USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 959 hydrogens (13 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 NoAdj-H: B 2 PTR HN2 : B 2 PTR N : B 1 THR C :(H bumps) USER MOD Set 1.1: A 53 CYS SG : rot 80:sc= -4.29! USER MOD Set 1.2: A 62 HIS : no HD1:sc= -10.2! C(o=-15!,f=-9.8!) USER MOD Set 2.1: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 17 HIS : no HD1:sc= -5.29! C(o=-16!,f=-21!) USER MOD Set 2.3: A 107 GLN : amide:sc= -11.1! C(o=-16!,f=-19!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 9 SER OG : rot -3:sc= 0.315 USER MOD Single : A 10 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.31) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 46:sc= -9.75! USER MOD Single : A 27 GLN : amide:sc= -0.0313 X(o=-0.031,f=0) USER MOD Single : A 33 SER OG : rot -67:sc= -3.38! USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.079 (180deg=-0.471) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 36 ASN : amide:sc= -8.25! C(o=-8.3!,f=-11!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -3.85! C(o=-3.8!,f=-9.2!) USER MOD Single : A 47 ASN : amide:sc=-0.00935 X(o=-0.0094,f=0) USER MOD Single : A 49 SER OG : rot -160:sc= 0 USER MOD Single : A 50 TYR OH : rot -80:sc= -1.31 USER MOD Single : A 56 HIS : no HD1:sc= -6.17 K(o=-6.2,f=-7.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= -0.321 (180deg=-1.07) USER MOD Single : A 69 LYS NZ :NH3+ 155:sc= -0.0354 (180deg=-0.36) USER MOD Single : A 70 THR OG1 : rot 70:sc= 0.302 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 160:sc= -1.49! USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0832) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 86 GLN : amide:sc= -1.62! C(o=-1.6!,f=-5.3!) USER MOD Single : A 90 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-0.67) USER MOD Single : A 91 TYR OH : rot 44:sc= -0.405 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 163:sc= 0.302 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -49:sc= -13! USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.26) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.0088 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.551 -5.366 8.339 1.00 0.00 N ATOM 2 CA GLY A 1 -19.202 -5.397 7.789 1.00 0.00 C ATOM 3 C GLY A 1 -19.085 -6.346 6.594 1.00 0.00 C ATOM 4 O GLY A 1 -18.635 -5.976 5.516 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.582 -4.710 9.146 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.217 -5.046 7.607 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.818 -6.319 8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.914 -4.392 7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.502 -5.706 8.566 1.00 0.00 H new ATOM 10 N SER A 2 -19.519 -7.590 6.865 1.00 0.00 N ATOM 11 CA SER A 2 -19.461 -8.590 5.812 1.00 0.00 C ATOM 12 C SER A 2 -18.006 -8.803 5.398 1.00 0.00 C ATOM 13 O SER A 2 -17.318 -7.889 4.960 1.00 0.00 O ATOM 14 CB SER A 2 -20.297 -8.126 4.622 1.00 0.00 C ATOM 15 OG SER A 2 -21.636 -7.933 5.001 1.00 0.00 O ATOM 0 H SER A 2 -19.894 -7.906 7.760 1.00 0.00 H new ATOM 0 HA SER A 2 -19.866 -9.535 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.889 -7.197 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.243 -8.865 3.823 1.00 0.00 H new ATOM 0 HG SER A 2 -22.156 -7.634 4.226 1.00 0.00 H new ATOM 21 N ARG A 3 -17.589 -10.071 5.567 1.00 0.00 N ATOM 22 CA ARG A 3 -16.220 -10.402 5.212 1.00 0.00 C ATOM 23 C ARG A 3 -16.193 -11.710 4.424 1.00 0.00 C ATOM 24 O ARG A 3 -16.377 -12.794 4.964 1.00 0.00 O ATOM 25 CB ARG A 3 -15.383 -10.533 6.482 1.00 0.00 C ATOM 26 CG ARG A 3 -13.912 -10.791 6.158 1.00 0.00 C ATOM 27 CD ARG A 3 -13.221 -11.584 7.267 1.00 0.00 C ATOM 28 NE ARG A 3 -13.346 -10.893 8.537 1.00 0.00 N ATOM 29 CZ ARG A 3 -12.761 -11.430 9.624 1.00 0.00 C ATOM 30 NH1 ARG A 3 -12.082 -12.570 9.522 1.00 0.00 N ATOM 31 NH2 ARG A 3 -12.862 -10.821 10.801 1.00 0.00 N ATOM 0 H ARG A 3 -18.155 -10.839 5.928 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.802 -9.610 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.472 -9.622 7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.771 -11.349 7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.837 -11.338 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.398 -9.840 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.663 -12.578 7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.168 -11.721 7.023 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.866 -10.018 8.605 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.004 -13.038 8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.639 -12.975 10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.383 -9.947 10.880 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.419 -11.227 11.625 1.00 0.00 H new ATOM 45 N ARG A 4 -15.948 -11.532 3.113 1.00 0.00 N ATOM 46 CA ARG A 4 -15.890 -12.700 2.251 1.00 0.00 C ATOM 47 C ARG A 4 -15.576 -12.264 0.821 1.00 0.00 C ATOM 48 O ARG A 4 -14.429 -12.234 0.392 1.00 0.00 O ATOM 49 CB ARG A 4 -17.219 -13.449 2.305 1.00 0.00 C ATOM 50 CG ARG A 4 -17.168 -14.731 1.475 1.00 0.00 C ATOM 51 CD ARG A 4 -15.839 -15.463 1.660 1.00 0.00 C ATOM 52 NE ARG A 4 -15.875 -16.754 0.997 1.00 0.00 N ATOM 53 CZ ARG A 4 -14.824 -17.582 1.140 1.00 0.00 C ATOM 54 NH1 ARG A 4 -13.777 -17.211 1.873 1.00 0.00 N ATOM 55 NH2 ARG A 4 -14.831 -18.773 0.548 1.00 0.00 N ATOM 0 H ARG A 4 -15.795 -10.633 2.655 1.00 0.00 H new ATOM 0 HA ARG A 4 -15.102 -13.370 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -17.460 -13.693 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -18.017 -12.805 1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -17.989 -15.386 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -17.309 -14.490 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -15.026 -14.861 1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -15.636 -15.598 2.722 1.00 0.00 H new ATOM 0 HE ARG A 4 -16.680 -17.028 0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -13.770 -16.298 2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.981 -17.840 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.633 -19.058 -0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.035 -19.401 0.656 1.00 0.00 H new ATOM 69 N ALA A 5 -16.674 -11.932 0.117 1.00 0.00 N ATOM 70 CA ALA A 5 -16.513 -11.499 -1.262 1.00 0.00 C ATOM 71 C ALA A 5 -15.319 -10.550 -1.370 1.00 0.00 C ATOM 72 O ALA A 5 -14.500 -10.642 -2.276 1.00 0.00 O ATOM 73 CB ALA A 5 -17.790 -10.809 -1.731 1.00 0.00 C ATOM 0 H ALA A 5 -17.632 -11.956 0.467 1.00 0.00 H new ATOM 0 HA ALA A 5 -16.327 -12.364 -1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -17.670 -10.484 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.626 -11.506 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -17.989 -9.943 -1.100 1.00 0.00 H new ATOM 79 N SER A 6 -15.282 -9.638 -0.384 1.00 0.00 N ATOM 80 CA SER A 6 -14.194 -8.676 -0.369 1.00 0.00 C ATOM 81 C SER A 6 -13.081 -9.184 0.546 1.00 0.00 C ATOM 82 O SER A 6 -13.236 -10.157 1.273 1.00 0.00 O ATOM 83 CB SER A 6 -14.714 -7.326 0.119 1.00 0.00 C ATOM 84 OG SER A 6 -15.079 -7.395 1.474 1.00 0.00 O ATOM 0 H SER A 6 -15.961 -9.555 0.373 1.00 0.00 H new ATOM 0 HA SER A 6 -13.794 -8.553 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.947 -6.564 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.573 -7.024 -0.479 1.00 0.00 H new ATOM 0 HG SER A 6 -15.408 -6.520 1.769 1.00 0.00 H new ATOM 90 N VAL A 7 -11.952 -8.455 0.456 1.00 0.00 N ATOM 91 CA VAL A 7 -10.807 -8.827 1.272 1.00 0.00 C ATOM 92 C VAL A 7 -10.688 -10.350 1.346 1.00 0.00 C ATOM 93 O VAL A 7 -10.797 -10.957 2.405 1.00 0.00 O ATOM 94 CB VAL A 7 -10.964 -8.228 2.667 1.00 0.00 C ATOM 95 CG1 VAL A 7 -12.278 -8.678 3.304 1.00 0.00 C ATOM 96 CG2 VAL A 7 -9.781 -8.624 3.552 1.00 0.00 C ATOM 0 H VAL A 7 -11.820 -7.643 -0.148 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.895 -8.437 0.821 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.983 -7.142 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.370 -8.240 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -13.113 -8.351 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.290 -9.765 3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.907 -8.189 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.736 -9.710 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.856 -8.255 3.109 1.00 0.00 H new ATOM 106 N GLY A 8 -10.459 -10.920 0.149 1.00 0.00 N ATOM 107 CA GLY A 8 -10.326 -12.363 0.083 1.00 0.00 C ATOM 108 C GLY A 8 -10.293 -12.849 -1.369 1.00 0.00 C ATOM 109 O GLY A 8 -11.319 -13.065 -2.003 1.00 0.00 O ATOM 0 H GLY A 8 -10.368 -10.423 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.413 -12.671 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.158 -12.832 0.608 1.00 0.00 H new ATOM 113 N SER A 9 -9.043 -13.007 -1.842 1.00 0.00 N ATOM 114 CA SER A 9 -8.868 -13.469 -3.210 1.00 0.00 C ATOM 115 C SER A 9 -7.386 -13.769 -3.458 1.00 0.00 C ATOM 116 O SER A 9 -6.896 -14.860 -3.194 1.00 0.00 O ATOM 117 CB SER A 9 -9.378 -12.403 -4.179 1.00 0.00 C ATOM 118 OG SER A 9 -10.781 -12.327 -4.138 1.00 0.00 O ATOM 0 H SER A 9 -8.185 -12.829 -1.320 1.00 0.00 H new ATOM 0 HA SER A 9 -9.440 -14.383 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.948 -11.435 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.051 -12.638 -5.192 1.00 0.00 H new ATOM 0 HG SER A 9 -11.128 -13.017 -3.534 1.00 0.00 H new ATOM 124 N HIS A 10 -6.714 -12.728 -3.984 1.00 0.00 N ATOM 125 CA HIS A 10 -5.296 -12.884 -4.266 1.00 0.00 C ATOM 126 C HIS A 10 -4.476 -12.214 -3.160 1.00 0.00 C ATOM 127 O HIS A 10 -3.504 -11.511 -3.408 1.00 0.00 O ATOM 128 CB HIS A 10 -4.980 -12.260 -5.624 1.00 0.00 C ATOM 129 CG HIS A 10 -3.561 -12.597 -6.015 1.00 0.00 C ATOM 130 ND1 HIS A 10 -2.664 -11.689 -6.455 1.00 0.00 N ATOM 131 CD2 HIS A 10 -2.937 -13.858 -6.001 1.00 0.00 C ATOM 132 CE1 HIS A 10 -1.530 -12.364 -6.703 1.00 0.00 C ATOM 133 NE2 HIS A 10 -1.669 -13.675 -6.437 1.00 0.00 N ATOM 0 H HIS A 10 -7.115 -11.817 -4.209 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.038 -13.942 -4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.674 -12.632 -6.377 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.109 -11.179 -5.578 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.385 -14.794 -5.700 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.621 -11.911 -7.070 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.954 -14.395 -6.544 1.00 0.00 H new ATOM 141 N GLU A 11 -4.943 -12.483 -1.926 1.00 0.00 N ATOM 142 CA GLU A 11 -4.273 -11.920 -0.777 1.00 0.00 C ATOM 143 C GLU A 11 -2.802 -12.313 -0.783 1.00 0.00 C ATOM 144 O GLU A 11 -1.909 -11.483 -0.902 1.00 0.00 O ATOM 145 CB GLU A 11 -4.958 -12.458 0.470 1.00 0.00 C ATOM 146 CG GLU A 11 -5.141 -11.374 1.525 1.00 0.00 C ATOM 147 CD GLU A 11 -3.799 -11.059 2.188 1.00 0.00 C ATOM 148 OE1 GLU A 11 -3.092 -11.996 2.557 1.00 0.00 O ATOM 149 OE2 GLU A 11 -3.476 -9.881 2.329 1.00 0.00 O ATOM 0 H GLU A 11 -5.753 -13.067 -1.719 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.329 -10.832 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.930 -12.872 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.368 -13.274 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.550 -10.474 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.859 -11.703 2.276 1.00 0.00 H new ATOM 156 N LYS A 12 -2.623 -13.639 -0.650 1.00 0.00 N ATOM 157 CA LYS A 12 -1.271 -14.170 -0.620 1.00 0.00 C ATOM 158 C LYS A 12 -0.375 -13.209 0.170 1.00 0.00 C ATOM 159 O LYS A 12 -0.411 -13.170 1.393 1.00 0.00 O ATOM 160 CB LYS A 12 -0.794 -14.354 -2.052 1.00 0.00 C ATOM 161 CG LYS A 12 -1.226 -15.709 -2.615 1.00 0.00 C ATOM 162 CD LYS A 12 -0.461 -16.863 -1.966 1.00 0.00 C ATOM 163 CE LYS A 12 -1.201 -18.190 -2.138 1.00 0.00 C ATOM 164 NZ LYS A 12 -0.388 -19.337 -1.750 1.00 0.00 N ATOM 0 H LYS A 12 -3.370 -14.329 -0.566 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.235 -15.139 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.194 -13.555 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.292 -14.273 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.295 -15.845 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.062 -15.724 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.532 -16.938 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.321 -16.658 -0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.112 -18.175 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.506 -18.300 -3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.934 -20.211 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.469 -19.370 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.118 -19.249 -0.750 1.00 0.00 H new ATOM 178 N MET A 13 0.418 -12.437 -0.604 1.00 0.00 N ATOM 179 CA MET A 13 1.285 -11.464 0.045 1.00 0.00 C ATOM 180 C MET A 13 2.463 -11.062 -0.852 1.00 0.00 C ATOM 181 O MET A 13 3.615 -11.282 -0.504 1.00 0.00 O ATOM 182 CB MET A 13 1.817 -12.057 1.349 1.00 0.00 C ATOM 183 CG MET A 13 1.071 -11.515 2.569 1.00 0.00 C ATOM 184 SD MET A 13 1.098 -12.701 3.923 1.00 0.00 S ATOM 185 CE MET A 13 2.452 -11.977 4.863 1.00 0.00 C ATOM 0 H MET A 13 0.469 -12.471 -1.622 1.00 0.00 H new ATOM 0 HA MET A 13 0.698 -10.568 0.245 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.723 -13.143 1.319 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.879 -11.832 1.443 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.527 -10.579 2.892 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.039 -11.290 2.298 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.633 -12.572 5.758 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.353 -11.961 4.250 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.191 -10.959 5.151 1.00 0.00 H new ATOM 195 N PRO A 14 2.144 -10.461 -2.034 1.00 0.00 N ATOM 196 CA PRO A 14 3.169 -9.998 -2.938 1.00 0.00 C ATOM 197 C PRO A 14 3.594 -8.599 -2.532 1.00 0.00 C ATOM 198 O PRO A 14 4.639 -8.368 -1.943 1.00 0.00 O ATOM 199 CB PRO A 14 2.506 -9.953 -4.315 1.00 0.00 C ATOM 200 CG PRO A 14 0.991 -9.995 -4.062 1.00 0.00 C ATOM 201 CD PRO A 14 0.801 -10.296 -2.568 1.00 0.00 C ATOM 0 HA PRO A 14 4.049 -10.641 -2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.786 -9.047 -4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.822 -10.798 -4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.528 -9.045 -4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.517 -10.762 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.276 -9.483 -2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.206 -11.198 -2.421 1.00 0.00 H new ATOM 209 N TRP A 15 2.690 -7.698 -2.905 1.00 0.00 N ATOM 210 CA TRP A 15 2.874 -6.307 -2.539 1.00 0.00 C ATOM 211 C TRP A 15 1.980 -6.015 -1.331 1.00 0.00 C ATOM 212 O TRP A 15 1.666 -4.873 -1.026 1.00 0.00 O ATOM 213 CB TRP A 15 2.499 -5.373 -3.702 1.00 0.00 C ATOM 214 CG TRP A 15 1.231 -5.846 -4.402 1.00 0.00 C ATOM 215 CD1 TRP A 15 0.226 -6.602 -3.812 1.00 0.00 C ATOM 216 CD2 TRP A 15 0.835 -5.606 -5.759 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.766 -6.838 -4.720 1.00 0.00 N ATOM 218 CE2 TRP A 15 -0.433 -6.242 -5.939 1.00 0.00 C ATOM 219 CE3 TRP A 15 1.433 -4.923 -6.811 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -1.083 -6.185 -7.165 1.00 0.00 C ATOM 221 CZ3 TRP A 15 0.778 -4.858 -8.066 1.00 0.00 C ATOM 222 CH2 TRP A 15 -0.481 -5.490 -8.244 1.00 0.00 C ATOM 0 H TRP A 15 1.848 -7.901 -3.444 1.00 0.00 H new ATOM 0 HA TRP A 15 3.922 -6.130 -2.298 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.354 -4.360 -3.326 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.319 -5.333 -4.418 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.229 -6.950 -2.790 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.618 -7.367 -4.537 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.391 -4.444 -6.