USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot 157:sc= 1.08 USER MOD Set 1.2: A 43 ASN : amide:sc= 1.2 K(o=2.3,f=0.18) USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0.338 USER MOD Set 2.2: A 39 HIS :FLIP no HE2:sc= 0.361 F(o=-2.4,f=0.7) USER MOD Set 3.1: A 25 SER OG : rot 82:sc= 0.721 USER MOD Set 3.2: A 33 LYS NZ :NH3+ -152:sc= 1.13 (180deg=-0.0117) USER MOD Set 4.1: A 13 ASN : amide:sc= 1.05 K(o=2.3,f=1.2) USER MOD Set 4.2: A 17 TYR OH : rot -151:sc= 1.26 USER MOD Set 5.1: A 9 TYR OH : rot 180:sc= -0.0577 USER MOD Set 5.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 176:sc= -0.0124 (180deg=-0.0209) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-3.5!) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc=-0.00414 (180deg=-0.139) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.00328 K(o=0.0033,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 0.573 (180deg=0.433) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.21) USER MOD Single : A 29 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.15) USER MOD Single : A 30 SER OG : rot 180:sc=-0.00873 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -130:sc= -0.0146 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 144:sc= -0.56 (180deg=-2.11!) USER MOD Single : A 47 ASN : amide:sc= 0.177 K(o=0.18,f=-4.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 166:sc= -0.509 (180deg=-0.732) USER MOD Single : A 55 ASN : amide:sc= -0.0519 X(o=-0.052,f=-0.052) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.07) USER MOD Single : A 65 THR OG1 : rot 77:sc= 1.3 USER MOD Single : A 72 HIS : no HD1:sc= -0.0937 X(o=-0.094,f=-0.091) USER MOD Single : A 73 HIS : no HE2:sc= 1.15 K(o=1.2,f=-5!) USER MOD Single : A 74 HIS : no HD1:sc= -0.0055 X(o=-0.0055,f=-0.0055) USER MOD Single : A 75 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 77 HIS : no HE2:sc= 0.0102 K(o=0.01,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.105 19.721 -8.996 1.00 0.00 N ATOM 2 CA MET A 1 6.304 18.635 -8.443 1.00 0.00 C ATOM 3 C MET A 1 4.868 19.087 -8.271 1.00 0.00 C ATOM 4 O MET A 1 4.542 19.787 -7.308 1.00 0.00 O ATOM 5 CB MET A 1 6.889 18.147 -7.102 1.00 0.00 C ATOM 6 CG MET A 1 6.037 17.105 -6.391 1.00 0.00 C ATOM 7 SD MET A 1 6.726 16.593 -4.807 1.00 0.00 S ATOM 8 CE MET A 1 5.374 15.599 -4.176 1.00 0.00 C ATOM 0 H1 MET A 1 8.089 19.403 -9.111 1.00 0.00 H new ATOM 0 H2 MET A 1 6.721 19.999 -9.921 1.00 0.00 H new ATOM 0 H3 MET A 1 7.078 20.536 -8.350 1.00 0.00 H new ATOM 0 HA MET A 1 6.326 17.797 -9.140 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.880 17.729 -7.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.020 19.005 -6.442 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.037 17.508 -6.232 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.930 16.231 -7.034 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.667 15.146 -3.229 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.499 16.231 -4.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.133 14.815 -4.894 1.00 0.00 H new ATOM 20 N LEU A 2 4.018 18.735 -9.220 1.00 0.00 N ATOM 21 CA LEU A 2 2.616 19.078 -9.144 1.00 0.00 C ATOM 22 C LEU A 2 1.766 18.112 -9.963 1.00 0.00 C ATOM 23 O LEU A 2 1.494 18.335 -11.150 1.00 0.00 O ATOM 24 CB LEU A 2 2.347 20.536 -9.574 1.00 0.00 C ATOM 25 CG LEU A 2 0.893 21.016 -9.462 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.414 20.985 -8.016 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.749 22.409 -10.042 1.00 0.00 C ATOM 0 H LEU A 2 4.280 18.210 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 2 2.328 18.989 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.973 21.193 -8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.668 20.653 -10.609 1.00 0.00 H new ATOM 0 HG LEU A 2 0.267 20.334 -10.037 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.619 21.330 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.474 19.966 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.043 21.637 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.288 22.734 -9.955 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.393 23.099 -9.496 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.038 22.397 -11.093 1.00 0.00 H new ATOM 39 N LYS A 3 1.430 17.012 -9.355 1.00 0.00 N ATOM 40 CA LYS A 3 0.521 16.044 -9.912 1.00 0.00 C ATOM 41 C LYS A 3 -0.337 15.578 -8.771 1.00 0.00 C ATOM 42 O LYS A 3 0.191 15.250 -7.710 1.00 0.00 O ATOM 43 CB LYS A 3 1.248 14.837 -10.544 1.00 0.00 C ATOM 44 CG LYS A 3 2.134 15.151 -11.748 1.00 0.00 C ATOM 45 CD LYS A 3 2.836 13.899 -12.277 1.00 0.00 C ATOM 46 CE LYS A 3 1.844 12.868 -12.814 1.00 0.00 C ATOM 47 NZ LYS A 3 2.514 11.644 -13.302 1.00 0.00 N ATOM 0 H LYS A 3 1.787 16.754 -8.435 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.057 16.501 -10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.863 14.365 -9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.500 14.105 -10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.528 15.591 -12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.880 15.895 -11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.530 14.180 -13.069 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.428 13.451 -11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.137 12.603 -12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.267 13.311 -13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.800 10.975 -13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.169 11.890 -14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.044 11.204 -12.523 1.00 0.00 H new ATOM 61 N HIS A 4 -1.632 15.562 -8.971 1.00 0.00 N ATOM 62 CA HIS A 4 -2.574 15.219 -7.901 1.00 0.00 C ATOM 63 C HIS A 4 -2.533 13.767 -7.454 1.00 0.00 C ATOM 64 O HIS A 4 -3.235 12.895 -7.985 1.00 0.00 O ATOM 65 CB HIS A 4 -4.005 15.733 -8.157 1.00 0.00 C ATOM 66 CG HIS A 4 -4.538 15.527 -9.541 1.00 0.00 C ATOM 67 ND1 HIS A 4 -4.710 16.562 -10.418 1.00 0.00 N ATOM 68 CD2 HIS A 4 -4.949 14.424 -10.190 1.00 0.00 C ATOM 69 CE1 HIS A 4 -5.199 16.109 -11.539 1.00 0.00 C ATOM 70 NE2 HIS A 4 -5.356 14.817 -11.433 1.00 0.00 N ATOM 0 H HIS A 4 -2.072 15.782 -9.865 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.204 15.775 -7.040 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.677 15.242 -7.453 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.032 16.799 -7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.956 13.416 -9.801 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.435 16.703 -12.410 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.723 14.202 -12.160 1.00 0.00 H new ATOM 79 N GLY A 5 -1.686 13.537 -6.497 1.00 0.00 N ATOM 80 CA GLY A 5 -1.501 12.268 -5.903 1.00 0.00 C ATOM 81 C GLY A 5 -1.030 12.443 -4.501 1.00 0.00 C ATOM 82 O GLY A 5 0.049 12.998 -4.271 1.00 0.00 O ATOM 0 H GLY A 5 -1.087 14.262 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.436 11.708 -5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.774 11.690 -6.473 1.00 0.00 H new ATOM 86 N LYS A 6 -1.818 12.013 -3.567 1.00 0.00 N ATOM 87 CA LYS A 6 -1.488 12.170 -2.170 1.00 0.00 C ATOM 88 C LYS A 6 -0.643 11.004 -1.713 1.00 0.00 C ATOM 89 O LYS A 6 -0.893 9.867 -2.109 1.00 0.00 O ATOM 90 CB LYS A 6 -2.761 12.234 -1.317 1.00 0.00 C ATOM 91 CG LYS A 6 -3.716 13.366 -1.686 1.00 0.00 C ATOM 92 CD LYS A 6 -4.977 13.363 -0.813 1.00 0.00 C ATOM 93 CE LYS A 6 -4.665 13.627 0.663 1.00 0.00 C ATOM 94 NZ LYS A 6 -4.066 14.960 0.873 1.00 0.00 N ATOM 0 H LYS A 6 -2.707 11.544 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.934 13.101 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.291 11.286 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.476 12.343 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.203 14.322 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.001 13.273 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.669 14.122 -1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.480 12.401 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.582 13.546 1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.983 12.861 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.011 15.159 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.110 14.979 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.654 15.682 0.410 1.00 0.00 H new ATOM 108 N TYR A 7 0.369 11.280 -0.935 1.00 0.00 N ATOM 109 CA TYR A 7 1.171 10.229 -0.364 1.00 0.00 C ATOM 110 C TYR A 7 0.623 9.882 0.989 1.00 0.00 C ATOM 111 O TYR A 7 0.628 10.712 1.899 1.00 0.00 O ATOM 112 CB TYR A 7 2.642 10.630 -0.212 1.00 0.00 C ATOM 113 CG TYR A 7 3.412 10.797 -1.498 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.021 9.705 -2.107 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.552 12.039 -2.090 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.745 9.851 -3.274 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.274 12.195 -3.249 1.00 0.00 C ATOM 118 CZ TYR A 7 4.867 11.103 -3.842 1.00 0.00 C ATOM 119 OH TYR A 7 5.594 11.268 -5.005 1.00 0.00 O ATOM 0 H TYR A 7 0.659 12.224 -0.681 1.00 0.00 H new ATOM 0 HA TYR A 7 1.129 9.376 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.688 11.568 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.144 9.876 0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.926 8.726 -1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.086 12.900 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.211 8.994 -3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.376 13.174 -3.694 1.00 0.00 H new ATOM 0 HH TYR A 7 5.578 12.211 -5.270 1.00 0.00 H new ATOM 129 N VAL A 8 0.134 8.703 1.114 1.00 0.00 N ATOM 130 CA VAL A 8 -0.386 8.232 2.362 1.00 0.00 C ATOM 131 C VAL A 8 0.390 7.002 2.762 1.00 0.00 C ATOM 132 O VAL A 8 1.221 6.506 1.986 1.00 0.00 O ATOM 133 CB VAL A 8 -1.916 7.921 2.304 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.719 9.185 2.025 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.222 6.863 1.258 1.00 0.00 C ATOM 0 H VAL A 8 0.079 8.026 0.353 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.269 9.022 3.104 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.209 7.533 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.781 8.941 