USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 102 THR OG1 : rot -87:sc= 0.781 USER MOD Set 1.2: A 103 ASN : amide:sc= 0.806 K(o=1.6,f=0.53) USER MOD Set 2.1: A 49 THR OG1 : rot 130:sc= 1.1 USER MOD Set 2.2: A 52 ASN : amide:sc= -1.55 K(o=5.8,f=5.2) USER MOD Set 2.3: A 67 TYR OH : rot -116:sc= 1.19 USER MOD Set 2.4: A 78 THR OG1 : rot 42:sc= 2.13 USER MOD Set 2.5: A 105 HEC O2D : rot 117:sc= 2.96 USER MOD Set 3.1: A 40 THR OG1 : rot 124:sc= 1.71 USER MOD Set 3.2: A 48 TYR OH : rot 0:sc= 0.714 USER MOD Set 4.1: A 39 LYS NZ :NH3+ -139:sc= 1.24 (180deg=0) USER MOD Set 4.2: A 42 GLN : amide:sc= 1.05 K(o=2.3,f=-7.3!) USER MOD Set 5.1: A 26 HIS : no HE2:sc= 0.0606 K(o=0.87,f=-0.43) USER MOD Set 5.2: A 31 ASN : amide:sc= 0.813 K(o=0.87,f=-0.32) USER MOD Single : A 1 GLY N :NH3+ -138:sc= -1.13! (180deg=-2.48!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.15) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.4!) USER MOD Single : A 13 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.2) USER MOD Single : A 16 GLN : amide:sc= 1.16 K(o=1.2,f=-1) USER MOD Single : A 19 THR OG1 : rot 21:sc= 0.826 USER MOD Single : A 22 LYS NZ :NH3+ -120:sc= 0.295 (180deg=-0.838!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.00073) USER MOD Single : A 47 THR OG1 : rot -49:sc= 1.26 USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= 1.32 (180deg=1.17) USER MOD Single : A 54 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.018) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.17) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -133:sc= 1.03 (180deg=-1.17) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 65 MET CE :methyl -176:sc= -0.0172 (180deg=-0.0423) USER MOD Single : A 70 ASN : amide:sc= 1.19 K(o=1.2,f=-0.85) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 158:sc= 1.11 (180deg=0.944) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.19 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0414 (180deg=-0.0414) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 1.15 (180deg=0.966) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0875 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -135:sc= 0.311 (180deg=-1.52!) USER MOD Single : A 100 LYS NZ :NH3+ -145:sc= 0.00403! (180deg=-4.54!) USER MOD Single : A 105 HEC O2A : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.508 9.986 3.578 1.00 0.00 N ATOM 2 CA GLY A 1 -11.171 10.333 4.951 1.00 0.00 C ATOM 3 C GLY A 1 -10.235 11.517 4.828 1.00 0.00 C ATOM 4 O GLY A 1 -10.365 12.230 3.831 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.523 9.768 3.514 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.286 10.787 2.953 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.956 9.155 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.061 10.590 5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.691 9.500 5.464 1.00 0.00 H new ATOM 10 N ASP A 2 -9.329 11.716 5.775 1.00 0.00 N ATOM 11 CA ASP A 2 -8.490 12.908 5.822 1.00 0.00 C ATOM 12 C ASP A 2 -7.056 12.605 5.395 1.00 0.00 C ATOM 13 O ASP A 2 -6.584 11.478 5.523 1.00 0.00 O ATOM 14 CB ASP A 2 -8.535 13.545 7.213 1.00 0.00 C ATOM 15 CG ASP A 2 -8.409 15.052 7.100 1.00 0.00 C ATOM 16 OD1 ASP A 2 -7.416 15.473 6.465 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.305 15.735 7.638 1.00 0.00 O ATOM 0 H ASP A 2 -9.154 11.056 6.533 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.891 13.626 5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.470 13.287 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.727 13.150 7.829 1.00 0.00 H new ATOM 22 N VAL A 3 -6.345 13.626 4.920 1.00 0.00 N ATOM 23 CA VAL A 3 -4.949 13.504 4.529 1.00 0.00 C ATOM 24 C VAL A 3 -4.078 13.404 5.781 1.00 0.00 C ATOM 25 O VAL A 3 -3.143 12.601 5.842 1.00 0.00 O ATOM 26 CB VAL A 3 -4.548 14.659 3.588 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.540 16.041 4.254 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.173 14.402 2.963 1.00 0.00 C ATOM 0 H VAL A 3 -6.726 14.564 4.796 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.794 12.588 3.958 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.323 14.678 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.248 16.795 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.537 16.269 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.830 16.042 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.912 15.230 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.425 14.317 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.202 13.476 2.389 1.00 0.00 H new ATOM 38 N GLU A 4 -4.413 14.205 6.794 1.00 0.00 N ATOM 39 CA GLU A 4 -3.697 14.251 8.056 1.00 0.00 C ATOM 40 C GLU A 4 -3.858 12.905 8.745 1.00 0.00 C ATOM 41 O GLU A 4 -2.884 12.220 9.065 1.00 0.00 O ATOM 42 CB GLU A 4 -4.275 15.379 8.926 1.00 0.00 C ATOM 43 CG GLU A 4 -3.941 16.764 8.362 1.00 0.00 C ATOM 44 CD GLU A 4 -2.444 17.026 8.403 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.911 17.225 9.513 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.814 16.934 7.325 1.00 0.00 O ATOM 0 H GLU A 4 -5.204 14.848 6.753 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.638 14.450 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.357 15.266 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.881 15.295 9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.298 16.837 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.463 17.529 8.936 1.00 0.00 H new ATOM 53 N LYS A 5 -5.120 12.524 8.946 1.00 0.00 N ATOM 54 CA LYS A 5 -5.454 11.249 9.542 1.00 0.00 C ATOM 55 C LYS A 5 -4.834 10.139 8.713 1.00 0.00 C ATOM 56 O LYS A 5 -4.193 9.274 9.287 1.00 0.00 O ATOM 57 CB LYS A 5 -6.972 11.067 9.649 1.00 0.00 C ATOM 58 CG LYS A 5 -7.575 12.031 10.683 1.00 0.00 C ATOM 59 CD LYS A 5 -8.184 11.231 11.841 1.00 0.00 C ATOM 60 CE LYS A 5 -8.645 12.171 12.963 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.316 11.440 14.057 1.00 0.00 N ATOM 0 H LYS A 5 -5.929 13.094 8.699 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.054 11.213 10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.431 11.240 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.199 10.039 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.805 12.705 11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.340 12.651 10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.029 10.645 11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.449 10.526 12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.785 12.709 13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.327 12.917 12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.611 12.112 14.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.152 10.947 13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.658 10.746 14.465 1.00 0.00 H new ATOM 75 N GLY A 6 -4.966 10.171 7.384 1.00 0.00 N ATOM 76 CA GLY A 6 -4.383 9.138 6.542 1.00 0.00 C ATOM 77 C GLY A 6 -2.903 8.973 6.837 1.00 0.00 C ATOM 78 O GLY A 6 -2.473 7.883 7.205 1.00 0.00 O ATOM 0 H GLY A 6 -5.469 10.899 6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.899 8.193 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.522 9.397 5.492 1.00 0.00 H new ATOM 82 N LYS A 7 -2.118 10.043 6.707 1.00 0.00 N ATOM 83 CA LYS A 7 -0.675 9.932 6.839 1.00 0.00 C ATOM 84 C LYS A 7 -0.255 9.524 8.251 1.00 0.00 C ATOM 85 O LYS A 7 0.683 8.747 8.432 1.00 0.00 O ATOM 86 CB LYS A 7 0.022 11.163 6.244 1.00 0.00 C ATOM 87 CG LYS A 7 0.208 12.261 7.276 1.00 0.00 C ATOM 88 CD LYS A 7 0.375 13.638 6.621 1.00 0.00 C ATOM 89 CE LYS A 7 0.848 14.661 7.668 1.00 0.00 C ATOM 90 NZ LYS A 7 0.632 16.057 7.240 1.00 0.00 N ATOM 0 H LYS A 7 -2.458 10.985 6.512 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.316 9.100 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.993 10.872 5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.565 11.545 5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.652 12.279 7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.083 12.041 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.097 13.578 5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.571 13.961 6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.319 14.487 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.908 14.507 7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.014 16.704 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.116 16.221 6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.387 16.231 7.125 1.00 0.00 H new ATOM 104 N LYS A 8 -0.984 10.016 9.251 1.00 0.00 N ATOM 105 CA LYS A 8 -0.672 9.766 10.645 1.00 0.00 C ATOM 106 C LYS A 8 -0.934 8.301 10.967 1.00 0.00 C ATOM 107 O LYS A 8 -0.100 7.618 11.561 1.00 0.00 O ATOM 108 CB LYS A 8 -1.538 10.700 11.506 1.00 0.00 C ATOM 109 CG LYS A 8 -1.372 10.541 13.025 1.00 0.00 C ATOM 110 CD LYS A 8 -0.266 11.425 13.616 1.00 0.00 C ATOM 111 CE LYS A 8 1.142 11.034 13.135 1.00 0.00 C ATOM 112 NZ LYS A 8 2.211 11.588 13.992 1.00 0.00 N ATOM 0 H LYS A 8 -1.808 10.600 9.110 1.00 0.00 H new ATOM 0 HA LYS A 8 0.379 9.967 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.306 11.731 11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.585 10.532 11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.317 10.780 13.513 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.152 9.498 13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.459 12.464 13.350 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.302 11.363 14.704 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.226 9.947 13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.283 11.385 12.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.138 11.295 13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.152 12.626 13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.096 11.233 14.963 1.00 0.00 H new ATOM 126 N ILE A 9 -2.124 7.839 10.599 1.00 0.00 N ATOM 127 CA ILE A 9 -2.624 6.528 10.943 1.00 0.00 C ATOM 128 C ILE A 9 -1.832 5.508 10.139 1.00 0.00 C ATOM 129 O ILE A 9 -1.398 4.493 10.674 1.00 0.00 O ATOM 130 CB ILE A 9 -4.121 6.512 10.622 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.940 7.387 11.594 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.686 5.101 10.588 1.00 0.00 C ATOM 133 CD1 ILE A 9 -5.156 6.768 12.980 1.00 0.00 C ATOM 0 H ILE A 9 -2.778 8.386 10.039 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.504 6.283 11.998 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.213 6.940 9.624 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.435 8.346 11.713 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.912 7.592 11.146 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.750 5.141 10.357 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.170 4.521 9.823 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.543 4.628 11.560 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.741 7.451 13.596 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.691 5.824 12.877 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.190 6.589 13.453 1.00 0.00 H new ATOM 145 N PHE A 10 -1.607 5.810 8.859 1.00 0.00 N ATOM 146 CA PHE A 10 -0.667 5.082 8.035 1.00 0.00 C ATOM 147 C PHE A 10 0.635 4.893 8.803 1.00 0.00 C ATOM 148 O PHE A 10 0.958 3.777 9.191 1.00 0.00 O ATOM 149 CB PHE A 10 -0.441 5.852 6.727 1.00 0.00 C ATOM 150 CG PHE A 10 0.710 5.348 5.894 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.521 4.274 5.025 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.007 5.822 6.128 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.628 3.649 4.437 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.117 5.201 5.556 1.00 0.00 C ATOM 155 CZ PHE A 10 2.925 4.108 4.699 1.00 0.00 C ATOM 0 H PHE A 10 -2.079 6.572 8.372 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.061 4.096 7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.352 5.805 6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.269 6.902 6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.477 3.925 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.150 6.684 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.480 2.807 3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.113 5.558 5.771 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.774 3.622 4.242 1.00 0.00 H new ATOM 165 N VAL A 11 1.374 5.972 9.066 1.00 0.00 N ATOM 166 CA VAL A 11 2.673 5.863 9.691 1.00 0.00 C ATOM 167 C VAL A 11 2.578 5.079 11.010 1.00 0.00 C ATOM 168 O VAL A 11 3.468 4.290 11.315 1.00 0.00 O ATOM 169 CB VAL A 11 3.319 7.259 9.821 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.364 7.295 10.935 1.00 0.00 C ATOM 171 CG2 VAL A 11 3.977 7.761 8.527 1.00 0.00 C ATOM 0 H VAL A 11 1.086 6.927 8.852 1.00 0.00 H new ATOM 0 HA VAL A 11 3.344 5.281 9.059 1.00 0.00 H new ATOM 0 HB VAL A 11 2.487 7.923 10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.797 8.294 10.996 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.892 7.045 11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.150 6.572 10.720 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.409 8.747 8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.763 7.068 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.227 7.824 7.738 1.00 0.00 H new ATOM 181 N GLN A 12 1.494 5.252 11.774 1.00 0.00 N ATOM 182 CA GLN A 12 1.280 4.498 13.001 1.00 0.00 C ATOM 183 C GLN A 12 1.403 2.981 12.786 1.00 0.00 C ATOM 184 O GLN A 12 1.958 2.309 13.654 1.00 0.00 O ATOM 185 CB GLN A 12 -0.081 4.858 13.622 1.00 0.00 C ATOM 186 CG GLN A 12 -0.183 4.407 15.088 1.00 0.00 C ATOM 187 CD GLN A 12 -1.623 4.281 15.591 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.564 4.067 14.823 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.804 4.381 16.905 1.00 0.00 N ATOM 0 H GLN A 12 0.749 5.914 11.557 1.00 0.00 H new ATOM 0 HA GLN A 12 2.070 4.780 13.697 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.233 5.936 13.563 