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -2.041 -6.667 -7.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.237 -4.328 -8.887 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.980 -5.441 -9.201 1.00 0.00 H new ATOM 233 N PHE A 16 1.590 -7.127 -0.663 1.00 0.00 N ATOM 234 CA PHE A 16 0.715 -6.958 0.478 1.00 0.00 C ATOM 235 C PHE A 16 1.185 -7.779 1.671 1.00 0.00 C ATOM 236 O PHE A 16 0.695 -8.869 1.935 1.00 0.00 O ATOM 237 CB PHE A 16 -0.694 -7.383 0.085 1.00 0.00 C ATOM 238 CG PHE A 16 -1.703 -7.008 1.144 1.00 0.00 C ATOM 239 CD1 PHE A 16 -1.302 -6.311 2.315 1.00 0.00 C ATOM 240 CD2 PHE A 16 -3.068 -7.361 0.989 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.244 -5.975 3.310 1.00 0.00 C ATOM 242 CE2 PHE A 16 -4.011 -7.023 1.988 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.598 -6.331 3.147 1.00 0.00 C ATOM 0 H PHE A 16 1.857 -8.085 -0.889 1.00 0.00 H new ATOM 0 HA PHE A 16 0.728 -5.909 0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.966 -6.913 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.718 -8.461 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.266 -6.036 2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.389 -7.890 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.928 -5.445 4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.049 -7.295 1.864 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.319 -6.074 3.909 1.00 0.00 H new ATOM 253 N HIS A 17 2.156 -7.180 2.375 1.00 0.00 N ATOM 254 CA HIS A 17 2.650 -7.847 3.562 1.00 0.00 C ATOM 255 C HIS A 17 2.131 -7.103 4.787 1.00 0.00 C ATOM 256 O HIS A 17 2.479 -5.958 5.050 1.00 0.00 O ATOM 257 CB HIS A 17 4.167 -7.868 3.568 1.00 0.00 C ATOM 258 CG HIS A 17 4.660 -9.129 2.899 1.00 0.00 C ATOM 259 ND1 HIS A 17 5.285 -10.131 3.555 1.00 0.00 N ATOM 260 CD2 HIS A 17 4.563 -9.487 1.543 1.00 0.00 C ATOM 261 CE1 HIS A 17 5.561 -11.072 2.638 1.00 0.00 C ATOM 262 NE2 HIS A 17 5.136 -10.707 1.416 1.00 0.00 N ATOM 0 H HIS A 17 2.588 -6.284 2.151 1.00 0.00 H new ATOM 0 HA HIS A 17 2.299 -8.879 3.575 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.555 -6.993 3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.537 -7.819 4.592 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.117 -8.901 0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.061 -12.004 2.855 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.228 -11.247 0.556 1.00 0.00 H new ATOM 270 N GLY A 18 1.277 -7.837 5.508 1.00 0.00 N ATOM 271 CA GLY A 18 0.692 -7.255 6.702 1.00 0.00 C ATOM 272 C GLY A 18 1.540 -7.564 7.943 1.00 0.00 C ATOM 273 O GLY A 18 1.033 -7.746 9.044 1.00 0.00 O ATOM 0 H GLY A 18 0.990 -8.792 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.604 -6.176 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.317 -7.643 6.842 1.00 0.00 H new ATOM 277 N LYS A 19 2.861 -7.609 7.683 1.00 0.00 N ATOM 278 CA LYS A 19 3.781 -7.898 8.771 1.00 0.00 C ATOM 279 C LYS A 19 4.823 -6.785 8.871 1.00 0.00 C ATOM 280 O LYS A 19 5.054 -6.204 9.924 1.00 0.00 O ATOM 281 CB LYS A 19 4.462 -9.239 8.505 1.00 0.00 C ATOM 282 CG LYS A 19 5.372 -9.651 9.663 1.00 0.00 C ATOM 283 CD LYS A 19 6.190 -10.895 9.314 1.00 0.00 C ATOM 284 CE LYS A 19 7.121 -11.296 10.458 1.00 0.00 C ATOM 285 NZ LYS A 19 8.005 -12.397 10.094 1.00 0.00 N ATOM 0 H LYS A 19 3.289 -7.455 6.770 1.00 0.00 H new ATOM 0 HA LYS A 19 3.236 -7.952 9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.705 -10.007 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.047 -9.174 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.044 -8.829 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.769 -9.847 10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.517 -11.721 9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.777 -10.705 8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.720 -10.435 10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.525 -11.583 11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.617 -12.633 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.436 -13.229 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.594 -12.116 9.284 1.00 0.00 H new ATOM 299 N ILE A 20 5.431 -6.538 7.697 1.00 0.00 N ATOM 300 CA ILE A 20 6.455 -5.503 7.632 1.00 0.00 C ATOM 301 C ILE A 20 6.067 -4.316 8.506 1.00 0.00 C ATOM 302 O ILE A 20 4.917 -4.134 8.888 1.00 0.00 O ATOM 303 CB ILE A 20 6.625 -5.044 6.188 1.00 0.00 C ATOM 304 CG1 ILE A 20 5.279 -5.071 5.458 1.00 0.00 C ATOM 305 CG2 ILE A 20 7.646 -5.919 5.469 1.00 0.00 C ATOM 306 CD1 ILE A 20 5.392 -4.505 4.045 1.00 0.00 C ATOM 0 H ILE A 20 5.237 -7.022 6.820 1.00 0.00 H new ATOM 0 HA ILE A 20 7.396 -5.914 7.998 1.00 0.00 H new ATOM 0 HB ILE A 20 6.994 -4.018 6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.911 -6.096 5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.547 -4.495 6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.756 -5.579 4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.607 -5.850 5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.306 -6.955 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.417 -4.541 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.735 -3.472 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.105 -5.098 3.472 1.00 0.00 H new ATOM 318 N SER A 21 7.115 -3.524 8.791 1.00 0.00 N ATOM 319 CA SER A 21 6.900 -2.351 9.604 1.00 0.00 C ATOM 320 C SER A 21 6.584 -1.167 8.691 1.00 0.00 C ATOM 321 O SER A 21 5.441 -0.869 8.368 1.00 0.00 O ATOM 322 CB SER A 21 8.153 -2.087 10.436 1.00 0.00 C ATOM 323 OG SER A 21 8.265 -3.025 11.476 1.00 0.00 O ATOM 0 H SER A 21 8.074 -3.677 8.479 1.00 0.00 H new ATOM 0 HA SER A 21 6.060 -2.500 10.282 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.036 -2.136 9.799 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.115 -1.080 10.851 1.00 0.00 H new ATOM 0 HG SER A 21 9.074 -2.841 11.997 1.00 0.00 H new ATOM 329 N ARG A 22 7.695 -0.539 8.306 1.00 0.00 N ATOM 330 CA ARG A 22 7.631 0.612 7.423 1.00 0.00 C ATOM 331 C ARG A 22 9.016 0.763 6.798 1.00 0.00 C ATOM 332 O ARG A 22 9.184 0.975 5.602 1.00 0.00 O ATOM 333 CB ARG A 22 7.259 1.863 8.216 1.00 0.00 C ATOM 334 CG ARG A 22 5.969 2.500 7.698 1.00 0.00 C ATOM 335 CD ARG A 22 4.770 2.145 8.577 1.00 0.00 C ATOM 336 NE ARG A 22 5.021 2.535 9.951 1.00 0.00 N ATOM 337 CZ ARG A 22 4.214 2.057 10.917 1.00 0.00 C ATOM 338 NH1 ARG A 22 3.210 1.243 10.605 1.00 0.00 N ATOM 339 NH2 ARG A 22 4.421 2.400 12.185 1.00 0.00 N ATOM 0 H ARG A 22 8.637 -0.808 8.591 1.00 0.00 H new ATOM 0 HA ARG A 22 6.872 0.477 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.140 1.604 9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.072 2.587 8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.087 3.583 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.783 2.167 6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.877 2.648 8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.577 1.073 8.525 1.00 0.00 H new ATOM 0 HE ARG A 22 5.794 3.159 10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.050 0.980 9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.600 0.882 11.338 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.191 3.025 12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.810 2.038 12.917 1.00 0.00 H new ATOM 353 N GLU A 23 9.990 0.617 7.715 1.00 0.00 N ATOM 354 CA GLU A 23 11.364 0.683 7.319 1.00 0.00 C ATOM 355 C GLU A 23 11.719 -0.629 6.640 1.00 0.00 C ATOM 356 O GLU A 23 12.315 -0.681 5.572 1.00 0.00 O ATOM 357 CB GLU A 23 12.186 0.887 8.587 1.00 0.00 C ATOM 358 CG GLU A 23 12.683 -0.416 9.203 1.00 0.00 C ATOM 359 CD GLU A 23 13.647 -0.115 10.353 1.00 0.00 C ATOM 360 OE1 GLU A 23 13.274 0.642 11.248 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.758 -0.641 10.340 1.00 0.00 O ATOM 0 H GLU A 23 9.833 0.457 8.710 1.00 0.00 H new ATOM 0 HA GLU A 23 11.561 1.499 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.042 1.522 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.582 1.420 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.839 -1.001 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.184 -1.019 8.445 1.00 0.00 H new ATOM 368 N GLU A 24 11.279 -1.675 7.352 1.00 0.00 N ATOM 369 CA GLU A 24 11.520 -3.018 6.865 1.00 0.00 C ATOM 370 C GLU A 24 11.089 -3.132 5.399 1.00 0.00 C ATOM 371 O GLU A 24 11.735 -3.777 4.583 1.00 0.00 O ATOM 372 CB GLU A 24 10.742 -3.996 7.734 1.00 0.00 C ATOM 373 CG GLU A 24 11.051 -3.788 9.217 1.00 0.00 C ATOM 374 CD GLU A 24 12.495 -4.203 9.510 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.818 -5.375 9.323 1.00 0.00 O ATOM 376 OE2 GLU A 24 13.279 -3.349 9.921 1.00 0.00 O ATOM 0 H GLU A 24 10.773 -1.612 8.235 1.00 0.00 H new ATOM 0 HA GLU A 24 12.583 -3.251 6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.673 -3.869 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.991 -5.018 7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.902 -2.742 9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.364 -4.375 9.827 1.00 0.00 H new ATOM 383 N SER A 25 9.959 -2.455 5.126 1.00 0.00 N ATOM 384 CA SER A 25 9.433 -2.489 3.770 1.00 0.00 C ATOM 385 C SER A 25 10.165 -1.488 2.860 1.00 0.00 C ATOM 386 O SER A 25 10.132 -1.595 1.640 1.00 0.00 O ATOM 387 CB SER A 25 7.942 -2.180 3.813 1.00 0.00 C ATOM 388 OG SER A 25 7.278 -2.808 2.749 1.00 0.00 O ATOM 0 H SER A 25 9.422 -1.906 5.797 1.00 0.00 H new ATOM 0 HA SER A 25 9.593 -3.483 3.352 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.522 -2.517 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.787 -1.102 3.761 1.00 0.00 H new ATOM 0 HG SER A 25 7.581 -3.737 2.677 1.00 0.00 H new ATOM 394 N GLU A 26 10.821 -0.514 3.523 1.00 0.00 N ATOM 395 CA GLU A 26 11.539 0.485 2.773 1.00 0.00 C ATOM 396 C GLU A 26 12.942 -0.021 2.403 1.00 0.00 C ATOM 397 O GLU A 26 13.575 0.467 1.475 1.00 0.00 O ATOM 398 CB GLU A 26 11.595 1.736 3.640 1.00 0.00 C ATOM 399 CG GLU A 26 12.949 2.428 3.570 1.00 0.00 C ATOM 400 CD GLU A 26 13.014 3.561 4.597 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.151 3.610 5.472 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.927 4.381 4.510 1.00 0.00 O ATOM 0 H GLU A 26 10.858 -0.415 4.537 1.00 0.00 H new ATOM 0 HA GLU A 26 11.038 0.708 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.818 2.431 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.379 1.468 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.745 1.708 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.112 2.825 2.568 1.00 0.00 H new ATOM 409 N GLN A 27 13.380 -1.025 3.185 1.00 0.00 N ATOM 410 CA GLN A 27 14.686 -1.599 2.903 1.00 0.00 C ATOM 411 C GLN A 27 14.497 -2.586 1.759 1.00 0.00 C ATOM 412 O GLN A 27 15.367 -2.818 0.933 1.00 0.00 O ATOM 413 CB GLN A 27 15.248 -2.305 4.137 1.00 0.00 C ATOM 414 CG GLN A 27 14.724 -1.692 5.434 1.00 0.00 C ATOM 415 CD GLN A 27 15.766 -1.849 6.543 1.00 0.00 C ATOM 416 OE1 GLN A 27 16.271 -2.933 6.809 1.00 0.00 O ATOM 417 NE2 GLN A 27 16.048 -0.691 7.167 1.00 0.00 N ATOM 0 H GLN A 27 12.874 -1.430 3.972 1.00 0.00 H new ATOM 0 HA GLN A 27 15.399 -0.820 2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.983 -3.362 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.336 -2.249 4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.498 -0.637 5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.793 -2.178 5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.580 0.169 6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.730 -0.673 7.925 1.00 0.00 H new ATOM 426 N ILE A 28 13.280 -3.144 1.780 1.00 0.00 N ATOM 427 CA ILE A 28 12.914 -4.060 0.756 1.00 0.00 C ATOM 428 C ILE A 28 12.864 -3.319 -0.564 1.00 0.00 C ATOM 429 O ILE A 28 13.308 -3.786 -1.604 1.00 0.00 O ATOM 430 CB ILE A 28 11.545 -4.585 1.132 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.660 -5.795 2.034 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.726 -4.922 -0.098 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.402 -5.946 2.881 1.00 0.00 C ATOM 0 H ILE A 28 12.566 -2.967 2.486 1.00 0.00 H new ATOM 0 HA ILE A 28 13.624 -4.881 0.655 1.00 0.00 H new ATOM 0 HB ILE A 28 11.029 -3.794 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.812 -6.692 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.532 -5.693 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.749 -5.296 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.598 -4.027 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.241 -5.686 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.499 -6.820 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.268 -5.056 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.537 -6.070 2.229 1.00 0.00 H new ATOM 445 N VAL A 29 12.259 -2.141 -0.447 1.00 0.00 N ATOM 446 CA VAL A 29 12.170 -1.314 -1.621 1.00 0.00 C ATOM 447 C VAL A 29 13.571 -0.946 -2.083 1.00 0.00 C ATOM 448 O VAL A 29 13.820 -0.690 -3.255 1.00 0.00 O ATOM 449 CB VAL A 29 11.370 -0.064 -1.261 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.837 1.138 -2.074 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.868 -0.290 -1.452 1.00 0.00 C ATOM 0 H VAL A 29 11.846 -1.761 0.405 1.00 0.00 H new ATOM 0 HA VAL A 29 11.671 -1.842 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 29 11.548 0.146 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.251 2.014 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.891 1.328 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.704 0.933 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.327 0.618 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.667 -0.541 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.539 -1.108 -0.811 1.00 0.00 H new ATOM 461 N LEU A 30 14.460 -0.935 -1.089 1.00 0.00 N ATOM 462 CA LEU A 30 15.814 -0.624 -1.384 1.00 0.00 C ATOM 463 C LEU A 30 16.343 -1.686 -2.347 1.00 0.00 C ATOM 464 O LEU A 30 17.123 -1.420 -3.254 1.00 0.00 O ATOM 465 CB LEU A 30 16.543 -0.646 -0.046 1.00 0.00 C ATOM 466 CG LEU A 30 17.507 -1.816 0.087 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.815 -1.525 -0.634 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.767 -2.130 1.546 1.00 0.00 C ATOM 0 H LEU A 30 14.254 -1.134 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 30 15.949 0.347 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.093 0.287 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.811 -0.693 0.760 1.00 0.00 H new ATOM 0 HG LEU A 30 17.046 -2.688 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.488 -2.376 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.617 -1.353 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.279 -0.638 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.458 -2.969 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.202 -1.258 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.828 -2.389 2.035 1.00 0.00 H new ATOM 480 N ILE A 31 15.847 -2.912 -2.071 1.00 0.00 N ATOM 481 CA ILE A 31 16.245 -4.020 -2.885 1.00 0.00 C ATOM 482 C ILE A 31 15.840 -3.729 -4.297 1.00 0.00 C ATOM 483 O ILE A 31 16.639 -3.567 -5.212 1.00 0.00 O ATOM 484 CB ILE A 31 15.515 -5.294 -2.465 1.00 0.00 C ATOM 485 CG1 ILE A 31 15.143 -5.323 -0.995 1.00 0.00 C ATOM 486 CG2 ILE A 31 16.340 -6.488 -2.826 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.109 -6.173 -0.169 1.00 0.00 C ATOM 0 H ILE A 31 15.197 -3.129 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 31 17.321 -4.161 -2.781 1.00 0.00 H new ATOM 0 HB ILE A 31 14.571 -5.314 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 31 15.133 -4.305 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.132 -5.716 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.817 -7.396 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.505 -6.504 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.300 -6.435 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.800 -6.162 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.100 -7.198 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.116 -5.765 -0.254 1.00 0.00 H new ATOM 499 N GLY A 32 14.512 -3.683 -4.381 1.00 0.00 N ATOM 500 CA GLY A 32 13.913 -3.458 -5.664 1.00 0.00 C ATOM 501 C GLY A 32 13.619 -1.977 -5.889 1.00 0.00 C ATOM 502 O GLY A 32 14.362 -1.099 -5.469 1.00 0.00 O ATOM 0 H GLY A 32 13.864 -3.795 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.579 -3.821 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.988 -4.030 -5.741 1.00 0.00 H new ATOM 506 N SER A 33 12.495 -1.769 -6.587 1.00 0.00 N ATOM 507 CA SER A 33 12.099 -0.405 -6.872 1.00 0.00 C ATOM 508 C SER A 33 13.168 0.271 -7.726 1.00 0.00 C ATOM 509 O SER A 33 13.827 -0.367 -8.538 1.00 0.00 O ATOM 510 CB SER A 33 11.879 0.343 -5.563 1.00 0.00 C ATOM 511 OG SER A 33 13.098 0.788 -5.030 1.00 0.00 O ATOM 0 H SER A 33 11.876 -2.496 -6.946 1.00 0.00 H new ATOM 0 HA SER A 33 11.164 -0.396 -7.432 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.219 1.194 -5.732 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.380 -0.309 -4.846 1.00 0.00 H new ATOM 0 HG SER A 33 13.637 0.016 -4.758 1.00 0.00 H new ATOM 517 N LYS A 34 13.278 1.602 -7.498 1.00 0.00 N ATOM 518 CA LYS A 34 14.268 2.370 -8.247 1.00 0.00 C ATOM 519 C LYS A 34 13.657 2.886 -9.534 1.00 0.00 C ATOM 520 O LYS A 34 13.626 4.075 -9.830 1.00 0.00 O ATOM 521 CB LYS A 34 15.438 1.468 -8.609 1.00 0.00 C ATOM 522 CG LYS A 34 16.728 2.256 -8.788 1.00 0.00 C ATOM 523 CD LYS A 34 17.357 2.628 -7.445 1.00 0.00 C ATOM 524 CE LYS A 34 18.761 3.205 -7.625 1.00 0.00 C ATOM 525 NZ LYS A 34 19.681 2.246 -8.226 1.00 0.00 N ATOM 0 H LYS A 34 12.718 2.134 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 34 14.603 3.205 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.575 0.720 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.211 0.930 -9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.436 1.666 -9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.524 3.163 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.726 3.356 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.404 1.745 -6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.708 4.096 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.149 3.519 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.661 2.541 -8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.519 1.305 -7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.520 2.207 -9.253 1.00 0.00 H new ATOM 539 N THR A 35 13.181 1.879 -10.264 1.00 0.00 N ATOM 540 CA THR A 35 12.590 2.124 -11.565 1.00 0.00 C ATOM 541 C THR A 35 11.366 3.044 -11.517 1.00 0.00 C ATOM 542 O THR A 35 10.689 3.262 -12.514 1.00 0.00 O ATOM 543 CB THR A 35 12.194 0.776 -12.138 1.00 0.00 C ATOM 544 OG1 THR A 35 12.775 -0.261 -11.380 1.00 0.00 O ATOM 545 CG2 THR A 35 12.625 0.640 -13.585 1.00 0.00 C ATOM 0 H THR A 35 13.195 0.901 -9.976 1.00 0.00 H new ATOM 0 HA THR A 35 13.324 2.638 -12.185 1.00 0.00 H new ATOM 0 HB THR A 35 11.107 0.704 -12.093 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.513 -1.127 -11.756 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.325 -0.337 -13.964 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.152 1.421 -14.181 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.708 0.739 -13.653 1.00 0.00 H new ATOM 553 N ASN A 36 11.133 3.559 -10.317 1.00 0.00 N ATOM 554 CA ASN A 36 10.001 4.447 -10.148 1.00 0.00 C ATOM 555 C ASN A 36 8.758 3.750 -10.689 1.00 0.00 C ATOM 556 O ASN A 36 8.500 3.709 -11.885 1.00 0.00 O ATOM 557 CB ASN A 36 10.260 5.752 -10.892 1.00 0.00 C ATOM 558 CG ASN A 36 9.087 6.711 -10.683 1.00 0.00 C ATOM 559 OD1 ASN A 36 8.006 6.328 -10.252 1.00 0.00 O ATOM 560 ND2 ASN A 36 9.381 7.981 -11.017 1.00 0.00 N ATOM 0 H ASN A 36 11.689 3.385 -9.480 1.00 0.00 H new ATOM 0 HA ASN A 36 9.852 4.682 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.183 6.208 -10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.394 5.554 -11.955 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.675 8.711 -10.918 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.309 8.214 -11.369 1.00 0.00 H new ATOM 567 N GLY A 37 8.012 3.211 -9.717 1.00 0.00 N ATOM 568 CA GLY A 37 6.806 2.487 -10.080 1.00 0.00 C ATOM 569 C GLY A 37 6.605 1.242 -9.205 1.00 0.00 C ATOM 570 O GLY A 37 5.621 0.527 -9.336 1.00 0.00 O ATOM 0 H GLY A 37 8.215 3.262 -8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.943 3.145 -9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.861 2.190 -11.127 1.00 0.00 H new ATOM 574 N LYS A 38 7.592 1.024 -8.308 1.00 0.00 N ATOM 575 CA LYS A 38 7.467 -0.119 -7.445 1.00 0.00 C ATOM 576 C LYS A 38 6.739 0.322 -6.198 1.00 0.00 C ATOM 577 O LYS A 38 6.830 1.465 -5.767 1.00 0.00 O ATOM 578 CB LYS A 38 8.841 -0.658 -7.110 1.00 0.00 C ATOM 579 CG LYS A 38 8.789 -2.110 -6.647 1.00 0.00 C ATOM 580 CD LYS A 38 9.668 -2.991 -7.529 1.00 0.00 C ATOM 581 CE LYS A 38 10.040 -4.300 -6.835 1.00 0.00 C ATOM 582 NZ LYS A 38 10.886 -5.148 -7.666 1.00 0.00 N ATOM 0 H LYS A 38 8.426 1.597 -8.182 1.00 0.00 H new ATOM 0 HA LYS A 38 6.907 -0.917 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.484 -0.580 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.290 -0.045 -6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.121 -2.178 -5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.760 -2.469 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.145 -3.209 -8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.576 -2.449 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.557 -4.079 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.131 -4.842 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.111 -6.024 -7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.384 -5.383 -8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.767 -4.644 -7.893 1.00 0.00 H new ATOM 596 N PHE A 39 6.013 -0.644 -5.649 1.00 0.00 N ATOM 597 CA PHE A 39 5.258 -0.296 -4.465 1.00 0.00 C ATOM 598 C PHE A 39 4.853 -1.537 -3.675 1.00 0.00 C ATOM 599 O PHE A 39 4.934 -2.665 -4.135 1.00 0.00 O ATOM 600 CB PHE A 39 4.025 0.508 -4.898 1.00 0.00 C ATOM 601 CG PHE A 39 2.883 -0.388 -5.285 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.851 -1.018 -6.551 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.841 -0.629 -4.364 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.783 -1.881 -6.888 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.774 -1.488 -4.699 1.00 0.00 C ATOM 606 CZ PHE A 39 0.744 -2.114 -5.960 1.00 0.00 C ATOM 0 H PHE A 39 5.934 -1.606 -5.978 1.00 0.00 H new ATOM 0 HA PHE A 39 5.880 0.306 -3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.714 1.163 -4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.286 1.149 -5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.644 -0.839 -7.262 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.861 -0.152 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.762 -2.362 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.020 -1.666 -3.989 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.073 -2.772 -6.217 1.00 0.00 H new ATOM 616 N LEU A 40 4.387 -1.218 -2.459 1.00 0.00 N ATOM 617 CA LEU A 40 3.922 -2.278 -1.583 1.00 0.00 C ATOM 618 C LEU A 40 2.973 -1.686 -0.539 1.00 0.00 C ATOM 619 O LEU A 40 3.279 -0.707 0.131 1.00 0.00 O ATOM 620 CB LEU A 40 5.117 -2.959 -0.919 1.00 0.00 C ATOM 621 CG LEU A 40 5.764 -2.072 0.149 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.123 -2.310 1.517 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.269 -2.342 0.226 1.00 0.00 C ATOM 0 H LEU A 40 4.326 -0.273 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 40 3.382 -3.030 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.794 -3.896 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.858 -3.211 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 40 5.602 -1.032 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.599 -1.669 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.059 -2.077 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.253 -3.354 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.715 -1.704 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.438 -3.388 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.727 -2.127 -0.739 1.00 0.00 H new ATOM 635 N ILE A 41 1.802 -2.346 -0.453 1.00 0.00 N ATOM 636 CA ILE A 41 0.809 -1.888 0.508 1.00 0.00 C ATOM 637 C ILE A 41 0.917 -2.726 1.784 1.00 0.00 C ATOM 638 O ILE A 41 1.215 -3.914 1.753 1.00 0.00 O ATOM 639 CB ILE A 41 -0.587 -2.020 -0.098 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.622 -1.318 0.784 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.956 -3.492 -0.275 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.962 0.073 0.249 1.00 0.00 C ATOM 0 H ILE A 41 1.538 -3.157 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 41 0.987 -0.841 0.754 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.582 -1.542 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.528 -1.921 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.238 -1.234 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.954 -3.568 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.235 -3.971 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.943 -3.990 0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.700 0.543 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.059 0.684 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.370 -0.014 -0.758 1.00 0.00 H new ATOM 654 N ARG A 42 0.658 -2.023 2.902 1.00 0.00 N ATOM 655 CA ARG A 42 0.728 -2.704 4.183 1.00 0.00 C ATOM 656 C ARG A 42 -0.567 -2.470 4.962 1.00 0.00 C ATOM 657 O ARG A 42 -1.244 -1.461 4.805 1.00 0.00 O ATOM 658 CB ARG A 42 1.924 -2.174 4.966 1.00 0.00 C ATOM 659 CG ARG A 42 1.989 -2.776 6.370 1.00 0.00 C ATOM 660 CD ARG A 42 3.157 -2.201 7.171 1.00 0.00 C ATOM 661 NE ARG A 42 3.108 -0.749 7.162 1.00 0.00 N ATOM 662 CZ ARG A 42 3.714 -0.084 6.160 1.00 0.00 C ATOM 663 NH1 ARG A 42 4.349 -0.752 5.201 1.00 0.00 N ATOM 664 NH2 ARG A 42 3.677 1.245 6.128 1.00 0.00 N ATOM 0 H ARG A 42 0.411 -1.034 2.937 1.00 0.00 H new ATOM 0 HA ARG A 42 0.850 -3.776 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.843 -2.405 4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.861 -1.088 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.054 -2.580 6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.093 -3.859 6.299 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.118 -2.567 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.101 -2.542 6.746 1.00 0.00 H new ATOM 0 HE ARG A 42 2.623 -0.242 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.378 -1.771 5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.807 -0.245 4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.190 1.759 6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.136 1.750 5.370 1.00 0.00 H new ATOM 678 N ALA A 43 -0.861 -3.476 5.806 1.00 0.00 N ATOM 679 CA ALA A 43 -2.066 -3.379 6.614 1.00 0.00 C ATOM 680 C ALA A 43 -1.952 -4.331 7.804 1.00 0.00 C ATOM 681 O ALA A 43 -2.009 -5.547 7.666 1.00 0.00 O ATOM 682 CB ALA A 43 -3.283 -3.729 5.763 1.00 0.00 C ATOM 0 H ALA A 43 -0.305 -4.321 5.936 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.183 -2.361 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.185 -3.656 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.353 -3.036 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.182 -4.746 5.385 1.00 0.00 H new ATOM 688 N ARG A 44 -1.789 -3.694 8.977 1.00 0.00 N ATOM 689 CA ARG A 44 -1.666 -4.491 10.188 1.00 0.00 C ATOM 690 C ARG A 44 -3.013 -4.556 10.909 1.00 0.00 C ATOM 691 O ARG A 44 -3.423 -5.592 11.418 1.00 0.00 O ATOM 692 CB ARG A 44 -0.603 -3.879 11.096 1.00 0.00 C ATOM 693 CG ARG A 44 -0.150 -4.871 12.168 1.00 0.00 C ATOM 694 CD ARG A 44 0.743 -5.961 11.576 1.00 0.00 C ATOM 695 NE ARG A 44 0.570 -7.205 12.302 1.00 0.00 N ATOM 696 CZ ARG A 44 0.843 -7.230 13.620 1.00 0.00 C ATOM 697 NH1 ARG A 44 1.264 -6.129 14.235 1.00 0.00 N ATOM 698 NH2 ARG A 44 0.693 -8.359 14.307 1.00 0.00 N ATOM 0 H ARG A 44 -1.742 -2.683 9.102 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.365 -5.505 9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.254 -3.569 10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.000 -2.982 11.572 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.391 -4.341 12.952 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.022 -5.327 12.636 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.498 -6.109 10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.786 -5.649 11.620 1.00 0.00 H new ATOM 0 HE ARG A 44 0.247 -8.045 11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.381 -5.263 13.708 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.470 -6.150 15.234 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.372 -9.204 13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.899 -8.380 15.306 1.00 0.00 H new ATOM 712 N ASP A 45 -3.665 -3.380 10.918 1.00 0.00 N ATOM 713 CA ASP A 45 -4.958 -3.304 11.573 1.00 0.00 C ATOM 714 C ASP A 45 -4.794 -3.623 13.057 1.00 0.00 C ATOM 715 O ASP A 45 -4.571 -4.760 13.455 1.00 0.00 O ATOM 716 CB ASP A 45 -5.919 -4.288 10.913 1.00 0.00 C ATOM 717 CG ASP A 45 -7.241 -4.322 11.683 1.00 0.00 C ATOM 718 OD1 ASP A 45 -7.238 -4.758 12.834 1.00 0.00 O ATOM 719 OD2 ASP A 45 -8.256 -3.912 11.124 1.00 0.00 O ATOM 0 H ASP A 45 -3.329 -2.514 10.497 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.367 -2.298 11.475 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.098 -3.996 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.475 -5.283 10.891 1.00 0.00 H new ATOM 724 N ASN A 46 -4.919 -2.539 13.844 1.00 0.00 N ATOM 725 CA ASN A 46 -4.782 -2.704 15.281 1.00 0.00 C ATOM 726 C ASN A 46 -5.041 -1.366 15.976 1.00 0.00 C ATOM 727 O ASN A 46 -6.160 -1.042 16.354 1.00 0.00 O ATOM 728 CB ASN A 46 -3.382 -3.228 15.608 1.00 0.00 C ATOM 729 CG ASN A 46 -2.330 -2.480 14.783 1.00 0.00 C ATOM 730 OD1 ASN A 46 -2.607 -1.476 14.138 1.00 0.00 O ATOM 731 ND2 ASN A 46 -1.111 -3.043 14.850 1.00 0.00 N ATOM 0 H ASN A 46 -5.105 -1.590 13.521 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.513 -3.428 15.641 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.178 -3.102 16.671 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.327 -4.296 15.398 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.330 -2.632 14.338 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.967 -3.881 15.413 1.00 0.00 H new ATOM 738 N ASN A 47 -3.932 -0.616 16.117 1.00 0.00 N ATOM 739 CA ASN A 47 -4.048 0.679 16.765 1.00 0.00 C ATOM 740 C ASN A 47 -4.073 1.782 15.708 1.00 0.00 C ATOM 741 O ASN A 47 -4.895 2.689 15.740 1.00 0.00 O ATOM 742 CB ASN A 47 -2.870 0.877 17.716 1.00 0.00 C ATOM 743 CG ASN A 47 -2.893 2.297 18.285 1.00 0.00 C ATOM 744 OD1 ASN A 47 -3.708 2.642 19.132 1.00 0.00 O ATOM 745 ND2 ASN A 47 -1.942 3.088 17.758 1.00 0.00 N ATOM 0 H ASN A 47 -2.996 -0.876 15.805 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.975 0.723 17.337 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -2.920 0.150 18.527 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.932 0.702 17.189 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.860 4.058 18.061 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.303 2.718 17.055 1.00 0.00 H new ATOM 752 N GLY A 48 -3.118 1.637 14.772 1.00 0.00 N ATOM 753 CA GLY A 48 -3.032 2.623 13.711 1.00 0.00 C ATOM 754 C GLY A 48 -3.939 2.248 12.536 1.00 0.00 C ATOM 755 O GLY A 48 -5.067 1.803 12.706 1.00 0.00 O ATOM 0 H GLY A 48 -2.432 0.883 14.736 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.317 3.602 14.096 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.001 2.703 13.367 1.00 0.00 H new ATOM 759 N SER A 49 -3.362 2.459 11.339 1.00 0.00 N ATOM 760 CA SER A 49 -4.117 2.145 10.138 1.00 0.00 C ATOM 761 C SER A 49 -3.181 1.543 9.090 1.00 0.00 C ATOM 762 O SER A 49 -2.132 0.992 9.400 1.00 0.00 O ATOM 763 CB SER A 49 -4.776 3.415 9.605 1.00 0.00 C ATOM 764 OG SER A 49 -3.824 4.434 9.435 1.00 0.00 O ATOM 0 H SER A 49 -2.422 2.827 11.191 1.00 0.00 H new ATOM 0 HA SER A 49 -4.895 1.418 10.369 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.265 3.205 8.654 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.551 3.746 10.296 1.00 0.00 H new ATOM 0 HG SER A 49 -4.276 5.303 9.405 1.00 0.00 H new ATOM 770 N TYR A 50 -3.634 1.690 7.831 1.00 0.00 N ATOM 771 CA TYR A 50 -2.836 1.156 6.737 1.00 0.00 C ATOM 772 C TYR A 50 -2.059 2.296 6.083 1.00 0.00 C ATOM 773 O TYR A 50 -2.255 3.466 6.389 1.00 0.00 O ATOM 774 CB TYR A 50 -3.746 0.474 5.710 1.00 0.00 C ATOM 775 CG TYR A 50 -4.647 -0.553 6.341 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.342 -1.105 7.612 1.00 0.00 C ATOM 777 CD2 TYR A 50 -5.821 -0.977 5.669 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.199 -2.065 8.198 1.00 0.00 C ATOM 779 CE2 TYR A 50 -6.676 -1.936 6.256 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.364 -2.480 7.521 1.00 0.00 C ATOM 781 OH TYR A 50 -7.199 -3.417 8.095 1.00 0.00 O ATOM 0 H TYR A 50 -4.504 2.151 7.564 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.135 0.416 7.121 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.353 1.228 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.134 -0.004 4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.451 -0.790 8.135 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.063 -0.564 4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.961 -2.481 9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.569 -2.253 5.737 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.829 -4.314 7.955 1.00 0.00 H new ATOM 791 N ALA A 51 -1.169 1.879 5.163 1.00 0.00 N ATOM 792 CA ALA A 51 -0.378 2.883 4.474 1.00 0.00 C ATOM 793 C ALA A 51 0.370 2.253 3.298 1.00 0.00 C ATOM 794 O ALA A 51 1.015 1.218 3.413 1.00 0.00 O ATOM 795 CB ALA A 51 0.606 3.518 5.453 1.00 0.00 C ATOM 0 H ALA A 51 -0.994 0.910 4.899 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.040 3.656 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.199 4.271 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.056 3.987 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.266 2.750 5.855 1.00 0.00 H new ATOM 801 N LEU A 52 0.228 2.962 2.164 1.00 0.00 N ATOM 802 CA LEU A 52 0.891 2.512 0.954 1.00 0.00 C ATOM 803 C LEU A 52 2.358 2.938 1.012 1.00 0.00 C ATOM 804 O LEU A 52 2.687 4.031 1.438 1.00 0.00 O ATOM 805 CB LEU A 52 0.181 3.137 -0.252 1.00 0.00 C ATOM 806 CG LEU A 52 1.151 3.570 -1.354 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.933 2.368 -1.884 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.378 4.234 -2.489 1.00 0.00 C ATOM 0 H LEU A 52 -0.321 3.816 2.071 1.00 0.00 H new ATOM 0 HA LEU A 52 0.848 1.427 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.529 2.419 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.395 4.001 0.079 1.00 0.00 H new ATOM 0 HG LEU A 52 1.860 4.285 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.617 2.696 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.501 1.916 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.239 1.634 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.072 4.541 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.343 3.528 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.148 5.109 -2.108 1.00 0.00 H new ATOM 820 N CYS A 53 3.213 2.004 0.567 1.00 0.00 N ATOM 821 CA CYS A 53 4.634 2.317 0.584 1.00 0.00 C ATOM 822 C CYS A 53 5.250 1.951 -0.742 1.00 0.00 C ATOM 823 O CYS A 53 5.253 0.808 -1.169 1.00 0.00 O ATOM 824 CB CYS A 53 5.321 1.568 1.722 1.00 0.00 C ATOM 825 SG CYS A 53 4.271 1.405 3.187 1.00 0.00 S ATOM 0 H CYS A 53 2.959 1.082 0.213 1.00 0.00 H new ATOM 0 HA CYS A 53 4.767 3.386 0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.610 0.576 1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.238 2.091 1.994 1.00 0.00 H new ATOM 0 HG CYS A 53 3.431 0.429 3.012 1.00 0.00 H new ATOM 831 N LEU A 54 5.788 3.008 -1.354 1.00 0.00 N ATOM 832 CA LEU A 54 6.372 2.814 -2.637 1.00 0.00 C ATOM 833 C LEU A 54 7.635 3.674 -2.783 1.00 0.00 C ATOM 834 O LEU A 54 7.993 4.410 -1.877 1.00 0.00 O ATOM 835 CB LEU A 54 5.255 3.125 -3.625 1.00 0.00 C ATOM 836 CG LEU A 54 5.070 4.610 -4.029 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.594 4.988 -3.894 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.894 5.587 -3.186 1.00 0.00 C ATOM 0 H LEU A 54 5.822 3.958 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 54 6.733 1.801 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.433 2.546 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.317 2.770 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 54 5.421 4.693 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.458 6.032 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.995 4.354 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.276 4.848 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.712 6.606 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.604 5.498 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.954 5.353 -3.290 1.00 0.00 H new ATOM 850 N LEU A 55 8.295 3.553 -3.957 1.00 0.00 N ATOM 851 CA LEU A 55 9.502 4.354 -4.108 1.00 0.00 C ATOM 852 C LEU A 55 9.434 5.208 -5.365 1.00 0.00 C ATOM 853 O LEU A 55 8.927 4.802 -6.404 1.00 0.00 O ATOM 854 CB LEU A 55 10.716 3.442 -4.176 1.00 0.00 C ATOM 855 CG LEU A 55 12.025 4.227 -4.021 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.526 4.220 -2.585 1.00 0.00 C ATOM 857 CD2 LEU A 55 13.103 3.639 -4.913 1.00 0.00 C ATOM 0 H LEU A 55 8.033 2.959 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 55 9.586 5.015 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.649 2.688 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.720 2.912 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 55 11.813 5.256 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.455 4.787 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.777 4.675 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.705 3.193 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.025 4.207 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.278 2.599 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.781 3.688 -5.953 1.00 0.00 H new ATOM 869 N HIS A 56 9.983 6.423 -5.189 1.00 0.00 N ATOM 870 CA HIS A 56 10.019 7.337 -6.313 1.00 0.00 C ATOM 871 C HIS A 56 11.190 6.946 -7.230 1.00 0.00 C ATOM 872 O HIS A 56 11.037 6.203 -8.191 1.00 0.00 O ATOM 873 CB HIS A 56 10.175 8.764 -5.791 1.00 0.00 C ATOM 874 CG HIS A 56 10.336 9.720 -6.951 1.00 0.00 C ATOM 875 ND1 HIS A 56 9.842 9.498 -8.188 1.00 0.00 N ATOM 876 CD2 HIS A 56 11.007 10.957 -6.963 1.00 0.00 C ATOM 877 CE1 HIS A 56 10.196 10.559 -8.935 1.00 0.00 C ATOM 878 NE2 HIS A 56 10.899 11.453 -8.217 1.00 0.00 N ATOM 0 H HIS A 56 10.386 6.771 -4.319 1.00 0.00 H new ATOM 0 HA HIS A 56 9.094 7.283 -6.887 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.303 9.041 -5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 56 11.042 8.827 -5.133 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.512 11.422 -6.129 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.947 10.678 -9.979 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.279 12.338 -8.554 1.00 0.00 H new ATOM 886 N GLU A 57 12.363 7.501 -6.862 1.00 0.00 N ATOM 887 CA GLU A 57 13.570 7.202 -7.641 1.00 0.00 C ATOM 888 C GLU A 57 14.742 6.818 -6.714 1.00 0.00 C ATOM 889 O GLU A 57 15.873 6.634 -7.147 1.00 0.00 O ATOM 890 CB GLU A 57 13.955 8.435 -8.442 1.00 0.00 C ATOM 891 CG GLU A 57 12.771 8.999 -9.221 1.00 0.00 C ATOM 892 CD GLU A 57 12.996 8.805 -10.723 1.00 0.00 C ATOM 893 OE1 GLU A 57 14.021 9.262 -11.226 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.143 8.200 -11.370 1.00 0.00 O ATOM 0 H GLU A 57 12.494 8.128 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 57 13.361 6.362 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.344 9.199 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.758 8.182 -9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.852 8.500 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.648 10.059 -8.997 1.00 0.00 H new ATOM 901 N GLY A 58 14.386 6.717 -5.425 1.00 0.00 N ATOM 902 CA GLY A 58 15.386 6.386 -4.421 1.00 0.00 C ATOM 903 C GLY A 58 15.081 7.103 -3.094 1.00 0.00 C ATOM 904 O GLY A 58 15.964 7.453 -2.320 1.00 0.00 O ATOM 0 H GLY A 58 13.441 6.856 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.406 5.308 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.375 6.674 -4.777 1.00 0.00 H new ATOM 908 N LYS A 59 13.764 7.283 -2.910 1.00 0.00 N ATOM 909 CA LYS A 59 13.264 7.926 -1.728 1.00 0.00 C ATOM 910 C LYS A 59 11.939 7.247 -1.451 1.00 0.00 C ATOM 911 O LYS A 59 10.922 7.519 -2.081 1.00 0.00 O ATOM 912 CB LYS A 59 13.066 9.421 -1.957 1.00 0.00 C ATOM 913 CG LYS A 59 14.266 10.059 -2.659 1.00 0.00 C ATOM 914 CD LYS A 59 13.994 10.275 -4.147 1.00 0.00 C ATOM 915 CE LYS A 59 13.871 11.762 -4.485 1.00 0.00 C ATOM 916 NZ LYS A 59 15.159 12.444 -4.467 1.00 0.00 N ATOM 0 H LYS A 59 13.046 6.988 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 59 13.958 7.837 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.169 9.580 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.902 9.915 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.499 11.014 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.142 9.421 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.800 9.833 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.076 9.760 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.419 11.872 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.200 12.240 -3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.024 13.448 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.581 12.364 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.793 12.007 -5.166 1.00 0.00 H new ATOM 930 N VAL A 60 12.029 6.337 -0.491 1.00 0.00 N ATOM 931 CA VAL A 60 10.849 5.575 -0.172 1.00 0.00 C ATOM 932 C VAL A 60 9.798 6.484 0.432 1.00 0.00 C ATOM 933 O VAL A 60 10.079 7.404 1.192 1.00 0.00 O ATOM 934 CB VAL A 60 11.194 4.468 0.812 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.150 5.006 2.235 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.212 3.309 0.673 1.00 0.00 C ATOM 0 H VAL A 60 12.865 6.121 0.052 1.00 0.00 H new ATOM 0 HA VAL A 60 10.458 5.130 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 60 12.199 4.109 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.398 4.207 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.871 5.817 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.149 5.380 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.472 2.525 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.201 3.662 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.260 2.911 -0.341 1.00 0.00 H new ATOM 946 N LEU A 61 8.575 6.130 0.052 1.00 0.00 N ATOM 947 CA LEU A 61 7.450 6.888 0.533 1.00 0.00 C ATOM 948 C LEU A 61 6.482 5.987 1.250 1.00 0.00 C ATOM 949 O LEU A 61 6.498 4.767 1.139 1.00 0.00 O ATOM 950 CB LEU A 61 6.757 7.582 -0.631 1.00 0.00 C ATOM 951 CG LEU A 61 7.780 8.320 -1.471 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.105 9.146 -2.565 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.607 9.200 -0.549 1.00 0.00 C ATOM 0 H LEU A 61 8.351 5.350 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 61 7.807 7.642 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.231 6.849 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.008 8.280 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 61 8.428 7.603 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.864 