GLY A 109 7.920 3.450 12.115 1.00 0.00 N ATOM 1768 CA GLY A 109 6.950 4.318 12.748 1.00 0.00 C ATOM 1769 C GLY A 109 5.818 4.671 11.806 1.00 0.00 C ATOM 1770 O GLY A 109 5.528 5.845 11.577 1.00 0.00 O ATOM 0 H GLY A 109 8.166 3.710 11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.547 3.828 13.635 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.442 5.231 13.084 1.00 0.00 H new ATOM 1774 N LEU A 110 5.186 3.642 11.253 1.00 0.00 N ATOM 1775 CA LEU A 110 4.080 3.826 10.316 1.00 0.00 C ATOM 1776 C LEU A 110 2.915 4.548 10.984 1.00 0.00 C ATOM 1777 O LEU A 110 2.725 4.454 12.197 1.00 0.00 O ATOM 1778 CB LEU A 110 3.616 2.475 9.774 1.00 0.00 C ATOM 1779 CG LEU A 110 2.588 2.553 8.642 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.963 1.611 7.509 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.199 2.230 9.168 1.00 0.00 C ATOM 0 H LEU A 110 5.421 2.667 11.437 1.00 0.00 H new ATOM 0 HA LEU A 110 4.435 4.439 9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.487 1.925 9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.189 1.898 10.594 1.00 0.00 H new ATOM 0 HG LEU A 110 2.583 3.570 8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.219 1.682 6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.941 1.887 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.998 0.588 7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.478 2.289 8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.193 1.223 9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.928 2.946 9.944 1.00 0.00 H new ATOM 1793 N ASN A 111 2.153 5.295 10.188 1.00 0.00 N ATOM 1794 CA ASN A 111 1.026 6.062 10.707 1.00 0.00 C ATOM 1795 C ASN A 111 -0.318 5.383 10.466 1.00 0.00 C ATOM 1796 O ASN A 111 -0.951 5.589 9.431 1.00 0.00 O ATOM 1797 CB ASN A 111 1.015 7.460 10.086 1.00 0.00 C ATOM 1798 CG ASN A 111 0.916 8.558 11.128 1.00 0.00 C ATOM 1799 OD1 ASN A 111 1.575 9.592 11.020 1.00 0.00 O ATOM 1800 ND2 ASN A 111 0.090 8.339 12.144 1.00 0.00 N ATOM 0 H ASN A 111 2.296 5.385 9.182 1.00 0.00 H new ATOM 0 HA ASN A 111 1.162 6.129 11.786 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.923 7.601 9.500 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.175 7.541 9.396 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.017 9.043 12.875 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.437 7.467 12.194 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.769 4.608 11.449 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.063 3.944 11.357 1.00 0.00 C ATOM 1809 C ALA A 112 -3.183 4.973 11.516 1.00 0.00 C ATOM 1810 O ALA A 112 -4.319 4.745 11.101 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.188 2.853 12.413 1.00 0.00 C ATOM 0 H ALA A 112 -0.259 4.426 12.314 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.147 3.474 10.377 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.162 2.371 12.325 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.402 2.112 12.266 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.090 3.294 13.405 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.848 6.110 12.126 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.810 7.185 12.342 1.00 0.00 C ATOM 1819 C ASP A 113 -4.013 8.005 11.068 1.00 0.00 C ATOM 1820 O ASP A 113 -5.142 8.335 10.704 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.342 8.096 13.478 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.477 8.904 14.075 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.442 9.206 13.342 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.402 9.237 15.277 1.00 0.00 O ATOM 0 H ASP A 113 -1.912 6.309 12.480 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.763 6.733 12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.880 7.491 14.258 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.575 8.774 13.104 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.908 8.341 10.404 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.959 9.136 9.179 1.00 0.00 C ATOM 1831 C ASP A 114 -3.629 8.368 8.046 1.00 0.00 C ATOM 1832 O ASP A 114 -4.408 8.931 7.280 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.551 9.559 8.762 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.396 11.066 8.692 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -2.117 11.772 9.427 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.550 11.539 7.903 1.00 0.00 O ATOM 0 H ASP A 114 -1.967 8.075 10.694 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.555 10.025 9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.828 9.155 9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.318 9.127 7.789 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.334 7.079 7.946 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.925 