USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1000 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 7 LYS NZ :NH3+ -137:sc= -4.45! (180deg=-0.391) USER MOD Set 1.2: A 32 ASN : amide:sc= -3.13! C(o=-7.6!,f=-16!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -4:sc= 0.969 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00374) USER MOD Single : A 31 ASN : amide:sc= -2.18! C(o=-2.2!,f=-5.6!) USER MOD Single : A 44 ASN : amide:sc= 0.181 K(o=0.18,f=-0.47) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -0.787 (180deg=-1.26) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 108:sc= 1.22 USER MOD Single : A 56 SER OG : rot 68:sc= 0.609 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.884! C(o=-2!,f=-0.88!) USER MOD Single : A 60 MET CE :methyl -150:sc= 0 (180deg=-0.00387) USER MOD Single : A 62 ASN : amide:sc= -3.23! C(o=-3.2!,f=-2.8!) USER MOD Single : A 63 MET CE :methyl -142:sc= 0 (180deg=-0.0195) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.412) USER MOD Single : A 71 THR OG1 : rot 104:sc= 0.846 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 178:sc= -0.0108 (180deg=-0.0164) USER MOD Single : A 87 THR OG1 : rot 52:sc= -0.149! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.184 K(o=-0.18,f=-3.2!) USER MOD Single : A 100 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.04) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.981 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 55:sc= -0.144! USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= 0.803 (180deg=0.513) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -171:sc= -1.19 (180deg=-1.32) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.525 0.374 8.037 1.00 0.00 N ATOM 2 CA ALA A 2 -13.342 0.875 8.790 1.00 0.00 C ATOM 3 C ALA A 2 -13.000 2.288 8.315 1.00 0.00 C ATOM 4 O ALA A 2 -12.199 2.474 7.422 1.00 0.00 O ATOM 5 CB ALA A 2 -12.148 -0.051 8.543 1.00 0.00 C ATOM 0 HA ALA A 2 -13.570 0.894 9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.282 0.316 9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.393 -1.058 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.918 -0.071 7.478 1.00 0.00 H new ATOM 11 N ASP A 3 -13.606 3.286 8.906 1.00 0.00 N ATOM 12 CA ASP A 3 -13.329 4.696 8.493 1.00 0.00 C ATOM 13 C ASP A 3 -13.683 4.872 7.013 1.00 0.00 C ATOM 14 O ASP A 3 -13.175 4.182 6.156 1.00 0.00 O ATOM 15 CB ASP A 3 -11.848 5.030 8.708 1.00 0.00 C ATOM 16 CG ASP A 3 -11.708 5.968 9.908 1.00 0.00 C ATOM 17 OD1 ASP A 3 -11.635 5.470 11.020 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.674 7.169 9.696 1.00 0.00 O ATOM 0 H ASP A 3 -14.284 3.185 9.661 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.935 5.369 9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.279 4.116 8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.436 5.500 7.815 1.00 0.00 H new ATOM 23 N LYS A 4 -14.556 5.787 6.704 1.00 0.00 N ATOM 24 CA LYS A 4 -14.935 5.994 5.278 1.00 0.00 C ATOM 25 C LYS A 4 -14.003 7.027 4.642 1.00 0.00 C ATOM 26 O LYS A 4 -14.263 7.522 3.564 1.00 0.00 O ATOM 27 CB LYS A 4 -16.376 6.506 5.199 1.00 0.00 C ATOM 28 CG LYS A 4 -17.352 5.424 5.684 1.00 0.00 C ATOM 29 CD LYS A 4 -18.527 5.312 4.707 1.00 0.00 C ATOM 30 CE LYS A 4 -19.443 4.165 5.139 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.852 4.650 5.203 1.00 0.00 N ATOM 0 H LYS A 4 -15.023 6.399 7.373 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.851 5.047 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.485 7.403 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.614 6.787 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.838 4.466 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.718 5.671 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.085 6.248 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.158 5.136 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.364 3.337 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.133 3.785 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.475 3.870 5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.921 5.426 5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.144 4.992 4.265 1.00 0.00 H new ATOM 45 N GLU A 5 -12.926 7.360 5.301 1.00 0.00 N ATOM 46 CA GLU A 5 -11.989 8.367 4.726 1.00 0.00 C ATOM 47 C GLU A 5 -10.547 8.016 5.101 1.00 0.00 C ATOM 48 O GLU A 5 -9.778 8.871 5.492 1.00 0.00 O ATOM 49 CB GLU A 5 -12.326 9.755 5.278 1.00 0.00 C ATOM 50 CG GLU A 5 -13.834 9.867 5.519 1.00 0.00 C ATOM 51 CD GLU A 5 -14.175 11.295 5.947 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.298 11.962 6.468 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.310 11.696 5.747 1.00 0.00 O ATOM 0 H GLU A 5 -12.655 6.980 6.208 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.091 8.365 3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.786 9.927 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.003 10.524 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.379 9.608 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.144 9.161 6.289 1.00 0.00 H new ATOM 60 N LEU A 6 -10.163 6.773 4.977 1.00 0.00 N ATOM 61 CA LEU A 6 -8.770 6.403 5.320 1.00 0.00 C ATOM 62 C LEU A 6 -7.881 6.784 4.133 1.00 0.00 C ATOM 63 O LEU A 6 -8.144 6.411 3.012 1.00 0.00 O ATOM 64 CB LEU A 6 -8.706 4.892 5.615 1.00 0.00 C ATOM 65 CG LEU A 6 -7.349 4.479 6.219 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.013 5.326 7.450 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.423 3.019 6.653 1.00 0.00 C ATOM 0 H LEU A 6 -10.754 6.006 4.655 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.423 6.929 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.507 4.623 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.878 4.335 4.694 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.579 4.627 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.051 5.013 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.962 6.377 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.786 5.192 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.467 2.718 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.209 2.901 7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.646 2.393 5.789 1.00 0.00 H new ATOM 79 N LYS A 7 -6.863 7.570 4.364 1.00 0.00 N ATOM 80 CA LYS A 7 -5.992 8.023 3.239 1.00 0.00 C ATOM 81 C LYS A 7 -5.080 6.901 2.737 1.00 0.00 C ATOM 82 O LYS A 7 -4.289 6.346 3.483 1.00 0.00 O ATOM 83 CB LYS A 7 -5.129 9.192 3.714 1.00 0.00 C ATOM 84 CG LYS A 7 -5.866 10.509 3.465 1.00 0.00 C ATOM 85 CD LYS A 7 -5.064 11.665 4.068 1.00 0.00 C ATOM 86 CE LYS A 7 -5.569 12.991 3.494 1.00 0.00 C ATOM 87 NZ LYS A 7 -7.048 13.071 3.657 1.00 0.00 N ATOM 0 H LYS A 7 -6.596 7.919 5.285 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.638 8.327 2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.905 9.084 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.176 9.192 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.001 10.666 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.860 10.471 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.165 11.664 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.004 11.541 3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.090 13.827 4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.304 13.068 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.474 13.445 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.428 12.122 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.276 13.702 4.452 1.00 0.00 H new ATOM 101 N PHE A 8 -5.171 6.591 1.462 1.00 0.00 N ATOM 102 CA PHE A 8 -4.306 5.542 0.871 1.00 0.00 C ATOM 103 C PHE A 8 -3.358 6.184 -0.126 1.00 0.00 C ATOM 104 O PHE A 8 -3.703 7.142 -0.787 1.00 0.00 O ATOM 105 CB PHE A 8 -5.142 4.534 0.072 1.00 0.00 C ATOM 106 CG PHE A 8 -6.160 3.839 0.940 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.325 4.506 1.316 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.943 2.520 1.353 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.274 3.857 2.112 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.889 1.868 2.150 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.057 2.538 2.531 1.00 0.00 C ATOM 0 H PHE A 8 -5.818 7.031 0.807 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.779 5.047 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.650 5.049 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.483 3.793 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.494 5.523 0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.042 2.004 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.176 4.374 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.719 0.851 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.790 2.039 3.147 1.00 0.00 H new ATOM 121 N LEU A 9 -2.180 5.644 -0.258 1.00 0.00 N ATOM 122 CA LEU A 9 -1.217 6.196 -1.252 1.00 0.00 C ATOM 123 C LEU A 9 -0.953 5.156 -2.340 1.00 0.00 C ATOM 124 O LEU A 9 -0.569 4.040 -2.054 1.00 0.00 O ATOM 125 CB LEU A 9 0.095 6.524 -0.571 1.00 0.00 C ATOM 126 CG LEU A 9 1.068 7.146 -1.581 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.545 8.506 -2.040 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.411 7.319 -0.898 1.00 0.00 C ATOM 0 H LEU A 9 -1.842 4.845 0.278 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.642 7.099 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.077 7.215 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.529 5.620 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 9 1.166 6.500 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.242 8.941 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.430 8.381 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.449 9.168 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.121 7.760 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.298 7.974 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.781 6.347 -0.571 1.00 0.00 H new ATOM 140 N VAL A 10 -1.130 5.525 -3.581 1.00 0.00 N ATOM 141 CA VAL A 10 -0.863 4.576 -4.695 1.00 0.00 C ATOM 142 C VAL A 10 0.351 5.083 -5.486 1.00 0.00 C ATOM 143 O VAL A 10 0.262 6.021 -6.258 1.00 0.00 O ATOM 144 CB VAL A 10 -2.094 4.490 -5.599 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.042 3.413 -5.061 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.821 5.834 -5.622 1.00 0.00 C ATOM 0 H VAL A 10 -1.450 6.449 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.652 3.580 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.778 4.236 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.921 3.348 -5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.530 2.451 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.350 3.673 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.696 5.763 -6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.136 6.095 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.150 6.604 -6.003 1.00 0.00 H new ATOM 156 N VAL A 11 1.495 4.479 -5.277 1.00 0.00 N ATOM 157 CA VAL A 11 2.721 4.921 -5.991 1.00 0.00 C ATOM 158 C VAL A 11 2.953 4.032 -7.217 1.00 0.00 C ATOM 159 O VAL A 11 4.063 3.888 -7.688 1.00 0.00 O ATOM 160 CB VAL A 11 3.929 4.826 -5.051 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.188 5.323 -5.768 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.677 5.690 -3.815 1.00 0.00 C ATOM 0 H VAL A 11 1.627 3.695 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 11 2.595 5.955 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 11 4.072 3.787 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.042 5.253 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.370 4.710 -6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.049 6.361 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.534 5.625 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.532 6.727 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.785 5.335 -3.299 1.00 0.00 H new ATOM 172 N ASP A 12 1.914 3.438 -7.736 1.00 0.00 N ATOM 173 CA ASP A 12 2.077 2.560 -8.930 1.00 0.00 C ATOM 174 C ASP A 12 2.356 3.421 -10.164 1.00 0.00 C ATOM 175 O ASP A 12 1.854 4.520 -10.291 1.00 0.00 O ATOM 176 CB ASP A 12 0.793 1.757 -9.150 1.00 0.00 C ATOM 177 CG ASP A 12 0.471 0.953 -7.889 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.184 1.568 -6.875 1.00 0.00 O ATOM 179 OD2 ASP A 12 0.518 -0.264 -7.959 1.00 0.00 O ATOM 0 H ASP A 12 0.960 3.522 -7.386 1.00 0.00 H new ATOM 0 HA ASP A 12 2.911 1.878 -8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.032 2.429 -9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.912 1.086 -10.001 1.00 0.00 H new ATOM 184 N ASP A 13 3.156 2.925 -11.074 1.00 0.00 N ATOM 185 CA ASP A 13 3.477 3.704 -12.306 1.00 0.00 C ATOM 186 C ASP A 13 2.693 3.135 -13.490 1.00 0.00 C ATOM 187 O ASP A 13 2.927 3.489 -14.629 1.00 0.00 O ATOM 188 CB ASP A 13 4.975 3.600 -12.596 1.00 0.00 C ATOM 189 CG ASP A 13 5.466 2.194 -12.247 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.764 1.248 -12.564 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.535 2.087 -11.669 1.00 0.00 O ATOM 0 H ASP A 13 3.602 2.010 -11.015 1.00 0.00 H new ATOM 0 HA ASP A 13 3.203 4.748 -12.156 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.168 3.814 -13.647 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.521 4.342 -12.014 1.00 0.00 H new ATOM 196 N PHE A 14 1.765 2.254 -13.233 1.00 0.00 N ATOM 197 CA PHE A 14 0.969 1.660 -14.344 1.00 0.00 C ATOM 198 C PHE A 14 0.233 2.770 -15.098 1.00 0.00 C ATOM 199 O PHE A 14 0.464 3.942 -14.868 1.00 0.00 O ATOM 200 CB PHE A 14 -0.048 0.671 -13.770 1.00 0.00 C ATOM 201 CG PHE A 14 -0.226 -0.486 -14.727 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.847 -1.345 -14.993 1.00 0.00 C ATOM 203 CD2 PHE A 14 -1.462 -0.697 -15.351 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.685 -2.416 -15.880 1.00 0.00 C ATOM 205 CE2 PHE A 14 -1.625 -1.768 -16.238 1.00 0.00 C ATOM 206 CZ PHE A 14 -0.551 -2.626 -16.503 1.00 0.00 C ATOM 0 H PHE A 14 1.524 1.920 -12.300 1.00 0.00 H new ATOM 0 HA PHE A 14 1.637 1.138 -15.030 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.292 0.306 -12.801 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.003 1.170 -13.605 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.801 -1.181 -14.513 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.290 -0.033 -15.148 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.513 -3.079 -16.083 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.579 -1.932 -16.717 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.676 -3.451 -17.189 1.00 0.00 H new ATOM 216 N SER A 15 -0.646 2.406 -15.998 1.00 0.00 N ATOM 217 CA SER A 15 -1.404 3.429 -16.783 1.00 0.00 C ATOM 218 C SER A 15 -2.906 3.229 -16.568 1.00 0.00 C ATOM 219 O SER A 15 -3.722 3.902 -17.164 1.00 0.00 O ATOM 220 CB SER A 15 -1.080 3.271 -18.268 1.00 0.00 C ATOM 221 OG SER A 15 -0.452 4.455 -18.741 1.00 0.00 O ATOM 0 H SER A 15 -0.873 1.438 -16.224 1.00 0.00 H new ATOM 0 HA SER A 15 -1.119 4.427 -16.450 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.425 2.413 -18.420 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.992 3.079 -18.833 1.00 0.00 H new ATOM 0 HG SER A 15 -0.241 4.356 -19.693 1.00 0.00 H new ATOM 227 N THR A 16 -3.277 2.310 -15.719 1.00 0.00 N ATOM 228 CA THR A 16 -4.726 2.073 -15.466 1.00 0.00 C ATOM 229 C THR A 16 -4.895 1.308 -14.152 1.00 0.00 C ATOM 230 O THR A 16 -5.973 0.858 -13.818 1.00 0.00 O ATOM 231 CB THR A 16 -5.320 1.255 -16.616 