USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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 81 LYS NZ :NH3+ 151:sc= 0.0509 (180deg=0) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.0513 USER MOD Set 2.1: A 49 SER OG : rot -76:sc= 1.06 USER MOD Set 2.2: A 53 THR OG1 : rot -70:sc= 2.23 USER MOD Set 3.1: A 25 HIS : no HE2:sc= 0.686 K(o=0.69,f=-6.6!) USER MOD Set 3.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 10 SER OG : rot -129:sc= 0.366 USER MOD Set 4.2: A 12 ASN : amide:sc= -2.22 K(o=-1.9,f=-0.091) USER MOD Single : A 1 ARG N :NH3+ -112:sc= 0.457 (180deg=-0.0596) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000421) USER MOD Single : A 5 TYR OH : rot 110:sc= -0.0506 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.861 K(o=-0.86,f=-0.16) USER MOD Single : A 21 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.028) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 76:sc= 1.27 USER MOD Single : A 55 GLN : amide:sc= 0.339 K(o=0.34,f=-0.22) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.09 K(o=1.8,f=-5.7!) USER MOD Single : A 60 THR OG1 : rot -144:sc= 1.11 USER MOD Single : A 61 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.26) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc=-0.00886 X(o=-0.0089,f=-0.032) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -46:sc= 1.23 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 77 HIS : no HE2:sc= 0.565 K(o=0.56,f=-2.2!) USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= 0.439 (180deg=-0.0278) USER MOD Single : A 82 ASN : amide:sc= 0.882 K(o=0.88,f=-0.29) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 137:sc= 0.599 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00669) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 0:sc= 0.663 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.7) USER MOD Single : A 107 THR OG1 : rot -166:sc= 0.0486 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -150:sc= -0.0784 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 17.730 -5.854 18.699 1.00 0.00 N ATOM 2 CA ARG A 1 18.311 -5.862 17.328 1.00 0.00 C ATOM 3 C ARG A 1 17.930 -7.146 16.573 1.00 0.00 C ATOM 4 O ARG A 1 18.609 -8.160 16.749 1.00 0.00 O ATOM 5 CB ARG A 1 19.838 -5.627 17.399 1.00 0.00 C ATOM 6 CG ARG A 1 20.528 -5.561 16.024 1.00 0.00 C ATOM 7 CD ARG A 1 21.994 -5.132 16.160 1.00 0.00 C ATOM 8 NE ARG A 1 22.100 -3.698 16.471 1.00 0.00 N ATOM 9 CZ ARG A 1 23.180 -2.980 16.684 1.00 0.00 C ATOM 10 NH1 ARG A 1 24.376 -3.494 16.672 1.00 0.00 N ATOM 11 NH2 ARG A 1 23.054 -1.707 16.913 1.00 0.00 N ATOM 0 H1 ARG A 1 17.001 -5.115 18.763 1.00 0.00 H new ATOM 0 H2 ARG A 1 17.303 -6.781 18.900 1.00 0.00 H new ATOM 0 H3 ARG A 1 18.480 -5.661 19.393 1.00 0.00 H new ATOM 0 HA ARG A 1 17.887 -5.040 16.751 1.00 0.00 H new ATOM 0 HB2 ARG A 1 20.027 -4.696 17.934 1.00 0.00 H new ATOM 0 HB3 ARG A 1 20.291 -6.428 17.983 1.00 0.00 H new ATOM 0 HG2 ARG A 1 20.475 -6.536 15.540 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.998 -4.857 15.382 1.00 0.00 H new ATOM 0 HD2 ARG A 1 22.475 -5.714 16.946 1.00 0.00 H new ATOM 0 HD3 ARG A 1 22.526 -5.347 15.233 1.00 0.00 H new ATOM 0 HE ARG A 1 21.216 -3.193 16.529 1.00 0.00 H new ATOM 0 HH11 ARG A 1 24.501 -4.490 16.492 1.00 0.00 H new ATOM 0 HH12 ARG A 1 25.188 -2.901 16.842 1.00 0.00 H new ATOM 0 HH21 ARG A 1 22.128 -1.280 16.925 1.00 0.00 H new ATOM 0 HH22 ARG A 1 23.881 -1.135 17.080 1.00 0.00 H new ATOM 27 N PRO A 2 16.860 -7.146 15.744 1.00 0.00 N ATOM 28 CA PRO A 2 16.489 -8.319 14.937 1.00 0.00 C ATOM 29 C PRO A 2 17.464 -8.541 13.766 1.00 0.00 C ATOM 30 O PRO A 2 18.106 -9.587 13.675 1.00 0.00 O ATOM 31 CB PRO A 2 15.054 -8.057 14.463 1.00 0.00 C ATOM 32 CG PRO A 2 14.921 -6.533 14.464 1.00 0.00 C ATOM 33 CD PRO A 2 15.868 -6.080 15.577 1.00 0.00 C ATOM 0 HA PRO A 2 16.545 -9.239 15.519 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.883 -8.469 13.469 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.326 -8.519 15.129 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.204 -6.107 13.501 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.895 -6.222 14.661 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.351 -5.139 15.315 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.322 -5.910 16.505 1.00 0.00 H new ATOM 41 N CYS A 3 17.588 -7.536 12.893 1.00 0.00 N ATOM 42 CA CYS A 3 18.501 -7.452 11.751 1.00 0.00 C ATOM 43 C CYS A 3 19.076 -6.024 11.645 1.00 0.00 C ATOM 44 O CYS A 3 18.632 -5.114 12.353 1.00 0.00 O ATOM 45 CB CYS A 3 17.751 -7.849 10.466 1.00 0.00 C ATOM 46 SG CYS A 3 17.073 -9.537 10.467 1.00 0.00 S ATOM 0 H CYS A 3 17.010 -6.699 12.973 1.00 0.00 H new ATOM 0 HA CYS A 3 19.334 -8.141 11.890 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.934 -7.145 10.307 1.00 0.00 H new ATOM 0 HB3 CYS A 3 18.430 -7.746 9.620 1.00 0.00 H new ATOM 51 N LYS A 4 20.054 -5.818 10.759 1.00 0.00 N ATOM 52 CA LYS A 4 20.655 -4.505 10.462 1.00 0.00 C ATOM 53 C LYS A 4 19.917 -3.828 9.297 1.00 0.00 C ATOM 54 O LYS A 4 19.625 -4.470 8.286 1.00 0.00 O ATOM 55 CB LYS A 4 22.147 -4.692 10.126 1.00 0.00 C ATOM 56 CG LYS A 4 22.995 -5.315 11.254 1.00 0.00 C ATOM 57 CD LYS A 4 23.247 -4.390 12.458 1.00 0.00 C ATOM 58 CE LYS A 4 24.212 -3.229 12.162 1.00 0.00 C ATOM 59 NZ LYS A 4 25.617 -3.694 11.989 1.00 0.00 N ATOM 0 H LYS A 4 20.463 -6.575 10.212 1.00 0.00 H new ATOM 0 HA LYS A 4 20.564 -3.860 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 4 22.229 -5.322 9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.570 -3.721 9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.498 -6.219 11.606 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.956 -5.620 10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.294 -3.981 12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.648 -4.982 13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.889 -2.712 11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 4 24.168 -2.506 12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 26.234 -2.876 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 25.931 -4.180 12.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.669 -4.351 11.184 1.00 0.00 H new ATOM 73 N TYR A 5 19.658 -2.525 9.425 1.00 0.00 N ATOM 74 CA TYR A 5 19.016 -1.685 8.405 1.00 0.00 C ATOM 75 C TYR A 5 19.706 -0.313 8.271 1.00 0.00 C ATOM 76 O TYR A 5 20.470 0.110 9.145 1.00 0.00 O ATOM 77 CB TYR A 5 17.530 -1.459 8.739 1.00 0.00 C ATOM 78 CG TYR A 5 16.650 -2.679 8.957 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.629 -3.293 10.225 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.763 -3.118 7.952 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.697 -4.307 10.513 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.809 -4.112 8.250 1.00 0.00 C ATOM 83 CZ TYR A 5 14.769 -4.705 9.528 1.00 0.00 C ATOM 84 OH TYR A 5 13.825 -5.644 9.810 1.00 0.00 O ATOM 0 H TYR A 5 19.897 -2.005 10.270 1.00 0.00 H new ATOM 0 HA TYR A 5 19.108 -2.219 7.459 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.480 -0.847 9.640 1.00 0.00 H new ATOM 0 HB3 TYR A 5 17.092 -0.873 7.931 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.334 -2.983 10.982 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.814 -2.695 6.960 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.692 -4.779 11.484 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.103 -4.422 7.493 1.00 0.00 H new ATOM 0 HH TYR A 5 12.942 -5.220 9.844 1.00 0.00 H new ATOM 94 N LYS A 6 19.404 0.394 7.177 1.00 0.00 N ATOM 95 CA LYS A 6 19.931 1.715 6.796 1.00 0.00 C ATOM 96 C LYS A 6 18.959 2.852 7.158 1.00 0.00 C ATOM 97 O LYS A 6 17.751 2.635 7.278 1.00 0.00 O ATOM 98 CB LYS A 6 20.182 1.696 5.277 1.00 0.00 C ATOM 99 CG LYS A 6 21.184 0.606 4.835 1.00 0.00 C ATOM 100 CD LYS A 6 20.899 0.091 3.419 1.00 0.00 C ATOM 101 CE LYS A 6 21.062 1.193 2.363 1.00 0.00 C ATOM 102 NZ LYS A 6 20.907 0.662 0.981 1.00 0.00 N ATOM 0 H LYS A 6 18.742 0.038 6.487 1.00 0.00 H new ATOM 0 HA LYS A 6 20.853 1.905 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.235 1.539 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.556 2.671 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 6 22.196 1.008 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 6 21.144 -0.227 5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.575 -0.733 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.885 -0.306 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.323 1.975 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.044 1.654 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.024 1.436 0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.628 -0.067 0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.960 0.245 0.874 1.00 0.00 H new ATOM 116 N LEU A 7 19.484 4.075 7.264 1.00 0.00 N ATOM 117 CA LEU A 7 18.744 5.321 7.519 1.00 0.00 C ATOM 118 C LEU A 7 18.332 6.013 6.208 1.00 0.00 C ATOM 119 O LEU A 7 19.179 6.537 5.479 1.00 0.00 O ATOM 120 CB LEU A 7 19.593 6.249 8.425 1.00 0.00 C ATOM 121 CG LEU A 7 19.147 6.344 9.898 1.00 0.00 C ATOM 122 CD1 LEU A 7 17.784 7.027 10.037 1.00 0.00 C ATOM 123 CD2 LEU A 7 19.107 4.986 10.599 1.00 0.00 C ATOM 0 H LEU A 7 20.487 4.235 7.170 1.00 0.00 H new ATOM 0 HA LEU A 7 17.817 5.082 8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.626 5.903 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.582 7.251 7.997 1.00 0.00 H new ATOM 0 HG LEU A 7 19.906 6.953 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.506 7.074 11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.840 8.037 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.034 6.457 9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.786 5.119 11.632 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.406 4.331 10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.101 4.539 10.583 1.00 0.00 H new ATOM 135 N LYS A 8 17.024 6.016 5.916 1.00 0.00 N ATOM 136 CA LYS A 8 16.394 6.663 4.753 1.00 0.00 C ATOM 137 C LYS A 8 15.116 7.421 5.158 1.00 0.00 C ATOM 138 O LYS A 8 14.133 6.827 5.592 1.00 0.00 O ATOM 139 CB LYS A 8 16.132 5.585 3.682 1.00 0.00 C ATOM 140 CG LYS A 8 15.412 6.086 2.418 1.00 0.00 C ATOM 141 CD LYS A 8 16.231 7.103 1.611 1.00 0.00 C ATOM 142 CE LYS A 8 15.482 7.455 0.319 1.00 0.00 C ATOM 143 NZ LYS A 8 16.248 8.418 -0.516 1.00 0.00 N ATOM 0 H LYS A 8 16.343 5.545 6.512 1.00 0.00 H new ATOM 0 HA LYS A 8 17.061 7.417 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.086 5.146 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.538 4.788 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.177 5.233 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.464 6.541 2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.398 8.003 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.212 6.690 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.295 6.546 -0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.510 7.881 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.711 8.632 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.404 9.295 0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.166 8.001 -0.773 1.00 0.00 H new ATOM 157 N LYS A 9 15.116 8.747 5.008 1.00 0.00 N ATOM 158 CA LYS A 9 13.950 9.618 5.275 1.00 0.00 C ATOM 159 C LYS A 9 13.557 10.427 4.036 1.00 0.00 C ATOM 160 O LYS A 9 14.412 10.763 3.213 1.00 0.00 O ATOM 161 CB LYS A 9 14.248 10.538 6.476 1.00 0.00 C ATOM 162 CG LYS A 9 14.622 9.806 7.781 1.00 0.00 C ATOM 163 CD LYS A 9 13.451 9.028 8.409 1.00 0.00 C ATOM 164 CE LYS A 9 13.901 8.107 9.555 1.00 0.00 C ATOM 165 NZ LYS A 9 14.541 8.850 10.676 1.00 0.00 N ATOM 0 H LYS A 9 15.937 9.263 4.692 1.00 0.00 H new ATOM 0 HA LYS A 9 13.097 8.986 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.064 11.209 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.373 11.160 6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.440 9.114 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.992 10.534 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.710 9.734 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.961 8.432 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.039 7.559 9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.603 7.369 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.824 8.180 11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.381 9.353 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.865 9.537 11.068 1.00 0.00 H new ATOM 179 N SER A 10 12.269 10.750 3.913 1.00 0.00 N ATOM 180 CA SER A 10 11.715 11.626 2.869 1.00 0.00 C ATOM 181 C SER A 10 10.465 12.373 3.356 1.00 0.00 C ATOM 182 O SER A 10 9.919 12.065 4.418 1.00 0.00 O ATOM 183 CB SER A 10 11.378 10.804 1.617 1.00 0.00 C ATOM 184 OG SER A 10 11.299 11.677 0.502 1.00 0.00 O ATOM 0 H SER A 10 11.557 10.401 4.555 1.00 0.00 H new ATOM 0 HA SER A 10 12.473 12.370 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.141 10.045 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.432 10.280 1.753 1.00 0.00 H new ATOM 0 HG SER A 10 10.455 11.526 0.028 1.00 0.00 H new ATOM 190 N THR A 11 9.981 13.340 2.571 1.00 0.00 N ATOM 191 CA THR A 11 8.740 14.076 2.849 1.00 0.00 C ATOM 192 C THR A 11 7.954 14.329 1.562 1.00 0.00 C ATOM 193 O THR A 11 8.342 15.168 0.747 1.00 0.00 O ATOM 194 CB THR A 11 8.986 15.405 3.583 1.00 0.00 C ATOM 195 OG1 THR A 11 9.919 15.288 4.639 1.00 0.00 O ATOM 196 CG2 THR A 11 7.669 15.849 4.212 1.00 0.00 C ATOM 0 H THR A 11 10.445 13.639 1.713 1.00 0.00 H new ATOM 0 HA THR A 11 8.152 13.442 3.513 1.00 0.00 H new ATOM 0 HB THR A 11 9.377 16.110 2.850 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.038 16.161 5.069 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.817 16.791 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.920 15.984 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.327 15.089 4.915 1.00 0.00 H new ATOM 204 N ASN A 12 6.872 13.572 1.347 1.00 0.00 N ATOM 205 CA ASN A 12 6.077 13.563 0.109 1.00 0.00 C ATOM 206 C ASN A 12 4.743 12.805 0.262 1.00 0.00 C ATOM 207 O ASN A 12 4.506 12.149 1.274 1.00 0.00 O ATOM 208 CB ASN A 12 6.924 12.972 -1.045 1.00 0.00 C ATOM 209 CG ASN A 12 7.663 11.675 -0.747 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.783 