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.878 4.392 13.043 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.317 3.445 15.199 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.352 5.119 15.717 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.008 4.558 17.517 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.739 4.280 17.300 1.00 0.00 H new ATOM 198 N LYS A 13 0.852 2.429 11.691 1.00 0.00 N ATOM 199 CA LYS A 13 0.711 0.973 11.543 1.00 0.00 C ATOM 200 C LYS A 13 1.254 0.361 10.245 1.00 0.00 C ATOM 201 O LYS A 13 1.303 -0.863 10.127 1.00 0.00 O ATOM 202 CB LYS A 13 -0.733 0.549 11.800 1.00 0.00 C ATOM 203 CG LYS A 13 -1.729 1.176 10.829 1.00 0.00 C ATOM 204 CD LYS A 13 -2.720 2.046 11.601 1.00 0.00 C ATOM 205 CE LYS A 13 -3.705 1.244 12.464 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.746 2.115 13.041 1.00 0.00 N ATOM 0 H LYS A 13 0.499 2.968 10.900 1.00 0.00 H new ATOM 0 HA LYS A 13 1.368 0.558 12.307 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.803 -0.537 11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.009 0.822 12.819 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.201 1.778 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.262 0.396 10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.165 2.732 12.241 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.283 2.655 10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.172 0.467 11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.164 0.741 13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.405 1.541 13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.301 2.830 13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.266 2.588 12.275 1.00 0.00 H new ATOM 220 N CYS A 14 1.654 1.178 9.274 1.00 0.00 N ATOM 221 CA CYS A 14 2.079 0.741 7.949 1.00 0.00 C ATOM 222 C CYS A 14 3.586 0.950 7.839 1.00 0.00 C ATOM 223 O CYS A 14 4.306 0.094 7.334 1.00 0.00 O ATOM 224 CB CYS A 14 1.401 1.544 6.866 1.00 0.00 C ATOM 225 SG CYS A 14 -0.418 1.602 6.883 1.00 0.00 S ATOM 0 H CYS A 14 1.692 2.190 9.392 1.00 0.00 H new ATOM 0 HA CYS A 14 1.811 -0.308 7.820 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.771 2.568 6.923 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.717 1.144 5.902 1.00 0.00 H new ATOM 230 N ALA A 15 4.069 2.106 8.312 1.00 0.00 N ATOM 231 CA ALA A 15 5.443 2.548 8.114 1.00 0.00 C ATOM 232 C ALA A 15 6.493 1.570 8.620 1.00 0.00 C ATOM 233 O ALA A 15 7.578 1.505 8.044 1.00 0.00 O ATOM 234 CB ALA A 15 5.667 3.907 8.749 1.00 0.00 C ATOM 0 H ALA A 15 3.504 2.764 8.849 1.00 0.00 H new ATOM 0 HA ALA A 15 5.571 2.609 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.699 4.218 8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.995 4.636 8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.468 3.846 9.819 1.00 0.00 H new ATOM 240 N GLN A 16 6.165 0.812 9.670 1.00 0.00 N ATOM 241 CA GLN A 16 6.972 -0.296 10.151 1.00 0.00 C ATOM 242 C GLN A 16 7.531 -1.140 8.996 1.00 0.00 C ATOM 243 O GLN A 16 8.674 -1.591 9.061 1.00 0.00 O ATOM 244 CB GLN A 16 6.152 -1.134 11.144 1.00 0.00 C ATOM 245 CG GLN A 16 4.804 -1.651 10.609 1.00 0.00 C ATOM 246 CD GLN A 16 4.146 -2.638 11.573 1.00 0.00 C ATOM 247 OE1 GLN A 16 4.818 -3.315 12.343 1.00 0.00 O ATOM 248 NE2 GLN A 16 2.820 -2.738 11.546 1.00 0.00 N ATOM 0 H GLN A 16 5.315 0.960 10.214 1.00 0.00 H new ATOM 0 HA GLN A 16 7.841 0.102 10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.752 -1.988 11.456 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.965 -0.533 12.034 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.134 -0.808 10.440 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.958 -2.134 9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.279 -2.166 10.898 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.345 -3.387 12.173 1.00 0.00 H new ATOM 257 N CYS A 17 6.719 -1.331 7.951 1.00 0.00 N ATOM 258 CA CYS A 17 7.068 -2.020 6.724 1.00 0.00 C ATOM 259 C CYS A 17 7.285 -1.020 5.567 1.00 0.00 C ATOM 260 O CYS A 17 8.056 -1.307 4.654 1.00 0.00 O ATOM 261 CB CYS A 17 5.994 -3.035 6.411 1.00 0.00 C ATOM 262 SG CYS A 17 5.777 -4.268 7.746 1.00 0.00 S ATOM 0 H CYS A 17 5.758 -0.990 7.947 1.00 0.00 H new ATOM 0 HA CYS A 17 8.014 -2.546 6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.049 -2.518 6.242 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.246 -3.550 5.484 1.00 0.00 H new ATOM 267 N HIS A 18 6.622 0.150 5.579 1.00 0.00 N ATOM 268 CA HIS A 18 6.606 1.104 4.465 1.00 0.00 C ATOM 269 C HIS A 18 6.939 2.541 4.884 1.00 0.00 C ATOM 270 O HIS A 18 6.065 3.405 4.848 1.00 0.00 O ATOM 271 CB HIS A 18 5.201 1.118 3.855 1.00 0.00 C ATOM 272 CG HIS A 18 4.776 -0.178 3.245 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.044 -0.560 1.955 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.775 -0.973 3.728 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.219 -1.574 1.670 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.442 -1.881 2.714 1.00 0.00 N ATOM 0 H HIS A 18 6.073 0.461 6.380 1.00 0.00 H new ATOM 0 HA HIS A 18 7.371 0.776 3.761 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.485 1.392 4.630 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.158 1.895 3.092 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.739 -0.149 1.332 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.325 -0.913 4.708 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.185 -2.081 0.717 1.00 0.00 H new ATOM 284 N THR A 19 8.181 2.865 5.241 1.00 0.00 N ATOM 285 CA THR A 19 8.525 4.239 5.602 1.00 0.00 C ATOM 286 C THR A 19 8.672 5.117 4.339 1.00 0.00 C ATOM 287 O THR A 19 9.760 5.570 3.990 1.00 0.00 O ATOM 288 CB THR A 19 9.756 4.201 6.523 1.00 0.00 C ATOM 289 OG1 THR A 19 9.467 3.427 7.673 1.00 0.00 O ATOM 290 CG2 THR A 19 10.162 5.583 7.040 1.00 0.00 C ATOM 0 H THR A 19 8.957 2.204 5.288 1.00 0.00 H new ATOM 0 HA THR A 19 7.725 4.719 6.166 1.00 0.00 H new ATOM 0 HB THR A 19 10.564 3.785 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.712 2.832 7.485 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.036 5.488 7.684 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.401 6.231 6.197 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.338 6.015 7.608 1.00 0.00 H new ATOM 298 N VAL A 20 7.569 5.369 3.628 1.00 0.00 N ATOM 299 CA VAL A 20 7.525 6.229 2.461 1.00 0.00 C ATOM 300 C VAL A 20 7.671 7.697 2.886 1.00 0.00 C ATOM 301 O VAL A 20 6.687 8.412 3.052 1.00 0.00 O ATOM 302 CB VAL A 20 6.269 5.915 1.623 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.931 5.955 2.375 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.195 6.825 0.396 1.00 0.00 C ATOM 0 H VAL A 20 6.662 4.965 3.862 1.00 0.00 H new ATOM 0 HA VAL A 20 8.370 6.033 1.801 1.00 0.00 H new ATOM 0 HB VAL A 20 6.402 4.873 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.120 5.719 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.946 5.224 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.776 6.951 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.301 6.586 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.152 7.866 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.078 6.672 -0.224 1.00 0.00 H new ATOM 314 N GLU A 21 8.916 8.153 3.036 1.00 0.00 N ATOM 315 CA GLU A 21 9.255 9.541 3.288 1.00 0.00 C ATOM 316 C GLU A 21 10.687 9.726 2.778 1.00 0.00 C ATOM 317 O GLU A 21 11.543 10.307 3.436 1.00 0.00 O ATOM 318 CB GLU A 21 9.031 9.893 4.772 1.00 0.00 C ATOM 319 CG GLU A 21 8.367 11.269 4.920 1.00 0.00 C ATOM 320 CD GLU A 21 8.016 11.570 6.374 1.00 0.00 C ATOM 321 OE1 GLU A 21 8.963 11.611 7.188 1.00 0.00 O ATOM 322 OE2 GLU A 21 6.808 11.744 6.648 1.00 0.00 O ATOM 0 H GLU A 21 9.733 7.545 2.983 1.00 0.00 H new ATOM 0 HA GLU A 21 8.611 10.244 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.406 9.132 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.986 9.888 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.037 12.040 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.463 11.305 4.312 1.00 0.00 H new ATOM 329 N LYS A 22 10.917 9.200 1.566 1.00 0.00 N ATOM 330 CA LYS A 22 12.114 9.414 0.769 1.00 0.00 C ATOM 331 C LYS A 22 13.361 8.797 1.414 1.00 0.00 C ATOM 332 O LYS A 22 14.222 9.491 1.945 1.00 0.00 O ATOM 333 CB LYS A 22 12.248 10.904 0.440 1.00 0.00 C ATOM 334 CG LYS A 22 10.961 11.380 -0.249 1.00 0.00 C ATOM 335 CD LYS A 22 11.081 12.784 -0.853 1.00 0.00 C ATOM 336 CE LYS A 22 9.730 13.116 -1.505 1.00 0.00 C ATOM 337 NZ LYS A 22 9.694 14.421 -2.191 1.00 0.00 N ATOM 0 H LYS A 22 10.242 8.591 1.104 1.00 0.00 H new ATOM 0 HA LYS A 22 12.017 8.883 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.422 11.477 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.107 11.071 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.696 10.674 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.145 11.371 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.326 13.515 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.883 12.818 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.484 12.334 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.956 13.100 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.962 15.020 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.620 14.886 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.474 14.278 -3.197 1.00 0.00 H new ATOM 351 N GLY A 23 13.457 7.469 1.297 1.00 0.00 N ATOM 352 CA GLY A 23 14.568 6.661 1.787 1.00 0.00 C ATOM 353 C GLY A 23 14.077 5.668 2.836 1.00 0.00 C ATOM 354 O GLY A 23 14.695 5.508 3.884 1.00 0.00 O ATOM 0 H GLY A 23 12.735 6.911 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.031 6.126 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.334 7.306 2.217 1.00 0.00 H new ATOM 358 N GLY A 24 12.958 4.993 2.552 1.00 0.00 N ATOM 359 CA GLY A 24 12.286 4.155 3.534 1.00 0.00 C ATOM 360 C GLY A 24 13.061 2.896 3.884 1.00 0.00 C ATOM 361 O GLY A 24 12.998 2.419 5.014 1.00 0.00 O ATOM 0 H GLY A 24 12.501 5.016 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.119 4.734 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.305 3.874 3.151 1.00 0.00 H new ATOM 365 N LYS A 25 13.761 2.373 2.879 1.00 0.00 N ATOM 366 CA LYS A 25 14.395 1.066 2.851 1.00 0.00 C ATOM 367 C LYS A 25 13.307 -0.002 2.695 1.00 0.00 C ATOM 368 O LYS A 25 12.255 0.072 3.323 1.00 0.00 O ATOM 369 CB LYS A 25 15.273 0.868 4.098 1.00 0.00 C ATOM 370 CG LYS A 25 16.408 -0.154 3.947 1.00 0.00 C ATOM 371 CD LYS A 25 17.471 0.324 2.942 1.00 0.00 C ATOM 372 CE LYS A 25 18.790 -0.455 3.062 1.00 0.00 C ATOM 373 NZ LYS A 25 19.615 -0.005 4.204 1.00 0.00 N ATOM 0 H LYS A 25 13.907 2.887 2.010 1.00 0.00 H new ATOM 0 HA LYS A 25 15.069 0.979 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.707 1.830 4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.635 0.558 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.875 -0.326 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.998 -1.108 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.082 0.218 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.664 1.385 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.571 -1.517 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.360 -0.341 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.492 -0.562 4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.849 1.002 4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.085 -0.138 5.089 1.00 0.00 H new ATOM 387 N HIS A 26 13.535 -0.990 1.826 1.00 0.00 N ATOM 388 CA HIS A 26 12.505 -1.950 1.437 1.00 0.00 C ATOM 389 C HIS A 26 12.358 -3.062 2.488 1.00 0.00 C ATOM 390 O HIS A 26 12.431 -4.253 2.182 1.00 0.00 O ATOM 391 CB HIS A 26 12.831 -2.506 0.048 1.00 0.00 C ATOM 392 CG HIS A 26 13.106 -1.444 -0.996 1.00 0.00 C ATOM 393 ND1 HIS A 26 14.348 -0.962 -1.351 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.179 -0.757 -1.736 1.00 0.00 C ATOM 395 CE1 HIS A 26 14.164 0.001 -2.271 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.858 0.166 -2.537 1.00 0.00 N ATOM 0 H HIS A 26 14.437 -1.145 1.375 1.00 0.00 H new ATOM 0 HA HIS A 26 11.540 -1.446 1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.701 -3.158 0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.998 -3.124 -0.289 1.00 0.00 H new ATOM 0 HD1 HIS A 26 15.245 -1.279 -0.982 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.109 -0.903 -1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.960 0.566 -2.734 1.00 0.00 H new ATOM 404 N LYS A 27 12.189 -2.669 3.748 1.00 0.00 N ATOM 405 CA LYS A 27 12.163 -3.572 4.884 1.00 0.00 C ATOM 406 C LYS A 27 10.773 -4.184 5.007 1.00 0.00 C ATOM 407 O LYS A 27 9.895 -3.608 5.638 1.00 0.00 O ATOM 408 CB LYS A 27 12.582 -2.836 6.167 1.00 0.00 C ATOM 409 CG LYS A 27 12.519 -3.780 7.380 1.00 0.00 C ATOM 410 CD LYS A 27 13.056 -3.101 8.643 1.00 0.00 C ATOM 411 CE LYS A 27 12.834 -4.030 9.847 1.00 0.00 C ATOM 412 NZ LYS A 27 13.330 -3.439 11.108 1.00 0.00 N ATOM 0 H LYS A 27 12.064 -1.691 4.008 1.00 0.00 H new ATOM 0 HA LYS A 27 12.880 -4.379 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.594 -2.447 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.928 -1.980 6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.489 -4.096 7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.099 -4.680 7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.117 -2.881 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.548 -2.150 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.770 -4.248 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.339 -4.979 9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.159 -4.100 11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.350 -3.254 11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.830 -2.546 11.293 1.00 0.00 H new ATOM 426 N THR A 28 10.587 -5.372 4.433 1.00 0.00 N ATOM 427 CA THR A 28 9.376 -6.163 4.642 1.00 0.00 C ATOM 428 C THR A 28 8.164 -5.507 3.966 1.00 0.00 C ATOM 429 O THR A 28 7.037 -5.907 