USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 TYR OH : rot 180:sc= 0.578 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 141:sc= 0.624 (180deg=0) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-3.9!) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= -0.0101 USER MOD Set 3.1: A 74 ASN : amide:sc= -5.83! C(o=-6.4!,f=-10!) USER MOD Set 3.2: A 77 ASN : amide:sc= -0.535 X(o=-6.4,f=-5.9) USER MOD Set 4.1: A 51 THR OG1 : rot 153:sc= 0.169 USER MOD Set 4.2: A 53 TYR OH : rot 30:sc= 0.187 USER MOD Set 5.1: A 1 LYS N :NH3+ -151:sc= 0 (180deg=-0.523) USER MOD Set 5.2: A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.1: A 24 SER OG : rot -30:sc= 1.18 USER MOD Set 6.2: A 27 ASN :FLIP amide:sc= -1.13! C(o=-4.8!,f=0.051!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -131:sc= -11.5! (180deg=-12.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.123 X(o=0.12,f=-0.01) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -95:sc= -1.56! USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 39 ASN : amide:sc= -3.29! C(o=-3.3!,f=-8.5!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc=0.000559 X(o=0.00056,f=0.29) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 41:sc= 0.593 USER MOD Single : A 57 GLN :FLIP amide:sc= -2.79! C(o=-3.6!,f=-2.8!) USER MOD Single : A 59 ASN :FLIP amide:sc= -7.72! C(o=-8.8!,f=-7.7!) USER MOD Single : A 60 SER OG : rot -110:sc= 0.869 USER MOD Single : A 65 ASN : amide:sc= -0.0112 K(o=-0.011,f=-2.1) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= -1.25 USER MOD Single : A 81 SER OG : rot 180:sc= 0.066 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -171:sc= -1.49 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.276 F(o=-1.2,f=-0.28) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -25:sc= 0.312 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -155:sc= -1.45 (180deg=-4.16) USER MOD Single : A 106 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.22) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -61:sc= 0.672 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.286 -9.508 0.653 1.00 0.00 N ATOM 2 CA LYS A 1 -6.004 -10.199 0.361 1.00 0.00 C ATOM 3 C LYS A 1 -4.827 -9.231 0.436 1.00 0.00 C ATOM 4 O LYS A 1 -4.791 -8.226 -0.272 1.00 0.00 O ATOM 5 CB LYS A 1 -6.089 -10.816 -1.037 1.00 0.00 C ATOM 6 CG LYS A 1 -5.286 -12.098 -1.186 1.00 0.00 C ATOM 7 CD LYS A 1 -4.210 -11.960 -2.251 1.00 0.00 C ATOM 8 CE LYS A 1 -3.052 -12.913 -2.000 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.993 -13.996 -3.019 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.956 -10.183 1.073 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.116 -8.728 1.320 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.684 -9.128 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.840 -10.977 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.133 -11.022 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.736 -10.089 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.825 -12.353 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.954 -12.919 -1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.640 -12.159 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.842 -10.934 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.115 -12.356 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.153 -13.353 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.190 -14.624 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.876 -14.544 -2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.871 -13.578 -3.963 1.00 0.00 H new ATOM 25 N VAL A 2 -3.866 -9.543 1.301 1.00 0.00 N ATOM 26 CA VAL A 2 -2.687 -8.701 1.469 1.00 0.00 C ATOM 27 C VAL A 2 -1.435 -9.394 0.945 1.00 0.00 C ATOM 28 O VAL A 2 -1.113 -10.506 1.363 1.00 0.00 O ATOM 29 CB VAL A 2 -2.461 -8.328 2.951 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.159 -7.564 3.125 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.623 -7.509 3.484 1.00 0.00 C ATOM 0 H VAL A 2 -3.881 -10.372 1.895 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.870 -7.793 0.894 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.398 -9.254 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.022 -7.313 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.327 -8.182 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.193 -6.648 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.442 -7.258 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.719 -6.592 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.543 -8.088 3.404 1.00 0.00 H new ATOM 41 N PHE A 3 -0.711 -8.723 0.051 1.00 0.00 N ATOM 42 CA PHE A 3 0.523 -9.279 -0.491 1.00 0.00 C ATOM 43 C PHE A 3 1.634 -9.191 0.545 1.00 0.00 C ATOM 44 O PHE A 3 1.434 -8.669 1.642 1.00 0.00 O ATOM 45 CB PHE A 3 0.965 -8.517 -1.744 1.00 0.00 C ATOM 46 CG PHE A 3 0.008 -8.582 -2.898 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.071 -9.452 -2.896 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.202 -7.764 -3.998 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.937 -9.502 -3.970 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.660 -7.809 -5.071 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.731 -8.678 -5.060 1.00 0.00 C ATOM 0 H PHE A 3 -0.956 -7.801 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 3 0.331 -10.320 -0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.120 -7.471 -1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.929 -8.910 -2.068 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.236 -10.097 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.040 -7.082 -4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.774 -10.184 -3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.497 -7.164 -5.921 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.407 -8.714 -5.901 1.00 0.00 H new ATOM 61 N GLY A 4 2.808 -9.683 0.183 1.00 0.00 N ATOM 62 CA GLY A 4 3.943 -9.631 1.080 1.00 0.00 C ATOM 63 C GLY A 4 4.893 -8.512 0.702 1.00 0.00 C ATOM 64 O GLY A 4 4.471 -7.498 0.148 1.00 0.00 O ATOM 0 H GLY A 4 2.996 -10.119 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.595 -9.485 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.472 -10.584 1.056 1.00 0.00 H new ATOM 68 N ARG A 5 6.175 -8.693 0.991 1.00 0.00 N ATOM 69 CA ARG A 5 7.172 -7.682 0.663 1.00 0.00 C ATOM 70 C ARG A 5 7.754 -7.920 -0.720 1.00 0.00 C ATOM 71 O ARG A 5 7.693 -7.046 -1.585 1.00 0.00 O ATOM 72 CB ARG A 5 8.288 -7.667 1.710 1.00 0.00 C ATOM 73 CG ARG A 5 8.050 -6.675 2.837 1.00 0.00 C ATOM 74 CD ARG A 5 8.101 -7.355 4.197 1.00 0.00 C ATOM 75 NE ARG A 5 6.777 -7.768 4.652 1.00 0.00 N ATOM 76 CZ ARG A 5 6.270 -8.980 4.444 1.00 0.00 C ATOM 77 NH1 ARG A 5 6.973 -9.894 3.790 1.00 0.00 N ATOM 78 NH2 ARG A 5 5.056 -9.278 4.889 1.00 0.00 N ATOM 0 H ARG A 5 6.548 -9.525 1.449 1.00 0.00 H new ATOM 0 HA ARG A 5 6.677 -6.711 0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.392 -8.666 2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.232 -7.428 1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.802 -5.887 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.079 -6.197 2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.754 -8.226 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.539 -6.674 4.927 1.00 0.00 H new ATOM 0 HE ARG A 5 6.209 -7.089 5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.906 -9.669 3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.581 -10.822 3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.511 -8.577 5.391 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.668 -10.208 4.729 1.00 0.00 H new ATOM 92 N CYS A 6 8.319 -9.100 -0.930 1.00 0.00 N ATOM 93 CA CYS A 6 8.905 -9.425 -2.218 1.00 0.00 C ATOM 94 C CYS A 6 7.850 -9.904 -3.199 1.00 0.00 C ATOM 95 O CYS A 6 7.920 -9.590 -4.380 1.00 0.00 O ATOM 96 CB CYS A 6 9.994 -10.475 -2.078 1.00 0.00 C ATOM 97 SG CYS A 6 10.961 -10.349 -0.540 1.00 0.00 S ATOM 0 H CYS A 6 8.383 -9.841 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 6 9.351 -8.510 -2.607 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.538 -11.464 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.672 -10.394 -2.928 1.00 0.00 H new ATOM 102 N GLU A 7 6.868 -10.657 -2.712 1.00 0.00 N ATOM 103 CA GLU A 7 5.805 -11.148 -3.581 1.00 0.00 C ATOM 104 C GLU A 7 5.328 -10.014 -4.475 1.00 0.00 C ATOM 105 O GLU A 7 5.325 -10.126 -5.705 1.00 0.00 O ATOM 106 CB GLU A 7 4.641 -11.697 -2.752 1.00 0.00 C ATOM 107 CG GLU A 7 3.691 -12.578 -3.548 1.00 0.00 C ATOM 108 CD GLU A 7 3.396 -13.893 -2.854 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.721 -13.872 -1.803 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.840 -14.945 -3.360 1.00 0.00 O ATOM 0 H GLU A 7 6.786 -10.937 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 7 6.192 -11.960 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.040 -12.270 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.082 -10.863 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.757 -12.041 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.122 -12.778 -4.529 1.00 0.00 H new ATOM 117 N LEU A 8 4.960 -8.906 -3.845 1.00 0.00 N ATOM 118 CA LEU A 8 4.518 -7.739 -4.580 1.00 0.00 C ATOM 119 C LEU A 8 5.674 -7.147 -5.375 1.00 0.00 C ATOM 120 O LEU A 8 5.471 -6.681 -6.492 1.00 0.00 O ATOM 121 CB LEU A 8 3.939 -6.674 -3.646 1.00 0.00 C ATOM 122 CG LEU A 8 3.785 -5.286 -4.280 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.640 -5.278 -5.283 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.566 -4.223 -3.216 1.00 0.00 C ATOM 0 H LEU A 8 4.960 -8.796 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 8 3.731 -8.059 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.963 -7.009 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.582 -6.590 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 8 4.710 -5.053 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.547 -4.284 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.841 -6.005 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.711 -5.539 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.460 -3.248 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.661 -4.452 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.420 -4.205 -2.539 1.00 0.00 H new ATOM 136 N ALA A 9 6.890 -7.171 -4.806 1.00 0.00 N ATOM 137 CA ALA A 9 8.054 -6.624 -5.498 1.00 0.00 C ATOM 138 C ALA A 9 8.290 -7.333 -6.823 1.00 0.00 C ATOM 139 O ALA A 9 8.366 -6.691 -7.869 1.00 0.00 O ATOM 140 CB ALA A 9 9.291 -6.702 -4.624 1.00 0.00 C ATOM 0 H ALA A 9 7.085 -7.558 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 9 7.850 -5.574 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.144 -6.288 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.127 -6.131 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.492 -7.743 -4.370 1.00 0.00 H new ATOM 146 N ALA A 10 8.391 -8.659 -6.780 1.00 0.00 N ATOM 147 CA ALA A 10 8.594 -9.437 -7.988 1.00 0.00 C ATOM 148 C ALA A 10 7.563 -9.030 -9.024 1.00 0.00 C ATOM 149 O ALA A 10 7.868 -8.905 -10.211 1.00 0.00 O ATOM 150 CB ALA A 10 8.499 -10.926 -7.690 1.00 0.00 C ATOM 0 H ALA A 10 8.335 -9.210 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 10 9.592 -9.240 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.654 -11.492 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.262 -11.201 -6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.513 -11.154 -7.286 1.00 0.00 H new ATOM 156 N ALA A 11 6.338 -8.799 -8.555 1.00 0.00 N ATOM 157 CA ALA A 11 5.264 -8.377 -9.438 1.00 0.00 C ATOM 158 C ALA A 11 5.567 -7.013 -10.025 1.00 0.00 C ATOM 159 O ALA A 11 5.294 -6.742 -11.194 1.00 0.00 O ATOM 160 CB ALA A 11 3.933 -8.371 -8.703 1.00 0.00 C ATOM 0 H ALA A 11 6.070 -8.897 -7.576 1.00 0.00 H new ATOM 0 HA ALA A 11 5.190 -9.092 -10.258 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.143 -8.052 -9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.714 -9.375 -8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.986 -7.682 -7.860 1.00 0.00 H new ATOM 166 N MET A 12 6.143 -6.173 -9.194 1.00 0.00 N ATOM 167 CA MET A 12 6.518 -4.816 -9.598 1.00 0.00 C ATOM 168 C MET A 12 7.484 -4.867 -10.771 1.00 0.00 C ATOM 169 O MET A 12 7.276 -4.210 -11.792 1.00 0.00 O ATOM 170 CB MET A 12 7.183 -4.060 -8.448 1.00 0.00 C ATOM 171 CG MET A 12 6.468 -4.186 -7.119 1.00 0.00 C ATOM 172 SD MET A 12 4.768 -3.602 -7.191 1.00 0.00 S ATOM 173 CE MET A 12 5.043 -1.859 -7.468 1.00 0.00 C ATOM 0 H MET A 12 6.368 -6.399 -8.225 1.00 0.00 H new ATOM 0 HA MET A 12 5.605 -4.294 -9.886 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.204 -4.423 -8.333 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.248 -3.005 -8.713 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.477 -5.229 -6.803 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.011 -3.619 -6.363 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.442 -1.280 -6.767 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.098 -1.629 -7.318 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.757 -1.603 -8.488 1.00 0.00 H new ATOM 183 N LYS A 13 8.545 -5.654 -10.610 1.00 0.00 N ATOM 184 CA LYS A 13 9.555 -5.801 -11.649 1.00 0.00 C ATOM 185 C LYS A 13 8.894 -6.142 -12.972 1.00 0.00 C ATOM 186 O LYS A 13 9.187 -5.535 -14.003 1.00 0.00 O ATOM 187 CB LYS A 13 10.561 -6.889 -11.268 1.00 0.00 C ATOM 188 CG LYS A 13 12.007 -6.499 -11.526 1.00 0.00 C ATOM 189 CD LYS A 13 12.562 -7.199 -12.754 1.00 0.00 C ATOM 190 CE LYS A 13 13.426 -6.266 -13.586 1.00 0.00 C ATOM 191 NZ LYS A 13 13.022 -6.263 -15.019 1.00 0.00 N ATOM 0 H LYS A 13 8.726 -6.200 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 13 10.089 -4.856 -11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.441 -7.129 -10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.333 -7.796 -11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.075 -5.419 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.614 -6.752 -10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.151 -8.063 -12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.739 -7.574 -13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.355 -5.254 -13.187 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.470 -6.569 -13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.636 -5.614 -15.