11.462 -1.185 1.00 0.00 O ATOM 211 ND2 ASN A 12 7.084 10.750 -0.024 1.00 0.00 N ATOM 0 H ASN A 12 6.512 12.927 2.051 1.00 0.00 H new ATOM 0 HA ASN A 12 5.813 14.595 -0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.268 12.803 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.656 13.720 -1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.568 9.872 0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.149 10.907 0.352 1.00 0.00 H new ATOM 218 N LYS A 13 3.893 12.870 -0.769 1.00 0.00 N ATOM 219 CA LYS A 13 2.685 12.044 -0.962 1.00 0.00 C ATOM 220 C LYS A 13 2.971 10.540 -1.081 1.00 0.00 C ATOM 221 O LYS A 13 4.116 10.105 -1.223 1.00 0.00 O ATOM 222 CB LYS A 13 1.880 12.554 -2.177 1.00 0.00 C ATOM 223 CG LYS A 13 2.695 12.926 -3.426 1.00 0.00 C ATOM 224 CD LYS A 13 2.746 14.451 -3.591 1.00 0.00 C ATOM 225 CE LYS A 13 3.530 14.831 -4.854 1.00 0.00 C ATOM 226 NZ LYS A 13 3.593 16.306 -5.036 1.00 0.00 N ATOM 0 H LYS A 13 4.032 13.532 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 13 2.088 12.155 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.158 11.786 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.310 13.430 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.706 12.528 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.247 12.472 -4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.733 14.850 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.215 14.902 -2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.541 14.428 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.060 14.376 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.130 16.527 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.629 16.687 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.064 16.737 -4.215 1.00 0.00 H new ATOM 240 N PHE A 14 1.898 9.757 -1.093 1.00 0.00 N ATOM 241 CA PHE A 14 1.885 8.301 -1.262 1.00 0.00 C ATOM 242 C PHE A 14 0.724 7.885 -2.174 1.00 0.00 C ATOM 243 O PHE A 14 -0.266 8.612 -2.305 1.00 0.00 O ATOM 244 CB PHE A 14 1.808 7.610 0.115 1.00 0.00 C ATOM 245 CG PHE A 14 0.746 8.164 1.054 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.617 7.867 0.854 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.121 9.013 2.113 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.599 8.471 1.662 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.139 9.598 2.931 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.221 9.367 2.677 1.00 0.00 C ATOM 0 H PHE A 14 0.959 10.139 -0.979 1.00 0.00 H new ATOM 0 HA PHE A 14 2.811 7.983 -1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.617 6.548 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.780 7.693 0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.909 7.174 0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.166 9.215 2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.643 8.246 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.433 10.228 3.758 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.975 9.876 3.259 1.00 0.00 H new ATOM 260 N CYS A 15 0.857 6.725 -2.818 1.00 0.00 N ATOM 261 CA CYS A 15 -0.176 6.099 -3.647 1.00 0.00 C ATOM 262 C CYS A 15 -0.676 4.783 -3.036 1.00 0.00 C ATOM 263 O CYS A 15 0.083 4.020 -2.432 1.00 0.00 O ATOM 264 CB CYS A 15 0.336 5.886 -5.078 1.00 0.00 C ATOM 265 SG CYS A 15 -0.980 5.419 -6.242 1.00 0.00 S ATOM 0 H CYS A 15 1.716 6.176 -2.776 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.027 6.779 -3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.814 6.801 -5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.101 5.109 -5.072 1.00 0.00 H new ATOM 270 N VAL A 16 -1.965 4.511 -3.243 1.00 0.00 N ATOM 271 CA VAL A 16 -2.724 3.369 -2.682 1.00 0.00 C ATOM 272 C VAL A 16 -3.847 2.906 -3.634 1.00 0.00 C ATOM 273 O VAL A 16 -4.016 3.483 -4.708 1.00 0.00 O ATOM 274 CB VAL A 16 -3.308 3.726 -1.294 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.262 3.882 -0.193 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.149 5.004 -1.319 1.00 0.00 C ATOM 0 H VAL A 16 -2.546 5.105 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.025 2.541 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.933 2.864 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.756 4.132 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.714 2.947 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.568 4.679 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.533 5.206 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.531 5.840 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.983 4.877 -2.009 1.00 0.00 H new ATOM 286 N THR A 17 -4.646 1.898 -3.253 1.00 0.00 N ATOM 287 CA THR A 17 -5.819 1.408 -4.017 1.00 0.00 C ATOM 288 C THR A 17 -7.092 1.405 -3.162 1.00 0.00 C ATOM 289 O THR A 17 -7.150 0.702 -2.152 1.00 0.00 O ATOM 290 CB THR A 17 -5.579 -0.017 -4.549 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.277 -0.168 -5.079 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.547 -0.428 -5.648 1.00 0.00 C ATOM 0 H THR A 17 -4.497 1.384 -2.385 1.00 0.00 H new ATOM 0 HA THR A 17 -5.953 2.094 -4.853 1.00 0.00 H new ATOM 0 HB THR A 17 -5.728 -0.653 -3.677 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.161 -1.085 -5.405 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.318 -1.443 -5.974 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.567 -0.391 -5.267 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.450 0.255 -6.492 1.00 0.00 H new ATOM 300 N CYS A 18 -8.111 2.186 -3.543 1.00 0.00 N ATOM 301 CA CYS A 18 -9.409 2.233 -2.863 1.00 0.00 C ATOM 302 C CYS A 18 -10.331 1.115 -3.340 1.00 0.00 C ATOM 303 O CYS A 18 -10.540 0.943 -4.539 1.00 0.00 O ATOM 304 CB CYS A 18 -10.099 3.571 -3.118 1.00 0.00 C ATOM 305 SG CYS A 18 -11.500 3.914 -2.036 1.00 0.00 S ATOM 0 H CYS A 18 -8.054 2.813 -4.346 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.216 2.107 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.366 4.370 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.441 3.597 -4.153 1.00 0.00 H new ATOM 310 N GLU A 19 -10.926 0.397 -2.397 1.00 0.00 N ATOM 311 CA GLU A 19 -11.892 -0.670 -2.638 1.00 0.00 C ATOM 312 C GLU A 19 -13.028 -0.555 -1.614 1.00 0.00 C ATOM 313 O GLU A 19 -12.817 -0.734 -0.415 1.00 0.00 O ATOM 314 CB GLU A 19 -11.182 -2.030 -2.573 1.00 0.00 C ATOM 315 CG GLU A 19 -12.022 -3.146 -3.203 1.00 0.00 C ATOM 316 CD GLU A 19 -11.392 -4.536 -2.983 1.00 0.00 C ATOM 317 OE1 GLU A 19 -10.169 -4.705 -3.211 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.132 -5.473 -2.599 1.00 0.00 O ATOM 0 H GLU A 19 -10.743 0.546 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.328 -0.580 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.223 -1.963 -3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.970 -2.279 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.025 -3.130 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.128 -2.961 -4.272 1.00 0.00 H new ATOM 325 N ASN A 20 -14.232 -0.220 -2.088 1.00 0.00 N ATOM 326 CA ASN A 20 -15.406 0.092 -1.259 1.00 0.00 C ATOM 327 C ASN A 20 -15.146 1.269 -0.283 1.00 0.00 C ATOM 328 O ASN A 20 -15.318 1.159 0.932 1.00 0.00 O ATOM 329 CB ASN A 20 -15.957 -1.187 -0.585 1.00 0.00 C ATOM 330 CG ASN A 20 -16.591 -2.178 -1.547 1.00 0.00 C ATOM 331 OD1 ASN A 20 -17.797 -2.377 -1.556 1.00 0.00 O ATOM 332 ND2 ASN A 20 -15.821 -2.839 -2.383 1.00 0.00 N ATOM 0 H ASN A 20 -14.425 -0.156 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.200 0.456 -1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.144 -1.683 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.697 -0.900 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.231 -3.511 -3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.814 -2.680 -2.383 1.00 0.00 H new ATOM 339 N GLN A 21 -14.773 2.428 -0.848 1.00 0.00 N ATOM 340 CA GLN A 21 -14.644 3.746 -0.192 1.00 0.00 C ATOM 341 C GLN A 21 -13.559 3.820 0.903 1.00 0.00 C ATOM 342 O GLN A 21 -13.660 4.617 1.840 1.00 0.00 O ATOM 343 CB GLN A 21 -16.012 4.250 0.315 1.00 0.00 C ATOM 344 CG GLN A 21 -17.134 4.223 -0.733 1.00 0.00 C ATOM 345 CD GLN A 21 -18.051 3.014 -0.592 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.666 2.761 0.436 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.210 2.238 -1.635 1.00 0.00 N ATOM 0 H GLN A 21 -14.537 2.476 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.290 4.423 -0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.315 3.642 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.896 5.271 0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.727 5.134 -0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.693 4.223 -1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.705 2.435 -2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.839 1.437 -1.583 1.00 0.00 H new ATOM 356 N ALA A 22 -12.523 2.984 0.802 1.00 0.00 N ATOM 357 CA ALA A 22 -11.446 2.863 1.770 1.00 0.00 C ATOM 358 C ALA A 22 -10.220 2.200 1.106 1.00 0.00 C ATOM 359 O ALA A 22 -10.373 1.227 0.362 1.00 0.00 O ATOM 360 CB ALA A 22 -11.966 2.035 2.949 1.00 0.00 C ATOM 0 H ALA A 22 -12.413 2.351 0.010 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.130 3.842 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.177 1.927 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.822 2.539 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.269 1.049 2.596 1.00 0.00 H new ATOM 366 N PRO A 23 -9.002 2.722 1.316 1.00 0.00 N ATOM 367 CA PRO A 23 -7.774 2.156 0.768 1.00 0.00 C ATOM 368 C PRO A 23 -7.303 0.892 1.505 1.00 0.00 C ATOM 369 O PRO A 23 -6.826 0.943 2.636 1.00 0.00 O ATOM 370 CB PRO A 23 -6.776 3.307 0.793 1.00 0.00 C ATOM 371 CG PRO A 23 -7.217 4.126 1.999 1.00 0.00 C ATOM 372 CD PRO A 23 -8.732 3.997 1.958 1.00 0.00 C ATOM 0 HA PRO A 23 -7.913 1.782 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.752 2.949 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.813 3.892 -0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.803 3.734 2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.897 5.165 1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.155 4.027 2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.180 4.819 1.399 1.00 0.00 H new ATOM 380 N VAL A 24 -7.426 -0.259 0.837 1.00 0.00 N ATOM 381 CA VAL A 24 -7.041 -1.599 1.316 1.00 0.00 C ATOM 382 C VAL A 24 -5.806 -2.157 0.590 1.00 0.00 C ATOM 383 O VAL A 24 -5.588 -3.364 0.617 1.00 0.00 O ATOM 384 CB VAL A 24 -8.231 -2.595 1.275 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.510 -1.991 1.869 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.594 -3.076 -0.132 1.00 0.00 C ATOM 0 H VAL A 24 -7.818 -0.287 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.756 -1.478 2.361 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.875 -3.439 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.316 -2.724 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.334 -1.716 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.791 -1.104 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.434 -3.768 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.870 -2.221 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.737 -3.582 -0.576 1.00 0.00 H new ATOM 396 N HIS A 25 -4.999 -1.333 -0.095 1.00 0.00 N ATOM 397 CA HIS A 25 -3.748 -1.779 -0.741 1.00 0.00 C ATOM 398 C HIS A 25 -2.750 -0.625 -0.838 1.00 0.00 C ATOM 399 O HIS A 25 -3.142 0.486 -1.191 1.00 0.00 O ATOM 400 CB HIS A 25 -4.056 -2.310 -2.157 1.00 0.00 C ATOM 401 CG HIS A 25 -3.094 -3.337 -2.712 1.00 0.00 C ATOM 402 ND1 HIS A 25 -1.815 -3.081 -3.175 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.388 -4.644 -2.998 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.335 -4.213 -3.717 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.269 -5.177 -3.619 1.00 0.00 N ATOM 0 H HIS A 25 -5.192 -0.339 -0.219 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.310 -2.573 -0.136 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.055 -2.746 -2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.084 -1.462 -2.842 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.323 -2.189 -3.115 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.312 -5.159 -2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.357 -4.330 -4.160 1.00 0.00 H new ATOM 414 N PHE A 26 -1.467 -0.879 -0.586 1.00 0.00 N ATOM 415 CA PHE A 26 -0.395 0.093 -0.840 1.00 0.00 C ATOM 416 C PHE A 26 0.069 0.027 -2.305 1.00 0.00 C ATOM 417 O PHE A 26 0.047 -1.052 -2.899 1.00 0.00 O ATOM 418 CB PHE A 26 0.764 -0.191 0.131 1.00 0.00 C ATOM 419 CG PHE A 26 1.930 0.776 0.032 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.710 2.167 0.110 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.239 0.287 -0.147 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.784 3.061 -0.031 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.313 1.182 -0.288 1.00 0.00 C ATOM 424 CZ PHE A 26 4.083 2.566 -0.239 1.00 0.00 C ATOM 0 H PHE A 26 -1.137 -1.764 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.765 1.104 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.379 -0.170 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.132 -1.201 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.713 2.546 0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.417 -0.778 -0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.612 4.126 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.315 0.805 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.907 3.253 -0.362 1.00 0.00 H new ATOM 434 N VAL A 27 0.498 1.149 -2.891 1.00 0.00 N ATOM 435 CA VAL A 27 1.060 1.190 -4.260 1.00 0.00 C ATOM 436 C VAL A 27 2.489 1.743 -4.293 1.00 0.00 C ATOM 437 O VAL A 27 3.370 1.090 -4.854 1.00 0.00 O ATOM 438 CB VAL A 27 0.140 1.956 -5.233 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.742 2.068 -6.636 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.227 1.287 -5.385 1.00 0.00 C ATOM 0 H VAL A 27 0.469 2.061 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 27 1.114 0.156 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 27 0.030 2.946 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.057 2.615 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.693 2.599 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.906 