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.540 9.912 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.412 9.608 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.294 6.668 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.902 7.217 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.690 5.944 1.503 1.00 0.00 H new ATOM 145 N TYR A 9 0.155 6.519 3.932 1.00 0.00 N ATOM 146 CA TYR A 9 0.855 5.366 4.405 1.00 0.00 C ATOM 147 C TYR A 9 -0.120 4.280 4.714 1.00 0.00 C ATOM 148 O TYR A 9 -1.209 4.539 5.200 1.00 0.00 O ATOM 149 CB TYR A 9 1.704 5.688 5.643 1.00 0.00 C ATOM 150 CG TYR A 9 2.914 6.563 5.377 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.806 7.944 5.318 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.170 5.997 5.202 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.913 8.737 5.088 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.280 6.780 4.973 1.00 0.00 C ATOM 155 CZ TYR A 9 5.149 8.148 4.919 1.00 0.00 C ATOM 156 OH TYR A 9 6.260 8.934 4.679 1.00 0.00 O ATOM 0 H TYR A 9 -0.523 6.906 4.588 1.00 0.00 H new ATOM 0 HA TYR A 9 1.534 5.034 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.072 6.182 6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.041 4.752 6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.840 8.407 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.279 4.923 5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.812 9.811 5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.248 6.322 4.837 1.00 0.00 H new ATOM 0 HH TYR A 9 7.051 8.363 4.585 1.00 0.00 H new ATOM 166 N ILE A 10 0.225 3.085 4.388 1.00 0.00 N ATOM 167 CA ILE A 10 -0.616 1.976 4.726 1.00 0.00 C ATOM 168 C ILE A 10 -0.177 1.466 6.072 1.00 0.00 C ATOM 169 O ILE A 10 1.029 1.227 6.298 1.00 0.00 O ATOM 170 CB ILE A 10 -0.578 0.839 3.666 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.939 1.380 2.269 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.486 -0.334 4.052 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.248 2.144 2.209 1.00 0.00 C ATOM 0 H ILE A 10 1.081 2.843 3.888 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.652 2.315 4.753 1.00 0.00 H new ATOM 0 HB ILE A 10 0.443 0.459 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.136 2.033 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.989 0.544 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.429 -1.106 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.161 -0.747 5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.515 0.016 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.422 2.488 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.065 1.491 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.199 3.003 2.878 1.00 0.00 H new ATOM 185 N ASP A 11 -1.124 1.334 6.966 1.00 0.00 N ATOM 186 CA ASP A 11 -0.855 0.910 8.311 1.00 0.00 C ATOM 187 C ASP A 11 -0.554 -0.552 8.347 1.00 0.00 C ATOM 188 O ASP A 11 -1.446 -1.387 8.342 1.00 0.00 O ATOM 189 CB ASP A 11 -2.004 1.256 9.273 1.00 0.00 C ATOM 190 CG ASP A 11 -1.760 0.778 10.702 1.00 0.00 C ATOM 191 OD1 ASP A 11 -0.920 1.381 11.422 1.00 0.00 O ATOM 192 OD2 ASP A 11 -2.440 -0.171 11.147 1.00 0.00 O ATOM 0 H ASP A 11 -2.109 1.520 6.777 1.00 0.00 H new ATOM 0 HA ASP A 11 0.022 1.459 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.151 2.336 9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.927 0.811 8.901 1.00 0.00 H new ATOM 197 N LEU A 12 0.703 -0.857 8.245 1.00 0.00 N ATOM 198 CA LEU A 12 1.151 -2.205 8.402 1.00 0.00 C ATOM 199 C LEU A 12 1.231 -2.430 9.900 1.00 0.00 C ATOM 200 O LEU A 12 0.903 -3.504 10.424 1.00 0.00 O ATOM 201 CB LEU A 12 2.533 -2.374 7.777 1.00 0.00 C ATOM 202 CG LEU A 12 2.739 -1.819 6.359 1.00 0.00 C ATOM 203 CD1 LEU A 12 4.147 -2.125 5.879 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.694 -2.354 5.384 1.00 0.00 C ATOM 0 H LEU A 12 1.443 -0.182 8.052 1.00 0.00 H new ATOM 0 HA LEU A 12 0.482 -2.915 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.261 -1.898 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.767 -3.438 7.760 1.00 0.00 H new ATOM 0 HG LEU A 12 2.611 -0.737 6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.283 -1.728 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.869 -1.663 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.301 -3.204 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.874 -1.938 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.761 -3.441 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.699 -2.066 5.723 1.00 0.00 H new ATOM 216 N ASN A 13 1.717 -1.361 10.574 1.00 0.00 N ATOM 217 CA ASN A 13 1.784 -1.219 12.045 1.00 0.00 C ATOM 218 C ASN A 13 2.834 -2.159 12.655 1.00 0.00 C ATOM 219 O ASN A 13 3.069 -2.166 13.851 1.00 0.00 O ATOM 220 CB ASN A 13 0.390 -1.462 12.668 1.00 0.00 C ATOM 221 CG ASN A 13 0.198 -0.811 14.026 1.00 0.00 C ATOM 222 OD1 ASN A 13 0.511 -1.384 15.070 1.00 0.00 O ATOM 223 ND2 ASN A 13 -0.364 0.367 14.021 1.00 0.00 N ATOM 0 H ASN A 13 2.087 -0.544 10.088 1.00 0.00 H new ATOM 0 HA ASN A 13 2.094 -0.199 12.274 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.372 -1.086 11.985 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.229 -2.536 12.765 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.558 0.843 14.902 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.609 0.811 13.136 1.00 0.00 H new ATOM 230 N ASN A 14 3.524 -2.867 11.795 1.00 0.00 N ATOM 231 CA ASN A 14 4.510 -3.887 12.171 1.00 0.00 C ATOM 232 C ASN A 14 5.911 -3.276 12.309 1.00 0.00 C ATOM 233 O ASN A 14 6.934 -3.972 12.249 1.00 0.00 O ATOM 234 CB ASN A 14 4.484 -5.052 11.147 1.00 0.00 C ATOM 235 CG ASN A 14 4.961 -4.677 9.747 1.00 0.00 C ATOM 236 OD1 ASN A 14 4.944 -3.514 9.359 1.00 0.00 O ATOM 237 ND2 ASN A 14 5.312 -5.661 8.967 1.00 0.00 N ATOM 0 H ASN A 14 3.423 -2.758 10.786 1.00 0.00 H new ATOM 0 HA ASN A 14 4.245 -4.291 13.148 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.107 -5.863 11.524 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.466 -5.436 11.079 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.584 -5.475 8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.315 -6.617 9.322 1.00 0.00 H new ATOM 244 N GLY A 15 5.942 -1.975 12.513 1.00 0.00 N ATOM 245 CA GLY A 15 7.188 -1.253 12.691 1.00 0.00 C ATOM 246 C GLY A 15 7.591 -0.484 11.462 1.00 0.00 C ATOM 247 O GLY A 15 8.435 0.402 11.527 1.00 0.00 O ATOM 0 H GLY A 15 5.108 -1.389 12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.088 -0.564 13.530 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.978 -1.958 12.950 1.00 0.00 H new ATOM 251 N LYS A 16 6.970 -0.784 10.363 1.00 0.00 N ATOM 252 CA LYS A 16 7.250 -0.107 9.132 1.00 0.00 C ATOM 253 C LYS A 16 5.946 0.228 8.455 1.00 0.00 C ATOM 254 O LYS A 16 4.904 -0.376 8.763 1.00 0.00 O ATOM 255 CB LYS A 16 8.179 -0.956 8.232 1.00 0.00 C ATOM 256 CG LYS A 16 7.641 -2.332 7.881 1.00 0.00 C ATOM 257 CD LYS A 16 8.695 -3.193 7.202 1.00 0.00 C ATOM 258 CE LYS A 16 8.140 -4.575 6.916 1.00 0.00 C ATOM 259 NZ LYS A 16 9.164 -5.534 6.445 1.00 0.00 N ATOM 0 H LYS A 16 6.253 -1.506 10.293 1.00 0.00 H new ATOM 0 HA LYS A 16 7.785 0.822 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.367 -0.408 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.139 -1.074 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.294 -2.829 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.778 -2.228 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.015 -2.723 6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.576 -3.272 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.676 -4.966 7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.355 -4.495 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.789 -6.502 6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.408 -5.323 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.015 -5.452 7.037 1.00 0.00 H new ATOM 273 N TYR A 17 5.980 1.204 7.604 1.00 0.00 N ATOM 274 CA TYR A 17 4.816 1.649 6.879 1.00 0.00 C ATOM 275 C TYR A 17 5.161 1.770 5.430 1.00 0.00 C ATOM 276 O TYR A 17 6.279 2.110 5.096 1.00 0.00 O ATOM 277 CB TYR A 17 4.315 3.006 7.410 1.00 0.00 C ATOM 278 CG TYR A 17 3.516 2.937 8.698 1.00 0.00 C ATOM 279 CD1 TYR A 17 4.112 2.644 9.917 1.00 0.00 C ATOM 280 CD2 TYR A 17 2.152 3.159 8.682 1.00 0.00 C ATOM 281 CE1 TYR A 17 3.364 2.574 11.074 1.00 0.00 C ATOM 282 CE2 TYR A 17 1.404 3.090 9.830 1.00 0.00 C ATOM 283 CZ TYR A 17 2.011 2.799 11.021 1.00 0.00 C ATOM 284 OH TYR A 17 1.253 2.717 12.170 1.00 0.00 O ATOM 0 H TYR A 17 6.828 1.727 7.385 1.00 0.00 H new ATOM 0 HA TYR A 17 4.018 0.919 7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.175 3.657 7.568 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.698 3.474 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.177 2.468 9.960 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.665 3.392 7.747 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.840 2.344 12.016 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.339 3.265 9.794 1.00 0.00 H new ATOM 0 HH TYR A 17 0.339 2.447 11.941 1.00 0.00 H new ATOM 294 N VAL A 18 4.233 1.478 4.581 1.00 0.00 N ATOM 295 CA VAL A 18 4.464 1.597 3.164 1.00 0.00 C ATOM 296 C VAL A 18 3.841 2.884 2.673 1.00 0.00 C ATOM 297 O VAL A 18 2.712 3.226 3.058 1.00 0.00 O ATOM 298 CB VAL A 18 3.948 0.353 2.369 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.507 0.078 2.662 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.148 0.525 0.873 1.00 0.00 C ATOM 0 H VAL A 18 3.301 1.153 4.836 1.00 0.00 H new ATOM 0 HA VAL A 18 5.539 1.629 2.985 1.00 0.00 H new ATOM 0 HB VAL A 18 4.539 -0.501 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.180 -0.793 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.383 -0.117 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.907 0.943 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.778 -0.358 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.600 1.403 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.209 0.654 0.660 1.00 0.00 H new ATOM 310 N LYS A 19 4.579 3.611 1.882 1.00 0.00 N ATOM 311 CA LYS A 19 4.144 4.888 1.410 1.00 0.00 C ATOM 312 C LYS A 19 3.595 4.740 0.014 1.00 0.00 C ATOM 313 O LYS A 19 4.316 