4.220 1.00 0.00 O ATOM 430 CB THR A 28 9.148 -6.406 6.153 1.00 0.00 C ATOM 431 OG1 THR A 28 10.393 -6.607 6.805 1.00 0.00 O ATOM 432 CG2 THR A 28 8.281 -7.637 6.448 1.00 0.00 C ATOM 0 H THR A 28 11.268 -5.811 3.813 1.00 0.00 H new ATOM 0 HA THR A 28 9.506 -7.137 4.170 1.00 0.00 H new ATOM 0 HB THR A 28 8.631 -5.519 6.519 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.241 -6.758 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.162 -7.748 7.526 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.302 -7.512 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.763 -8.527 6.043 1.00 0.00 H new ATOM 440 N GLY A 29 8.388 -4.546 3.070 1.00 0.00 N ATOM 441 CA GLY A 29 7.373 -3.757 2.414 1.00 0.00 C ATOM 442 C GLY A 29 8.161 -2.787 1.543 1.00 0.00 C ATOM 443 O GLY A 29 9.204 -2.298 1.978 1.00 0.00 O ATOM 0 H GLY A 29 9.331 -4.293 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.708 -4.380 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.750 -3.229 3.136 1.00 0.00 H new ATOM 447 N PRO A 30 7.776 -2.578 0.281 1.00 0.00 N ATOM 448 CA PRO A 30 8.475 -1.639 -0.572 1.00 0.00 C ATOM 449 C PRO A 30 8.037 -0.219 -0.205 1.00 0.00 C ATOM 450 O PRO A 30 6.848 0.023 -0.005 1.00 0.00 O ATOM 451 CB PRO A 30 8.065 -2.022 -1.995 1.00 0.00 C ATOM 452 CG PRO A 30 6.659 -2.592 -1.805 1.00 0.00 C ATOM 453 CD PRO A 30 6.706 -3.253 -0.433 1.00 0.00 C ATOM 0 HA PRO A 30 9.559 -1.669 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.064 -1.159 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.744 -2.757 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.903 -1.808 -1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.412 -3.312 -2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.755 -3.144 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.903 -4.322 -0.518 1.00 0.00 H new ATOM 461 N ASN A 31 8.963 0.741 -0.131 1.00 0.00 N ATOM 462 CA ASN A 31 8.567 2.140 -0.028 1.00 0.00 C ATOM 463 C ASN A 31 7.680 2.496 -1.225 1.00 0.00 C ATOM 464 O ASN A 31 8.018 2.164 -2.362 1.00 0.00 O ATOM 465 CB ASN A 31 9.771 3.085 0.125 1.00 0.00 C ATOM 466 CG ASN A 31 10.955 2.881 -0.826 1.00 0.00 C ATOM 467 OD1 ASN A 31 12.073 3.252 -0.478 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.760 2.275 -1.994 1.00 0.00 N ATOM 0 H ASN A 31 9.970 0.577 -0.140 1.00 0.00 H new ATOM 0 HA ASN A 31 7.990 2.277 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.414 4.108 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.141 2.996 1.147 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.548 2.110 -2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.823 1.975 -2.263 1.00 0.00 H new ATOM 475 N LEU A 32 6.535 3.132 -0.966 1.00 0.00 N ATOM 476 CA LEU A 32 5.436 3.290 -1.915 1.00 0.00 C ATOM 477 C LEU A 32 5.719 4.423 -2.917 1.00 0.00 C ATOM 478 O LEU A 32 4.893 5.307 -3.142 1.00 0.00 O ATOM 479 CB LEU A 32 4.133 3.513 -1.123 1.00 0.00 C ATOM 480 CG LEU A 32 3.840 2.440 -0.058 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.563 2.798 0.708 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.655 1.058 -0.690 1.00 0.00 C ATOM 0 H LEU A 32 6.344 3.564 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 32 5.330 2.386 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.181 4.487 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.299 3.548 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 32 4.695 2.409 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.363 2.034 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.691 3.763 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.725 2.852 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.450 0.325 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.819 1.087 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.564 0.777 -1.222 1.00 0.00 H new ATOM 494 N HIS A 33 6.905 4.398 -3.532 1.00 0.00 N ATOM 495 CA HIS A 33 7.385 5.432 -4.432 1.00 0.00 C ATOM 496 C HIS A 33 6.726 5.267 -5.803 1.00 0.00 C ATOM 497 O HIS A 33 7.332 4.766 -6.754 1.00 0.00 O ATOM 498 CB HIS A 33 8.917 5.386 -4.481 1.00 0.00 C ATOM 499 CG HIS A 33 9.520 6.526 -5.261 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.421 7.865 -4.948 1.00 0.00 N ATOM 501 CD2 HIS A 33 10.256 6.423 -6.412 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.088 8.550 -5.894 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.616 7.716 -6.804 1.00 0.00 N ATOM 0 H HIS A 33 7.570 3.634 -3.409 1.00 0.00 H new ATOM 0 HA HIS A 33 7.108 6.423 -4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.307 5.404 -3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.232 4.442 -4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.512 5.507 -6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.186 9.625 -5.918 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.170 7.975 -7.620 1.00 0.00 H new ATOM 511 N GLY A 34 5.464 5.682 -5.887 1.00 0.00 N ATOM 512 CA GLY A 34 4.680 5.626 -7.109 1.00 0.00 C ATOM 513 C GLY A 34 3.803 4.377 -7.095 1.00 0.00 C ATOM 514 O GLY A 34 4.272 3.282 -7.398 1.00 0.00 O ATOM 0 H GLY A 34 4.954 6.071 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.060 6.518 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.340 5.610 -7.976 1.00 0.00 H new ATOM 518 N LEU A 35 2.534 4.573 -6.734 1.00 0.00 N ATOM 519 CA LEU A 35 1.465 3.584 -6.752 1.00 0.00 C ATOM 520 C LEU A 35 0.531 3.980 -7.892 1.00 0.00 C ATOM 521 O LEU A 35 0.621 3.418 -8.977 1.00 0.00 O ATOM 522 CB LEU A 35 0.754 3.565 -5.385 1.00 0.00 C ATOM 523 CG LEU A 35 1.136 2.379 -4.485 1.00 0.00 C ATOM 524 CD1 LEU A 35 2.647 2.137 -4.388 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.553 2.649 -3.091 1.00 0.00 C ATOM 0 H LEU A 35 2.210 5.481 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 35 1.836 2.573 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.981 4.492 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.323 3.547 -5.550 1.00 0.00 H new ATOM 0 HG LEU A 35 0.726 1.472 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.838 1.285 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.047 1.931 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.132 3.023 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.806 1.824 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.969 3.576 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.531 2.739 -3.161 1.00 0.00 H new ATOM 537 N PHE A 36 -0.318 4.986 -7.662 1.00 0.00 N ATOM 538 CA PHE A 36 -1.266 5.513 -8.633 1.00 0.00 C ATOM 539 C PHE A 36 -0.625 5.714 -10.001 1.00 0.00 C ATOM 540 O PHE A 36 0.179 6.627 -10.170 1.00 0.00 O ATOM 541 CB PHE A 36 -1.864 6.819 -8.093 1.00 0.00 C ATOM 542 CG PHE A 36 -2.669 6.603 -6.827 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.908 5.946 -6.912 1.00 0.00 C ATOM 544 CD2 PHE A 36 -2.107 6.866 -5.563 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.580 5.558 -5.744 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.784 6.468 -4.397 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.051 5.874 -4.489 1.00 0.00 C ATOM 0 H PHE A 36 -0.361 5.468 -6.764 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.065 4.785 -8.775 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.061 7.529 -7.894 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.502 7.266 -8.855 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.344 5.739 -7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.156 7.373 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.510 5.013 -5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.328 6.620 -3.430 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.616 5.661 -3.594 1.00 0.00 H new ATOM 557 N GLY A 37 -0.974 4.857 -10.969 1.00 0.00 N ATOM 558 CA GLY A 37 -0.453 4.956 -12.327 1.00 0.00 C ATOM 559 C GLY A 37 0.676 3.958 -12.593 1.00 0.00 C ATOM 560 O GLY A 37 0.823 3.477 -13.714 1.00 0.00 O ATOM 0 H GLY A 37 -1.622 4.082 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.262 4.783 -13.037 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.088 5.968 -12.500 1.00 0.00 H new ATOM 564 N ARG A 38 1.494 3.653 -11.583 1.00 0.00 N ATOM 565 CA ARG A 38 2.666 2.810 -11.731 1.00 0.00 C ATOM 566 C ARG A 38 2.223 1.347 -11.680 1.00 0.00 C ATOM 567 O ARG A 38 1.698 0.887 -10.669 1.00 0.00 O ATOM 568 CB ARG A 38 3.695 3.132 -10.633 1.00 0.00 C ATOM 569 CG ARG A 38 5.122 3.097 -11.200 1.00 0.00 C ATOM 570 CD ARG A 38 6.171 3.076 -10.081 1.00 0.00 C ATOM 571 NE ARG A 38 6.221 1.754 -9.441 1.00 0.00 N ATOM 572 CZ ARG A 38 7.023 1.404 -8.423 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.689 2.323 -7.714 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.177 0.107 -8.133 1.00 0.00 N ATOM 0 H ARG A 38 1.353 3.992 -10.631 1.00 0.00 H new ATOM 0 HA ARG A 38 3.150 2.998 -12.689 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.489 4.116 -10.212 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.604 2.412 -9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.243 2.216 -11.830 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.284 3.968 -11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.150 3.325 -10.489 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.932 3.837 -9.338 1.00 0.00 H new ATOM 0 HE ARG A 38 5.590 1.039 -9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.593 3.312 -7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.293 2.034 -6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.688 -0.600 -8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.783 -0.175 -7.362 1.00 0.00 H new ATOM 588 N LYS A 39 2.421 0.611 -12.774 1.00 0.00 N ATOM 589 CA LYS A 39 1.996 -0.774 -12.838 1.00 0.00 C ATOM 590 C LYS A 39 2.843 -1.622 -11.879 1.00 0.00 C ATOM 591 O LYS A 39 4.071 -1.569 -11.945 1.00 0.00 O ATOM 592 CB LYS A 39 1.949 -1.242 -14.306 1.00 0.00 C ATOM 593 CG LYS A 39 3.310 -1.478 -14.988 1.00 0.00 C ATOM 594 CD LYS A 39 3.850 -2.883 -14.667 1.00 0.00 C ATOM 595 CE LYS A 39 4.096 -3.773 -15.895 1.00 0.00 C ATOM 596 NZ LYS A 39 5.411 -3.538 -16.525 1.00 0.00 N ATOM 0 H LYS A 39 2.872 0.956 -13.621 1.00 0.00 H new ATOM 0 HA LYS A 39 0.973 -0.898 -12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.377 -2.169 -14.352 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.400 -0.500 -14.885 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.205 -1.362 -16.067 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.024 -0.725 -14.654 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.785 -2.781 -14.116 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.144 -3.386 -14.006 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.023 -4.819 -15.599 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.311 -3.594 -16.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.307 -3.549 -17.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.780 -2.614 -16.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.073 -4.286 -16.236 1.00 0.00 H new ATOM 610 N THR A 40 2.208 -2.368 -10.967 1.00 0.00 N ATOM 611 CA THR A 40 2.921 -3.303 -10.101 1.00 0.00 C ATOM 612 C THR A 40 3.216 -4.594 -10.869 1.00 0.00 C ATOM 613 O THR A 40 3.186 -4.644 -12.095 1.00 0.00 O ATOM 614 CB THR A 40 2.149 -3.549 -8.798 1.00 0.00 C ATOM 615 OG1 THR A 40 2.928 -4.293 -7.879 1.00 0.00 O ATOM 616 CG2 THR A 40 0.828 -4.293 -8.985 1.00 0.00 C ATOM 0 H THR A 40 1.200 -2.339 -10.813 1.00 0.00 H new ATOM 0 HA THR A 40 3.876 -2.868 -9.807 1.00 0.00 H new ATOM 0 HB THR A 40 1.928 -2.551 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.004 -3.796 -7.038 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.345 -4.426 -8.017 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.175 -3.716 -9.640 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.020 -5.268 -9.432 1.00 0.00 H new ATOM 624 N GLY A 41 3.468 -5.665 -10.130 1.00 0.00 N ATOM 625 CA GLY A 41 3.742 -6.972 -10.677 1.00 0.00 C ATOM 626 C GLY A 41 5.120 -7.005 -11.340 1.00 0.00 C ATOM 627 O GLY A 41 5.348 -7.812 -12.244 1.00 0.00 O ATOM 0 H GLY A 41 3.486 -5.641 -9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.696 -7.720 -9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.976 -7.234 -11.407 1.00 0.00 H new ATOM 631 N GLN A 42 6.048 -6.145 -10.897 1.00 0.00 N ATOM 632 CA GLN A 42 7.378 -5.972 -11.470 1.00 0.00 C ATOM 633 C GLN A 42 8.127 -4.885 -10.690 1.00 0.00 C ATOM 634 O GLN A 42 7.808 -3.704 -10.812 1.00 0.00 O ATOM 635 CB GLN A 42 7.287 -5.598 -12.963 1.00 0.00 C ATOM 636 CG GLN A 42 8.670 -5.489 -13.617 1.00 0.00 C ATOM 637 CD GLN A 42 8.550 -5.381 -15.135 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.596 -4.796 -15.651 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.497 -5.959 -15.868 1.00 0.00 N ATOM 0 H GLN A 42 5.881 -5.531 -10.100 1.00 0.00 H new ATOM 0 HA GLN A 42 7.923 -6.913 -11.395 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.696 -6.348 -13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.762 -4.649 -13.067 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.193 -4.616 -13.227 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.269 -6.362 -13.357 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.275 -6.436 -15.412 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.446 -5.925 -16.886 1.00 0.00 H new ATOM 648 N ALA A 43 9.138 -5.274 -9.912 1.00 0.00 N ATOM 649 CA ALA A 43 10.211 -4.395 -9.447 1.00 0.00 C ATOM 650 C ALA A 43 11.530 -4.899 -10.043 1.00 0.00 C ATOM 651 O ALA A 43 11.600 -6.063 -10.431 1.00 0.00 O ATOM 652 CB ALA A 43 10.280 -4.419 -7.917 1.00 0.00 C ATOM 0 H ALA A 43 9.235 -6.233 -9.580 1.00 0.00 H new ATOM 0 HA ALA A 43 10.024 -3.369 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.081 -3.762 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.331 -4.076 -7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.477 -5.436 -7.578 1.00 0.00 H new ATOM 658 N PRO A 44 12.582 -4.067 -10.111 1.00 0.00 N ATOM 659 CA PRO A 44 13.881 -4.493 -10.614 1.00 0.00 C ATOM 660 C PRO A 44 14.573 -5.496 -9.691 1.00 0.00 C ATOM 661 O PRO A 44 15.326 -6.342 -10.165 1.00 0.00 O ATOM 662 CB PRO A 44 14.698 -3.210 -10.795 1.00 0.00 C ATOM 663 CG PRO A 44 14.070 -2.242 -9.792 1.00 0.00 C ATOM 664 CD PRO A 44 12.595 -2.643 -9.806 1.00 0.00 C ATOM 0 HA PRO A 44 13.774 -5.030 -11.556 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.755 -3.375 -10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.630 -2.831 -11.815 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.508 -2.348 -8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.209 -1.203 -10.092 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.125 -2.444 -8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.041 -2.076 -10.554 1.00 0.00 H new ATOM 672 N GLY A 45 14.333 -5.387 -8.383 1.00 0.00 N ATOM 673 CA GLY A 45 14.949 -6.233 -7.368 1.00 0.00 C ATOM 674 C GLY A 45 13.892 -6.963 -6.544 1.00 0.00 C ATOM 675 O GLY A 45 13.421 -8.033 -6.928 1.00 0.00 O ATOM 0 H GLY A 45 13.692 -4.694 -7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.607 -6.959 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.570 -5.624 -6.711 1.00 0.00 H new ATOM 679 N PHE A 46 13.508 -6.386 -5.400 1.00 0.00 N ATOM 680 CA PHE A 46 12.513 -6.974 -4.509 1.00 0.00 C ATOM 681 C PHE A 46 11.131 -6.851 -5.151 1.00 0.00 C ATOM 682 O PHE A 46 10.336 -5.983 -4.802 1.00 0.00 O ATOM 683 CB PHE A 46 12.586 -6.320 -3.117 1.00 0.00 C ATOM 684 CG PHE A 46 11.430 -6.632 -2.177 1.00 0.00 C ATOM 685 CD1 PHE A 46 11.003 -7.958 -1.954 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.675 -5.567 -1.651 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.822 -8.205 -1.226 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.516 -5.825 -0.904 1.00 0.00 C ATOM 689 CZ PHE A 46 9.082 -7.140 -0.698 1.00 0.00 C ATOM 0 H PHE A 46 13.882 -5.496 -5.069 1.00 0.00 H new ATOM 0 HA PHE A 46 12.717 -8.034 -4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.514 -6.633 -2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.643 -5.239 -3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.581 -8.784 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.989 -4.548 -1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.486 -9.220 -1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.954 -5.003 -0.485 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.181 -7.332 -0.135 1.00 0.00 H new ATOM 699 N THR A 47 10.840 -7.736 -6.103 1.00 0.00 N ATOM 700 CA THR A 47 9.568 -7.749 -6.804 1.00 0.00 C ATOM 701 C THR A 47 8.495 -8.539 -6.057 1.00 0.00 C ATOM 702 O THR A 47 7.595 -9.061 -6.707 1.00 0.00 O ATOM 703 CB THR A 47 9.765 -8.182 -8.264 1.00 0.00 C ATOM 704 OG1 THR A 47 8.602 -7.854 -9.003 1.00 0.00 O ATOM 705 CG2 THR A 47 10.094 -9.667 -8.408 1.00 0.00 C ATOM 0 H THR A 47 11.486 -8.465 -6.407 1.00 0.00 H new ATOM 0 HA THR A 47 9.179 -6.731 -6.831 1.00 0.00 H new ATOM 0 HB THR A 47 10.627 -7.644 -8.657 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.809 -8.169 -8.521 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.221 -9.911 -9.463 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.016 -9.889 -7.870 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.280 -10.262 -7.994 1.00 0.00 H new ATOM 713 N TYR A 48 8.531 -8.535 -4.718 1.00 0.00 N ATOM 714 CA TYR A 48 7.504 -9.088 -3.849 1.00 0.00 C ATOM 715 C TYR A 48 7.207 -10.580 -4.085 1.00 0.00 C ATOM 716 O TYR A 48 7.834 -11.239 -4.911 1.00 0.00 O ATOM 717 CB TYR A 48 6.257 -8.190 -3.816 1.00 0.00 C ATOM 718 CG TYR A 48 6.066 -7.186 -4.929 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.812 -5.999 -4.928 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.242 -7.490 -6.020 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.820 -5.180 -6.072 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.122 -6.584 -7.079 1.00 0.00 C ATOM 723 CZ TYR A 48 5.974 -5.476 -7.155 1.00 0.00 C ATOM 724 OH TYR A 48 6.106 -4.825 -8.348 1.00 0.00 O ATOM 0 H TYR A 48 9.309 -8.129 -4.198 1.00 0.00 H new ATOM 0 HA TYR A 48 7.916 -9.081 -2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.381 -8.838 -3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.266 -7.643 -2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.378 -5.715 -4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.699 -8.424 -6.044 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.476 -4.324 -6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.371 -6.740 -7.839 1.00 0.00 H new ATOM 0 HH TYR A 48 6.839 -4.177 -8.288 1.00 0.00 H new ATOM 734 N THR A 49 6.286 -11.134 -3.293 1.00 0.00 N ATOM 735 CA THR A 49 5.853 -12.523 -3.456 1.00 0.00 C ATOM 736 C THR A 49 5.140 -12.705 -4.793 1.00 0.00 C ATOM 737 O THR A 49 4.429 -11.797 -5.208 1.00 0.00 O ATOM 738 CB THR A 49 4.893 -12.962 -2.341 1.00 0.00 C ATOM 739 OG1 THR A 49 3.725 -12.166 -2.303 1.00 0.00 O ATOM 740 CG2 THR A 49 5.574 -12.981 -0.980 1.00 0.00 C ATOM 0 H THR A 49 5.824 -10.639 -2.530 1.00 0.00 H new ATOM 0 HA THR A 49 6.753 -13.137 -3.412 1.00 0.00 H new ATOM 0 HB THR A 49 4.592 -13.982 -2.579 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.935 -12.745 -2.286 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.859 -13.297 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.412 -13.678 -1.002 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.939 -11.982 -0.742 1.00 0.00 H new ATOM 748 N ASP A 50 5.261 -13.884 -5.419 1.00 0.00 N ATOM 749 CA ASP A 50 4.564 -14.284 -6.647 1.00 0.00 C ATOM 750 C ASP A 50 3.104 -13.832 -6.647 1.00 0.00 C ATOM 751 O ASP A 50 2.647 -13.218 -7.597 1.00 0.00 O ATOM 752 CB ASP A 50 4.694 -15.797 -6.857 1.00 0.00 C ATOM 753 CG ASP A 50 4.626 -16.129 -8.343 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.594 -15.787 -8.957 1.00 0.00 O ATOM 755 OD2 ASP A 50 5.625 -16.685 -8.841 1.00 0.00 O ATOM 0 H ASP A 50 5.876 -14.617 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 50 5.040 -13.781 -7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.638 -16.150 -6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.897 -16.315 -6.324 1.00 0.00 H new ATOM 760 N ALA A 51 2.377 -14.047 -5.550 1.00 0.00 N ATOM 761 CA ALA A 51 0.978 -13.646 -5.445 1.00 0.00 C ATOM 762 C ALA A 51 0.768 -12.154 -5.731 1.00 0.00 C ATOM 763 O ALA A 51 -0.208 -11.777 -6.380 1.00 0.00 O ATOM 764 CB ALA A 51 0.447 -14.035 -4.061 1.00 0.00 C ATOM 0 H ALA A 51 2.742 -14.502 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 51 0.412 -14.175 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.598 -13.738 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.530 -15.114 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.031 -13.530 -3.292 1.00 0.00 H new ATOM 770 N ASN A 52 1.681 -11.302 -5.262 1.00 0.00 N ATOM 771 CA ASN A 52 1.637 -9.866 -5.517 1.00 0.00 C ATOM 772 C ASN A 52 2.232 -9.558 -6.897 1.00 0.00 C ATOM 773 O ASN A 52 1.711 -8.731 -7.642 1.00 0.00 O ATOM 774 CB ASN A 52 2.367 -9.123 -4.385 1.00 0.00 C ATOM 775 CG ASN A 52 1.432 -8.267 -3.540 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.873 -8.737 -2.557 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.255 -6.999 -3.907 1.00 0.00 N ATOM 0 H ASN A 52 2.475 -11.593 -4.692 1.00 0.00 H new ATOM 0 HA ASN A 52 0.604 -9.518 -5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.866 -9.849 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.143 -8.490 -4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.641 -6.392 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.734 -6.635 -4.731 1.00 0.00 H new ATOM 784 N LYS A 53 3.315 -10.251 -7.248 1.00 0.00 N ATOM 785 CA LYS A 53 4.056 -10.129 -8.495 1.00 0.00 C ATOM 786 C LYS A 53 3.146 -10.460 -9.682 1.00 0.00 C ATOM 787 O LYS A 53 3.296 -9.916 -10.774 1.00 0.00 O ATOM 788 CB LYS A 53 5.316 -11.010 -8.403 1.00 0.00 C ATOM 789 CG LYS A 53 5.820 -11.641 -9.704 1.00 0.00 C ATOM 790 CD LYS A 53 6.361 -10.563 -10.648 1.00 0.00 C ATOM 791 CE LYS A 53 6.267 -11.046 -12.098 1.00 0.00 C ATOM 792 NZ LYS A 53 6.670 -9.993 -13.049 1.00 0.00 N ATOM 0 H LYS A 53 3.720 -10.954 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 53 4.391 -9.105 -8.661 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.122 -10.406 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.117 -11.812 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.603 -12.366 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.009 -12.185 -10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.793 -9.641 -10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.397 -10.335 -10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.903 -11.921 -12.232 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.245 -11.359 -12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.205 -10.156 -13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.388 -9.063 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.702 -10.017 -13.176 1.00 0.00 H new ATOM 806 N ASN A 54 2.204 -11.370 -9.466 1.00 0.00 N ATOM 807 CA ASN A 54 1.330 -11.901 -10.486 1.00 0.00 C ATOM 808 C ASN A 54 0.267 -10.870 -10.893 1.00 0.00 C ATOM 809 O ASN A 54 -0.281 -10.955 -11.986 1.00 0.00 O ATOM 810 CB ASN A 54 0.673 -13.186 -9.968 1.00 0.00 C ATOM 811 CG ASN A 54 -0.243 -13.814 -11.011 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.461 -13.697 -10.930 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.336 -14.500 -11.994 1.00 0.00 N ATOM 0 H ASN A 54 2.028 -11.767 -8.543 1.00 0.00 H new ATOM 0 HA ASN A 54 1.918 -12.130 -11.375 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.446 -13.901 -9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.100 -12.964 -9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.237 -14.948 -12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.352 -14.578 -12.032 1.00 0.00 H new ATOM 820 N LYS A 55 -0.054 -9.917 -10.003 1.00 0.00 N ATOM 821 CA LYS A 55 -1.248 -9.082 -10.112 1.00 0.00 C ATOM 822 C LYS A 55 -1.281 -8.242 -11.393 1.00 0.00 C ATOM 823 O LYS A 55 -2.264 -8.283 -12.127 1.00 0.00 O ATOM 824 CB LYS A 55 -1.351 -8.170 -8.885 1.00 0.00 C ATOM 825 CG LYS A 55 -1.907 -8.885 -7.645 1.00 0.00 C ATOM 826 CD LYS A 55 -3.446 -8.811 -7.540 1.00 0.00 C ATOM 827 CE LYS A 55 -4.130 -10.181 -7.684 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.547 -10.144 -7.252 1.00 0.00 N ATOM 0 H LYS A 55 0.516 -9.708 -9.184 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.105 -9.755 -10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.364 -7.770 -8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.991 -7.321 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.601 -9.931 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.466 -8.444 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.718 -8.376 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.824 -8.140 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.077 -10.505 -8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.590 -10.920 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.045 -10.978 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.593 -10.147 -6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.999 -9.281 -7.616 1.00 0.00 H new ATOM 842 N GLY A 56 -0.247 -7.427 -11.619 1.00 0.00 N ATOM 843 CA GLY A 56 -0.176 -6.543 -12.779 1.00 0.00 C ATOM 844 C GLY A 56 -1.363 -5.575 -12.856 1.00 0.00 C ATOM 845 O GLY A 56 -2.094 -5.561 -13.843 1.00 0.00 O ATOM 0 H GLY A 56 0.563 -7.364 -11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.752 -5.972 -12.740 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.142 -7.144 -13.688 1.00 0.00 H new ATOM 849 N ILE A 57 -1.529 -4.735 -11.830 1.00 0.00 N ATOM 850 CA ILE A 57 -2.516 -3.666 -11.771 1.00 0.00 C ATOM 851 C ILE A 57 -1.805 -2.321 -11.703 1.00 0.00 C ATOM 852 O ILE A 57 -0.602 -2.268 -11.486 1.00 0.00 O ATOM 853 CB ILE A 57 -3.417 -3.820 -10.540 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.621 -3.966 -9.234 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.393 -4.985 -10.753 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.443 -3.549 -8.019 1.00 0.00 C ATOM 0 H ILE A 57 -0.955 -4.788 -10.988 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.134 -3.720 -12.667 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.990 -2.900 -10.428 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.300 -5.001 -9.118 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.719 -3.357 -9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.031 -5.090 -9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.011 -4.787 -11.629 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.832 -5.907 -10.906 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.844 -3.667 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.741 -2.506 -8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.332 -4.176 -7.949 1.00 0.00 H new ATOM 868 N THR A 58 -2.557 -1.232 -11.848 1.00 0.00 N ATOM 869 CA THR A 58 -2.043 0.127 -11.989 1.00 0.00 C ATOM 870 C THR A 58 -2.075 0.899 -10.659 1.00 0.00 C ATOM 871 O THR A 58 -2.061 2.132 -10.661 1.00 0.00 O ATOM 872 CB THR A 58 -2.899 0.782 -13.085 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.235 -0.207 -14.044 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.183 1.926 -13.798 1.00 0.00 C ATOM 0 H THR A 58 -3.576 -1.274 -11.871 1.00 0.00 H new ATOM 0 HA THR A 58 -0.990 0.130 -12.270 1.00 0.00 H new ATOM 0 HB THR A 58 -3.782 1.201 -12.603 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.783 0.195 -14.750 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.839 2.347 -14.560 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.923 2.699 -13.075 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.275 1.550 -14.269 1.00 0.00 H new ATOM 882 N TRP A 59 -2.174 0.161 -9.539 1.00 0.00 N ATOM 883 CA TRP A 59 -2.468 0.655 -8.199 1.00 0.00 C ATOM 884 C TRP A 59 -3.354 1.897 -8.221 1.00 0.00 C ATOM 885 O TRP A 59 -3.031 2.934 -7.650 1.00 0.00 O ATOM 886 CB TRP A 59 -1.180 0.820 -7.387 1.00 0.00 C ATOM 887 CG TRP A 59 -0.629 -0.442 -6.801 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.651 -0.845 -6.923 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.289 -1.448 -5.965 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.810 -2.059 -6.294 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.353 -2.489 -5.696 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.579 -1.596 -5.405 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.686 -3.628 -4.947 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.908 -2.709 -4.609 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.967 -3.727 -4.383 1.00 0.00 C ATOM 0 H TRP A 59 -2.042 -0.850 -9.555 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.063 -0.096 -7.680 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.420 1.266 -8.029 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.368 1.526 -6.578 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.431 -0.300 -7.435 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.687 -2.579 -6.273 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.327 -0.840 -5.