1.070 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.839 1.863 -6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.096 0.275 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.722 1.245 -4.415 1.00 0.00 H new ATOM 450 N GLY A 28 2.740 2.940 -3.748 1.00 0.00 N ATOM 451 CA GLY A 28 4.036 3.610 -3.907 1.00 0.00 C ATOM 452 C GLY A 28 4.170 4.946 -3.178 1.00 0.00 C ATOM 453 O GLY A 28 3.300 5.350 -2.408 1.00 0.00 O ATOM 0 H GLY A 28 2.063 3.464 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.819 2.940 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.214 3.774 -4.970 1.00 0.00 H new ATOM 457 N VAL A 29 5.289 5.628 -3.418 1.00 0.00 N ATOM 458 CA VAL A 29 5.720 6.855 -2.722 1.00 0.00 C ATOM 459 C VAL A 29 6.085 7.937 -3.738 1.00 0.00 C ATOM 460 O VAL A 29 6.976 7.738 -4.564 1.00 0.00 O ATOM 461 CB VAL A 29 6.916 6.569 -1.789 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.263 7.807 -0.970 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.626 5.434 -0.803 1.00 0.00 C ATOM 0 H VAL A 29 5.954 5.333 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 29 4.891 7.210 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 29 7.744 6.281 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.108 7.587 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.526 8.625 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.404 8.096 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.498 5.271 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.771 5.701 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.403 4.521 -1.355 1.00 0.00 H new ATOM 473 N GLY A 30 5.372 9.069 -3.715 1.00 0.00 N ATOM 474 CA GLY A 30 5.534 10.155 -4.698 1.00 0.00 C ATOM 475 C GLY A 30 5.121 9.814 -6.144 1.00 0.00 C ATOM 476 O GLY A 30 5.310 10.635 -7.044 1.00 0.00 O ATOM 0 H GLY A 30 4.660 9.262 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.949 11.012 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.579 10.464 -4.701 1.00 0.00 H new ATOM 480 N SER A 31 4.567 8.621 -6.377 1.00 0.00 N ATOM 481 CA SER A 31 4.117 8.076 -7.668 1.00 0.00 C ATOM 482 C SER A 31 3.228 6.837 -7.467 1.00 0.00 C ATOM 483 O SER A 31 3.195 6.255 -6.377 1.00 0.00 O ATOM 484 CB SER A 31 5.324 7.708 -8.553 1.00 0.00 C ATOM 485 OG SER A 31 6.090 6.656 -7.987 1.00 0.00 O ATOM 0 H SER A 31 4.408 7.961 -5.616 1.00 0.00 H new ATOM 0 HA SER A 31 3.531 8.849 -8.165 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.973 7.411 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.956 8.586 -8.689 1.00 0.00 H new ATOM 0 HG SER A 31 6.846 6.448 -8.576 1.00 0.00 H new ATOM 491 N CYS A 32 2.522 6.415 -8.520 1.00 0.00 N ATOM 492 CA CYS A 32 1.745 5.175 -8.577 1.00 0.00 C ATOM 493 C CYS A 32 2.408 4.166 -9.532 1.00 0.00 C ATOM 494 O CYS A 32 2.421 4.373 -10.749 1.00 0.00 O ATOM 495 CB CYS A 32 0.313 5.486 -9.027 1.00 0.00 C ATOM 496 SG CYS A 32 -0.671 6.528 -7.919 1.00 0.00 S ATOM 0 H CYS A 32 2.475 6.948 -9.388 1.00 0.00 H new ATOM 0 HA CYS A 32 1.714 4.727 -7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.359 5.972 -10.002 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.214 4.542 -9.166 1.00 0.00 H new ATOM 501 N GLY A 33 2.962 3.076 -8.992 1.00 0.00 N ATOM 502 CA GLY A 33 3.494 1.961 -9.785 1.00 0.00 C ATOM 503 C GLY A 33 2.390 1.090 -10.406 1.00 0.00 C ATOM 504 O GLY A 33 1.241 1.097 -9.955 1.00 0.00 O ATOM 0 H GLY A 33 3.055 2.941 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.128 2.356 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.127 1.340 -9.151 1.00 0.00 H new ATOM 508 N SER A 34 2.744 0.316 -11.433 1.00 0.00 N ATOM 509 CA SER A 34 1.863 -0.634 -12.132 1.00 0.00 C ATOM 510 C SER A 34 2.657 -1.811 -12.730 1.00 0.00 C ATOM 511 O SER A 34 3.888 -1.856 -12.637 1.00 0.00 O ATOM 512 CB SER A 34 1.081 0.123 -13.216 1.00 0.00 C ATOM 513 OG SER A 34 -0.017 -0.649 -13.679 1.00 0.00 O ATOM 0 H SER A 34 3.688 0.331 -11.819 1.00 0.00 H new ATOM 0 HA SER A 34 1.164 -1.067 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.721 1.071 -12.816 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.742 0.359 -14.050 1.00 0.00 H new ATOM 0 HG SER A 34 -0.502 -0.148 -14.367 1.00 0.00 H new ATOM 519 N GLY A 35 1.967 -2.774 -13.346 1.00 0.00 N ATOM 520 CA GLY A 35 2.551 -3.952 -13.995 1.00 0.00 C ATOM 521 C GLY A 35 1.543 -4.769 -14.814 1.00 0.00 C ATOM 522 O GLY A 35 0.342 -4.484 -14.817 1.00 0.00 O ATOM 0 H GLY A 35 0.949 -2.755 -13.409 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.362 -3.631 -14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.992 -4.594 -13.233 1.00 0.00 H new ATOM 526 N GLY A 36 2.043 -5.796 -15.510 1.00 0.00 N ATOM 527 CA GLY A 36 1.286 -6.654 -16.438 1.00 0.00 C ATOM 528 C GLY A 36 1.486 -8.163 -16.238 1.00 0.00 C ATOM 529 O GLY A 36 1.191 -8.945 -17.147 1.00 0.00 O ATOM 0 H GLY A 36 3.024 -6.066 -15.442 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.225 -6.427 -16.335 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.569 -6.398 -17.459 1.00 0.00 H new ATOM 533 N SER A 37 1.986 -8.577 -15.069 1.00 0.00 N ATOM 534 CA SER A 37 2.341 -9.967 -14.725 1.00 0.00 C ATOM 535 C SER A 37 1.615 -10.458 -13.464 1.00 0.00 C ATOM 536 O SER A 37 1.218 -9.663 -12.607 1.00 0.00 O ATOM 537 CB SER A 37 3.862 -10.085 -14.532 1.00 0.00 C ATOM 538 OG SER A 37 4.550 -9.746 -15.728 1.00 0.00 O ATOM 0 H SER A 37 2.164 -7.929 -14.301 1.00 0.00 H new ATOM 0 HA SER A 37 2.021 -10.600 -15.553 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.183 -9.428 -13.724 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.118 -11.102 -14.236 1.00 0.00 H new ATOM 0 HG SER A 37 5.516 -9.826 -15.584 1.00 0.00 H new ATOM 544 N GLY A 38 1.469 -11.780 -13.319 1.00 0.00 N ATOM 545 CA GLY A 38 0.698 -12.444 -12.255 1.00 0.00 C ATOM 546 C GLY A 38 1.440 -12.591 -10.921 1.00 0.00 C ATOM 547 O GLY A 38 1.495 -13.682 -10.350 1.00 0.00 O ATOM 0 H GLY A 38 1.900 -12.444 -13.962 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.219 -11.881 -12.084 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.404 -13.434 -12.602 1.00 0.00 H new ATOM 551 N ILE A 39 2.035 -11.500 -10.436 1.00 0.00 N ATOM 552 CA ILE A 39 2.822 -11.442 -9.196 1.00 0.00 C ATOM 553 C ILE A 39 1.921 -11.546 -7.959 1.00 0.00 C ATOM 554 O ILE A 39 0.809 -11.013 -7.915 1.00 0.00 O ATOM 555 CB ILE A 39 3.673 -10.152 -9.174 1.00 0.00 C ATOM 556 CG1 ILE A 39 4.620 -10.087 -10.392 1.00 0.00 C ATOM 557 CG2 ILE A 39 4.479 -9.966 -7.874 1.00 0.00 C ATOM 558 CD1 ILE A 39 5.670 -11.204 -10.504 1.00 0.00 C ATOM 0 H ILE A 39 1.982 -10.599 -10.910 1.00 0.00 H new ATOM 0 HA ILE A 39 3.496 -12.298 -9.169 1.00 0.00 H new ATOM 0 HB ILE A 39 2.957 -9.331 -9.224 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.013 -10.097 -11.297 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.141 -9.130 -10.368 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.052 -9.040 -7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.796 -9.919 -7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.160 -10.807 -7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.273 -11.048 -11.399 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.314 -11.187 -9.625 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.169 -12.170 -10.568 1.00 0.00 H new ATOM 570 N PHE A 40 2.443 -12.230 -6.941 1.00 0.00 N ATOM 571 CA PHE A 40 1.763 -12.529 -5.670 1.00 0.00 C ATOM 572 C PHE A 40 2.671 -12.421 -4.422 1.00 0.00 C ATOM 573 O PHE A 40 2.243 -12.752 -3.316 1.00 0.00 O ATOM 574 CB PHE A 40 1.088 -13.909 -5.777 1.00 0.00 C ATOM 575 CG PHE A 40 2.026 -15.101 -5.677 1.00 0.00 C ATOM 576 CD1 PHE A 40 2.765 -15.525 -6.800 1.00 0.00 C ATOM 577 CD2 PHE A 40 2.159 -15.791 -4.456 1.00 0.00 C ATOM 578 CE1 PHE A 40 3.640 -16.621 -6.695 1.00 0.00 C ATOM 579 CE2 PHE A 40 3.031 -16.889 -4.353 1.00 0.00 C ATOM 580 CZ PHE A 40 3.774 -17.303 -5.472 1.00 0.00 C ATOM 0 H PHE A 40 3.390 -12.609 -6.976 1.00 0.00 H new ATOM 0 HA PHE A 40 1.008 -11.758 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.339 -13.990 -4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.558 -13.963 -6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.659 -15.008 -7.742 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.588 -15.475 -3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.210 -16.940 -7.555 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.130 -17.414 -3.414 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.447 -18.144 -5.393 1.00 0.00 H new ATOM 590 N LEU A 41 3.918 -11.956 -4.585 1.00 0.00 N ATOM 591 CA LEU A 41 4.906 -11.786 -3.505 1.00 0.00 C ATOM 592 C LEU A 41 4.522 -10.675 -2.502 1.00 0.00 C ATOM 593 O LEU A 41 4.979 -10.686 -1.357 1.00 0.00 O ATOM 594 CB LEU A 41 6.294 -11.490 -4.119 1.00 0.00 C ATOM 595 CG LEU A 41 7.099 -12.687 -4.667 1.00 0.00 C ATOM 596 CD1 LEU A 41 7.453 -13.696 -3.574 1.00 0.00 C ATOM 597 CD2 LEU A 41 6.414 -13.432 -5.816 1.00 0.00 C ATOM 0 H LEU A 41 4.279 -11.679 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 41 4.931 -12.718 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.157 -10.776 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.900 -10.996 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 41 8.007 -12.230 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.019 -14.520 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.055 -13.207 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.538 -14.082 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.046 -14.258 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.454 -13.822 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.253 -12.747 -6.649 1.00 0.00 H new ATOM 609 N GLU A 42 3.678 -9.727 -2.914 1.00 0.00 N ATOM 610 CA GLU A 42 3.042 -8.727 -2.044 1.00 0.00 C ATOM 611 C GLU A 42 2.068 -9.351 -1.019 1.00 0.00 C ATOM 612 O GLU A 42 1.581 -10.472 -1.181 1.00 0.00 O ATOM 613 CB GLU A 42 2.316 -7.683 -2.917 1.00 0.00 C ATOM 614 CG GLU A 42 1.164 -8.281 -3.746 1.00 0.00 C ATOM 615 CD GLU A 42 0.442 -7.235 -4.617 1.00 0.00 C ATOM 616 OE1 GLU A 42 1.105 -6.396 -5.271 1.00 0.00 O ATOM 617 OE2 GLU A 42 -0.812 -7.246 -4.642 1.00 0.00 O ATOM 0 H GLU A 42 3.408 -9.628 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 42 3.829 -8.248 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.922 -6.894 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.036 -7.218 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.557 -9.070 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.443 -8.746 -3.073 1.00 0.00 H new ATOM 624 N THR A 43 1.713 -8.589 0.019 1.00 0.00 N ATOM 625 CA THR A 43 0.700 -8.974 1.022 1.00 0.00 C ATOM 626 C THR A 43 -0.717 -9.069 0.431 1.00 0.00 C ATOM 627 O THR A 43 -1.520 -9.889 0.875 1.00 0.00 O ATOM 628 CB THR A 43 0.701 -7.941 2.161 1.00 0.00 C ATOM 629 OG1 THR A 43 2.006 -7.777 2.679 1.00 0.00 O ATOM 630 CG2 THR A 43 -0.207 -8.302 3.338 1.00 0.00 C ATOM 0 H THR A 43 2.124 -7.672 0.194 1.00 0.00 H new ATOM 0 HA THR A 43 0.967 -9.965 1.389 1.00 0.00 H new ATOM 0 HB THR A 43 0.321 -7.027 1.705 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.990 -7.115 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.147 -7.521 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.236 -8.392 2.990 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.114 -9.251 3.768 1.00 0.00 H new ATOM 638 N SER A 44 -1.023 -8.231 -0.570 1.00 0.00 N ATOM 639 CA SER A 44 -2.349 -7.987 -1.167 1.00 0.00 C ATOM 640 C SER A 44 -3.493 -7.927 -0.143 1.00 0.00 C ATOM 641 O SER A 44 -4.354 -8.804 -0.065 1.00 0.00 O ATOM 642 CB SER A 44 -2.648 -8.963 -2.311 1.00 0.00 C ATOM 643 OG SER A 44 -3.708 -8.433 -3.094 1.00 0.00 O ATOM 0 H SER A 44 -0.302 -7.665 -1.017 1.00 0.00 H new ATOM 0 HA SER A 44 -2.296 -6.985 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.760 -9.109 -2.926 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.924 -9.940 -1.913 1.00 0.00 H new ATOM 0 HG SER A 44 -3.909 -9.047 -3.831 1.00 0.00 H new ATOM 649 N LEU A 45 -3.529 -6.839 0.637 1.00 0.00 N ATOM 650 CA LEU A 45 -4.560 -6.577 1.651 1.00 0.00 C ATOM 651 C LEU A 45 -6.004 -6.504 1.093 1.00 0.00 C ATOM 652 O LEU A 45 -6.958 -6.633 1.858 1.00 0.00 O ATOM 653 CB LEU A 45 -4.188 -5.311 2.448 1.00 0.00 C ATOM 654 CG LEU A 45 -3.039 -5.502 3.453 1.00 0.00 C ATOM 655 CD1 LEU A 45 -1.684 -5.133 2.841 1.00 0.00 C ATOM 656 CD2 LEU A 45 -3.247 -4.573 4.645 1.00 0.00 C ATOM 0 H LEU A 45 -2.828 -6.100 0.580 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.574 -7.440 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.912 -4.524 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.070 -4.964 2.986 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.040 -6.552 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.898 -5.281 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.491 -5.767 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.698 -4.088 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.433 -4.708 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.261 -3.539 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.195 -4.808 5.128 1.00 0.00 H new ATOM 668 N SER A 46 -6.174 -6.398 -0.230 1.00 0.00 N ATOM 669 CA SER A 46 -7.445 -6.581 -0.959 1.00 0.00 C ATOM 670 C SER A 46 -8.096 -7.957 -0.719 1.00 0.00 C ATOM 671 O SER A 46 -9.325 -8.060 -0.675 1.00 0.00 O ATOM 672 CB SER A 46 -7.181 -6.367 -2.459 1.00 0.00 C ATOM 673 OG SER A 46 -8.306 -6.629 -3.276 1.00 0.00 O ATOM 0 H SER A 46 -5.399 -6.173 -0.853 1.00 0.00 H new ATOM 0 HA SER A 46 -8.156 -5.847 -0.579 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.858 -5.338 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.359 -7.011 -2.770 1.00 0.00 H new ATOM 0 HG SER A 46 -8.943 -5.888 -3.202 1.00 0.00 H new ATOM 679 N ALA A 47 -7.295 -9.007 -0.500 1.00 0.00 N ATOM 680 CA ALA A 47 -7.746 -10.380 -0.268 1.00 0.00 C ATOM 681 C ALA A 47 -7.228 -10.922 1.077 1.00 0.00 C ATOM 682 O ALA A 47 -6.047 -11.236 1.238 1.00 0.00 O ATOM 683 CB ALA A 47 -7.341 -11.253 -1.459 1.00 0.00 C ATOM 0 H ALA A 47 -6.279 -8.918 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.833 -10.399 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.675 -12.277 