6.250 6.905 1.00 0.00 C ATOM 1843 C PHE A 115 -5.358 5.878 7.305 1.00 0.00 C ATOM 1844 O PHE A 115 -5.799 6.221 8.403 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.032 5.020 6.650 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.502 3.745 7.285 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.868 3.722 8.614 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.558 2.569 6.554 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.284 2.551 9.211 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.976 1.394 7.143 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.339 1.386 8.473 1.00 0.00 C ATOM 0 H PHE A 115 -2.693 6.587 8.569 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.984 6.797 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.955 4.864 5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.028 5.239 7.013 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.828 4.632 9.194 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.271 2.573 5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.566 2.545 10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.019 0.483 6.564 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.667 0.468 8.938 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.127 5.207 6.428 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.519 4.854 6.729 1.00 0.00 C ATOM 1863 C PRO A 116 -7.660 4.091 8.046 1.00 0.00 C ATOM 1864 O PRO A 116 -6.979 3.089 8.271 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.940 3.968 5.545 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.679 3.640 4.815 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.735 4.776 5.080 1.00 0.00 C ATOM 0 HA PRO A 116 -8.139 5.742 6.850 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.438 3.063 5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.643 4.490 4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.261 2.696 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.865 3.529 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.694 4.455 5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.848 5.577 4.349 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.552 4.564 8.942 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.785 3.930 10.246 1.00 0.00 C ATOM 1877 C PRO A 117 -9.454 2.569 10.117 1.00 0.00 C ATOM 1878 O PRO A 117 -9.160 1.646 10.876 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.711 4.913 10.965 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.401 5.648 9.872 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.402 5.757 8.755 1.00 0.00 C ATOM 0 HA PRO A 117 -7.851 3.740 10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.424 4.391 11.603 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.148 5.592 11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.294 5.115 9.546 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.722 6.634 10.207 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.888 5.756 7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.823 6.678 8.822 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.350 2.447 9.147 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.053 1.191 8.914 1.00 0.00 C ATOM 1891 C ALA A 118 -10.120 0.143 8.322 1.00 0.00 C ATOM 1892 O ALA A 118 -10.473 -1.030 8.209 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.253 1.415 8.007 1.00 0.00 C ATOM 0 H ALA A 118 -10.607 3.200 8.509 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.409 0.818 9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.767 0.468 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.937 2.122 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.917 1.816 7.051 1.00 0.00 H new ATOM 1899 N ASN A 119 -8.932 0.584 7.943 1.00 0.00 N ATOM 1900 CA ASN A 119 -7.934 -0.288 7.354 1.00 0.00 C ATOM 1901 C ASN A 119 -6.807 -0.586 8.349 1.00 0.00 C ATOM 1902 O ASN A 119 -5.728 -1.034 7.963 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.385 0.403 6.112 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.242 0.153 4.883 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.242 -0.564 4.945 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.863 0.755 3.761 1.00 0.00 N ATOM 0 H ASN A 119 -8.634 1.555 8.035 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.386 -1.243 7.087 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.321 1.476 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.371 0.051 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.407 0.632 2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.028 1.341 3.753 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.071 -0.320 9.632 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.091 -0.535 10.699 1.00 0.00 C ATOM 1915 C GLU A 120 -5.874 -2.014 11.041 1.00 0.00 C ATOM 1916 O GLU A 120 -4.789 -2.383 11.469 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.500 0.228 11.961 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.408 1.139 12.499 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.941 2.484 12.951 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.115 3.372 12.092 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -6.184 2.649 14.166 1.00 0.00 O ATOM 0 H GLU A 120 -7.965 0.048 9.958 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.143 -0.154 10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.386 0.825 11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.779 -0.488 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.911 0.649 13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.654 1.292 11.727 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.892 -2.885 10.899 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.752 -4.304 11.249 1.00 0.00 C ATOM 1930 C PRO A 121 -5.436 -4.925 10.769 1.00 0.00 C ATOM 1931 O PRO A 121 -4.849 -5.752 11.466 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.944 -4.941 10.540 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.989 -3.881 10.566 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.258 -2.570 10.432 1.00 0.00 C ATOM 0 HA PRO A 121 -6.733 -4.457 12.328 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.693 -5.229 9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.278 -5.843 11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.701 -4.015 9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.558 -3.917 11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.258 -2.215 9.402 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.719 -1.790 11.038 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.963 -4.516 9.598 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.704 -5.034 9.070 1.00 0.00 C ATOM 1944 C VAL A 122 -2.522 -4.367 9.758 1.00 0.00 C ATOM 1945 O VAL A 122 -1.611 -5.034 10.247 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.567 -4.809 7.553 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.361 -5.567 7.014 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.836 -5.218 6.823 1.00 0.00 C ATOM 0 H VAL A 122 -5.427 -3.833 8.999 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.708 -6.106 9.266 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.413 -3.744 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.276 -5.399 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.457 -5.212 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.486 -6.633 7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.711 -5.048 5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -5.034 -6.275 7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.674 -4.624 7.189 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.549 -3.040 9.780 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.486 -2.261 10.394 1.00 0.00 C ATOM 1960 C ILE A 123 -1.429 -2.494 11.898 1.00 0.00 C ATOM 1961 O ILE A 123 -0.365 -2.432 12.499 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.669 -0.755 10.114 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.670 -0.499 8.607 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.570 0.051 10.789 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.302 -0.638 7.975 1.00 0.00 C ATOM 0 H ILE A 123 -3.301 -2.480 9.377 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.547 -2.593 9.951 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.627 -0.437 10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.357 -1.197 8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.050 0.505 8.416 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.716 1.111 10.580 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.606 -0.115 11.866 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.400 -0.264 10.405 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.374 -0.443 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.383 0.078 8.429 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.072 -1.649 8.135 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.576 -2.767 12.502 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.641 -3.015 13.936 1.00 0.00 C ATOM 1979 C ALA A 124 -1.684 -4.133 14.331 1.00 0.00 C ATOM 1980 O ALA A 124 -1.196 -4.180 15.460 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.063 -3.360 14.352 1.00 0.00 C ATOM 0 H ALA A 124 -3.474 -2.823 12.022 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.339 -2.106 14.456 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.094 -3.542 15.426 