USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=23 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 52 ASN : amide:sc= -0.825 X(o=0.21,f=0.56) USER MOD Set 1.2: A 67 TYR OH : rot -125:sc= 1.28 USER MOD Set 1.3: A 78 THR OG1 : rot -170:sc= -0.142 USER MOD Set 1.4: A 105 HEC O2D : rot 177:sc= -0.107 USER MOD Single : A 1 GLY N :NH3+ -162:sc= -1.33 (180deg=-1.88!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0794) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -36:sc= 1.02 USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0112) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.198 K(o=-0.2,f=-3.2!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -116:sc= 1.48 USER MOD Single : A 42 GLN : amide:sc= -0.0635 K(o=-0.064,f=-0.75) USER MOD Single : A 47 THR OG1 : rot 108:sc= 0.317 USER MOD Single : A 48 TYR OH : rot -90:sc= 0.194 USER MOD Single : A 49 THR OG1 : rot 47:sc= 0.0353 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0618 X(o=-0.062,f=-0.068) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 0.205 (180deg=0.171) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 80:sc= -0.0133 USER MOD Single : A 65 MET CE :methyl -163:sc= -0.0142 (180deg=-0.271) USER MOD Single : A 70 ASN : amide:sc= -0.944 K(o=-0.94,f=-2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.535 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.645 (180deg=-0.645) USER MOD Single : A 86 LYS NZ :NH3+ 150:sc=-0.00261 (180deg=-0.783) 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=-0.00479 USER MOD Single : A 97 TYR OH : rot 166:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= -0.0195 (180deg=-0.181) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -39:sc= 1.11 USER MOD Single : A 103 ASN : amide:sc= 0.395 K(o=0.4,f=-1.5!) USER MOD Single : A 105 HEC O2A : rot 177:sc=-0.00292 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.422 10.038 3.028 1.00 0.00 N ATOM 2 CA GLY A 1 -10.896 10.645 4.236 1.00 0.00 C ATOM 3 C GLY A 1 -9.782 11.558 3.762 1.00 0.00 C ATOM 4 O GLY A 1 -9.792 11.918 2.583 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.365 9.643 3.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.494 10.758 2.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.785 9.277 2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.667 11.205 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.521 9.890 4.926 1.00 0.00 H new ATOM 10 N ASP A 2 -8.848 11.891 4.637 1.00 0.00 N ATOM 11 CA ASP A 2 -7.853 12.928 4.416 1.00 0.00 C ATOM 12 C ASP A 2 -6.442 12.382 4.543 1.00 0.00 C ATOM 13 O ASP A 2 -6.181 11.366 5.179 1.00 0.00 O ATOM 14 CB ASP A 2 -8.078 14.097 5.382 1.00 0.00 C ATOM 15 CG ASP A 2 -8.980 15.141 4.747 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.180 14.835 4.586 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.430 16.208 4.399 1.00 0.00 O ATOM 0 H ASP A 2 -8.758 11.436 5.545 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.969 13.294 3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.527 13.733 6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.121 14.547 5.648 1.00 0.00 H new ATOM 22 N VAL A 3 -5.510 13.117 3.941 1.00 0.00 N ATOM 23 CA VAL A 3 -4.096 12.800 3.965 1.00 0.00 C ATOM 24 C VAL A 3 -3.535 13.017 5.366 1.00 0.00 C ATOM 25 O VAL A 3 -2.671 12.264 5.802 1.00 0.00 O ATOM 26 CB VAL A 3 -3.347 13.590 2.877 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.659 15.094 2.858 1.00 0.00 C ATOM 28 CG2 VAL A 3 -1.829 13.413 2.992 1.00 0.00 C ATOM 0 H VAL A 3 -5.727 13.964 3.415 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.950 11.746 3.729 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.712 13.165 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.090 15.574 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.724 15.242 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.385 15.535 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.335 13.986 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.494 13.769 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.577 12.358 2.885 1.00 0.00 H new ATOM 38 N GLU A 4 -4.044 14.023 6.078 1.00 0.00 N ATOM 39 CA GLU A 4 -3.580 14.371 7.408 1.00 0.00 C ATOM 40 C GLU A 4 -3.714 13.168 8.331 1.00 0.00 C ATOM 41 O GLU A 4 -2.743 12.735 8.951 1.00 0.00 O ATOM 42 CB GLU A 4 -4.376 15.576 7.930 1.00 0.00 C ATOM 43 CG GLU A 4 -3.907 16.874 7.259 1.00 0.00 C ATOM 44 CD GLU A 4 -2.553 17.314 7.809 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.567 18.030 8.831 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.528 16.890 7.230 1.00 0.00 O ATOM 0 H GLU A 4 -4.797 14.621 5.738 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.527 14.650 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.438 15.426 7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.256 15.656 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.835 16.726 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.644 17.660 7.424 1.00 0.00 H new ATOM 53 N LYS A 5 -4.924 12.610 8.395 1.00 0.00 N ATOM 54 CA LYS A 5 -5.150 11.427 9.202 1.00 0.00 C ATOM 55 C LYS A 5 -4.651 10.171 8.498 1.00 0.00 C ATOM 56 O LYS A 5 -4.110 9.300 9.173 1.00 0.00 O ATOM 57 CB LYS A 5 -6.603 11.348 9.695 1.00 0.00 C ATOM 58 CG LYS A 5 -6.769 12.284 10.910 1.00 0.00 C ATOM 59 CD LYS A 5 -7.785 11.771 11.942 1.00 0.00 C ATOM 60 CE LYS A 5 -9.197 12.292 11.663 1.00 0.00 C ATOM 61 NZ LYS A 5 -10.159 11.810 12.675 1.00 0.00 N ATOM 0 H LYS A 5 -5.747 12.958 7.903 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.549 11.504 10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.288 11.639 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.852 10.324 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.802 12.411 11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.082 13.268 10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.792 10.681 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.475 12.080 12.940 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.190 13.382 11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.516 11.969 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.106 12.180 12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.183 10.770 12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.866 12.139 13.617 1.00 0.00 H new ATOM 75 N GLY A 6 -4.753 10.079 7.170 1.00 0.00 N ATOM 76 CA GLY A 6 -4.283 8.894 6.463 1.00 0.00 C ATOM 77 C GLY A 6 -2.810 8.655 6.767 1.00 0.00 C ATOM 78 O GLY A 6 -2.445 7.568 7.201 1.00 0.00 O ATOM 0 H GLY A 6 -5.152 10.803 6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.870 8.026 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.425 9.021 5.390 1.00 0.00 H new ATOM 82 N LYS A 7 -1.968 9.678 6.592 1.00 0.00 N ATOM 83 CA LYS A 7 -0.534 9.557 6.798 1.00 0.00 C ATOM 84 C LYS A 7 -0.183 9.237 8.242 1.00 0.00 C ATOM 85 O LYS A 7 0.703 8.426 8.495 1.00 0.00 O ATOM 86 CB LYS A 7 0.230 10.731 6.175 1.00 0.00 C ATOM 87 CG LYS A 7 0.241 11.970 7.053 1.00 0.00 C ATOM 88 CD LYS A 7 0.469 13.210 6.174 1.00 0.00 C ATOM 89 CE LYS A 7 0.477 14.538 6.945 1.00 0.00 C ATOM 90 NZ LYS A 7 1.832 14.938 7.371 1.00 0.00 N ATOM 0 H LYS A 7 -2.268 10.609 6.304 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.182 8.684 