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.802 -10.866 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.257 -11.239 -1.568 1.00 0.00 H new ATOM 689 N GLY A 48 -8.131 -11.013 2.057 1.00 0.00 N ATOM 690 CA GLY A 48 -7.851 -11.494 3.417 1.00 0.00 C ATOM 691 C GLY A 48 -7.510 -10.403 4.445 1.00 0.00 C ATOM 692 O GLY A 48 -7.227 -10.732 5.599 1.00 0.00 O ATOM 0 H GLY A 48 -9.107 -10.747 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.719 -12.047 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.021 -12.199 3.371 1.00 0.00 H new ATOM 696 N SER A 49 -7.549 -9.120 4.059 1.00 0.00 N ATOM 697 CA SER A 49 -7.383 -7.957 4.944 1.00 0.00 C ATOM 698 C SER A 49 -8.409 -6.861 4.608 1.00 0.00 C ATOM 699 O SER A 49 -9.390 -7.095 3.894 1.00 0.00 O ATOM 700 CB SER A 49 -5.937 -7.434 4.877 1.00 0.00 C ATOM 701 OG SER A 49 -5.309 -7.477 6.146 1.00 0.00 O ATOM 0 H SER A 49 -7.703 -8.853 3.087 1.00 0.00 H new ATOM 0 HA SER A 49 -7.573 -8.268 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.366 -8.032 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.937 -6.410 4.504 1.00 0.00 H new ATOM 0 HG SER A 49 -5.638 -6.738 6.699 1.00 0.00 H new ATOM 707 N ASP A 50 -8.226 -5.673 5.177 1.00 0.00 N ATOM 708 CA ASP A 50 -9.073 -4.497 5.041 1.00 0.00 C ATOM 709 C ASP A 50 -8.268 -3.213 5.320 1.00 0.00 C ATOM 710 O ASP A 50 -7.088 -3.233 5.677 1.00 0.00 O ATOM 711 CB ASP A 50 -10.294 -4.632 5.977 1.00 0.00 C ATOM 712 CG ASP A 50 -9.947 -4.953 7.442 1.00 0.00 C ATOM 713 OD1 ASP A 50 -8.898 -4.486 7.942 1.00 0.00 O ATOM 714 OD2 ASP A 50 -10.737 -5.677 8.095 1.00 0.00 O ATOM 0 H ASP A 50 -7.427 -5.497 5.786 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.438 -4.425 4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.862 -3.702 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.946 -5.416 5.592 1.00 0.00 H new ATOM 719 N TRP A 51 -8.923 -2.069 5.153 1.00 0.00 N ATOM 720 CA TRP A 51 -8.404 -0.738 5.482 1.00 0.00 C ATOM 721 C TRP A 51 -8.041 -0.586 6.973 1.00 0.00 C ATOM 722 O TRP A 51 -7.066 0.087 7.320 1.00 0.00 O ATOM 723 CB TRP A 51 -9.425 0.316 5.027 1.00 0.00 C ATOM 724 CG TRP A 51 -9.555 1.520 5.906 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.554 1.751 6.789 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.623 2.630 6.047 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.324 2.953 7.430 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.152 3.543 7.003 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.365 2.938 5.492 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.492 4.731 7.349 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.681 4.115 5.846 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.248 5.019 6.760 1.00 0.00 C ATOM 0 H TRP A 51 -9.868 -2.038 4.770 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.466 -0.590 4.947 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.153 0.649 4.025 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.402 -0.161 4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.397 1.099 6.965 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.944 3.355 8.133 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.918 2.258 4.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.933 5.416 8.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.714 4.325 5.413 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.730 5.933 7.010 1.00 0.00 H new ATOM 743 N LEU A 52 -8.801 -1.222 7.867 1.00 0.00 N ATOM 744 CA LEU A 52 -8.574 -1.200 9.316 1.00 0.00 C ATOM 745 C LEU A 52 -7.187 -1.774 9.666 1.00 0.00 C ATOM 746 O LEU A 52 -6.405 -1.149 10.384 1.00 0.00 O ATOM 747 CB LEU A 52 -9.737 -1.944 10.011 1.00 0.00 C ATOM 748 CG LEU A 52 -10.331 -1.254 11.253 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.301 -1.052 12.365 1.00 0.00 C ATOM 750 CD2 LEU A 52 -10.990 0.088 10.921 1.00 0.00 C ATOM 0 H LEU A 52 -9.611 -1.780 7.598 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.565 -0.174 9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.536 -2.090 9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.387 -2.934 10.302 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.099 -1.938 11.614 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.775 -0.562 13.215 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.908 -2.020 12.677 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.485 -0.431 11.996 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.392 0.531 11.832 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.249 0.760 10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.798 -0.070 10.207 1.00 0.00 H new ATOM 762 N THR A 53 -6.857 -2.934 9.098 1.00 0.00 N ATOM 763 CA THR A 53 -5.549 -3.596 9.210 1.00 0.00 C ATOM 764 C THR A 53 -4.453 -2.929 8.371 1.00 0.00 C ATOM 765 O THR A 53 -3.307 -2.894 8.816 1.00 0.00 O ATOM 766 CB THR A 53 -5.635 -5.097 8.874 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.344 -5.364 7.679 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.345 -5.875 9.979 1.00 0.00 C ATOM 0 H THR A 53 -7.515 -3.462 8.525 1.00 0.00 H new ATOM 0 HA THR A 53 -5.263 -3.485 10.256 1.00 0.00 H new ATOM 0 HB THR A 53 -4.597 -5.412 8.763 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.297 -5.184 7.817 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.389 -6.930 9.710 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.797 -5.761 10.914 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.357 -5.490 10.102 1.00 0.00 H new ATOM 776 N PHE A 54 -4.774 -2.319 7.223 1.00 0.00 N ATOM 777 CA PHE A 54 -3.833 -1.567 6.371 1.00 0.00 C ATOM 778 C PHE A 54 -3.092 -0.457 7.128 1.00 0.00 C ATOM 779 O PHE A 54 -1.883 -0.291 6.961 1.00 0.00 O ATOM 780 CB PHE A 54 -4.594 -0.998 5.160 1.00 0.00 C ATOM 781 CG PHE A 54 -3.853 0.045 4.345 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.979 1.409 4.677 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.049 -0.336 3.257 1.00 0.00 C ATOM 784 CE1 PHE A 54 -3.279 2.386 3.949 1.00 0.00 C ATOM 785 CE2 PHE A 54 -2.349 0.644 2.531 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.450 1.999 2.886 1.00 0.00 C ATOM 0 H PHE A 54 -5.722 -2.333 6.847 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.062 -2.260 6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.860 -1.825 4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.527 -0.559 5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.618 1.705 5.496 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.969 -1.377 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.379 3.430 4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.730 0.353 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.889 2.743 2.340 1.00 0.00 H new ATOM 796 N GLN A 55 -3.802 0.268 7.995 1.00 0.00 N ATOM 797 CA GLN A 55 -3.210 1.260 8.895 1.00 0.00 C ATOM 798 C GLN A 55 -2.193 0.597 9.829 1.00 0.00 C ATOM 799 O GLN A 55 -1.003 0.897 9.776 1.00 0.00 O ATOM 800 CB GLN A 55 -4.311 1.951 9.706 1.00 0.00 C ATOM 801 CG GLN A 55 -5.210 2.826 8.829 1.00 0.00 C ATOM 802 CD GLN A 55 -6.555 3.021 9.509 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.763 3.909 10.326 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.502 2.161 9.222 1.00 0.00 N ATOM 0 H GLN A 55 -4.814 0.182 8.093 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.689 2.009 8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.918 1.197 10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.857 2.564 10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.736 3.792 8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.349 2.359 7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.330 1.421 8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.411 2.232 9.679 1.00 0.00 H new ATOM 813 N LYS A 56 -2.653 -0.348 10.659 1.00 0.00 N ATOM 814 CA LYS A 56 -1.811 -1.050 11.654 1.00 0.00 C ATOM 815 C LYS A 56 -0.617 -1.813 11.048 1.00 0.00 C ATOM 816 O LYS A 56 0.370 -2.055 11.748 1.00 0.00 O ATOM 817 CB LYS A 56 -2.678 -1.977 12.527 1.00 0.00 C ATOM 818 CG LYS A 56 -3.867 -1.288 13.225 1.00 0.00 C ATOM 819 CD LYS A 56 -3.468 -0.066 14.066 1.00 0.00 C ATOM 820 CE LYS A 56 -4.687 0.480 14.819 1.00 0.00 C ATOM 821 NZ LYS A 56 -4.354 1.708 15.588 1.00 0.00 N ATOM 0 H LYS A 56 -3.626 -0.654 10.664 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.366 -0.273 12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.060 -2.785 11.904 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.044 -2.433 13.287 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.589 -0.978 12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.368 -2.012 13.868 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.688 -0.343 14.775 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.053 0.709 13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.484 0.700 14.109 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.067 -0.283 15.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.203 2.048 16.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.611 1.492 16.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.015 2.445 14.936 1.00 0.00 H new ATOM 835 N LYS A 57 -0.675 -2.150 9.753 1.00 0.00 N ATOM 836 CA LYS A 57 0.405 -2.765 8.965 1.00 0.00 C ATOM 837 C LYS A 57 1.629 -1.845 8.800 1.00 0.00 C ATOM 838 O LYS A 57 2.732 -2.266 9.142 1.00 0.00 O ATOM 839 CB LYS A 57 -0.170 -3.235 7.614 1.00 0.00 C ATOM 840 CG LYS A 57 0.755 -4.172 6.815 1.00 0.00 C ATOM 841 CD LYS A 57 0.312 -5.644 6.866 1.00 0.00 C ATOM 842 CE LYS A 57 0.413 -6.256 8.268 1.00 0.00 C ATOM 843 NZ LYS A 57 -0.047 -7.671 8.274 1.00 0.00 N ATOM 0 H LYS A 57 -1.517 -1.994 9.198 1.00 0.00 H new ATOM 0 HA LYS A 57 0.785 -3.629 9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.115 -3.747 7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.393 -2.359 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.785 -3.844 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.770 -4.090 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.718 -5.719 6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.925 -6.225 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.445 -6.205 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.188 -5.673 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.033 -8.058 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.039 -7.715 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.543 -8.231 7.626 1.00 0.00 H new ATOM 857 N HIS A 58 1.477 -0.625 8.259 1.00 0.00 N ATOM 858 CA HIS A 58 2.619 0.256 7.910 1.00 0.00 C ATOM 859 C HIS A 58 2.359 1.772 8.055 1.00 0.00 C ATOM 860 O HIS A 58 3.024 2.593 7.427 1.00 0.00 O ATOM 861 CB HIS A 58 3.113 -0.109 6.497 1.00 0.00 C ATOM 862 CG HIS A 58 2.207 0.412 5.412 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.461 1.538 4.656 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.947 -0.033 5.118 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.356 1.784 3.924 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.423 0.845 4.191 1.00 0.00 N ATOM 0 H HIS A 58 0.566 -0.217 8.049 1.00 0.00 H new ATOM 0 HA HIS A 58 3.396 0.066 8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.116 0.293 6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.189 -1.193 6.412 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.457 -0.903 5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.236 2.604 3.232 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.509 0.793 3.779 1.00 0.00 H new ATOM 875 N ILE A 59 1.393 2.172 8.871 1.00 0.00 N ATOM 876 CA ILE A 59 1.035 3.579 9.148 1.00 0.00 C ATOM 877 C ILE A 59 1.044 3.815 10.662 1.00 0.00 C ATOM 878 O ILE A 59 0.733 2.917 11.447 1.00 0.00 O ATOM 879 CB ILE A 59 -0.324 3.962 8.501 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.321 3.580 7.000 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.646 5.458 8.702 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.382 4.264 6.129 1.00 0.00 C ATOM 0 H ILE A 59 0.809 1.511 9.383 1.00 0.00 H new ATOM 0 HA ILE A 59 1.779 4.233 8.692 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.113 3.400 9.000 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.662 3.811 6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.454 2.501 6.920 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.604 5.690 8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.698 5.679 9.768 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.136 6.063 8.244 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.284 3.920 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.375 4.014 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.242 5.344 6.166 1.00 0.00 H new ATOM 894 N THR A 60 1.401 5.030 11.079 1.00 0.00 N ATOM 895 CA THR A 60 1.366 5.433 12.495 1.00 0.00 C ATOM 896 C THR A 60 0.938 6.890 12.701 1.00 0.00 C ATOM 897 O THR A 60 1.164 7.754 11.854 1.00 0.00 O ATOM 898 CB THR A 60 2.718 5.144 13.166 1.00 0.00 C ATOM 899 OG1 THR A 60 2.624 5.470 14.534 1.00 0.00 O ATOM 900 CG2 THR A 60 3.897 5.914 12.566 1.00 0.00 C ATOM 0 H THR A 60 1.723 5.765 10.450 1.00 0.00 H new ATOM 0 HA THR A 60 0.596 4.830 12.977 1.00 0.00 H new ATOM 0 HB THR A 60 2.920 4.085 13.003 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.476 5.845 14.840 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.812 5.651 13.098 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.003 5.655 11.513 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.718 6.985 12.660 1.00 0.00 H new ATOM 908 N ASN A 61 0.349 7.169 13.870 1.00 0.00 N ATOM 909 CA ASN A 61 0.066 8.504 14.388 1.00 0.00 C ATOM 910 C ASN A 61 1.278 9.134 15.118 1.00 0.00 C ATOM 911 O ASN A 61 1.187 10.269 15.587 1.00 0.00 O ATOM 912 CB ASN A 61 -1.176 8.400 15.292 1.00 0.00 C ATOM 913 CG ASN A 61 -0.976 7.521 16.517 1.00 0.00 C ATOM 914 OD1 ASN A 61 -0.395 7.920 17.514 1.00 0.00 O ATOM 915 ND2 ASN A 61 -1.444 6.293 16.483 1.00 0.00 N ATOM 0 H ASN A 61 0.044 6.433 14.507 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.134 9.182 13.559 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.461 9.400 15.618 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.007 8.007 14.707 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.321 5.678 17.287 