4.363 -0.913 1.00 0.00 O ATOM 314 CB LYS A 19 5.310 5.871 1.447 1.00 0.00 C ATOM 315 CG LYS A 19 4.918 7.323 1.245 1.00 0.00 C ATOM 316 CD LYS A 19 6.114 8.222 1.478 1.00 0.00 C ATOM 317 CE LYS A 19 5.726 9.688 1.527 1.00 0.00 C ATOM 318 NZ LYS A 19 6.881 10.538 1.865 1.00 0.00 N ATOM 0 H LYS A 19 5.501 3.331 1.548 1.00 0.00 H new ATOM 0 HA LYS A 19 3.354 5.278 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.818 5.776 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.028 5.592 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.536 7.467 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.114 7.589 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.599 7.944 2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.844 8.067 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.319 9.991 0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.937 9.833 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.583 11.534 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.253 10.264 2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.623 10.417 1.147 1.00 0.00 H new ATOM 332 N VAL A 20 2.339 5.023 -0.133 1.00 0.00 N ATOM 333 CA VAL A 20 1.680 4.858 -1.385 1.00 0.00 C ATOM 334 C VAL A 20 1.115 6.192 -1.861 1.00 0.00 C ATOM 335 O VAL A 20 0.607 6.999 -1.076 1.00 0.00 O ATOM 336 CB VAL A 20 0.572 3.749 -1.314 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.518 4.101 -0.325 1.00 0.00 C ATOM 338 CG2 VAL A 20 -0.018 3.440 -2.689 1.00 0.00 C ATOM 0 H VAL A 20 1.742 5.376 0.615 1.00 0.00 H new ATOM 0 HA VAL A 20 2.414 4.519 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 20 1.063 2.844 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.264 3.306 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.085 4.214 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.991 5.037 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.781 2.667 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.467 4.343 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.772 3.089 -3.353 1.00 0.00 H new ATOM 348 N ARG A 21 1.274 6.436 -3.116 1.00 0.00 N ATOM 349 CA ARG A 21 0.784 7.615 -3.750 1.00 0.00 C ATOM 350 C ARG A 21 -0.535 7.304 -4.422 1.00 0.00 C ATOM 351 O ARG A 21 -0.610 6.419 -5.278 1.00 0.00 O ATOM 352 CB ARG A 21 1.815 8.107 -4.759 1.00 0.00 C ATOM 353 CG ARG A 21 1.382 9.279 -5.607 1.00 0.00 C ATOM 354 CD ARG A 21 2.538 9.745 -6.461 1.00 0.00 C ATOM 355 NE ARG A 21 2.163 10.803 -7.379 1.00 0.00 N ATOM 356 CZ ARG A 21 2.255 12.111 -7.140 1.00 0.00 C ATOM 357 NH1 ARG A 21 2.538 12.562 -5.937 1.00 0.00 N ATOM 358 NH2 ARG A 21 2.025 12.952 -8.104 1.00 0.00 N ATOM 0 H ARG A 21 1.763 5.803 -3.750 1.00 0.00 H new ATOM 0 HA ARG A 21 0.619 8.403 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.721 8.385 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.077 7.280 -5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.542 8.992 -6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.037 10.093 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.343 10.097 -5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.930 8.900 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 21 1.796 10.521 -8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.691 11.907 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.605 13.566 -5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.777 12.609 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.092 13.955 -7.933 1.00 0.00 H new ATOM 372 N ILE A 22 -1.556 7.992 -4.010 1.00 0.00 N ATOM 373 CA ILE A 22 -2.879 7.794 -4.548 1.00 0.00 C ATOM 374 C ILE A 22 -3.200 8.936 -5.500 1.00 0.00 C ATOM 375 O ILE A 22 -3.455 10.064 -5.053 1.00 0.00 O ATOM 376 CB ILE A 22 -3.954 7.783 -3.415 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.574 6.813 -2.274 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.341 7.449 -3.972 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.375 5.378 -2.698 1.00 0.00 C ATOM 0 H ILE A 22 -1.501 8.711 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.899 6.834 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.988 8.788 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.656 7.168 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.354 6.847 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.069 7.449 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.625 8.196 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.318 6.464 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.111 4.775 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.297 4.997 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.573 5.324 -3.434 1.00 0.00 H new ATOM 391 N LEU A 23 -3.131 8.673 -6.788 1.00 0.00 N ATOM 392 CA LEU A 23 -3.487 9.665 -7.779 1.00 0.00 C ATOM 393 C LEU A 23 -4.982 9.770 -7.852 1.00 0.00 C ATOM 394 O LEU A 23 -5.650 8.869 -8.366 1.00 0.00 O ATOM 395 CB LEU A 23 -2.955 9.278 -9.166 1.00 0.00 C ATOM 396 CG LEU A 23 -1.444 9.272 -9.353 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.097 8.751 -10.739 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.898 10.673 -9.177 1.00 0.00 C ATOM 0 H LEU A 23 -2.831 7.778 -7.174 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.044 10.617 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.329 8.283 -9.406 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.383 9.965 -9.896 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.995 8.619 -8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.014 8.749 -10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.477 7.736 -10.852 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.550 9.394 -11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.184 10.662 -9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.349 11.335 -9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.135 11.033 -8.176 1.00 0.00 H new ATOM 410 N LYS A 24 -5.516 10.856 -7.388 1.00 0.00 N ATOM 411 CA LYS A 24 -6.937 11.027 -7.416 1.00 0.00 C ATOM 412 C LYS A 24 -7.283 11.683 -8.721 1.00 0.00 C ATOM 413 O LYS A 24 -7.053 12.863 -8.908 1.00 0.00 O ATOM 414 CB LYS A 24 -7.400 11.900 -6.242 1.00 0.00 C ATOM 415 CG LYS A 24 -8.912 12.133 -6.191 1.00 0.00 C ATOM 416 CD LYS A 24 -9.284 13.192 -5.158 1.00 0.00 C ATOM 417 CE LYS A 24 -8.974 12.773 -3.724 1.00 0.00 C ATOM 418 NZ LYS A 24 -9.822 11.646 -3.260 1.00 0.00 N ATOM 0 H LYS A 24 -4.994 11.635 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.438 10.063 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.084 11.432 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.897 12.865 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.266 12.443 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.417 11.197 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.748 14.114 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.348 13.414 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.925 12.486 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.117 13.627 -3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.582 11.413 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.824 11.919 -3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.655 10.815 -3.863 1.00 0.00 H new ATOM 432 N SER A 25 -7.832 10.942 -9.620 1.00 0.00 N ATOM 433 CA SER A 25 -8.117 11.474 -10.904 1.00 0.00 C ATOM 434 C SER A 25 -9.569 11.923 -10.974 1.00 0.00 C ATOM 435 O SER A 25 -10.434 11.243 -11.545 1.00 0.00 O ATOM 436 CB SER A 25 -7.772 10.443 -11.970 1.00 0.00 C ATOM 437 OG SER A 25 -6.507 9.857 -11.660 1.00 0.00 O ATOM 0 H SER A 25 -8.092 9.965 -9.488 1.00 0.00 H new ATOM 0 HA SER A 25 -7.503 12.356 -11.089 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.543 9.673 -12.013 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.738 10.914 -12.952 1.00 0.00 H new ATOM 0 HG SER A 25 -6.628 9.152 -10.990 1.00 0.00 H new ATOM 443 N ARG A 26 -9.839 13.037 -10.317 1.00 0.00 N ATOM 444 CA ARG A 26 -11.168 13.634 -10.312 1.00 0.00 C ATOM 445 C ARG A 26 -11.361 14.326 -11.654 1.00 0.00 C ATOM 446 O ARG A 26 -12.461 14.430 -12.173 1.00 0.00 O ATOM 447 CB ARG A 26 -11.291 14.616 -9.107 1.00 0.00 C ATOM 448 CG ARG A 26 -12.692 15.204 -8.833 1.00 0.00 C ATOM 449 CD ARG A 26 -13.093 16.302 -9.815 1.00 0.00 C ATOM 450 NE ARG A 26 -14.465 16.775 -9.595 1.00 0.00 N ATOM 451 CZ ARG A 26 -14.952 17.955 -10.014 1.00 0.00 C ATOM 452 NH1 ARG A 26 -14.165 18.829 -10.645 1.00 0.00 N ATOM 453 NH2 ARG A 26 -16.226 18.255 -9.795 1.00 0.00 N ATOM 0 H ARG A 26 -9.148 13.554 -9.773 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.951 12.886 -10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.958 14.096 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.600 15.443 -9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.429 14.402 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.717 15.606 -7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.403 17.140 -9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.000 15.926 -10.834 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.098 16.160 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.184 18.604 -10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.544 19.722 -10.959 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.830 17.591 -9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.601 19.149 -10.111 1.00 0.00 H new ATOM 467 N ASP A 27 -10.248 14.733 -12.223 1.00 0.00 N ATOM 468 CA ASP A 27 -10.188 15.385 -13.528 1.00 0.00 C ATOM 469 C ASP A 27 -10.565 14.390 -14.614 1.00 0.00 C ATOM 470 O ASP A 27 -11.111 14.750 -15.653 1.00 0.00 O ATOM 471 CB ASP A 27 -8.761 15.916 -13.782 1.00 0.00 C ATOM 472 CG ASP A 27 -7.706 14.818 -13.803 1.00 0.00 C ATOM 473 OD1 ASP A 27 -7.515 14.140 -12.764 1.00 0.00 O ATOM 474 OD2 ASP A 27 -7.018 14.644 -14.832 1.00 0.00 O ATOM 0 H ASP A 27 -9.333 14.621 -11.787 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.889 16.220 -13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.742 16.447 -14.734 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.507 16.640 -13.008 1.00 0.00 H new ATOM 479 N ASP A 28 -10.274 13.145 -14.353 1.00 0.00 N ATOM 480 CA ASP A 28 -10.579 12.055 -15.261 1.00 0.00 C ATOM 481 C ASP A 28 -11.992 