6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.257 10.424 5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.219 10.979 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.704 12.059 7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.028 11.892 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.419 13.101 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.310 13.250 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.051 15.321 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.164 14.449 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.782 15.840 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.231 14.206 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.440 15.051 6.535 1.00 0.00 H new ATOM 104 N LYS A 8 -0.912 9.824 9.188 1.00 0.00 N ATOM 105 CA LYS A 8 -0.658 9.601 10.599 1.00 0.00 C ATOM 106 C LYS A 8 -0.950 8.147 10.936 1.00 0.00 C ATOM 107 O LYS A 8 -0.112 7.460 11.518 1.00 0.00 O ATOM 108 CB LYS A 8 -1.514 10.550 11.456 1.00 0.00 C ATOM 109 CG LYS A 8 -0.720 11.767 11.952 1.00 0.00 C ATOM 110 CD LYS A 8 -0.132 11.553 13.360 1.00 0.00 C ATOM 111 CE LYS A 8 0.818 10.347 13.448 1.00 0.00 C ATOM 112 NZ LYS A 8 1.417 10.199 14.790 1.00 0.00 N ATOM 0 H LYS A 8 -1.686 10.460 8.996 1.00 0.00 H new ATOM 0 HA LYS A 8 0.389 9.811 10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.369 10.891 10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.910 10.004 12.312 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.088 11.979 11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.370 12.642 11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.405 12.452 13.662 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.948 11.416 14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.272 9.438 13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.612 10.458 12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.049 9.373 14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.961 11.054 15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.663 10.066 15.494 1.00 0.00 H new ATOM 126 N ILE A 9 -2.151 7.690 10.592 1.00 0.00 N ATOM 127 CA ILE A 9 -2.614 6.372 10.977 1.00 0.00 C ATOM 128 C ILE A 9 -1.777 5.337 10.239 1.00 0.00 C ATOM 129 O ILE A 9 -1.335 4.354 10.833 1.00 0.00 O ATOM 130 CB ILE A 9 -4.115 6.294 10.664 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.901 6.953 11.811 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.607 4.856 10.489 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.192 7.607 11.319 1.00 0.00 C ATOM 0 H ILE A 9 -2.823 8.224 10.041 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.493 6.173 12.042 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.279 6.815 9.721 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.139 6.203 12.565 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.276 7.704 12.294 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.675 4.861 10.269 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.069 4.385 9.666 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.428 4.296 11.407 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.715 8.060 12.162 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.953 8.376 10.585 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.830 6.852 10.859 1.00 0.00 H new ATOM 145 N PHE A 10 -1.548 5.582 8.948 1.00 0.00 N ATOM 146 CA PHE A 10 -0.642 4.791 8.147 1.00 0.00 C ATOM 147 C PHE A 10 0.681 4.646 8.882 1.00 0.00 C ATOM 148 O PHE A 10 1.026 3.556 9.315 1.00 0.00 O ATOM 149 CB PHE A 10 -0.456 5.463 6.779 1.00 0.00 C ATOM 150 CG PHE A 10 0.720 4.971 5.969 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.595 3.847 5.151 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.984 5.548 6.158 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.738 3.278 4.568 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.129 4.976 5.601 1.00 0.00 C ATOM 155 CZ PHE A 10 2.999 3.858 4.765 1.00 0.00 C ATOM 0 H PHE A 10 -1.994 6.342 8.435 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.050 3.794 7.982 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.364 5.316 6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.346 6.536 6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.378 3.416 4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.073 6.450 6.745 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.645 2.388 3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.104 5.390 5.812 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.868 3.445 4.274 1.00 0.00 H new ATOM 165 N VAL A 11 1.413 5.743 9.070 1.00 0.00 N ATOM 166 CA VAL A 11 2.721 5.691 9.679 1.00 0.00 C ATOM 167 C VAL A 11 2.647 4.958 11.023 1.00 0.00 C ATOM 168 O VAL A 11 3.538 4.182 11.355 1.00 0.00 O ATOM 169 CB VAL A 11 3.328 7.106 9.757 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.411 7.192 10.827 1.00 0.00 C ATOM 171 CG2 VAL A 11 3.920 7.579 8.422 1.00 0.00 C ATOM 0 H VAL A 11 1.111 6.680 8.804 1.00 0.00 H new ATOM 0 HA VAL A 11 3.406 5.110 9.061 1.00 0.00 H new ATOM 0 HB VAL A 11 2.496 7.761 10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.816 8.203 10.854 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.983 6.947 11.799 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.209 6.487 10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.332 8.581 8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.711 6.896 8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.138 7.596 7.663 1.00 0.00 H new ATOM 181 N GLN A 12 1.564 5.156 11.777 1.00 0.00 N ATOM 182 CA GLN A 12 1.361 4.447 13.024 1.00 0.00 C ATOM 183 C GLN A 12 1.418 2.919 12.851 1.00 0.00 C ATOM 184 O GLN A 12 1.998 2.260 13.711 1.00 0.00 O ATOM 185 CB GLN A 12 0.049 4.900 13.676 1.00 0.00 C ATOM 186 CG GLN A 12 0.115 4.812 15.202 1.00 0.00 C ATOM 187 CD GLN A 12 -1.240 5.147 15.810 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.668 6.297 15.789 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.936 4.150 16.350 1.00 0.00 N ATOM 0 H GLN A 12 0.816 5.806 11.537 1.00 0.00 H new ATOM 0 HA GLN A 12 2.186 4.700 13.690 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.169 5.926 13.380 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.771 4.282 13.311 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.418 3.809 15.502 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.871 5.500 15.580 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.554 3.204 16.353 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.852 4.331 16.761 1.00 0.00 H new ATOM 198 N LYS A 13 0.765 2.341 11.825 1.00 0.00 N ATOM 199 CA LYS A 13 0.598 0.878 11.724 1.00 0.00 C ATOM 200 C LYS A 13 1.083 0.255 10.406 1.00 0.00 C ATOM 201 O LYS A 13 0.838 -0.929 10.174 1.00 0.00 O ATOM 202 CB LYS A 13 -0.865 0.474 11.976 1.00 0.00 C ATOM 203 CG LYS A 13 -1.485 1.166 13.200 1.00 0.00 C ATOM 204 CD LYS A 13 -2.663 2.071 12.815 1.00 0.00 C ATOM 205 CE LYS A 13 -4.011 1.345 12.900 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.423 1.086 14.294 1.00 0.00 N ATOM 0 H LYS A 13 0.345 2.863 11.056 1.00 0.00 H new ATOM 0 HA LYS A 13 1.247 0.476 12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.458 0.713 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.918 -0.606 12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.825 0.411 13.909 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.723 1.759 13.706 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.680 2.940 13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.516 2.441 11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.775 1.943 12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.946 0.400 12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.423 0.799 14.