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.930 5.955 15.652 1.00 0.00 H new ATOM 922 N THR A 62 2.402 8.413 15.225 1.00 0.00 N ATOM 923 CA THR A 62 3.676 8.864 15.812 1.00 0.00 C ATOM 924 C THR A 62 4.836 7.954 15.375 1.00 0.00 C ATOM 925 O THR A 62 4.906 6.781 15.755 1.00 0.00 O ATOM 926 CB THR A 62 3.573 8.960 17.349 1.00 0.00 C ATOM 927 OG1 THR A 62 4.807 9.398 17.877 1.00 0.00 O ATOM 928 CG2 THR A 62 3.157 7.676 18.081 1.00 0.00 C ATOM 0 H THR A 62 2.453 7.451 14.889 1.00 0.00 H new ATOM 0 HA THR A 62 3.888 9.865 15.437 1.00 0.00 H new ATOM 0 HB THR A 62 2.765 9.670 17.524 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.742 9.461 18.853 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.119 7.865 19.154 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.173 7.361 17.733 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.883 6.889 17.877 1.00 0.00 H new ATOM 936 N ARG A 63 5.748 8.449 14.523 1.00 0.00 N ATOM 937 CA ARG A 63 6.977 7.719 14.165 1.00 0.00 C ATOM 938 C ARG A 63 7.910 7.604 15.381 1.00 0.00 C ATOM 939 O ARG A 63 8.576 8.569 15.755 1.00 0.00 O ATOM 940 CB ARG A 63 7.690 8.372 12.966 1.00 0.00 C ATOM 941 CG ARG A 63 8.867 7.491 12.517 1.00 0.00 C ATOM 942 CD ARG A 63 9.777 8.200 11.518 1.00 0.00 C ATOM 943 NE ARG A 63 10.480 9.356 12.115 1.00 0.00 N ATOM 944 CZ ARG A 63 11.489 9.354 12.968 1.00 0.00 C ATOM 945 NH1 ARG A 63 12.076 8.259 13.365 1.00 0.00 N ATOM 946 NH2 ARG A 63 11.952 10.477 13.434 1.00 0.00 N ATOM 0 H ARG A 63 5.657 9.357 14.067 1.00 0.00 H new ATOM 0 HA ARG A 63 6.695 6.711 13.860 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.988 8.505 12.142 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.050 9.363 13.241 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.450 7.196 13.390 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.481 6.576 12.067 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.511 7.492 11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.184 8.538 10.668 1.00 0.00 H new ATOM 0 HE ARG A 63 10.142 10.275 11.831 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.759 7.355 13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.852 8.307 14.025 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.536 11.361 13.141 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.731 10.473 14.092 1.00 0.00 H new ATOM 960 N ASP A 64 7.993 6.404 15.952 1.00 0.00 N ATOM 961 CA ASP A 64 8.877 6.061 17.081 1.00 0.00 C ATOM 962 C ASP A 64 9.943 5.000 16.715 1.00 0.00 C ATOM 963 O ASP A 64 10.723 4.560 17.563 1.00 0.00 O ATOM 964 CB ASP A 64 8.007 5.639 18.282 1.00 0.00 C ATOM 965 CG ASP A 64 8.560 6.165 19.627 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.397 5.477 20.262 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.129 7.266 20.053 1.00 0.00 O ATOM 0 H ASP A 64 7.431 5.613 15.637 1.00 0.00 H new ATOM 0 HA ASP A 64 9.455 6.944 17.353 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.992 6.010 18.140 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.946 4.551 18.318 1.00 0.00 H new ATOM 972 N VAL A 65 9.986 4.574 15.446 1.00 0.00 N ATOM 973 CA VAL A 65 10.859 3.497 14.951 1.00 0.00 C ATOM 974 C VAL A 65 12.331 3.924 14.818 1.00 0.00 C ATOM 975 O VAL A 65 12.638 5.065 14.467 1.00 0.00 O ATOM 976 CB VAL A 65 10.304 2.929 13.626 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.308 3.936 12.471 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.064 1.677 13.189 1.00 0.00 C ATOM 0 H VAL A 65 9.400 4.978 14.715 1.00 0.00 H new ATOM 0 HA VAL A 65 10.853 2.706 15.701 1.00 0.00 H new ATOM 0 HB VAL A 65 9.266 2.680 13.846 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.904 3.464 11.575 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.693 4.796 12.736 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.329 4.265 12.279 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.646 1.306 12.253 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.116 1.922 13.044 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.973 0.909 13.957 1.00 0.00 H new ATOM 988 N ASP A 66 13.239 2.968 15.047 1.00 0.00 N ATOM 989 CA ASP A 66 14.699 3.094 14.876 1.00 0.00 C ATOM 990 C ASP A 66 15.327 1.917 14.085 1.00 0.00 C ATOM 991 O ASP A 66 16.542 1.866 13.896 1.00 0.00 O ATOM 992 CB ASP A 66 15.326 3.238 16.272 1.00 0.00 C ATOM 993 CG ASP A 66 16.782 3.742 16.243 1.00 0.00 C ATOM 994 OD1 ASP A 66 17.045 4.809 15.636 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.654 3.112 16.888 1.00 0.00 O ATOM 0 H ASP A 66 12.967 2.040 15.372 1.00 0.00 H new ATOM 0 HA ASP A 66 14.907 3.977 14.271 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.723 3.927 16.863 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.294 2.273 16.777 1.00 0.00 H new ATOM 1000 N CYS A 67 14.501 0.967 13.618 1.00 0.00 N ATOM 1001 CA CYS A 67 14.871 -0.288 12.942 1.00 0.00 C ATOM 1002 C CYS A 67 16.022 -1.047 13.645 1.00 0.00 C ATOM 1003 O CYS A 67 17.041 -1.408 13.058 1.00 0.00 O ATOM 1004 CB CYS A 67 15.024 -0.028 11.436 1.00 0.00 C ATOM 1005 SG CYS A 67 13.429 0.410 10.679 1.00 0.00 S ATOM 0 H CYS A 67 13.489 1.061 13.708 1.00 0.00 H new ATOM 0 HA CYS A 67 14.062 -1.013 13.034 1.00 0.00 H new ATOM 0 HB2 CYS A 67 15.740 0.778 11.274 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.429 -0.916 10.950 1.00 0.00 H new ATOM 1010 N ASP A 68 15.799 -1.296 14.942 1.00 0.00 N ATOM 1011 CA ASP A 68 16.657 -2.019 15.894 1.00 0.00 C ATOM 1012 C ASP A 68 15.832 -2.668 17.031 1.00 0.00 C ATOM 1013 O ASP A 68 16.185 -3.739 17.518 1.00 0.00 O ATOM 1014 CB ASP A 68 17.694 -1.036 16.469 1.00 0.00 C ATOM 1015 CG ASP A 68 18.782 -1.740 17.294 1.00 0.00 C ATOM 1016 OD1 ASP A 68 18.580 -1.968 18.509 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.856 -2.060 16.727 1.00 0.00 O ATOM 0 H ASP A 68 14.943 -0.970 15.391 1.00 0.00 H new ATOM 0 HA ASP A 68 17.162 -2.829 15.368 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.161 -0.487 15.651 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.186 -0.303 17.095 1.00 0.00 H new ATOM 1022 N ASN A 69 14.688 -2.081 17.412 1.00 0.00 N ATOM 1023 CA ASN A 69 13.796 -2.550 18.485 1.00 0.00 C ATOM 1024 C ASN A 69 12.462 -3.137 17.984 1.00 0.00 C ATOM 1025 O ASN A 69 11.695 -3.678 18.782 1.00 0.00 O ATOM 1026 CB ASN A 69 13.578 -1.427 19.509 1.00 0.00 C ATOM 1027 CG ASN A 69 12.924 -0.200 18.910 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.719 -0.116 18.724 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.721 0.776 18.553 1.00 0.00 N ATOM 0 H ASN A 69 14.344 -1.232 16.963 1.00 0.00 H new ATOM 0 HA ASN A 69 14.299 -3.387 18.969 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.958 -1.801 20.324 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.538 -1.146 19.942 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.337 1.614 18.116 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.726 0.698 18.712 1.00 0.00 H new ATOM 1036 N ILE A 70 12.190 -3.099 16.670 1.00 0.00 N ATOM 1037 CA ILE A 70 10.937 -3.590 16.053 1.00 0.00 C ATOM 1038 C ILE A 70 10.678 -5.091 16.242 1.00 0.00 C ATOM 1039 O ILE A 70 9.578 -5.564 15.963 1.00 0.00 O ATOM 1040 CB ILE A 70 10.859 -3.195 14.565 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.922 -3.915 13.700 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.939 -1.662 14.474 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.054 -3.335 12.293 1.00 0.00 C ATOM 0 H ILE A 70 12.846 -2.719 15.988 1.00 0.00 H new ATOM 0 HA ILE A 70 10.135 -3.091 16.597 1.00 0.00 H new ATOM 0 HB ILE A 70 9.909 -3.527 14.147 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.888 -3.856 14.201 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.665 -4.972 13.627 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.886 -1.356 13.429 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.108 -1.221 15.024 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.880 -1.321 14.904 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.816 -3.887 11.742 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.099 -3.418 11.774 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.341 -2.286 12.358 1.00 0.00 H new ATOM 1055 N MET A 71 11.653 -5.822 16.786 1.00 0.00 N ATOM 1056 CA MET A 71 11.516 -7.213 17.248 1.00 0.00 C ATOM 1057 C MET A 71 10.336 -7.434 18.224 1.00 0.00 C ATOM 1058 O MET A 71 9.770 -8.528 18.263 1.00 0.00 O ATOM 1059 CB MET A 71 12.848 -7.655 17.881 1.00 0.00 C ATOM 1060 CG MET A 71 12.950 -9.160 18.170 1.00 0.00 C ATOM 1061 SD MET A 71 12.765 -10.245 16.724 1.00 0.00 S ATOM 1062 CE MET A 71 13.291 -11.822 17.447 1.00 0.00 C ATOM 0 H MET A 71 12.594 -5.453 16.924 1.00 0.00 H new ATOM 0 HA MET A 71 11.283 -7.828 16.379 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.663 -7.370 17.216 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.991 -7.109 18.813 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.917 -9.359 18.631 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.187 -9.425 18.902 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.238 -12.605 16.690 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.316 -11.733 17.807 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.635 -12.077 18.279 1.00 0.00 H new ATOM 1072 N SER A 72 9.930 -6.409 18.988 1.00 0.00 N ATOM 1073 CA SER A 72 8.766 -6.456 19.896 1.00 0.00 C ATOM 1074 C SER A 72 7.430 -6.021 19.261 1.00 0.00 C ATOM 1075 O SER A 72 6.384 -6.122 19.907 1.00 0.00 O ATOM 1076 CB SER A 72 9.054 -5.622 21.153 1.00 0.00 C ATOM 1077 OG SER A 72 9.212 -4.244 20.850 1.00 0.00 O ATOM 0 H SER A 72 10.407 -5.507 18.995 1.00 0.00 H new ATOM 0 HA SER A 72 8.632 -7.507 20.151 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.238 -5.746 21.865 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.958 -5.993 21.636 1.00 0.00 H new ATOM 0 HG SER A 72 9.392 -3.746 21.675 1.00 0.00 H new ATOM 1083 N THR A 73 7.437 -5.546 18.009 1.00 0.00 N ATOM 1084 CA THR A 73 6.248 -5.103 17.246 1.00 0.00 C ATOM 1085 C THR A 73 5.775 -6.179 16.256 1.00 0.00 C ATOM 1086 O THR A 73 6.383 -7.244 16.148 1.00 0.00 O ATOM 1087 CB THR A 73 6.508 -3.788 16.487 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.334 -4.011 15.368 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.137 -2.685 17.337 1.00 0.00 C ATOM 0 H THR A 73 8.300 -5.454 17.474 1.00 0.00 H new ATOM 0 HA THR A 73 5.462 -4.931 17.982 1.00 0.00 H new ATOM 0 HB THR A 73 5.520 -3.442 16.184 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.095 -4.571 15.629 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.286 -1.795 16.726 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.476 -2.446 18.170 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.098 -3.026 17.722 1.00 0.00 H new ATOM 1097 N ASN A 74 4.712 -5.909 15.487 1.00 0.00 N ATOM 1098 CA ASN A 74 4.283 -6.789 14.390 1.00 0.00 C ATOM 1099 C ASN A 74 5.258 -6.819 13.184 1.00 0.00 C ATOM 1100 O ASN A 74 5.212 -7.745 12.374 1.00 0.00 O ATOM 1101 CB ASN A 74 2.833 -6.455 13.997 1.00 0.00 C ATOM 1102 CG ASN A 74 2.649 -5.238 13.103 1.00 0.00 C ATOM 1103 OD1 ASN A 74 2.828 -5.298 11.896 1.00 0.00 O ATOM 1104 ND2 ASN A 74 2.245 -4.111 13.644 1.00 0.00 N ATOM 0 H ASN A 74 4.128 -5.081 15.606 1.00 0.00 H new ATOM 0 HA ASN A 74 4.311 -7.814 14.759 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.406 -7.321 13.491 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.256 -6.302 14.909 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.083 -3.293 13.057 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.094 -4.054 14.651 1.00 0.00 H new ATOM 1111 N LEU A 75 6.183 -5.855 13.094 1.00 0.00 N ATOM 1112 CA LEU A 75 7.192 -5.713 12.035 1.00 0.00 C ATOM 1113 C LEU A 75 8.452 -6.591 12.216 1.00 0.00 C ATOM 1114 O LEU A 75 9.386 -6.485 11.416 1.00 0.00 O ATOM 1115 CB LEU A 75 7.582 -4.222 11.921 1.00 0.00 C ATOM 1116 CG LEU A 75 6.502 -3.218 11.469 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.673 -3.735 10.298 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.579 -2.745 12.591 1.00 0.00 C ATOM 0 H LEU A 75 6.252 -5.115 13.793 1.00 0.00 H new ATOM 0 HA LEU A 75 6.733 -6.075 11.115 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.950 -3.899 12.895 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.417 -4.149 11.224 1.00 0.00 H new ATOM 0 HG LEU A 75 7.073 -2.350 11.138 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.929 -2.988 10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.326 -3.929 9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.171 -4.658 10.587 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.849 -2.042 12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.060 -3.602 13.020 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.169 -2.253 13.365 1.00 0.00 H new ATOM 1130 N PHE A 76 8.487 -7.475 13.218 1.00 0.00 N ATOM 1131 CA PHE A 76 9.613 -8.324 13.636 1.00 0.00 C ATOM 1132 C PHE A 76 10.083 -9.348 12.592 1.00 0.00 C ATOM 1133 O PHE A 76 11.111 -10.000 12.780 1.00 0.00 O ATOM 1134 CB PHE A 76 9.228 -9.072 14.923 1.00 0.00 C ATOM 1135 CG PHE A 76 8.296 -10.263 14.740 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.922 -10.075 14.500 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.811 -11.572 14.798 1.00 0.00 C ATOM 1138 CE1 PHE A 76 6.069 -11.179 14.327 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.961 -12.680 14.625 1.00 0.00 C ATOM 1140 CZ PHE A 76 6.588 -12.484 14.390 1.00 0.00 C ATOM 0 H PHE A 76 7.667 -7.629 13.805 1.00 0.00 H new ATOM 0 HA PHE A 76 10.451 -7.644 13.786 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.141 -9.419 15.407 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.755 -8.365 15.605 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.520 -9.074 14.448 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.865 -11.727 14.976 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.016 -11.025 14.146 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.363 -13.681 14.673 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.934 -13.334 14.258 1.00 0.00 H new ATOM 1150 N HIS A 77 9.339 -9.492 11.491 1.00 0.00 N ATOM 1151 CA HIS A 77 9.521 -10.504 10.440 1.00 0.00 C ATOM 1152 C HIS A 77 10.875 -10.424 9.691 1.00 0.00 C