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.114 -7.223 -15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.034 -5.949 -15.100 1.00 0.00 H new ATOM 205 N ARG A 14 7.988 -7.112 -12.932 1.00 0.00 N ATOM 206 CA ARG A 14 7.270 -7.528 -14.123 1.00 0.00 C ATOM 207 C ARG A 14 6.431 -6.375 -14.654 1.00 0.00 C ATOM 208 O ARG A 14 6.323 -6.179 -15.864 1.00 0.00 O ATOM 209 CB ARG A 14 6.378 -8.732 -13.818 1.00 0.00 C ATOM 210 CG ARG A 14 6.757 -9.982 -14.594 1.00 0.00 C ATOM 211 CD ARG A 14 7.009 -11.160 -13.666 1.00 0.00 C ATOM 212 NE ARG A 14 7.761 -12.224 -14.323 1.00 0.00 N ATOM 213 CZ ARG A 14 7.502 -13.518 -14.162 1.00 0.00 C ATOM 214 NH1 ARG A 14 6.512 -13.907 -13.369 1.00 0.00 N ATOM 215 NH2 ARG A 14 8.232 -14.426 -14.796 1.00 0.00 N ATOM 0 H ARG A 14 7.736 -7.623 -12.086 1.00 0.00 H new ATOM 0 HA ARG A 14 7.995 -7.819 -14.883 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.426 -8.948 -12.751 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.343 -8.474 -14.044 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.960 -10.233 -15.294 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.651 -9.787 -15.186 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.557 -10.819 -12.788 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.056 -11.554 -13.314 1.00 0.00 H new ATOM 0 HE ARG A 14 8.529 -11.960 -14.941 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.947 -13.212 -12.881 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.316 -14.901 -13.248 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.993 -14.132 -15.408 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.032 -15.418 -14.672 1.00 0.00 H new ATOM 229 N HIS A 15 5.811 -5.630 -13.739 1.00 0.00 N ATOM 230 CA HIS A 15 4.952 -4.517 -14.113 1.00 0.00 C ATOM 231 C HIS A 15 5.754 -3.287 -14.527 1.00 0.00 C ATOM 232 O HIS A 15 5.179 -2.306 -14.999 1.00 0.00 O ATOM 233 CB HIS A 15 4.031 -4.157 -12.948 1.00 0.00 C ATOM 234 CG HIS A 15 2.729 -4.895 -12.961 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.167 -5.449 -11.830 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.872 -5.166 -13.975 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.023 -6.028 -12.147 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.820 -5.870 -13.441 1.00 0.00 N ATOM 0 H HIS A 15 5.891 -5.781 -12.733 1.00 0.00 H new ATOM 0 HA HIS A 15 4.362 -4.835 -14.973 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.547 -4.365 -12.011 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.832 -3.086 -12.971 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.572 -5.417 -10.894 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.993 -4.882 -15.010 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.365 -6.543 -11.463 1.00 0.00 H new ATOM 247 N GLY A 16 7.080 -3.345 -14.404 1.00 0.00 N ATOM 248 CA GLY A 16 7.906 -2.232 -14.831 1.00 0.00 C ATOM 249 C GLY A 16 7.961 -1.054 -13.875 1.00 0.00 C ATOM 250 O GLY A 16 8.252 0.061 -14.310 1.00 0.00 O ATOM 0 H GLY A 16 7.592 -4.139 -14.018 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.921 -2.596 -14.990 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.539 -1.879 -15.795 1.00 0.00 H new ATOM 254 N LEU A 17 7.694 -1.256 -12.583 1.00 0.00 N ATOM 255 CA LEU A 17 7.743 -0.131 -11.654 1.00 0.00 C ATOM 256 C LEU A 17 9.135 0.036 -11.073 1.00 0.00 C ATOM 257 O LEU A 17 9.410 0.991 -10.350 1.00 0.00 O ATOM 258 CB LEU A 17 6.722 -0.279 -10.521 1.00 0.00 C ATOM 259 CG LEU A 17 5.361 -0.876 -10.897 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.266 -0.251 -10.049 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.041 -0.681 -12.375 1.00 0.00 C ATOM 0 H LEU A 17 7.450 -2.156 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 17 7.487 0.761 -12.226 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.164 -0.902 -9.743 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.553 0.705 -10.084 1.00 0.00 H new ATOM 0 HG LEU A 17 5.410 -1.948 -10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.303 -0.681 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.465 -0.448 -8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.244 0.825 -10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.068 -1.119 -12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.021 0.384 -12.605 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.805 -1.169 -12.980 1.00 0.00 H new ATOM 273 N ASP A 18 10.007 -0.893 -11.398 1.00 0.00 N ATOM 274 CA ASP A 18 11.379 -0.846 -10.907 1.00 0.00 C ATOM 275 C ASP A 18 12.168 0.255 -11.613 1.00 0.00 C ATOM 276 O ASP A 18 12.703 0.060 -12.706 1.00 0.00 O ATOM 277 CB ASP A 18 12.063 -2.206 -11.073 1.00 0.00 C ATOM 278 CG ASP A 18 13.568 -2.095 -11.214 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.226 -1.666 -10.243 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.090 -2.434 -12.297 1.00 0.00 O ATOM 0 H ASP A 18 9.798 -1.691 -11.998 1.00 0.00 H new ATOM 0 HA ASP A 18 11.353 -0.612 -9.843 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.829 -2.832 -10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.657 -2.707 -11.952 1.00 0.00 H new ATOM 285 N ASN A 19 12.224 1.412 -10.965 1.00 0.00 N ATOM 286 CA ASN A 19 12.933 2.580 -11.481 1.00 0.00 C ATOM 287 C ASN A 19 12.285 3.102 -12.745 1.00 0.00 C ATOM 288 O ASN A 19 12.955 3.611 -13.643 1.00 0.00 O ATOM 289 CB ASN A 19 14.409 2.258 -11.730 1.00 0.00 C ATOM 290 CG ASN A 19 15.332 3.348 -11.221 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.202 3.101 -10.386 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.146 4.563 -11.723 1.00 0.00 N ATOM 0 H ASN A 19 11.777 1.569 -10.062 1.00 0.00 H new ATOM 0 HA ASN A 19 12.874 3.362 -10.724 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.660 1.316 -11.242 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.572 2.117 -12.798 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.737 5.337 -11.418 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.412 4.723 -12.414 1.00 0.00 H new ATOM 299 N TYR A 20 10.970 3.002 -12.787 1.00 0.00 N ATOM 300 CA TYR A 20 10.220 3.500 -13.922 1.00 0.00 C ATOM 301 C TYR A 20 10.326 5.009 -13.910 1.00 0.00 C ATOM 302 O TYR A 20 10.814 5.564 -12.926 1.00 0.00 O ATOM 303 CB TYR A 20 8.755 3.061 -13.832 1.00 0.00 C ATOM 304 CG TYR A 20 7.938 3.398 -15.060 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.145 2.733 -16.262 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.959 4.383 -15.014 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.398 3.040 -17.383 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.208 4.694 -16.132 1.00 0.00 C ATOM 309 CZ TYR A 20 6.431 4.020 -17.313 1.00 0.00 C ATOM 310 OH TYR A 20 5.687 4.328 -18.429 1.00 0.00 O ATOM 0 H TYR A 20 10.402 2.582 -12.051 1.00 0.00 H new ATOM 0 HA TYR A 20 10.623 3.098 -14.852 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.718 1.984 -13.667 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.297 3.532 -12.962 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.901 1.964 -16.321 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.782 4.914 -14.090 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.571 2.514 -18.310 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.450 5.462 -16.080 1.00 0.00 H new ATOM 0 HH TYR A 20 5.049 5.039 -18.211 1.00 0.00 H new ATOM 320 N ARG A 21 9.912 5.668 -14.992 1.00 0.00 N ATOM 321 CA ARG A 21 9.987 7.124 -15.080 1.00 0.00 C ATOM 322 C ARG A 21 9.952 7.744 -13.686 1.00 0.00 C ATOM 323 O ARG A 21 10.634 8.730 -13.409 1.00 0.00 O ATOM 324 CB ARG A 21 8.834 7.667 -15.926 1.00 0.00 C ATOM 325 CG ARG A 21 9.133 7.695 -17.416 1.00 0.00 C ATOM 326 CD ARG A 21 7.906 7.337 -18.238 1.00 0.00 C ATOM 327 NE ARG A 21 6.999 8.471 -18.390 1.00 0.00 N ATOM 328 CZ ARG A 21 6.290 8.708 -19.491 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.386 7.892 -20.532 1.00 0.00 N ATOM 330 NH2 ARG A 21 5.487 9.761 -19.550 1.00 0.00 N ATOM 0 H ARG A 21 9.522 5.216 -15.819 1.00 0.00 H new ATOM 0 HA ARG A 21 10.929 7.392 -15.559 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.948 7.056 -15.753 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.594 8.677 -15.593 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.485 8.687 -17.699 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.939 6.996 -17.640 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.218 6.988 -19.222 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.378 6.512 -17.760 1.00 0.00 H new ATOM 0 HE ARG A 21 6.903 9.119 -17.608 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.004 7.082 -20.489 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.842 8.075 -21.375 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.412 10.391 -18.751 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.944 9.942 -20.394 1.00 0.00 H new ATOM 344 N GLY A 22 9.148 7.138 -12.814 1.00 0.00 N ATOM 345 CA GLY A 22 9.023 7.609 -11.453 1.00 0.00 C ATOM 346 C GLY A 22 10.153 7.133 -10.559 1.00 0.00 C ATOM 347 O GLY A 22 11.225 7.738 -10.533 1.00 0.00 O ATOM 0 H GLY A 22 8.578 6.321 -13.034 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.999 8.699 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.073 7.269 -11.042 1.00 0.00 H new ATOM 351 N TYR A 23 9.905 6.068 -9.793 1.00 0.00 N ATOM 352 CA TYR A 23 10.919 5.566 -8.870 1.00 0.00 C ATOM 353 C TYR A 23 11.173 4.069 -8.984 1.00 0.00 C ATOM 354 O TYR A 23 10.558 3.369 -9.788 1.00 0.00 O ATOM 355 CB TYR A 23 10.537 5.917 -7.434 1.00 0.00 C ATOM 356 CG TYR A 23 10.743 7.376 -7.093 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.848 8.344 -7.531 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.832 7.785 -6.334 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.031 9.677 -7.223 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.022 9.118 -6.022 1.00 0.00 C ATOM 361 CZ TYR A 23 11.119 10.060 -6.468 1.00 0.00 C ATOM 362 OH TYR A 23 11.307 11.387 -6.159 1.00 0.00 O ATOM 0 H TYR A 23 9.028 5.547 -9.794 1.00 0.00 H new ATOM 0 HA TYR A 23 11.851 6.057 -9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.491 5.659 -7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.126 5.306 -6.750 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.994 8.048 -8.123 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.541 7.050 -5.982 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.325 10.416 -7.572 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.874 9.421 -5.431 1.00 0.00 H new ATOM 0 HH TYR A 23 12.120 11.485 -5.620 1.00 0.00 H new ATOM 372 N SER A 24 12.119 3.605 -8.162 1.00 0.00 N ATOM 373 CA SER A 24 12.525 2.209 -8.136 1.00 0.00 C ATOM 374 C SER A 24 11.631 1.365 -7.238 1.00 0.00 C ATOM 375 O SER A 24 10.826 1.886 -6.465 1.00 0.00 O ATOM 376 CB SER A 24 13.976 2.093 -7.672 1.00 0.00 C ATOM 377 OG SER A 24 14.098 2.397 -6.293 1.00 0.00 O ATOM 0 H SER A 24 12.622 4.193 -7.497 1.00 0.00 H new ATOM 0 HA SER A 24 12.428 1.826 -9.152 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.341 1.083 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.602 2.770 -8.253 1.00 0.00 H new ATOM 0 HG SER A 24 13.406 3.042 -6.038 1.00 0.00 H new ATOM 383 N LEU A 25 11.795 0.054 -7.361 1.00 0.00 N ATOM 384 CA LEU A 25 11.036 -0.918 -6.590 1.00 0.00 C ATOM 385 C LEU A 25 10.887 -0.508 -5.126 1.00 0.00 C ATOM 386 O LEU A 25 9.771 -0.387 -4.622 1.00 0.00 O ATOM 387 CB LEU A 25 11.730 -2.275 -6.685 1.00 0.00 C ATOM 388 CG LEU A 25 11.070 -3.263 -7.634 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.110 -4.184 -8.251 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.009 -4.064 -6.901 1.00 0.00 C ATOM 0 H LEU A 25 12.465 -0.367 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 25 10.031 -0.973 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.760 -2.119 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.768 -2.718 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 25 10.589 -2.708 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.620 -4.885 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.837 -3.591 -8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.620 -4.737 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.543 -4.768 -7.591 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.470 -4.612 -6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.251 -3.388 -6.506 1.00 0.00 H new ATOM 402 N GLY A 26 12.014 -0.321 -4.444 1.00 0.00 N ATOM 403 CA GLY A 26 11.994 0.050 -3.036 1.00 0.00 C ATOM 404 C GLY A 26 10.956 1.107 -2.698 1.00 0.00 C ATOM 405 O GLY A 26 10.319 1.040 -1.647 1.00 0.00 O ATOM 0 H GLY A 26 12.947 -0.420 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.801 -0.840 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.980 0.418 -2.752 1.00 0.00 H new ATOM 409 N ASN A 27 10.790 2.087 -3.579 1.00 0.00 N ATOM 410 CA ASN A 27 9.824 3.159 -3.350 1.00 0.00 C ATOM 411 C ASN A 27 8.391 2.640 -3.427 1.00 0.00 C ATOM 412 O ASN A 27 7.512 3.112 -2.705 1.00 0.00 O ATOM 413 CB ASN A 27 10.029 4.289 -4.358 1.00 0.00 C ATOM 414 CG ASN A 27 11.460 4.789 -4.384 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.277 4.199 -5.249 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.828 5.695 -3.637 1.00 0.00 N flip ATOM 0 H ASN A 27 11.308 2.163 -4.454 1.00 0.00 H new ATOM 0 HA ASN A 27 9.991 3.547 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.751 3.940 -5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.363 5.116 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.167 6.121 -2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.794 6.020 -3.668 1.00 0.00 H new ATOM 423 N TRP A 28 8.163 1.663 -4.298 1.00 0.00 N ATOM 424 CA TRP A 28 6.836 1.075 -4.464 1.00 0.00 C ATOM 425 C TRP A 28 6.463 0.212 -3.273 1.00 0.00 C ATOM 426 O TRP A 28 5.328 0.253 -2.800 1.00 0.00 O ATOM 427 CB TRP A 28 6.785 0.255 -5.742 1.00 0.00 C ATOM 428 CG TRP A 28 6.997 1.105 -6.940 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.156 1.264 -7.625 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.027 1.938 -7.578 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.981 2.162 -8.644 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.675 2.585 -8.644 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.673 2.197 -7.349 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.018 3.480 -9.482 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.015 3.082 -8.180 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.688 3.716 -9.237 1.00 0.00 C ATOM 0 H TRP A 28 8.880 1.260 -4.901 1.00 0.00 H new ATOM 0 HA TRP A 28 6.112 1.887 -4.530 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.547 -0.524 -5.707 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.820 -0.246 -5.816 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.082 0.756 -7.400 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.703 2.467 -9.297 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.151 1.714 -6.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.534 3.970 -10.