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.629 0.828 -16.263 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.440 0.033 -16.890 1.00 0.00 C ATOM 0 H THR A 16 -2.640 1.714 -15.190 1.00 0.00 H new ATOM 0 HA THR A 16 -5.244 3.030 -15.398 1.00 0.00 H new ATOM 0 HB THR A 16 -5.366 1.872 -17.513 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.823 1.096 -15.341 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.866 -0.546 -17.709 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.436 0.361 -17.161 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.390 -0.587 -15.995 1.00 0.00 H new ATOM 241 N MET A 17 -3.837 1.160 -13.403 1.00 0.00 N ATOM 242 CA MET A 17 -3.936 0.428 -12.109 1.00 0.00 C ATOM 243 C MET A 17 -4.448 1.381 -11.028 1.00 0.00 C ATOM 244 O MET A 17 -5.296 1.036 -10.231 1.00 0.00 O ATOM 245 CB MET A 17 -2.553 -0.097 -11.715 1.00 0.00 C ATOM 246 CG MET A 17 -2.680 -1.004 -10.491 1.00 0.00 C ATOM 247 SD MET A 17 -2.239 -2.699 -10.946 1.00 0.00 S ATOM 248 CE MET A 17 -0.472 -2.581 -10.577 1.00 0.00 C ATOM 0 H MET A 17 -2.908 1.514 -13.631 1.00 0.00 H new ATOM 0 HA MET A 17 -4.626 -0.410 -12.213 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.112 -0.649 -12.545 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.885 0.736 -11.495 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.028 -0.649 -9.693 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.700 -0.973 -10.107 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.009 -3.536 -10.790 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.023 -1.803 -11.194 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.336 -2.333 -9.524 1.00 0.00 H new ATOM 258 N ARG A 18 -3.939 2.581 -10.996 1.00 0.00 N ATOM 259 CA ARG A 18 -4.395 3.558 -9.968 1.00 0.00 C ATOM 260 C ARG A 18 -5.909 3.752 -10.086 1.00 0.00 C ATOM 261 O ARG A 18 -6.599 3.934 -9.103 1.00 0.00 O ATOM 262 CB ARG A 18 -3.692 4.900 -10.190 1.00 0.00 C ATOM 263 CG ARG A 18 -2.218 4.659 -10.530 1.00 0.00 C ATOM 264 CD ARG A 18 -2.012 4.800 -12.040 1.00 0.00 C ATOM 265 NE ARG A 18 -2.001 6.243 -12.409 1.00 0.00 N ATOM 266 CZ ARG A 18 -2.861 6.699 -13.279 1.00 0.00 C ATOM 267 NH1 ARG A 18 -4.034 7.110 -12.882 1.00 0.00 N ATOM 268 NH2 ARG A 18 -2.548 6.741 -14.546 1.00 0.00 N ATOM 0 H ARG A 18 -3.226 2.928 -11.638 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.151 3.180 -8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.177 5.447 -10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.773 5.517 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.590 5.374 -9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.916 3.664 -10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.073 4.332 -12.335 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.808 4.283 -12.576 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.323 6.874 -11.983 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.279 7.075 -11.892 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.706 7.466 -13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.632 6.418 -14.856 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.220 7.097 -15.226 1.00 0.00 H new ATOM 282 N ARG A 19 -6.430 3.716 -11.283 1.00 0.00 N ATOM 283 CA ARG A 19 -7.899 3.900 -11.466 1.00 0.00 C ATOM 284 C ARG A 19 -8.632 2.640 -10.999 1.00 0.00 C ATOM 285 O ARG A 19 -9.772 2.693 -10.580 1.00 0.00 O ATOM 286 CB ARG A 19 -8.198 4.143 -12.952 1.00 0.00 C ATOM 287 CG ARG A 19 -8.840 5.521 -13.159 1.00 0.00 C ATOM 288 CD ARG A 19 -10.306 5.481 -12.717 1.00 0.00 C ATOM 289 NE ARG A 19 -10.861 6.864 -12.714 1.00 0.00 N ATOM 290 CZ ARG A 19 -11.305 7.390 -13.823 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.077 6.798 -14.963 1.00 0.00 N ATOM 292 NH2 ARG A 19 -11.976 8.508 -13.791 1.00 0.00 N ATOM 0 H ARG A 19 -5.902 3.567 -12.143 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.236 4.755 -10.880 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.276 4.076 -13.529 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.865 3.366 -13.325 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.298 6.274 -12.587 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.774 5.809 -14.208 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.883 4.847 -13.391 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.385 5.044 -11.722 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.894 7.399 -11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.552 5.924 -14.988 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.424 7.209 -15.830 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.154 8.971 -12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.323 8.919 -14.657 1.00 0.00 H new ATOM 306 N ILE A 20 -7.988 1.508 -11.071 1.00 0.00 N ATOM 307 CA ILE A 20 -8.648 0.245 -10.635 1.00 0.00 C ATOM 308 C ILE A 20 -8.844 0.268 -9.119 1.00 0.00 C ATOM 309 O ILE A 20 -9.899 -0.065 -8.616 1.00 0.00 O ATOM 310 CB ILE A 20 -7.763 -0.948 -11.025 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.166 -1.439 -12.418 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.931 -2.091 -10.016 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.096 -2.394 -12.952 1.00 0.00 C ATOM 0 H ILE A 20 -7.033 1.403 -11.413 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.619 0.152 -11.120 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.720 -0.630 -11.027 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.130 -1.945 -12.372 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.283 -0.592 -13.094 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.297 -2.929 -10.307 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.643 -1.745 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.972 -2.412 -10.000 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.383 -2.744 -13.944 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.141 -1.873 -13.013 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.001 -3.247 -12.280 1.00 0.00 H new ATOM 325 N VAL A 21 -7.833 0.641 -8.385 1.00 0.00 N ATOM 326 CA VAL A 21 -7.964 0.662 -6.902 1.00 0.00 C ATOM 327 C VAL A 21 -8.900 1.797 -6.467 1.00 0.00 C ATOM 328 O VAL A 21 -9.597 1.690 -5.478 1.00 0.00 O ATOM 329 CB VAL A 21 -6.588 0.849 -6.263 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.186 -0.445 -5.553 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.555 1.167 -7.345 1.00 0.00 C ATOM 0 H VAL A 21 -6.925 0.931 -8.747 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.387 -0.287 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.629 1.671 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.205 -0.319 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.919 -0.680 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.147 -1.260 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.576 1.300 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.512 0.345 -8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.840 2.083 -7.862 1.00 0.00 H new ATOM 341 N ARG A 22 -8.927 2.880 -7.194 1.00 0.00 N ATOM 342 CA ARG A 22 -9.824 4.013 -6.815 1.00 0.00 C ATOM 343 C ARG A 22 -11.245 3.489 -6.607 1.00 0.00 C ATOM 344 O ARG A 22 -11.834 3.647 -5.556 1.00 0.00 O ATOM 345 CB ARG A 22 -9.848 5.043 -7.949 1.00 0.00 C ATOM 346 CG ARG A 22 -9.219 6.368 -7.496 1.00 0.00 C ATOM 347 CD ARG A 22 -7.703 6.210 -7.358 1.00 0.00 C ATOM 348 NE ARG A 22 -7.128 7.448 -6.760 1.00 0.00 N ATOM 349 CZ ARG A 22 -7.666 8.609 -7.023 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.755 9.021 -8.257 1.00 0.00 N ATOM 351 NH2 ARG A 22 -8.117 9.356 -6.054 1.00 0.00 N ATOM 0 H ARG A 22 -8.368 3.031 -8.034 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.455 4.472 -5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.306 4.654 -8.811 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.876 5.214 -8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.447 7.153 -8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.649 6.677 -6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.472 5.349 -6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.256 6.023 -8.334 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.315 7.389 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.405 8.437 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.175 9.927 -8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.050 9.034 -5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.537 10.262 -6.262 1.00 0.00 H new ATOM 365 N ASN A 23 -11.795 2.869 -7.610 1.00 0.00 N ATOM 366 CA ASN A 23 -13.166 2.327 -7.514 1.00 0.00 C ATOM 367 C ASN A 23 -13.200 1.222 -6.471 1.00 0.00 C ATOM 368 O ASN A 23 -13.979 1.239 -5.540 1.00 0.00 O ATOM 369 CB ASN A 23 -13.497 1.727 -8.865 1.00 0.00 C ATOM 370 CG ASN A 23 -14.886 2.181 -9.319 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.091 3.341 -9.616 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.855 1.309 -9.387 1.00 0.00 N ATOM 0 H ASN A 23 -11.338 2.714 -8.509 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.875 3.107 -7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.750 2.030 -9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.463 0.639 -8.806 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.784 1.602 -9.689 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.683 0.335 -9.138 1.00 0.00 H new ATOM 379 N LEU A 24 -12.349 0.258 -6.644 1.00 0.00 N ATOM 380 CA LEU A 24 -12.284 -0.885 -5.695 1.00 0.00 C ATOM 381 C LEU A 24 -12.404 -0.366 -4.258 1.00 0.00 C ATOM 382 O LEU A 24 -13.306 -0.730 -3.533 1.00 0.00 O ATOM 383 CB LEU A 24 -10.932 -1.570 -5.890 1.00 0.00 C ATOM 384 CG LEU A 24 -10.943 -3.008 -5.327 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.740 -4.021 -6.463 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.814 -3.199 -4.307 1.00 0.00 C ATOM 0 H LEU A 24 -11.683 0.211 -7.415 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.097 -1.587 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.685 -1.595 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.153 -0.990 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.907 -3.170 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.749 -5.032 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.544 -3.916 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.783 -3.835 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.840 -4.219 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.853 -3.017 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.945 -2.497 -3.483 1.00 0.00 H new ATOM 398 N LEU A 25 -11.512 0.493 -3.843 1.00 0.00 N ATOM 399 CA LEU A 25 -11.594 1.041 -2.458 1.00 0.00 C ATOM 400 C LEU A 25 -12.944 1.732 -2.280 1.00 0.00 C ATOM 401 O LEU A 25 -13.637 1.522 -1.305 1.00 0.00 O ATOM 402 CB LEU A 25 -10.472 2.061 -2.240 1.00 0.00 C ATOM 403 CG LEU A 25 -9.133 1.345 -2.022 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.012 2.383 -1.962 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.157 0.556 -0.706 1.00 0.00 C ATOM 0 H LEU A 25 -10.732 0.838 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.490 0.231 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.401 2.723 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.702 2.686 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.963 0.654 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.058 1.879 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.981 2.939 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.197 3.071 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.200 0.054 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.334 1.239 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.955 -0.186 -0.741 1.00 0.00 H new ATOM 417 N LYS A 26 -13.323 2.558 -3.216 1.00 0.00 N ATOM 418 CA LYS A 26 -14.625 3.260 -3.098 1.00 0.00 C ATOM 419 C LYS A 26 -15.730 2.237 -2.833 1.00 0.00 C ATOM 420 O LYS A 26 -16.681 2.509 -2.126 1.00 0.00 O ATOM 421 CB LYS A 26 -14.923 4.018 -4.395 1.00 0.00 C ATOM 422 CG LYS A 26 -16.251 4.766 -4.259 1.00 0.00 C ATOM 423 CD LYS A 26 -16.361 5.815 -5.369 1.00 0.00 C ATOM 424 CE LYS A 26 -17.794 5.846 -5.905 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.006 4.692 -6.823 1.00 0.00 N ATOM 0 H LYS A 26 -12.786 2.775 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.581 3.970 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.118 4.721 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.970 3.322 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.084 4.065 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.312 5.246 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.084 6.797 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.665 5.581 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.504 5.802 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.976 6.782 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.944 4.768 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.273 4.696 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.949 3.804 -6.284 1.00 0.00 H new ATOM 439 N GLU A 27 -15.616 1.059 -3.390 1.00 0.00 N ATOM 440 CA GLU A 27 -16.667 0.032 -3.161 1.00 0.00 C ATOM 441 C GLU A 27 -16.960 -0.057 -1.665 1.00 0.00 C ATOM 442 O GLU A 27 -18.096 -0.188 -1.252 1.00 0.00 O ATOM 443 CB GLU A 27 -16.192 -1.332 -3.673 1.00 0.00 C ATOM 444 CG GLU A 27 -17.346 -2.336 -3.616 1.00 0.00 C ATOM 445 CD GLU A 27 -17.005 -3.554 -4.478 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.828 -3.802 -4.677 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.929 -4.215 -4.924 1.00 0.00 O ATOM 0 H GLU A 27 -14.844 0.768 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.571 0.315 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.828 -1.240 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.358 -1.688 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.523 -2.644 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.265 -1.871 -3.972 1.00 0.00 H new ATOM 454 N LEU A 28 -15.946 0.019 -0.847 1.00 0.00 N ATOM 455 CA LEU A 28 -16.178 -0.054 0.623 1.00 0.00 C ATOM 456 C LEU A 28 -16.789 1.263 1.098 1.00 0.00 C ATOM 457 O LEU A 28 -17.922 1.313 1.534 1.00 0.00 O ATOM 458 CB LEU A 28 -14.851 -0.296 1.349 1.00 0.00 C ATOM 459 CG LEU A 28 -15.102 -1.135 2.608 1.00 0.00 C ATOM 460 CD1 LEU A 28 -15.461 -2.576 2.225 1.00 0.00 C ATOM 461 CD2 LEU A 28 -13.839 -1.143 3.472 1.00 0.00 C ATOM 0 H LEU A 28 -14.972 0.128 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.858 -0.877 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.152 -0.811 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.393 0.656 1.619 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.931 -0.698 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.636 -3.160 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.363 -2.576 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.639 -3.018 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.015 -1.739 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.013 -1.574 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.588 -0.122 3.759 1.00 0.00 H new ATOM 473 N GLY A 29 -16.047 2.331 1.017 1.00 0.00 N ATOM 474 CA GLY A 29 -16.579 3.642 1.459 1.00 0.00 C ATOM 475 C GLY A 29 -15.428 4.620 1.716 1.00 0.00 C ATOM 476 O GLY A 29 -15.526 5.494 2.550 1.00 0.00 O ATOM 0 H GLY A 29 -15.091 2.349 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.247 4.047 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.169 3.516 2.367 