ATOM 1153 O HIS A 77 11.154 -11.275 8.845 1.00 0.00 O ATOM 1154 CB HIS A 77 8.314 -10.412 9.478 1.00 0.00 C ATOM 1155 CG HIS A 77 7.944 -11.713 8.802 1.00 0.00 C ATOM 1156 ND1 HIS A 77 8.805 -12.555 8.125 1.00 0.00 N ATOM 1157 CD2 HIS A 77 6.695 -12.271 8.771 1.00 0.00 C ATOM 1158 CE1 HIS A 77 8.095 -13.617 7.695 1.00 0.00 C ATOM 1159 NE2 HIS A 77 6.806 -13.463 8.072 1.00 0.00 N ATOM 0 H HIS A 77 8.551 -8.874 11.296 1.00 0.00 H new ATOM 0 HA HIS A 77 9.558 -11.483 10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.450 -10.049 10.035 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.534 -9.669 8.711 1.00 0.00 H new ATOM 0 HD1 HIS A 77 9.802 -12.400 7.977 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.796 -11.862 9.207 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.491 -14.454 7.140 1.00 0.00 H new ATOM 1168 N CYS A 78 11.703 -9.406 9.960 1.00 0.00 N ATOM 1169 CA CYS A 78 12.928 -9.062 9.207 1.00 0.00 C ATOM 1170 C CYS A 78 12.703 -9.048 7.673 1.00 0.00 C ATOM 1171 O CYS A 78 13.472 -9.593 6.875 1.00 0.00 O ATOM 1172 CB CYS A 78 14.113 -9.910 9.703 1.00 0.00 C ATOM 1173 SG CYS A 78 15.730 -9.547 8.941 1.00 0.00 S ATOM 0 H CYS A 78 11.535 -8.770 10.740 1.00 0.00 H new ATOM 0 HA CYS A 78 13.200 -8.028 9.418 1.00 0.00 H new ATOM 0 HB2 CYS A 78 14.203 -9.777 10.781 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.880 -10.961 9.530 1.00 0.00 H new ATOM 1178 N LYS A 79 11.600 -8.411 7.258 1.00 0.00 N ATOM 1179 CA LYS A 79 11.312 -8.050 5.860 1.00 0.00 C ATOM 1180 C LYS A 79 12.348 -7.059 5.305 1.00 0.00 C ATOM 1181 O LYS A 79 12.984 -6.328 6.062 1.00 0.00 O ATOM 1182 CB LYS A 79 9.852 -7.564 5.723 1.00 0.00 C ATOM 1183 CG LYS A 79 9.335 -6.593 6.801 1.00 0.00 C ATOM 1184 CD LYS A 79 9.984 -5.201 6.780 1.00 0.00 C ATOM 1185 CE LYS A 79 10.868 -4.871 7.995 1.00 0.00 C ATOM 1186 NZ LYS A 79 10.069 -4.642 9.228 1.00 0.00 N ATOM 0 H LYS A 79 10.862 -8.124 7.901 1.00 0.00 H new ATOM 0 HA LYS A 79 11.406 -8.940 5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.746 -7.080 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.203 -8.439 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.258 -6.478 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.499 -7.040 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.588 -5.113 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.196 -4.451 6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.568 -5.689 8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.462 -3.983 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.476 -3.848 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.087 -4.418 8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.084 -5.500 9.816 1.00 0.00 H new ATOM 1200 N ASP A 80 12.494 -7.006 3.982 1.00 0.00 N ATOM 1201 CA ASP A 80 13.557 -6.259 3.285 1.00 0.00 C ATOM 1202 C ASP A 80 13.491 -4.737 3.493 1.00 0.00 C ATOM 1203 O ASP A 80 14.527 -4.071 3.556 1.00 0.00 O ATOM 1204 CB ASP A 80 13.496 -6.562 1.781 1.00 0.00 C ATOM 1205 CG ASP A 80 13.761 -8.044 1.472 1.00 0.00 C ATOM 1206 OD1 ASP A 80 14.942 -8.425 1.294 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.785 -8.829 1.405 1.00 0.00 O ATOM 0 H ASP A 80 11.864 -7.491 3.343 1.00 0.00 H new ATOM 0 HA ASP A 80 14.499 -6.594 3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.515 -6.283 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.230 -5.948 1.259 1.00 0.00 H new ATOM 1212 N LYS A 81 12.276 -4.191 3.605 1.00 0.00 N ATOM 1213 CA LYS A 81 11.985 -2.789 3.928 1.00 0.00 C ATOM 1214 C LYS A 81 10.537 -2.600 4.379 1.00 0.00 C ATOM 1215 O LYS A 81 9.673 -3.415 4.053 1.00 0.00 O ATOM 1216 CB LYS A 81 12.303 -1.877 2.724 1.00 0.00 C ATOM 1217 CG LYS A 81 11.774 -2.345 1.368 1.00 0.00 C ATOM 1218 CD LYS A 81 11.973 -1.277 0.275 1.00 0.00 C ATOM 1219 CE LYS A 81 11.132 0.003 0.461 1.00 0.00 C ATOM 1220 NZ LYS A 81 9.682 -0.207 0.193 1.00 0.00 N ATOM 0 H LYS A 81 11.428 -4.740 3.466 1.00 0.00 H new ATOM 0 HA LYS A 81 12.627 -2.505 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.897 -0.886 2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.385 -1.769 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.284 -3.263 1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.714 -2.583 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.027 -1.001 0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.730 -1.717 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.258 0.368 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.510 0.779 -0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.123 0.458 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.488 -0.043 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.421 -1.182 0.441 1.00 0.00 H new ATOM 1234 N ASN A 82 10.266 -1.508 5.095 1.00 0.00 N ATOM 1235 CA ASN A 82 8.920 -1.093 5.506 1.00 0.00 C ATOM 1236 C ASN A 82 8.726 0.404 5.240 1.00 0.00 C ATOM 1237 O ASN A 82 9.501 1.219 5.744 1.00 0.00 O ATOM 1238 CB ASN A 82 8.696 -1.436 6.993 1.00 0.00 C ATOM 1239 CG ASN A 82 7.237 -1.746 7.294 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.614 -2.583 6.660 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.652 -1.129 8.289 1.00 0.00 N ATOM 0 H ASN A 82 10.994 -0.869 5.415 1.00 0.00 H new ATOM 0 HA ASN A 82 8.178 -1.635 4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.312 -2.294 7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.024 -0.600 7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.685 -1.349 8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.163 -0.428 8.826 1.00 0.00 H new ATOM 1248 N THR A 83 7.717 0.766 4.447 1.00 0.00 N ATOM 1249 CA THR A 83 7.363 2.167 4.187 1.00 0.00 C ATOM 1250 C THR A 83 6.378 2.666 5.250 1.00 0.00 C ATOM 1251 O THR A 83 5.162 2.494 5.108 1.00 0.00 O ATOM 1252 CB THR A 83 6.744 2.337 2.789 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.541 1.731 1.788 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.625 3.824 2.469 1.00 0.00 C ATOM 0 H THR A 83 7.119 0.096 3.964 1.00 0.00 H new ATOM 0 HA THR A 83 8.278 2.757 4.230 1.00 0.00 H new ATOM 0 HB THR A 83 5.766 1.856 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.118 1.856 0.913 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.187 3.949 1.479 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.989 4.306 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.615 4.281 2.488 1.00 0.00 H new ATOM 1262 N PHE A 84 6.883 3.271 6.326 1.00 0.00 N ATOM 1263 CA PHE A 84 6.046 3.889 7.358 1.00 0.00 C ATOM 1264 C PHE A 84 5.532 5.264 6.908 1.00 0.00 C ATOM 1265 O PHE A 84 6.318 6.149 6.558 1.00 0.00 O ATOM 1266 CB PHE A 84 6.783 4.023 8.692 1.00 0.00 C ATOM 1267 CG PHE A 84 7.148 2.728 9.381 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.144 1.907 9.932 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.502 2.385 9.537 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.502 0.771 10.682 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.853 1.207 10.222 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.857 0.417 10.827 1.00 0.00 C ATOM 0 H PHE A 84 7.884 3.347 6.508 1.00 0.00 H new ATOM 0 HA PHE A 84 5.195 3.224 7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.697 4.592 8.524 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.163 4.610 9.370 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.103 2.149 9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.272 3.025 9.132 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.735 0.169 11.147 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.889 0.908 10.284 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.131 -0.457 11.400 1.00 0.00 H new ATOM 1282 N ILE A 85 4.211 5.453 6.961 1.00 0.00 N ATOM 1283 CA ILE A 85 3.538 6.744 6.752 1.00 0.00 C ATOM 1284 C ILE A 85 3.212 7.338 8.125 1.00 0.00 C ATOM 1285 O ILE A 85 2.419 6.764 8.876 1.00 0.00 O ATOM 1286 CB ILE A 85 2.266 6.549 5.896 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.626 6.028 4.484 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.431 7.841 5.783 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.407 5.484 3.732 1.00 0.00 C ATOM 0 H ILE A 85 3.559 4.693 7.156 1.00 0.00 H new ATOM 0 HA ILE A 85 4.185 7.433 6.209 1.00 0.00 H new ATOM 0 HB ILE A 85 1.656 5.805 6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.075 6.835 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.376 5.242 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.548 7.652 5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.122 8.162 6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.032 8.623 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.714 5.131 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.972 4.658 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.666 6.276 3.619 1.00 0.00 H new ATOM 1301 N TYR A 86 3.811 8.478 8.471 1.00 0.00 N ATOM 1302 CA TYR A 86 3.387 9.281 9.619 1.00 0.00 C ATOM 1303 C TYR A 86 2.301 10.284 9.188 1.00 0.00 C ATOM 1304 O TYR A 86 2.597 11.420 8.805 1.00 0.00 O ATOM 1305 CB TYR A 86 4.617 9.910 10.287 1.00 0.00 C ATOM 1306 CG TYR A 86 4.384 10.834 11.475 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.187 10.807 12.221 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.398 11.748 11.829 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.986 11.726 13.270 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.208 12.653 12.892 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.996 12.650 13.612 1.00 0.00 C ATOM 1312 OH TYR A 86 3.807 13.537 14.626 1.00 0.00 O ATOM 0 H TYR A 86 4.604 8.871 7.963 1.00 0.00 H new ATOM 0 HA TYR A 86 2.919 8.659 10.382 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.271 9.102 10.614 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.161 10.472 9.527 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.423 10.080 11.988 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.328 11.754 11.280 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.054 11.723 13.815 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.991 13.349 13.155 1.00 0.00 H new ATOM 0 HH TYR A 86 4.606 14.097 14.724 1.00 0.00 H new ATOM 1322 N SER A 87 1.033 9.848 9.221 1.00 0.00 N ATOM 1323 CA SER A 87 -0.146 10.709 9.020 1.00 0.00 C ATOM 1324 C SER A 87 -1.399 10.197 9.759 1.00 0.00 C ATOM 1325 O SER A 87 -1.418 9.087 10.299 1.00 0.00 O ATOM 1326 CB SER A 87 -0.444 10.856 7.522 1.00 0.00 C ATOM 1327 OG SER A 87 -1.301 11.968 7.316 1.00 0.00 O ATOM 0 H SER A 87 0.792 8.871 9.391 1.00 0.00 H new ATOM 0 HA SER A 87 0.099 11.681 9.447 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.485 10.992 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.912 9.948 7.143 1.00 0.00 H new ATOM 0 HG SER A 87 -0.990 12.482 6.541 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.459 11.017 9.779 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.808 10.691 10.279 1.00 0.00 C ATOM 1335 C ARG A 88 -4.557 9.779 9.288 1.00 0.00 C ATOM 1336 O ARG A 88 -4.185 9.734 8.114 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.587 12.006 10.509 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.897 12.934 11.521 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.820 14.075 11.986 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.205 13.906 13.401 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.306 13.378 13.908 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -7.353 13.060 13.202 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -6.375 13.150 15.189 1.00 0.00 N ATOM 0 H ARG A 88 -2.399 11.974 9.430 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.723 10.149 11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.698 12.529 9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.591 11.772 10.863 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.577 12.352 12.386 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.999 13.356 11.071 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.314 15.032 11.856 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.714 14.100 11.363 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.526 14.244 14.083 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.355 13.215 12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.171 12.655 13.657 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.584 13.379 15.791 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.220 12.743 15.590 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.651 9.105 9.692 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.462 8.302 8.768 1.00 0.00 C ATOM 1359 C PRO A 89 -7.281 9.127 7.760 1.00 0.00 C ATOM 1360 O PRO A 89 -7.617 8.627 6.689 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.378 7.464 9.668 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.492 8.284 10.951 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.114 8.929 11.063 1.00 0.00 C ATOM 0 HA PRO A 89 -5.812 7.698 8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.353 7.307 9.208 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.954 6.479 9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.284 9.030 10.885 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.716 7.657 11.814 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.170 9.885 11.584 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.430 8.297 11.630 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.597 10.387 8.069 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.450 11.266 7.253 1.00 0.00 C ATOM 1373 C GLU A 90 -7.869 11.533 5.847 1.00 0.00 C ATOM 1374 O GLU A 90 -8.533 11.183 4.867 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.748 12.569 8.015 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.650 12.355 9.237 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.624 13.603 10.140 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -8.611 13.796 10.859 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -10.605 14.387 10.131 1.00 0.00 O ATOM 0 H GLU A 90 -7.259 10.840 8.918 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.391 10.744 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.809 13.018 8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.224 13.278 