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.968 3.290 -8.015 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.148 4.404 -9.871 1.00 0.00 H new ATOM 447 N VAL A 29 7.418 -0.570 -2.785 1.00 0.00 N ATOM 448 CA VAL A 29 7.178 -1.439 -1.647 1.00 0.00 C ATOM 449 C VAL A 29 6.957 -0.625 -0.386 1.00 0.00 C ATOM 450 O VAL A 29 5.999 -0.846 0.347 1.00 0.00 O ATOM 451 CB VAL A 29 8.361 -2.401 -1.433 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.109 -3.320 -0.247 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.625 -3.204 -2.699 1.00 0.00 C ATOM 0 H VAL A 29 8.365 -0.618 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 29 6.281 -2.020 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 29 9.249 -1.809 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.960 -3.989 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.977 -2.722 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.209 -3.908 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.464 -3.880 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.738 -3.783 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.863 -2.525 -3.518 1.00 0.00 H new ATOM 463 N CYS A 30 7.855 0.311 -0.138 1.00 0.00 N ATOM 464 CA CYS A 30 7.768 1.163 1.035 1.00 0.00 C ATOM 465 C CYS A 30 6.444 1.927 1.065 1.00 0.00 C ATOM 466 O CYS A 30 5.752 1.954 2.086 1.00 0.00 O ATOM 467 CB CYS A 30 8.941 2.142 1.039 1.00 0.00 C ATOM 468 SG CYS A 30 9.281 2.898 2.655 1.00 0.00 S ATOM 0 H CYS A 30 8.658 0.501 -0.737 1.00 0.00 H new ATOM 0 HA CYS A 30 7.811 0.535 1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.836 1.620 0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.741 2.933 0.316 1.00 0.00 H new ATOM 473 N ALA A 31 6.101 2.550 -0.061 1.00 0.00 N ATOM 474 CA ALA A 31 4.869 3.323 -0.167 1.00 0.00 C ATOM 475 C ALA A 31 3.635 2.445 0.008 1.00 0.00 C ATOM 476 O ALA A 31 2.710 2.804 0.733 1.00 0.00 O ATOM 477 CB ALA A 31 4.815 4.041 -1.507 1.00 0.00 C ATOM 0 H ALA A 31 6.661 2.533 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 31 4.869 4.059 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.891 4.615 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.668 4.714 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.848 3.309 -2.314 1.00 0.00 H new ATOM 483 N ALA A 32 3.626 1.298 -0.663 1.00 0.00 N ATOM 484 CA ALA A 32 2.496 0.375 -0.587 1.00 0.00 C ATOM 485 C ALA A 32 2.378 -0.258 0.795 1.00 0.00 C ATOM 486 O ALA A 32 1.292 -0.304 1.373 1.00 0.00 O ATOM 487 CB ALA A 32 2.627 -0.703 -1.651 1.00 0.00 C ATOM 0 H ALA A 32 4.387 0.984 -1.265 1.00 0.00 H new ATOM 0 HA ALA A 32 1.586 0.948 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.779 -1.385 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.644 -0.240 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.552 -1.258 -1.495 1.00 0.00 H new ATOM 493 N LYS A 33 3.497 -0.758 1.311 1.00 0.00 N ATOM 494 CA LYS A 33 3.528 -1.407 2.618 1.00 0.00 C ATOM 495 C LYS A 33 2.812 -0.580 3.673 1.00 0.00 C ATOM 496 O LYS A 33 1.895 -1.062 4.333 1.00 0.00 O ATOM 497 CB LYS A 33 4.974 -1.644 3.056 1.00 0.00 C ATOM 498 CG LYS A 33 5.097 -2.389 4.375 1.00 0.00 C ATOM 499 CD LYS A 33 6.265 -1.872 5.200 1.00 0.00 C ATOM 500 CE LYS A 33 6.201 -2.378 6.632 1.00 0.00 C ATOM 501 NZ LYS A 33 6.415 -3.849 6.712 1.00 0.00 N ATOM 0 H LYS A 33 4.401 -0.725 0.840 1.00 0.00 H new ATOM 0 HA LYS A 33 3.010 -2.361 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.492 -2.208 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.480 -0.683 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.173 -2.281 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.230 -3.454 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.203 -2.187 4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.260 -0.782 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.956 -1.868 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.231 -2.129 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.364 -4.154 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.680 -4.337 6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.351 -4.085 6.325 1.00 0.00 H new ATOM 515 N PHE A 34 3.247 0.657 3.849 1.00 0.00 N ATOM 516 CA PHE A 34 2.646 1.521 4.853 1.00 0.00 C ATOM 517 C PHE A 34 1.294 2.057 4.415 1.00 0.00 C ATOM 518 O PHE A 34 0.494 2.490 5.245 1.00 0.00 O ATOM 519 CB PHE A 34 3.581 2.662 5.202 1.00 0.00 C ATOM 520 CG PHE A 34 4.496 2.360 6.355 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.999 2.262 7.644 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.853 2.175 6.148 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.839 1.984 8.706 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.698 1.898 7.206 1.00 0.00 C ATOM 525 CZ PHE A 34 6.190 1.802 8.486 1.00 0.00 C ATOM 0 H PHE A 34 4.006 1.082 3.316 1.00 0.00 H new ATOM 0 HA PHE A 34 2.480 0.913 5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.182 2.908 4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.989 3.545 5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.943 2.404 7.821 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.255 2.248 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.439 1.909 9.706 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.754 1.757 7.032 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.848 1.585 9.314 1.00 0.00 H new ATOM 535 N GLU A 35 1.040 2.039 3.117 1.00 0.00 N ATOM 536 CA GLU A 35 -0.217 2.535 2.580 1.00 0.00 C ATOM 537 C GLU A 35 -1.403 1.683 3.017 1.00 0.00 C ATOM 538 O GLU A 35 -2.383 2.195 3.560 1.00 0.00 O ATOM 539 CB GLU A 35 -0.141 2.548 1.055 1.00 0.00 C ATOM 540 CG GLU A 35 -0.199 3.941 0.453 1.00 0.00 C ATOM 541 CD GLU A 35 0.372 3.990 -0.949 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.359 3.641 -1.898 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.551 4.374 -1.098 1.00 0.00 O ATOM 0 H GLU A 35 1.689 1.685 2.414 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.371 3.542 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.785 2.065 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.962 1.954 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.234 4.282 0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.352 4.632 1.091 1.00 0.00 H new ATOM 550 N SER A 36 -1.326 0.392 2.727 1.00 0.00 N ATOM 551 CA SER A 36 -2.418 -0.527 3.038 1.00 0.00 C ATOM 552 C SER A 36 -1.927 -1.787 3.737 1.00 0.00 C ATOM 553 O SER A 36 -2.654 -2.776 3.816 1.00 0.00 O ATOM 554 CB SER A 36 -3.126 -0.918 1.736 1.00 0.00 C ATOM 555 OG SER A 36 -2.187 -1.337 0.761 1.00 0.00 O ATOM 0 H SER A 36 -0.521 -0.045 2.278 1.00 0.00 H new ATOM 0 HA SER A 36 -3.102 -0.017 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.838 -1.720 1.930 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.696 -0.070 1.358 1.00 0.00 H new ATOM 0 HG SER A 36 -1.955 -0.580 0.184 1.00 0.00 H new ATOM 561 N ASN A 37 -0.691 -1.766 4.216 1.00 0.00 N ATOM 562 CA ASN A 37 -0.125 -2.940 4.868 1.00 0.00 C ATOM 563 C ASN A 37 -0.131 -4.094 3.875 1.00 0.00 C ATOM 564 O ASN A 37 -0.214 -5.260 4.249 1.00 0.00 O ATOM 565 CB ASN A 37 -0.923 -3.309 6.122 1.00 0.00 C ATOM 566 CG ASN A 37 -0.571 -2.434 7.309 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.414 -1.220 7.176 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.445 -3.048 8.480 1.00 0.00 N ATOM 0 H ASN A 37 -0.067 -0.960 4.167 1.00 0.00 H new ATOM 0 HA ASN A 37 0.896 -2.724 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.989 -3.219 5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.735 -4.353 6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.209 -2.511 9.315 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.584 -4.056 8.545 1.00 0.00 H new ATOM 575 N PHE A 38 -0.033 -3.719 2.600 1.00 0.00 N ATOM 576 CA PHE A 38 -0.016 -4.637 1.473 1.00 0.00 C ATOM 577 C PHE A 38 -1.393 -5.222 1.213 1.00 0.00 C ATOM 578 O PHE A 38 -1.524 -6.259 0.571 1.00 0.00 O ATOM 579 CB PHE A 38 1.040 -5.727 1.660 1.00 0.00 C ATOM 580 CG PHE A 38 2.432 -5.214 1.436 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.719 -4.428 0.331 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.448 -5.500 2.332 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.992 -3.940 0.122 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.724 -5.013 2.128 1.00 0.00 C ATOM 585 CZ PHE A 38 4.997 -4.233 1.021 1.00 0.00 C ATOM 0 H PHE A 38 0.038 -2.741 2.320 1.00 0.00 H new ATOM 0 HA PHE A 38 0.262 -4.067 0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.963 -6.135 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.841 -6.546 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.936 -4.195 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.241 -6.110 3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.202 -3.330 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.509 -5.242 2.834 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.995 -3.853 0.859 1.00 0.00 H new ATOM 595 N ASN A 39 -2.425 -4.522 1.676 1.00 0.00 N ATOM 596 CA ASN A 39 -3.796 -4.956 1.456 1.00 0.00 C ATOM 597 C ASN A 39 -4.300 -4.396 0.136 1.00 0.00 C ATOM 598 O ASN A 39 -4.511 -3.192 -0.002 1.00 0.00 O ATOM 599 CB ASN A 39 -4.697 -4.505 2.605 1.00 0.00 C ATOM 600 CG ASN A 39 -5.951 -5.350 2.721 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.490 -5.824 1.722 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.422 -5.541 3.948 1.00 0.00 N ATOM 0 H ASN A 39 -2.336 -3.654 2.204 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.820 -6.045 1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.140 -4.555 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.977 -3.462 2.456 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.263 -6.100 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.942 -5.129 4.748 1.00 0.00 H new ATOM 609 N THR A 40 -4.459 -5.276 -0.837 1.00 0.00 N ATOM 610 CA THR A 40 -4.900 -4.882 -2.162 1.00 0.00 C ATOM 611 C THR A 40 -6.407 -4.697 -2.192 1.00 0.00 C ATOM 612 O THR A 40 -6.965 -4.151 -3.144 1.00 0.00 O ATOM 613 CB THR A 40 -4.487 -5.937 -3.204 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.530 -6.907 -3.364 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.207 -6.637 -2.778 1.00 0.00 C ATOM 0 H THR A 40 -4.287 -6.276 -0.732 1.00 0.00 H new ATOM 0 HA THR A 40 -4.423 -3.933 -2.408 1.00 0.00 H new ATOM 0 HB THR A 40 -4.314 -5.430 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.258 -7.573 -4.030 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.931 -7.379 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.406 -5.904 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.364 -7.131 -1.819 1.00 0.00 H new ATOM 623 N GLN A 41 -7.055 -5.178 -1.143 1.00 0.00 N ATOM 624 CA GLN A 41 -8.500 -5.099 -1.028 1.00 0.00 C ATOM 625 C GLN A 41 -8.935 -4.119 0.063 1.00 0.00 C ATOM 626 O GLN A 41 -10.127 -3.985 0.341 1.00 0.00 O ATOM 627 CB GLN A 41 -9.050 -6.491 -0.730 1.00 0.00 C ATOM 628 CG GLN A 41 -9.423 -7.281 -1.973 1.00 0.00 C ATOM 629 CD GLN A 41 -10.275 -8.494 -1.658 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.429 -8.369 -1.250 1.00 0.00 O ATOM 631 NE2 GLN A 41 -9.707 -9.681 -1.847 1.00 0.00 N ATOM 0 H GLN A 41 -6.596 -5.631 -0.353 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.899 -4.728 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.306 -7.052 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.930 -6.395 -0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.962 -6.632 -2.663 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.514 -7.602 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.747 -9.739 -2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.231 -10.534 -1.652 1.00 0.00 H new ATOM 640 N ALA A 42 -7.971 -3.449 0.688 1.00 0.00 N ATOM 641 CA ALA A 42 -8.273 -2.503 1.757 1.00 0.00 C ATOM 642 C ALA A 42 -8.701 -1.141 1.224 1.00 0.00 C ATOM 643 O ALA A 42 -8.307 -0.722 0.131 1.00 0.00 O ATOM 644 CB ALA A 42 -7.076 -2.340 2.677 1.00 0.00 C ATOM 0 H ALA A 42 -6.978 -3.543 0.474 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.112 -2.917 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.319 -1.631 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.823 -3.304 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.226 -1.968 2.105 1.00 0.00 H new ATOM 650 N THR A 43 -9.501 -0.456 2.030 1.00 0.00 N ATOM 651 CA THR A 43 -10.001 0.872 1.699 1.00 0.00 C ATOM 652 C THR A 43 -9.659 1.854 2.817 1.00 0.00 C ATOM 653 O THR A 43 -9.763 1.517 3.996 1.00 0.00 O ATOM 654 CB THR A 43 -11.528 0.861 1.492 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.194 1.121 2.734 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.992 -0.479 0.938 1.00 0.00 C ATOM 0 H THR A 43 -9.822 -0.806 2.933 1.00 0.00 H new ATOM 0 HA THR A 43 -9.524 1.182 0.770 1.00 0.00 H new ATOM 0 HB THR A 43 -11.778 1.641 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.164 1.114 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.073 -0.461 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.508 -0.664 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.728 -1.273 1.637 1.00 0.00 H new ATOM 664 N ASN A 44 -9.249 3.066 2.452 1.00 0.00 N ATOM 665 CA ASN A 44 -8.893 4.077 3.444 1.00 0.00 C ATOM 666 C ASN A 44 -9.690 5.360 3.228 1.00 0.00 C ATOM 667 O ASN A 44 -9.389 6.146 2.329 1.00 0.00 O ATOM 668 CB ASN A 44 -7.395 4.377 3.384 1.00 0.00 C ATOM 669 CG ASN A 44 -6.660 3.902 4.621 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.182 2.769 4.677 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.567 4.768 5.624 1.00 0.00 N ATOM 0 H ASN A 44 -9.155 3.371 1.483 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.138 3.682 4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.966 3.898 2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.247 5.450 3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.085 4.504 6.483 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.978 5.697 5.535 1.00 0.00 H new ATOM 678 N ARG A 45 -10.710 5.563 4.058 1.00 0.00 N ATOM 679 CA ARG A 45 -11.554 6.749 3.958 1.00 0.00 C ATOM 680 C ARG A 45 -10.861 7.968 4.557 1.00 0.00 C ATOM 681 O ARG A 45 -10.485 7.969 5.730 1.00 0.00 O ATOM 682 CB ARG A 45 -12.889 6.508 4.663 1.00 0.00 C ATOM 683 CG ARG A 45 -14.099 6.803 3.792 1.00 0.00 C ATOM 684 CD ARG A 45 -15.230 5.824 4.060 1.00 0.00 C ATOM 685 NE ARG A 45 -16.527 6.492 4.137 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.967 7.127 5.220 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.217 7.179 6.312 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.158 7.709 5.210 1.00 0.00 N ATOM 0 H ARG A 45 -10.971 4.922 4.807 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.737 6.945 2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.934 5.470 4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.935 7.129 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.444 7.820 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.813 6.752 2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.255 5.074 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.038 5.296 4.994 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.129 6.470 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.300 6.732 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.557 7.666 7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.738 7.670 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.495 8.196 6.041 1.00 0.00 H new ATOM 702 N ASN A 46 -10.701 9.008 3.743 1.00 0.00 N ATOM 703 CA ASN A 46 -10.057 10.239 4.190 1.00 0.00 C ATOM 704 C ASN A 46 -11.094 11.315 4.494 1.00 0.00 C ATOM 705 O ASN A 46 -12.289 11.120 4.276 1.00 0.00 O ATOM 706 CB ASN A 46 -9.080 10.744 3.128 1.00 0.00 C ATOM 707 CG ASN A 46 -8.373 9.612 2.406 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.367 9.088 2.885 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.898 9.229 1.248 1.00 0.00 N ATOM 0 H ASN A 46 -11.009 9.023 2.771 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.507 10.019 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.619 11.353 2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.339 11.390 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.466 8.472 0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.733 9.692 0.889 1.00 0.00 H new ATOM 716 N THR A 47 -10.623 12.448 5.000 1.00 0.00 N ATOM 717 CA THR A 47 -11.506 13.560 5.338 1.00 0.00 C ATOM 718 C THR A 47 -11.837 14.397 4.108 1.00 0.00 C ATOM 719 O THR A 47 -12.745 15.227 4.136 1.00 0.00 O ATOM 720 CB THR A 47 -10.877 14.471 6.410 1.00 0.00 C ATOM 721 OG1 THR A 47 -9.579 14.904 5.985 1.00 0.00 O ATOM 722 CG2 THR A 47 -10.762 13.743 7.740 1.00 0.00 C ATOM 0 H THR A 47 -9.635 12.622 5.186 1.00 0.00 H new ATOM 0 HA THR A 47 -12.423 13.124 5.733 1.00 0.00 H new ATOM 0 HB THR A 47 -11.524 15.338 6.543 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.187 15.484 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.315 14.406 8.480 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.754 13.440 8.076 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.134 12.860 7.618 1.00 0.00 H new ATOM 730 N ASP A 48 -11.094 14.175 3.028 1.00 0.00 N ATOM 731 CA ASP A 48 -11.310 14.909 1.786 1.00 0.00 C ATOM 732 C ASP A 48 -12.546 14.395 1.055 1.00 0.00 C ATOM 733 O ASP A 48 -12.964 14.963 0.045 1.00 0.00 O ATOM 734 CB ASP A 48 -10.083 14.795 0.880 1.00 0.00 