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.035 -4.419 -4.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.891 -2.781 -4.169 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.228 -4.582 -3.778 1.00 0.00 H new ATOM 906 N LYS A 60 -4.503 1.760 -8.876 1.00 0.00 N ATOM 907 CA LYS A 60 -5.474 2.829 -8.982 1.00 0.00 C ATOM 908 C LYS A 60 -6.366 2.855 -7.737 1.00 0.00 C ATOM 909 O LYS A 60 -6.406 1.889 -6.967 1.00 0.00 O ATOM 910 CB LYS A 60 -6.303 2.643 -10.255 1.00 0.00 C ATOM 911 CG LYS A 60 -6.813 1.199 -10.407 1.00 0.00 C ATOM 912 CD LYS A 60 -8.143 1.175 -11.155 1.00 0.00 C ATOM 913 CE LYS A 60 -8.024 1.439 -12.660 1.00 0.00 C ATOM 914 NZ LYS A 60 -9.300 1.966 -13.190 1.00 0.00 N ATOM 0 H LYS A 60 -4.782 0.900 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.958 3.787 -9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.152 3.327 -10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.698 2.907 -11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.076 0.602 -10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.934 0.745 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.614 0.204 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.806 1.922 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.222 2.152 -12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.760 0.517 -13.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.552 1.456 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.051 1.834 -12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.196 2.979 -13.400 1.00 0.00 H new ATOM 928 N GLU A 61 -7.135 3.938 -7.582 1.00 0.00 N ATOM 929 CA GLU A 61 -8.004 4.201 -6.432 1.00 0.00 C ATOM 930 C GLU A 61 -9.304 3.386 -6.463 1.00 0.00 C ATOM 931 O GLU A 61 -10.384 3.897 -6.181 1.00 0.00 O ATOM 932 CB GLU A 61 -8.238 5.714 -6.282 1.00 0.00 C ATOM 933 CG GLU A 61 -8.791 6.438 -7.518 1.00 0.00 C ATOM 934 CD GLU A 61 -8.824 7.927 -7.226 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.708 8.397 -6.480 1.00 0.00 O ATOM 936 OE2 GLU A 61 -7.868 8.641 -7.587 1.00 0.00 O ATOM 0 H GLU A 61 -7.170 4.682 -8.279 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.489 3.855 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.928 5.874 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.293 6.181 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.165 6.236 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.792 6.075 -7.754 1.00 0.00 H new ATOM 943 N GLU A 62 -9.168 2.092 -6.757 1.00 0.00 N ATOM 944 CA GLU A 62 -10.230 1.103 -6.774 1.00 0.00 C ATOM 945 C GLU A 62 -9.627 -0.178 -6.191 1.00 0.00 C ATOM 946 O GLU A 62 -10.008 -0.659 -5.125 1.00 0.00 O ATOM 947 CB GLU A 62 -10.735 0.902 -8.218 1.00 0.00 C ATOM 948 CG GLU A 62 -11.041 2.220 -8.946 1.00 0.00 C ATOM 949 CD GLU A 62 -11.733 1.956 -10.283 1.00 0.00 C ATOM 950 OE1 GLU A 62 -12.950 1.694 -10.253 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.027 1.975 -11.320 1.00 0.00 O ATOM 0 H GLU A 62 -8.263 1.691 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.094 1.412 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.985 0.349 -8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.636 0.289 -8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.677 2.847 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.116 2.771 -9.113 1.00 0.00 H new ATOM 958 N THR A 63 -8.599 -0.685 -6.872 1.00 0.00 N ATOM 959 CA THR A 63 -7.888 -1.889 -6.496 1.00 0.00 C ATOM 960 C THR A 63 -7.180 -1.699 -5.157 1.00 0.00 C ATOM 961 O THR A 63 -7.180 -2.604 -4.325 1.00 0.00 O ATOM 962 CB THR A 63 -6.907 -2.243 -7.619 1.00 0.00 C ATOM 963 OG1 THR A 63 -6.144 -1.107 -7.994 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.659 -2.729 -8.861 1.00 0.00 C ATOM 0 H THR A 63 -8.235 -0.252 -7.721 1.00 0.00 H new ATOM 0 HA THR A 63 -8.587 -2.715 -6.365 1.00 0.00 H new ATOM 0 HB THR A 63 -6.253 -3.029 -7.242 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.522 -1.353 -8.711 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.944 -2.975 -9.646 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.242 -3.615 -8.610 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.328 -1.943 -9.212 1.00 0.00 H new ATOM 972 N LEU A 64 -6.587 -0.518 -4.935 1.00 0.00 N ATOM 973 CA LEU A 64 -5.998 -0.187 -3.652 1.00 0.00 C ATOM 974 C LEU A 64 -7.034 -0.300 -2.539 1.00 0.00 C ATOM 975 O LEU A 64 -6.720 -0.777 -1.455 1.00 0.00 O ATOM 976 CB LEU A 64 -5.422 1.236 -3.700 1.00 0.00 C ATOM 977 CG LEU A 64 -3.897 1.267 -3.515 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.274 2.066 -4.652 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.534 1.905 -2.180 1.00 0.00 C ATOM 0 H LEU A 64 -6.508 0.219 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.194 -0.893 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.677 1.694 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.890 1.839 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.515 0.246 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.191 2.092 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.518 1.595 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.666 3.083 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.450 1.918 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.915 2.926 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.977 1.328 -1.368 1.00 0.00 H new ATOM 991 N MET A 65 -8.263 0.153 -2.790 1.00 0.00 N ATOM 992 CA MET A 65 -9.296 0.140 -1.785 1.00 0.00 C ATOM 993 C MET A 65 -9.649 -1.308 -1.429 1.00 0.00 C ATOM 994 O MET A 65 -9.707 -1.647 -0.246 1.00 0.00 O ATOM 995 CB MET A 65 -10.472 0.979 -2.296 1.00 0.00 C ATOM 996 CG MET A 65 -11.417 1.338 -1.154 1.00 0.00 C ATOM 997 SD MET A 65 -12.562 2.705 -1.485 1.00 0.00 S ATOM 998 CE MET A 65 -11.432 4.115 -1.410 1.00 0.00 C ATOM 0 H MET A 65 -8.556 0.533 -3.690 1.00 0.00 H new ATOM 0 HA MET A 65 -8.967 0.595 -0.851 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.099 1.889 -2.765 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.014 0.425 -3.062 1.00 0.00 H new ATOM 0 HG2 MET A 65 -12.000 0.454 -0.897 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.820 1.592 -0.278 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.997 5.040 -1.523 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.918 4.119 -0.449 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.699 4.037 -2.213 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.842 -2.167 -2.440 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.129 -3.577 -2.185 1.00 0.00 C ATOM 1010 C GLU A 66 -8.989 -4.232 -1.390 1.00 0.00 C ATOM 1011 O GLU A 66 -9.240 -4.892 -0.384 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.428 -4.342 -3.485 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.116 -5.679 -3.152 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.309 -6.585 -4.359 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -11.233 -6.079 -5.496 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.502 -7.799 -4.117 1.00 0.00 O ATOM 0 H GLU A 66 -9.805 -1.911 -3.427 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.031 -3.627 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.069 -3.743 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.503 -4.524 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.523 -6.206 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.088 -5.475 -2.703 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.740 -4.045 -1.827 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.558 -4.555 -1.136 1.00 0.00 C ATOM 1025 C TYR A 67 -6.567 -4.116 0.319 1.00 0.00 C ATOM 1026 O TYR A 67 -6.624 -4.950 1.210 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.294 -4.064 -1.853 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.972 -4.602 -1.324 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.796 -5.977 -1.076 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.864 -3.741 -1.224 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.528 -6.492 -0.767 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.595 -4.260 -0.922 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.419 -5.637 -0.719 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.170 -6.154 -0.576 1.00 0.00 O ATOM 0 H TYR A 67 -7.522 -3.530 -2.680 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.568 -5.645 -1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.374 -4.327 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.269 -2.976 -1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.646 -6.642 -1.124 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.990 -2.680 -1.380 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.407 -7.546 -0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.748 -3.594 -0.845 1.00 0.00 H new ATOM 0 HH TYR A 67 0.210 -5.859 0.278 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.503 -2.816 0.583 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.381 -2.327 1.944 1.00 0.00 C ATOM 1046 C LEU A 68 -7.556 -2.748 2.825 1.00 0.00 C ATOM 1047 O LEU A 68 -7.358 -2.991 4.015 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.153 -0.808 1.952 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.674 -0.415 1.799 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.895 -0.800 3.056 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -3.973 -1.031 0.585 1.00 0.00 C ATOM 0 H LEU A 68 -6.534 -2.086 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.503 -2.796 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.727 -0.357 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.537 -0.395 2.885 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.681 0.664 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.849 -0.517 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.315 -0.281 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.964 -1.877 3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.935 -0.699 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.005 -2.118 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.480 -0.715 -0.327 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.762 -2.858 2.264 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.895 -3.380 3.016 1.00 0.00 C ATOM 1065 C GLU A 69 -9.655 -4.852 3.392 1.00 0.00 C ATOM 1066 O GLU A 69 -9.730 -5.213 4.566 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.185 -3.149 2.215 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.457 -3.424 3.034 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.123 -4.733 2.631 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.801 -4.705 1.582 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -12.944 -5.730 3.365 1.00 0.00 O ATOM 0 H GLU A 69 -8.974 -2.595 1.302 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.007 -2.847 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.205 -2.119 1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.180 -3.792 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.206 -3.456 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.160 -2.602 2.898 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.344 -5.695 2.401 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.334 -7.150 2.538 1.00 0.00 C ATOM 1080 C ASN A 70 -8.102 -7.773 1.865 1.00 0.00 C ATOM 1081 O ASN A 70 -8.220 -8.533 0.903 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.644 -7.695 1.948 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.276 -8.725 2.874 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.786 -9.845 2.997 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.356 -8.352 3.550 1.00 0.00 N ATOM 0 H ASN A 70 -9.088 -5.377 1.466 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.268 -7.421 3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.341 -6.874 1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.448 -8.147 0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.804 -9.003 4.195 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.738 -7.414 3.425 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.888 -7.497 2.352 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.675 -7.713 1.576 1.00 0.00 C ATOM 1094 C PRO A 71 -5.437 -9.190 1.284 1.00 0.00 C ATOM 1095 O PRO A 71 -5.171 -9.562 0.143 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.542 -7.047 2.361 1.00 0.00 C ATOM 1097 CG PRO A 71 -5.103 -6.932 3.778 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.612 -6.810 3.594 1.00 0.00 C ATOM 0 HA PRO A 71 -5.748 -7.266 0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.632 -7.647 2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.290 -6.070 1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.847 -7.807 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.696 -6.063 4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.150 -7.264 