1.00 0.00 H new ATOM 480 N PHE A 30 -14.337 4.482 1.012 1.00 0.00 N ATOM 481 CA PHE A 30 -13.185 5.408 1.232 1.00 0.00 C ATOM 482 C PHE A 30 -13.250 6.570 0.236 1.00 0.00 C ATOM 483 O PHE A 30 -13.721 6.421 -0.874 1.00 0.00 O ATOM 484 CB PHE A 30 -11.877 4.648 1.014 1.00 0.00 C ATOM 485 CG PHE A 30 -11.719 3.568 2.061 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.524 3.916 3.402 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.757 2.221 1.689 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.367 2.916 4.370 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.600 1.221 2.655 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.405 1.569 3.996 1.00 0.00 C ATOM 0 H PHE A 30 -14.192 3.771 0.296 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.231 5.796 2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.868 4.204 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.035 5.338 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.495 4.956 3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.908 1.952 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.217 3.185 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.629 0.181 2.366 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.284 0.798 4.742 1.00 0.00 H new ATOM 500 N ASN A 31 -12.784 7.731 0.624 1.00 0.00 N ATOM 501 CA ASN A 31 -12.821 8.894 -0.292 1.00 0.00 C ATOM 502 C ASN A 31 -11.592 9.788 -0.049 1.00 0.00 C ATOM 503 O ASN A 31 -11.712 10.937 0.329 1.00 0.00 O ATOM 504 CB ASN A 31 -14.097 9.678 -0.008 1.00 0.00 C ATOM 505 CG ASN A 31 -14.460 9.547 1.473 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.861 10.184 2.316 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.424 8.742 1.827 1.00 0.00 N ATOM 0 H ASN A 31 -12.379 7.916 1.542 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.806 8.560 -1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.957 10.727 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.912 9.303 -0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.674 8.648 2.811 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.927 8.207 1.119 1.00 0.00 H new ATOM 514 N ASN A 32 -10.407 9.273 -0.261 1.00 0.00 N ATOM 515 CA ASN A 32 -9.181 10.102 -0.040 1.00 0.00 C ATOM 516 C ASN A 32 -7.938 9.306 -0.456 1.00 0.00 C ATOM 517 O ASN A 32 -7.500 8.415 0.242 1.00 0.00 O ATOM 518 CB ASN A 32 -9.069 10.479 1.442 1.00 0.00 C ATOM 519 CG ASN A 32 -8.623 11.937 1.566 1.00 0.00 C ATOM 520 OD1 ASN A 32 -9.133 12.672 2.388 1.00 0.00 O ATOM 521 ND2 ASN A 32 -7.687 12.390 0.778 1.00 0.00 N ATOM 0 H ASN A 32 -10.235 8.318 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.251 11.009 -0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.030 10.338 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.354 9.825 1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.384 13.361 0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.259 11.773 0.088 1.00 0.00 H new ATOM 528 N VAL A 33 -7.367 9.624 -1.591 1.00 0.00 N ATOM 529 CA VAL A 33 -6.155 8.886 -2.059 1.00 0.00 C ATOM 530 C VAL A 33 -5.214 9.850 -2.782 1.00 0.00 C ATOM 531 O VAL A 33 -5.651 10.797 -3.406 1.00 0.00 O ATOM 532 CB VAL A 33 -6.588 7.785 -3.039 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.363 7.056 -3.601 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.490 6.782 -2.321 1.00 0.00 C ATOM 0 H VAL A 33 -7.689 10.364 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.642 8.448 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.133 8.247 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.688 6.279 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.726 7.767 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.803 6.602 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.795 6.002 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.946 6.333 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.374 7.295 -1.941 1.00 0.00 H new ATOM 544 N GLU A 34 -3.927 9.600 -2.722 1.00 0.00 N ATOM 545 CA GLU A 34 -2.954 10.478 -3.426 1.00 0.00 C ATOM 546 C GLU A 34 -2.114 9.592 -4.343 1.00 0.00 C ATOM 547 O GLU A 34 -2.414 8.429 -4.518 1.00 0.00 O ATOM 548 CB GLU A 34 -2.082 11.201 -2.400 1.00 0.00 C ATOM 549 CG GLU A 34 -2.960 12.118 -1.544 1.00 0.00 C ATOM 550 CD GLU A 34 -3.681 11.288 -0.479 1.00 0.00 C ATOM 551 OE1 GLU A 34 -3.052 10.411 0.089 1.00 0.00 O ATOM 552 OE2 GLU A 34 -4.852 11.544 -0.251 1.00 0.00 O ATOM 0 H GLU A 34 -3.512 8.820 -2.212 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.463 11.238 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.568 10.477 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.313 11.784 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.348 12.885 -1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.687 12.633 -2.172 1.00 0.00 H new ATOM 559 N GLU A 35 -1.088 10.115 -4.952 1.00 0.00 N ATOM 560 CA GLU A 35 -0.283 9.265 -5.878 1.00 0.00 C ATOM 561 C GLU A 35 1.175 9.723 -5.908 1.00 0.00 C ATOM 562 O GLU A 35 1.481 10.884 -5.722 1.00 0.00 O ATOM 563 CB GLU A 35 -0.874 9.378 -7.287 1.00 0.00 C ATOM 564 CG GLU A 35 -0.346 8.245 -8.170 1.00 0.00 C ATOM 565 CD GLU A 35 -0.032 8.792 -9.565 1.00 0.00 C ATOM 566 OE1 GLU A 35 -0.896 9.440 -10.134 1.00 0.00 O ATOM 567 OE2 GLU A 35 1.065 8.552 -10.041 1.00 0.00 O ATOM 0 H GLU A 35 -0.773 11.080 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.315 8.233 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.962 9.335 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.613 10.342 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.551 7.811 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.086 7.447 -8.238 1.00 0.00 H new ATOM 574 N ALA A 36 2.072 8.810 -6.164 1.00 0.00 N ATOM 575 CA ALA A 36 3.517 9.171 -6.237 1.00 0.00 C ATOM 576 C ALA A 36 4.174 8.333 -7.337 1.00 0.00 C ATOM 577 O ALA A 36 3.513 7.566 -8.009 1.00 0.00 O ATOM 578 CB ALA A 36 4.190 8.887 -4.894 1.00 0.00 C ATOM 0 H ALA A 36 1.865 7.825 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 36 3.625 10.232 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.246 9.152 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.710 9.478 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.095 7.827 -4.656 1.00 0.00 H new ATOM 584 N GLU A 37 5.458 8.472 -7.540 1.00 0.00 N ATOM 585 CA GLU A 37 6.126 7.676 -8.610 1.00 0.00 C ATOM 586 C GLU A 37 7.545 7.290 -8.186 1.00 0.00 C ATOM 587 O GLU A 37 8.373 6.951 -9.008 1.00 0.00 O ATOM 588 CB GLU A 37 6.189 8.506 -9.893 1.00 0.00 C ATOM 589 CG GLU A 37 6.837 9.860 -9.600 1.00 0.00 C ATOM 590 CD GLU A 37 6.963 10.659 -10.899 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.988 10.719 -11.630 1.00 0.00 O ATOM 592 OE2 GLU A 37 8.031 11.197 -11.139 1.00 0.00 O ATOM 0 H GLU A 37 6.069 9.098 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 37 5.551 6.766 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.762 7.975 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.186 8.651 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.237 10.413 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.821 9.715 -9.153 1.00 0.00 H new ATOM 599 N ASP A 38 7.841 7.329 -6.915 1.00 0.00 N ATOM 600 CA ASP A 38 9.208 6.953 -6.468 1.00 0.00 C ATOM 601 C ASP A 38 9.309 7.169 -4.962 1.00 0.00 C ATOM 602 O ASP A 38 8.590 7.962 -4.398 1.00 0.00 O ATOM 603 CB ASP A 38 10.238 7.825 -7.187 1.00 0.00 C ATOM 604 CG ASP A 38 11.338 8.223 -6.204 1.00 0.00 C ATOM 605 OD1 ASP A 38 11.110 9.141 -5.435 1.00 0.00 O ATOM 606 OD2 ASP A 38 12.389 7.604 -6.238 1.00 0.00 O ATOM 0 H ASP A 38 7.198 7.604 -6.172 1.00 0.00 H new ATOM 0 HA ASP A 38 9.403 5.907 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.666 7.282 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.758 8.715 -7.593 1.00 0.00 H new ATOM 611 N GLY A 39 10.185 6.465 -4.301 1.00 0.00 N ATOM 612 CA GLY A 39 10.306 6.638 -2.826 1.00 0.00 C ATOM 613 C GLY A 39 10.437 8.114 -2.494 1.00 0.00 C ATOM 614 O GLY A 39 9.657 8.654 -1.734 1.00 0.00 O ATOM 0 H GLY A 39 10.819 5.781 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.432 6.219 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.175 6.093 -2.456 1.00 0.00 H new ATOM 618 N VAL A 40 11.401 8.782 -3.059 1.00 0.00 N ATOM 619 CA VAL A 40 11.541 10.227 -2.767 1.00 0.00 C ATOM 620 C VAL A 40 10.177 10.881 -2.978 1.00 0.00 C ATOM 621 O VAL A 40 9.874 11.909 -2.406 1.00 0.00 O ATOM 622 CB VAL A 40 12.572 10.852 -3.710 1.00 0.00 C ATOM 623 CG1 VAL A 40 13.166 12.102 -3.058 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.693 9.846 -3.986 1.00 0.00 C ATOM 0 H VAL A 40 12.090 8.393 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 40 11.879 10.377 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 40 12.086 11.122 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.900 12.548 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.372 12.821 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.650 11.828 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.426 10.293 -4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.178 9.575 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.274 8.953 -4.449 1.00 0.00 H new ATOM 634 N ASP A 41 9.345 10.279 -3.793 1.00 0.00 N ATOM 635 CA ASP A 41 8.001 10.846 -4.044 1.00 0.00 C ATOM 636 C ASP A 41 7.032 10.375 -2.958 1.00 0.00 C ATOM 637 O ASP A 41 6.233 11.141 -2.461 1.00 0.00 O ATOM 638 CB ASP A 41 7.517 10.361 -5.405 1.00 0.00 C ATOM 639 CG ASP A 41 6.600 11.411 -6.034 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.631 11.782 -5.395 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.886 11.830 -7.143 1.00 0.00 O ATOM 0 H ASP A 41 9.549 9.414 -4.294 1.00 0.00 H new ATOM 0 HA ASP A 41 8.047 11.935 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.369 10.171 -6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.983 9.417 -5.296 1.00 0.00 H new ATOM 646 N ALA A 42 7.089 9.122 -2.582 1.00 0.00 N ATOM 647 CA ALA A 42 6.158 8.631 -1.530 1.00 0.00 C ATOM 648 C ALA A 42 6.480 9.325 -0.203 1.00 0.00 C ATOM 649 O ALA A 42 5.599 9.767 0.507 1.00 0.00 O ATOM 650 CB ALA A 42 6.317 7.117 -1.377 1.00 0.00 C ATOM 0 H ALA A 42 7.735 8.426 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 42 5.130 8.857 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.636 6.756 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.086 6.629 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.343 6.886 -1.091 1.00 0.00 H new ATOM 656 N LEU A 43 7.735 9.420 0.139 1.00 0.00 N ATOM 657 CA LEU A 43 8.112 10.077 1.423 1.00 0.00 C ATOM 658 C LEU A 43 7.750 11.566 1.381 1.00 0.00 C ATOM 659 O LEU A 43 7.051 12.064 2.240 1.00 0.00 O ATOM 660 CB LEU A 43 9.623 9.926 1.645 1.00 0.00 C ATOM 661 CG LEU A 43 9.941 9.787 3.143 1.00 0.00 C ATOM 662 CD1 LEU A 43 9.338 10.963 3.916 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.368 8.472 3.687 1.00 0.00 C ATOM 0 H LEU A 43 8.517 9.071 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 43 7.568 9.603 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.989 9.051 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.144 10.792 1.236 1.00 0.00 H new ATOM 0 HG LEU A 43 11.024 9.786 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.567 10.857 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.760 11.897 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.257 10.973 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.600 8.386 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.287 8.462 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.810 7.633 3.150 1.00 0.00 H new ATOM 675 N ASN A 44 8.229 12.287 0.401 1.00 0.00 N ATOM 676 CA ASN A 44 7.912 13.744 0.334 1.00 0.00 C ATOM 677 C ASN A 44 6.398 13.955 0.304 1.00 0.00 C ATOM 678 O ASN A 44 5.889 14.932 0.817 1.00 0.00 O ATOM 679 CB ASN A 44 8.525 14.346 -0.932 1.00 0.00 C ATOM 680 CG ASN A 44 9.995 14.689 -0.676 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.305 15.455 0.214 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.918 14.150 -1.424 1.00 0.00 N ATOM 0 H ASN A 44 8.821 11.933 -0.350 1.00 0.00 H new ATOM 0 HA ASN A 44 8.327 14.233 1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.444 13.640 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.977 15.242 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.900 14.372 -1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.657 13.507 -2.171 1.00 0.00 H new ATOM 689 N LYS A 45 5.675 13.061 -0.306 1.00 0.00 N ATOM 690 CA LYS A 45 4.196 13.229 -0.382 1.00 0.00 C ATOM 691 C LYS A 45 3.518 12.617 0.846 1.00 0.00 C ATOM 692 O LYS A 45 2.329 12.776 1.040 1.00 0.00 O ATOM 693 CB LYS A 45 3.666 12.544 -1.642 1.00 0.00 C ATOM 694 CG LYS A 45 4.113 13.327 -2.878 1.00 0.00 C ATOM 695 CD LYS A 45 3.050 14.369 -3.236 1.00 0.00 C ATOM 696 CE LYS A 45 3.614 15.335 -4.279 1.00 0.00 C ATOM 697 NZ LYS A 45 4.789 14.712 -4.951 1.00 0.00 N ATOM 0 H LYS A 45 6.042 12.222 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 45 3.971 14.295 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.036 11.520 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.578 12.489 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.067 13.817 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.267 12.647 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.159 13.876 -3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.747 14.917 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.848 15.579 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.908 16.270 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.047 15.271 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.593 14.686 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.549 13.743 -5.242 1.00 0.00 H new ATOM 711 N LEU A 46 4.240 11.917 1.680 1.00 0.00 N ATOM 712 CA LEU A 46 3.578 11.315 2.873 1.00 0.00 C ATOM 713 C LEU A 46 3.376 12.396 3.937 1.00 0.00 C ATOM 714 O LEU A 46 2.375 12.420 4.625 1.00 0.00 O ATOM 715 CB LEU A 46 4.436 10.174 3.455 1.00 0.00 C ATOM 716 CG LEU A 46 3.678 8.836 3.384 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.947 8.154 2.045 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.136 7.904 4.494 1.00 0.00 C ATOM 0 H LEU A 46 5.240 11.738 1.590 1.00 0.00 H new ATOM 0 HA LEU A 46 2.615 10.905 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.372 10.098 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.694 10.397 4.490 1.00 0.00 H new ATOM 0 HG LEU A 46 2.614 9.045 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.407 7.208 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.611 8.800 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.016 7.966 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.589 6.963 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.204 7.711 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.944 8.368 5.461 1.00 0.00 H new ATOM 730 N GLN A 47 4.312 13.294 4.075 1.00 0.00 N ATOM 731 CA GLN A 47 4.157 14.371 5.092 1.00 0.00 C ATOM 732 C GLN A 47 2.867 15.142 4.807 1.00 0.00 C ATOM 733 O GLN A 47 2.451 15.986 5.575 1.00 0.00 O ATOM 734 CB GLN A 47 5.354 15.321 5.017 1.00 0.00 C ATOM 735 CG GLN A 47 5.626 15.689 3.557 1.00 0.00 C ATOM 736 CD GLN A 47 6.217 17.099 3.488 1.00 0.00 C ATOM 737 OE1 GLN A 47 5.722 17.942 2.766 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.261 17.393 4.213 1.00 0.00 N ATOM 0 H GLN A 47 5.174 13.329 3.530 1.00 0.00 H new ATOM 0 HA GLN A 47 4.110 13.934 