C ATOM 735 CG ASP A 48 -9.619 13.361 0.707 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.448 12.443 0.878 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.426 13.157 0.398 1.00 0.00 O ATOM 0 H ASP A 48 -10.337 13.493 2.988 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.470 15.957 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.316 15.218 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.270 15.388 1.299 1.00 0.00 H new ATOM 742 N GLY A 49 -13.128 13.317 1.573 1.00 0.00 N ATOM 743 CA GLY A 49 -14.311 12.745 0.960 1.00 0.00 C ATOM 744 C GLY A 49 -14.000 11.504 0.143 1.00 0.00 C ATOM 745 O GLY A 49 -14.806 10.576 0.081 1.00 0.00 O ATOM 0 H GLY A 49 -12.800 12.830 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.033 12.493 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.780 13.491 0.318 1.00 0.00 H new ATOM 749 N SER A 50 -12.828 11.488 -0.483 1.00 0.00 N ATOM 750 CA SER A 50 -12.414 10.351 -1.297 1.00 0.00 C ATOM 751 C SER A 50 -11.953 9.192 -0.421 1.00 0.00 C ATOM 752 O SER A 50 -11.986 9.275 0.808 1.00 0.00 O ATOM 753 CB SER A 50 -11.297 10.755 -2.262 1.00 0.00 C ATOM 754 OG SER A 50 -10.512 11.805 -1.726 1.00 0.00 O ATOM 0 H SER A 50 -12.149 12.248 -0.442 1.00 0.00 H new ATOM 0 HA SER A 50 -13.277 10.024 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.663 9.893 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.729 11.069 -3.212 1.00 0.00 H new ATOM 0 HG SER A 50 -10.363 11.647 -0.770 1.00 0.00 H new ATOM 760 N THR A 51 -11.530 8.110 -1.063 1.00 0.00 N ATOM 761 CA THR A 51 -11.069 6.927 -0.349 1.00 0.00 C ATOM 762 C THR A 51 -9.905 6.260 -1.073 1.00 0.00 C ATOM 763 O THR A 51 -9.610 6.580 -2.223 1.00 0.00 O ATOM 764 CB THR A 51 -12.209 5.906 -0.183 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.459 6.588 -0.019 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.965 5.000 1.015 1.00 0.00 C ATOM 0 H THR A 51 -11.497 8.028 -2.079 1.00 0.00 H new ATOM 0 HA THR A 51 -10.733 7.258 0.634 1.00 0.00 H new ATOM 0 HB THR A 51 -12.242 5.290 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.188 6.018 -0.342 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.786 4.289 1.107 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.030 4.458 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.904 5.603 1.921 1.00 0.00 H new ATOM 774 N ASP A 52 -9.249 5.328 -0.388 1.00 0.00 N ATOM 775 CA ASP A 52 -8.117 4.604 -0.957 1.00 0.00 C ATOM 776 C ASP A 52 -8.450 3.130 -1.106 1.00 0.00 C ATOM 777 O ASP A 52 -8.212 2.334 -0.199 1.00 0.00 O ATOM 778 CB ASP A 52 -6.884 4.777 -0.070 1.00 0.00 C ATOM 779 CG ASP A 52 -6.426 6.220 0.008 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.185 6.825 -1.058 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.308 6.747 1.134 1.00 0.00 O ATOM 0 H ASP A 52 -9.484 5.055 0.567 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.904 5.013 -1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.108 4.415 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.072 4.161 -0.457 1.00 0.00 H new ATOM 786 N TYR A 53 -9.011 2.775 -2.256 1.00 0.00 N ATOM 787 CA TYR A 53 -9.388 1.397 -2.516 1.00 0.00 C ATOM 788 C TYR A 53 -8.294 0.640 -3.259 1.00 0.00 C ATOM 789 O TYR A 53 -8.379 0.457 -4.471 1.00 0.00 O ATOM 790 CB TYR A 53 -10.677 1.333 -3.338 1.00 0.00 C ATOM 791 CG TYR A 53 -11.837 2.113 -2.760 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.544 1.633 -1.665 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.235 3.319 -3.320 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.612 2.335 -1.142 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.304 4.027 -2.804 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.989 3.531 -1.716 1.00 0.00 C ATOM 797 OH TYR A 53 -15.054 4.232 -1.199 1.00 0.00 O ATOM 0 H TYR A 53 -9.213 3.422 -3.019 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.543 0.926 -1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.471 1.706 -4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.974 0.289 -3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.254 0.695 -1.215 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.701 3.711 -4.173 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.149 1.950 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.601 4.964 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.124 4.058 -0.237 1.00 0.00 H new ATOM 807 N GLY A 54 -7.249 0.222 -2.560 1.00 0.00 N ATOM 808 CA GLY A 54 -6.186 -0.503 -3.232 1.00 0.00 C ATOM 809 C GLY A 54 -4.926 -0.623 -2.405 1.00 0.00 C ATOM 810 O GLY A 54 -4.732 0.122 -1.444 1.00 0.00 O ATOM 0 H GLY A 54 -7.117 0.367 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.542 -1.502 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.950 -0.000 -4.170 1.00 0.00 H new ATOM 814 N ILE A 55 -4.046 -1.543 -2.802 1.00 0.00 N ATOM 815 CA ILE A 55 -2.780 -1.723 -2.107 1.00 0.00 C ATOM 816 C ILE A 55 -1.943 -0.470 -2.308 1.00 0.00 C ATOM 817 O ILE A 55 -1.092 -0.126 -1.487 1.00 0.00 O ATOM 818 CB ILE A 55 -2.000 -2.949 -2.632 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.788 -3.231 -1.739 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.559 -2.719 -4.070 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.146 -4.576 -1.997 1.00 0.00 C ATOM 0 H ILE A 55 -4.189 -2.168 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.986 -1.895 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.658 -3.818 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.045 -2.448 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.097 -3.179 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.011 -3.591 -4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.435 -2.560 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.915 -1.841 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.705 -4.707 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.874 -5.367 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.194 -4.624 -3.031 1.00 0.00 H new ATOM 833 N LEU A 56 -2.234 0.225 -3.406 1.00 0.00 N ATOM 834 CA LEU A 56 -1.561 1.468 -3.740 1.00 0.00 C ATOM 835 C LEU A 56 -2.530 2.629 -3.536 1.00 0.00 C ATOM 836 O LEU A 56 -2.226 3.773 -3.874 1.00 0.00 O ATOM 837 CB LEU A 56 -1.052 1.450 -5.190 1.00 0.00 C ATOM 838 CG LEU A 56 0.458 1.682 -5.366 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.931 2.842 -4.502 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.230 0.416 -5.029 1.00 0.00 C ATOM 0 H LEU A 56 -2.941 -0.060 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.697 1.588 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.308 0.488 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.587 2.214 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 56 0.647 1.937 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.002 2.988 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.401 3.750 -4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.730 2.621 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.297 0.595 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.032 0.134 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.915 -0.390 -5.692 1.00 0.00 H new ATOM 852 N GLN A 57 -3.700 2.313 -2.965 1.00 0.00 N ATOM 853 CA GLN A 57 -4.735 3.307 -2.684 1.00 0.00 C ATOM 854 C GLN A 57 -5.393 3.825 -3.960 1.00 0.00 C ATOM 855 O GLN A 57 -5.117 4.946 -4.388 1.00 0.00 O ATOM 856 CB GLN A 57 -4.144 4.477 -1.893 1.00 0.00 C ATOM 857 CG GLN A 57 -3.520 4.062 -0.571 1.00 0.00 C ATOM 858 CD GLN A 57 -3.373 5.224 0.394 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.669 6.265 -0.035 1.00 0.00 O flip ATOM 860 NE2 GLN A 57 -3.887 5.186 1.512 1.00 0.00 N flip ATOM 0 H GLN A 57 -3.951 1.364 -2.687 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.505 2.815 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.388 4.972 -2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.929 5.209 -1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.134 3.288 -0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.540 3.623 -0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.420 4.366 1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.780 5.975 2.150 1.00 0.00 H new ATOM 869 N ILE A 58 -6.257 3.014 -4.580 1.00 0.00 N ATOM 870 CA ILE A 58 -6.913 3.434 -5.800 1.00 0.00 C ATOM 871 C ILE A 58 -8.193 4.178 -5.476 1.00 0.00 C ATOM 872 O ILE A 58 -9.246 3.573 -5.273 1.00 0.00 O ATOM 873 CB ILE A 58 -7.218 2.239 -6.728 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.918 1.663 -7.296 1.00 0.00 C ATOM 875 CG2 ILE A 58 -8.146 2.663 -7.859 1.00 0.00 C ATOM 876 CD1 ILE A 58 -5.020 1.030 -6.254 1.00 0.00 C ATOM 0 H ILE A 58 -6.508 2.080 -4.256 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.230 4.099 -6.328 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.717 1.467 -6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.163 0.917 -8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.369 2.459 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.350 1.807 -8.503 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.082 3.034 -7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.671 3.451 -8.443 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.120 0.646 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.743 1.777 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.549 0.211 -5.767 1.00 0.00 H new ATOM 888 N ASN A 59 -8.094 5.498 -5.431 1.00 0.00 N ATOM 889 CA ASN A 59 -9.244 6.327 -5.140 1.00 0.00 C ATOM 890 C ASN A 59 -10.270 6.174 -6.250 1.00 0.00 C ATOM 891 O ASN A 59 -10.138 6.777 -7.311 1.00 0.00 O ATOM 892 CB ASN A 59 -8.824 7.792 -5.005 1.00 0.00 C ATOM 893 CG ASN A 59 -9.999 8.711 -4.725 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.037 8.175 -4.093 1.00 0.00 O flip ATOM 895 ND2 ASN A 59 -9.972 9.892 -5.071 1.00 0.00 N flip ATOM 0 H ASN A 59 -7.229 6.013 -5.593 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.685 6.009 -4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.095 7.885 -4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.329 8.110 -5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.154 10.263 -5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.767 10.499 -4.874 1.00 0.00 H new ATOM 902 N SER A 60 -11.289 5.363 -6.007 1.00 0.00 N ATOM 903 CA SER A 60 -12.332 5.136 -7.001 1.00 0.00 C ATOM 904 C SER A 60 -13.083 6.426 -7.335 1.00 0.00 C ATOM 905 O SER A 60 -13.847 6.471 -8.299 1.00 0.00 O ATOM 906 CB SER A 60 -13.317 4.078 -6.501 1.00 0.00 C ATOM 907 OG SER A 60 -14.358 4.669 -5.742 1.00 0.00 O ATOM 0 H SER A 60 -11.417 4.852 -5.134 1.00 0.00 H new ATOM 0 HA SER A 60 -11.848 4.782 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.741 3.541 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.789 3.345 -5.891 1.00 0.00 H new ATOM 0 HG SER A 60 -14.252 4.428 -4.798 1.00 0.00 H new ATOM 913 N ARG A 61 -12.863 7.475 -6.543 1.00 0.00 N ATOM 914 CA ARG A 61 -13.526 8.756 -6.776 1.00 0.00 C ATOM 915 C ARG A 61 -12.787 9.560 -7.840 1.00 0.00 C ATOM 916 O ARG A 61 -13.374 9.972 -8.841 1.00 0.00 O ATOM 917 CB ARG A 61 -13.605 9.558 -5.476 1.00 0.00 C ATOM 918 CG ARG A 61 -14.549 10.748 -5.552 1.00 0.00 C ATOM 919 CD ARG A 61 -13.790 12.064 -5.510 1.00 0.00 C ATOM 920 NE ARG A 61 -13.985 12.768 -4.244 1.00 0.00 N ATOM 921 CZ ARG A 61 -13.937 14.091 -4.122 1.00 0.00 C ATOM 922 NH1 ARG A 61 -13.702 14.851 -5.183 1.00 0.00 N ATOM 923 NH2 ARG A 61 -14.126 14.656 -2.937 1.00 0.00 N ATOM 0 H ARG A 61 -12.235 7.463 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.537 8.557 -7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.929 8.898 -4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.607 9.912 -5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.133 10.693 -6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.255 10.707 -4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.727 11.874 -5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.119 12.699 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.168 12.213 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.557 14.421 -6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.666 15.866 -5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.308 14.075 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.089 15.671 -2.844 1.00 0.00 H new ATOM 937 N TRP A 62 -11.494 9.770 -7.619 1.00 0.00 N ATOM 938 CA TRP A 62 -10.669 10.516 -8.561 1.00 0.00 C ATOM 939 C TRP A 62 -10.270 9.625 -9.731 1.00 0.00 C ATOM 940 O TRP A 62 -10.322 10.038 -10.889 1.00 0.00 O ATOM 941 CB TRP A 62 -9.418 11.058 -7.866 1.00 0.00 C ATOM 942 CG TRP A 62 -9.268 12.545 -7.983 1.00 0.00 C ATOM 943 CD1 TRP A 62 -9.377 13.294 -9.119 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.978 13.463 -6.922 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.175 14.623 -8.829 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.927 14.751 -7.488 1.00 0.00 C ATOM 947 CE3 TRP A 62 -8.758 13.321 -5.549 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.665 15.889 -6.728 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -8.497 14.450 -4.796 1.00 0.00 C ATOM 950 CH2 TRP A 62 -8.454 15.719 -5.386 1.00 0.00 C ATOM 0 H TRP A 62 -10.995 9.434 -6.795 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.251 11.357 -8.938 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.451 10.786 -6.811 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.538 10.577 -8.292 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.591 12.900 -10.102 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.205 15.388 -9.503 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -8.791 12.346 -5.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.630 16.869 -7.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -8.323 14.352 -3.735 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -8.250 16.582 -4.769 1.00 0.00 H new ATOM 961 N TRP A 63 -9.879 8.396 -9.413 1.00 0.00 N ATOM 962 CA TRP A 63 -9.477 7.432 -10.428 1.00 0.00 C ATOM 963 C TRP A 63 -10.555 6.377 -10.639 1.00 0.00 C ATOM 964 O TRP A 63 -11.367 6.118 -9.753 1.00 0.00 O ATOM 965 CB TRP A 63 -8.170 6.738 -10.034 1.00 0.00 C ATOM 966 CG TRP A 63 -7.118 7.672 -9.524 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.522 7.660 -8.296 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.539 8.755 -10.242 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.596 8.676 -8.215 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.592 9.364 -9.401 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.734 9.266 -11.520 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.839 10.464 -9.805 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.997 10.353 -11.923 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.055 10.947 -11.070 1.00 0.00 C ATOM 0 H TRP A 63 -9.832 8.044 -8.457 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.329 7.983 -11.357 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.383 5.992 -9.268 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.779 6.203 -10.899 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.744 6.958 -7.506 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.010 8.883 -7.406 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.454 8.815 -12.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.113 10.919 -9.