11.563 -15.025 1.00 0.00 C ATOM 482 O ASP A 28 -12.811 11.519 -15.948 1.00 0.00 O ATOM 483 CB ASP A 28 -9.573 10.922 -15.065 1.00 0.00 C ATOM 484 CG ASP A 28 -9.951 9.646 -15.779 1.00 0.00 C ATOM 485 OD1 ASP A 28 -9.907 9.594 -17.027 1.00 0.00 O ATOM 486 OD2 ASP A 28 -10.259 8.648 -15.094 1.00 0.00 O ATOM 0 H ASP A 28 -9.812 12.847 -13.494 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.506 12.411 -16.289 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.596 11.250 -15.419 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.474 10.716 -13.999 1.00 0.00 H new ATOM 491 N ASN A 29 -12.273 11.225 -13.781 1.00 0.00 N ATOM 492 CA ASN A 29 -13.583 10.740 -13.367 1.00 0.00 C ATOM 493 C ASN A 29 -13.677 10.765 -11.838 1.00 0.00 C ATOM 494 O ASN A 29 -14.033 11.775 -11.249 1.00 0.00 O ATOM 495 CB ASN A 29 -13.846 9.311 -13.929 1.00 0.00 C ATOM 496 CG ASN A 29 -15.144 8.646 -13.449 1.00 0.00 C ATOM 497 OD1 ASN A 29 -15.184 7.431 -13.290 1.00 0.00 O ATOM 498 ND2 ASN A 29 -16.186 9.403 -13.237 1.00 0.00 N ATOM 0 H ASN A 29 -11.595 11.278 -13.020 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.354 11.395 -13.774 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.866 9.364 -15.018 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.007 8.671 -13.656 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.065 8.986 -12.930 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.121 10.411 -13.378 1.00 0.00 H new ATOM 505 N SER A 30 -13.314 9.668 -11.214 1.00 0.00 N ATOM 506 CA SER A 30 -13.287 9.523 -9.766 1.00 0.00 C ATOM 507 C SER A 30 -12.318 8.404 -9.466 1.00 0.00 C ATOM 508 O SER A 30 -12.328 7.796 -8.389 1.00 0.00 O ATOM 509 CB SER A 30 -14.686 9.151 -9.228 1.00 0.00 C ATOM 510 OG SER A 30 -15.681 10.102 -9.606 1.00 0.00 O ATOM 0 H SER A 30 -13.020 8.825 -11.708 1.00 0.00 H new ATOM 0 HA SER A 30 -12.987 10.457 -9.292 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.967 8.166 -9.602 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.648 9.080 -8.141 1.00 0.00 H new ATOM 0 HG SER A 30 -16.550 9.827 -9.246 1.00 0.00 H new ATOM 516 N VAL A 31 -11.448 8.187 -10.421 1.00 0.00 N ATOM 517 CA VAL A 31 -10.541 7.071 -10.395 1.00 0.00 C ATOM 518 C VAL A 31 -9.329 7.408 -9.582 1.00 0.00 C ATOM 519 O VAL A 31 -8.604 8.340 -9.892 1.00 0.00 O ATOM 520 CB VAL A 31 -10.116 6.643 -11.824 1.00 0.00 C ATOM 521 CG1 VAL A 31 -9.151 5.462 -11.786 1.00 0.00 C ATOM 522 CG2 VAL A 31 -11.335 6.290 -12.645 1.00 0.00 C ATOM 0 H VAL A 31 -11.350 8.784 -11.242 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.065 6.232 -9.936 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.601 7.484 -12.287 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.873 5.187 -12.803 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.257 5.740 -11.228 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.633 4.614 -11.300 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.025 5.991 -13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.868 5.467 -12.169 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.992 7.157 -12.712 1.00 0.00 H new ATOM 532 N GLU A 32 -9.138 6.701 -8.537 1.00 0.00 N ATOM 533 CA GLU A 32 -7.995 6.892 -7.730 1.00 0.00 C ATOM 534 C GLU A 32 -7.015 5.800 -8.030 1.00 0.00 C ATOM 535 O GLU A 32 -7.226 4.634 -7.690 1.00 0.00 O ATOM 536 CB GLU A 32 -8.369 6.975 -6.264 1.00 0.00 C ATOM 537 CG GLU A 32 -9.308 8.133 -5.991 1.00 0.00 C ATOM 538 CD GLU A 32 -9.647 8.298 -4.553 1.00 0.00 C ATOM 539 OE1 GLU A 32 -10.542 7.583 -4.051 1.00 0.00 O ATOM 540 OE2 GLU A 32 -9.075 9.176 -3.901 1.00 0.00 O ATOM 0 H GLU A 32 -9.771 5.970 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.521 7.846 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.842 6.042 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.466 7.089 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.852 9.053 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.227 7.986 -6.558 1.00 0.00 H new ATOM 547 N LYS A 33 -5.990 6.170 -8.740 1.00 0.00 N ATOM 548 CA LYS A 33 -4.995 5.247 -9.177 1.00 0.00 C ATOM 549 C LYS A 33 -3.920 5.111 -8.142 1.00 0.00 C ATOM 550 O LYS A 33 -3.235 6.082 -7.795 1.00 0.00 O ATOM 551 CB LYS A 33 -4.396 5.653 -10.526 1.00 0.00 C ATOM 552 CG LYS A 33 -5.393 5.658 -11.682 1.00 0.00 C ATOM 553 CD LYS A 33 -4.691 5.860 -13.022 1.00 0.00 C ATOM 554 CE LYS A 33 -4.075 7.247 -13.173 1.00 0.00 C ATOM 555 NZ LYS A 33 -5.102 8.295 -13.337 1.00 0.00 N ATOM 0 H LYS A 33 -5.823 7.133 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.479 4.280 -9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.962 6.648 -10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.581 4.971 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.942 4.716 -11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.125 6.451 -11.530 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.910 5.108 -13.133 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.406 5.697 -13.828 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.466 7.470 -12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.408 7.255 -14.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.707 9.085 -13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.923 7.901 -13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.400 8.638 -12.402 1.00 0.00 H new ATOM 569 N TYR A 34 -3.800 3.939 -7.637 1.00 0.00 N ATOM 570 CA TYR A 34 -2.824 3.620 -6.652 1.00 0.00 C ATOM 571 C TYR A 34 -1.528 3.323 -7.356 1.00 0.00 C ATOM 572 O TYR A 34 -1.509 2.620 -8.381 1.00 0.00 O ATOM 573 CB TYR A 34 -3.285 2.418 -5.799 1.00 0.00 C ATOM 574 CG TYR A 34 -4.466 2.692 -4.866 1.00 0.00 C ATOM 575 CD1 TYR A 34 -5.513 3.534 -5.230 1.00 0.00 C ATOM 576 CD2 TYR A 34 -4.525 2.100 -3.621 1.00 0.00 C ATOM 577 CE1 TYR A 34 -6.573 3.773 -4.385 1.00 0.00 C ATOM 578 CE2 TYR A 34 -5.585 2.336 -2.771 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.601 3.171 -3.153 1.00 0.00 C ATOM 580 OH TYR A 34 -7.654 3.403 -2.296 1.00 0.00 O ATOM 0 H TYR A 34 -4.392 3.151 -7.902 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.686 4.461 -5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.554 1.601 -6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.442 2.075 -5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.493 4.011 -6.199 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.729 1.441 -3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.375 4.429 -4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.614 1.861 -1.801 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.518 2.899 -1.467 1.00 0.00 H new ATOM 590 N VAL A 35 -0.467 3.911 -6.878 1.00 0.00 N ATOM 591 CA VAL A 35 0.824 3.699 -7.469 1.00 0.00 C ATOM 592 C VAL A 35 1.280 2.248 -7.230 1.00 0.00 C ATOM 593 O VAL A 35 0.958 1.630 -6.219 1.00 0.00 O ATOM 594 CB VAL A 35 1.878 4.715 -6.941 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.216 4.459 -5.493 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.131 4.747 -7.812 1.00 0.00 C ATOM 0 H VAL A 35 -0.471 4.543 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 35 0.736 3.867 -8.542 1.00 0.00 H new ATOM 0 HB VAL A 35 1.424 5.704 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.955 5.187 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.315 4.551 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.623 3.454 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.838 5.470 -7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.590 3.758 -7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.861 5.036 -8.828 1.00 0.00 H new ATOM 606 N LEU A 36 2.009 1.739 -8.172 1.00 0.00 N ATOM 607 CA LEU A 36 2.485 0.383 -8.186 1.00 0.00 C ATOM 608 C LEU A 36 3.657 0.112 -7.241 1.00 0.00 C ATOM 609 O LEU A 36 4.127 -1.014 -7.164 1.00 0.00 O ATOM 610 CB LEU A 36 2.780 -0.103 -9.615 1.00 0.00 C ATOM 611 CG LEU A 36 1.560 -0.432 -10.524 1.00 0.00 C ATOM 612 CD1 LEU A 36 0.680 -1.510 -9.905 1.00 0.00 C ATOM 613 CD2 LEU A 36 0.741 0.807 -10.856 1.00 0.00 C ATOM 0 H LEU A 36 2.304 2.275 -8.988 1.00 0.00 H new ATOM 0 HA LEU A 36 1.661 -0.209 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.376 0.661 -10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.400 -0.997 -9.546 1.00 0.00 H new ATOM 0 HG LEU A 36 1.963 -0.817 -11.461 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.162 -1.716 -10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.263 -2.420 -9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.309 -1.167 -8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.099 0.528 -11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.366 1.253 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.368 1.528 -11.379 1.00 0.00 H new ATOM 625 N THR A 37 4.147 1.114 -6.548 1.00 0.00 N ATOM 626 CA THR A 37 5.292 0.888 -5.696 1.00 0.00 C ATOM 627 C THR A 37 4.820 0.466 -4.299 1.00 0.00 C ATOM 628 O THR A 37 3.722 0.812 -3.865 1.00 0.00 O ATOM 629 CB THR A 37 6.221 2.148 -5.614 1.00 0.00 C ATOM 630 OG1 THR A 37 7.392 1.857 -4.851 1.00 0.00 O ATOM 631 CG2 THR A 37 5.517 3.348 -4.987 1.00 0.00 C ATOM 0 H THR A 37 3.784 2.067 -6.555 1.00 0.00 H new ATOM 0 HA THR A 37 5.886 0.086 -6.133 1.00 0.00 H new ATOM 0 HB THR A 37 6.489 2.402 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.962 2.653 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.202 4.195 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.644 3.611 -5.585 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.201 3.096 -3.975 1.00 0.00 H new ATOM 639 N SER A 38 5.630 -0.329 -3.645 1.00 0.00 N ATOM 640 CA SER A 38 5.317 -0.879 -2.353 1.00 0.00 C ATOM 641 C SER A 38 6.472 -0.631 -1.385 1.00 0.00 C ATOM 642 O SER A 38 6.641 -1.354 -0.404 1.00 0.00 O ATOM 643 CB SER A 38 5.058 -2.373 -2.515 1.00 0.00 C ATOM 644 OG SER A 38 4.068 -2.591 -3.510 1.00 0.00 O ATOM 0 H SER A 38 6.541 -0.616 -4.003 1.00 0.00 H new ATOM 0 HA SER A 38 4.429 -0.398 -1.944 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.981 -2.882 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.731 -2.798 -1.566 1.00 0.00 H new ATOM 0 HG SER A 38 3.380 -3.195 -3.160 1.00 0.00 H new ATOM 650 N HIS A 39 7.251 0.406 -1.659 1.00 0.00 N ATOM 651 CA HIS A 39 8.396 0.739 -0.815 1.00 