6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.154 16.221 5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.234 14.849 5.454 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.316 14.972 3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.702 15.642 2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.677 16.686 4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.662 18.330 4.174 1.00 0.00 H new ATOM 747 N ALA A 48 2.234 14.856 3.703 1.00 0.00 N ATOM 748 CA ALA A 48 0.974 15.566 3.354 1.00 0.00 C ATOM 749 C ALA A 48 0.053 15.618 4.575 1.00 0.00 C ATOM 750 O ALA A 48 -0.206 16.672 5.121 1.00 0.00 O ATOM 751 CB ALA A 48 0.270 14.821 2.218 1.00 0.00 C ATOM 0 H ALA A 48 2.538 14.157 3.025 1.00 0.00 H new ATOM 0 HA ALA A 48 1.209 16.582 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.654 15.339 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.923 14.787 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.039 13.805 2.538 1.00 0.00 H new ATOM 757 N GLY A 49 -0.449 14.488 5.001 1.00 0.00 N ATOM 758 CA GLY A 49 -1.360 14.470 6.183 1.00 0.00 C ATOM 759 C GLY A 49 -1.066 13.240 7.043 1.00 0.00 C ATOM 760 O GLY A 49 -0.189 13.256 7.883 1.00 0.00 O ATOM 0 H GLY A 49 -0.267 13.577 4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.225 15.378 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.399 14.455 5.853 1.00 0.00 H new ATOM 764 N GLY A 50 -1.793 12.174 6.844 1.00 0.00 N ATOM 765 CA GLY A 50 -1.552 10.949 7.657 1.00 0.00 C ATOM 766 C GLY A 50 -2.042 9.716 6.896 1.00 0.00 C ATOM 767 O GLY A 50 -3.095 9.178 7.173 1.00 0.00 O ATOM 0 H GLY A 50 -2.542 12.099 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.489 10.852 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.071 11.028 8.612 1.00 0.00 H new ATOM 771 N TYR A 51 -1.280 9.262 5.943 1.00 0.00 N ATOM 772 CA TYR A 51 -1.683 8.063 5.162 1.00 0.00 C ATOM 773 C TYR A 51 -1.847 6.871 6.091 1.00 0.00 C ATOM 774 O TYR A 51 -0.944 6.076 6.265 1.00 0.00 O ATOM 775 CB TYR A 51 -0.591 7.737 4.144 1.00 0.00 C ATOM 776 CG TYR A 51 -0.460 8.798 3.062 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.307 9.926 2.983 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.550 8.637 2.117 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.121 10.866 1.964 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.729 9.576 1.102 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.104 10.693 1.025 1.00 0.00 C ATOM 782 OH TYR A 51 0.077 11.623 0.021 1.00 0.00 O ATOM 0 H TYR A 51 -0.388 9.674 5.670 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.627 8.268 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.363 7.632 4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.809 6.775 3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.096 10.062 3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.201 7.777 2.171 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.767 11.729 1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.514 9.439 0.373 1.00 0.00 H new ATOM 0 HH TYR A 51 0.891 12.140 0.197 1.00 0.00 H new ATOM 792 N GLY A 52 -3.001 6.715 6.666 1.00 0.00 N ATOM 793 CA GLY A 52 -3.218 5.547 7.550 1.00 0.00 C ATOM 794 C GLY A 52 -3.061 4.284 6.708 1.00 0.00 C ATOM 795 O GLY A 52 -3.186 3.179 7.194 1.00 0.00 O ATOM 0 H GLY A 52 -3.799 7.342 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.499 5.551 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.211 5.586 7.997 1.00 0.00 H new ATOM 799 N PHE A 53 -2.813 4.446 5.431 1.00 0.00 N ATOM 800 CA PHE A 53 -2.677 3.262 4.545 1.00 0.00 C ATOM 801 C PHE A 53 -1.795 3.615 3.334 1.00 0.00 C ATOM 802 O PHE A 53 -1.828 4.722 2.827 1.00 0.00 O ATOM 803 CB PHE A 53 -4.075 2.910 4.074 1.00 0.00 C ATOM 804 CG PHE A 53 -4.281 1.425 4.016 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.798 0.701 2.934 1.00 0.00 C ATOM 806 CD2 PHE A 53 -5.020 0.783 5.013 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.048 -0.662 2.839 1.00 0.00 C ATOM 808 CE2 PHE A 53 -5.262 -0.584 4.928 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.781 -1.312 3.834 1.00 0.00 C ATOM 0 H PHE A 53 -2.700 5.349 4.970 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.214 2.427 5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.809 3.354 4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.246 3.340 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.227 1.199 2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.403 1.348 5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.675 -1.220 1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.821 -1.083 5.706 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.976 -2.372 3.760 1.00 0.00 H new ATOM 819 N VAL A 54 -1.005 2.687 2.860 1.00 0.00 N ATOM 820 CA VAL A 54 -0.133 2.993 1.687 1.00 0.00 C ATOM 821 C VAL A 54 -0.041 1.779 0.760 1.00 0.00 C ATOM 822 O VAL A 54 0.411 0.718 1.144 1.00 0.00 O ATOM 823 CB VAL A 54 1.266 3.376 2.177 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.234 3.409 0.991 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.217 4.762 2.828 1.00 0.00 C ATOM 0 H VAL A 54 -0.926 1.740 3.230 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.566 3.825 1.131 1.00 0.00 H new ATOM 0 HB VAL A 54 1.607 2.641 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.229 3.682 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.271 2.425 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.892 4.144 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.213 5.035 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.875 5.495 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.529 4.743 3.673 1.00 0.00 H new ATOM 835 N ILE A 55 -0.462 1.945 -0.467 1.00 0.00 N ATOM 836 CA ILE A 55 -0.400 0.829 -1.454 1.00 0.00 C ATOM 837 C ILE A 55 0.711 1.133 -2.460 1.00 0.00 C ATOM 838 O ILE A 55 0.761 2.201 -3.041 1.00 0.00 O ATOM 839 CB ILE A 55 -1.742 0.714 -2.185 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.875 0.594 -1.158 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.730 -0.531 -3.077 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.229 0.678 -1.866 1.00 0.00 C ATOM 0 H ILE A 55 -0.850 2.816 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.194 -0.112 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.900 1.601 -2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.793 -0.351 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.792 1.389 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.684 -0.615 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.924 -0.448 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.573 -1.417 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.030 0.592 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.311 1.635 -2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.312 -0.133 -2.590 1.00 0.00 H new ATOM 854 N SER A 56 1.612 0.215 -2.665 1.00 0.00 N ATOM 855 CA SER A 56 2.721 0.471 -3.624 1.00 0.00 C ATOM 856 C SER A 56 3.159 -0.841 -4.274 1.00 0.00 C ATOM 857 O SER A 56 3.135 -1.888 -3.660 1.00 0.00 O ATOM 858 CB SER A 56 3.903 1.079 -2.872 1.00 0.00 C ATOM 859 OG SER A 56 4.160 0.308 -1.705 1.00 0.00 O ATOM 0 H SER A 56 1.629 -0.699 -2.212 1.00 0.00 H new ATOM 0 HA SER A 56 2.378 1.158 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.785 1.098 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.684 2.111 -2.600 1.00 0.00 H new ATOM 0 HG SER A 56 4.497 -0.575 -1.964 1.00 0.00 H new ATOM 865 N ASP A 57 3.572 -0.791 -5.509 1.00 0.00 N ATOM 866 CA ASP A 57 4.023 -2.035 -6.188 1.00 0.00 C ATOM 867 C ASP A 57 5.368 -2.461 -5.595 1.00 0.00 C ATOM 868 O ASP A 57 6.041 -1.686 -4.943 1.00 0.00 O ATOM 869 CB ASP A 57 4.187 -1.769 -7.687 1.00 0.00 C ATOM 870 CG ASP A 57 2.925 -2.217 -8.426 1.00 0.00 C ATOM 871 OD1 ASP A 57 1.869 -2.207 -7.815 1.00 0.00 O ATOM 872 OD2 ASP A 57 3.035 -2.560 -9.591 1.00 0.00 O ATOM 0 H ASP A 57 3.616 0.056 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 57 3.286 -2.825 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.366 -0.708 -7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.055 -2.306 -8.070 1.00 0.00 H new ATOM 877 N TRP A 58 5.768 -3.682 -5.811 1.00 0.00 N ATOM 878 CA TRP A 58 7.070 -4.148 -5.254 1.00 0.00 C ATOM 879 C TRP A 58 8.155 -3.116 -5.560 1.00 0.00 C ATOM 880 O TRP A 58 8.699 -2.496 -4.668 1.00 0.00 O ATOM 881 CB TRP A 58 7.437 -5.492 -5.889 1.00 0.00 C ATOM 882 CG TRP A 58 8.619 -6.091 -5.191 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.815 -6.340 -5.773 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.741 -6.529 -3.803 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.663 -6.902 -4.835 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.048 -7.038 -3.607 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.859 -6.534 -2.706 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.463 -7.536 -2.371 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.274 -7.034 -1.461 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.573 -7.533 -1.294 1.00 0.00 C ATOM 0 H TRP A 58 5.251 -4.378 -6.349 1.00 0.00 H new ATOM 0 HA TRP A 58 6.987 -4.268 -4.174 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.588 -6.173 -5.831 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.662 -5.353 -6.946 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.067 -6.134 -6.803 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.625 -7.182 -5.028 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.856 -6.151 -2.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.465 -7.921 -2.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.588 -7.034 -0.627 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.886 -7.915 -0.333 1.00 0.00 H new ATOM 901 N ASN A 59 8.479 -2.921 -6.809 1.00 0.00 N ATOM 902 CA ASN A 59 9.533 -1.925 -7.149 1.00 0.00 C ATOM 903 C ASN A 59 9.611 -1.742 -8.665 1.00 0.00 C ATOM 904 O ASN A 59 9.003 -2.471 -9.420 1.00 0.00 O ATOM 905 CB ASN A 59 10.889 -2.417 -6.634 1.00 0.00 C ATOM 906 CG ASN A 59 11.621 -3.161 -7.753 1.00 0.00 C ATOM 907 OD1 ASN A 59 10.973 -4.040 -8.471 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 12.794 -2.941 -7.979 1.00 0.00 N flip ATOM 0 H ASN A 59 8.062 -3.405 -7.604 1.00 0.00 H new ATOM 0 HA ASN A 59 9.283 -0.973 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.488 -1.573 -6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.747 -3.076 -5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.301 -2.255 -7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.272 -3.442 -8.728 1.00 0.00 H new ATOM 915 N MET A 60 10.376 -0.780 -9.107 1.00 0.00 N ATOM 916 CA MET A 60 10.538 -0.532 -10.570 1.00 0.00 C ATOM 917 C MET A 60 11.455 0.683 -10.786 1.00 0.00 C ATOM 918 O MET A 60 12.352 0.618 -11.603 1.00 0.00 O ATOM 919 CB MET A 60 9.181 -0.283 -11.259 1.00 0.00 C ATOM 920 CG MET A 60 9.069 -1.154 -12.517 1.00 0.00 C ATOM 921 SD MET A 60 8.752 -2.875 -12.055 1.00 0.00 S ATOM 922 CE MET A 60 6.951 -2.747 -11.930 1.00 0.00 C ATOM 0 H MET A 60 10.904 -0.146 -8.507 1.00 0.00 H new ATOM 0 HA MET A 60 10.982 -1.422 -11.015 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.366 -0.514 -10.572 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.086 0.770 -11.525 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.264 -0.786 -13.153 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.989 -1.089 -13.097 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.586 -3.457 -11.187 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.678 -1.735 -11.630 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.502 -2.972 -12.898 1.00 0.00 H new ATOM 932 N PRO A 61 11.224 1.768 -10.062 1.00 0.00 N ATOM 933 CA PRO A 61 12.056 2.975 -10.215 1.00 0.00 C ATOM 934 C PRO A 61 13.445 2.719 -9.618 1.00 0.00 C ATOM 935 O PRO A 61 13.665 2.910 -8.438 1.00 0.00 O ATOM 936 CB PRO A 61 11.325 4.066 -9.414 1.00 0.00 C ATOM 937 CG PRO A 61 10.070 3.416 -8.783 1.00 0.00 C ATOM 938 CD PRO A 61 10.140 1.906 -9.059 1.00 0.00 C ATOM 0 HA PRO A 61 12.194 3.260 -11.258 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.975 4.475 -8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.042 4.894 -10.064 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.038 3.608 -7.711 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.162 3.842 -9.211 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.364 1.345 -8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.193 1.527 -9.442 1.00 0.00 H new ATOM 946 N ASN A 62 14.383 2.289 -10.423 1.00 0.00 N ATOM 947 CA ASN A 62 15.759 2.020 -9.904 1.00 0.00 C ATOM 948 C ASN A 62 15.674 1.311 -8.544 1.00 0.00 C ATOM 949 O ASN A 62 15.603 1.942 -7.507 1.00 0.00 O ATOM 950 CB ASN A 62 16.520 3.348 -9.758 1.00 0.00 C ATOM 951 CG ASN A 62 15.612 4.516 -10.153 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.678 5.000 -11.266 1.00 0.00 O ATOM 953 ND2 ASN A 62 14.761 4.993 -9.284 1.00 0.00 N ATOM 0 H ASN A 62 14.255 2.112 -11.419 1.00 0.00 H new ATOM 0 HA ASN A 62 16.291 1.376 -10.604 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.859 3.472 -8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.409 3.338 -10.388 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.153 5.771 -9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.705 4.588 -8.350 1.00 0.00 H new ATOM 960 N MET A 63 15.673 0.005 -8.538 1.00 0.00 N ATOM 961 CA MET A 63 15.584 -0.733 -7.244 1.00 0.00 C ATOM 962 C MET A 63 14.454 -0.131 -6.401 1.00 0.00 C ATOM 963 O MET A 63 13.301 -0.170 -6.779 1.00 0.00 O ATOM 964 CB MET A 63 16.917 -0.607 -6.496 1.00 0.00 C ATOM 965 CG MET A 63 16.927 -1.545 -5.284 1.00 0.00 C ATOM 966 SD MET A 63 17.649 -3.135 -5.758 1.00 0.00 S ATOM 967 CE MET A 63 19.385 -2.657 -5.586 1.00 0.00 C ATOM 0 H MET A 63 15.730 -0.582 -9.370 1.00 0.00 H new ATOM 0 HA MET A 63 15.376 -1.787 -7.429 1.00 0.00 H new ATOM 0 HB2 MET A 63 17.743 -0.853 -7.164 1.00 0.00 H new ATOM 0 HB3 MET A 63 17.065 0.423 -6.171 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.501 -1.100 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 63 15.912 -1.690 -4.915 1.00 0.00 H new ATOM 0 HE1 MET A 63 19.970 -3.121 -6.380 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.473 -1.573 -5.656 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.760 -2.989 -4.618 1.00 0.00 H new ATOM 977 N ASP A 64 14.775 0.434 -5.267 1.00 0.00 N ATOM 978 CA ASP A 64 13.721 1.047 -4.404 1.00 0.00 C ATOM 979 C ASP A 64 12.652 0.005 -4.061 1.00 0.00 C ATOM 980 O ASP A 64 12.774 -1.157 -4.395 1.00 0.00 O ATOM 981 CB ASP A 64 13.071 2.227 -5.138 1.00 0.00 C ATOM 982 CG ASP A 64 13.715 3.534 -4.673 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.780 3.746 -3.474 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.132 4.301 -5.525 1.00 0.00 O ATOM 0 H ASP A 64 15.724 0.498 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 64 14.182 1.403 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.194 2.112 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.999 2.247 -4.940 1.00 0.00 H new ATOM 989 N GLY A 65 11.608 0.414 -3.388 1.00 0.00 N ATOM 990 CA GLY A 65 10.530 -0.551 -3.012 1.00 0.00 C ATOM 991 C GLY A 65 10.795 -1.076 -1.599 1.00 0.00 C ATOM 992 O GLY A 65 10.115 -0.717 -0.657 1.00 0.00 O ATOM 0 H GLY A 65 11.455 1.375 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.557 -0.062 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.502 -1.378 -3.721 1.00 0.00 H new ATOM 996 N LEU A 66 11.785 -1.909 -1.434 1.00 0.00 N ATOM 997 CA LEU A 66 12.089 -2.425 -0.070 1.00 0.00 C ATOM 998 C LEU A 66 12.644 -1.269 0.754 1.00 0.00 C ATOM 999 O LEU A 66 12.223 -1.020 1.866 1.00 0.00 O ATOM 1000 CB LEU A 66 13.136 -3.542 -0.154 1.00 0.00 C ATOM 1001 CG LEU A 66 12.700 -4.741 0.698 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.406 -4.288 2.132 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.440 -5.369 0.095 1.00 0.00 C ATOM 0 H LEU A 66 12.392 -2.253 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 66 11.187 -2.828 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.266 -3.851 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.101 -3.172 0.192 1.00 0.00 H new ATOM 0 HG LEU A 66 13.505 -5.476 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.097 -5.146 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.304 -3.848 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.607 -3.546 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.132 -6.221 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.639 -4.630 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.651 -5.704 -0.920 1.00 0.00 H new ATOM 1015 N GLU A 67 13.577 -0.547 0.198 1.00 0.00 N ATOM 1016 CA GLU A 67 14.153 0.610 0.922 1.00 0.00 C ATOM 1017 C GLU A 67 13.052 1.655 1.096 1.00 0.00 C ATOM 1018 O GLU A 67 13.098 2.486 1.980 1.00 0.00 O ATOM 1019 CB GLU A 67 15.299 1.197 0.096 1.00 0.00 C ATOM 1020 CG GLU A 67 16.446 0.185 0.005 1.00 0.00 C ATOM 1021 CD GLU A 67 15.992 -1.038 -0.794 1.00 0.00 C ATOM 1022 OE1 GLU A 67 15.480 -0.851 -1.885 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.159 -2.140 -0.299 1.00 0.00 O ATOM 0 H GLU A 67 13.964 -0.713 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 67 14.536 0.305 1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.946 1.451 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.653 2.121 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.311 0.644 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.758 -0.117 1.005 1.00 0.00 H new ATOM 1030 N LEU A 68 12.049 1.601 0.258 1.00 0.00 N ATOM 1031 CA LEU A 68 10.924 2.571 0.366 1.00 0.00 C ATOM 1032 C LEU A 68 10.213 2.326 1.696 1.00 0.00 C ATOM 1033 O LEU A 68 10.058 3.212 2.510 1.00 0.00 O ATOM 1034 CB LEU A 68 9.927 2.326 -0.789 1.00 0.00 C ATOM 1035 CG LEU A 68 9.777 3.554 -1.707 1.00 0.00 C ATOM 1036 CD1 LEU A 68 10.575 3.322 -2.990 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.298 3.744 -2.072 1.00 0.00 C ATOM 0 H LEU A 68 11.963 0.923 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 68 11.298 3.593 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.262 1.473 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.953 2.064 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 68 10.146 4.440 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.473 4.188 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.627 3.176 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.196 2.436 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.192 4.613 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.934 2.857 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.716 3.897 -1.163 1.00 0.00 H new ATOM 1049 N LEU A 69 9.792 1.113 1.912 1.00 0.00 N ATOM 1050 CA LEU A 69 9.092 0.760 3.178 1.00 0.00 C ATOM 1051 C LEU A 69 9.995 1.074 4.372 1.00 0.00 C ATOM 1052 O LEU A 69 9.708 1.946 5.165 1.00 0.00 O ATOM 1053 CB LEU A 69 8.798 -0.733 3.159 1.00 0.00 C ATOM 1054 CG LEU A 69 7.300 -0.990 2.955 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.075 -2.464 2.629 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.519 -0.665 4.228 1.00 0.00 C ATOM 0 H LEU A 69 9.904 0.340 1.256 1.00 0.00 H new ATOM 0 HA LEU A 69 8.169 1.333 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.366 -1.210 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.125 -1.185 4.096 1.00 0.00 H new ATOM 0 HG LEU A 69 6.955 -0.355 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.010 -2.646 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.615 -2.722 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.439 -3.078 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.458 -0.854 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.876 -1.293 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.665 0.384 4.486 1.00 0.00 H new ATOM 1068 N LYS A 70 11.079 0.351 4.502 1.00 0.00 N ATOM 1069 CA LYS A 70 12.023 0.573 5.642 1.00 0.00 C ATOM 1070 C LYS A 70 12.136 2.069 5.957 1.00 0.00 C ATOM 1071 O LYS A 70 12.065 2.477 7.099 1.00 0.00 O ATOM 1072 CB LYS A 70 13.405 0.031 5.267 1.00 0.00 C ATOM 1073 CG LYS A 70 14.002 -0.734 6.453 1.00 0.00 C ATOM 1074 CD LYS A 70 14.154 0.207 7.651 1.00 0.00 C ATOM 1075 CE LYS A 70 15.317 -0.265 8.526 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.145 -1.712 8.840 1.00 0.00 N ATOM 0 H LYS A 70 11.354 -0.392 3.860 1.00 0.00 H new ATOM 0 HA LYS A 70 11.644 0.053 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.325 -0.627 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.063 0.852 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.359 -1.574 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.972 -1.149 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.334 1.225 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.232 0.225 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.264 -0.104 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.353 0.317 9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.724 -1.959 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.144 -1.906 9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.447 -2.282 8.024 1.00 0.00 H new ATOM 1090 N THR A 71 12.304 2.890 4.959 1.00 0.00 N ATOM 1091 CA THR A 71 12.413 4.355 5.213 1.00 0.00 C ATOM 1092 C THR A 71 11.156 4.832 5.944 1.00 0.00 C ATOM 1093 O THR A 71 11.223 5.620 6.867 1.00 0.00 O ATOM 1094 CB THR A 71 12.545 5.096 3.880 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.586 4.506 3.115 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.872 6.569 4.137 1.00 0.00 C ATOM 0 H THR A 71 12.371 2.612 3.980 1.00 0.00 H new ATOM 0 HA THR A 71 13.291 4.558 5.825 1.00 0.00 H new ATOM 0 HB THR A 71 11.604 5.027 3.333 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.197 3.948 2.409 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.965 7.092 3.185 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.073 7.022 4.724 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.811 6.643 4.685 1.00 0.00 H new ATOM 1104 N ILE A 72 10.008 4.359 5.540 1.00 0.00 N ATOM 1105 CA ILE A 72 8.747 4.782 6.211 1.00 0.00 C ATOM 1106 C ILE A 72 8.797 4.376 7.685 1.00 0.00 C ATOM 1107 O ILE A 72 8.217 5.020 8.537 1.00 0.00 O ATOM 1108 CB ILE A 72 7.558 4.095 5.533 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.505 4.519 4.056 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.263 4.512 6.233 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.660 3.536 3.228 1.00 0.00 C ATOM 0 H ILE A 72 9.890 3.697 4.773 1.00 0.00 H new ATOM 0 HA ILE A 72 8.636 5.864 6.135 1.00 0.00 H new ATOM 0 HB ILE A 72 7.671 3.013 5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.084 5.521 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.516 4.565 3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.416 4.024 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.305 4.216 7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.145 5.593 6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.640 3.860 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.097 2.539 3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.643 3.511 3.620 1.00 0.00 H new ATOM 1123 N ARG A 73 9.486 3.310 7.993 1.00 0.00 N ATOM 1124 CA ARG A 73 9.573 2.860 9.411 1.00 0.00 C ATOM 1125 C ARG A 73 10.561 3.747 10.171 1.00 0.00 C ATOM 1126 O ARG A 73 10.230 4.339 11.179 1.00 0.00 O ATOM 1127 CB ARG A 73 10.054 1.408 9.456 1.00 0.00 C ATOM 1128 CG ARG A 73 9.507 0.729 10.713 1.00 0.00 C ATOM 1129 CD ARG A 73 10.186 -0.629 10.896 1.00 0.00 C ATOM 1130 NE ARG A 73 9.150 -1.674 11.130 1.00 0.00 N ATOM 1131 CZ ARG A 73 9.422 -2.705 11.880 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.549 -3.345 11.727 1.00 0.00 N ATOM 1133 NH2 ARG A 73 8.566 -3.098 12.784 1.00 0.00 N ATOM 0 H ARG A 73 9.992 2.731 7.323 1.00 0.00 H new ATOM 0 HA ARG A 73 8.589 2.933 9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.719 0.875 8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.143 1.374 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.686 1.357 11.586 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.428 0.600 10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.774 -0.876 10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.877 -0.592 11.738 1.00 0.00 H new ATOM 0 HE ARG A 73 8.228 -1.583 10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.218 -3.039 11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.761 -4.152 12.314 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.685 -2.598 12.903 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.778 -3.905 13.371 1.00 0.00 H new ATOM 1147 N ALA A 74 11.773 3.843 9.698 1.00 0.00 N ATOM 1148 CA ALA A 74 12.779 4.692 10.398 1.00 0.00 C ATOM 1149 C ALA A 74 12.174 6.067 10.679 1.00 0.00 C ATOM 1150 O ALA A 74 12.542 6.738 11.623 1.00 0.00 O ATOM 1151 CB ALA A 74 14.017 4.851 9.513 1.00 0.00 C ATOM 0 H ALA A 74 12.110 3.371 8.859 1.00 0.00 H new ATOM 0 HA ALA A 74 13.064 4.220 11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.753 5.472 10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.448 3.870 9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.734 5.324 8.573 1.00 0.00 H new ATOM 1157 N ASP A 75 11.247 6.493 9.865 1.00 0.00 N ATOM 1158 CA ASP A 75 10.616 7.825 10.084 1.00 0.00 C ATOM 1159 C ASP A 75 9.828 7.805 11.394 1.00 0.00 C ATOM 1160 O ASP A 75 9.110 6.868 11.684 1.00 0.00 O ATOM 1161 CB ASP A 75 9.672 8.136 8.920 1.00 0.00 C ATOM 1162 CG ASP A 75 10.294 9.217 8.034 1.00 0.00 C ATOM 1163 OD1 ASP A 75 11.466 9.096 7.718 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.587 10.148 7.686 1.00 0.00 O ATOM 0 H ASP A 75 10.899 5.976 9.058 1.00 0.00 H new ATOM 0 HA ASP A 75 11.388 8.592 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.488 7.234 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.707 8.473 9.300 1.00 0.00 H new ATOM 1169 N GLY A 76 9.955 8.832 12.191 1.00 0.00 N ATOM 1170 CA GLY A 76 9.214 8.868 13.485 1.00 0.00 C ATOM 1171 C GLY A 76 7.822 9.463 13.268 1.00 0.00 C ATOM 1172 O GLY A 76 7.567 10.127 12.284 1.00 0.00 O ATOM 0 H GLY A 76 10.539 9.647 12.002 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.130 7.861 13.894 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.765 9.463 14.214 1.00 0.00 H new ATOM 1176 N ALA A 77 6.920 9.228 14.185 1.00 0.00 N ATOM 1177 CA ALA A 77 5.539 9.776 14.046 1.00 0.00 C ATOM 1178 C ALA A 77 4.757 8.950 13.020 1.00 0.00 C ATOM 1179 O ALA A 77 3.566 9.127 12.853 1.00 0.00 O ATOM 1180 CB ALA A 77 5.604 11.235 13.588 1.00 0.00 C ATOM 0 H ALA A 77 7.082 8.677 15.028 1.00 0.00 H new ATOM 0 HA ALA A 77 5.035 9.724 15.011 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.593 11.630 13.488 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.153 11.823 14.324 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.113 11.292 12.626 1.00 0.00 H new ATOM 1186 N MET A 78 5.418 8.050 12.338 1.00 0.00 N ATOM 1187 CA MET A 78 4.722 7.203 11.321 1.00 0.00 C ATOM 1188 C MET A 78 4.636 5.763 11.830 1.00 0.00 C ATOM 1189 O MET A 78 3.835 4.976 11.366 1.00 0.00 O ATOM 1190 CB MET A 78 5.510 7.230 10.010 1.00 0.00 C ATOM 1191 CG MET A 78 5.976 8.659 9.726 1.00 0.00 C ATOM 1192 SD MET A 78 4.572 9.793 9.868 1.00 0.00 S ATOM 1193 CE MET A 78 3.982 9.639 8.164 1.00 0.00 C ATOM 0 H MET A 78 6.415 7.864 12.442 1.00 0.00 H new ATOM 0 HA MET A 78 3.718 7.591 11.152 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.369 6.562 10.075 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.887 6.869 9.191 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.759 8.944 10.429 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.407 8.720 8.727 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.103 10.268 8.025 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.767 9.956 7.477 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.721 8.600 7.962 1.00 0.00 H new ATOM 1203 N SER A 79 5.454 5.413 12.784 1.00 0.00 N ATOM 1204 CA SER A 79 5.420 4.025 13.326 1.00 0.00 C ATOM 1205 C SER A 79 5.515 3.017 12.178 1.00 0.00 C ATOM 1206 O SER A 79 6.549 2.859 11.561 1.00 0.00 O ATOM 1207 CB SER A 79 4.112 3.808 14.088 1.00 0.00 C ATOM 1208 OG SER A 79 4.197 4.441 15.357 1.00 0.00 O ATOM 0 H SER A 79 6.145 6.029 13.212 1.00 0.00 H new ATOM 0 HA SER A 79 6.264 3.882 14.000 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.275 4.216 13.521 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.923 2.742 14.213 1.00 0.00 H new ATOM 0 HG SER A 79 3.359 4.305 15.847 1.00 0.00 H new ATOM 1214 N ALA A 80 4.441 2.334 11.889 1.00 0.00 N ATOM 1215 CA ALA A 80 4.463 1.336 10.785 1.00 0.00 C ATOM 1216 C ALA A 80 3.068 1.244 10.168 1.00 0.00 C ATOM 1217 O ALA A 80 2.475 0.185 10.108 1.00 0.00 O ATOM 1218 CB ALA A 80 4.868 -0.031 11.338 1.00 0.00 C ATOM 0 H ALA A 80 3.547 2.425 12.372 1.00 0.00 H new ATOM 0 HA ALA A 80 5.182 1.644 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.884 -0.761 10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.860 0.037 11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.149 -0.345 12.095 1.00 0.00 H new ATOM 1224 N LEU A 81 2.541 2.352 9.719 1.00 0.00 N ATOM 1225 CA LEU A 81 1.181 2.354 9.111 1.00 0.00 C ATOM 1226 C LEU A 81 1.037 1.133 8.175 1.00 0.00 C ATOM 1227 O LEU A 81 2.017 0.706 7.597 1.00 0.00 O ATOM 1228 CB LEU A 81 1.013 3.648 8.306 1.00 0.00 C ATOM 1229 CG LEU A 81 1.276 4.857 9.211 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.127 6.146 8.401 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.271 4.867 10.367 1.00 0.00 C ATOM 0 H LEU A 81 2.999 3.263 9.748 1.00 0.00 H new ATOM 0 HA LEU A 81 0.418 2.298 9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.704 3.656 7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.006 3.703 7.893 1.00 0.00 H new ATOM 0 HG LEU A 81 2.288 4.791 9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.314 7.005 9.046 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.844 6.145 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.116 6.208 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.462 5.728 11.008 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.742 4.929 9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.377 3.951 10.949 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.163 0.589 8.044 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.387 -0.586 7.176 1.00 0.00 C ATOM 1245 C PRO A 82 0.040 -0.316 5.734 1.00 0.00 C ATOM 1246 O PRO A 82 -0.162 0.758 5.199 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.897 -0.835 7.216 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.528 0.230 8.144 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.385 1.074 8.730 1.00 0.00 C ATOM 0 HA PRO A 82 0.198 -1.438 7.524 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.322 -0.769 6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.109 -1.838 7.586 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.222 0.860 