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.145 10.757 -12.913 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.490 11.800 -11.416 1.00 0.00 H new ATOM 985 N CYS A 64 -10.515 5.753 -11.811 1.00 0.00 N ATOM 986 CA CYS A 64 -11.443 4.687 -12.190 1.00 0.00 C ATOM 987 C CYS A 64 -12.907 5.030 -11.940 1.00 0.00 C ATOM 988 O CYS A 64 -13.250 5.838 -11.078 1.00 0.00 O ATOM 989 CB CYS A 64 -11.085 3.385 -11.460 1.00 0.00 C ATOM 990 SG CYS A 64 -11.916 3.157 -9.849 1.00 0.00 S ATOM 0 H CYS A 64 -9.831 5.974 -12.535 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.332 4.561 -13.267 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.336 2.543 -12.105 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.007 3.357 -11.304 1.00 0.00 H new ATOM 995 N ASN A 65 -13.773 4.385 -12.714 1.00 0.00 N ATOM 996 CA ASN A 65 -15.211 4.585 -12.594 1.00 0.00 C ATOM 997 C ASN A 65 -15.836 3.443 -11.801 1.00 0.00 C ATOM 998 O ASN A 65 -15.906 2.309 -12.275 1.00 0.00 O ATOM 999 CB ASN A 65 -15.856 4.675 -13.979 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.173 5.427 -13.957 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.942 5.327 -13.001 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.439 6.186 -15.013 1.00 0.00 N ATOM 0 H ASN A 65 -13.501 3.716 -13.434 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.387 5.522 -12.065 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.169 5.171 -14.665 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.022 3.669 -14.365 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.310 6.716 -15.054 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.773 6.240 -15.783 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.279 3.745 -10.585 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.885 2.738 -9.722 1.00 0.00 C ATOM 1011 C ASP A 66 -18.407 2.828 -9.744 1.00 0.00 C ATOM 1012 O ASP A 66 -19.098 1.898 -9.325 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.371 2.890 -8.289 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.882 4.152 -7.620 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.103 5.154 -8.332 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.059 4.137 -6.384 1.00 0.00 O ATOM 0 H ASP A 66 -16.230 4.678 -10.175 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.600 1.757 -10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.676 2.023 -7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.281 2.902 -8.297 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.928 3.947 -10.238 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.367 4.128 -10.308 1.00 0.00 C ATOM 1023 C GLY A 67 -21.001 4.358 -8.948 1.00 0.00 C ATOM 1024 O GLY A 67 -22.162 4.760 -8.859 1.00 0.00 O ATOM 0 H GLY A 67 -18.380 4.731 -10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.590 4.976 -10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.817 3.248 -10.769 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.241 4.104 -7.886 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.743 4.287 -6.528 1.00 0.00 C ATOM 1030 C ARG A 68 -20.610 5.742 -6.091 1.00 0.00 C ATOM 1031 O ARG A 68 -21.026 6.111 -4.992 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.984 3.380 -5.557 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.735 2.106 -5.202 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.447 1.669 -3.775 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.121 0.418 -3.439 1.00 0.00 N ATOM 1036 CZ ARG A 68 -22.094 0.324 -2.537 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.505 1.403 -1.884 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -22.658 -0.850 -2.288 1.00 0.00 N ATOM 0 H ARG A 68 -19.278 3.772 -7.940 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.799 4.018 -6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.023 3.115 -5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.774 3.935 -4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.806 2.267 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.451 1.311 -5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.372 1.548 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.767 2.450 -3.085 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.829 -0.431 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.075 2.308 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -23.251 1.327 -1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.346 -1.682 -2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -23.404 -0.921 -1.596 1.00 0.00 H new ATOM 1052 N THR A 69 -20.029 6.563 -6.959 1.00 0.00 N ATOM 1053 CA THR A 69 -19.842 7.978 -6.665 1.00 0.00 C ATOM 1054 C THR A 69 -20.144 8.837 -7.891 1.00 0.00 C ATOM 1055 O THR A 69 -19.517 8.678 -8.939 1.00 0.00 O ATOM 1056 CB THR A 69 -18.405 8.269 -6.192 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.906 7.161 -5.432 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.360 9.532 -5.346 1.00 0.00 C ATOM 0 H THR A 69 -19.679 6.272 -7.872 1.00 0.00 H new ATOM 0 HA THR A 69 -20.538 8.230 -5.865 1.00 0.00 H new ATOM 0 HB THR A 69 -17.779 8.417 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.992 7.353 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.336 9.717 -5.023 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.713 10.378 -5.936 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.999 9.407 -4.472 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.115 9.762 -7.778 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.497 10.647 -8.885 1.00 0.00 C ATOM 1068 C PRO A 70 -20.353 11.557 -9.321 1.00 0.00 C ATOM 1069 O PRO A 70 -20.414 12.185 -10.377 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.649 11.481 -8.308 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.122 10.725 -7.114 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.915 10.019 -6.570 1.00 0.00 C ATOM 0 HA PRO A 70 -21.771 10.081 -9.775 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.312 12.480 -8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.449 11.605 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.550 11.397 -6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.901 10.013 -7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.375 10.636 -5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.183 9.095 -6.059 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.310 11.623 -8.498 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.168 12.460 -8.815 1.00 0.00 C ATOM 1082 C GLY A 71 -17.070 11.704 -9.538 1.00 0.00 C ATOM 1083 O GLY A 71 -16.021 12.268 -9.845 1.00 0.00 O ATOM 0 H GLY A 71 -19.236 11.112 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.496 13.296 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.766 12.883 -7.894 1.00 0.00 H new ATOM 1087 N SER A 72 -17.313 10.423 -9.806 1.00 0.00 N ATOM 1088 CA SER A 72 -16.338 9.581 -10.494 1.00 0.00 C ATOM 1089 C SER A 72 -15.837 10.254 -11.770 1.00 0.00 C ATOM 1090 O SER A 72 -16.522 10.257 -12.793 1.00 0.00 O ATOM 1091 CB SER A 72 -16.953 8.222 -10.830 1.00 0.00 C ATOM 1092 OG SER A 72 -15.977 7.196 -10.785 1.00 0.00 O ATOM 0 H SER A 72 -18.179 9.945 -9.556 1.00 0.00 H new ATOM 0 HA SER A 72 -15.490 9.434 -9.826 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.754 7.998 -10.126 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.402 8.258 -11.823 1.00 0.00 H new ATOM 0 HG SER A 72 -16.045 6.717 -9.933 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.639 10.824 -11.696 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.042 11.505 -12.839 1.00 0.00 C ATOM 1100 C ARG A 73 -13.632 10.510 -13.921 1.00 0.00 C ATOM 1101 O ARG A 73 -13.795 10.777 -15.111 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.827 12.321 -12.394 1.00 0.00 C ATOM 1103 CG ARG A 73 -13.179 13.504 -11.508 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.729 14.818 -12.128 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.167 15.728 -11.133 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.759 16.855 -10.746 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -13.926 17.209 -11.269 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -12.183 17.628 -9.835 1.00 0.00 N ATOM 0 H ARG A 73 -14.062 10.828 -10.855 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.791 12.176 -13.258 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.138 11.668 -11.857 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.300 12.683 -13.277 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.256 13.528 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.710 13.381 -10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.985 14.619 -12.899 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.576 15.296 -12.619 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.270 15.486 -10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.372 16.617 -11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.377 18.074 -10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.286 17.359 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.637 18.492 -9.538 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.085 9.371 -13.496 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.634 8.336 -14.426 1.00 0.00 C ATOM 1124 C ASN A 74 -11.405 8.824 -15.179 1.00 0.00 C ATOM 1125 O ASN A 74 -11.234 8.556 -16.367 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.747 7.964 -15.410 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.649 6.525 -15.876 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.135 5.662 -15.164 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.144 6.257 -17.078 1.00 0.00 N ATOM 0 H ASN A 74 -12.943 9.142 -12.512 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.376 7.444 -13.856 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.716 8.125 -14.936 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.701 8.627 -16.274 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.107 5.306 -17.444 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.561 7.002 -17.635 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.542 9.526 -14.454 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.307 10.049 -14.995 1.00 0.00 C ATOM 1138 C LEU A 75 -8.446 8.942 -15.533 1.00 0.00 C ATOM 1139 O LEU A 75 -7.868 9.016 -16.617 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.558 10.711 -13.863 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.780 12.217 -13.724 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.180 12.736 -12.427 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.197 12.958 -14.919 1.00 0.00 C ATOM 0 H LEU A 75 -10.686 9.746 -13.469 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.534 10.745 -15.802 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.847 10.230 -12.928 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.492 10.529 -13.999 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.854 12.400 -13.697 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.351 13.810 -12.351 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.650 12.233 -11.582 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.108 12.538 -12.417 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.365 14.028 -14.801 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.126 12.764 -14.981 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.681 12.613 -15.833 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.380 7.927 -14.722 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.613 6.752 -14.998 1.00 0.00 C ATOM 1157 C CYS A 76 -8.355 5.861 -15.984 1.00 0.00 C ATOM 1158 O CYS A 76 -7.743 5.122 -16.757 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.396 6.051 -13.679 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.714 5.412 -13.417 1.00 0.00 S ATOM 0 H CYS A 76 -8.871 7.895 -13.829 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.655 7.000 -15.454 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.635 6.744 -12.872 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.099 5.222 -13.605 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.683 5.941 -15.939 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.529 5.143 -16.816 1.00 0.00 C ATOM 1167 C ASN A 77 -10.132 3.681 -16.708 1.00 0.00 C ATOM 1168 O ASN A 77 -9.806 3.034 -17.703 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.405 5.622 -18.264 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.751 5.728 -18.955 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.378 4.717 -19.275 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.202 6.954 -19.190 1.00 0.00 N ATOM 0 H ASN A 77 -10.195 6.552 -15.303 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.568 5.258 -16.509 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.913 6.595 -18.281 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.768 4.933 -18.819 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.101 7.087 -19.653 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.649 7.764 -18.908 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.141 3.177 -15.481 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.760 1.801 -15.226 1.00 0.00 C ATOM 1181 C ILE A 78 -10.837 1.049 -14.453 1.00 0.00 C ATOM 1182 O ILE A 78 -11.630 1.653 -13.734 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.433 1.727 -14.438 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.696 1.465 -12.943 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.650 3.010 -14.641 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.750 2.185 -12.006 1.00 0.00 C ATOM 0 H ILE A 78 -10.408 3.703 -14.649 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.632 1.329 -16.200 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.841 0.893 -14.815 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.718 1.764 -12.709 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.627 0.393 -12.757 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.714 2.957 -14.085 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.435 3.141 -15.702 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.238 3.855 -14.283 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.007 1.944 -10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.727 1.869 -12.209 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.835 3.261 -12.159 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.859 -0.290 -14.560 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.813 -1.112 -13.833 1.00 0.00 C ATOM 1200 C PRO A 79 -11.366 -1.246 -12.384 1.00 0.00 C ATOM 1201 O PRO A 79 -10.370 -1.909 -12.094 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.764 -2.470 -14.552 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.790 -2.311 -15.681 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.947 -1.110 -15.358 1.00 0.00 C ATOM 0 HA PRO A 79 -12.820 -0.695 -13.817 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.445 -3.259 -13.871 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.750 -2.749 -14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.171 -3.202 -15.786 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.313 -2.173 -16.627 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.051 -1.381 -14.800 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.617 -0.592 -16.258 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.084 -0.593 -11.479 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.734 -0.620 -10.067 1.00 0.00 C ATOM 1214 C CYS A 80 -11.714 -2.046 -9.518 1.00 0.00 C ATOM 1215 O CYS A 80 -10.699 -2.498 -8.992 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.706 0.259 -9.274 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.307 1.714 -10.200 1.00 0.00 S ATOM 0 H CYS A 80 -12.912 -0.039 -11.699 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.725 -0.221 -9.958 