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.837 0.325 14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.300 1.951 14.859 1.00 0.00 H new ATOM 220 N CYS A 14 1.751 1.023 9.546 1.00 0.00 N ATOM 221 CA CYS A 14 2.180 0.595 8.219 1.00 0.00 C ATOM 222 C CYS A 14 3.683 0.844 8.092 1.00 0.00 C ATOM 223 O CYS A 14 4.411 -0.033 7.640 1.00 0.00 O ATOM 224 CB CYS A 14 1.452 1.343 7.128 1.00 0.00 C ATOM 225 SG CYS A 14 -0.371 1.357 7.202 1.00 0.00 S ATOM 0 H CYS A 14 2.015 1.985 9.760 1.00 0.00 H new ATOM 0 HA CYS A 14 1.950 -0.464 8.103 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.799 2.376 7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.748 0.916 6.170 1.00 0.00 H new ATOM 230 N ALA A 15 4.162 2.030 8.498 1.00 0.00 N ATOM 231 CA ALA A 15 5.554 2.459 8.326 1.00 0.00 C ATOM 232 C ALA A 15 6.591 1.510 8.900 1.00 0.00 C ATOM 233 O ALA A 15 7.721 1.500 8.414 1.00 0.00 O ATOM 234 CB ALA A 15 5.791 3.823 8.945 1.00 0.00 C ATOM 0 H ALA A 15 3.581 2.728 8.963 1.00 0.00 H new ATOM 0 HA ALA A 15 5.685 2.481 7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.832 4.112 8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.141 4.557 8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.571 3.782 10.012 1.00 0.00 H new ATOM 240 N GLN A 16 6.222 0.750 9.934 1.00 0.00 N ATOM 241 CA GLN A 16 7.057 -0.318 10.470 1.00 0.00 C ATOM 242 C GLN A 16 7.635 -1.165 9.329 1.00 0.00 C ATOM 243 O GLN A 16 8.797 -1.556 9.372 1.00 0.00 O ATOM 244 CB GLN A 16 6.241 -1.189 11.444 1.00 0.00 C ATOM 245 CG GLN A 16 7.026 -1.435 12.735 1.00 0.00 C ATOM 246 CD GLN A 16 6.344 -2.479 13.612 1.00 0.00 C ATOM 247 OE1 GLN A 16 5.680 -2.147 14.589 1.00 0.00 O ATOM 248 NE2 GLN A 16 6.505 -3.755 13.273 1.00 0.00 N ATOM 0 H GLN A 16 5.333 0.861 10.421 1.00 0.00 H new ATOM 0 HA GLN A 16 7.889 0.123 11.019 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.296 -0.698 11.675 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.998 -2.141 10.973 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.035 -1.766 12.491 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.122 -0.500 13.288 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.063 -3.999 12.455 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.070 -4.490 13.831 1.00 0.00 H new ATOM 257 N CYS A 17 6.800 -1.423 8.317 1.00 0.00 N ATOM 258 CA CYS A 17 7.164 -2.077 7.076 1.00 0.00 C ATOM 259 C CYS A 17 7.474 -1.038 5.977 1.00 0.00 C ATOM 260 O CYS A 17 8.434 -1.219 5.232 1.00 0.00 O ATOM 261 CB CYS A 17 6.066 -3.036 6.675 1.00 0.00 C ATOM 262 SG CYS A 17 5.858 -4.390 7.885 1.00 0.00 S ATOM 0 H CYS A 17 5.813 -1.167 8.351 1.00 0.00 H new ATOM 0 HA CYS A 17 8.078 -2.654 7.218 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.127 -2.491 6.577 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.293 -3.457 5.696 1.00 0.00 H new ATOM 267 N HIS A 18 6.687 0.044 5.856 1.00 0.00 N ATOM 268 CA HIS A 18 6.674 0.941 4.696 1.00 0.00 C ATOM 269 C HIS A 18 7.006 2.387 5.062 1.00 0.00 C ATOM 270 O HIS A 18 6.118 3.237 5.064 1.00 0.00 O ATOM 271 CB HIS A 18 5.267 0.949 4.093 1.00 0.00 C ATOM 272 CG HIS A 18 4.849 -0.331 3.453 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.091 -0.655 2.142 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.847 -1.137 3.915 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.270 -1.665 1.830 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.490 -1.993 2.870 1.00 0.00 N ATOM 0 H HIS A 18 6.027 0.323 6.582 1.00 0.00 H new ATOM 0 HA HIS A 18 7.429 0.571 4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.553 1.195 4.879 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.211 1.745 3.350 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.768 -0.210 1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.412 -1.116 4.903 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.240 -2.152 0.867 1.00 0.00 H new ATOM 284 N THR A 19 8.255 2.724 5.365 1.00 0.00 N ATOM 285 CA THR A 19 8.587 4.066 5.831 1.00 0.00 C ATOM 286 C THR A 19 8.645 5.104 4.684 1.00 0.00 C ATOM 287 O THR A 19 9.679 5.734 4.453 1.00 0.00 O ATOM 288 CB THR A 19 9.898 3.961 6.617 1.00 0.00 C ATOM 289 OG1 THR A 19 9.953 2.758 7.364 1.00 0.00 O ATOM 290 CG2 THR A 19 10.125 5.151 7.553 1.00 0.00 C ATOM 0 H THR A 19 9.051 2.090 5.297 1.00 0.00 H new ATOM 0 HA THR A 19 7.797 4.443 6.481 1.00 0.00 H new ATOM 0 HB THR A 19 10.694 3.965 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.059 2.542 7.702 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.069 5.022 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.159 6.071 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.309 5.208 8.273 1.00 0.00 H new ATOM 298 N VAL A 20 7.534 5.327 3.971 1.00 0.00 N ATOM 299 CA VAL A 20 7.406 6.265 2.865 1.00 0.00 C ATOM 300 C VAL A 20 7.290 7.719 3.366 1.00 0.00 C ATOM 301 O VAL A 20 6.367 8.442 3.009 1.00 0.00 O ATOM 302 CB VAL A 20 6.246 5.802 1.963 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.855 5.962 2.587 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.308 6.483 0.595 1.00 0.00 C ATOM 0 H VAL A 20 6.663 4.832 4.164 1.00 0.00 H new ATOM 0 HA VAL A 20 8.310 6.268 2.256 1.00 0.00 H new ATOM 0 HB VAL A 20 6.390 4.729 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.099 5.612 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.798 5.375 3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.678 7.013 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.478 6.138 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.240 7.563 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.250 6.234 0.107 1.00 0.00 H new ATOM 314 N GLU A 21 8.250 8.153 4.186 1.00 0.00 N ATOM 315 CA GLU A 21 8.402 9.546 4.581 1.00 0.00 C ATOM 316 C GLU A 21 9.885 9.872 4.455 1.00 0.00 C ATOM 317 O GLU A 21 10.316 10.543 3.523 1.00 0.00 O ATOM 318 CB GLU A 21 7.886 9.780 6.012 1.00 0.00 C ATOM 319 CG GLU A 21 6.385 10.111 6.052 1.00 0.00 C ATOM 320 CD GLU A 21 5.910 10.497 7.451 1.00 0.00 C ATOM 321 OE1 GLU A 21 6.641 10.172 8.412 1.00 0.00 O ATOM 322 OE2 GLU A 21 4.824 11.114 7.541 1.00 0.00 O ATOM 0 H GLU A 21 8.950 7.535 4.597 1.00 0.00 H new ATOM 0 HA GLU A 21 7.810 10.201 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.074 8.890 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.447 10.596 6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.178 10.929 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.816 9.249 5.703 1.00 0.00 H new ATOM 329 N LYS A 22 10.694 9.343 5.375 1.00 0.00 N ATOM 330 CA LYS A 22 12.108 9.679 5.466 1.00 0.00 C ATOM 331 C LYS A 22 12.957 8.935 4.423 1.00 0.00 C ATOM 332 O LYS A 22 14.024 8.421 4.753 1.00 0.00 O ATOM 333 CB LYS A 22 12.571 9.443 6.913 1.00 0.00 C ATOM 334 CG LYS A 22 12.618 7.949 7.295 1.00 0.00 C ATOM 335 CD LYS A 22 14.051 7.433 7.538 1.00 0.00 C ATOM 336 CE