4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.922 -5.766 3.546 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.591 -10.038 2.303 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.463 -11.476 2.166 1.00 0.00 C ATOM 1108 C LYS A 72 -6.439 -12.059 1.134 1.00 0.00 C ATOM 1109 O LYS A 72 -6.188 -13.134 0.595 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.622 -12.129 3.548 1.00 0.00 C ATOM 1111 CG LYS A 72 -7.066 -12.122 4.075 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.119 -12.761 5.469 1.00 0.00 C ATOM 1113 CE LYS A 72 -8.578 -13.001 5.890 1.00 0.00 C ATOM 1114 NZ LYS A 72 -8.676 -13.632 7.224 1.00 0.00 N ATOM 0 H LYS A 72 -5.810 -9.735 3.252 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.469 -11.701 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.269 -13.159 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.982 -11.609 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.440 -11.099 4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.714 -12.669 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.574 -13.705 5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.626 -12.112 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.113 -12.051 5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.068 -13.636 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.677 -13.775 7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.188 -14.550 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.232 -13.015 7.934 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.573 -11.388 0.890 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.560 -11.838 -0.080 1.00 0.00 C ATOM 1130 C LYS A 73 -8.193 -11.304 -1.463 1.00 0.00 C ATOM 1131 O LYS A 73 -8.217 -12.056 -2.435 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.967 -11.423 0.373 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.056 -11.825 -0.633 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.455 -10.642 -1.531 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.166 -11.138 -2.797 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.676 -10.019 -3.615 1.00 0.00 N ATOM 0 H LYS A 73 -7.824 -10.520 1.363 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.562 -12.926 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.183 -11.881 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.994 -10.343 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.697 -12.648 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.933 -12.188 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.110 -9.966 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.567 -10.072 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.475 -11.737 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.993 -11.790 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.806 -10.337 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.588 -9.697 -3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.994 -9.234 -3.593 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.861 -10.012 -1.570 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.445 -9.424 -2.831 1.00 0.00 C ATOM 1152 C TYR A 74 -6.254 -10.180 -3.433 1.00 0.00 C ATOM 1153 O TYR A 74 -6.169 -10.343 -4.655 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.092 -7.955 -2.592 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.829 -7.177 -3.865 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.871 -7.023 -4.793 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.534 -6.740 -4.194 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.607 -6.515 -6.072 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.263 -6.243 -5.481 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.298 -6.164 -6.427 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.004 -5.945 -7.737 1.00 0.00 O ATOM 0 H TYR A 74 -7.875 -9.357 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.263 -9.495 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.907 -7.479 -2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.209 -7.902 -1.955 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.879 -7.297 -4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.746 -6.786 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.411 -6.394 -6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.264 -5.924 -5.741 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.799 -5.604 -8.198 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.318 -10.603 -2.577 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.136 -11.373 -2.944 1.00 0.00 C ATOM 1173 C ILE A 75 -4.001 -12.570 -1.990 1.00 0.00 C ATOM 1174 O ILE A 75 -3.595 -12.384 -0.841 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.887 -10.471 -2.934 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.041 -9.409 -4.034 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.630 -11.306 -3.217 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.995 -8.298 -3.979 1.00 0.00 C ATOM 0 H ILE A 75 -5.369 -10.410 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.237 -11.759 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.788 -9.999 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.985 -9.898 -5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.033 -8.964 -3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.753 -10.658 -3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.523 -12.073 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.720 -11.780 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.173 -7.590 -4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.064 -7.781 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.000 -8.729 -4.087 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.315 -13.798 -2.438 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.226 -14.980 -1.600 1.00 0.00 C ATOM 1192 C PRO A 76 -2.758 -15.344 -1.359 1.00 0.00 C ATOM 1193 O PRO A 76 -2.126 -15.988 -2.193 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.992 -16.072 -2.352 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.829 -15.677 -3.818 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.796 -14.149 -3.768 1.00 0.00 C ATOM 0 HA PRO A 76 -4.657 -14.832 -0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.578 -17.061 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.041 -16.101 -2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.913 -16.086 -4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.656 -16.042 -4.427 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.138 -13.748 -4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.787 -13.732 -3.947 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.223 -14.945 -0.202 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.894 -15.339 0.247 1.00 0.00 C ATOM 1206 C GLY A 77 0.157 -14.295 -0.123 1.00 0.00 C ATOM 1207 O GLY A 77 1.170 -14.612 -0.741 1.00 0.00 O ATOM 0 H GLY A 77 -2.709 -14.333 0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.902 -15.481 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.628 -16.298 -0.199 1.00 0.00 H new ATOM 1211 N THR A 78 -0.077 -13.052 0.296 1.00 0.00 N ATOM 1212 CA THR A 78 0.900 -11.979 0.237 1.00 0.00 C ATOM 1213 C THR A 78 1.785 -12.040 1.489 1.00 0.00 C ATOM 1214 O THR A 78 1.345 -12.479 2.552 1.00 0.00 O ATOM 1215 CB THR A 78 0.181 -10.623 0.094 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.087 -9.566 0.318 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.000 -10.441 1.055 1.00 0.00 C ATOM 0 H THR A 78 -0.971 -12.763 0.693 1.00 0.00 H new ATOM 0 HA THR A 78 1.543 -12.095 -0.636 1.00 0.00 H new ATOM 0 HB THR A 78 -0.211 -10.610 -0.923 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.936 -9.763 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.453 -9.463 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.741 -11.219 0.872 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.646 -10.511 2.084 1.00 0.00 H new ATOM 1225 N LYS A 79 3.020 -11.541 1.375 1.00 0.00 N ATOM 1226 CA LYS A 79 3.913 -11.290 2.501 1.00 0.00 C ATOM 1227 C LYS A 79 3.515 -9.985 3.209 1.00 0.00 C ATOM 1228 O LYS A 79 4.183 -9.561 4.148 1.00 0.00 O ATOM 1229 CB LYS A 79 5.359 -11.279 1.976 1.00 0.00 C ATOM 1230 CG LYS A 79 6.494 -11.064 2.990 1.00 0.00 C ATOM 1231 CD LYS A 79 7.811 -10.888 2.223 1.00 0.00 C ATOM 1232 CE LYS A 79 8.977 -10.672 3.197 1.00 0.00 C ATOM 1233 NZ LYS A 79 10.229 -10.327 2.492 1.00 0.00 N ATOM 0 H LYS A 79 3.432 -11.296 0.475 1.00 0.00 H new ATOM 0 HA LYS A 79 3.834 -12.077 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.538 -12.228 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.434 -10.497 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.293 -10.185 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.562 -11.915 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.001 -11.768 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.733 -10.037 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.723 -9.875 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.130 -11.576 3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.991 -10.189 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.486 -11.098 1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.092 -9.450 1.950 1.00 0.00 H new ATOM 1247 N MET A 80 2.417 -9.343 2.804 1.00 0.00 N ATOM 1248 CA MET A 80 1.942 -8.146 3.468 1.00 0.00 C ATOM 1249 C MET A 80 1.584 -8.375 4.936 1.00 0.00 C ATOM 1250 O MET A 80 1.758 -7.491 5.768 1.00 0.00 O ATOM 1251 CB MET A 80 0.811 -7.525 2.656 1.00 0.00 C ATOM 1252 CG MET A 80 0.269 -6.257 3.309 1.00 0.00 C ATOM 1253 SD MET A 80 0.282 -4.800 2.244 1.00 0.00 S ATOM 1254 CE MET A 80 -1.400 -4.159 2.468 1.00 0.00 C ATOM 0 H MET A 80 1.844 -9.641 2.015 1.00 0.00 H new ATOM 0 HA MET A 80 2.761 -7.428 3.506 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.170 -7.292 1.654 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.004 -8.249 2.545 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.754 -6.442 3.638 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.857 -6.044 4.202 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.530 -3.259 1.867 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.122 -4.913 2.153 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.561 -3.919 3.519 1.00 0.00 H new ATOM 1264 N ILE A 81 1.087 -9.569 5.245 1.00 0.00 N ATOM 1265 CA ILE A 81 0.672 -9.978 6.581 1.00 0.00 C ATOM 1266 C ILE A 81 -0.242 -8.907 7.188 1.00 0.00 C ATOM 1267 O ILE A 81 0.111 -8.212 8.139 1.00 0.00 O ATOM 1268 CB ILE A 81 1.911 -10.280 7.444 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.897 -11.255 6.771 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.547 -10.810 8.840 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.406 -12.702 6.679 1.00 0.00 C ATOM 0 H ILE A 81 0.958 -10.302 4.548 1.00 0.00 H new ATOM 0 HA ILE A 81 0.092 -10.899 6.534 1.00 0.00 H new ATOM 0 HB ILE A 81 2.407 -9.316 7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.113 -10.895 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.836 -11.239 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.459 -11.006 9.404 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.947 -10.067 9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.976 -11.733 8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.165 -13.314 6.192 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.218 -13.087 7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.484 -12.737 6.099 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.436 -8.762 6.614 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.399 -7.766 7.044 1.00 0.00 C ATOM 1285 C PHE A 82 -3.797 -8.332 6.804 1.00 0.00 C ATOM 1286 O PHE A 82 -3.944 -9.271 6.019 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.120 -6.449 6.302 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.461 -5.217 7.105 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.757 -4.965 8.298 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.457 -4.321 6.679 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.125 -3.888 9.119 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -3.810 -3.231 7.490 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.177 -3.044 8.732 1.00 0.00 C ATOM 0 H PHE A 82 -1.757 -9.337 5.835 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.319 -7.538 8.107 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.066 -6.413 6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.691 -6.437 5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.932 -5.602 8.582 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.950 -4.471 5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.600 -3.709 10.046 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.568 -2.536 7.160 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.501 -2.250 9.388 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.810 -7.821 7.511 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.136 -8.427 7.550 1.00 0.00 C ATOM 1305 C ALA A 83 -7.128 -7.471 8.215 1.00 0.00 C ATOM 1306 O ALA A 83 -7.438 -7.622 9.395 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.062 -9.756 8.316 1.00 0.00 C ATOM 0 H ALA A 83 -4.729 -6.973 8.072 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.482 -8.623 6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.051 -10.213 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.368 -10.428 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.715 -9.571 9.333 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.633 -6.494 7.462 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.488 -5.457 8.019 1.00 0.00 C ATOM 1315 C GLY A 84 -7.659 -4.478 8.851 1.00 0.00 C ATOM 1316 O GLY A 84 -6.437 -4.598 8.921 1.00 0.00 O ATOM 0 H GLY A 84 -7.461 -6.403 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.995 -4.923 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.262 -5.908 