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.561 -0.344 -8.969 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.214 0.598 -8.362 1.00 0.00 H new ATOM 1222 N SER A 81 -12.837 -2.749 -9.627 1.00 0.00 N ATOM 1223 CA SER A 81 -12.935 -4.120 -9.126 1.00 0.00 C ATOM 1224 C SER A 81 -11.867 -5.033 -9.735 1.00 0.00 C ATOM 1225 O SER A 81 -11.522 -6.061 -9.152 1.00 0.00 O ATOM 1226 CB SER A 81 -14.326 -4.687 -9.414 1.00 0.00 C ATOM 1227 OG SER A 81 -14.863 -4.139 -10.607 1.00 0.00 O ATOM 0 H SER A 81 -13.692 -2.395 -10.057 1.00 0.00 H new ATOM 0 HA SER A 81 -12.767 -4.085 -8.050 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.269 -5.772 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.991 -4.469 -8.578 1.00 0.00 H new ATOM 0 HG SER A 81 -15.752 -4.518 -10.770 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.352 -4.665 -10.906 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.330 -5.469 -11.578 1.00 0.00 C ATOM 1235 C ALA A 82 -8.988 -5.382 -10.855 1.00 0.00 C ATOM 1236 O ALA A 82 -8.061 -6.135 -11.151 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.178 -5.034 -13.026 1.00 0.00 C ATOM 0 H ALA A 82 -11.623 -3.820 -11.408 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.657 -6.509 -11.554 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.414 -5.642 -13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.127 -5.162 -13.546 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.883 -3.985 -13.062 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.898 -4.460 -9.906 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.676 -4.273 -9.134 1.00 0.00 C ATOM 1245 C LEU A 83 -7.811 -4.908 -7.757 1.00 0.00 C ATOM 1246 O LEU A 83 -6.839 -5.000 -7.005 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.344 -2.781 -9.000 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.978 -2.068 -7.804 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.979 -1.940 -6.665 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.493 -0.698 -8.216 1.00 0.00 C ATOM 0 H LEU A 83 -9.658 -3.829 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.860 -4.763 -9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.261 -2.673 -8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.659 -2.274 -9.912 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.821 -2.665 -7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.449 -1.430 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.655 -2.933 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.116 -1.365 -7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.941 -0.203 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.665 -0.096 -8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.242 -0.811 -8.999 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.025 -5.332 -7.428 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.301 -5.944 -6.137 1.00 0.00 C ATOM 1264 C LEU A 84 -9.606 -7.431 -6.285 1.00 0.00 C ATOM 1265 O LEU A 84 -10.485 -7.967 -5.609 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.473 -5.221 -5.476 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.585 -3.745 -5.850 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.034 -3.291 -5.826 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.737 -2.894 -4.917 1.00 0.00 C ATOM 0 H LEU A 84 -9.837 -5.262 -8.042 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.415 -5.852 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.399 -5.726 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.374 -5.304 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.209 -3.619 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.089 -2.236 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.611 -3.879 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.443 -3.432 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.828 -1.845 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.080 -3.026 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.694 -3.200 -4.993 1.00 0.00 H new ATOM 1281 N SER A 85 -8.861 -8.093 -7.163 1.00 0.00 N ATOM 1282 CA SER A 85 -9.038 -9.525 -7.390 1.00 0.00 C ATOM 1283 C SER A 85 -7.726 -10.262 -7.191 1.00 0.00 C ATOM 1284 O SER A 85 -7.412 -11.223 -7.895 1.00 0.00 O ATOM 1285 CB SER A 85 -9.599 -9.791 -8.788 1.00 0.00 C ATOM 1286 OG SER A 85 -10.696 -10.687 -8.736 1.00 0.00 O ATOM 0 H SER A 85 -8.129 -7.663 -7.729 1.00 0.00 H new ATOM 0 HA SER A 85 -9.757 -9.898 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.914 -8.851 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.817 -10.205 -9.424 1.00 0.00 H new ATOM 0 HG SER A 85 -11.037 -10.839 -9.642 1.00 0.00 H new ATOM 1292 N SER A 86 -6.967 -9.768 -6.231 1.00 0.00 N ATOM 1293 CA SER A 86 -5.657 -10.318 -5.893 1.00 0.00 C ATOM 1294 C SER A 86 -4.707 -10.008 -7.024 1.00 0.00 C ATOM 1295 O SER A 86 -3.692 -10.675 -7.225 1.00 0.00 O ATOM 1296 CB SER A 86 -5.737 -11.828 -5.653 1.00 0.00 C ATOM 1297 OG SER A 86 -6.822 -12.155 -4.803 1.00 0.00 O ATOM 0 H SER A 86 -7.239 -8.969 -5.657 1.00 0.00 H new ATOM 0 HA SER A 86 -5.298 -9.865 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.850 -12.345 -6.606 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.805 -12.178 -5.209 1.00 0.00 H new ATOM 0 HG SER A 86 -6.851 -13.125 -4.668 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.094 -8.997 -7.782 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.356 -8.561 -8.944 1.00 0.00 C ATOM 1305 C ASP A 87 -4.008 -7.082 -8.848 1.00 0.00 C ATOM 1306 O ASP A 87 -4.899 -6.233 -8.804 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.235 -8.810 -10.157 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.475 -8.731 -11.466 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.371 -9.311 -11.548 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.983 -8.090 -12.409 1.00 0.00 O ATOM 0 H ASP A 87 -5.938 -8.453 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.418 -9.111 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.695 -9.794 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.044 -8.080 -10.168 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.717 -6.769 -8.819 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.285 -5.382 -8.734 1.00 0.00 C ATOM 1317 C ILE A 88 -2.184 -4.756 -10.115 1.00 0.00 C ATOM 1318 O ILE A 88 -1.925 -3.565 -10.237 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.924 -5.231 -8.026 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.057 -6.472 -8.244 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.129 -4.968 -6.544 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.424 -6.165 -8.323 1.00 0.00 C ATOM 0 H ILE A 88 -1.959 -7.451 -8.853 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.043 -4.867 -8.144 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.402 -4.378 -8.459 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.232 -7.176 -7.430 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.368 -6.966 -9.165 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.160 -4.863 -6.056 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.702 -4.050 -6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.672 -5.801 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.980 -7.090 -8.478 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.611 -5.485 -9.154 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.749 -5.698 -7.393 1.00 0.00 H new ATOM 1334 N THR A 89 -2.373 -5.563 -11.153 1.00 0.00 N ATOM 1335 CA THR A 89 -2.292 -5.072 -12.524 1.00 0.00 C ATOM 1336 C THR A 89 -3.091 -3.786 -12.702 1.00 0.00 C ATOM 1337 O THR A 89 -2.553 -2.769 -13.133 1.00 0.00 O ATOM 1338 CB THR A 89 -2.801 -6.123 -13.529 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.269 -7.412 -13.202 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.401 -5.750 -14.949 1.00 0.00 C ATOM 0 H THR A 89 -2.583 -6.558 -11.072 1.00 0.00 H new ATOM 0 HA THR A 89 -1.239 -4.869 -12.722 1.00 0.00 H new ATOM 0 HB THR A 89 -3.889 -6.154 -13.470 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.599 -8.075 -13.845 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.771 -6.506 -15.642 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.831 -4.782 -15.206 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.315 -5.695 -15.018 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.380 -3.841 -12.379 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.249 -2.688 -12.513 1.00 0.00 C ATOM 1350 C ALA A 90 -4.824 -1.545 -11.590 1.00 0.00 C ATOM 1351 O ALA A 90 -4.760 -0.388 -12.008 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.693 -3.082 -12.244 1.00 0.00 C ATOM 0 H ALA A 90 -4.842 -4.677 -12.022 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.164 -2.328 -13.538 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.334 -2.207 -12.348 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.001 -3.845 -12.959 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.780 -3.477 -11.232 1.00 0.00 H new ATOM 1358 N SER A 91 -4.527 -1.879 -10.335 1.00 0.00 N ATOM 1359 CA SER A 91 -4.101 -0.882 -9.355 1.00 0.00 C ATOM 1360 C SER A 91 -2.809 -0.208 -9.785 1.00 0.00 C ATOM 1361 O SER A 91 -2.608 0.988 -9.560 1.00 0.00 O ATOM 1362 CB SER A 91 -3.909 -1.540 -7.987 1.00 0.00 C ATOM 1363 OG SER A 91 -4.120 -2.939 -8.059 1.00 0.00 O ATOM 0 H SER A 91 -4.574 -2.832 -9.973 1.00 0.00 H new ATOM 0 HA SER A 91 -4.879 -0.122 -9.287 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.902 -1.340 -7.622 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.602 -1.101 -7.269 1.00 0.00 H new ATOM 0 HG SER A 91 -4.132 -3.315 -7.154 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.938 -0.981 -10.408 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.673 -0.445 -10.864 1.00 0.00 C ATOM 1371 C VAL A 92 -0.867 0.406 -12.096 1.00 0.00 C ATOM 1372 O VAL A 92 -0.375 1.516 -12.151 1.00 0.00 O ATOM 1373 CB VAL A 92 0.379 -1.526 -11.169 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.576 -0.897 -11.881 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.815 -2.226 -9.890 1.00 0.00 C ATOM 0 H VAL A 92 -2.083 -1.971 -10.607 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.296 0.157 -10.037 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.063 -2.275 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.318 -1.667 -12.095 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.246 -0.442 -12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.019 -0.133 -11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.559 -2.987 -10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.247 -1.496 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.049 -2.697 -9.420 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.587 -0.111 -13.081 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.829 0.627 -14.292 1.00 0.00 C ATOM 1387 C ASN A 93 -2.209 2.062 -13.968 1.00 0.00 C ATOM 1388 O ASN A 93 -1.740 3.009 -14.604 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.909 -0.057 -15.109 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.080 0.851 -15.436 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -5.187 0.665 -14.727 1.00 0.00 O flip ATOM 1392 ND2 ASN A 93 -3.990 1.707 -16.316 1.00 0.00 N flip ATOM 0 H ASN A 93 -2.010 -1.039 -13.057 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.916 0.649 -14.886 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.474 -0.426 -16.038 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.274 -0.926 -14.561 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.119 1.814 -16.836 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.786 2.309 -16.525 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.045 2.212 -12.951 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.477 3.525 -12.519 1.00 0.00 C ATOM 1401 C CYS A 94 -2.302 4.325 -11.978 1.00 0.00 C ATOM 1402 O CYS A 94 -2.104 5.478 -12.359 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.568 3.416 -11.457 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.737 4.809 -11.477 1.00 0.00 S ATOM 0 H CYS A 94 -3.435 1.439 -12.412 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.887 4.045 -13.385 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.119 2.487 -11.606 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.102 3.356 -10.473 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.519 3.715 -11.086 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.371 4.408 -10.510 1.00 0.00 C ATOM 1411 C ALA A 95 0.713 4.620 -11.552 1.00 0.00 C ATOM 1412 O ALA A 95 1.342 5.668 -11.587 1.00 0.00 O ATOM 1413 CB ALA A 95 0.179 3.675 -9.312 1.00 0.00 C ATOM 0 H ALA A 95 -1.656 2.761 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.718 5.384 -10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.032 4.222 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.594 3.597 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.496 2.676 -9.611 1.00 0.00 H new ATOM 1419 N LYS A 96 0.910 3.632 -12.420 1.00 0.00 N ATOM 1420 CA LYS A 96 1.893 3.751 -13.480 1.00 0.00 C ATOM 1421 C LYS A 96 1.636 5.075 -14.184 1.00 0.00 C ATOM 1422 O LYS A 96 2.551 5.797 -14.583 1.00 0.00 O ATOM 1423 CB LYS A 96 1.763 2.590 -14.470 1.00 0.00 C ATOM 1424 CG LYS A 96 3.006 2.368 -15.315 1.00 0.00 C ATOM 1425 CD LYS A 96 2.657 1.805 -16.683 1.00 0.00 C ATOM 1426 CE LYS A 96 2.529 2.908 -17.722 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.318 2.607 -18.949 1.00 0.00 N ATOM 0 H LYS A 96 0.403 2.747 -12.407 1.00 0.00 H new ATOM 0 HA LYS A 96 2.902 3.718 -13.070 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.541 1.676 -13.918 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.915 2.779 -15.129 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.539 3.311 -15.434 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.680 1.683 -14.800 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.426 1.098 -16.994 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.720 1.251 -16.622 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.480 3.037 -17.987 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.868 3.851 -17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.782 2.907 -19.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.223 3.119 -18.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.501 1.585 -19.002 1.00 0.00 H new ATOM 1441 N LYS A 97 0.346 5.389 -14.262 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.121 6.632 -14.849 1.00 0.00 C ATOM 1443 C LYS A 97 0.005 7.758 -13.830 1.00 0.00 C ATOM 1444 O LYS A 97 0.286 8.904 -14.185 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.572 6.498 -15.315 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.986 7.553 -16.328 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.470 7.467 -16.646 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.708 6.978 -18.065 1.00 0.00 C ATOM 1449 NZ LYS A 97 -4.255 5.592 -18.091 1.00 0.00 N ATOM 0 H LYS A 97 -0.402 4.786 -13.919 1.00 0.00 H new ATOM 0 HA LYS A 97 0.494 6.864 -15.718 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.714 5.510 -15.753 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.230 6.560 -14.448 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.753 8.544 -15.939 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.409 7.426 -17.244 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.956 6.792 -15.941 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.928 8.447 -16.516 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.401 7.651 -18.569 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.771 7.009 -18.