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.726 -2.530 14.106 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.390 -4.255 13.823 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.424 -5.036 13.389 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.525 -6.160 13.639 1.00 0.00 C ATOM 1989 C LYS A 125 0.945 -5.742 13.535 1.00 0.00 C ATOM 1990 O LYS A 125 1.745 -6.037 14.422 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.815 -7.296 12.654 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.017 -8.645 13.324 1.00 0.00 C ATOM 1993 CD LYS A 125 0.172 -9.019 14.196 1.00 0.00 C ATOM 1994 CE LYS A 125 -0.091 -8.704 15.661 1.00 0.00 C ATOM 1995 NZ LYS A 125 0.492 -9.734 16.564 1.00 0.00 N ATOM 0 H LYS A 125 -1.821 -5.012 12.450 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.704 -6.507 14.657 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.707 -7.048 12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.010 -7.371 11.946 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.921 -8.618 13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.167 -9.411 12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.387 -10.082 14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.056 -8.478 13.859 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.330 -7.728 15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.166 -8.639 15.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.291 -9.483 17.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 0.072 -10.661 16.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.521 -9.779 16.421 1.00 0.00 H new ATOM 2009 N LEU A 126 1.293 -5.063 12.446 1.00 0.00 N ATOM 2010 CA LEU A 126 2.665 -4.615 12.221 1.00 0.00 C ATOM 2011 C LEU A 126 2.985 -3.368 13.040 1.00 0.00 C ATOM 2012 O LEU A 126 4.135 -3.139 13.413 1.00 0.00 O ATOM 2013 CB LEU A 126 2.890 -4.334 10.732 1.00 0.00 C ATOM 2014 CG LEU A 126 4.346 -4.088 10.324 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.801 -2.704 10.763 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.254 -5.162 10.908 1.00 0.00 C ATOM 0 H LEU A 126 0.642 -4.810 11.703 1.00 0.00 H new ATOM 0 HA LEU A 126 3.334 -5.412 12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.507 -5.178 10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.299 -3.462 10.450 1.00 0.00 H new ATOM 0 HG LEU A 126 4.410 -4.139 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.838 -2.550 10.463 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.171 -1.948 10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.720 -2.621 11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.284 -4.970 10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.184 -5.145 11.996 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.944 -6.140 10.540 1.00 0.00 H new ATOM 2028 N LYS A 127 1.964 -2.566 13.314 1.00 0.00 N ATOM 2029 CA LYS A 127 2.130 -1.340 14.088 1.00 0.00 C ATOM 2030 C LYS A 127 2.785 -1.635 15.423 1.00 0.00 C ATOM 2031 O LYS A 127 3.687 -0.920 15.861 1.00 0.00 O ATOM 2032 CB LYS A 127 0.780 -0.683 14.320 1.00 0.00 C ATOM 2033 CG LYS A 127 0.868 0.667 15.012 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.404 1.477 14.819 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.307 1.398 16.039 1.00 0.00 C ATOM 2036 NZ LYS A 127 -2.747 1.511 15.675 1.00 0.00 N ATOM 0 H LYS A 127 1.007 -2.743 13.010 1.00 0.00 H new ATOM 0 HA LYS A 127 2.771 -0.663 13.523 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.277 -0.558 13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.160 -1.349 14.920 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.049 0.520 16.077 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.718 1.224 14.618 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.147 2.518 14.622 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.941 1.110 13.944 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.137 0.454 16.556 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.046 2.194 16.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.328 1.452 16.