0.00 C ATOM 652 C HIS A 39 8.007 1.153 0.588 1.00 0.00 C ATOM 653 O HIS A 39 7.174 2.050 0.796 1.00 0.00 O ATOM 654 CB HIS A 39 9.331 1.761 -1.456 1.00 0.00 C ATOM 655 CG HIS A 39 10.243 1.154 -2.466 1.00 0.00 C ATOM 656 ND1 HIS A 39 10.058 0.857 -3.768 1.00 0.00 N flip ATOM 657 CD2 HIS A 39 11.516 0.738 -2.165 1.00 0.00 C flip ATOM 658 CE1 HIS A 39 11.207 0.272 -4.217 1.00 0.00 C flip ATOM 659 NE2 HIS A 39 12.066 0.213 -3.227 1.00 0.00 N flip ATOM 0 H HIS A 39 7.114 1.030 -2.454 1.00 0.00 H new ATOM 0 HA HIS A 39 8.954 -0.193 -0.723 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.737 2.542 -1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.925 2.241 -0.679 1.00 0.00 H new ATOM 0 HD1 HIS A 39 9.216 1.036 -4.316 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.990 0.831 -1.199 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.380 -0.084 -5.222 1.00 0.00 H new ATOM 668 N VAL A 40 8.622 0.500 1.538 1.00 0.00 N ATOM 669 CA VAL A 40 8.363 0.733 2.929 1.00 0.00 C ATOM 670 C VAL A 40 9.320 1.756 3.500 1.00 0.00 C ATOM 671 O VAL A 40 10.427 1.964 2.980 1.00 0.00 O ATOM 672 CB VAL A 40 8.415 -0.571 3.781 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.312 -1.521 3.371 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.773 -1.260 3.669 1.00 0.00 C ATOM 0 H VAL A 40 9.326 -0.217 1.362 1.00 0.00 H new ATOM 0 HA VAL A 40 7.346 1.121 2.984 1.00 0.00 H new ATOM 0 HB VAL A 40 8.267 -0.287 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.366 -2.425 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.345 -1.041 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.429 -1.782 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.773 -2.165 4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.964 -1.521 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.553 -0.586 4.023 1.00 0.00 H new ATOM 684 N SER A 41 8.879 2.392 4.529 1.00 0.00 N ATOM 685 CA SER A 41 9.622 3.355 5.239 1.00 0.00 C ATOM 686 C SER A 41 9.561 2.960 6.710 1.00 0.00 C ATOM 687 O SER A 41 8.614 2.279 7.138 1.00 0.00 O ATOM 688 CB SER A 41 8.995 4.743 5.021 1.00 0.00 C ATOM 689 OG SER A 41 9.810 5.775 5.552 1.00 0.00 O ATOM 0 H SER A 41 7.945 2.242 4.911 1.00 0.00 H new ATOM 0 HA SER A 41 10.657 3.398 4.900 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.844 4.911 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.012 4.777 5.491 1.00 0.00 H new ATOM 0 HG SER A 41 9.603 6.620 5.101 1.00 0.00 H new ATOM 695 N LYS A 42 10.550 3.363 7.470 1.00 0.00 N ATOM 696 CA LYS A 42 10.619 3.038 8.890 1.00 0.00 C ATOM 697 C LYS A 42 9.977 4.146 9.710 1.00 0.00 C ATOM 698 O LYS A 42 10.080 4.184 10.939 1.00 0.00 O ATOM 699 CB LYS A 42 12.075 2.831 9.302 1.00 0.00 C ATOM 700 CG LYS A 42 12.755 1.696 8.556 1.00 0.00 C ATOM 701 CD LYS A 42 14.225 1.608 8.897 1.00 0.00 C ATOM 702 CE LYS A 42 14.894 0.478 8.141 1.00 0.00 C ATOM 703 NZ LYS A 42 16.351 0.452 8.365 1.00 0.00 N ATOM 0 H LYS A 42 11.332 3.924 7.131 1.00 0.00 H new ATOM 0 HA LYS A 42 10.071 2.114 9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.629 3.754 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.117 2.630 10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.267 0.753 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.638 1.844 7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.715 2.551 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.344 1.453 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.462 -0.473 8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.693 0.585 7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.770 -0.335 7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.768 1.349 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.544 0.324 9.379 1.00 0.00 H new ATOM 717 N ASN A 43 9.317 5.043 9.022 1.00 0.00 N ATOM 718 CA ASN A 43 8.634 6.142 9.657 1.00 0.00 C ATOM 719 C ASN A 43 7.234 5.743 10.008 1.00 0.00 C ATOM 720 O ASN A 43 6.535 5.131 9.201 1.00 0.00 O ATOM 721 CB ASN A 43 8.589 7.388 8.760 1.00 0.00 C ATOM 722 CG ASN A 43 9.945 8.007 8.518 1.00 0.00 C ATOM 723 OD1 ASN A 43 10.405 8.827 9.304 1.00 0.00 O ATOM 724 ND2 ASN A 43 10.576 7.665 7.431 1.00 0.00 N ATOM 0 H ASN A 43 9.238 5.032 8.005 1.00 0.00 H new ATOM 0 HA ASN A 43 9.194 6.390 10.559 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.145 7.120 7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.936 8.131 9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.481 8.083 7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.166 6.979 6.797 1.00 0.00 H new ATOM 731 N ARG A 44 6.833 6.063 11.207 1.00 0.00 N ATOM 732 CA ARG A 44 5.490 5.824 11.663 1.00 0.00 C ATOM 733 C ARG A 44 4.846 7.190 11.885 1.00 0.00 C ATOM 734 O ARG A 44 4.926 7.756 12.980 1.00 0.00 O ATOM 735 CB ARG A 44 5.507 5.017 12.968 1.00 0.00 C ATOM 736 CG ARG A 44 6.307 3.726 12.877 1.00 0.00 C ATOM 737 CD ARG A 44 6.371 3.002 14.211 1.00 0.00 C ATOM 738 NE ARG A 44 6.935 3.850 15.276 1.00 0.00 N ATOM 739 CZ ARG A 44 8.233 3.899 15.633 1.00 0.00 C ATOM 740 NH1 ARG A 44 9.156 3.272 14.920 1.00 0.00 N ATOM 741 NH2 ARG A 44 8.603 4.615 16.684 1.00 0.00 N ATOM 0 H ARG A 44 7.435 6.502 11.903 1.00 0.00 H new ATOM 0 HA ARG A 44 4.926 5.247 10.931 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.922 5.637 13.763 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.482 4.780 13.252 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.856 3.072 12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.318 3.949 12.536 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.369 2.680 14.497 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.977 2.102 14.106 1.00 0.00 H new ATOM 0 HE ARG A 44 6.288 4.451 15.786 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.888 2.744 14.090 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.135 3.317 15.201 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.905 5.129 17.222 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.586 4.653 16.955 1.00 0.00 H new ATOM 755 N PRO A 45 4.273 7.780 10.832 1.00 0.00 N ATOM 756 CA PRO A 45 3.748 9.126 10.885 1.00 0.00 C ATOM 757 C PRO A 45 2.355 9.178 11.477 1.00 0.00 C ATOM 758 O PRO A 45 1.459 8.435 11.065 1.00 0.00 O ATOM 759 CB PRO A 45 3.728 9.572 9.413 1.00 0.00 C ATOM 760 CG PRO A 45 4.199 8.389 8.620 1.00 0.00 C ATOM 761 CD PRO A 45 4.071 7.195 9.509 1.00 0.00 C ATOM 0 HA PRO A 45 4.352 9.770 11.524 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.725 9.872 9.109 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.379 10.432 9.256 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.600 8.265 7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.232 8.524 8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.094 6.721 9.417 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.817 6.434 9.281 1.00 0.00 H new ATOM 769 N LYS A 46 2.171 10.063 12.428 1.00 0.00 N ATOM 770 CA LYS A 46 0.902 10.205 13.116 1.00 0.00 C ATOM 771 C LYS A 46 0.062 11.253 12.401 1.00 0.00 C ATOM 772 O LYS A 46 -1.163 11.234 12.452 1.00 0.00 O ATOM 773 CB LYS A 46 1.147 10.648 14.568 1.00 0.00 C ATOM 774 CG LYS A 46 2.258 9.871 15.294 1.00 0.00 C ATOM 775 CD LYS A 46 2.024 8.352 15.374 1.00 0.00 C ATOM 776 CE LYS A 46 1.005 7.929 16.444 1.00 0.00 C ATOM 777 NZ LYS A 46 -0.382 8.378 16.186 1.00 0.00 N ATOM 0 H LYS A 46 2.894 10.707 12.749 1.00 0.00 H new ATOM 0 HA LYS A 46 0.378 9.249 13.116 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.400 11.708 14.573 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.219 10.539 15.129 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.204 10.054 14.785 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.358 10.265 16.305 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.683 7.996 14.402 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.975 7.859 15.578 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.012 6.842 16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.327 8.322 17.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.049 7.646 16.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.563 9.261 16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.510 8.542 15.167 1.00 0.00 H new ATOM 791 N ASN A 47 0.748 12.139 11.716 1.00 0.00 N ATOM 792 CA ASN A 47 0.135 13.253 10.997 1.00 0.00 C ATOM 793 C ASN A 47 -0.347 12.829 9.618 1.00 0.00 C ATOM 794 O ASN A 47 -1.159 13.514 8.994 1.00 0.00 O ATOM 795 CB ASN A 47 1.138 14.408 10.835 1.00 0.00 C ATOM 796 CG ASN A 47 2.373 14.037 9.998 1.00 0.00 C ATOM 797 OD1 ASN A 47 2.844 12.889 10.010 1.00 0.00 O ATOM 798 ND2 ASN A 47 2.893 14.989 9.275 1.00 0.00 N ATOM 0 H ASN A 47 1.765 12.113 11.636 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.721 13.582 11.586 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.633 15.254 10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.464 14.737 11.822 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.712 14.801 8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.481 15.922 9.288 1.00 0.00 H new ATOM 805 N ALA A 48 0.163 11.729 9.137 1.00 0.00 N ATOM 806 CA ALA A 48 -0.198 11.247 7.837 1.00 0.00 C ATOM 807 C ALA A 48 -1.389 10.332 7.936 1.00 0.00 C ATOM 808 O ALA A 48 -1.647 9.739 9.004 1.00 0.00 O ATOM 809 CB ALA A 48 0.970 10.542 7.174 1.00 0.00 C ATOM 0 H ALA A 48 0.837 11.146 9.633 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.466 12.101 7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.669 10.186 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.803 11.237 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.279 9.695 7.787 1.00 0.00 H new ATOM 815 N ILE A 49 -2.098 10.199 6.854 1.00 0.00 N ATOM 816 CA ILE A 49 -3.262 9.357 6.816 1.00 0.00 C ATOM 817 C ILE A 49 -2.817 7.936 6.577 1.00 0.00 C ATOM 818 O ILE A 49 -2.085 7.653 5.614 1.00 0.00 O ATOM 819 CB ILE A 49 -4.250 9.783 5.684 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.692 11.252 5.851 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.472 8.855 5.635 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.404 11.553 7.157 1.00 0.00 C ATOM 0 H ILE A 49 -1.888 10.669 5.973 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.786 9.450 7.767 