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.403 5.296 -19.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.583 4.945 -17.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.162 5.567 -17.582 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.187 7.417 -12.554 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.077 8.395 -11.481 1.00 0.00 C ATOM 1465 C ILE A 98 1.334 8.979 -11.441 1.00 0.00 C ATOM 1466 O ILE A 98 1.518 10.196 -11.415 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.427 7.792 -10.105 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.913 7.422 -10.054 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.091 8.778 -8.993 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.309 6.667 -8.803 1.00 0.00 C ATOM 0 H ILE A 98 -0.418 6.473 -12.244 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.798 9.185 -11.691 1.00 0.00 H new ATOM 0 HB ILE A 98 0.165 6.889 -9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.508 8.333 -10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.158 6.816 -10.926 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.344 8.338 -8.028 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.974 9.007 -9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.663 9.695 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.374 6.439 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.741 5.738 -8.743 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.097 7.279 -7.926 1.00 0.00 H new ATOM 1482 N VAL A 99 2.321 8.091 -11.434 1.00 0.00 N ATOM 1483 CA VAL A 99 3.720 8.486 -11.395 1.00 0.00 C ATOM 1484 C VAL A 99 4.187 9.025 -12.744 1.00 0.00 C ATOM 1485 O VAL A 99 5.144 9.797 -12.812 1.00 0.00 O ATOM 1486 CB VAL A 99 4.623 7.318 -10.960 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.937 6.400 -12.133 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.899 7.843 -10.323 1.00 0.00 C ATOM 0 H VAL A 99 2.173 7.082 -11.455 1.00 0.00 H new ATOM 0 HA VAL A 99 3.802 9.283 -10.656 1.00 0.00 H new ATOM 0 HB VAL A 99 4.085 6.730 -10.217 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.576 5.584 -11.796 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.009 5.992 -12.534 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.450 6.966 -12.910 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.527 7.005 -10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.438 8.459 -11.043 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.649 8.443 -9.448 1.00 0.00 H new ATOM 1498 N SER A 100 3.497 8.635 -13.815 1.00 0.00 N ATOM 1499 CA SER A 100 3.843 9.110 -15.150 1.00 0.00 C ATOM 1500 C SER A 100 3.177 10.455 -15.418 1.00 0.00 C ATOM 1501 O SER A 100 3.459 11.117 -16.416 1.00 0.00 O ATOM 1502 CB SER A 100 3.416 8.093 -16.210 1.00 0.00 C ATOM 1503 OG SER A 100 3.849 8.489 -17.500 1.00 0.00 O ATOM 0 H SER A 100 2.702 7.997 -13.784 1.00 0.00 H new ATOM 0 HA SER A 100 4.925 9.233 -15.203 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.831 7.115 -15.968 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.331 7.989 -16.203 1.00 0.00 H new ATOM 0 HG SER A 100 3.965 9.462 -17.522 1.00 0.00 H new ATOM 1509 N ASP A 101 2.286 10.848 -14.510 1.00 0.00 N ATOM 1510 CA ASP A 101 1.568 12.113 -14.632 1.00 0.00 C ATOM 1511 C ASP A 101 2.254 13.214 -13.828 1.00 0.00 C ATOM 1512 O ASP A 101 1.844 14.373 -13.874 1.00 0.00 O ATOM 1513 CB ASP A 101 0.122 11.950 -14.163 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.839 11.733 -15.315 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.817 12.541 -16.267 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.614 10.755 -15.266 1.00 0.00 O ATOM 0 H ASP A 101 2.044 10.306 -13.680 1.00 0.00 H new ATOM 0 HA ASP A 101 1.573 12.402 -15.683 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.059 11.105 -13.477 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.178 12.837 -13.605 1.00 0.00 H new ATOM 1521 N GLY A 102 3.303 12.846 -13.096 1.00 0.00 N ATOM 1522 CA GLY A 102 4.026 13.820 -12.298 1.00 0.00 C ATOM 1523 C GLY A 102 3.911 13.565 -10.807 1.00 0.00 C ATOM 1524 O GLY A 102 4.553 14.244 -10.005 1.00 0.00 O ATOM 0 H GLY A 102 3.664 11.893 -13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.078 13.807 -12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.648 14.818 -12.521 1.00 0.00 H new ATOM 1528 N ASN A 103 3.092 12.586 -10.433 1.00 0.00 N ATOM 1529 CA ASN A 103 2.898 12.249 -9.026 1.00 0.00 C ATOM 1530 C ASN A 103 3.777 11.069 -8.621 1.00 0.00 C ATOM 1531 O ASN A 103 3.422 9.913 -8.849 1.00 0.00 O ATOM 1532 CB ASN A 103 1.428 11.923 -8.756 1.00 0.00 C ATOM 1533 CG ASN A 103 0.489 12.948 -9.359 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.588 14.142 -9.076 1.00 0.00 O ATOM 1535 ND2 ASN A 103 -0.432 12.487 -10.197 1.00 0.00 N ATOM 0 H ASN A 103 2.553 12.013 -11.083 1.00 0.00 H new ATOM 0 HA ASN A 103 3.187 13.114 -8.428 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.196 10.939 -9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.262 11.871 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.092 13.130 -10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.479 11.489 -10.404 1.00 0.00 H new ATOM 1542 N GLY A 104 4.919 11.368 -8.012 1.00 0.00 N ATOM 1543 CA GLY A 104 5.829 10.321 -7.580 1.00 0.00 C ATOM 1544 C GLY A 104 5.324 9.586 -6.355 1.00 0.00 C ATOM 1545 O GLY A 104 4.117 9.431 -6.172 1.00 0.00 O ATOM 0 H GLY A 104 5.232 12.317 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.973 9.610 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.804 10.758 -7.362 1.00 0.00 H new ATOM 1549 N MET A 105 6.249 9.149 -5.504 1.00 0.00 N ATOM 1550 CA MET A 105 5.896 8.444 -4.283 1.00 0.00 C ATOM 1551 C MET A 105 5.386 9.438 -3.258 1.00 0.00 C ATOM 1552 O MET A 105 4.925 9.066 -2.178 1.00 0.00 O ATOM 1553 CB MET A 105 7.113 7.706 -3.724 1.00 0.00 C ATOM 1554 CG MET A 105 8.103 7.261 -4.789 1.00 0.00 C ATOM 1555 SD MET A 105 7.377 6.114 -5.975 1.00 0.00 S ATOM 1556 CE MET A 105 6.371 5.108 -4.890 1.00 0.00 C ATOM 0 H MET A 105 7.252 9.273 -5.642 1.00 0.00 H new ATOM 0 HA MET A 105 5.117 7.715 -4.506 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.625 8.355 -3.014 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.773 6.832 -3.169 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.479 8.136 -5.319 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.959 6.787 -4.309 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.218 4.128 -5.341 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.875 4.991 -3.931 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.406 5.592 -4.736 1.00 0.00 H new ATOM 1566 N ASN A 106 5.488 10.711 -3.613 1.00 0.00 N ATOM 1567 CA ASN A 106 5.060 11.793 -2.748 1.00 0.00 C ATOM 1568 C ASN A 106 3.539 11.888 -2.699 1.00 0.00 C ATOM 1569 O ASN A 106 2.968 12.278 -1.680 1.00 0.00 O ATOM 1570 CB ASN A 106 5.656 13.104 -3.251 1.00 0.00 C ATOM 1571 CG ASN A 106 6.977 12.901 -3.968 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.908 12.309 -3.423 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.064 13.395 -5.198 1.00 0.00 N ATOM 0 H ASN A 106 5.869 11.019 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 106 5.413 11.594 -1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.949 13.586 -3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.803 13.780 -2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.928 13.290 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.267 13.879 -5.611 1.00 0.00 H new ATOM 1580 N ALA A 107 2.888 11.531 -3.805 1.00 0.00 N ATOM 1581 CA ALA A 107 1.432 11.577 -3.881 1.00 0.00 C ATOM 1582 C ALA A 107 0.809 10.829 -2.709 1.00 0.00 C ATOM 1583 O ALA A 107 -0.107 11.327 -2.054 1.00 0.00 O ATOM 1584 CB ALA A 107 0.953 10.990 -5.200 1.00 0.00 C ATOM 0 H ALA A 107 3.346 11.208 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 107 1.117 12.619 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.135 11.031 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.370 11.565 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.280 9.953 -5.277 1.00 0.00 H new ATOM 1590 N TRP A 108 1.319 9.631 -2.452 1.00 0.00 N ATOM 1591 CA TRP A 108 0.824 8.807 -1.360 1.00 0.00 C ATOM 1592 C TRP A 108 1.401 9.291 -0.030 1.00 0.00 C ATOM 1593 O TRP A 108 2.606 9.503 0.100 1.00 0.00 O ATOM 1594 CB TRP A 108 1.167 7.339 -1.617 1.00 0.00 C ATOM 1595 CG TRP A 108 0.599 6.833 -2.914 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.671 6.382 -3.131 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.277 6.740 -4.173 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.823 6.011 -4.446 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.358 6.221 -5.108 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.572 7.043 -4.601 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.695 6.002 -6.445 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.904 6.825 -5.925 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.970 6.310 -6.833 1.00 0.00 C ATOM 0 H TRP A 108 2.077 9.209 -2.988 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.261 8.896 -1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.250 7.219 -1.627 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.787 6.731 -0.796 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.444 6.325 -2.379 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.677 5.639 -4.862 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.301 7.440 -3.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.024 5.604 -7.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.902 7.056 -6.266 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.263 6.153 -7.861 1.00 0.00 H new ATOM 1614 N VAL A 109 0.515 9.502 0.939 1.00 0.00 N ATOM 1615 CA VAL A 109 0.899 10.008 2.256 1.00 0.00 C ATOM 1616 C VAL A 109 1.605 8.976 3.124 1.00 0.00 C ATOM 1617 O VAL A 109 2.367 9.338 4.021 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.312 10.519 3.029 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.034 11.788 3.793 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.505 10.745 2.112 1.00 0.00 C ATOM 0 H VAL A 109 -0.485 9.329 0.836 1.00 0.00 H new ATOM 0 HA VAL A 109 1.597 10.819 2.048 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.594 9.751 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.844 12.136 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.839 11.580 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.355 12.559 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.350 11.109 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.245 11.482 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.776 9.806 1.629 1.00 0.00 H new ATOM 1630 N ALA A 110 1.365 7.700 2.870 1.00 0.00 N ATOM 1631 CA ALA A 110 2.003 6.649 3.655 1.00 0.00 C ATOM 1632 C ALA A 110 3.494 6.592 3.367 1.00 0.00 C ATOM 1633 O ALA A 110 4.284 6.153 4.205 1.00 0.00 O ATOM 1634 CB ALA A 110 1.352 5.304 3.373 1.00 0.00 C ATOM 0 H ALA A 110 0.741 7.366 2.136 1.00 0.00 H new ATOM 0 HA ALA A 110 1.869 6.882 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.841 4.532 3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.295 5.349 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.453 5.066 2.314 1.00 0.00 H new ATOM 1640 N TRP A 111 3.872 7.056 2.186 1.00 0.00 N ATOM 1641 CA TRP A 111 5.272 7.076 1.799 1.00 0.00 C ATOM 1642 C TRP A 111 5.939 8.344 2.322 1.00 0.00 C ATOM 1643 O TRP A 111 7.096 8.319 2.736 1.00 0.00 O ATOM 1644 CB TRP A 111 5.425 6.964 0.279 1.00 0.00 C ATOM 1645 CG TRP A 111 6.851 7.002 -0.187 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.642 5.931 -0.489 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.656 8.169 -0.407 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.889 6.359 -0.880 1.00 0.00 N ATOM 1649 CE2 TRP A 111 8.922 7.728 -0.838 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.429 9.542 -0.281 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 9.954 8.611 -1.144 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.455 10.417 -0.584 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.703 9.949 -1.011 1.00 0.00 C ATOM 0 H TRP A 111 3.231 7.422 1.482 1.00 0.00 H new ATOM 0 HA TRP A 111 5.767 6.212 2.243 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.967 6.033 -0.056 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.875 7.778 -0.194 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.333 4.898 -0.429 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.663 5.755 -1.156 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.469 9.913 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 10.918 8.253 -1.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.291 11.480 -0.490 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.484 10.659 -1.240 1.00 0.00 H new ATOM 1664 N ARG A 112 5.199 9.454 2.326 1.00 0.00 N ATOM 1665 CA ARG A 112 5.720 10.720 2.827 1.00 0.00 C ATOM 1666 C ARG A 112 5.366 10.910 4.298 1.00 0.00 C ATOM 1667 O ARG A 112 4.938 11.989 4.710 1.00 0.00 O ATOM 1668 CB ARG A 112 5.149 11.874 2.019 1.00 0.00 C ATOM 1669 CG ARG A 112 6.144 12.507 1.061 1.00 0.00 C ATOM 1670 CD ARG A 112 5.633 13.834 0.526 1.00 0.00 C ATOM 1671 NE ARG A 112 6.587 14.918 0.746 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.293 16.040 1.396 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.074 16.225 1.889 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.216 16.977 1.556 1.00 0.00 N ATOM 0 H ARG A 112 4.238 9.499 1.987 1.00 0.00 H new ATOM 0 HA ARG A 112 6.805 10.703 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.290 11.517 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.783 12.638 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.095 12.661 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.334 11.827 0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.430 13.741 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.688 14.080 1.010 1.00 0.00 H new ATOM 0 HE ARG A 112 7.533 14.808 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.361 15.506 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.851 17.087 2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.154 16.838 1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.988 17.837 2.055 1.00 0.00 H new ATOM 1688 N ASN A 113 5.549 9.865 5.083 1.00 0.00 N ATOM 1689 CA ASN A 113 5.247 9.928 6.510 1.00 0.00 C ATOM 1690 C ASN A 113 6.055 8.903 7.293 1.00 0.00 C ATOM 1691 O ASN A 113 6.863 9.257 8.153 1.00 0.00 O ATOM 1692 CB ASN A 113 3.754 9.701 6.747 1.00 0.00 C ATOM 1693 CG ASN A 113 3.254 10.401 7.996 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.265 11.630 8.080 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.812 9.621 8.975 1.00 0.00 N ATOM 0 H ASN A 113 5.904 8.964 4.763 1.00 0.00 H new ATOM 0 HA ASN A 113 5.522 10.922 6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.193 10.059 5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.561 8.632 6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.463 10.035 9.839 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.821 8.607 8.863 1.00 0.00 H new ATOM 1702 N ARG A 114 5.825 7.635 6.993 1.00 0.00 N ATOM 1703 CA ARG A 114 6.519 6.551 7.671 1.00 0.00 C ATOM 1704 C ARG A 114 7.650 5.996 6.815 1.00 0.00 C ATOM 1705 O ARG A 114 8.375 5.095 7.238 1.00 0.00 O ATOM 1706 CB ARG A 114 5.534 5.436 8.009 1.00 0.00 C ATOM 1707 CG ARG A 114 4.895 5.579 9.380 1.00 0.00 C ATOM 1708 CD ARG A 114 5.774 4.989 10.470 1.00 0.00 C ATOM 1709 NE ARG A 114 5.253 5.269 11.805 