LYS A 22 14.280 6.975 8.983 1.00 0.00 C ATOM 337 NZ LYS A 22 14.112 8.076 9.954 1.00 10.00 N ATOM 0 H LYS A 22 10.383 8.670 6.076 1.00 0.00 H new ATOM 0 HA LYS A 22 12.250 10.732 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.561 9.878 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.899 9.965 7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.024 7.791 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.156 7.362 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.253 6.602 6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.763 8.222 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.582 6.173 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.284 6.562 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.375 7.744 10.904 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 14.723 8.873 9.684 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 13.119 8.387 9.958 1.00 10.00 H new ATOM 351 N GLY A 23 12.488 8.859 3.174 1.00 0.00 N ATOM 352 CA GLY A 23 13.150 8.126 2.107 1.00 0.00 C ATOM 353 C GLY A 23 13.424 6.675 2.505 1.00 0.00 C ATOM 354 O GLY A 23 14.579 6.261 2.590 1.00 0.00 O ATOM 0 H GLY A 23 11.624 9.314 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.529 8.147 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.089 8.618 1.855 1.00 0.00 H new ATOM 358 N GLY A 24 12.363 5.895 2.745 1.00 0.00 N ATOM 359 CA GLY A 24 12.485 4.478 3.007 1.00 0.00 C ATOM 360 C GLY A 24 12.919 3.717 1.756 1.00 0.00 C ATOM 361 O GLY A 24 13.410 4.279 0.778 1.00 0.00 O ATOM 0 H GLY A 24 11.403 6.239 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.210 4.315 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.530 4.088 3.360 1.00 0.00 H new ATOM 365 N LYS A 25 12.721 2.404 1.798 1.00 0.00 N ATOM 366 CA LYS A 25 13.258 1.459 0.840 1.00 0.00 C ATOM 367 C LYS A 25 12.335 0.240 0.773 1.00 0.00 C ATOM 368 O LYS A 25 11.175 0.325 1.165 1.00 0.00 O ATOM 369 CB LYS A 25 14.703 1.126 1.268 1.00 0.00 C ATOM 370 CG LYS A 25 15.721 1.598 0.226 1.00 0.00 C ATOM 371 CD LYS A 25 15.709 0.690 -1.010 1.00 0.00 C ATOM 372 CE LYS A 25 16.829 1.111 -1.976 1.00 0.00 C ATOM 373 NZ LYS A 25 17.144 0.068 -2.974 1.00 0.00 N ATOM 0 H LYS A 25 12.163 1.959 2.526 1.00 0.00 H new ATOM 0 HA LYS A 25 13.300 1.866 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.917 1.598 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.802 0.050 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.495 2.622 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.718 1.606 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.846 -0.349 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.742 0.753 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.534 2.024 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.727 1.344 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.905 0.404 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.453 -0.797 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.296 -0.138 -3.540 1.00 0.00 H new ATOM 387 N HIS A 26 12.847 -0.879 0.261 1.00 0.00 N ATOM 388 CA HIS A 26 12.159 -2.159 0.236 1.00 0.00 C ATOM 389 C HIS A 26 12.317 -2.852 1.591 1.00 0.00 C ATOM 390 O HIS A 26 12.580 -2.184 2.587 1.00 0.00 O ATOM 391 CB HIS A 26 12.709 -2.981 -0.937 1.00 0.00 C ATOM 392 CG HIS A 26 12.848 -2.184 -2.213 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.955 -2.160 -3.036 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.921 -1.324 -2.742 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.692 -1.303 -4.038 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.474 -0.764 -3.898 1.00 0.00 N ATOM 0 H HIS A 26 13.776 -0.916 -0.158 1.00 0.00 H new ATOM 0 HA HIS A 26 11.088 -2.035 0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.683 -3.386 -0.662 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.050 -3.830 -1.117 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.941 -1.116 -2.339 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.372 -1.079 -4.847 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.036 -0.079 -4.514 1.00 0.00 H new ATOM 404 N LYS A 27 12.232 -4.190 1.600 1.00 0.00 N ATOM 405 CA LYS A 27 12.554 -5.063 2.728 1.00 0.00 C ATOM 406 C LYS A 27 11.287 -5.359 3.534 1.00 0.00 C ATOM 407 O LYS A 27 11.060 -4.799 4.600 1.00 0.00 O ATOM 408 CB LYS A 27 13.728 -4.506 3.558 1.00 0.00 C ATOM 409 CG LYS A 27 14.549 -5.572 4.295 1.00 0.00 C ATOM 410 CD LYS A 27 15.874 -4.956 4.779 1.00 0.00 C ATOM 411 CE LYS A 27 16.924 -4.776 3.664 1.00 0.00 C ATOM 412 NZ LYS A 27 17.629 -6.033 3.338 1.00 0.00 N ATOM 0 H LYS A 27 11.922 -4.713 0.781 1.00 0.00 H new ATOM 0 HA LYS A 27 12.914 -6.024 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.391 -3.948 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.336 -3.798 4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.984 -5.959 5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.748 -6.415 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.668 -3.986 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.294 -5.589 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.435 -4.395 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.652 -4.026 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.323 -5.856 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.120 -6.385 4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.941 -6.743 3.016 1.00 0.00 H new ATOM 426 N THR A 28 10.451 -6.247 2.984 1.00 0.00 N ATOM 427 CA THR A 28 9.181 -6.650 3.578 1.00 0.00 C ATOM 428 C THR A 28 8.188 -5.482 3.593 1.00 0.00 C ATOM 429 O THR A 28 7.259 -5.481 4.387 1.00 0.00 O ATOM 430 CB THR A 28 9.407 -7.286 4.969 1.00 0.00 C ATOM 431 OG1 THR A 28 10.544 -8.128 4.909 1.00 0.00 O ATOM 432 CG2 THR A 28 8.230 -8.150 5.445 1.00 0.00 C ATOM 0 H THR A 28 10.646 -6.712 2.097 1.00 0.00 H new ATOM 0 HA THR A 28 8.726 -7.423 2.959 1.00 0.00 H new ATOM 0 HB THR A 28 9.529 -6.460 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.697 -8.535 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.457 -8.565 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.331 -7.537 5.509 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.066 -8.963 4.737 1.00 0.00 H new ATOM 440 N GLY A 29 8.332 -4.522 2.678 1.00 0.00 N ATOM 441 CA GLY A 29 7.456 -3.363 2.631 1.00 0.00 C ATOM 442 C GLY A 29 8.039 -2.313 1.690 1.00 0.00 C ATOM 443 O GLY A 29 8.845 -1.497 2.123 1.00 0.00 O ATOM 0 H GLY A 29 9.054 -4.530 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.464 -3.659 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.338 -2.944 3.630 1.00 0.00 H new ATOM 447 N PRO A 30 7.702 -2.331 0.392 1.00 0.00 N ATOM 448 CA PRO A 30 8.191 -1.331 -0.544 1.00 0.00 C ATOM 449 C PRO A 30 7.763 0.069 -0.120 1.00 0.00 C ATOM 450 O PRO A 30 6.575 0.336 0.043 1.00 0.00 O ATOM 451 CB PRO A 30 7.642 -1.709 -1.919 1.00 0.00 C ATOM 452 CG PRO A 30 6.442 -2.585 -1.575 1.00 0.00 C ATOM 453 CD PRO A 30 6.831 -3.278 -0.276 1.00 0.00 C ATOM 0 HA PRO A 30 9.281 -1.313 -0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.350 -0.830 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.379 -2.248 -2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.538 -1.988 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.240 -3.308 -2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.954 -3.507 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.342 -4.222 -0.467 1.00 0.00 H new ATOM 461 N ASN A 31 8.730 0.971 0.041 1.00 0.00 N ATOM 462 CA ASN A 31 8.474 2.397 0.112 1.00 0.00 C ATOM 463 C ASN A 31 7.570 2.808 -1.045 1.00 0.00 C ATOM 464 O ASN A 31 7.921 2.644 -2.213 1.00 0.00 O ATOM 465 CB ASN A 31 9.779 3.199 0.112 1.00 0.00 C ATOM 466 CG ASN A 31 10.674 2.952 -1.108 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.909 1.817 -1.513 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.234 4.014 -1.679 1.00 0.00 N ATOM 0 H ASN A 31 9.716 0.725 0.126 1.00 0.00 H new ATOM 0 HA ASN A 31 7.967 2.618 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.539 4.261 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.340 2.956 1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.870 3.893 -2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.027 4.950 -1.329 1.00 0.00 H new ATOM 475 N LEU A 32 6.396 3.336 -0.705 1.00 0.00 N ATOM 476 CA LEU A 32 5.274 3.557 -1.604 1.00 0.00 C ATOM 477 C LEU A 32 5.487 4.852 -2.404 1.00 0.00 C ATOM 478 O LEU A 32 4.610 5.709 -2.480 1.00 0.00 O ATOM 479 CB LEU A 32 3.992 3.585 -0.753 1.00 0.00 C ATOM 480 CG LEU A 32 3.825 2.389 0.207 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.652 2.636 1.155 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.585 1.081 -0.551 1.00 0.00 C ATOM 0 H LEU A 32 6.196 3.634 0.250 1.00 0.00 H new ATOM 0 HA LEU A 32 5.187 2.756 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.981 4.505 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.131 3.620 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 32 4.752 2.295 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.543 1.786 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.839 3.538 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.737 2.760 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.473 0.263 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.678 1.168 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.433 0.879 -1.205 1.00 0.00 H new ATOM 494 N HIS A 33 6.683 4.988 -2.984 1.00 0.00 N ATOM 495 CA HIS A 33 7.201 6.197 -3.609 1.00 0.00 C ATOM 496 C HIS A 33 6.362 6.553 -4.838 1.00 0.00 C ATOM 497 O HIS A 33 6.146 7.719 -5.141 1.00 0.00 O ATOM 498 CB HIS A 33 8.675 5.946 -3.979 1.00 0.00 C ATOM 499 CG HIS A 33 9.593 7.142 -3.896 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.886 7.111 -3.422 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.340 8.424 -4.313 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.397 8.346 -3.544 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.497 9.176 -4.091 1.00 0.00 N ATOM 0 H HIS A 33 7.346 4.215 -3.030 1.00 0.00 H new ATOM 0 HA HIS A 33 7.142 7.044 -2.925 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.066 5.167 -3.324 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.712 5.555 -4.996 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.415 8.786 -4.736 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.394 8.632 -3.243 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.631 10.165 -4.304 1.00 0.00 H new ATOM 511 N GLY A 34 5.903 5.523 -5.554 1.00 0.00 N ATOM 512 CA GLY A 34 4.983 5.654 -6.663 1.00 0.00 C ATOM 513 C GLY A 34 4.115 4.404 -6.668 1.00 0.00 C ATOM 514 O GLY A 34 4.651 3.313 -6.840 1.00 0.00 O ATOM 0 H GLY A 34 6.173 4.557 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.370 6.549 -6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.524 5.752 -7.604 1.00 0.00 H new ATOM 518 N LEU A 35 2.808 4.566 -6.459 1.00 0.00 N ATOM 519 CA LEU A 35 1.819 3.497 -6.503 1.00 0.00 C ATOM 520 C LEU A 35 0.865 3.743 -7.664 1.00 0.00 C ATOM 521 O LEU A 35 0.727 2.917 -8.563 1.00 0.00 O ATOM 522 CB LEU A 35 1.004 3.479 -5.205 1.00 0.00 C ATOM 523 CG LEU A 35 1.751 2.936 -3.985 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.789 3.045 -2.799 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.165 1.477 -4.193 1.00 0.00 C ATOM 0 H LEU A 35 2.399 5.476 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 35 2.336 2.545 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.671 4.494 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.109 2.877 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 35 2.665 3.505 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.276 2.669 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.510 4.088 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.106 2.456 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.694 1.119 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.277 0.867 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.820 1.405 -5.061 1.00 0.00 H new ATOM 537 N PHE A 36 0.199 4.893 -7.635 1.00 0.00 N ATOM 538 CA PHE A 36 -0.867 5.210 -8.564 1.00 0.00 C ATOM 539 C PHE A 36 -0.251 5.398 -9.943 1.00 0.00 C ATOM 540 O PHE A 36 0.439 6.389 -10.170 1.00 0.00 O ATOM 541 CB PHE A 36 -1.623 6.446 -8.066 1.00 0.00 C ATOM 542 CG PHE A 36 -2.426 6.192 -6.799 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.790 6.107 -5.544 1.00 0.00 C ATOM 544 CD2 PHE A 36 -3.801 5.914 -6.889 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.514 5.742 -4.397 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.528 5.602 -5.730 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.898 5.534 -4.481 1.00 0.00 C ATOM 0 H PHE A 36 0.389 5.633 -6.959 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.599 4.405 -8.632 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.910 7.249 -7.881 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.296 6.792 -8.851 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.735 6.325 -5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.297 5.940 -7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.005 5.622 -3.452 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.589 5.412 -5.802 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.473 5.323 -3.591 1.00 0.00 H new ATOM 557 N GLY A 37 -0.459 4.430 -10.845 1.00 0.00 N ATOM 558 CA GLY A 37 0.184 4.452 -12.162 1.00 0.00 C ATOM 559 C GLY A 37 1.436 3.566 -12.245 1.00 0.00 C ATOM 560 O GLY A 37 2.012 3.413 -13.324 1.00 0.00 O ATOM 0 H GLY A 37 -1.065 3.625 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.534 4.125 -12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.457 5.478 -12.407 1.00 0.00 H new ATOM 564 N ARG A 38 1.869 2.970 -11.131 1.00 0.00 N ATOM 565 CA ARG A 38 3.061 2.142 -11.058 1.00 0.00 C ATOM 566 C ARG A 38 2.700 0.723 -11.496 1.00 0.00 C ATOM 567 O ARG A 38 1.965 0.035 -10.787 1.00 0.00 O ATOM 568 CB ARG A 38 3.563 2.150 -9.611 1.00 0.00 C ATOM 569 CG ARG A 38 4.920 1.464 -9.404 1.00 0.00 C ATOM 570 CD ARG A 38 6.116 2.421 -9.523 1.00 0.00 C ATOM 571 NE ARG A 38 7.232 1.927 -8.694 1.00 0.00 N ATOM 572 CZ ARG A 38 8.020 2.668 -7.893 1.00 0.00 C ATOM 573 NH1 ARG A 38 8.020 4.003 -7.983 1.00 0.00 N ATOM 574 NH2 ARG A 38 8.817 2.063 -7.005 1.00 0.00 N ATOM 0 H ARG A 38 1.384 3.056 -10.238 1.00 0.00 H new ATOM 0 HA ARG A 38 3.845 2.522 -11.712 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.637 3.183 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.822 1.659 -8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.935 0.997 