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.916 2.423 15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.004 0.736 15.030 1.00 0.00 H new ATOM 2050 N ARG A 128 2.342 -2.713 16.055 1.00 0.00 N ATOM 2051 CA ARG A 128 2.903 -3.126 17.327 1.00 0.00 C ATOM 2052 C ARG A 128 4.368 -3.504 17.139 1.00 0.00 C ATOM 2053 O ARG A 128 5.112 -3.659 18.108 1.00 0.00 O ATOM 2054 CB ARG A 128 2.117 -4.307 17.898 1.00 0.00 C ATOM 2055 CG ARG A 128 2.691 -4.858 19.192 1.00 0.00 C ATOM 2056 CD ARG A 128 1.773 -5.901 19.810 1.00 0.00 C ATOM 2057 NE ARG A 128 0.455 -5.353 20.125 1.00 0.00 N ATOM 2058 CZ ARG A 128 -0.510 -6.042 20.730 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -0.309 -7.306 21.086 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -1.679 -5.467 20.979 1.00 0.00 N ATOM 0 H ARG A 128 1.596 -3.315 15.705 1.00 0.00 H new ATOM 0 HA ARG A 128 2.835 -2.298 18.033 1.00 0.00 H new ATOM 0 HB2 ARG A 128 1.087 -3.996 18.072 1.00 0.00 H new ATOM 0 HB3 ARG A 128 2.088 -5.105 17.156 1.00 0.00 H new ATOM 0 HG2 ARG A 128 3.668 -5.301 18.998 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.845 -4.043 19.899 1.00 0.00 H new ATOM 0 HD2 ARG A 128 1.662 -6.739 19.122 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.229 -6.293 20.719 1.00 0.00 H new ATOM 0 HE ARG A 128 0.263 -4.385 19.866 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.588 -7.753 20.896 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.052 -7.830 21.549 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.838 -4.497 20.707 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -2.419 -5.995 21.443 1.00 0.00 H new ATOM 2074 N LEU A 129 4.776 -3.645 15.876 1.00 0.00 N ATOM 2075 CA LEU A 129 6.155 -3.998 15.552 1.00 0.00 C ATOM 2076 C LEU A 129 6.551 -5.314 16.214 1.00 0.00 C ATOM 2077 O LEU A 129 5.735 -5.959 16.874 1.00 0.00 O ATOM 2078 CB LEU A 129 7.105 -2.879 15.995 1.00 0.00 C ATOM 2079 CG LEU A 129 7.485 -1.872 14.906 1.00 0.00 C ATOM 2080 CD1 LEU A 129 6.251 -1.414 14.137 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.208 -0.678 15.515 1.00 0.00 C ATOM 0 H LEU A 129 4.171 -3.520 15.064 1.00 0.00 H new ATOM 0 HA LEU A 129 6.230 -4.123 14.472 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.643 -2.338 16.821 1.00 0.00 H new ATOM 0 HB3 LEU A 129 8.018 -3.332 16.382 1.00 0.00 H new ATOM 0 HG LEU A 129 8.159 -2.365 14.205 1.00 0.00 H new ATOM 0 HD11 LEU A 129 6.546 -0.699 13.369 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.774 -2.275 13.668 1.00 0.00 H new ATOM 0 HD13 LEU A 129 5.549 -0.940 14.824 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.471 0.028 14.728 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.556 -0.188 16.239 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.115 -1.018 16.015 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -4.344 1.885 -8.945 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -7.039 2.802 -3.227 1.00 20.00 O HETATM 2096 P 8OG A 131 -8.312 2.397 -2.329 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -9.437 2.083 -3.237 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -8.490 3.434 -1.288 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -7.809 1.036 -1.630 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -8.509 0.474 -0.515 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -9.983 0.212 -0.834 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -10.784 -0.549 0.078 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -10.811 1.487 -1.009 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -11.277 1.633 -2.353 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -11.978 1.405 -0.020 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -11.872 0.090 0.757 1.00 20.00 C HETATM 2107 N9 8OG A 131 -12.068 0.172 2.224 1.00 20.00 N HETATM 2108 C8 8OG A 131 -11.361 1.043 3.010 1.00 20.00 C HETATM 2109 N7 8OG A 131 -11.847 0.834 4.274 1.00 20.00 N HETATM 2110 C5 8OG A 131 -12.823 -0.127 4.282 1.00 20.00 C HETATM 2111 C6 8OG A 131 -13.602 -0.695 5.229 1.00 20.00 C HETATM 2112 O6 8OG A 131 -13.488 -0.291 6.438 1.00 20.00 O HETATM 2113 N1 8OG A 131 -14.535 -1.686 4.948 1.00 20.00 N HETATM 2114 C2 8OG A 131 -14.655 -2.092 3.646 1.00 20.00 C HETATM 2115 N2 8OG A 131 -15.540 -3.063 3.381 1.00 20.00 N HETATM 2116 N3 8OG A 131 -13.899 -1.566 2.593 1.00 20.00 N HETATM 2117 C4 8OG A 131 -12.975 -0.561 2.981 1.00 20.00 C HETATM 2118 O8 8OG A 131 -10.454 1.871 2.652 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -10.513 1.776 -2.950 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -8.031 -0.460 -0.220 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -11.952 2.252 0.666 1.00 20.00 H new HETATM 0 H7 8OG A 131 -11.523 1.331 5.104 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -8.437 1.151 0.336 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -9.813 -0.373 -1.738 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -10.199 2.366 -0.807 1.00 20.00 H new HETATM 0 H22 8OG A 131 -15.661 -3.395 2.424 1.00 20.00 H new HETATM 0 H21 8OG A 131 -16.092 -3.470 4.136 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -12.928 1.454 -0.552 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -12.707 -0.611 0.745 1.00 20.00 H new HETATM 0 H1 8OG A 131 -15.109 -2.096 5.685 1.00 20.00 H new HETATM 2131 O HOH A5119 -3.924 2.901 -7.144 1.00 0.00 O HETATM 2132 O HOH A5120 -6.161 2.949 -9.088 1.00 0.00 O