1.00 0.00 N ATOM 1710 CZ ARG A 114 5.735 6.219 12.601 1.00 0.00 C ATOM 1711 NH1 ARG A 114 6.746 6.978 12.197 1.00 0.00 N ATOM 1712 NH2 ARG A 114 5.206 6.411 13.801 1.00 0.00 N ATOM 0 H ARG A 114 5.161 7.330 6.282 1.00 0.00 H new ATOM 0 HA ARG A 114 6.952 6.949 8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.749 5.415 7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.052 4.478 7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.713 6.633 9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.925 5.081 9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.851 3.911 10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.782 5.394 10.382 1.00 0.00 H new ATOM 0 HE ARG A 114 4.475 4.704 12.146 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.155 6.833 11.274 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.114 7.706 12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.429 5.830 14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.576 7.140 14.411 1.00 0.00 H new ATOM 1726 N CYS A 115 7.789 6.525 5.605 1.00 0.00 N ATOM 1727 CA CYS A 115 8.825 6.060 4.693 1.00 0.00 C ATOM 1728 C CYS A 115 9.881 7.129 4.435 1.00 0.00 C ATOM 1729 O CYS A 115 11.079 6.847 4.477 1.00 0.00 O ATOM 1730 CB CYS A 115 8.207 5.624 3.370 1.00 0.00 C ATOM 1731 SG CYS A 115 9.399 4.873 2.222 1.00 0.00 S ATOM 0 H CYS A 115 7.201 7.272 5.235 1.00 0.00 H new ATOM 0 HA CYS A 115 9.316 5.211 5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.408 4.910 3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.749 6.489 2.890 1.00 0.00 H new ATOM 1736 N LYS A 116 9.437 8.349 4.157 1.00 0.00 N ATOM 1737 CA LYS A 116 10.353 9.449 3.879 1.00 0.00 C ATOM 1738 C LYS A 116 11.316 9.669 5.041 1.00 0.00 C ATOM 1739 O LYS A 116 11.000 10.383 5.994 1.00 0.00 O ATOM 1740 CB LYS A 116 9.571 10.734 3.599 1.00 0.00 C ATOM 1741 CG LYS A 116 10.444 11.889 3.139 1.00 0.00 C ATOM 1742 CD LYS A 116 9.875 12.557 1.897 1.00 0.00 C ATOM 1743 CE LYS A 116 10.950 12.796 0.850 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.021 14.226 0.442 1.00 0.00 N ATOM 0 H LYS A 116 8.450 8.602 4.118 1.00 0.00 H new ATOM 0 HA LYS A 116 10.936 9.185 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.818 10.533 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.038 11.030 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.531 12.623 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.450 11.525 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.088 11.932 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.416 13.507 2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.917 12.483 1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.748 12.179 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.766 14.346 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.107 14.519 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.239 14.813 1.272 1.00 0.00 H new ATOM 1758 N GLY A 117 12.493 9.058 4.953 1.00 0.00 N ATOM 1759 CA GLY A 117 13.483 9.207 6.002 1.00 0.00 C ATOM 1760 C GLY A 117 14.127 7.893 6.400 1.00 0.00 C ATOM 1761 O GLY A 117 14.922 7.852 7.340 1.00 0.00 O ATOM 0 H GLY A 117 12.778 8.463 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.257 9.898 5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.012 9.654 6.877 1.00 0.00 H new ATOM 1765 N THR A 118 13.791 6.817 5.692 1.00 0.00 N ATOM 1766 CA THR A 118 14.352 5.504 5.991 1.00 0.00 C ATOM 1767 C THR A 118 15.155 4.972 4.805 1.00 0.00 C ATOM 1768 O THR A 118 15.752 5.745 4.056 1.00 0.00 O ATOM 1769 CB THR A 118 13.246 4.494 6.353 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.354 4.324 5.243 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.463 4.961 7.570 1.00 0.00 C ATOM 0 H THR A 118 13.136 6.829 4.911 1.00 0.00 H new ATOM 0 HA THR A 118 15.015 5.623 6.848 1.00 0.00 H new ATOM 0 HB THR A 118 13.719 3.541 6.589 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.934 5.182 5.026 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.688 4.232 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.138 5.061 8.420 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.001 5.925 7.357 1.00 0.00 H new ATOM 1779 N ASP A 119 15.170 3.650 4.636 1.00 0.00 N ATOM 1780 CA ASP A 119 15.906 3.031 3.541 1.00 0.00 C ATOM 1781 C ASP A 119 15.082 1.953 2.843 1.00 0.00 C ATOM 1782 O ASP A 119 14.847 0.879 3.396 1.00 0.00 O ATOM 1783 CB ASP A 119 17.201 2.441 4.044 1.00 0.00 C ATOM 1784 CG ASP A 119 18.295 2.454 2.994 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.325 1.528 2.156 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.121 3.390 3.009 1.00 0.00 O ATOM 0 H ASP A 119 14.682 2.991 5.243 1.00 0.00 H new ATOM 0 HA ASP A 119 16.123 3.812 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.535 3.000 4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.027 1.415 4.369 1.00 0.00 H new ATOM 1791 N VAL A 120 14.652 2.251 1.621 1.00 0.00 N ATOM 1792 CA VAL A 120 13.859 1.318 0.832 1.00 0.00 C ATOM 1793 C VAL A 120 14.743 0.227 0.246 1.00 0.00 C ATOM 1794 O VAL A 120 14.305 -0.908 0.061 1.00 0.00 O ATOM 1795 CB VAL A 120 13.116 2.039 -0.310 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.150 3.070 0.249 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.105 2.690 -1.267 1.00 0.00 C ATOM 0 H VAL A 120 14.842 3.138 1.154 1.00 0.00 H new ATOM 0 HA VAL A 120 13.123 0.871 1.500 1.00 0.00 H new ATOM 0 HB VAL A 120 12.541 1.299 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.635 3.569 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.419 2.575 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.702 3.807 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.561 3.194 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.710 3.417 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.753 1.926 -1.696 1.00 0.00 H new ATOM 1807 N GLN A 121 15.997 0.576 -0.033 1.00 0.00 N ATOM 1808 CA GLN A 121 16.946 -0.382 -0.580 1.00 0.00 C ATOM 1809 C GLN A 121 17.096 -1.552 0.380 1.00 0.00 C ATOM 1810 O GLN A 121 17.439 -2.664 -0.019 1.00 0.00 O ATOM 1811 CB GLN A 121 18.304 0.284 -0.819 1.00 0.00 C ATOM 1812 CG GLN A 121 19.226 -0.523 -1.716 1.00 0.00 C ATOM 1813 CD GLN A 121 19.385 0.092 -3.093 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.483 0.483 -3.489 1.00 0.00 O ATOM 1815 NE2 GLN A 121 18.284 0.180 -3.832 1.00 0.00 N ATOM 0 H GLN A 121 16.375 1.512 0.111 1.00 0.00 H new ATOM 0 HA GLN A 121 16.571 -0.746 -1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.145 1.266 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.794 0.446 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 121 20.205 -0.606 -1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.834 -1.535 -1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 121 17.394 -0.157 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 121 18.329 0.584 -4.767 1.00 0.00 H new ATOM 1824 N ALA A 122 16.818 -1.283 1.652 1.00 0.00 N ATOM 1825 CA ALA A 122 16.897 -2.299 2.688 1.00 0.00 C ATOM 1826 C ALA A 122 15.556 -3.006 2.842 1.00 0.00 C ATOM 1827 O ALA A 122 15.489 -4.120 3.362 1.00 0.00 O ATOM 1828 CB ALA A 122 17.327 -1.677 4.009 1.00 0.00 C ATOM 0 H ALA A 122 16.535 -0.363 1.988 1.00 0.00 H new ATOM 0 HA ALA A 122 17.644 -3.037 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.381 -2.451 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.306 -1.213 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.601 -0.921 4.308 1.00 0.00 H new ATOM 1834 N TRP A 123 14.490 -2.355 2.378 1.00 0.00 N ATOM 1835 CA TRP A 123 13.151 -2.936 2.459 1.00 0.00 C ATOM 1836 C TRP A 123 13.056 -4.200 1.611 1.00 0.00 C ATOM 1837 O TRP A 123 12.153 -5.017 1.796 1.00 0.00 O ATOM 1838 CB TRP A 123 12.095 -1.926 2.004 1.00 0.00 C ATOM 1839 CG TRP A 123 11.554 -1.078 3.116 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.324 0.265 3.078 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.171 -1.511 4.429 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.825 0.692 4.285 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.724 -0.385 5.127 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.161 -2.742 5.084 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.278 -0.458 6.438 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.718 -2.813 6.386 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.280 -1.675 7.052 1.00 0.00 C ATOM 0 H TRP A 123 14.527 -1.432 1.945 1.00 0.00 H new ATOM 0 HA TRP A 123 12.963 -3.198 3.500 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.529 -1.278 1.243 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.271 -2.462 1.534 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.507 0.900 2.224 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.571 1.652 4.516 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.498 -3.633 4.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.938 0.425 6.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.711 -3.765 6.896 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.936 -1.756 8.072 1.00 0.00 H new ATOM 1858 N ILE A 124 13.995 -4.356 0.683 1.00 0.00 N ATOM 1859 CA ILE A 124 14.020 -5.522 -0.191 1.00 0.00 C ATOM 1860 C ILE A 124 15.377 -6.216 -0.133 1.00 0.00 C ATOM 1861 O ILE A 124 15.680 -7.081 -0.954 1.00 0.00 O ATOM 1862 CB ILE A 124 13.712 -5.140 -1.651 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.582 -3.961 -2.090 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.237 -4.808 -1.812 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.941 -3.989 -3.559 1.00 0.00 C ATOM 0 H ILE A 124 14.749 -3.689 0.517 1.00 0.00 H new ATOM 0 HA ILE A 124 13.247 -6.203 0.165 1.00 0.00 H new ATOM 0 HB ILE A 124 13.944 -5.993 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.057 -3.031 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.499 -3.957 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.035 -4.540 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.637 -5.676 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.980 -3.970 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.559 -3.124 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.494 -4.902 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.030 -3.962 -4.157 1.00 0.00 H new ATOM 1877 N ARG A 125 16.188 -5.827 0.845 1.00 0.00 N ATOM 1878 CA ARG A 125 17.515 -6.407 1.019 1.00 0.00 C ATOM 1879 C ARG A 125 17.420 -7.882 1.396 1.00 0.00 C ATOM 1880 O ARG A 125 17.310 -8.226 2.574 1.00 0.00 O ATOM 1881 CB ARG A 125 18.292 -5.642 2.091 1.00 0.00 C ATOM 1882 CG ARG A 125 19.798 -5.821 1.995 1.00 0.00 C ATOM 1883 CD ARG A 125 20.530 -4.919 2.976 1.00 0.00 C ATOM 1884 NE ARG A 125 21.617 -4.184 2.337 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.182 -3.098 2.859 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.762 -2.624 4.025 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.166 -2.486 2.215 1.00 0.00 N ATOM 0 H ARG A 125 15.949 -5.111 1.531 1.00 0.00 H new ATOM 0 HA ARG A 125 18.046 -6.328 0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.055 -4.581 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.957 -5.971 3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.055 -6.861 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.128 -5.600 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.825 -4.214 3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.930 -5.520 3.792 1.00 0.00 H new ATOM 0 HE ARG A 125 21.963 -4.522 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.005 -3.092 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.196 -1.792 4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.491 -2.847 1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.598 -1.654 2.616 1.00 0.00 H new ATOM 1901 N GLY A 126 17.465 -8.750 0.389 1.00 0.00 N ATOM 1902 CA GLY A 126 17.385 -10.178 0.636 1.00 0.00 C ATOM 1903 C GLY A 126 16.198 -10.823 -0.055 1.00 0.00 C ATOM 1904 O GLY A 126 16.003 -12.035 0.036 1.00 0.00 O ATOM 0 H GLY A 126 17.555 -8.489 -0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.303 -10.654 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.316 -10.354 1.709 1.00 0.00 H new ATOM 1908 N CYS A 127 15.404 -10.010 -0.745 1.00 0.00 N ATOM 1909 CA CYS A 127 14.229 -10.503 -1.452 1.00 0.00 C ATOM 1910 C CYS A 127 14.616 -11.446 -2.586 1.00 0.00 C ATOM 1911 O CYS A 127 15.786 -11.793 -2.748 1.00 0.00 O ATOM 1912 CB CYS A 127 13.423 -9.339 -1.990 1.00 0.00 C ATOM 1913 SG CYS A 127 12.140 -8.728 -0.851 1.00 0.00 S ATOM 0 H CYS A 127 15.554 -9.005 -0.829 1.00 0.00 H new ATOM 0 HA CYS A 127 13.620 -11.066 -0.744 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.102 -8.520 -2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.950 -9.641 -2.924 1.00 0.00 H new ATOM 1918 N ARG A 128 13.624 -11.857 -3.369 1.00 0.00 N ATOM 1919 CA ARG A 128 13.858 -12.760 -4.490 1.00 0.00 C ATOM 1920 C ARG A 128 12.975 -12.393 -5.678 1.00 0.00 C ATOM 1921 O ARG A 128 11.847 -12.872 -5.798 1.00 0.00 O ATOM 1922 CB ARG A 128 13.593 -14.207 -4.069 1.00 0.00 C ATOM 1923 CG ARG A 128 14.859 -15.012 -3.831 1.00 0.00 C ATOM 1924 CD ARG A 128 15.057 -16.069 -4.906 1.00 0.00 C ATOM 1925 NE ARG A 128 14.133 -17.189 -4.749 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.589 -17.846 -5.770 1.00 0.00 C ATOM 1927 NH1 ARG A 128 13.877 -17.496 -7.016 1.00 0.00 N ATOM 1928 NH2 ARG A 128 12.759 -18.855 -5.543 1.00 0.00 N ATOM 0 H ARG A 128 12.650 -11.579 -3.248 1.00 0.00 H new ATOM 0 HA ARG A 128 14.901 -12.662 -4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.995 -14.208 -3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.000 -14.698 -4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.719 -14.343 -3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.809 -15.491 -2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.916 -15.618 -5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 128 16.082 -16.437 -4.868 1.00 0.00 H new ATOM 0 HE ARG A 128 13.891 -17.484 -3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.517 -16.722 -7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.459 -18.001 -7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.537 -19.128 -4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.342 -19.358 -6.326 1.00 0.00 H new ATOM 1942 N LEU A 129 13.497 -11.541 -6.554 1.00 0.00 N ATOM 1943 CA LEU A 129 12.757 -11.109 -7.734 1.00 0.00 C ATOM 1944 C LEU A 129 13.665 -11.063 -8.960 1.00 0.00 C ATOM 1945 O LEU A 129 13.133 -11.024 -10.089 1.00 0.00 O ATOM 1946 CB LEU A 129 12.133 -9.732 -7.496 1.00 0.00 C ATOM 1947 CG LEU A 129 13.091 -8.672 -6.952 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.306 -7.570 -7.977 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.561 -8.095 -5.648 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.901 -11.066 -8.779 1.00 0.00 O ATOM 0 H LEU A 129 14.429 -11.136 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 129 11.963 -11.833 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.714 -9.373 -8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.303 -9.842 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 129 14.052 -9.146 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.991 -6.825 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.730 -7.996 -8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.351 -7.098 -8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.255 -7.342 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.588 -7.637 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.460 -8.892 -4.912 1.00 0.00 H new TER 1962 LEU A 129