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.030 0.665 -10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.430 2.499 -10.564 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.827 3.422 -9.202 1.00 0.00 H new ATOM 0 HE ARG A 38 7.425 0.926 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.419 4.468 -8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.621 4.555 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.825 1.045 -6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.416 2.619 -6.395 1.00 0.00 H new ATOM 588 N LYS A 39 3.227 0.287 -12.648 1.00 0.00 N ATOM 589 CA LYS A 39 3.081 -1.077 -13.146 1.00 0.00 C ATOM 590 C LYS A 39 3.436 -2.065 -12.031 1.00 0.00 C ATOM 591 O LYS A 39 4.612 -2.277 -11.730 1.00 0.00 O ATOM 592 CB LYS A 39 3.991 -1.296 -14.363 1.00 0.00 C ATOM 593 CG LYS A 39 3.650 -0.383 -15.554 1.00 0.00 C ATOM 594 CD LYS A 39 4.926 0.311 -16.058 1.00 0.00 C ATOM 595 CE LYS A 39 4.711 1.108 -17.352 1.00 0.00 C ATOM 596 NZ LYS A 39 3.837 2.285 -17.164 1.00 0.00 N ATOM 0 H LYS A 39 3.775 0.886 -13.266 1.00 0.00 H new ATOM 0 HA LYS A 39 2.049 -1.241 -13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.026 -1.125 -14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.917 -2.336 -14.680 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.202 -0.969 -16.357 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.914 0.362 -15.254 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.297 0.982 -15.283 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.698 -0.440 -16.226 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.677 1.437 -17.735 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.274 0.454 -18.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.728 2.784 -18.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.904 1.974 -16.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.263 2.926 -16.465 1.00 0.00 H new ATOM 610 N THR A 40 2.418 -2.628 -11.385 1.00 0.00 N ATOM 611 CA THR A 40 2.579 -3.499 -10.253 1.00 0.00 C ATOM 612 C THR A 40 3.108 -4.847 -10.738 1.00 0.00 C ATOM 613 O THR A 40 3.180 -5.112 -11.938 1.00 0.00 O ATOM 614 CB THR A 40 1.189 -3.594 -9.642 1.00 0.00 C ATOM 615 OG1 THR A 40 0.682 -2.283 -9.411 1.00 0.00 O ATOM 616 CG2 THR A 40 1.176 -4.437 -8.375 1.00 0.00 C ATOM 0 H THR A 40 1.444 -2.481 -11.649 1.00 0.00 H new ATOM 0 HA THR A 40 3.294 -3.142 -9.512 1.00 0.00 H new ATOM 0 HB THR A 40 0.535 -4.105 -10.348 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.563 -2.143 -8.448 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.163 -4.476 -7.975 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.514 -5.447 -8.607 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.842 -3.992 -7.635 1.00 0.00 H new ATOM 624 N GLY A 41 3.506 -5.712 -9.812 1.00 0.00 N ATOM 625 CA GLY A 41 4.006 -7.026 -10.141 1.00 0.00 C ATOM 626 C GLY A 41 5.500 -6.919 -10.428 1.00 0.00 C ATOM 627 O GLY A 41 6.322 -7.524 -9.738 1.00 0.00 O ATOM 0 H GLY A 41 3.488 -5.514 -8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.827 -7.716 -9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.481 -7.424 -11.009 1.00 0.00 H new ATOM 631 N GLN A 42 5.832 -6.108 -11.437 1.00 0.00 N ATOM 632 CA GLN A 42 7.189 -5.891 -11.916 1.00 0.00 C ATOM 633 C GLN A 42 8.104 -5.396 -10.792 1.00 0.00 C ATOM 634 O GLN A 42 9.021 -6.108 -10.400 1.00 0.00 O ATOM 635 CB GLN A 42 7.168 -4.914 -13.111 1.00 0.00 C ATOM 636 CG GLN A 42 8.250 -5.241 -14.152 1.00 0.00 C ATOM 637 CD GLN A 42 7.779 -6.263 -15.188 1.00 0.00 C ATOM 638 OE1 GLN A 42 6.640 -6.227 -15.638 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.654 -7.174 -15.606 1.00 0.00 N ATOM 0 H GLN A 42 5.137 -5.570 -11.955 1.00 0.00 H new ATOM 0 HA GLN A 42 7.600 -6.842 -12.256 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.188 -4.947 -13.587 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.312 -3.896 -12.748 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.548 -4.324 -14.661 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.134 -5.626 -13.643 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.598 -7.189 -15.220 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.381 -7.857 -16.312 1.00 0.00 H new ATOM 648 N ALA A 43 7.842 -4.175 -10.305 1.00 0.00 N ATOM 649 CA ALA A 43 8.633 -3.455 -9.313 1.00 0.00 C ATOM 650 C ALA A 43 10.136 -3.373 -9.648 1.00 0.00 C ATOM 651 O ALA A 43 10.889 -4.319 -9.431 1.00 0.00 O ATOM 652 CB ALA A 43 8.373 -4.038 -7.930 1.00 0.00 C ATOM 0 H ALA A 43 7.029 -3.641 -10.612 1.00 0.00 H new ATOM 0 HA ALA A 43 8.303 -2.416 -9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.965 -3.499 -7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.315 -3.942 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.653 -5.091 -7.921 1.00 0.00 H new ATOM 658 N PRO A 44 10.633 -2.233 -10.152 1.00 0.00 N ATOM 659 CA PRO A 44 12.055 -2.093 -10.406 1.00 0.00 C ATOM 660 C PRO A 44 12.814 -2.021 -9.073 1.00 0.00 C ATOM 661 O PRO A 44 12.549 -1.141 -8.256 1.00 0.00 O ATOM 662 CB PRO A 44 12.190 -0.816 -11.239 1.00 0.00 C ATOM 663 CG PRO A 44 10.991 0.028 -10.808 1.00 0.00 C ATOM 664 CD PRO A 44 9.916 -1.009 -10.474 1.00 0.00 C ATOM 0 HA PRO A 44 12.483 -2.939 -10.944 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.132 -0.305 -11.038 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.165 -1.031 -12.307 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.229 0.650 -9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.667 0.698 -11.604 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.304 -0.681 -9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.243 -1.160 -11.318 1.00 0.00 H new ATOM 672 N GLY A 45 13.764 -2.938 -8.859 1.00 0.00 N ATOM 673 CA GLY A 45 14.708 -2.884 -7.745 1.00 0.00 C ATOM 674 C GLY A 45 14.337 -3.775 -6.556 1.00 0.00 C ATOM 675 O GLY A 45 15.020 -3.726 -5.531 1.00 0.00 O ATOM 0 H GLY A 45 13.898 -3.748 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.695 -3.174 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.785 -1.853 -7.400 1.00 0.00 H new ATOM 679 N PHE A 46 13.271 -4.576 -6.662 1.00 0.00 N ATOM 680 CA PHE A 46 12.792 -5.486 -5.624 1.00 0.00 C ATOM 681 C PHE A 46 11.488 -6.085 -6.131 1.00 0.00 C ATOM 682 O PHE A 46 10.832 -5.472 -6.962 1.00 0.00 O ATOM 683 CB PHE A 46 12.581 -4.730 -4.300 1.00 0.00 C ATOM 684 CG PHE A 46 11.356 -5.094 -3.481 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.137 -4.445 -3.755 1.00 0.00 C ATOM 686 CD2 PHE A 46 11.411 -6.083 -2.481 1.00 0.00 C ATOM 687 CE1 PHE A 46 8.979 -4.802 -3.050 1.00 0.00 C ATOM 688 CE2 PHE A 46 10.258 -6.399 -1.740 1.00 0.00 C ATOM 689 CZ PHE A 46 9.040 -5.771 -2.036 1.00 0.00 C ATOM 0 H PHE A 46 12.699 -4.607 -7.506 1.00 0.00 H new ATOM 0 HA PHE A 46 13.519 -6.273 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.462 -4.886 -3.678 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.534 -3.664 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.094 -3.672 -4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.339 -6.599 -2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.037 -4.330 -3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.311 -7.126 -0.943 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.149 -6.033 -1.484 1.00 0.00 H new ATOM 699 