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.671 12.152 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.314 11.483 9.799 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.636 12.070 5.693 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.032 12.333 4.381 1.00 0.00 C ATOM 1388 C PRO A 91 -5.628 11.074 3.599 1.00 0.00 C ATOM 1389 O PRO A 91 -5.137 11.194 2.481 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.800 13.200 4.665 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.381 12.775 6.066 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.718 12.499 6.745 1.00 0.00 C ATOM 0 HA PRO A 91 -6.768 12.820 3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.008 13.022 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.039 14.263 4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.745 11.890 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.821 13.559 6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.614 11.727 7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.091 13.393 7.245 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.831 9.881 4.165 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.593 8.570 3.542 1.00 0.00 C ATOM 1402 C VAL A 92 -6.917 7.993 3.034 1.00 0.00 C ATOM 1403 O VAL A 92 -7.050 7.688 1.850 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.901 7.616 4.543 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.459 6.319 3.859 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.656 8.218 5.214 1.00 0.00 C ATOM 0 H VAL A 92 -6.184 9.796 5.118 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.925 8.688 2.689 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.657 7.428 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.976 5.669 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.330 5.813 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.756 6.551 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.226 7.490 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.921 8.476 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.938 9.116 5.765 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.930 7.881 3.901 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.247 7.322 3.550 1.00 0.00 C ATOM 1418 C LYS A 93 -10.025 8.204 2.566 1.00 0.00 C ATOM 1419 O LYS A 93 -10.587 7.699 1.596 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.084 7.042 4.815 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.905 5.749 4.645 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.237 5.689 5.409 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.104 5.648 6.934 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.037 6.991 7.566 1.00 0.00 N ATOM 0 H LYS A 93 -7.861 8.177 4.875 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.056 6.377 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.427 6.951 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.752 7.881 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.112 5.611 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.289 4.907 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.836 6.557 5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.787 4.806 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -12.952 5.103 7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.206 5.088 7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.016 6.887 8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.176 7.481 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.872 7.546 7.291 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.047 9.517 2.806 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.868 10.483 2.070 1.00 0.00 C ATOM 1440 C ALA A 94 -10.342 10.829 0.663 1.00 0.00 C ATOM 1441 O ALA A 94 -11.010 11.555 -0.078 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.007 11.751 2.913 1.00 0.00 C ATOM 0 H ALA A 94 -9.480 9.949 3.536 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.836 10.011 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.616 12.479 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.485 11.507 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.020 12.172 3.102 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.172 10.304 0.273 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.652 10.397 -1.103 1.00 0.00 C ATOM 1450 C ILE A 95 -9.693 9.873 -2.115 1.00 0.00 C ATOM 1451 O ILE A 95 -9.852 10.444 -3.196 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.305 9.645 -1.256 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.254 10.104 -0.222 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.722 9.860 -2.663 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -4.996 9.225 -0.177 1.00 0.00 C ATOM 0 H ILE A 95 -8.553 9.798 0.907 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.464 11.449 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.523 8.590 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.960 11.129 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.713 10.115 0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.777 9.324 -2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.423 9.484 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.553 10.924 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.307 9.613 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.275 8.203 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.511 9.233 -1.153 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.454 8.838 -1.734 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.587 8.310 -2.493 1.00 0.00 C ATOM 1469 C CYS A 96 -12.946 8.577 -1.819 1.00 0.00 C ATOM 1470 O CYS A 96 -13.038 8.772 -0.604 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.372 6.814 -2.736 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.110 5.761 -1.286 1.00 0.00 S ATOM 0 H CYS A 96 -10.290 8.333 -0.863 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.626 8.839 -3.445 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.239 6.433 -3.276 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.511 6.700 -3.394 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.016 8.551 -2.629 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.419 8.721 -2.215 1.00 0.00 C ATOM 1479 C LYS A 97 -16.360 8.051 -3.227 1.00 0.00 C ATOM 1480 O LYS A 97 -16.467 8.494 -4.370 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.725 10.227 -2.054 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.079 10.531 -1.389 1.00 0.00 C ATOM 1483 CD LYS A 97 -17.127 10.116 0.092 1.00 0.00 C ATOM 1484 CE LYS A 97 -18.420 10.622 0.744 1.00 0.00 C ATOM 1485 NZ LYS A 97 -18.491 10.247 2.181 1.00 0.00 N ATOM 0 H LYS A 97 -13.924 8.405 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.582 8.234 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.932 10.686 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.703 10.697 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.285 11.598 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.869 10.012 -1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.070 9.031 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.263 10.521 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.477 11.706 0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.280 10.209 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -19.378 10.605 2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.461 9.211 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.684 10.662 2.688 1.00 0.00 H new ATOM 1499 N GLY A 98 -16.985 6.940 -2.830 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.904 6.151 -3.671 1.00 0.00 C ATOM 1501 C GLY A 98 -17.222 5.119 -4.583 1.00 0.00 C ATOM 1502 O GLY A 98 -17.901 4.442 -5.353 1.00 0.00 O ATOM 0 H GLY A 98 -16.867 6.551 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.610 5.631 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.484 6.835 -4.291 1.00 0.00 H new ATOM 1506 N ILE A 99 -15.892 4.983 -4.511 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.094 4.083 -5.358 1.00 0.00 C ATOM 1508 C ILE A 99 -15.231 2.622 -4.901 1.00 0.00 C ATOM 1509 O ILE A 99 -14.857 2.263 -3.782 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.618 4.550 -5.427 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.555 5.961 -6.064 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.770 3.543 -6.228 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.147 6.538 -6.260 1.00 0.00 C ATOM 0 H ILE A 99 -15.325 5.509 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.487 4.129 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.207 4.600 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.051 5.925 -7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.126 6.648 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.736 3.887 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.810 2.567 -5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.163 3.461 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.219 7.527 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.648 6.616 -5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.572 5.881 -6.913 1.00 0.00 H new ATOM 1525 N ILE A 100 -15.747 1.777 -5.796 1.00 0.00 N ATOM 1526 CA ILE A 100 -15.855 0.307 -5.670 1.00 0.00 C ATOM 1527 C ILE A 100 -14.941 -0.405 -6.703 1.00 0.00 C ATOM 1528 O ILE A 100 -14.698 -1.607 -6.626 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.343 -0.140 -5.784 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.305 0.844 -5.065 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.540 -1.543 -5.186 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -19.781 0.432 -5.006 1.00 0.00 C ATOM 0 H ILE A 100 -16.125 2.112 -6.682 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.503 0.010 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.581 -0.150 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.949 0.986 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.240 1.811 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.587 -1.834 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.917 -2.258 -5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.256 -1.533 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.352 1.198 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.169 0.321 -6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -19.873 -0.516 -4.477 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.376 0.354 -7.647 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.638 -0.097 -8.835 1.00 0.00 C ATOM 1546 C ALA A 101 -12.202 -0.617 -8.585 1.00 0.00 C ATOM 1547 O ALA A 101 -11.469 -0.868 -9.544 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.622 1.077 -9.825 1.00 0.00 C ATOM 0 H ALA A 101 -14.425 1.372 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.158 -0.973 -9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.082 0.786 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.645 1.346 -10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.127 1.933 -9.366 1.00 0.00 H new ATOM 1554 N SER A 102 -11.775 -0.776 -7.324 1.00 0.00 N ATOM 1555 CA SER A 102 -10.401 -1.128 -6.918 1.00 0.00 C ATOM 1556 C SER A 102 -9.308 -0.244 -7.569 1.00 0.00 C ATOM 1557 O SER A 102 -8.443 -0.735 -8.300 1.00 0.00 O ATOM 1558 CB SER A 102 -10.151 -2.644 -7.047 1.00 0.00 C ATOM 1559 OG SER A 102 -10.319 -3.158 -8.361 1.00 0.00 O ATOM 0 H SER A 102 -12.399 -0.659 -6.526 1.00 0.00 H new ATOM 0 HA SER A 102 -10.314 -0.891 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.137 -2.862 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.829 -3.170 -6.375 1.00 0.00 H new ATOM 0 HG SER A 102 -10.572 -2.431 -8.967 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.331 1.076 -7.301 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.336 2.070 -7.773 1.00 0.00 C ATOM 1567 C LYS A 103 -8.307 3.296 -6.853 1.00 0.00 C ATOM 1568 O LYS A 103 -9.288 3.566 -6.172 1.00 0.00 O ATOM 1569 CB LYS A 103 -8.656 2.469 -9.232 1.00 0.00 C ATOM 1570 CG LYS A 103 -7.443 3.113 -9.931 1.00 0.00 C ATOM 1571 CD LYS A 103 -7.616 3.311 -11.444 1.00 0.00 C ATOM 1572 CE LYS A 103 -8.548 4.486 -11.774 1.00 0.00 C ATOM 1573 NZ LYS A 103 -8.591 4.748 -13.238 1.00 0.00 N ATOM 0 H LYS A 103 -10.065 1.498 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.343 1.622 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.970 1.586 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.493 3.167 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.245 4.081 -9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.565 2.491 -9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.641 3.484 -11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.016 2.398 -11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.553 4.269 -11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.208 5.380 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.229 5.547 -13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.635 4.979 -13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.939 3.902 -13.732 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.210 4.047 -6.801 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.151 5.381 -6.189 1.00 0.00 C ATOM 1589 C ASN A 104 -6.311 6.349 -7.047 1.00 0.00 C ATOM 1590 O ASN A 104 -5.896 6.012 -8.158 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.601 5.252 -4.753 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.292 6.152 -3.741 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -7.875 7.169 -4.076 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.238 5.805 -2.475 1.00 0.00 N ATOM 0 H ASN A 104 -6.317 3.744 -7.189 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.154 5.805 -6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.700 4.216 -4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.536 5.483 -4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.685 6.387 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.749 4.953 -2.200 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.038 7.544 -6.522 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.139 8.545 -7.112 1.00 0.00 C ATOM 1603 C VAL A 105 -4.075 8.917 -6.075 1.00 0.00 C ATOM 1604 O VAL A 105 -4.375 