7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.099 -0.247 8.941 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.545 2.137 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.310 0.943 9.810 1.00 0.00 H new ATOM 1257 N VAL A 83 0.587 -1.315 5.095 1.00 0.00 N ATOM 1258 CA VAL A 83 0.991 -1.173 3.671 1.00 0.00 C ATOM 1259 C VAL A 83 0.515 -2.394 2.924 1.00 0.00 C ATOM 1260 O VAL A 83 0.929 -3.499 3.221 1.00 0.00 O ATOM 1261 CB VAL A 83 2.510 -1.107 3.526 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.913 -1.602 2.122 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.964 0.339 3.692 1.00 0.00 C ATOM 0 H VAL A 83 0.772 -2.231 5.505 1.00 0.00 H new ATOM 0 HA VAL A 83 0.556 -0.254 3.279 1.00 0.00 H new ATOM 0 HB VAL A 83 2.978 -1.734 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.997 -1.555 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.579 -2.631 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.448 -0.970 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.048 0.394 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.495 0.958 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.674 0.700 4.679 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.315 -2.216 1.943 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.769 -3.390 1.169 1.00 0.00 C ATOM 1275 C LEU A 84 -0.035 -3.405 -0.162 1.00 0.00 C ATOM 1276 O LEU A 84 -0.579 -3.071 -1.196 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.281 -3.333 0.955 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.756 -4.576 0.197 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.457 -5.838 1.012 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.262 -4.470 -0.034 1.00 0.00 C ATOM 0 H LEU A 84 -0.695 -1.317 1.647 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.547 -4.306 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.789 -3.269 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.543 -2.435 0.395 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.232 -4.638 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.799 -6.715 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.383 -5.914 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.975 -5.784 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.610 -5.351 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.774 -4.407 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.478 -3.577 -0.620 1.00 0.00 H new ATOM 1292 N MET A 85 1.212 -3.787 -0.139 1.00 0.00 N ATOM 1293 CA MET A 85 1.992 -3.825 -1.396 1.00 0.00 C ATOM 1294 C MET A 85 1.174 -4.561 -2.450 1.00 0.00 C ATOM 1295 O MET A 85 0.155 -5.153 -2.151 1.00 0.00 O ATOM 1296 CB MET A 85 3.319 -4.551 -1.158 1.00 0.00 C ATOM 1297 CG MET A 85 4.388 -3.542 -0.731 1.00 0.00 C ATOM 1298 SD MET A 85 5.193 -2.857 -2.200 1.00 0.00 S ATOM 1299 CE MET A 85 6.898 -3.011 -1.614 1.00 0.00 C ATOM 0 H MET A 85 1.720 -4.073 0.698 1.00 0.00 H new ATOM 0 HA MET A 85 2.207 -2.812 -1.737 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.195 -5.312 -0.388 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.632 -5.065 -2.067 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.935 -2.742 -0.145 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.126 -4.027 -0.092 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.582 -2.672 -2.392 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.032 -2.400 -0.721 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.108 -4.054 -1.375 1.00 0.00 H new ATOM 1309 N VAL A 86 1.596 -4.515 -3.679 1.00 0.00 N ATOM 1310 CA VAL A 86 0.825 -5.195 -4.750 1.00 0.00 C ATOM 1311 C VAL A 86 1.790 -5.780 -5.780 1.00 0.00 C ATOM 1312 O VAL A 86 2.594 -5.075 -6.355 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.091 -4.162 -5.409 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.003 -4.849 -6.419 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.942 -3.487 -4.328 1.00 0.00 C ATOM 0 H VAL A 86 2.442 -4.036 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 86 0.228 -6.007 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 86 0.513 -3.416 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.653 -4.108 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.398 -5.334 -7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.611 -5.597 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.598 -2.749 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.544 -4.238 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.290 -2.993 -3.608 1.00 0.00 H new ATOM 1325 N THR A 87 1.721 -7.069 -6.010 1.00 0.00 N ATOM 1326 CA THR A 87 2.647 -7.695 -6.999 1.00 0.00 C ATOM 1327 C THR A 87 1.895 -8.751 -7.809 1.00 0.00 C ATOM 1328 O THR A 87 0.685 -8.841 -7.755 1.00 0.00 O ATOM 1329 CB THR A 87 3.812 -8.354 -6.257 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.656 -9.014 -7.191 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.269 -9.370 -5.251 1.00 0.00 C ATOM 0 H THR A 87 1.068 -7.709 -5.558 1.00 0.00 H new ATOM 0 HA THR A 87 3.030 -6.929 -7.673 1.00 0.00 H new ATOM 0 HB THR A 87 4.383 -7.591 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.901 -8.391 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.099 -9.839 -4.723 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.623 -8.863 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.697 -10.134 -5.778 1.00 0.00 H new ATOM 1339 N ALA A 88 2.606 -9.544 -8.563 1.00 0.00 N ATOM 1340 CA ALA A 88 1.943 -10.596 -9.382 1.00 0.00 C ATOM 1341 C ALA A 88 2.796 -11.866 -9.360 1.00 0.00 C ATOM 1342 O ALA A 88 2.629 -12.748 -10.181 1.00 0.00 O ATOM 1343 CB ALA A 88 1.801 -10.101 -10.824 1.00 0.00 C ATOM 0 H ALA A 88 3.622 -9.508 -8.647 1.00 0.00 H new ATOM 0 HA ALA A 88 0.956 -10.813 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.316 -10.869 -11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.198 -9.193 -10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.788 -9.888 -11.234 1.00 0.00 H new ATOM 1349 N GLU A 89 3.714 -11.963 -8.431 1.00 0.00 N ATOM 1350 CA GLU A 89 4.587 -13.173 -8.356 1.00 0.00 C ATOM 1351 C GLU A 89 4.772 -13.598 -6.896 1.00 0.00 C ATOM 1352 O GLU A 89 4.401 -14.688 -6.508 1.00 0.00 O ATOM 1353 CB GLU A 89 5.959 -12.860 -8.967 1.00 0.00 C ATOM 1354 CG GLU A 89 6.243 -11.356 -8.876 1.00 0.00 C ATOM 1355 CD GLU A 89 5.603 -10.628 -10.064 1.00 0.00 C ATOM 1356 OE1 GLU A 89 4.885 -11.269 -10.814 1.00 0.00 O ATOM 1357 OE2 GLU A 89 5.843 -9.440 -10.201 1.00 0.00 O ATOM 0 H GLU A 89 3.896 -11.255 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 89 4.113 -13.983 -8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.735 -13.417 -8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.984 -13.181 -10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.849 -10.959 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.319 -11.181 -8.868 1.00 0.00 H new ATOM 1364 N ALA A 90 5.351 -12.754 -6.083 1.00 0.00 N ATOM 1365 CA ALA A 90 5.567 -13.124 -4.653 1.00 0.00 C ATOM 1366 C ALA A 90 6.331 -14.451 -4.589 1.00 0.00 C ATOM 1367 O ALA A 90 5.760 -15.514 -4.731 1.00 0.00 O ATOM 1368 CB ALA A 90 4.216 -13.272 -3.946 1.00 0.00 C ATOM 0 H ALA A 90 5.683 -11.826 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 90 6.144 -12.344 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.379 -13.542 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.674 -12.328 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.633 -14.052 -4.436 1.00 0.00 H new ATOM 1374 N LYS A 91 7.622 -14.396 -4.389 1.00 0.00 N ATOM 1375 CA LYS A 91 8.423 -15.651 -4.329 1.00 0.00 C ATOM 1376 C LYS A 91 8.518 -16.143 -2.879 1.00 0.00 C ATOM 1377 O LYS A 91 9.492 -16.748 -2.481 1.00 0.00 O ATOM 1378 CB LYS A 91 9.826 -15.374 -4.881 1.00 0.00 C ATOM 1379 CG LYS A 91 9.826 -15.579 -6.398 1.00 0.00 C ATOM 1380 CD LYS A 91 10.061 -17.058 -6.716 1.00 0.00 C ATOM 1381 CE LYS A 91 11.562 -17.320 -6.862 1.00 0.00 C ATOM 1382 NZ LYS A 91 11.975 -17.067 -8.271 1.00 0.00 N ATOM 0 H LYS A 91 8.155 -13.535 -4.265 1.00 0.00 H new ATOM 0 HA LYS A 91 7.940 -16.423 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.128 -14.355 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.551 -16.040 -4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.875 -15.253 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.604 -14.970 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.648 -17.681 -5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.543 -17.329 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.122 -16.674 -6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.791 -18.349 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.995 -17.245 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.449 -17.701 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.770 -16.079 -8.521 1.00 0.00 H new ATOM 1396 N LYS A 92 7.504 -15.897 -2.093 1.00 0.00 N ATOM 1397 CA LYS A 92 7.520 -16.358 -0.671 1.00 0.00 C ATOM 1398 C LYS A 92 8.777 -15.845 0.040 1.00 0.00 C ATOM 1399 O LYS A 92 8.745 -14.848 0.733 1.00 0.00 O ATOM 1400 CB LYS A 92 7.500 -17.891 -0.625 1.00 0.00 C ATOM 1401 CG LYS A 92 6.247 -18.414 -1.333 1.00 0.00 C ATOM 1402 CD LYS A 92 6.543 -19.784 -1.948 1.00 0.00 C ATOM 1403 CE LYS A 92 6.991 -20.751 -0.851 1.00 0.00 C ATOM 1404 NZ LYS A 92 6.939 -22.147 -1.368 1.00 0.00 N ATOM 0 H LYS A 92 6.662 -15.395 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 92 6.639 -15.964 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.394 -18.290 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.514 -18.233 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.422 -18.492 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.936 -17.715 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.654 -20.170 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.320 -19.693 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.004 -20.509 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.346 -20.651 0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.244 -22.805 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.966 -22.375 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.572 -22.237 -2.189 1.00 0.00 H new ATOM 1418 N GLU A 93 9.879 -16.531 -0.115 1.00 0.00 N ATOM 1419 CA GLU A 93 11.141 -16.106 0.558 1.00 0.00 C ATOM 1420 C GLU A 93 11.321 -14.588 0.443 1.00 0.00 C ATOM 1421 O GLU A 93 11.984 -13.972 1.255 1.00 0.00 O ATOM 1422 CB GLU A 93 12.329 -16.810 -0.102 1.00 0.00 C ATOM 1423 CG GLU A 93 12.510 -16.289 -1.530 1.00 0.00 C ATOM 1424 CD GLU A 93 13.645 -15.264 -1.559 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.791 -15.681 -1.602 1.00 0.00 O ATOM 1426 OE2 GLU A 93 13.350 -14.081 -1.539 1.00 0.00 O ATOM 0 H GLU A 93 9.959 -17.374 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 93 11.088 -16.376 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.236 -16.634 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.164 -17.887 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.735 -17.115 -2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.585 -15.833 -1.882 1.00 0.00 H new ATOM 1433 N ASN A 94 10.747 -13.979 -0.557 1.00 0.00 N ATOM 1434 CA ASN A 94 10.899 -12.503 -0.716 1.00 0.00 C ATOM 1435 C ASN A 94 9.850 -11.778 0.131 1.00 0.00 C ATOM 1436 O ASN A 94 10.075 -10.686 0.614 1.00 0.00 O ATOM 1437 CB ASN A 94 10.711 -12.129 -2.187 1.00 0.00 C ATOM 1438 CG ASN A 94 11.395 -10.790 -2.466 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.876 -10.140 -1.559 1.00 0.00 O ATOM 1440 ND2 ASN A 94 11.459 -10.346 -3.692 1.00 0.00 N ATOM 0 H ASN A 94 10.180 -14.437 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 94 11.895 -12.207 -0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.132 -12.905 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.649 -12.063 -2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.913 -9.454 -3.888 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.055 -10.891 -4.454 1.00 0.00 H new ATOM 1447 N ILE A 95 8.703 -12.371 0.307 1.00 0.00 N ATOM 1448 CA ILE A 95 7.635 -11.715 1.113 1.00 0.00 C ATOM 1449 C ILE A 95 8.061 -11.628 2.582 1.00 0.00 C ATOM 1450 O ILE A 95 7.479 -10.901 3.362 1.00 0.00 O ATOM 1451 CB ILE A 95 6.347 -12.534 1.002 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.959 -12.668 -0.473 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.224 -11.828 1.765 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.814 -13.673 -0.618 1.00 0.00 C ATOM 0 H ILE A 95 8.458 -13.285 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 95 7.467 -10.707 0.734 1.00 0.00 H new ATOM 0 HB ILE A 95 6.506 -13.524 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.656 -11.698 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.819 -12.996 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.307 -12.412 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.502 -11.731 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.062 -10.838 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.541 -13.765 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.132 -14.644 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.952 -13.327 -0.049 1.00 0.00 H new ATOM 1466 N ILE A 96 9.067 -12.363 2.970 1.00 0.00 N ATOM 1467 CA ILE A 96 9.514 -12.314 4.393 1.00 0.00 C ATOM 1468 C ILE A 96 10.218 -10.985 4.671 1.00 0.00 C ATOM 1469 O ILE A 96 9.761 -10.181 5.459 1.00 0.00 O ATOM 1470 CB ILE A 96 10.478 -13.469 4.667 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.686 -14.771 4.815 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.249 -13.192 5.960 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.647 -15.960 4.800 1.00 0.00 C ATOM 0 H ILE A 96 9.597 -12.993 2.368 1.00 0.00 H new ATOM 0 HA ILE A 96 8.644 -12.403 5.044 1.00 0.00 H new ATOM 0 HB ILE A 96 11.179 -13.563 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.119 -14.760 5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.964 -14.864 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.937 -14.014 6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.813 -12.265 5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.548 -13.099 6.789 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.082 -16.886 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.194 -15.974 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.352 -15.869 5.627 1.00 0.00 H new ATOM 1485 N ALA A 97 11.330 -10.755 4.035 1.00 0.00 N ATOM 1486 CA ALA A 97 12.078 -9.484 4.261 1.00 0.00 C ATOM 1487 C ALA A 97 11.111 -8.298 4.233 1.00 0.00 C ATOM 1488 O ALA A 97 11.316 -7.303 4.900 1.00 0.00 O ATOM 1489 CB ALA A 97 13.126 -9.309 3.161 1.00 0.00 C ATOM 0 H ALA A 97 11.757 -11.394 3.365 1.00 0.00 H new ATOM 0 HA ALA A 97 12.568 -9.525 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.674 -8.381 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.821 -10.149 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.632 -9.273 2.190 1.00 0.00 H new ATOM 1495 N ALA A 98 10.063 -8.391 3.465 1.00 0.00 N ATOM 1496 CA ALA A 98 9.092 -7.264 3.397 1.00 0.00 C ATOM 1497 C ALA A 98 8.339 -7.150 4.723 1.00 0.00 C ATOM 1498 O ALA A 98 8.307 -6.105 5.340 1.00 0.00 O ATOM 1499 CB ALA A 98 8.095 -7.516 2.265 1.00 0.00 C ATOM 0 H ALA A 98 9.836 -9.197 2.882 1.00 0.00 H new ATOM 0 HA ALA A 98 9.631 -6.336 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.384 -6.691 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.630 -7.591 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.559 -8.446 2.453 1.00 0.00 H new ATOM 1505 N ALA A 99 7.719 -8.212 5.159 1.00 0.00 N ATOM 1506 CA ALA A 99 6.957 -8.158 6.436 1.00 0.00 C ATOM 1507 C ALA A 99 7.832 -7.576 7.548 1.00 0.00 C ATOM 1508 O ALA A 99 7.389 -6.766 8.338 1.00 0.00 O ATOM 1509 CB ALA A 99 6.511 -9.569 6.824 1.00 0.00 C ATOM 0 H ALA A 99 7.708 -9.115 4.685 1.00 0.00 H new ATOM 0 HA ALA A 99 6.083 -7.520 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.953 -9.530 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.875 -9.978 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.387 -10.206 6.951 1.00 0.00 H new ATOM 1515 N GLN A 100 9.071 -7.978 7.620 1.00 0.00 N ATOM 1516 CA GLN A 100 9.963 -7.443 8.686 1.00 0.00 C ATOM 1517 C GLN A 100 9.896 -5.917 8.670 1.00 0.00 C ATOM 1518 O GLN A 100 10.111 -5.262 9.670 1.00 0.00 O ATOM 1519 CB GLN A 100 11.402 -7.896 8.424 1.00 0.00 C ATOM 1520 CG GLN A 100 12.321 -7.337 9.512 1.00 0.00 C ATOM 1521 CD GLN A 100 13.357 -8.395 9.898 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.776 -8.465 11.036 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.789 -9.227 8.991 1.00 0.00 N ATOM 0 H GLN A 100 9.503 -8.652 6.988 1.00 0.00 H new ATOM 0 HA GLN A 100 9.641 -7.816 9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.455 -8.985 8.413 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.730 -7.551 7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.821 -6.437 9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.736 -7.050 10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.437 -9.168 8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.479 -9.937 9.237 1.00 0.00 H new ATOM 1532 N ALA A 101 9.596 -5.349 7.536 1.00 0.00 N ATOM 1533 CA ALA A 101 9.510 -3.862 7.442 1.00 0.00 C ATOM 1534 C ALA A 101 8.089 -3.410 7.798 1.00 0.00 C ATOM 1535 O ALA A 101 7.650 -3.557 8.922 1.00 0.00 O ATOM 1536 CB ALA A 101 9.849 -3.428 6.013 1.00 0.00 C ATOM 0 H ALA A 101 9.406 -5.850 6.668 1.00 0.00 H new ATOM 0 HA ALA A 101 10.216 -3.407 8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.788 -2.342 5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.859 -3.752 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.141 -3.880 5.318 1.00 0.00 H new ATOM 1542 N GLY A 102 7.370 -2.873 6.844 1.00 0.00 N ATOM 1543 CA GLY A 102 5.976 -2.417 7.094 1.00 0.00 C ATOM 1544 C GLY A 102 5.062 -3.038 6.038 1.00 0.00 C ATOM 1545 O GLY A 102 3.863 -2.856 6.049 1.00 0.00 O ATOM 0 H GLY A 102 7.699 -2.731 5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.655 -2.712 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.920 -1.329 7.050 1.00 0.00 H new ATOM 1549 N ALA A 103 5.643 -3.794 5.143 1.00 0.00 N ATOM 1550 CA ALA A 103 4.882 -4.493 4.057 1.00 0.00 C ATOM 1551 C ALA A 103 3.786 -5.387 4.648 1.00 0.00 C ATOM 1552 O ALA A 103 3.234 -6.227 3.966 1.00 0.00 O ATOM 1553 CB ALA A 103 5.845 -5.335 3.225 1.00 0.00 C ATOM 0 H ALA A 103 6.649 -3.963 5.118 1.00 0.00 H new ATOM 0 HA ALA A 103 4.407 -3.743 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.293 -5.844 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.602 -4.689 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.328 -6.074 3.864 1.00 0.00 H new ATOM 1559 N SER A 104 3.530 -5.240 5.918 1.00 0.00 N ATOM 1560 CA SER A 104 2.523 -6.093 6.637 1.00 0.00 C ATOM 1561 C SER A 104 1.403 -6.563 5.704 1.00 0.00 C ATOM 1562 O SER A 104 0.892 -7.656 5.860 1.00 0.00 O ATOM 1563 CB SER A 104 1.892 -5.264 7.761 1.00 0.00 C ATOM 1564 OG SER A 104 2.359 -5.741 9.015 1.00 0.00 O ATOM 0 H SER A 104 3.987 -4.546 6.510 1.00 0.00 H new ATOM 0 HA SER A 104 3.041 -6.970 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.149 -4.212 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.805 -5.334 7.714 1.00 0.00 H new ATOM 0 HG SER A 104 1.959 -5.212 9.736 1.00 0.00 H new ATOM 1570 N GLY A 105 1.023 -5.773 4.736 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.055 -6.203 3.800 1.00 0.00 C ATOM 1572 C GLY A 105 0.555 -6.514 2.429 1.00 0.00 C ATOM 1573 O GLY A 105 1.302 -5.729 1.879 1.00 0.00 O ATOM 0 H GLY A 105 1.413 -4.848 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.563 -7.084 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.805 -5.418 3.707 1.00 0.00 H new ATOM 1577 N TYR A 106 0.233 -7.649 1.869 1.00 0.00 N ATOM 1578 CA TYR A 106 0.778 -8.002 0.525 1.00 0.00 C ATOM 1579 C TYR A 106 -0.280 -8.777 -0.247 1.00 0.00 C ATOM 1580 O TYR A 106 -0.654 -9.872 0.127 1.00 0.00 O ATOM 1581 CB TYR A 106 2.030 -8.871 0.659 1.00 0.00 C ATOM 1582 CG TYR A 106 1.912 -10.073 -0.259 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.059 -9.929 -1.650 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.655 -11.339 0.284 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.949 -11.050 -2.483 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.546 -12.455 -0.552 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.693 -12.311 -1.934 1.00 0.00 C ATOM 1588 OH TYR A 106 1.588 -13.417 -2.753 1.00 0.00 O ATOM 0 H TYR A 106 -0.384 -8.347 2.284 1.00 0.00 H new ATOM 0 HA TYR A 106 1.042 -7.084 0.000 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.917 -8.291 0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.149 -9.199 1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.256 -8.956 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.541 -11.453 1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.062 -10.940 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.348 -13.429 -0.129 1.00 0.00 H new ATOM 0 HH TYR A 106 1.410 -14.212 -2.208 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.760 -8.216 -1.320 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.790 -8.914 -2.132 1.00 0.00 C ATOM 1600 C VAL A 107 -1.195 -9.249 -3.494 1.00 0.00 C ATOM 1601 O VAL A 107 -0.750 -8.381 -4.225 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.001 -8.005 -2.320 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.589 -6.784 -3.142 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.096 -8.782 -3.054 1.00 0.00 C ATOM 0 H VAL A 107 -0.481 -7.300 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.103 -9.826 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.377 -7.675 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.450 -6.131 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.802 -6.241 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.220 -7.108 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.966 -8.141 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.724 -9.105 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.379 -9.655 -2.466 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.179 -10.498 -3.846 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.615 -10.875 -5.161 1.00 0.00 C ATOM 1616 C VAL A 108 -1.643 -10.520 -6.244 1.00 0.00 C ATOM 1617 O VAL A 108 -2.569 -11.262 -6.503 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.324 -12.379 -5.179 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.428 -13.121 -4.423 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.268 -12.888 -6.622 1.00 0.00 C ATOM 0 H VAL A 108 -1.531 -11.271 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 108 0.316 -10.339 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 108 0.638 -12.560 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.222 -14.191 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.462 -12.770 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.388 -12.931 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.061 -13.958 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.225 -12.704 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.521 -12.365 -7.162 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.498 -9.381 -6.863 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.472 -8.965 -7.915 1.00 0.00 C ATOM 1632 C LYS A 109 -2.478 -10.015 -9.041 1.00 0.00 C ATOM 1633 O LYS A 109 -1.523 -10.755 -9.176 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.043 -7.585 -8.451 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.509 -7.678 -9.890 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.971 -6.312 -10.317 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.430 -6.399 -11.745 1.00 0.00 C ATOM 1638 NZ LYS A 109 -1.561 -6.311 -12.711 1.00 0.00 N ATOM 0 H LYS A 109 -0.744 -8.717 -6.686 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.481 -8.894 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.892 -6.902 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.273 -7.165 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.720 -8.428 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.303 -7.996 -10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.762 -5.564 -10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.182 -5.992 -9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.280 -5.592 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.109 -7.336 -11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.194 -6.370 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.223 -7.095 -12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.057 -5.406 -12.583 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.521 -10.036 -9.851 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.709 -9.154 -9.727 1.00 0.00 C ATOM 1654 C PRO A 110 -5.605 -9.619 -8.570 1.00 0.00 C ATOM 1655 O PRO A 110 -5.471 -10.723 -8.080 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.472 -9.349 -11.047 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.694 -10.389 -11.890 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.559 -10.938 -11.014 1.00 0.00 C ATOM 0 HA PRO A 110 -4.426 -8.119 -9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.487 -9.695 -10.854 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.554 -8.404 -11.585 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.355 -11.194 -12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.293 -9.928 -12.793 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.753 -11.967 -10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.609 -10.937 -11.548 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.530 -8.796 -8.142 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.438 -9.215 -7.034 1.00 0.00 C ATOM 1668 C PHE A 111 -8.819 -8.621 -7.226 1.00 0.00 C ATOM 1669 O PHE A 111 -9.004 -7.614 -7.881 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.923 -8.729 -5.674 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.547 -7.265 -5.749 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.537 -6.263 -5.794 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.199 -6.906 -5.794 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.157 -4.919 -5.890 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.824 -5.563 -5.882 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.803 -4.569 -5.934 1.00 0.00 C ATOM 0 H PHE A 111 -6.694 -7.859 -8.510 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.474 -10.304 -7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.689 -8.876 -4.913 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.057 -9.319 -5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.583 -6.530 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.439 -7.673 -5.761 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.913 -4.149 -5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.778 -5.294 -5.910 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.515 -3.531 -6.008 1.00 0.00 H new ATOM 1686 N THR A 112 -9.777 -9.220 -6.597 1.00 0.00 N ATOM 1687 CA THR A 112 -11.160 -8.698 -6.649 1.00 0.00 C ATOM 1688 C THR A 112 -11.378 -7.911 -5.360 1.00 0.00 C ATOM 1689 O THR A 112 -10.816 -8.240 -4.334 1.00 0.00 O ATOM 1690 CB THR A 112 -12.154 -9.859 -6.724 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.488 -11.018 -7.206 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.298 -9.493 -7.670 1.00 0.00 C ATOM 0 H THR A 112 -9.659 -10.065 -6.038 1.00 0.00 H new ATOM 0 HA THR A 112 -11.311 -8.069 -7.526 1.00 0.00 H new ATOM 0 HB THR A 112 -12.558 -10.058 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.122 -11.764 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 112 -14.005 -10.321 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.807 -8.604 -7.298 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.898 -9.293 -8.664 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.159 -6.870 -5.394 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.375 -6.072 -4.154 1.00 0.00 C ATOM 1702 C ALA A 113 -12.618 -7.008 -2.980 1.00 0.00 C ATOM 1703 O ALA A 113 -12.303 -6.687 -1.856 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.580 -5.148 -4.338 1.00 0.00 C ATOM 0 H ALA A 113 -12.655 -6.537 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.489 -5.469 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.735 -4.566 -3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.397 -4.473 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.469 -5.745 -4.542 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.152 -8.169 -3.226 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.380 -9.115 -2.104 1.00 0.00 C ATOM 1712 C ALA A 114 -12.024 -9.571 -1.572 1.00 0.00 C ATOM 1713 O ALA A 114 -11.810 -9.644 -0.379 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.182 -10.320 -2.596 1.00 0.00 C ATOM 0 H ALA A 114 -13.438 -8.501 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.944 -8.625 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.346 -11.010 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.143 -9.983 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.629 -10.827 -3.387 1.00 0.00 H new ATOM 1720 N THR A 115 -11.097 -9.859 -2.444 1.00 0.00 N ATOM 1721 CA THR A 115 -9.757 -10.284 -1.967 1.00 0.00 C ATOM 1722 C THR A 115 -9.130 -9.117 -1.209 1.00 0.00 C ATOM 1723 O THR A 115 -8.905 -9.205 -0.018 1.00 0.00 O ATOM 1724 CB THR A 115 -8.873 -10.675 -3.147 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.496 -10.263 -4.350 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.680 -12.193 -3.164 1.00 0.00 C ATOM 0 H THR A 115 -11.210 -9.818 -3.457 1.00 0.00 H new ATOM 0 HA THR A 115 -9.853 -11.151 -1.314 1.00 0.00 H new ATOM 0 HB THR A 115 -7.901 -10.191 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.688 -9.303 -4.307 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.048 -12.470 -4.008 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.205 -12.510 -2.236 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.649 -12.682 -3.261 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.850 -8.014 -1.874 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.253 -6.865 -1.138 1.00 0.00 C ATOM 1736 C LEU A 116 -9.007 -6.635 0.181 1.00 0.00 C ATOM 1737 O LEU A 116 -8.401 -6.410 1.210 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.338 -5.602 -1.991 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.000 -4.851 -1.919 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.912 -5.640 -2.652 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.129 -3.472 -2.570 1.00 0.00 C ATOM 0 H LEU A 116 -9.007 -7.869 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.209 -7.092 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.567 -5.862 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.147 -4.963 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.730 -4.737 