9.664 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.531 8.487 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.437 9.877 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.351 9.741 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.954 9.912 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.110 8.579 0.192 1.00 0.00 H new ATOM 965 N HIS A 62 5.641 6.695 1.993 1.00 0.00 N ATOM 966 CA HIS A 62 4.632 5.991 2.754 1.00 0.00 C ATOM 967 C HIS A 62 3.395 6.868 2.889 1.00 0.00 C ATOM 968 O HIS A 62 3.402 7.875 3.566 1.00 0.00 O ATOM 969 CB HIS A 62 5.180 5.657 4.141 1.00 0.00 C ATOM 970 CG HIS A 62 6.262 4.611 4.034 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.502 4.851 3.556 1.00 0.00 N ATOM 972 CD2 HIS A 62 6.196 3.262 4.421 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.173 3.691 3.647 1.00 0.00 C ATOM 974 NE2 HIS A 62 7.406 2.717 4.166 1.00 0.00 N ATOM 0 H HIS A 62 5.638 7.711 2.081 1.00 0.00 H new ATOM 0 HA HIS A 62 4.366 5.068 2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.579 6.557 4.609 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.375 5.295 4.781 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.340 2.756 4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.200 3.558 3.341 1.00 0.00 H new ATOM 0 HE2 HIS A 62 7.684 1.750 4.335 1.00 0.00 H new ATOM 982 N TYR A 63 2.340 6.435 2.190 1.00 0.00 N ATOM 983 CA TYR A 63 1.111 7.186 2.282 1.00 0.00 C ATOM 984 C TYR A 63 0.183 6.484 3.266 1.00 0.00 C ATOM 985 O TYR A 63 0.018 5.273 3.233 1.00 0.00 O ATOM 986 CB TYR A 63 0.440 7.230 0.913 1.00 0.00 C ATOM 987 CG TYR A 63 1.233 8.009 -0.089 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.372 9.414 0.025 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.839 7.344 -1.181 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.105 10.131 -0.939 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.570 8.067 -2.141 1.00 0.00 C ATOM 992 CZ TYR A 63 2.705 9.461 -2.022 1.00 0.00 C ATOM 993 OH TYR A 63 3.420 10.170 -2.965 1.00 0.00 O ATOM 0 H TYR A 63 2.320 5.612 1.588 1.00 0.00 H new ATOM 0 HA TYR A 63 1.321 8.201 2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.299 6.213 0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.551 7.674 1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.915 9.936 0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.740 6.273 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.208 11.202 -0.847 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.028 7.550 -2.971 1.00 0.00 H new ATOM 0 HH TYR A 63 3.768 9.554 -3.643 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.408 7.309 4.143 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.329 6.723 5.095 1.00 0.00 C ATOM 1005 C ARG A 64 -2.607 6.363 4.352 1.00 0.00 C ATOM 1006 O ARG A 64 -2.837 6.791 3.232 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.625 7.701 6.224 1.00 0.00 C ATOM 1008 CG ARG A 64 -2.713 7.178 7.163 1.00 0.00 C ATOM 1009 CD ARG A 64 -2.746 7.967 8.471 1.00 0.00 C ATOM 1010 NE ARG A 64 -3.006 9.370 8.204 1.00 0.00 N ATOM 1011 CZ ARG A 64 -2.752 10.270 9.172 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -2.272 9.870 10.347 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -2.980 11.562 8.954 1.00 0.00 N ATOM 0 H ARG A 64 -0.271 8.318 4.206 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.890 5.830 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.713 7.886 6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.938 8.657 5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.683 7.245 6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.536 6.124 7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.518 7.565 9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.796 7.859 8.993 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.374 9.668 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.096 8.880 10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.080 10.554 11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.347 11.870 8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.788 12.245 9.687 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.411 5.563 5.059 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.671 5.130 4.464 1.00 0.00 C ATOM 1029 C ILE A 65 -5.530 4.440 5.519 1.00 0.00 C ATOM 1030 O ILE A 65 -5.176 3.401 6.062 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.403 4.164 3.303 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -4.103 4.931 2.016 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.604 3.241 3.083 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.621 4.858 1.652 1.00 0.00 C ATOM 0 H ILE A 65 -3.223 5.217 6.000 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.200 6.004 4.083 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.533 3.561 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.699 4.522 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.398 5.973 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.395 2.563 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.789 2.663 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.484 3.839 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.445 5.414 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.027 5.291 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.333 3.817 1.507 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.681 5.086 5.767 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.597 4.513 6.726 1.00 0.00 C ATOM 1048 C ASP A 66 -9.021 4.890 6.353 1.00 0.00 C ATOM 1049 O ASP A 66 -9.281 5.596 5.391 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.272 5.019 8.121 1.00 0.00 C ATOM 1051 CG ASP A 66 -7.975 4.154 9.171 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -7.897 2.931 9.071 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -8.591 4.715 10.076 1.00 0.00 O ATOM 0 H ASP A 66 -6.977 5.961 5.334 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.498 3.428 6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.194 4.997 8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.588 6.057 8.223 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.906 4.404 7.222 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.299 4.638 7.030 1.00 0.00 C ATOM 1060 C LYS A 67 -11.685 6.063 7.388 1.00 0.00 C ATOM 1061 O LYS A 67 -10.903 6.851 7.903 1.00 0.00 O ATOM 1062 CB LYS A 67 -12.013 3.696 7.979 1.00 0.00 C ATOM 1063 CG LYS A 67 -12.919 2.757 7.235 1.00 0.00 C ATOM 1064 CD LYS A 67 -14.383 3.061 7.478 1.00 0.00 C ATOM 1065 CE LYS A 67 -14.695 3.213 8.968 1.00 0.00 C ATOM 1066 NZ LYS A 67 -13.995 2.230 9.785 1.00 0.00 N ATOM 0 H LYS A 67 -9.668 3.856 8.049 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.563 4.478 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.280 3.124 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.594 4.273 8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.709 2.822 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.707 1.732 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.655 3.978 6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.994 2.262 7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.418 4.216 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.769 3.112 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.553 2.027 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.866 1.354 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.066 2.606 10.061 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.965 6.318 7.068 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.521 7.621 7.362 1.00 0.00 C ATOM 1082 C ASP A 68 -14.852 7.417 8.081 1.00 0.00 C ATOM 1083 O ASP A 68 -15.867 8.012 7.743 1.00 0.00 O ATOM 1084 CB ASP A 68 -13.732 8.380 6.058 1.00 0.00 C ATOM 1085 CG ASP A 68 -12.517 9.261 5.763 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -11.981 9.855 6.697 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -12.119 9.344 4.601 1.00 0.00 O ATOM 0 H ASP A 68 -13.602 5.658 6.623 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.847 8.198 7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.889 7.677 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.629 8.995 6.127 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.773 6.523 9.092 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.979 6.198 9.847 1.00 0.00 C ATOM 1094 C LYS A 69 -17.175 6.140 8.898 1.00 0.00 C ATOM 1095 O LYS A 69 -18.278 6.575 9.204 1.00 0.00 O ATOM 1096 CB LYS A 69 -16.204 7.227 10.954 1.00 0.00 C ATOM 1097 CG LYS A 69 -16.355 8.642 10.393 1.00 0.00 C ATOM 1098 CD LYS A 69 -14.997 9.274 10.092 1.00 0.00 C ATOM 1099 CE LYS A 69 -14.710 10.457 11.018 1.00 0.00 C ATOM 1100 NZ LYS A 69 -14.796 10.090 12.426 1.00 0.00 N ATOM 0 H LYS A 69 -13.924 6.039 9.386 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.861 5.222 10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -17.098 6.963 11.519 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.366 7.200 11.651 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.953 8.611 9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.895 9.262 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.213 8.525 10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.972 9.608 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.715 10.848 10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.418 11.259 10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.212 10.740 12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.785 10.151 12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.452 9.117 12.553 1.00 0.00 H new ATOM 1114 N THR A 70 -16.858 5.565 7.729 1.00 0.00 N ATOM 1115 CA THR A 70 -17.852 5.420 6.707 1.00 0.00 C ATOM 1116 C THR A 70 -18.098 3.938 6.430 1.00 0.00 C ATOM 1117 O THR A 70 -19.191 3.522 6.065 1.00 0.00 O ATOM 1118 CB THR A 70 -17.303 6.089 5.458 1.00 0.00 C ATOM 1119 OG1 THR A 70 -17.687 7.441 5.435 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.771 5.394 4.192 1.00 0.00 C ATOM 0 H THR A 70 -15.934 5.205 7.489 1.00 0.00 H new ATOM 0 HA THR A 70 -18.795 5.872 7.013 1.00 0.00 H new ATOM 0 HB THR A 70 -16.216 6.015 5.491 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.203 7.930 6.133 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.356 5.904 3.322 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.434 4.357 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.860 5.421 4.143 1.00 0.00 H new ATOM 1128 N GLY A 71 -17.006 3.170 6.625 1.00 0.00 N ATOM 1129 CA GLY A 71 -17.112 1.757 6.350 1.00 0.00 C ATOM 1130 C GLY A 71 -16.145 1.317 5.239 1.00 0.00 C ATOM 1131 O GLY A 71 -15.964 0.136 4.967 1.00 0.00 O ATOM 0 H GLY A 71 -16.097 3.497 6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.902 1.193 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.135 1.520 6.057 1.00 0.00 H new ATOM 1135 N LYS A 72 -15.546 2.352 4.628 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.610 2.093 3.553 1.00 0.00 C ATOM 1137 C LYS A 72 -13.293 2.810 3.851 1.00 0.00 C ATOM 1138 O LYS A 72 -13.261 3.870 4.464 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.204 2.586 2.235 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.636 2.089 2.037 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.188 2.513 0.675 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.672 2.174 0.537 1.00 0.00 C ATOM 1143 NZ LYS A 72 -19.234 2.653 -0.721 1.00 0.00 N ATOM 0 H LYS A 72 -15.693 3.335 4.857 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.419 1.023 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.191 3.676 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.583 2.245 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.661 1.002 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.273 2.483 2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.046 3.585 0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.626 2.017 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.804 1.094 0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.222 2.614 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.242 2.400 -0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.133 3.687 -0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.728 2.214 -1.517 1.00 0.00 H new ATOM 1157 N LEU A 73 -12.217 2.177 3.345 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.905 2.749 3.572 1.00 0.00 C ATOM 1159 C LEU A 73 -10.707 3.920 2.617 1.00 0.00 C ATOM 1160 O LEU A 73 -11.333 4.014 1.570 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.839 1.689 3.306 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.897 0.542 4.312 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.906 -0.555 3.919 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.591 1.053 5.722 1.00 0.00 C ATOM 0 H LEU A 73 -12.238 1.312 2.804 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.822 3.094 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.968 1.293 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.853 2.152 3.343 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.904 0.124 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.956 -1.368 4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.158 -0.935 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.896 -0.145 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.636 0.223 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.593 1.492 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.325 1.808 6.003 1.00 0.00 H new ATOM 1176 N SER A 74 -9.802 4.804 3.050 1.00 0.00 N ATOM 1177 CA SER A 74 -9.528 5.961 2.220 1.00 0.00 C ATOM 1178 C SER A 74 -8.118 6.480 2.484 1.00 0.00 C ATOM 1179 O SER A 74 -7.317 5.875 3.186 1.00 0.00 O ATOM 1180 CB SER A 74 -10.557 7.048 2.515 1.00 0.00 C ATOM 1181 OG SER A 74 -11.852 6.599 2.206 1.00 0.00 O ATOM 0 H SER A 74 -9.277 4.742 3.922 1.00 0.00 H new ATOM 0 HA SER A 74 -9.596 5.676 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.505 7.330 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.327 7.941 1.934 1.00 0.00 H new ATOM 0 HG SER A 74 -12.511 7.148 2.681 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.886 7.649 1.865 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.590 8.284 2.007 1.00 0.00 C ATOM 1189 C ILE A 75 -6.802 9.774 2.265 1.00 0.00 C ATOM 1190 O ILE A 75 -7.682 10.403 1.690 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.805 8.101 0.710 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.955 6.678 0.170 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.327 8.442 0.900 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.775 6.301 -0.732 1.00 0.00 C ATOM 0 H ILE A 75 -8.559 8.149 1.284 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.038 7.839 2.835 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.223 8.793 