8.640 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.319 -3.482 9.455 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.623 -2.396 10.137 1.00 0.00 C ATOM 1322 C ILE A 85 -8.510 -1.681 11.163 1.00 0.00 C ATOM 1323 O ILE A 85 -8.076 -1.468 12.294 1.00 0.00 O ATOM 1324 CB ILE A 85 -6.996 -1.449 9.098 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -6.238 -0.323 9.808 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -8.014 -0.897 8.087 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.179 0.307 8.901 1.00 0.00 C ATOM 0 H ILE A 85 -9.336 -3.410 9.482 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.811 -2.818 10.729 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.292 -2.036 8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.943 0.443 10.131 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.761 -0.716 10.706 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.507 -0.237 7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.472 -1.724 7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.786 -0.339 8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.663 1.101 9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.459 -0.454 8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.659 0.723 8.015 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.737 -1.295 10.790 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.653 -0.589 11.667 1.00 0.00 C ATOM 1341 C LYS A 86 -12.094 -0.998 11.358 1.00 0.00 C ATOM 1342 O LYS A 86 -12.749 -1.639 12.175 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.425 0.925 11.514 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.307 1.702 12.492 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.803 3.127 12.776 1.00 0.00 C ATOM 1346 CE LYS A 86 -11.217 4.108 11.669 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.426 5.359 11.692 1.00 0.00 N ATOM 0 H LYS A 86 -10.116 -1.470 9.860 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.466 -0.853 12.708 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.376 1.161 11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.649 1.231 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.319 1.757 12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.365 1.152 13.431 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.199 3.469 13.732 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.717 3.117 12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.099 3.626 10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.274 4.349 11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.871 6.062 11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.391 5.730 12.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.459 5.165 11.361 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.596 -0.602 10.185 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.955 -0.898 9.744 1.00 0.00 C ATOM 1363 C LYS A 87 -14.094 -0.511 8.273 1.00 0.00 C ATOM 1364 O LYS A 87 -14.393 -1.348 7.429 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.982 -0.142 10.618 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.441 -0.389 10.199 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.925 -1.814 10.523 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.922 -1.852 11.691 1.00 0.00 C ATOM 1369 NZ LYS A 87 -17.313 -1.422 12.967 1.00 0.00 N ATOM 0 H LYS A 87 -12.059 -0.059 9.508 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.154 -1.964 9.852 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.855 -0.443 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.773 0.927 10.568 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.085 0.331 10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.541 -0.212 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.393 -2.244 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.065 -2.439 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.771 -1.208 11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.311 -2.864 11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.025 -1.465 13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.519 -2.052 13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.965 -0.446 12.874 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.911 0.780 7.987 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.093 1.358 6.663 1.00 0.00 C ATOM 1385 C LYS A 88 -13.298 2.656 6.595 1.00 0.00 C ATOM 1386 O LYS A 88 -12.424 2.790 5.747 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.595 1.554 6.378 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.915 2.150 4.995 1.00 0.00 C ATOM 1389 CD LYS A 88 -15.984 3.688 5.014 1.00 0.00 C ATOM 1390 CE LYS A 88 -16.320 4.290 3.644 1.00 0.00 C ATOM 1391 NZ LYS A 88 -17.736 4.141 3.256 1.00 0.00 N ATOM 0 H LYS A 88 -13.626 1.464 8.688 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.718 0.692 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.097 0.591 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.015 2.205 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.154 1.833 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.867 1.752 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.736 4.003 5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.028 4.085 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.065 5.350 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.694 3.817 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.887 4.571 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.981 3.131 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.340 4.616 3.957 1.00 0.00 H new ATOM 1405 N THR A 89 -13.586 3.600 7.496 1.00 0.00 N ATOM 1406 CA THR A 89 -13.015 4.942 7.532 1.00 0.00 C ATOM 1407 C THR A 89 -11.509 4.970 7.256 1.00 0.00 C ATOM 1408 O THR A 89 -11.042 5.808 6.488 1.00 0.00 O ATOM 1409 CB THR A 89 -13.341 5.532 8.907 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.674 5.196 9.242 1.00 0.00 O ATOM 1411 CG2 THR A 89 -13.131 7.046 8.979 1.00 0.00 C ATOM 0 H THR A 89 -14.253 3.439 8.251 1.00 0.00 H new ATOM 0 HA THR A 89 -13.453 5.538 6.732 1.00 0.00 H new ATOM 0 HB THR A 89 -12.646 5.102 9.628 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.894 5.567 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.380 7.401 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.089 7.280 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.774 7.538 8.249 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.757 4.036 7.851 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.320 3.962 7.658 1.00 0.00 C ATOM 1421 C GLU A 90 -8.971 3.837 6.172 1.00 0.00 C ATOM 1422 O GLU A 90 -8.060 4.502 5.697 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.724 2.798 8.461 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.368 3.183 9.071 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.417 3.316 10.587 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -8.278 4.085 11.061 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.581 2.681 11.267 1.00 0.00 O ATOM 0 H GLU A 90 -11.132 3.320 8.473 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.881 4.889 8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.414 2.509 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.601 1.930 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.627 2.431 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.036 4.127 8.639 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.715 3.019 5.418 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.491 2.849 3.985 1.00 0.00 C ATOM 1436 C ARG A 91 -9.676 4.173 3.238 1.00 0.00 C ATOM 1437 O ARG A 91 -9.219 4.318 2.115 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.389 1.730 3.413 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.647 2.241 2.689 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.565 1.089 2.269 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.615 1.590 1.369 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.493 0.828 0.698 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.534 -0.493 0.908 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.316 1.402 -0.186 1.00 0.00 N ATOM 0 H ARG A 91 -10.485 2.460 5.786 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.457 2.539 3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.803 1.128 2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.694 1.072 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.192 2.921 3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.353 2.812 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.985 0.313 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.016 0.632 3.150 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.681 2.600 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.897 -0.923 1.579 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.202 -1.070 0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.272 2.409 -0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.987 0.833 -0.702 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.388 5.127 3.831 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.723 6.385 3.211 1.00 0.00 C ATOM 1460 C GLU A 92 -9.668 7.438 3.559 1.00 0.00 C ATOM 1461 O GLU A 92 -9.468 8.399 2.821 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.123 6.778 3.710 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.878 7.429 2.555 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.413 6.372 1.591 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.260 5.566 2.038 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.953 6.373 0.433 1.00 0.00 O ATOM 0 H GLU A 92 -10.752 5.035 4.779 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.735 6.306 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.660 5.899 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.047 7.468 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.704 8.024 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.217 8.112 2.022 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.076 7.311 4.742 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.001 8.144 5.272 1.00 0.00 C ATOM 1475 C ASP A 93 -6.711 7.784 4.526 1.00 0.00 C ATOM 1476 O ASP A 93 -6.111 8.594 3.820 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.860 7.893 6.792 1.00 0.00 C ATOM 1478 CG ASP A 93 -9.002 8.420 7.656 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -9.338 9.611 7.479 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.495 7.646 8.509 1.00 0.00 O ATOM 0 H ASP A 93 -9.351 6.579 5.397 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.216 9.203 5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.768 6.820 6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.930 8.349 7.133 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.301 6.525 4.660 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.122 5.935 4.031 1.00 0.00 C ATOM 1487 C LEU A 94 -5.025 6.298 2.551 1.00 0.00 C ATOM 1488 O LEU A 94 -4.014 6.819 2.076 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.233 4.410 4.170 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.727 3.850 5.510 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.260 3.493 5.331 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.848 4.770 6.728 1.00 0.00 C ATOM 0 H LEU A 94 -6.807 5.855 5.239 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.228 6.320 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.276 4.122 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.671 3.943 3.361 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.374 3.002 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.867 3.091 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.161 2.745 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.699 4.386 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.458 4.260 7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.277 5.682 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.896 5.024 6.890 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.098 6.018 1.815 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.125 6.150 0.369 1.00 0.00 C ATOM 1506 C ILE A 95 -6.209 7.629 -0.025 1.00 0.00 C ATOM 1507 O ILE A 95 -6.049 7.960 -1.198 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.272 5.278 -0.180 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.127 3.807 0.275 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.404 5.338 -1.710 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.866 3.113 -0.219 1.00 0.00 C ATOM 0 H ILE A 95 -6.978 5.691 2.213 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.203 5.785 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.186 5.699 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.141 3.774 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.995 3.246 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.230 4.702 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.597 6.365 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.479 4.989 -2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.848 2.087 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.856 3.109 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.989 3.646 0.150 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.399 8.531 0.946 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.384 9.959 0.699 1.00 0.00 C ATOM 1525 C ALA A 96 -4.938 10.418 0.848 1.00 0.00 C ATOM 1526 O ALA A 96 -4.412 11.102 -0.026 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.352 10.662 1.653 1.00 0.00 C ATOM 0 H ALA A 96 -6.566 8.281 1.921 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.728 10.212 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.336 11.735 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.361 10.280 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.050 10.472 2.683 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.263 9.972 1.915 