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.968 -5.098 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.797 -6.619 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.195 -5.765 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.173 -2.951 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.416 -3.588 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.890 -2.893 -2.047 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.319 -6.686 0.174 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.066 -6.463 1.442 1.00 0.00 C ATOM 1755 C GLU A 117 -10.699 -7.541 2.464 1.00 0.00 C ATOM 1756 O GLU A 117 -10.338 -7.248 3.588 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.568 -6.523 1.174 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.090 -5.117 0.860 1.00 0.00 C ATOM 1759 CD GLU A 117 -12.282 -4.511 -0.288 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -11.143 -4.140 -0.056 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -12.816 -4.424 -1.381 1.00 0.00 O ATOM 0 H GLU A 117 -10.894 -6.871 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.800 -5.482 1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.772 -7.193 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.087 -6.929 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.145 -5.162 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.014 -4.485 1.744 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.803 -8.784 2.081 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.475 -9.897 3.022 1.00 0.00 C ATOM 1770 C GLU A 118 -9.187 -9.570 3.780 1.00 0.00 C ATOM 1771 O GLU A 118 -9.191 -9.401 4.984 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.283 -11.192 2.231 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.784 -12.375 3.062 1.00 0.00 C ATOM 1774 CD GLU A 118 -12.300 -12.501 2.909 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -13.001 -11.648 3.429 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.735 -13.448 2.275 1.00 0.00 O ATOM 0 H GLU A 118 -11.103 -9.080 1.152 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.292 -10.019 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.828 -11.139 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.230 -11.327 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.297 -13.294 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.524 -12.232 4.111 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.088 -9.478 3.083 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.799 -9.159 3.758 1.00 0.00 C ATOM 1785 C LYS A 119 -7.009 -7.993 4.727 1.00 0.00 C ATOM 1786 O LYS A 119 -6.569 -8.023 5.858 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.765 -8.761 2.704 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.532 -9.932 1.746 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.366 -10.790 2.245 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.053 -10.237 1.691 1.00 0.00 C ATOM 1791 NZ LYS A 119 -1.908 -10.975 2.295 1.00 0.00 N ATOM 0 H LYS A 119 -8.027 -9.610 2.073 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.447 -10.032 4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.112 -7.889 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.829 -8.481 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.435 -10.538 1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.317 -9.557 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.342 -10.791 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.500 -11.824 1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.033 -10.338 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.972 -9.173 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.056 -10.827 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.738 -10.623 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.130 -11.990 2.331 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.676 -6.965 4.283 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.919 -5.787 5.163 1.00 0.00 C ATOM 1807 C LEU A 120 -8.378 -6.253 6.546 1.00 0.00 C ATOM 1808 O LEU A 120 -7.933 -5.746 7.555 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.003 -4.900 4.541 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.702 -3.428 4.836 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.752 -2.880 3.771 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -10.003 -2.622 4.810 1.00 0.00 C ATOM 0 H LEU A 120 -8.066 -6.889 3.343 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.993 -5.221 5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.045 -5.063 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.980 -5.168 4.943 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.240 -3.345 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.537 -1.832 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.823 -3.451 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.217 -2.966 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.786 -1.575 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.464 -2.707 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.686 -3.010 5.565 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.270 -7.201 6.605 1.00 0.00 N ATOM 1825 CA ASN A 121 -9.756 -7.676 7.932 1.00 0.00 C ATOM 1826 C ASN A 121 -8.597 -8.279 8.729 1.00 0.00 C ATOM 1827 O ASN A 121 -8.459 -8.046 9.913 1.00 0.00 O ATOM 1828 CB ASN A 121 -10.840 -8.737 7.730 1.00 0.00 C ATOM 1829 CG ASN A 121 -11.886 -8.613 8.839 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.724 -7.733 8.805 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -11.875 -9.463 9.830 1.00 0.00 N ATOM 0 H ASN A 121 -9.683 -7.666 5.797 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.168 -6.831 8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.311 -8.610 6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -10.397 -9.733 7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.569 -9.388 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.173 -10.202 9.860 1.00 0.00 H new ATOM 1838 N LYS A 122 -7.770 -9.056 8.093 1.00 0.00 N ATOM 1839 CA LYS A 122 -6.626 -9.684 8.816 1.00 0.00 C ATOM 1840 C LYS A 122 -5.731 -8.603 9.431 1.00 0.00 C ATOM 1841 O LYS A 122 -5.130 -8.800 10.468 1.00 0.00 O ATOM 1842 CB LYS A 122 -5.804 -10.523 7.834 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.684 -11.627 7.243 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.813 -12.607 6.452 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.494 -13.823 7.322 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.930 -13.367 8.623 1.00 0.00 N ATOM 0 H LYS A 122 -7.834 -9.286 7.101 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.015 -10.319 9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.413 -9.890 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.946 -10.961 8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.210 -12.153 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.443 -11.192 6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.331 -12.921 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.890 -12.119 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.397 -14.410 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.782 -14.472 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.572 -14.187 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.151 -12.701 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.673 -12.894 9.177 1.00 0.00 H new ATOM 1860 N ILE A 123 -5.627 -7.471 8.794 1.00 0.00 N ATOM 1861 CA ILE A 123 -4.759 -6.383 9.337 1.00 0.00 C ATOM 1862 C ILE A 123 -5.574 -5.482 10.269 1.00 0.00 C ATOM 1863 O ILE A 123 -5.064 -4.946 11.232 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.217 -5.556 8.165 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.273 -6.426 7.330 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.453 -4.327 8.679 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.912 -5.696 6.037 1.00 0.00 C ATOM 0 H ILE A 123 -6.105 -7.249 7.920 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.933 -6.817 9.901 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.055 -5.218 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.370 -6.649 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.749 -7.380 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.076 -3.753 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.123 -3.703 9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.617 -4.651 9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.240 -6.317 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.819 -5.496 5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.419 -4.754 6.277 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.822 -5.283 9.975 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.651 -4.389 10.826 1.00 0.00 C ATOM 1881 C PHE A 124 -8.245 -5.162 11.999 1.00 0.00 C ATOM 1882 O PHE A 124 -8.946 -4.607 12.823 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.755 -3.775 9.968 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.226 -2.577 9.197 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.851 -2.425 8.899 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -9.130 -1.603 8.777 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.415 -1.304 8.190 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.685 -0.488 8.066 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.336 -0.340 7.775 1.00 0.00 C ATOM 0 H PHE A 124 -7.307 -5.700 9.181 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.027 -3.595 11.237 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.141 -4.521 9.273 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.588 -3.469 10.601 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.141 -3.174 9.219 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -10.180 -1.712 9.003 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.366 -1.183 7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.392 0.261 7.741 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.997 0.525 7.225 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.948 -6.424 12.117 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.478 -7.185 13.277 1.00 0.00 C ATOM 1901 C GLU A 125 -7.636 -6.809 14.493 1.00 0.00 C ATOM 1902 O GLU A 125 -8.096 -6.816 15.617 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.375 -8.691 13.013 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.091 -9.463 14.127 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.224 -9.469 15.388 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -7.100 -9.935 15.308 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -8.701 -9.008 16.412 1.00 0.00 O ATOM 0 H GLU A 125 -7.368 -6.956 11.468 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.528 -6.944 13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.820 -8.932 12.047 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.328 -8.990 12.965 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.056 -9.003 14.339 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.289 -10.485 13.805 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.402 -6.452 14.259 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.514 -6.040 15.376 1.00 0.00 C ATOM 1916 C LYS A 126 -5.568 -4.518 15.488 1.00 0.00 C ATOM 1917 O LYS A 126 -5.287 -3.946 16.523 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.077 -6.484 15.079 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.896 -7.960 15.455 1.00 0.00 C ATOM 1920 CD LYS A 126 -3.981 -8.138 16.978 1.00 0.00 C ATOM 1921 CE LYS A 126 -2.809 -8.995 17.458 1.00 0.00 C ATOM 1922 NZ LYS A 126 -2.990 -9.318 18.901 1.00 0.00 N ATOM 0 H LYS A 126 -5.971 -6.429 13.335 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.839 -6.500 16.309 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.854 -6.339 14.022 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.374 -5.868 15.640 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.663 -8.563 14.969 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.932 -8.319 15.094 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.960 -7.166 17.470 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.925 -8.611 17.247 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.752 -9.913 16.873 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.870 -8.463 17.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.194 -9.901 19.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.024 -8.437 19.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.879 -9.842 19.031 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.941 -3.858 14.423 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.032 -2.373 14.455 1.00 0.00 C ATOM 1938 C LEU A 127 -7.430 -1.978 14.941 1.00 0.00 C ATOM 1939 O LEU A 127 -7.615 -0.944 15.552 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.783 -1.810 13.042 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.848 -0.593 13.098 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.433 0.479 14.020 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.469 -1.019 13.615 1.00 0.00 C ATOM 0 H LEU A 127 -6.187 -4.287 13.531 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.281 -1.965 15.131 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.345 -2.582 12.410 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.731 -1.525 12.587 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.746 -0.182 12.094 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.762 1.337 14.052 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.406 0.793 13.641 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.549 0.071 15.024 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.810 -0.151 13.652 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.570 -1.441 14.615 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.045 -1.768 12.946 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.415 -2.803 14.686 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.797 -2.481 15.143 1.00 0.00 C ATOM 1957 C GLY A 128 -10.117 -1.019 14.828 1.00 0.00 C ATOM 1958 O GLY A 128 -9.935 -0.142 15.648 1.00 0.00 O ATOM 0 H GLY A 128 -8.320 -3.684 14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.515 -3.135 14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.887 -2.660 16.214 1.00 0.00 H new ATOM 1962 N MET A 129 -10.592 -0.751 13.644 1.00 0.00 N ATOM 1963 CA MET A 129 -10.923 0.652 13.274 1.00 0.00 C ATOM 1964 C MET A 129 -12.379 0.948 13.641 1.00 0.00 C ATOM 1965 O MET A 129 -13.255 0.406 12.987 1.00 0.00 O ATOM 1966 CB MET A 129 -10.729 0.833 11.770 1.00 0.00 C ATOM 1967 CG MET A 129 -9.351 1.443 11.500 1.00 0.00 C ATOM 1968 SD MET A 129 -9.375 3.203 11.922 1.00 0.00 S ATOM 1969 CE MET A 129 -7.933 3.690 10.943 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.593 1.713 14.567 1.00 0.00 O ATOM 0 H MET A 129 -10.765 -1.444 12.916 1.00 0.00 H new ATOM 0 HA MET A 129 -10.269 1.337 13.813 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.818 -0.128 11.263 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.509 1.479 11.368 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.592 0.928 12.089 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.084 1.313 10.451 1.00 0.00 H new ATOM 0 HE1 MET A 129 -7.760 4.760 11.058 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.057 3.142 11.288 1.00 0.00 H new ATOM 0 HE3 MET A 129 -8.113 3.462 9.892 1.00 0.00 H new TER 1980 MET A 129