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.718 9.695 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.814 11.893 5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.351 11.516 5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.141 9.177 4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.145 7.833 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.998 8.896 6.589 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.678 12.608 7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.304 10.942 7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.742 11.325 7.993 1.00 0.00 H new ATOM 834 N VAL A 50 -3.196 7.062 7.466 1.00 0.00 N ATOM 835 CA VAL A 50 -2.863 5.683 7.331 1.00 0.00 C ATOM 836 C VAL A 50 -4.088 4.867 6.965 1.00 0.00 C ATOM 837 O VAL A 50 -5.155 5.001 7.578 1.00 0.00 O ATOM 838 CB VAL A 50 -2.129 5.093 8.574 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.787 5.777 8.769 1.00 0.00 C ATOM 840 CG2 VAL A 50 -2.970 5.199 9.842 1.00 0.00 C ATOM 0 H VAL A 50 -3.741 7.289 8.298 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.145 5.618 6.513 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.965 4.033 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.287 5.355 9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.168 5.623 7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.942 6.845 8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.418 4.776 10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.192 6.247 10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.902 4.651 9.707 1.00 0.00 H new ATOM 850 N ILE A 51 -3.952 4.077 5.944 1.00 0.00 N ATOM 851 CA ILE A 51 -5.023 3.236 5.470 1.00 0.00 C ATOM 852 C ILE A 51 -4.742 1.796 5.891 1.00 0.00 C ATOM 853 O ILE A 51 -3.601 1.352 5.858 1.00 0.00 O ATOM 854 CB ILE A 51 -5.143 3.321 3.916 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.327 4.787 3.476 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.290 2.453 3.398 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.479 4.976 1.975 1.00 0.00 C ATOM 0 H ILE A 51 -3.089 3.993 5.407 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.964 3.575 5.903 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.219 2.938 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.207 5.195 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.470 5.367 3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.346 2.535 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.114 1.414 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.229 2.791 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.604 6.036 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.589 4.601 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.353 4.427 1.626 1.00 0.00 H new ATOM 869 N LYS A 52 -5.766 1.100 6.316 1.00 0.00 N ATOM 870 CA LYS A 52 -5.652 -0.286 6.743 1.00 0.00 C ATOM 871 C LYS A 52 -5.522 -1.177 5.510 1.00 0.00 C ATOM 872 O LYS A 52 -6.204 -0.925 4.514 1.00 0.00 O ATOM 873 CB LYS A 52 -6.920 -0.652 7.524 1.00 0.00 C ATOM 874 CG LYS A 52 -6.996 -2.074 8.042 1.00 0.00 C ATOM 875 CD LYS A 52 -8.312 -2.294 8.759 1.00 0.00 C ATOM 876 CE LYS A 52 -8.488 -3.730 9.205 1.00 0.00 C ATOM 877 NZ LYS A 52 -9.791 -3.930 9.865 1.00 0.00 N ATOM 0 H LYS A 52 -6.712 1.475 6.379 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.775 -0.425 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.009 0.027 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.782 -0.474 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.901 -2.777 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.166 -2.267 8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.365 -1.637 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.134 -2.017 8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.409 -4.393 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.685 -4.001 9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.882 -4.923 10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.855 -3.314 10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.556 -3.694 9.201 1.00 0.00 H new ATOM 891 N MET A 53 -4.669 -2.233 5.590 1.00 0.00 N ATOM 892 CA MET A 53 -4.424 -3.194 4.469 1.00 0.00 C ATOM 893 C MET A 53 -5.716 -3.683 3.833 1.00 0.00 C ATOM 894 O MET A 53 -5.804 -3.876 2.624 1.00 0.00 O ATOM 895 CB MET A 53 -3.677 -4.448 4.938 1.00 0.00 C ATOM 896 CG MET A 53 -2.203 -4.309 5.255 1.00 0.00 C ATOM 897 SD MET A 53 -1.489 -5.941 5.612 1.00 0.00 S ATOM 898 CE MET A 53 0.248 -5.581 5.823 1.00 0.00 C ATOM 0 H MET A 53 -4.131 -2.446 6.430 1.00 0.00 H new ATOM 0 HA MET A 53 -3.829 -2.632 3.749 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.178 -4.824 5.830 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.784 -5.211 4.167 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.683 -3.851 4.413 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.067 -3.648 6.111 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.744 -6.436 6.283 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.699 -5.380 4.851 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.363 -4.707 6.464 1.00 0.00 H new ATOM 908 N ASP A 54 -6.716 -3.834 4.662 1.00 0.00 N ATOM 909 CA ASP A 54 -8.001 -4.394 4.282 1.00 0.00 C ATOM 910 C ASP A 54 -8.770 -3.502 3.289 1.00 0.00 C ATOM 911 O ASP A 54 -9.657 -3.973 2.585 1.00 0.00 O ATOM 912 CB ASP A 54 -8.832 -4.637 5.542 1.00 0.00 C ATOM 913 CG ASP A 54 -10.107 -5.403 5.287 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.031 -6.647 5.116 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.201 -4.805 5.312 1.00 0.00 O ATOM 0 H ASP A 54 -6.665 -3.567 5.645 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.816 -5.336 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.228 -5.184 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.079 -3.677 5.995 1.00 0.00 H new ATOM 920 N ASN A 55 -8.404 -2.239 3.199 1.00 0.00 N ATOM 921 CA ASN A 55 -9.115 -1.296 2.324 1.00 0.00 C ATOM 922 C ASN A 55 -8.452 -1.219 0.941 1.00 0.00 C ATOM 923 O ASN A 55 -8.970 -0.595 0.015 1.00 0.00 O ATOM 924 CB ASN A 55 -9.168 0.096 2.993 1.00 0.00 C ATOM 925 CG ASN A 55 -10.036 1.119 2.257 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.242 1.194 2.486 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.440 1.937 1.429 1.00 0.00 N ATOM 0 H ASN A 55 -7.623 -1.832 3.714 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.134 -1.654 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.544 -0.017 4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.154 0.487 3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.977 2.662 0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.438 1.850 1.259 1.00 0.00 H new ATOM 934 N LEU A 56 -7.326 -1.874 0.797 1.00 0.00 N ATOM 935 CA LEU A 56 -6.596 -1.847 -0.458 1.00 0.00 C ATOM 936 C LEU A 56 -7.164 -2.860 -1.441 1.00 0.00 C ATOM 937 O LEU A 56 -7.615 -3.936 -1.036 1.00 0.00 O ATOM 938 CB LEU A 56 -5.084 -2.124 -0.266 1.00 0.00 C ATOM 939 CG LEU A 56 -4.209 -1.039 0.392 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.290 0.258 -0.369 1.00 0.00 C ATOM 941 CD2 LEU A 56 -4.586 -0.816 1.824 1.00 0.00 C ATOM 0 H LEU A 56 -6.891 -2.434 1.530 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.713 -0.840 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.988 -3.032 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.661 -2.340 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.181 -1.400 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.663 1.005 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.943 0.103 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.323 0.606 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.947 -0.044 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.627 -0.498 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.459 -1.744 2.382 1.00 0.00 H new ATOM 953 N PRO A 57 -7.189 -2.519 -2.746 1.00 0.00 N ATOM 954 CA PRO A 57 -7.591 -3.457 -3.796 1.00 0.00 C ATOM 955 C PRO A 57 -6.619 -4.642 -3.857 1.00 0.00 C ATOM 956 O PRO A 57 -5.452 -4.527 -3.413 1.00 0.00 O ATOM 957 CB PRO A 57 -7.475 -2.628 -5.082 1.00 0.00 C ATOM 958 CG PRO A 57 -7.549 -1.217 -4.633 1.00 0.00 C ATOM 959 CD PRO A 57 -6.878 -1.188 -3.298 1.00 0.00 C ATOM 0 HA PRO A 57 -8.586 -3.870 -3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.537 -2.830 -5.599 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.280 -2.864 -5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.048 -0.554 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.584 -0.882 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.803 -1.029 -3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.266 -0.388 -2.668 1.00 0.00 H new ATOM 967 N ILE A 58 -7.068 -5.756 -4.426 1.00 0.00 N ATOM 968 CA ILE A 58 -6.255 -6.969 -4.487 1.00 0.00 C ATOM 969 C ILE A 58 -4.915 -6.783 -5.193 1.00 0.00 C ATOM 970 O ILE A 58 -3.943 -7.406 -4.825 1.00 0.00 O ATOM 971 CB ILE A 58 -7.026 -8.247 -4.995 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.808 -8.026 -6.316 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.946 -8.791 -3.922 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.956 -7.934 -7.562 1.00 0.00 C ATOM 0 H ILE A 58 -7.990 -5.846 -4.852 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.020 -7.168 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.254 -8.984 -5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.518 -8.844 -6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.391 -7.109 -6.225 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.465 -9.672 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.360 -9.064 -3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.676 -8.029 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.597 -7.779 -8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.264 -7.097 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.393 -8.859 -7.687 1.00 0.00 H new ATOM 986 N GLU A 59 -4.857 -5.874 -6.160 1.00 0.00 N ATOM 987 CA GLU A 59 -3.619 -5.630 -6.890 1.00 0.00 C ATOM 988 C GLU A 59 -2.544 -5.020 -5.968 1.00 0.00 C ATOM 989 O GLU A 59 -1.356 -5.393 -6.031 1.00 0.00 O ATOM 990 CB GLU A 59 -3.864 -4.737 -8.116 1.00 0.00 C ATOM 991 CG GLU A 59 -4.345 -3.333 -7.789 1.00 0.00 C ATOM 992 CD GLU A 59 -4.520 -2.481 -9.007 1.00 0.00 C ATOM 993 OE1 GLU A 59 -3.517 -2.172 -9.689 1.00 0.00 O ATOM 994 OE2 GLU A 59 -5.655 -2.106 -9.318 1.00 0.00 O ATOM 0 H GLU A 59 -5.646 -5.298 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.249 -6.591 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.939 -4.666 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.601 -5.219 -8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.293 -3.394 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.631 -2.856 -7.117 1.00 0.00 H new ATOM 1001 N VAL A 60 -2.973 -4.129 -5.086 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.076 -3.465 -4.179 1.00 0.00 C ATOM 1003 C VAL A 60 -1.658 -4.439 -3.094 1.00 0.00 C ATOM 1004 O VAL A 60 -0.474 -4.575 -2.796 1.00 0.00 O ATOM 1005 CB VAL A 60 -2.730 -2.218 -3.542 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -1.725 -1.448 -2.691 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.343 -1.320 -4.609 1.00 0.00 C ATOM 0 H VAL A 60 -3.950 -3.854 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.204 -3.129 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.532 -2.557 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.211 -0.575 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.353 -2.093 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.892 -1.125 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.797 -0.450 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.566 -0.993 -5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.106 -1.874 -5.156 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.639 -5.164 -2.548 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.378 -6.161 -1.506 1.00 0.00 C ATOM 1019 C LYS A 61 -1.430 -7.248 -2.005 1.00 0.00 C ATOM 1020 O LYS A 61 -0.591 -7.756 -1.246 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.679 -6.765 -0.954 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.556 -5.765 -0.214 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.804 -6.408 0.402 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.730 -7.002 -0.650 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.993 -7.487 -0.056 1.00 0.00 N ATOM 0 H LYS A 61 -3.621 -5.079 -2.810 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.888 -5.644 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.249 -7.193 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.430 -7.585 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.972 -5.290 0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.862 -4.978 -0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.501 -7.190 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.347 -5.660 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.950 -6.250 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.226 -7.826 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.598 -7.885 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.785 -8.223 0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.486 -6.696 0.404 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.544 -7.573 -3.283 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.652 -8.524 -3.930 1.00 0.00 C ATOM 1041 C ASP A 62 0.784 -8.043 -3.881 1.00 0.00 C ATOM 1042 O ASP A 62 1.679 -8.781 -3.450 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.076 -8.783 -5.377 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.064 -9.599 -6.151 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.186 -10.774 -5.791 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.480 -9.090 -7.158 1.00 0.00 O ATOM 0 H ASP A 62 -2.257 -7.186 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.720 -9.463 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.034 -9.303 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.228 -7.829 -5.882 1.00 0.00 H new ATOM 1051 N LYS A 63 1.008 -6.797 -4.270 1.00 0.00 N ATOM 1052 CA LYS A 63 2.358 -6.264 -4.259 1.00 0.00 C ATOM 1053 C LYS A 63 2.887 -6.085 -2.844 1.00 0.00 C ATOM 1054 O LYS A 63 4.070 -6.342 -2.595 1.00 0.00 O ATOM 1055 CB LYS A 63 2.510 -4.981 -5.070 1.00 0.00 C ATOM 1056 CG LYS A 63 2.222 -5.152 -6.551 1.00 0.00 C ATOM 1057 CD LYS A 63 2.914 -4.086 -7.397 1.00 0.00 C ATOM 1058 CE LYS A 63 4.439 -4.260 -7.355 1.00 0.00 C ATOM 1059 NZ LYS A 63 5.147 -3.282 -8.195 1.00 0.00 N ATOM 0 H LYS A 63 0.288 -6.149 -4.591 1.00 0.00 H new ATOM 0 HA LYS A 63 2.971 -7.016 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.838 -4.224 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.525 -4.604 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.552 -6.140 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.146 -5.105 -6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.565 -4.150 -8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.647 -3.095 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.783 -4.164 -6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.695 -5.267 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.145 -3.235 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.087 -3.573 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.710 -2.345 -8.081 1.00 0.00 H new ATOM 1073 N LEU A 64 2.004 -5.686 -1.922 1.00 0.00 N ATOM 1074 CA LEU A 64 2.355 -5.537 -0.504 1.00 0.00 C ATOM 1075 C LEU A 64 2.888 -6.865 0.040 1.00 0.00 C ATOM 1076 O LEU A 64 3.968 -6.929 0.668 1.00 0.00 O ATOM 1077 CB LEU A 64 1.119 -5.111 0.328 1.00 0.00 C ATOM 1078 CG LEU A 64 0.487 -3.739 0.023 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.737 -3.512 0.899 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.483 -2.617 0.245 1.00 0.00 C ATOM 0 H LEU A 64 1.033 -5.459 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 64 3.120 -4.765 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.349 -5.871 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.403 -5.123 1.380 1.00 0.00 H new ATOM 0 HG LEU A 64 0.188 -3.737 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.172 -2.539 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.473 -4.292 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.444 -3.542 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.010 -1.661 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.814 -2.625 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.342 -2.758 -0.411 1.00 0.00 H new ATOM 1092 N THR A 65 2.145 -7.915 -0.242 1.00 0.00 N ATOM 1093 CA THR A 65 2.469 -9.251 0.181 1.00 0.00 C ATOM 1094 C THR A 65 3.838 -9.707 -0.371 1.00 0.00 C ATOM 1095 O THR A 65 4.692 -10.171 0.382 1.00 0.00 O ATOM 1096 CB THR A 65 1.335 -10.224 -0.241 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.100 -9.801 0.377 1.00 0.00 O ATOM 1098 CG2 THR A 65 1.638 -11.662 0.161 1.00 0.00 C ATOM 0 H THR A 65 1.282 -7.857 -0.783 1.00 0.00 H new ATOM 0 HA THR A 65 2.551 -9.259 1.268 1.00 0.00 H new ATOM 0 HB THR A 65 1.251 -10.197 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.255 -9.023 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.818 -12.308 -0.154 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.561 -11.987 -0.319 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.751 -11.721 1.243 1.00 0.00 H new ATOM 1106 N ARG A 66 4.068 -9.493 -1.655 1.00 0.00 N ATOM 1107 CA ARG A 66 5.304 -9.951 -2.292 1.00 0.00 C ATOM 1108 C ARG A 66 6.517 -9.105 -1.876 1.00 0.00 C ATOM 1109 O ARG A 66 7.657 -9.584 -1.909 1.00 0.00 O ATOM 1110 CB ARG A 66 5.177 -9.926 -3.817 1.00 0.00 C ATOM 1111 CG ARG A 66 4.003 -10.718 -4.368 1.00 0.00 C ATOM 1112 CD ARG A 66 3.980 -10.661 -5.882 1.00 0.00 C ATOM 1113 NE ARG A 66 2.761 -11.230 -6.451 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.702 -12.056 -7.489 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.809 -12.606 -7.978 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.524 -12.356 -8.009 1.00 0.00 N ATOM 0 H ARG A 66 3.423 -9.008 -2.279 1.00 0.00 H new ATOM 0 HA ARG A 66 5.464 -10.975 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.085 -8.890 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.097 -10.316 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.072 -11.755 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.070 -10.319 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.076 -9.624 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.844 -11.198 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 66 1.878 -10.970 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.713 -12.395 -7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.754 -13.239 -8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.674 -11.954 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.465 -12.989 -8.806 1.00 0.00 H new ATOM 1130 N PHE A 67 6.278 -7.863 -1.483 1.00 0.00 N ATOM 1131 CA PHE A 67 7.372 -6.956 -1.164 1.00 0.00 C ATOM 1132 C PHE A 67 7.877 -7.138 0.259 1.00 0.00 C ATOM 1133 O PHE A 67 9.065 -7.379 0.472 1.00 0.00 O ATOM 1134 CB PHE A 67 6.975 -5.482 -1.391 1.00 0.00 C ATOM 1135 CG PHE A 67 8.141 -4.507 -1.324 1.00 0.00 C ATOM 1136 CD1 PHE A 67 8.534 -3.930 -0.121 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.838 -4.170 -2.472 1.00 0.00 C ATOM 1138 CE1 PHE A 67 9.593 -3.047 -0.071 1.00 0.00 C ATOM 1139 CE2 PHE A 67 9.898 -3.284 -2.424 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.275 -2.723 -1.223 1.00 0.00 C ATOM 0 H PHE A 67 5.346 -7.462 -1.378 1.00 0.00 H new ATOM 0 HA PHE A 67 8.183 -7.211 -1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.496 -5.392 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.234 -5.197 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.003 -4.177 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.550 -4.605 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.887 -2.610 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.431 -3.031 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.103 -2.031 -1.185 1.00 0.00 H new ATOM 1150 N PHE A 68 6.996 -7.016 1.230 1.00 0.00 N ATOM 1151 CA PHE A 68 7.446 -7.025 2.615 1.00 0.00 C ATOM 1152 C PHE A 68 6.870 -8.150 3.463 1.00 0.00 C ATOM 1153 O PHE A 68 7.384 -8.422 4.548 1.00 0.00 O ATOM 1154 CB PHE A 68 7.210 -5.663 3.284 1.00 0.00 C ATOM 1155 CG PHE A 68 5.788 -5.194 3.227 