9.006 -4.884 1.00 0.00 O ATOM 1605 CB VAL A 105 -5.934 9.788 -7.574 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.048 10.791 -8.328 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.089 9.418 -8.517 1.00 0.00 C ATOM 0 H VAL A 105 -6.450 7.856 -5.643 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.651 8.131 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.320 10.234 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.648 11.648 -8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.242 11.126 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.625 10.311 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.619 10.322 -8.815 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.691 8.922 -9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.777 8.747 -8.003 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.834 9.135 -6.515 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.753 9.690 -5.694 1.00 0.00 C ATOM 1619 C LEU A 106 -2.202 10.948 -4.921 1.00 0.00 C ATOM 1620 O LEU A 106 -2.870 11.828 -5.473 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.552 10.008 -6.615 1.00 0.00 C ATOM 1622 CG LEU A 106 0.714 10.522 -5.904 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.387 9.426 -5.088 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.708 11.070 -6.924 1.00 0.00 C ATOM 0 H LEU A 106 -2.545 8.927 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.465 8.954 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.294 9.106 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.865 10.754 -7.346 1.00 0.00 H new ATOM 0 HG LEU A 106 0.404 11.316 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.276 9.828 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.694 9.059 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.673 8.606 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.598 11.430 -6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.987 10.280 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.250 11.892 -7.473 1.00 0.00 H new ATOM 1636 N THR A 107 -1.807 11.042 -3.649 1.00 0.00 N ATOM 1637 CA THR A 107 -2.058 12.226 -2.799 1.00 0.00 C ATOM 1638 C THR A 107 -1.360 13.492 -3.338 1.00 0.00 C ATOM 1639 O THR A 107 -0.532 13.430 -4.246 1.00 0.00 O ATOM 1640 CB THR A 107 -1.643 11.999 -1.331 1.00 0.00 C ATOM 1641 OG1 THR A 107 -1.607 10.641 -0.939 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.674 12.593 -0.373 1.00 0.00 C ATOM 0 H THR A 107 -1.300 10.298 -3.170 1.00 0.00 H new ATOM 0 HA THR A 107 -3.137 12.380 -2.833 1.00 0.00 H new ATOM 0 HB THR A 107 -0.655 12.456 -1.280 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.564 10.584 0.038 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.358 12.419 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.760 13.665 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.641 12.119 -0.540 1.00 0.00 H new ATOM 1650 N THR A 108 -1.648 14.655 -2.747 1.00 0.00 N ATOM 1651 CA THR A 108 -1.090 15.964 -3.159 1.00 0.00 C ATOM 1652 C THR A 108 -0.251 16.653 -2.069 1.00 0.00 C ATOM 1653 O THR A 108 0.673 17.409 -2.380 1.00 0.00 O ATOM 1654 CB THR A 108 -2.214 16.871 -3.698 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.671 17.998 -4.350 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.191 17.365 -2.628 1.00 0.00 C ATOM 0 H THR A 108 -2.286 14.724 -1.954 1.00 0.00 H new ATOM 0 HA THR A 108 -0.381 15.771 -3.964 1.00 0.00 H new ATOM 0 HB THR A 108 -2.775 16.242 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.398 18.562 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.949 17.996 -3.091 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.672 16.510 -2.152 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.649 17.941 -1.878 1.00 0.00 H new ATOM 1664 N SER A 109 -0.509 16.350 -0.792 1.00 0.00 N ATOM 1665 CA SER A 109 0.228 16.893 0.364 1.00 0.00 C ATOM 1666 C SER A 109 1.533 16.126 0.626 1.00 0.00 C ATOM 1667 O SER A 109 1.773 15.067 0.048 1.00 0.00 O ATOM 1668 CB SER A 109 -0.663 16.853 1.615 1.00 0.00 C ATOM 1669 OG SER A 109 -1.879 17.556 1.400 1.00 0.00 O ATOM 0 H SER A 109 -1.253 15.706 -0.523 1.00 0.00 H new ATOM 0 HA SER A 109 0.494 17.924 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.880 15.818 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.130 17.291 2.459 1.00 0.00 H new ATOM 0 HG SER A 109 -2.429 17.514 2.210 1.00 0.00 H new ATOM 1675 N GLU A 110 2.390 16.645 1.509 1.00 0.00 N ATOM 1676 CA GLU A 110 3.715 16.084 1.804 1.00 0.00 C ATOM 1677 C GLU A 110 3.814 15.617 3.267 1.00 0.00 C ATOM 1678 O GLU A 110 3.920 16.423 4.193 1.00 0.00 O ATOM 1679 CB GLU A 110 4.826 17.078 1.428 1.00 0.00 C ATOM 1680 CG GLU A 110 4.671 17.622 0.000 1.00 0.00 C ATOM 1681 CD GLU A 110 5.932 18.367 -0.481 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.320 19.386 0.141 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.523 17.956 -1.509 1.00 0.00 O ATOM 0 H GLU A 110 2.180 17.483 2.051 1.00 0.00 H new ATOM 0 HA GLU A 110 3.856 15.197 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.819 17.910 2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.795 16.588 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.457 16.797 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.816 18.297 -0.039 1.00 0.00 H new ATOM 1690 N PHE A 111 3.739 14.300 3.470 1.00 0.00 N ATOM 1691 CA PHE A 111 3.711 13.634 4.778 1.00 0.00 C ATOM 1692 C PHE A 111 5.104 13.118 5.161 1.00 0.00 C ATOM 1693 O PHE A 111 5.965 12.949 4.293 1.00 0.00 O ATOM 1694 CB PHE A 111 2.710 12.465 4.730 1.00 0.00 C ATOM 1695 CG PHE A 111 1.392 12.797 4.057 1.00 0.00 C ATOM 1696 CD1 PHE A 111 0.311 13.316 4.792 1.00 0.00 C ATOM 1697 CD2 PHE A 111 1.252 12.590 2.674 1.00 0.00 C ATOM 1698 CE1 PHE A 111 -0.903 13.618 4.148 1.00 0.00 C ATOM 1699 CE2 PHE A 111 0.048 12.901 2.027 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.035 13.408 2.764 1.00 0.00 C ATOM 0 H PHE A 111 3.694 13.638 2.695 1.00 0.00 H new ATOM 0 HA PHE A 111 3.400 14.355 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.172 11.629 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.510 12.131 5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.413 13.483 5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.078 12.188 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.733 14.011 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.047 12.751 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.967 13.636 2.269 1.00 0.00 H new ATOM 1710 N TYR A 112 5.328 12.823 6.446 1.00 0.00 N ATOM 1711 CA TYR A 112 6.594 12.252 6.918 1.00 0.00 C ATOM 1712 C TYR A 112 6.707 10.784 6.481 1.00 0.00 C ATOM 1713 O TYR A 112 6.023 9.906 7.015 1.00 0.00 O ATOM 1714 CB TYR A 112 6.730 12.424 8.439 1.00 0.00 C ATOM 1715 CG TYR A 112 7.660 13.547 8.858 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.378 14.878 8.492 1.00 0.00 C ATOM 1717 CD2 TYR A 112 8.815 13.256 9.611 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.251 15.915 8.875 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.688 14.291 10.001 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.408 15.626 9.632 1.00 0.00 C ATOM 1721 OH TYR A 112 10.244 16.634 10.004 1.00 0.00 O ATOM 0 H TYR A 112 4.641 12.972 7.185 1.00 0.00 H new ATOM 0 HA TYR A 112 7.425 12.791 6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.743 12.608 8.862 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.091 11.489 8.868 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.492 15.103 7.917 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.032 12.236 9.890 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.035 16.934 8.589 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.570 14.064 10.581 1.00 0.00 H new ATOM 0 HH TYR A 112 10.991 16.266 10.520 1.00 0.00 H new ATOM 1731 N LEU A 113 7.555 10.531 5.482 1.00 0.00 N ATOM 1732 CA LEU A 113 7.836 9.197 4.947 1.00 0.00 C ATOM 1733 C LEU A 113 9.124 8.607 5.543 1.00 0.00 C ATOM 1734 O LEU A 113 10.202 9.204 5.486 1.00 0.00 O ATOM 1735 CB LEU A 113 7.862 9.243 3.406 1.00 0.00 C ATOM 1736 CG LEU A 113 6.594 8.681 2.738 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.449 7.174 2.931 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.304 9.369 3.183 1.00 0.00 C ATOM 0 H LEU A 113 8.079 11.268 5.010 1.00 0.00 H new ATOM 0 HA LEU A 113 7.033 8.523 5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.000 10.276 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.726 8.681 3.051 1.00 0.00 H new ATOM 0 HG LEU A 113 6.738 8.895 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.538 6.830 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.310 6.667 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.395 6.947 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.455 8.918 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.181 9.250 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.354 10.430 2.938 1.00 0.00 H new ATOM 1750 N SER A 114 8.992 7.416 6.126 1.00 0.00 N ATOM 1751 CA SER A 114 10.024 6.727 6.901 1.00 0.00 C ATOM 1752 C SER A 114 10.253 5.323 6.338 1.00 0.00 C ATOM 1753 O SER A 114 9.517 4.378 6.625 1.00 0.00 O ATOM 1754 CB SER A 114 9.625 6.743 8.380 1.00 0.00 C ATOM 1755 OG SER A 114 10.504 5.968 9.179 1.00 0.00 O ATOM 0 H SER A 114 8.125 6.882 6.069 1.00 0.00 H new ATOM 0 HA SER A 114 10.983 7.240 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.618 7.771 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.609 6.362 8.485 1.00 0.00 H new ATOM 0 HG SER A 114 10.015 5.606 9.947 1.00 0.00 H new ATOM 1761 N ASP A 115 11.251 5.199 5.465 1.00 0.00 N ATOM 1762 CA ASP A 115 11.715 3.933 4.896 1.00 0.00 C ATOM 1763 C ASP A 115 12.889 3.368 5.721 1.00 0.00 C ATOM 1764 O ASP A 115 13.825 4.080 6.086 1.00 0.00 O ATOM 1765 CB ASP A 115 12.154 4.157 3.439 1.00 0.00 C ATOM 1766 CG ASP A 115 10.967 4.359 2.476 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.406 5.481 2.428 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.642 3.396 1.742 1.00 0.00 O ATOM 0 H ASP A 115 11.777 6.003 5.122 1.00 0.00 H new ATOM 0 HA ASP A 115 10.898 3.212 4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.805 5.030 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.742 3.302 3.107 1.00 0.00 H new ATOM 1773 N CYS A 116 12.895 2.057 5.953 1.00 0.00 N ATOM 1774 CA CYS A 116 14.100 1.324 6.361 1.00 0.00 C ATOM 1775 C CYS A 116 14.491 0.371 5.235 1.00 0.00 C ATOM 1776 O CYS A 116 13.611 -0.088 4.517 1.00 0.00 O ATOM 1777 CB CYS A 116 13.826 0.576 7.669 1.00 0.00 C ATOM 1778 SG CYS A 116 13.849 1.653 9.125 1.00 0.00 S ATOM 0 H CYS A 116 12.066 1.469 5.864 1.00 0.00 H new ATOM 0 HA CYS A 116 14.929 2.008 6.541 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.855 0.086 7.603 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.572 -0.209 7.794 1.00 0.00 H new ATOM 1783 N ASN A 117 15.776 0.040 5.084 1.00 0.00 N ATOM 1784 CA ASN A 117 16.264 -0.899 4.065 1.00 0.00 C ATOM 1785 C ASN A 117 17.276 -1.856 4.699 1.00 0.00 C ATOM 1786 O ASN A 117 18.247 -1.393 5.298 1.00 0.00 O ATOM 1787 CB ASN A 117 16.888 -0.112 2.896 1.00 0.00 C ATOM 1788 CG ASN A 117 15.863 0.604 2.033 1.00 0.00 C ATOM 1789 OD1 ASN A 117 15.242 0.021 1.160 1.00 0.00 O ATOM 1790 ND2 ASN A 117 15.683 1.894 2.214 1.00 0.00 N ATOM 0 H ASN A 117 16.518 0.420 5.672 1.00 0.00 H new ATOM 0 HA ASN A 117 15.437 -1.490 3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.590 0.620 3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 117 17.462 -0.797 2.272 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.025 2.405 1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.201 2.384 2.943 1.00 0.00 H new ATOM 1797 N VAL A 118 17.049 -3.170 4.611 1.00 0.00 N ATOM 1798 CA VAL A 118 17.953 -4.198 5.174 1.00 0.00 C ATOM 1799 C VAL A 118 19.376 -4.065 4.611 1.00 0.00 C ATOM 1800 O VAL A 118 19.565 -3.725 3.440 1.00 0.00 O ATOM 1801 CB VAL A 118 17.385 -5.613 4.921 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.389 -6.765 5.088 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.240 -5.905 5.891 1.00 0.00 C ATOM 0 H VAL A 118 16.230 -3.561 4.146 1.00 0.00 H new ATOM 0 HA VAL A 118 18.014 -4.039 6.251 1.00 0.00 H new ATOM 0 HB VAL A 118 17.072 -5.584 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.891 -7.714 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.213 -6.634 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.776 -6.766 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.849 -6.905 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.607 -5.847 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.446 -5.172 5.748 1.00 0.00 H new ATOM 1813 N THR A 119 20.382 -4.376 5.434 1.00 0.00 N ATOM 1814 CA THR A 119 21.799 -4.433 5.028 1.00 0.00 C ATOM 1815 C THR A 119 22.499 -5.678 5.588 1.00 0.00 C ATOM 1816 O THR A 119 22.787 -5.781 6.783 1.00 0.00 O ATOM 1817 CB THR A 119 22.536 -3.114 5.318 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.881 -3.219 4.903 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.506 -2.627 6.769 1.00 0.00 C ATOM 0 H THR A 119 20.237 -4.600 6.419 1.00 0.00 H new ATOM 0 HA THR A 119 21.832 -4.543 3.944 1.00 0.00 H new ATOM 0 HB THR A 119 21.982 -2.366 4.751 1.00 0.00 H new ATOM 0 HG1 THR A 119 24.347 -2.377 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 119 23.058 -1.690 6.850 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.473 -2.468 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.966 -3.376 7.414 1.00 0.00 H new ATOM 1827 N SER A 120 22.709 -6.673 4.717 1.00 0.00 N ATOM 1828 CA SER A 120 23.363 -7.965 4.996 1.00 0.00 C ATOM 1829 C SER A 120 24.111 -8.493 3.763 1.00 0.00 C ATOM 1830 O SER A 120 23.475 -8.654 2.695 1.00 0.00 O ATOM 1831 CB SER A 120 22.317 -8.971 5.487 1.00 0.00 C ATOM 1832 OG SER A 120 22.976 -10.123 5.988 1.00 0.00 O ATOM 1833 OXT SER A 120 25.345 -8.690 3.850 1.00 0.00 O ATOM 0 H SER A 120 22.412 -6.598 3.744 1.00 0.00 H new ATOM 0 HA SER A 120 24.108 -7.820 5.779 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.701 -8.522 6.266 1.00 0.00 H new ATOM 0 HB3 SER A 120 21.648 -9.246 4.671 1.00 0.00 H new ATOM 0 HG SER A 120 22.310 -10.769 6.305 1.00 0.00 H new TER 1839 SER A 120