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.020 5.976 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.886 6.595 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.797 8.301 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.231 9.480 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.897 7.788 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.909 5.284 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.727 6.990 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.848 6.361 -0.162 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.950 10.316 3.162 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.994 11.722 3.501 1.00 0.00 C ATOM 1208 C PRO A 76 -5.980 12.590 2.248 1.00 0.00 C ATOM 1209 O PRO A 76 -6.881 13.377 1.985 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.737 11.977 4.336 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.101 10.607 4.625 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.913 9.568 3.849 1.00 0.00 C ATOM 0 HA PRO A 76 -6.907 11.972 4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.040 12.619 3.797 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.989 12.489 5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.057 10.592 4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.118 10.391 5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.284 9.029 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.345 8.826 4.521 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.889 12.380 1.500 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.733 13.126 0.260 1.00 0.00 C ATOM 1222 C GLU A 77 -4.938 12.217 -0.970 1.00 0.00 C ATOM 1223 O GLU A 77 -5.051 12.689 -2.095 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.347 13.761 0.233 1.00 0.00 C ATOM 1225 CG GLU A 77 -3.149 14.716 1.411 1.00 0.00 C ATOM 1226 CD GLU A 77 -1.833 15.476 1.245 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -1.073 15.138 0.340 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -1.585 16.398 2.021 1.00 0.00 O ATOM 0 H GLU A 77 -4.136 11.729 1.723 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.494 13.905 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.587 12.981 0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.211 14.302 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.981 15.418 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.142 14.157 2.347 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.976 10.895 -0.690 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.170 9.958 -1.787 1.00 0.00 C ATOM 1237 C GLY A 78 -6.606 10.032 -2.323 1.00 0.00 C ATOM 1238 O GLY A 78 -7.017 11.011 -2.935 1.00 0.00 O ATOM 0 H GLY A 78 -4.880 10.482 0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.466 10.180 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.956 8.945 -1.447 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.334 8.929 -2.048 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.712 8.867 -2.498 1.00 0.00 C ATOM 1244 C LYS A 79 -9.589 8.210 -1.427 1.00 0.00 C ATOM 1245 O LYS A 79 -9.449 8.436 -0.231 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.771 8.062 -3.791 1.00 0.00 C ATOM 1247 CG LYS A 79 -10.001 8.415 -4.620 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.602 9.012 -5.967 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.829 9.375 -6.804 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.596 10.468 -6.218 1.00 0.00 N ATOM 0 H LYS A 79 -6.998 8.111 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.086 9.875 -2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.871 8.249 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.783 6.998 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.605 7.522 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.621 9.125 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.994 9.902 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.985 8.299 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.511 9.655 -7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.469 8.499 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.326 10.780 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.050 10.142 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.960 11.263 -6.004 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.497 7.384 -1.967 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.427 6.662 -1.106 1.00 0.00 C ATOM 1266 C LYS A 80 -11.777 5.327 -1.769 1.00 0.00 C ATOM 1267 O LYS A 80 -12.283 5.280 -2.884 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.685 7.500 -0.893 1.00 0.00 C ATOM 1269 CG LYS A 80 -12.407 8.706 0.001 1.00 0.00 C ATOM 1270 CD LYS A 80 -13.663 9.544 0.229 1.00 0.00 C ATOM 1271 CE LYS A 80 -13.382 10.712 1.172 1.00 0.00 C ATOM 1272 NZ LYS A 80 -14.595 11.431 1.546 1.00 0.00 N ATOM 0 H LYS A 80 -10.602 7.206 -2.966 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.971 6.473 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.065 7.840 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.463 6.883 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.018 8.365 0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.634 9.326 -0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.029 9.923 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.451 8.917 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.892 10.339 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.687 11.402 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.351 12.214 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.050 11.811 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.249 10.781 2.027 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.476 4.249 -1.017 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.745 2.937 -1.560 1.00 0.00 C ATOM 1288 C PHE A 81 -12.503 2.068 -0.562 1.00 0.00 C ATOM 1289 O PHE A 81 -12.643 2.385 0.612 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.420 2.292 -1.890 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.747 3.012 -3.012 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.159 2.788 -4.346 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.700 3.928 -2.752 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.533 3.470 -5.409 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.071 4.611 -3.818 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.488 4.381 -5.147 1.00 0.00 C ATOM 0 H PHE A 81 -11.068 4.271 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.366 3.035 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.777 2.299 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.576 1.248 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.958 2.091 -4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.380 4.106 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.854 3.295 -6.425 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.272 5.309 -3.616 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.008 4.902 -5.962 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.952 0.929 -1.123 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.695 -0.013 -0.307 1.00 0.00 C ATOM 1308 C ASP A 82 -12.720 -0.859 0.509 1.00 0.00 C ATOM 1309 O ASP A 82 -12.866 -1.025 1.714 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.553 -0.901 -1.203 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.322 -1.909 -0.347 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.957 -1.494 0.621 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.277 -3.098 -0.658 1.00 0.00 O ATOM 0 H ASP A 82 -12.815 0.658 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.349 0.528 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.250 -0.290 -1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.923 -1.425 -1.922 1.00 0.00 H new ATOM 1318 N THR A 83 -11.718 -1.383 -0.225 1.00 0.00 N ATOM 1319 CA THR A 83 -10.734 -2.198 0.442 1.00 0.00 C ATOM 1320 C THR A 83 -9.389 -1.937 -0.212 1.00 0.00 C ATOM 1321 O THR A 83 -9.291 -1.306 -1.257 1.00 0.00 O ATOM 1322 CB THR A 83 -11.118 -3.673 0.327 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.153 -4.042 -1.029 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.475 -3.957 0.970 1.00 0.00 C ATOM 0 H THR A 83 -11.587 -1.255 -1.228 1.00 0.00 H new ATOM 0 HA THR A 83 -10.681 -1.949 1.502 1.00 0.00 H new ATOM 0 HB THR A 83 -10.368 -4.259 0.858 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.397 -4.988 -1.104 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.712 -5.016 0.867 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.439 -3.694 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.244 -3.364 0.475 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.364 -2.461 0.465 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.039 -2.293 -0.040 1.00 0.00 C ATOM 1334 C LEU A 84 -6.851 -2.948 -1.406 1.00 0.00 C ATOM 1335 O LEU A 84 -5.797 -2.868 -2.016 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.135 -2.951 0.967 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.440 -1.945 1.871 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.423 -2.659 2.752 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.767 -0.855 1.044 1.00 0.00 C ATOM 0 H LEU A 84 -8.441 -2.986 1.336 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.819 -1.234 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.718 -3.641 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.385 -3.544 0.444 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.185 -1.470 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.928 -1.934 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.932 -3.403 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.681 -3.152 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.275 -0.145 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.027 -1.305 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.517 -0.335 0.448 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.932 -3.592 -1.831 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.895 -4.256 -3.119 1.00 0.00 C ATOM 1353 C TRP A 85 -8.259 -3.269 -4.207 1.00 0.00 C ATOM 1354 O TRP A 85 -7.799 -3.346 -5.340 1.00 0.00 O ATOM 1355 CB TRP A 85 -8.912 -5.384 -3.112 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.215 -6.698 -3.352 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.734 -7.139 -4.582 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -7.910 -7.703 -2.387 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.147 -8.363 -4.424 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.233 -8.751 -3.082 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -8.147 -7.801 -1.022 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -6.803 -9.882 -2.403 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -7.711 -8.952 -0.318 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -7.039 -9.994 -1.010 1.00 0.00 C ATOM 0 H TRP A 85 -8.812 -3.666 -1.321 1.00 0.00 H new ATOM 0 HA TRP A 85 -6.895 -4.649 -3.305 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.436 -5.408 -2.156 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.663 -5.214 -3.883 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.812 -6.599 -5.514 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.713 -8.909 -5.169 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -8.660 -7.006 -0.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.292 -10.672 -2.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -7.890 -9.036 0.744 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -6.708 -10.872 -0.475 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.110 -2.338 -3.776 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.556 -1.342 -4.722 1.00 0.00 C ATOM 1377 C GLN A 86 -8.576 -0.191 -4.737 1.00 0.00 C ATOM 1378 O GLN A 86 -8.227 0.343 -5.772 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.961 -0.868 -4.359 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.964 -2.021 -4.375 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.050 -2.615 -5.783 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -11.406 -2.158 -6.719 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.891 -3.662 -5.862 1.00 0.00 N ATOM 0 H GLN A 86 -9.482 -2.259 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.598 -1.775 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.947 -0.410 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.279 -0.098 -5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.660 -2.789 -3.664 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.945 -1.666 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.390 -3.979 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.030 -4.139 -6.753 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.151 0.151 -3.528 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.196 1.229 -3.441 1.00 0.00 C ATOM 1394 C LEU A 87 -5.887 0.823 -4.113 1.00 0.00 C ATOM 1395 O LEU A 87 -5.174 1.646 -4.663 1.00 0.00 O ATOM 1396 CB LEU A 87 -6.989 1.566 -1.963 1.00 0.00 C ATOM 1397 CG LEU A 87 -5.978 2.687 -1.735 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.008 3.112 -0.267 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.570 2.233 -2.120 1.00 0.00 C ATOM 0 H LEU A 87 -8.435 -0.277 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.565 2.113 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.945 1.854 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.654 0.672 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.247 3.535 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.286 3.912 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.006 3.467 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.753 2.260 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.866 3.047 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.286 1.374 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.553 1.953 -3.173 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.633 -0.494 -4.063 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.429 -0.979 -4.655 1.00 0.00 C ATOM 1413 C VAL A 88 -4.601 -1.126 -6.149 1.00 0.00 C ATOM 1414 O VAL A 88 -3.778 -0.686 -6.927 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.099 -2.334 -4.075 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.204 -3.080 -5.044 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.431 -2.188 -2.713 1.00 0.00 C ATOM 0 H VAL A 88 -6.233 -1.198 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.628 -0.270 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.018 -2.902 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.960 -4.060 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.721 -3.204 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.286 -2.514 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.202 -3.175 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.509 -1.616 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.104 -1.668 -2.032 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.703 -1.809 -6.496 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.916 -2.043 -7.908 1.00 0.00 C ATOM 1429 C GLU A 89 -6.101 -0.736 -8.636 1.00 0.00 C ATOM 1430 O GLU A 89 -5.563 -0.510 -9.713 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.119 -2.927 -8.104 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.396 -2.275 -7.617 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.196 -1.734 -8.803 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.794 -2.534 -9.521 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.216 -0.519 -8.995 1.00 0.00 O ATOM 0 H GLU A 89 -6.408 -2.181 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.039 -2.543 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.219 -3.172 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.967 -3.866 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.995 -2.999 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.160 -1.464 -6.928 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.895 0.110 -7.983 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.145 1.388 -8.618 1.00 0.00 C ATOM 1444 C HIS A 90 -5.837 2.062 -8.889 1.00 0.00 C ATOM 1445 O HIS A 90 -5.498 2.423 -10.000 1.00 0.00 O ATOM 1446 CB HIS A 90 -7.990 2.283 -7.735 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.642 3.342 -8.593 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.889 3.241 -9.104 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -8.099 4.572 -9.003 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -10.105 4.368 -9.802 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.039 5.188 -9.757 1.00 0.00 N ATOM 0 H HIS A 90 -7.344 -0.052 -7.082 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.686 1.212 -9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.750 1.695 -7.219 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.371 2.748 -6.967 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -10.538 2.463 -8.983 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.118 4.953 -8.762 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.019 4.588 -10.333 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.148 2.224 -7.781 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.860 2.859 -7.871 1.00 0.00 C ATOM 1461 C TYR A 91 -2.949 2.054 -8.799 1.00 0.00 C ATOM 1462 O TYR A 91 -2.026 2.584 -9.402 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.261 3.004 -6.491 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.736 4.276 -5.847 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.094 4.674 -5.965 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.839 5.097 -5.123 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.544 5.870 -5.366 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.294 6.295 -4.526 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.643 6.679 -4.646 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.082 7.850 -4.063 1.00 0.00 O ATOM 0 H TYR A 91 -5.443 1.938 -6.848 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.971 3.858 -8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.541 2.150 -5.874 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.173 3.007 -6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.787 4.057 -6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.803 4.807 -5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.579 6.165 -5.460 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.604 6.918 -3.976 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.941 7.692 -3.618 1.00 0.00 H new ATOM 1480 N SER A 92 -3.258 0.741 -8.888 1.00 0.00 N ATOM 1481 CA SER A 92 -2.461 -0.070 -9.791 1.00 0.00 C ATOM 1482 C SER A 92 -2.600 0.480 -11.216 1.00 0.00 C ATOM 1483 O SER A 92 -1.840 0.157 -12.120 1.00 0.00 O ATOM 1484 CB SER A 92 -2.982 -1.484 -9.732 1.00 0.00 C ATOM 1485 OG SER A 92 -1.929 -2.413 -9.682 1.00 0.00 O ATOM 0 H SER A 92 -4.001 0.261 -8.380 1.00 0.00 H new ATOM 0 HA SER A 92 -1.409 -0.048 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.618 -1.604 -8.855 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.604 -1.682 -10.605 1.00 0.00 H new ATOM 0 HG SER A 92 -2.295 -3.321 -9.643 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.635 1.331 -11.330 1.00 0.00 N ATOM 1492 CA TYR A 93 -3.930 1.939 -12.605 1.00 0.00 C ATOM 1493 C TYR A 93 -3.166 3.236 -12.722 1.00 0.00 C ATOM 1494 O TYR A 93 -2.429 3.482 -13.664 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.420 2.253 -12.673 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.275 1.046 -12.406 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.732 -0.260 -12.493 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.637 1.209 -12.060 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.543 -1.389 -12.239 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.449 0.079 -11.806 1.00 0.00 C ATOM 1501 CZ TYR A 93 -7.901 -1.219 -11.895 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.693 -2.321 -11.645 1.00 0.00 O ATOM 0 H TYR A 93 -4.257 1.598 -10.567 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.648 1.259 -13.409 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.658 3.031 -11.947 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.659 2.653 -13.658 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.693 -0.393 -12.755 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.059 2.201 -11.989 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.124 -2.382 -12.308 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.489 0.209 -11.544 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.502 -2.041 -11.167 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.480 4.061 -11.715 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.878 5.354 -11.620 1.00 0.00 C ATOM 1514 C LYS A 94 -2.368 5.631 -10.221 1.00 0.00 C ATOM 1515 O LYS A 94 -2.441 4.827 -9.305 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.957 6.360 -11.904 1.00 0.00 C ATOM 1517 CG LYS A 94 -5.215 6.062 -11.072 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.382 6.963 -11.472 1.00 0.00 C ATOM 1519 CE LYS A 94 -7.110 6.413 -12.700 1.00 0.00 C ATOM 1520 NZ LYS A 94 -8.161 7.306 -13.170 1.00 0.00 N ATOM 0 H LYS A 94 -4.143 3.840 -10.972 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.041 5.408 -12.317 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.594 7.363 -11.677 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.205 6.344 -12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.499 5.018 -11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.993 6.201 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.081 7.048 -10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.014 7.967 -11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.391 6.249 -13.502 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.543 5.443 -12.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.624 6.889 -14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.864 7.443 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.747 8.224 -13.428 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.851 6.850 -10.155 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.352 7.343 -8.887 1.00 0.00 C ATOM 1536 C ALA A 95 -2.542 7.844 -8.058 1.00 0.00 C ATOM 1537 O ALA A 95 -2.673 7.564 -6.874 1.00 0.00 O ATOM 1538 CB ALA A 95 -0.355 8.472 -9.135 1.00 0.00 C ATOM 0 H ALA A 95 -1.769 7.496 -10.940 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.841 6.549 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.020 8.842 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.477 8.098 -9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.849 9.283 -9.670 1.00 0.00 H new ATOM 1544 N ASP A 96 -3.404 8.592 -8.776 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.593 9.136 -8.119 1.00 0.00 C ATOM 1546 C ASP A 96 -4.237 10.275 -7.162 1.00 0.00 C ATOM 1547 O ASP A 96 -5.092 10.995 -6.662 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.305 8.026 -7.364 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.682 7.736 -7.977 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.087 8.446 -8.896 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.336 6.800 -7.522 1.00 0.00 O ATOM 0 H ASP A 96 -3.302 8.822 -9.765 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.250 9.544 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.697 7.121 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.422 8.310 -6.318 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.932 10.376 -6.951 1.00 0.00 N ATOM 1557 CA GLY A 97 -2.438 11.412 -6.062 1.00 0.00 C ATOM 1558 C GLY A 97 -0.990 11.153 -5.617 1.00 0.00 C ATOM 1559 O GLY A 97 -0.304 12.046 -5.134 1.00 0.00 O ATOM 0 H GLY A 97 -2.220 9.776 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.495 12.377 -6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.081 11.472 -5.184 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.585 9.875 -5.785 1.00 0.00 N ATOM 1564 CA LEU A 98 0.763 9.520 -5.399 1.00 0.00 C ATOM 1565 C LEU A 98 1.724 10.440 -6.145 1.00 0.00 C ATOM 1566 O LEU A 98 1.374 11.528 -6.584 1.00 0.00 O ATOM 1567 CB LEU A 98 1.043 8.073 -5.805 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.046 7.121 -5.335 1.00 0.00 C ATOM 1569 CD1 LEU A 98 0.065 5.786 -6.060 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.053 6.927 -3.826 1.00 0.00 C ATOM 0 H LEU A 98 -1.153 9.119 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 98 0.888 9.623 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.132 8.013 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.001 7.760 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.020 7.552 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.722 5.116 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.042 5.945 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.038 5.340 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.729 6.244 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.028 6.510 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.069 7.888 -3.327 1.00 0.00 H new ATOM 1582 N LEU A 99 2.954 9.925 -6.275 1.00 0.00 N ATOM 1583 CA LEU A 99 3.928 10.667 -7.023 1.00 0.00 C ATOM 1584 C LEU A 99 3.822 10.179 -8.463 1.00 0.00 C ATOM 1585 O LEU A 99 3.717 10.945 -9.414 1.00 0.00 O ATOM 1586 CB LEU A 99 5.317 10.393 -6.464 1.00 0.00 C ATOM 1587 CG LEU A 99 6.386 11.126 -7.256 1.00 0.00 C ATOM 1588 CD1 LEU A 99 7.630 11.355 -6.399 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.731 10.311 -8.493 1.00 0.00 C ATOM 0 H LEU A 99 3.271 9.037 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 99 3.755 11.741 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.359 10.703 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.515 9.321 -6.487 1.00 0.00 H new ATOM 0 HG LEU A 99 6.007 12.102 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.384 11.881 -6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.366 11.953 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.029 10.394 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.498 10.830 -9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.103 9.332 -8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.839 10.187 -9.107 1.00 0.00 H new ATOM 1601 N ARG A 100 3.854 8.834 -8.534 1.00 0.00 N ATOM 1602 CA ARG A 100 3.744 8.182 -9.810 1.00 0.00 C ATOM 1603 C ARG A 100 2.952 6.887 -9.623 1.00 0.00 C ATOM 1604 O ARG A 100 3.010 6.240 -8.585 1.00 0.00 O ATOM 1605 CB ARG A 100 5.139 7.880 -10.317 1.00 0.00 C ATOM 1606 CG ARG A 100 5.219 7.971 -11.842 1.00 0.00 C ATOM 1607 CD ARG A 100 6.664 7.941 -12.336 1.00 0.00 C ATOM 1608 NE ARG A 100 6.707 8.125 -13.775 1.00 0.00 N ATOM 1609 CZ ARG A 100 7.844 8.575 -14.338 1.00 0.00 C ATOM 1610 NH1 ARG A 100 8.903 8.845 -13.580 1.00 0.00 N ATOM 1611 NH2 ARG A 100 7.909 8.751 -15.655 1.00 0.00 N ATOM 0 H ARG A 100 3.953 8.210 -7.733 1.00 0.00 H new ATOM 0 HA ARG A 100 3.231 8.816 -10.533 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.847 8.580 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.435 6.881 -9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.666 7.143 -12.285 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.739 8.891 -12.177 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.240 8.725 -11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.127 6.991 -12.070 1.00 0.00 H new ATOM 0 HE ARG A 100 5.890 7.917 -14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.855 8.711 -12.570 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.763 9.186 -14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.098 8.545 -16.238 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.770 9.092 -16.082 1.00 0.00 H new ATOM 1625 N VAL A 101 2.210 6.563 -10.690 1.00 0.00 N ATOM 1626 CA VAL A 101 1.417 5.363 -10.655 1.00 0.00 C ATOM 1627 C VAL A 101 2.247 4.202 -10.103 1.00 0.00 C ATOM 1628 O VAL A 101 3.432 4.321 -9.817 1.00 0.00 O ATOM 1629 CB VAL A 101 1.016 5.032 -12.076 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -0.142 4.070 -12.073 1.00 0.00 C ATOM 1631 CG2 VAL A 101 0.656 6.298 -12.860 1.00 0.00 C ATOM 0 H VAL A 101 2.152 7.104 -11.553 1.00 0.00 H new ATOM 0 HA VAL A 101 0.544 5.514 -10.020 1.00 0.00 H new ATOM 0 HB VAL A 101 1.867 4.564 -12.570 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.424 3.837 -13.100 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.148 3.153 -11.560 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.989 4.522 -11.558 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.372 6.028 -13.877 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.178 6.803 -12.373 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.517 6.965 -12.889 1.00 0.00 H new ATOM 1641 N LEU A 102 1.527 3.079 -9.989 1.00 0.00 N ATOM 1642 CA LEU A 102 2.163 1.856 -9.544 1.00 0.00 C ATOM 1643 C LEU A 102 2.465 1.036 -10.779 1.00 0.00 C ATOM 1644 O LEU A 102 1.837 1.175 -11.822 1.00 0.00 O ATOM 1645 CB LEU A 102 1.227 1.086 -8.631 1.00 0.00 C ATOM 1646 CG LEU A 102 0.953 1.821 -7.316 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.419 3.229 -7.565 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.047 1.034 -6.481 1.00 0.00 C ATOM 0 H LEU A 102 0.531 3.002 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 102 3.075 2.074 -8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.284 0.910 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.659 0.109 -8.414 1.00 0.00 H new ATOM 0 HG LEU A 102 1.896 1.906 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.235 3.722 -6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.152 3.801 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.512 3.171 -8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.237 1.563 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.980 0.928 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.359 0.046 -6.263 1.00 0.00 H new ATOM 1660 N THR A 103 3.461 0.181 -10.593 1.00 0.00 N ATOM 1661 CA THR A 103 3.864 -0.632 -11.710 1.00 0.00 C ATOM 1662 C THR A 103 4.288 -2.032 -11.254 1.00 0.00 C ATOM 1663 O THR A 103 4.058 -3.024 -11.935 1.00 0.00 O ATOM 1664 CB THR A 103 5.014 0.104 -12.397 1.00 0.00 C ATOM 1665 OG1 THR A 103 4.573 0.627 -13.624 1.00 0.00 O ATOM 1666 CG2 THR A 103 6.224 -0.784 -12.622 1.00 0.00 C ATOM 0 H THR A 103 3.976 0.041 -9.724 1.00 0.00 H new ATOM 0 HA THR A 103 3.034 -0.779 -12.401 1.00 0.00 H new ATOM 0 HB THR A 103 5.326 0.910 -11.733 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.311 1.100 -14.062 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.010 -0.210 -13.113 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.588 -1.152 -11.663 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.944 -1.628 -13.252 1.00 0.00 H new ATOM 1674 N VAL A 104 4.919 -2.050 -10.066 1.00 0.00 N ATOM 1675 CA VAL A 104 5.403 -3.351 -9.573 1.00 0.00 C ATOM 1676 C VAL A 104 5.235 -3.496 -8.060 1.00 0.00 C ATOM 1677 O VAL A 104 5.347 -2.538 -7.307 1.00 0.00 O ATOM 1678 CB VAL A 104 6.900 -3.470 -9.885 1.00 0.00 C ATOM 1679 CG1 VAL A 104 7.468 -4.800 -9.382 1.00 0.00 C ATOM 1680 CG2 VAL A 104 7.176 -3.345 -11.384 1.00 0.00 C ATOM 0 H VAL A 104 5.097 -1.243 -9.467 1.00 0.00 H new ATOM 0 HA VAL A 104 4.816 -4.127 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 104 7.392 -2.648 -9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.531 -4.854 -9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.332 -4.869 -8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.946 -5.625 -9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.247 -3.434 -11.565 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.650 -4.136 -11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.828 -2.375 -11.738 1.00 0.00 H new ATOM 1690 N PRO A 105 4.956 -4.769 -7.650 1.00 0.00 N ATOM 1691 CA PRO A 105 4.861 -5.123 -6.248 1.00 0.00 C ATOM 1692 C PRO A 105 6.278 -5.179 -5.671 1.00 0.00 C ATOM 1693 O PRO A 105 7.200 -5.669 -6.308 1.00 0.00 O ATOM 1694 CB PRO A 105 4.204 -6.504 -6.207 1.00 0.00 C ATOM 1695 CG PRO A 105 4.234 -7.042 -7.647 1.00 0.00 C ATOM 1696 CD PRO A 105 4.640 -5.868 -8.551 1.00 0.00 C ATOM 0 HA PRO A 105 4.282 -4.406 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.742 -7.170 -5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.180 -6.436 -5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.944 -7.864 -7.738 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.257 -7.432 -7.935 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.500 -6.128 -9.168 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.831 -5.598 -9.229 1.00 0.00 H new ATOM 1704 N CYS A 106 6.397 -4.660 -4.446 1.00 0.00 N ATOM 1705 CA CYS A 106 7.732 -4.586 -3.876 1.00 0.00 C ATOM 1706 C CYS A 106 8.121 -5.815 -3.071 1.00 0.00 C ATOM 1707 O CYS A 106 9.007 -6.572 -3.446 1.00 0.00 O ATOM 1708 CB CYS A 106 7.820 -3.355 -2.995 1.00 0.00 C ATOM 1709 SG CYS A 106 9.364 -2.442 -3.229 1.00 0.00 S ATOM 0 H CYS A 106 5.636 -4.307 -3.866 1.00 0.00 H new ATOM 0 HA CYS A 106 8.433 -4.531 -4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.977 -2.698 -3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.733 -3.653 -1.950 1.00 0.00 H new ATOM 0 HG CYS A 106 10.368 -3.265 -3.167 1.00 0.00 H new ATOM 1715 N GLN A 107 7.421 -5.939 -1.932 1.00 0.00 N ATOM 1716 CA GLN A 107 7.742 -7.008 -1.028 1.00 0.00 C ATOM 1717 C GLN A 107 8.184 -8.261 -1.740 1.00 0.00 C ATOM 1718 O GLN A 107 7.922 -8.519 -2.909 1.00 0.00 O ATOM 1719 CB GLN A 107 6.577 -7.288 -0.124 1.00 0.00 C ATOM 1720 CG GLN A 107 7.026 -7.374 1.330 1.00 0.00 C ATOM 1721 CD GLN A 107 7.759 -8.689 1.597 1.00 0.00 C ATOM 1722 OE1 GLN A 107 7.432 -9.736 1.053 1.00 0.00 O ATOM 1723 NE2 GLN A 107 8.769 -8.556 2.473 1.00 0.00 N ATOM 0 H GLN A 107 6.659 -5.327 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 107 8.591 -6.679 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.830 -6.502 -0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.100 -8.223 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.681 -6.534 1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.160 -7.295 1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.974 -7.644 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.331 -9.367 2.731 1.00 0.00 H new ATOM 1732 N LYS A 108 8.865 -9.010 -0.891 1.00 0.00 N ATOM 1733 CA LYS A 108 9.450 -10.248 -1.305 1.00 0.00 C ATOM 1734 C LYS A 108 8.424 -11.328 -1.575 1.00 0.00 C ATOM 1735 O LYS A 108 7.216 -11.133 -1.513 1.00 0.00 O ATOM 1736 CB LYS A 108 10.388 -10.670 -0.201 1.00 0.00 C ATOM 1737 CG LYS A 108 11.679 -9.910 -0.351 1.00 0.00 C ATOM 1738 CD LYS A 108 12.504 -9.904 0.932 1.00 0.00 C ATOM 1739 CE LYS A 108 12.967 -11.310 1.313 1.00 0.00 C ATOM 1740 NZ LYS A 108 13.851 -11.310 2.473 1.00 0.00 N ATOM 0 H LYS A 108 9.020 -8.772 0.089 1.00 0.00 H new ATOM 0 HA LYS A 108 9.972 -10.105 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.941 -10.468 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.573 -11.743 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.267 -10.353 -1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.461 -8.883 -0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.372 -9.257 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.911 -9.484 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.097 -11.932 1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.484 -11.761 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.137 -12.286 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.696 -10.740 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.351 -10.905 3.290 1.00 0.00 H new ATOM 1754 N ILE A 109 9.028 -12.485 -1.881 1.00 0.00 N ATOM 1755 CA ILE A 109 8.219 -13.648 -2.191 1.00 0.00 C ATOM 1756 C ILE A 109 8.165 -14.578 -0.982 1.00 0.00 C ATOM 1757 O ILE A 109 7.104 -14.945 -0.490 1.00 0.00 O ATOM 1758 CB ILE A 109 8.820 -14.361 -3.401 1.00 0.00 C ATOM 1759 CG1 ILE A 109 7.932 -15.529 -3.833 1.00 0.00 C ATOM 1760 CG2 ILE A 109 10.237 -14.856 -3.101 1.00 0.00 C ATOM 1761 CD1 ILE A 109 8.381 -16.105 -5.176 1.00 0.00 C ATOM 0 H ILE A 109 10.037 -12.629 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 109 7.200 -13.343 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 109 8.876 -13.642 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.960 -16.310 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.898 -15.193 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.640 -15.360 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.872 -14.008 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.209 -15.554 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.729 -16.933 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.328 -15.330 -5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.407 -16.463 -5.093 1.00 0.00 H new ATOM 1773 N GLY A 110 9.381 -14.926 -0.545 1.00 0.00 N ATOM 1774 CA GLY A 110 9.484 -15.810 0.598 1.00 0.00 C ATOM 1775 C GLY A 110 9.551 -17.273 0.153 1.00 0.00 C ATOM 1776 O GLY A 110 10.580 -17.766 -0.294 1.00 0.00 O ATOM 0 H GLY A 110 10.265 -14.620 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.373 -15.561 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 110 8.626 -15.664 1.254 1.00 0.00 H new ATOM 1780 N THR A 111 8.385 -17.928 0.308 1.00 0.00 N ATOM 1781 CA THR A 111 8.317 -19.325 -0.081 1.00 0.00 C ATOM 1782 C THR A 111 7.532 -19.458 -1.383 1.00 0.00 C ATOM 1783 O THR A 111 7.930 -20.148 -2.314 1.00 0.00 O ATOM 1784 CB THR A 111 7.655 -20.137 1.034 1.00 0.00 C ATOM 1785 OG1 THR A 111 8.122 -21.461 0.983 1.00 0.00 O ATOM 1786 CG2 THR A 111 6.131 -20.131 0.921 1.00 0.00 C ATOM 0 H THR A 111 7.525 -17.527 0.681 1.00 0.00 H new ATOM 0 HA THR A 111 9.324 -19.710 -0.242 1.00 0.00 H new ATOM 0 HB THR A 111 7.918 -19.675 1.985 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.701 -21.984 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 111 5.704 -20.720 1.733 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.765 -19.106 0.984 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.835 -20.563 -0.035 1.00 0.00 H new ATOM 1794 N GLN A 112 6.394 -18.748 -1.379 1.00 0.00 N ATOM 1795 CA GLN A 112 5.547 -18.789 -2.540 1.00 0.00 C ATOM 1796 C GLN A 112 5.121 -17.369 -2.913 1.00 0.00 C ATOM 1797 O GLN A 112 5.320 -16.979 -4.063 1.00 0.00 O ATOM 1798 CB GLN A 112 4.329 -19.646 -2.222 1.00 0.00 C ATOM 1799 CG GLN A 112 4.614 -21.132 -2.445 1.00 0.00 C ATOM 1800 CD GLN A 112 3.714 -21.676 -3.557 1.00 0.00 C ATOM 1801 OE1 GLN A 112 2.521 -21.405 -3.616 1.00 0.00 O ATOM 1802 NE2 GLN A 112 4.373 -22.460 -4.429 1.00 0.00 N ATOM 1803 OXT GLN A 112 4.593 -16.669 -2.050 1.00 0.00 O ATOM 0 H GLN A 112 6.063 -18.166 -0.609 1.00 0.00 H new ATOM 0 HA GLN A 112 6.083 -19.221 -3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.029 -19.484 -1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 112 3.492 -19.337 -2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.661 -21.274 -2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.442 -21.686 -1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 112 5.370 -22.634 -4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.875 -22.880 -5.214 1.00 0.00 H new TER 1812 GLN A 112 HETATM 1813 C ACE B 0 2.948 11.296 9.441 1.00 0.00 C HETATM 1814 O ACE B 0 2.998 12.165 8.579 1.00 0.00 O HETATM 1815 CH3 ACE B 0 1.816 11.231 10.460 1.00 0.00 C HETATM 0 H1 ACE B 0 1.294 10.279 10.363 1.00 0.00 H new HETATM 0 H2 ACE B 0 2.226 11.319 11.466 1.00 0.00 H new HETATM 0 H3 ACE B 0 1.117 12.048 10.280 1.00 0.00 H new ATOM 1819 N THR B 1 3.844 10.311 9.599 1.00 0.00 N ATOM 1820 CA THR B 1 4.890 10.166 8.609 1.00 0.00 C ATOM 1821 C THR B 1 4.287 9.617 7.322 1.00 0.00 C ATOM 1822 O THR B 1 4.253 8.417 7.084 1.00 0.00 O ATOM 1823 CB THR B 1 5.959 9.218 9.143 1.00 0.00 C ATOM 1824 OG1 THR B 1 6.992 9.961 9.746 1.00 0.00 O ATOM 1825 CG2 THR B 1 6.541 8.333 8.041 1.00 0.00 C ATOM 0 H THR B 1 3.860 9.639 10.367 1.00 0.00 H new ATOM 0 HA THR B 1 5.348 11.133 8.401 1.00 0.00 H new ATOM 0 HB THR B 1 5.486 8.566 9.878 1.00 0.00 H new ATOM 0 HG1 THR B 1 7.677 9.350 10.090 1.00 0.00 H new ATOM 0 HG21 THR B 1 7.298 7.674 8.466 1.00 0.00 H new ATOM 0 HG22 THR B 1 5.746 7.734 7.597 1.00 0.00 H new ATOM 0 HG23 THR B 1 6.995 8.959 7.273 1.00 0.00 H new HETATM 1833 N PTR B 2 3.792 10.563 6.516 1.00 0.00 N HETATM 1834 CA PTR B 2 3.192 10.128 5.270 1.00 0.00 C HETATM 1835 C PTR B 2 3.367 11.142 4.160 1.00 0.00 C HETATM 1836 O PTR B 2 3.164 12.340 4.316 1.00 0.00 O HETATM 1837 CB PTR B 2 1.723 9.820 5.501 1.00 0.00 C HETATM 1838 CG PTR B 2 1.647 8.722 6.492 1.00 0.00 C HETATM 1839 CD1 PTR B 2 1.883 7.389 6.082 1.00 0.00 C HETATM 1840 CD2 PTR B 2 1.501 9.021 7.867 1.00 0.00 C HETATM 1841 CE1 PTR B 2 1.982 6.366 7.032 1.00 0.00 C HETATM 1842 CE2 PTR B 2 1.600 8.001 8.825 1.00 0.00 C HETATM 1843 CZ PTR B 2 1.839 6.677 8.401 1.00 0.00 C HETATM 1844 OH PTR B 2 1.940 5.654 9.353 1.00 0.00 O HETATM 1845 P PTR B 2 3.080 5.750 10.414 1.00 0.00 P HETATM 1846 O1P PTR B 2 2.704 6.973 11.287 1.00 0.00 O HETATM 1847 O2P PTR B 2 4.352 6.084 9.593 1.00 0.00 O HETATM 1848 O3P PTR B 2 3.227 4.492 11.217 1.00 0.00 O HETATM 0 HE2 PTR B 2 1.493 8.229 9.886 1.00 0.00 H new HETATM 0 HE1 PTR B 2 2.168 5.339 6.717 1.00 0.00 H new HETATM 0 HD2 PTR B 2 1.311 10.047 8.183 1.00 0.00 H new HETATM 0 HD1 PTR B 2 1.988 7.158 5.022 1.00 0.00 H new HETATM 0 HB3 PTR B 2 1.199 10.703 5.867 1.00 0.00 H new HETATM 0 HB2 PTR B 2 1.242 9.528 4.568 1.00 0.00 H new HETATM 0 HA PTR B 2 3.707 9.225 4.943 1.00 0.00 H new HETATM 0 H PTR B 2 4.264 11.466 6.567 1.00 0.00 H new ATOM 1857 N GLU B 3 3.761 10.550 3.024 1.00 0.00 N ATOM 1858 CA GLU B 3 3.947 11.376 1.845 1.00 0.00 C ATOM 1859 C GLU B 3 2.604 11.980 1.494 1.00 0.00 C ATOM 1860 O GLU B 3 1.574 11.618 2.050 1.00 0.00 O ATOM 1861 CB GLU B 3 4.505 10.566 0.689 1.00 0.00 C ATOM 1862 CG GLU B 3 6.009 10.315 0.834 1.00 0.00 C ATOM 1863 CD GLU B 3 6.703 11.470 1.560 1.00 0.00 C ATOM 1864 OE1 GLU B 3 6.597 12.604 1.095 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.341 11.222 2.582 1.00 0.00 O ATOM 0 H GLU B 3 3.947 9.554 2.906 1.00 0.00 H new ATOM 0 HA GLU B 3 4.672 12.164 2.048 1.00 0.00 H new ATOM 0 HB2 GLU B 3 3.983 9.611 0.631 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.314 11.092 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.173 9.388 1.383 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.454 10.184 -0.152 1.00 0.00 H new ATOM 1872 N THR B 4 2.667 12.922 0.547 1.00 0.00 N ATOM 1873 CA THR B 4 1.428 13.563 0.179 1.00 0.00 C ATOM 1874 C THR B 4 0.911 13.039 -1.145 1.00 0.00 C ATOM 1875 O THR B 4 1.475 13.239 -2.215 1.00 0.00 O ATOM 1876 CB THR B 4 1.627 15.072 0.143 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.925 15.364 -0.318 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.421 15.707 1.518 1.00 0.00 C ATOM 0 H THR B 4 3.506 13.233 0.058 1.00 0.00 H new ATOM 0 HA THR B 4 0.672 13.329 0.928 1.00 0.00 H new ATOM 0 HB THR B 4 0.882 15.490 -0.534 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.053 16.335 -0.343 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.572 16.784 1.448 1.00 0.00 H new ATOM 0 HG22 THR B 4 0.407 15.505 1.864 1.00 0.00 H new ATOM 0 HG23 THR B 4 2.136 15.285 2.224 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.219 12.351 -0.960 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.888 11.746 -2.064 1.00 0.00 C ATOM 1888 C LEU B 5 -1.716 12.796 -2.802 1.00 0.00 C ATOM 1889 O LEU B 5 -2.886 12.599 -3.109 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.768 10.640 -1.511 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.372 9.332 -2.137 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.707 8.163 -1.241 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.076 9.187 -3.452 1.00 0.00 C ATOM 0 H LEU B 5 -0.670 12.212 -0.056 1.00 0.00 H new ATOM 0 HA LEU B 5 -0.177 11.329 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.664 10.584 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.816 10.854 -1.720 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.292 9.333 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.406 7.235 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.176 8.266 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.781 8.144 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.794 8.240 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.154 9.206 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.793 10.009 -4.109 1.00 0.00 H new HETATM 1905 N NH2 B 6 -1.028 13.922 -3.059 1.00 0.00 N TER 1908 NH2 B 6