1.00 0.00 C ATOM 1156 CD1 PHE A 68 4.847 -5.675 4.122 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.391 -4.281 2.273 1.00 0.00 C ATOM 1158 CE1 PHE A 68 3.546 -5.258 4.061 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.095 -3.857 2.210 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.167 -4.347 3.103 1.00 0.00 C ATOM 0 H PHE A 68 5.990 -6.912 1.098 1.00 0.00 H new ATOM 0 HA PHE A 68 8.517 -7.221 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.520 -5.724 4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.847 -4.919 2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.144 -6.388 4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.113 -3.897 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.820 -5.642 4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.797 -3.138 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.141 -4.015 3.051 1.00 0.00 H new ATOM 1170 N LEU A 69 5.797 -8.784 3.031 1.00 0.00 N ATOM 1171 CA LEU A 69 5.259 -9.871 3.836 1.00 0.00 C ATOM 1172 C LEU A 69 6.134 -11.093 3.575 1.00 0.00 C ATOM 1173 O LEU A 69 6.424 -11.906 4.465 1.00 0.00 O ATOM 1174 CB LEU A 69 3.790 -10.139 3.508 1.00 0.00 C ATOM 1175 CG LEU A 69 3.023 -10.922 4.569 1.00 0.00 C ATOM 1176 CD1 LEU A 69 2.888 -10.093 5.849 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.657 -11.351 4.059 1.00 0.00 C ATOM 0 H LEU A 69 5.296 -8.581 2.166 1.00 0.00 H new ATOM 0 HA LEU A 69 5.279 -9.612 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.289 -9.184 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.738 -10.686 2.566 1.00 0.00 H new ATOM 0 HG LEU A 69 3.589 -11.825 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.338 -10.665 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.879 -9.852 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.350 -9.171 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.136 -11.907 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.075 -10.469 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.779 -11.985 3.181 1.00 0.00 H new ATOM 1189 N LEU A 70 6.567 -11.174 2.346 1.00 0.00 N ATOM 1190 CA LEU A 70 7.562 -12.086 1.901 1.00 0.00 C ATOM 1191 C LEU A 70 8.870 -11.363 1.986 1.00 0.00 C ATOM 1192 O LEU A 70 9.324 -10.783 1.024 1.00 0.00 O ATOM 1193 CB LEU A 70 7.323 -12.558 0.447 1.00 0.00 C ATOM 1194 CG LEU A 70 6.355 -13.726 0.209 1.00 0.00 C ATOM 1195 CD1 LEU A 70 6.906 -15.000 0.812 1.00 0.00 C ATOM 1196 CD2 LEU A 70 4.960 -13.438 0.748 1.00 0.00 C ATOM 0 H LEU A 70 6.213 -10.574 1.601 1.00 0.00 H new ATOM 0 HA LEU A 70 7.541 -12.981 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.959 -11.704 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.289 -12.836 0.025 1.00 0.00 H new ATOM 0 HG LEU A 70 6.262 -13.854 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.208 -15.818 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.865 -15.235 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.042 -14.865 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.312 -14.293 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.015 -13.258 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.553 -12.556 0.253 1.00 0.00 H new ATOM 1208 N GLU A 71 9.355 -11.264 3.175 1.00 0.00 N ATOM 1209 CA GLU A 71 10.627 -10.638 3.451 1.00 0.00 C ATOM 1210 C GLU A 71 11.349 -11.505 4.480 1.00 0.00 C ATOM 1211 O GLU A 71 10.758 -12.464 4.991 1.00 0.00 O ATOM 1212 CB GLU A 71 10.399 -9.227 4.016 1.00 0.00 C ATOM 1213 CG GLU A 71 11.610 -8.303 3.966 1.00 0.00 C ATOM 1214 CD GLU A 71 11.405 -7.042 4.751 1.00 0.00 C ATOM 1215 OE1 GLU A 71 10.664 -6.143 4.305 1.00 0.00 O ATOM 1216 OE2 GLU A 71 11.984 -6.923 5.851 1.00 0.00 O ATOM 0 H GLU A 71 8.880 -11.618 4.006 1.00 0.00 H new ATOM 0 HA GLU A 71 11.222 -10.549 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.583 -8.760 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.073 -9.316 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.481 -8.831 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.827 -8.050 2.928 1.00 0.00 H new ATOM 1223 N HIS A 72 12.594 -11.166 4.782 1.00 0.00 N ATOM 1224 CA HIS A 72 13.451 -11.864 5.748 1.00 0.00 C ATOM 1225 C HIS A 72 13.696 -13.319 5.407 1.00 0.00 C ATOM 1226 O HIS A 72 13.239 -14.240 6.087 1.00 0.00 O ATOM 1227 CB HIS A 72 13.137 -11.605 7.273 1.00 0.00 C ATOM 1228 CG HIS A 72 11.760 -11.975 7.789 1.00 0.00 C ATOM 1229 ND1 HIS A 72 10.772 -11.045 8.005 1.00 0.00 N ATOM 1230 CD2 HIS A 72 11.230 -13.164 8.164 1.00 0.00 C ATOM 1231 CE1 HIS A 72 9.702 -11.636 8.485 1.00 0.00 C ATOM 1232 NE2 HIS A 72 9.951 -12.921 8.593 1.00 0.00 N ATOM 0 H HIS A 72 13.059 -10.368 4.348 1.00 0.00 H new ATOM 0 HA HIS A 72 14.412 -11.367 5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 72 13.873 -12.152 7.863 1.00 0.00 H new ATOM 0 HB3 HIS A 72 13.294 -10.545 7.471 1.00 0.00 H new ATOM 0 HD2 HIS A 72 11.723 -14.124 8.131 1.00 0.00 H new ATOM 0 HE1 HIS A 72 8.775 -11.148 8.747 1.00 0.00 H new ATOM 0 HE2 HIS A 72 9.299 -13.624 8.940 1.00 0.00 H new ATOM 1241 N HIS A 73 14.340 -13.511 4.293 1.00 0.00 N ATOM 1242 CA HIS A 73 14.767 -14.810 3.817 1.00 0.00 C ATOM 1243 C HIS A 73 16.124 -14.595 3.193 1.00 0.00 C ATOM 1244 O HIS A 73 16.770 -13.580 3.460 1.00 0.00 O ATOM 1245 CB HIS A 73 13.815 -15.364 2.736 1.00 0.00 C ATOM 1246 CG HIS A 73 12.388 -15.538 3.147 1.00 0.00 C ATOM 1247 ND1 HIS A 73 11.427 -14.620 2.853 1.00 0.00 N ATOM 1248 CD2 HIS A 73 11.755 -16.550 3.773 1.00 0.00 C ATOM 1249 CE1 HIS A 73 10.264 -15.043 3.271 1.00 0.00 C ATOM 1250 NE2 HIS A 73 10.433 -16.219 3.835 1.00 0.00 N ATOM 0 H HIS A 73 14.594 -12.748 3.665 1.00 0.00 H new ATOM 0 HA HIS A 73 14.780 -15.524 4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.846 -14.695 1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 73 14.197 -16.329 2.404 1.00 0.00 H new ATOM 0 HD1 HIS A 73 11.591 -13.733 2.377 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.209 -17.453 4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.326 -14.518 3.171 1.00 0.00 H new ATOM 1259 N HIS A 74 16.563 -15.516 2.381 1.00 0.00 N ATOM 1260 CA HIS A 74 17.810 -15.359 1.673 1.00 0.00 C ATOM 1261 C HIS A 74 17.575 -15.750 0.209 1.00 0.00 C ATOM 1262 O HIS A 74 18.488 -16.116 -0.528 1.00 0.00 O ATOM 1263 CB HIS A 74 18.881 -16.233 2.319 1.00 0.00 C ATOM 1264 CG HIS A 74 20.264 -15.815 1.965 1.00 0.00 C ATOM 1265 ND1 HIS A 74 21.091 -16.541 1.160 1.00 0.00 N ATOM 1266 CD2 HIS A 74 20.967 -14.729 2.339 1.00 0.00 C ATOM 1267 CE1 HIS A 74 22.240 -15.927 1.053 1.00 0.00 C ATOM 1268 NE2 HIS A 74 22.194 -14.822 1.758 1.00 0.00 N ATOM 0 H HIS A 74 16.074 -16.391 2.190 1.00 0.00 H new ATOM 0 HA HIS A 74 18.158 -14.327 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.764 -16.201 3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.731 -17.268 2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.621 -13.932 2.981 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.087 -16.272 0.479 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.951 -14.146 1.855 1.00 0.00 H new ATOM 1277 N HIS A 75 16.335 -15.607 -0.203 1.00 0.00 N ATOM 1278 CA HIS A 75 15.889 -15.995 -1.540 1.00 0.00 C ATOM 1279 C HIS A 75 16.033 -14.812 -2.507 1.00 0.00 C ATOM 1280 O HIS A 75 16.471 -14.972 -3.650 1.00 0.00 O ATOM 1281 CB HIS A 75 14.416 -16.445 -1.460 1.00 0.00 C ATOM 1282 CG HIS A 75 13.838 -17.018 -2.728 1.00 0.00 C ATOM 1283 ND1 HIS A 75 13.516 -18.340 -2.868 1.00 0.00 N ATOM 1284 CD2 HIS A 75 13.502 -16.435 -3.897 1.00 0.00 C ATOM 1285 CE1 HIS A 75 13.015 -18.545 -4.059 1.00 0.00 C ATOM 1286 NE2 HIS A 75 12.997 -17.408 -4.706 1.00 0.00 N ATOM 0 H HIS A 75 15.595 -15.215 0.379 1.00 0.00 H new ATOM 0 HA HIS A 75 16.502 -16.816 -1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 75 14.326 -17.192 -0.671 1.00 0.00 H new ATOM 0 HB3 HIS A 75 13.810 -15.590 -1.160 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.613 -15.390 -4.146 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.673 -19.494 -4.444 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.660 -17.272 -5.659 1.00 0.00 H new ATOM 1295 N HIS A 76 15.665 -13.652 -2.017 1.00 0.00 N ATOM 1296 CA HIS A 76 15.666 -12.381 -2.742 1.00 0.00 C ATOM 1297 C HIS A 76 15.070 -11.392 -1.766 1.00 0.00 C ATOM 1298 O HIS A 76 15.577 -10.298 -1.561 1.00 0.00 O ATOM 1299 CB HIS A 76 14.801 -12.440 -4.037 1.00 0.00 C ATOM 1300 CG HIS A 76 14.967 -11.263 -4.979 1.00 0.00 C ATOM 1301 ND1 HIS A 76 14.970 -11.397 -6.346 1.00 0.00 N ATOM 1302 CD2 HIS A 76 15.102 -9.931 -4.747 1.00 0.00 C ATOM 1303 CE1 HIS A 76 15.100 -10.220 -6.907 1.00 0.00 C ATOM 1304 NE2 HIS A 76 15.183 -9.315 -5.959 1.00 0.00 N ATOM 0 H HIS A 76 15.339 -13.553 -1.056 1.00 0.00 H new ATOM 0 HA HIS A 76 16.671 -12.114 -3.070 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.046 -13.354 -4.577 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.752 -12.511 -3.751 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.138 -9.450 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.133 -10.027 -7.969 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.291 -8.312 -6.107 1.00 0.00 H new ATOM 1313 N HIS A 77 13.984 -11.801 -1.174 1.00 0.00 N ATOM 1314 CA HIS A 77 13.361 -11.093 -0.088 1.00 0.00 C ATOM 1315 C HIS A 77 13.385 -11.990 1.121 1.00 0.00 C ATOM 1316 O HIS A 77 12.439 -12.781 1.308 1.00 0.00 O ATOM 1317 CB HIS A 77 11.919 -10.697 -0.402 1.00 0.00 C ATOM 1318 CG HIS A 77 11.743 -9.519 -1.294 1.00 0.00 C ATOM 1319 ND1 HIS A 77 10.515 -9.105 -1.744 1.00 0.00 N ATOM 1320 CD2 HIS A 77 12.631 -8.631 -1.781 1.00 0.00 C ATOM 1321 CE1 HIS A 77 10.653 -8.022 -2.465 1.00 0.00 C ATOM 1322 NE2 HIS A 77 11.928 -7.709 -2.504 1.00 0.00 N ATOM 1323 OXT HIS A 77 14.391 -11.972 1.851 1.00 0.00 O ATOM 0 H HIS A 77 13.494 -12.656 -1.438 1.00 0.00 H new ATOM 0 HA HIS A 77 13.912 -10.169 0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 77 11.421 -11.551 -0.860 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.406 -10.495 0.538 1.00 0.00 H new ATOM 0 HD1 HIS A 77 9.629 -9.571 -1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 77 13.700 -8.645 -1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.854 -7.478 -2.946 1.00 0.00 H new TER 1332 HIS A 77