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.836 10.217 2.055 1.00 0.00 C ATOM 1535 C TYR A 97 -2.057 9.734 0.838 1.00 0.00 C ATOM 1536 O TYR A 97 -1.320 10.514 0.241 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.260 9.580 3.321 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.733 9.573 3.374 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.009 10.666 2.877 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.043 8.457 3.878 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.413 10.680 2.955 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.359 8.468 3.943 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.090 9.572 3.485 1.00 0.00 C ATOM 1544 OH TYR A 97 3.449 9.547 3.559 1.00 0.00 O ATOM 0 H TYR A 97 -4.683 9.446 2.682 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.724 11.298 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.641 10.116 4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.621 8.554 3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.508 11.503 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.592 7.590 4.216 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.967 11.540 2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.881 7.615 4.351 1.00 0.00 H new ATOM 0 HH TYR A 97 3.739 8.699 3.955 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.152 8.454 0.481 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.262 7.919 -0.549 1.00 0.00 C ATOM 1556 C LEU A 98 -1.464 8.602 -1.904 1.00 0.00 C ATOM 1557 O LEU A 98 -0.545 8.657 -2.729 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.379 6.398 -0.639 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.000 5.718 0.684 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.179 4.208 0.521 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.436 6.030 1.133 1.00 0.00 C ATOM 0 H LEU A 98 -2.814 7.786 0.875 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.240 8.148 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.400 6.127 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.732 6.030 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.656 6.110 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.914 3.708 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.218 3.989 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.533 3.849 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.642 5.520 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.138 5.686 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.549 7.105 1.271 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.655 9.171 -2.109 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.968 9.905 -3.331 1.00 0.00 C ATOM 1575 C LYS A 99 -2.150 11.198 -3.452 1.00 0.00 C ATOM 1576 O LYS A 99 -2.069 11.771 -4.538 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.480 10.154 -3.423 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.167 9.040 -4.212 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.673 9.269 -4.405 1.00 0.00 C ATOM 1580 CE LYS A 99 -6.979 10.494 -5.281 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.401 10.546 -5.674 1.00 0.00 N ATOM 0 H LYS A 99 -3.421 9.135 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.678 9.292 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.905 10.211 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.666 11.114 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.692 8.951 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.014 8.092 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.116 8.383 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.145 9.397 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.718 11.403 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.356 10.466 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.473 10.773 -6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.845 9.623 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.888 11.279 -5.119 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.516 11.635 -2.361 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.567 12.728 -2.331 1.00 0.00 C ATOM 1597 C LYS A 100 0.853 12.200 -2.106 1.00 0.00 C ATOM 1598 O LYS A 100 1.780 12.760 -2.668 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.012 13.834 -1.359 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.639 13.657 0.124 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.023 14.967 0.637 1.00 0.00 C ATOM 1602 CE LYS A 100 0.690 14.801 1.985 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.585 15.947 2.251 1.00 0.00 N ATOM 0 H LYS A 100 -1.662 11.214 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.544 13.217 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.589 14.777 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.096 13.927 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.523 13.401 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.068 12.836 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.687 15.343 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.807 15.718 0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.047 14.717 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.267 13.876 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.431 15.616 2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.869 16.382 1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.086 16.650 2.833 1.00 0.00 H new ATOM 1617 N ALA A 101 1.041 11.122 -1.322 1.00 0.00 N ATOM 1618 CA ALA A 101 2.352 10.540 -1.027 1.00 0.00 C ATOM 1619 C ALA A 101 3.116 10.235 -2.307 1.00 0.00 C ATOM 1620 O ALA A 101 4.296 10.547 -2.445 1.00 0.00 O ATOM 1621 CB ALA A 101 2.213 9.256 -0.207 1.00 0.00 C ATOM 0 H ALA A 101 0.271 10.628 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 101 2.907 11.277 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.202 8.846 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.711 9.478 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.627 8.528 -0.768 1.00 0.00 H new ATOM 1627 N THR A 102 2.408 9.632 -3.259 1.00 0.00 N ATOM 1628 CA THR A 102 2.952 9.298 -4.565 1.00 0.00 C ATOM 1629 C THR A 102 3.528 10.515 -5.302 1.00 0.00 C ATOM 1630 O THR A 102 4.307 10.350 -6.238 1.00 0.00 O ATOM 1631 CB THR A 102 1.853 8.606 -5.373 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.624 9.304 -5.251 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.671 7.181 -4.846 1.00 0.00 C ATOM 0 H THR A 102 1.432 9.361 -3.141 1.00 0.00 H new ATOM 0 HA THR A 102 3.799 8.625 -4.435 1.00 0.00 H new ATOM 0 HB THR A 102 2.145 8.592 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.143 8.983 -4.460 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.889 6.679 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.606 6.632 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.388 7.216 -3.794 1.00 0.00 H new ATOM 1641 N ASN A 103 3.136 11.720 -4.886 1.00 0.00 N ATOM 1642 CA ASN A 103 3.583 13.004 -5.403 1.00 0.00 C ATOM 1643 C ASN A 103 3.981 13.964 -4.270 1.00 0.00 C ATOM 1644 O ASN A 103 3.821 15.175 -4.410 1.00 0.00 O ATOM 1645 CB ASN A 103 2.495 13.576 -6.326 1.00 0.00 C ATOM 1646 CG ASN A 103 1.098 13.622 -5.699 1.00 0.00 C ATOM 1647 OD1 ASN A 103 0.623 14.674 -5.283 1.00 0.00 O ATOM 1648 ND2 ASN A 103 0.400 12.485 -5.672 1.00 0.00 N ATOM 0 H ASN A 103 2.456 11.827 -4.133 1.00 0.00 H new ATOM 0 HA ASN A 103 4.490 12.868 -5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.781 14.585 -6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.453 12.976 -7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.550 12.478 -5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.816 11.623 -6.024 1.00 0.00 H new ATOM 1655 N GLU A 104 4.548 13.426 -3.182 1.00 0.00 N ATOM 1656 CA GLU A 104 5.210 14.201 -2.132 1.00 0.00 C ATOM 1657 C GLU A 104 6.679 14.403 -2.514 1.00 0.00 C ATOM 1658 O GLU A 104 7.293 15.415 -2.117 1.00 0.00 O ATOM 1659 CB GLU A 104 5.129 13.457 -0.786 1.00 0.00 C ATOM 1660 CG GLU A 104 3.825 13.660 -0.011 1.00 0.00 C ATOM 1661 CD GLU A 104 3.743 14.961 0.763 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.195 15.942 0.216 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.927 14.924 2.001 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.293 13.500 -3.124 1.00 0.00 O ATOM 0 H GLU A 104 4.558 12.421 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 104 4.712 15.165 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.263 12.391 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.960 13.780 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.991 13.617 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.699 12.831 0.685 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.944 -3.111 2.614 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.819 -4.260 -0.616 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.115 -0.597 1.301 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.037 -2.324 5.825 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.117 -5.540 3.915 1.00 0.00 C HETATM 1677 NA HEC A 105 1.497 -2.565 0.679 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.975 -3.152 -0.478 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.515 -2.349 -1.585 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.700 -1.363 -1.064 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.747 -1.466 0.384 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.161 -0.422 -1.870 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.902 -2.532 -3.040 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.398 -2.354 -3.352 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.647 -2.075 -4.830 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.268 -2.947 -5.641 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.204 -0.997 -5.133 1.00 0.00 O HETATM 1688 NB HEC A 105 0.798 -1.712 3.423 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.154 -0.763 2.702 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.479 0.116 3.658 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.308 -0.420 4.921 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.556 -1.560 4.763 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.083 1.447 3.316 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.960 -0.001 6.233 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.483 -0.033 6.170 1.00 0.00 C HETATM 1696 NC HEC A 105 2.468 -3.813 4.515 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.965 -3.327 5.667 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.594 -4.012 6.766 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.542 -4.846 6.224 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.388 -4.770 4.793 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.301 -3.773 8.225 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.713 -5.500 6.930 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.342 -6.692 7.812 1.00 0.00 C HETATM 1704 ND HEC A 105 3.236 -4.632 1.795 1.00 0.00 N HETATM 1705 C1D HEC A 105 4.011 -5.464 2.538 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.710 -6.349 1.642 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.356 -5.995 0.368 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.405 -4.908 0.467 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.664 -7.457 2.014 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.876 -6.669 -0.876 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.906 -7.714 -1.439 1.00 0.00 C HETATM 1712 CGD HEC A 105 4.316 -9.155 -1.131 1.00 0.00 C HETATM 1713 O1D HEC A 105 5.523 -9.462 -1.238 1.00 0.00 O HETATM 1714 O2D HEC A 105 3.414 -9.966 -0.837 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.507 -7.041 2.565 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.148 -8.188 2.637 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 6.027 -7.944 1.109 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.519 -2.735 8.474 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.250 -3.981 8.424 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.922 -4.430 8.833 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.316 2.097 2.896 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.880 1.308 2.586 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.492 1.903 4.217 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.468 0.163 -2.541 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.879 -0.997 -2.455 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.695 0.249 -1.197 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.912 -7.532 -1.031 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.835 -7.588 -2.519 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.648 -6.369 8.587 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.871 -7.463 7.202 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.242 -7.095 8.276 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.829 0.648 5.393 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.816 -1.045 5.940 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.893 0.275 7.132 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.797 -1.533 -2.756 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.939 -3.253 -3.057 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.071 -5.914 -1.638 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.829 -7.149 -0.652 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.598 -3.530 -3.356 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.336 -1.821 -3.641 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.824 -6.257 4.332 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.660 -2.117 6.827 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.437 0.254 0.902 1.00 0.00 H new HETATM 0 HHA HEC A 105 3.027 -4.633 -1.619 1.00 0.00 H new HETATM 0 H2D HEC A 105 3.378 -10.675 -1.513 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.515 -1.039 -6.061 1.00 0.00 H new