N THR A 47 11.091 -7.254 -5.634 1.00 0.00 N ATOM 700 CA THR A 47 9.779 -7.801 -5.913 1.00 0.00 C ATOM 701 C THR A 47 9.395 -8.738 -4.770 1.00 0.00 C ATOM 702 O THR A 47 10.063 -8.780 -3.737 1.00 0.00 O ATOM 703 CB THR A 47 9.726 -8.438 -7.312 1.00 0.00 C ATOM 704 OG1 THR A 47 8.392 -8.792 -7.658 1.00 0.00 O ATOM 705 CG2 THR A 47 10.626 -9.675 -7.356 1.00 0.00 C ATOM 0 H THR A 47 11.669 -7.840 -5.032 1.00 0.00 H new ATOM 0 HA THR A 47 9.027 -7.013 -5.951 1.00 0.00 H new ATOM 0 HB THR A 47 10.084 -7.707 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.057 -8.175 -8.342 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.583 -10.121 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.653 -9.386 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.284 -10.400 -6.618 1.00 0.00 H new ATOM 713 N TYR A 48 8.295 -9.458 -4.960 1.00 0.00 N ATOM 714 CA TYR A 48 7.482 -10.029 -3.901 1.00 0.00 C ATOM 715 C TYR A 48 6.967 -11.407 -4.305 1.00 0.00 C ATOM 716 O TYR A 48 7.358 -11.965 -5.331 1.00 0.00 O ATOM 717 CB TYR A 48 6.342 -9.049 -3.557 1.00 0.00 C ATOM 718 CG TYR A 48 5.999 -8.063 -4.651 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.691 -6.850 -4.710 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.027 -8.352 -5.616 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.418 -5.919 -5.725 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.600 -7.335 -6.487 1.00 0.00 C ATOM 723 CZ TYR A 48 5.313 -6.133 -6.566 1.00 0.00 C ATOM 724 OH TYR A 48 5.020 -5.259 -7.569 1.00 0.00 O ATOM 0 H TYR A 48 7.935 -9.666 -5.891 1.00 0.00 H new ATOM 0 HA TYR A 48 8.083 -10.175 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.449 -9.624 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.618 -8.494 -2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.443 -6.627 -3.968 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.610 -9.345 -5.690 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.048 -5.052 -5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.720 -7.481 -7.096 1.00 0.00 H new ATOM 0 HH TYR A 48 4.415 -4.565 -7.232 1.00 0.00 H new ATOM 734 N THR A 49 6.098 -11.959 -3.457 1.00 0.00 N ATOM 735 CA THR A 49 5.455 -13.242 -3.652 1.00 0.00 C ATOM 736 C THR A 49 4.745 -13.281 -4.995 1.00 0.00 C ATOM 737 O THR A 49 4.087 -12.307 -5.353 1.00 0.00 O ATOM 738 CB THR A 49 4.413 -13.430 -2.552 1.00 0.00 C ATOM 739 OG1 THR A 49 3.744 -12.205 -2.304 1.00 0.00 O ATOM 740 CG2 THR A 49 5.098 -13.844 -1.260 1.00 0.00 C ATOM 0 H THR A 49 5.819 -11.503 -2.589 1.00 0.00 H new ATOM 0 HA THR A 49 6.209 -14.029 -3.621 1.00 0.00 H new ATOM 0 HB THR A 49 3.707 -14.194 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.484 -11.796 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.350 -13.977 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.631 -14.782 -1.415 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.804 -13.071 -0.959 1.00 0.00 H new ATOM 748 N ASP A 50 4.804 -14.434 -5.663 1.00 0.00 N ATOM 749 CA ASP A 50 4.203 -14.696 -6.970 1.00 0.00 C ATOM 750 C ASP A 50 2.750 -14.233 -7.007 1.00 0.00 C ATOM 751 O ASP A 50 2.303 -13.627 -7.968 1.00 0.00 O ATOM 752 CB ASP A 50 4.347 -16.189 -7.300 1.00 0.00 C ATOM 753 CG ASP A 50 4.505 -16.424 -8.797 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.923 -15.639 -9.571 1.00 0.00 O ATOM 755 OD2 ASP A 50 5.247 -17.369 -9.135 1.00 0.00 O ATOM 0 H ASP A 50 5.294 -15.247 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 50 4.727 -14.124 -7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.211 -16.596 -6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.471 -16.728 -6.938 1.00 0.00 H new ATOM 760 N ALA A 51 2.019 -14.428 -5.913 1.00 0.00 N ATOM 761 CA ALA A 51 0.635 -13.991 -5.808 1.00 0.00 C ATOM 762 C ALA A 51 0.457 -12.500 -6.117 1.00 0.00 C ATOM 763 O ALA A 51 -0.536 -12.125 -6.741 1.00 0.00 O ATOM 764 CB ALA A 51 0.107 -14.352 -4.418 1.00 0.00 C ATOM 0 H ALA A 51 2.371 -14.893 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 51 0.050 -14.512 -6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.930 -14.029 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.165 -15.431 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.710 -13.853 -3.659 1.00 0.00 H new ATOM 770 N ASN A 52 1.403 -11.654 -5.692 1.00 0.00 N ATOM 771 CA ASN A 52 1.389 -10.233 -6.038 1.00 0.00 C ATOM 772 C ASN A 52 2.186 -9.964 -7.321 1.00 0.00 C ATOM 773 O ASN A 52 1.783 -9.128 -8.126 1.00 0.00 O ATOM 774 CB ASN A 52 1.882 -9.363 -4.870 1.00 0.00 C ATOM 775 CG ASN A 52 0.772 -8.590 -4.167 1.00 0.00 C ATOM 776 OD1 ASN A 52 -0.126 -8.048 -4.807 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.833 -8.514 -2.842 1.00 0.00 N ATOM 0 H ASN A 52 2.190 -11.933 -5.106 1.00 0.00 H new ATOM 0 HA ASN A 52 0.354 -9.952 -6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.386 -10.000 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.624 -8.657 -5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.122 -7.995 -2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.591 -8.975 -2.339 1.00 0.00 H new ATOM 784 N LYS A 53 3.301 -10.669 -7.549 1.00 0.00 N ATOM 785 CA LYS A 53 4.124 -10.483 -8.744 1.00 0.00 C ATOM 786 C LYS A 53 3.256 -10.680 -9.987 1.00 0.00 C ATOM 787 O LYS A 53 3.309 -9.914 -10.946 1.00 0.00 O ATOM 788 CB LYS A 53 5.295 -11.466 -8.754 1.00 0.00 C ATOM 789 CG LYS A 53 6.283 -11.160 -9.889 1.00 0.00 C ATOM 790 CD LYS A 53 7.376 -12.233 -9.963 1.00 0.00 C ATOM 791 CE LYS A 53 8.449 -11.981 -8.899 1.00 0.00 C ATOM 792 NZ LYS A 53 9.471 -13.043 -8.880 1.00 0.00 N ATOM 0 H LYS A 53 3.655 -11.382 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 53 4.534 -9.473 -8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.815 -11.422 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.916 -12.482 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.750 -11.112 -10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.737 -10.182 -9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.936 -13.219 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.830 -12.230 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.928 -11.021 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.978 -11.914 -7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.177 -12.832 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.019 -13.956 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.940 -13.090 -9.807 1.00 0.00 H new ATOM 806 N ASN A 54 2.447 -11.734 -9.935 1.00 0.00 N ATOM 807 CA ASN A 54 1.543 -12.163 -10.978 1.00 0.00 C ATOM 808 C ASN A 54 0.432 -11.131 -11.221 1.00 0.00 C ATOM 809 O ASN A 54 -0.230 -11.170 -12.254 1.00 0.00 O ATOM 810 CB ASN A 54 0.928 -13.512 -10.582 1.00 0.00 C ATOM 811 CG ASN A 54 0.001 -14.069 -11.658 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.369 -14.169 -12.823 1.00 0.00 O ATOM 813 ND2 ASN A 54 -1.214 -14.458 -11.275 1.00 0.00 N ATOM 0 H ASN A 54 2.408 -12.340 -9.115 1.00 0.00 H new ATOM 0 HA ASN A 54 2.106 -12.264 -11.906 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.726 -14.229 -10.388 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.371 -13.395 -9.652 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.863 -14.850 -11.958 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.496 -14.364 -10.299 1.00 0.00 H new ATOM 820 N LYS A 55 0.165 -10.246 -10.248 1.00 0.00 N ATOM 821 CA LYS A 55 -1.042 -9.424 -10.234 1.00 0.00 C ATOM 822 C LYS A 55 -1.084 -8.473 -11.439 1.00 0.00 C ATOM 823 O LYS A 55 -2.134 -8.306 -12.052 1.00 0.00 O ATOM 824 CB LYS A 55 -1.123 -8.671 -8.896 1.00 0.00 C ATOM 825 CG LYS A 55 -2.532 -8.247 -8.452 1.00 0.00 C ATOM 826 CD LYS A 55 -3.284 -9.296 -7.608 1.00 0.00 C ATOM 827 CE LYS A 55 -4.392 -10.028 -8.380 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.217 -10.881 -7.488 1.00 0.00 N ATOM 0 H LYS A 55 0.783 -10.085 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.919 -10.065 -10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.692 -9.302 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.500 -7.779 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.455 -7.325 -7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.125 -8.021 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.569 -10.029 -7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.722 -8.805 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.031 -9.298 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.945 -10.644 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.076 -11.181 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.670 -11.719 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.484 -10.341 -6.640 1.00 0.00 H new ATOM 842 N GLY A 56 0.050 -7.841 -11.763 1.00 0.00 N ATOM 843 CA GLY A 56 0.211 -7.022 -12.965 1.00 0.00 C ATOM 844 C GLY A 56 -0.790 -5.865 -13.069 1.00 0.00 C ATOM 845 O GLY A 56 -1.220 -5.507 -14.163 1.00 0.00 O ATOM 0 H GLY A 56 0.892 -7.886 -11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.223 -6.617 -12.983 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.107 -7.659 -13.843 1.00 0.00 H new ATOM 849 N ILE A 57 -1.150 -5.271 -11.928 1.00 0.00 N ATOM 850 CA ILE A 57 -2.057 -4.129 -11.840 1.00 0.00 C ATOM 851 C ILE A 57 -1.274 -2.810 -11.965 1.00 0.00 C ATOM 852 O ILE A 57 -0.213 -2.771 -12.590 1.00 0.00 O ATOM 853 CB ILE A 57 -2.918 -4.246 -10.565 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.067 -4.315 -9.287 1.00 0.00 C ATOM 855 CG2 ILE A 57 -3.865 -5.442 -10.704 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.869 -4.254 -7.992 1.00 0.00 C ATOM 0 H ILE A 57 -0.809 -5.581 -11.018 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.755 -4.128 -12.677 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.515 -3.340 -10.462 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.489 -5.239 -9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.352 -3.492 -9.296 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.476 -5.529 -9.805 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.511 -5.296 -11.569 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.283 -6.354 -10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.190 -4.309 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.426 -3.318 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.565 -5.092 -7.955 1.00 0.00 H new ATOM 868 N THR A 58 -1.785 -1.699 -11.426 1.00 0.00 N ATOM 869 CA THR A 58 -1.203 -0.381 -11.580 1.00 0.00 C ATOM 870 C THR A 58 -1.428 0.428 -10.289 1.00 0.00 C ATOM 871 O THR A 58 -1.643 1.639 -10.344 1.00 0.00 O ATOM 872 CB THR A 58 -1.868 0.218 -12.828 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.764 -0.689 -13.909 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.249 1.535 -13.257 1.00 0.00 C ATOM 0 H THR A 58 -2.633 -1.701 -10.860 1.00 0.00 H new ATOM 0 HA THR A 58 -0.123 -0.387 -11.725 1.00 0.00 H new ATOM 0 HB THR A 58 -2.909 0.403 -12.562 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.191 -0.303 -14.702 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.763 1.907 -14.144 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.345 2.262 -12.451 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.194 1.384 -13.485 1.00 0.00 H new ATOM 882 N TRP A 59 -1.440 -0.285 -9.150 1.00 0.00 N ATOM 883 CA TRP A 59 -1.919 0.144 -7.834 1.00 0.00 C ATOM 884 C TRP A 59 -2.780 1.405 -7.870 1.00 0.00 C ATOM 885 O TRP A 59 -2.386 2.459 -7.378 1.00 0.00 O ATOM 886 CB TRP A 59 -0.752 0.243 -6.849 1.00 0.00 C ATOM 887 CG TRP A 59 -0.327 -1.068 -6.279 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.879 -1.644 -6.453 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.090 -1.980 -5.434 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.913 -2.846 -5.782 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.284 -3.122 -5.156 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.386 -1.956 -4.871 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.744 -4.191 -4.370 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.846 -3.010 -4.065 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.032 -4.127 -3.818 1.00 0.00 C ATOM 0 H TRP A 59 -1.090 -1.243 -9.128 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.599 -0.628 -7.474 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.099 0.701 -7.354 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.034 0.908 -6.033 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.692 -1.228 -7.029 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.727 -3.460 -5.752 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.033 -1.113 -5.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.115 -5.051 -4.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.834 -2.961 -3.632 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.397 -4.936 -3.203 1.00 0.00 H new ATOM 906 N LYS A 60 -3.979 1.274 -8.443 1.00 0.00 N ATOM 907 CA LYS A 60 -4.905 2.387 -8.577 1.00 0.00 C ATOM 908 C LYS A 60 -5.835 2.458 -7.358 1.00 0.00 C ATOM 909 O LYS A 60 -5.859 1.553 -6.519 1.00 0.00 O ATOM 910 CB LYS A 60 -5.693 2.275 -9.893 1.00 0.00 C ATOM 911 CG LYS A 60 -6.488 0.965 -10.044 1.00 0.00 C ATOM 912 CD LYS A 60 -6.096 0.190 -11.310 1.00 0.00 C ATOM 913 CE LYS A 60 -6.732 0.836 -12.552 1.00 0.00 C ATOM 914 NZ LYS A 60 -6.185 0.310 -13.817 1.00 0.00 N ATOM 0 H LYS A 60 -4.329 0.395 -8.824 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.339 3.318 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.383 3.116 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.998 2.363 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.319 0.337 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.554 1.191 -10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.011 0.176 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.421 -0.847 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.809 0.669 -12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.576 1.914 -12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.650 0.781 -14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.162 0.492 -13.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.357 -0.714 -13.870 1.00 0.00 H new ATOM 928 N GLU A 61 -6.656 3.514 -7.320 1.00 0.00 N ATOM 929 CA GLU A 61 -7.624 3.808 -6.262 1.00 0.00 C ATOM 930 C GLU A 61 -8.654 2.717 -6.025 1.00 0.00 C ATOM 931 O GLU A 61 -9.290 2.698 -4.975 1.00 0.00 O ATOM 932 CB GLU A 61 -8.260 5.193 -6.480 1.00 0.00 C ATOM 933 CG GLU A 61 -8.854 5.465 -7.872 1.00 0.00 C ATOM 934 CD GLU A 61 -8.933 6.968 -8.075 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.891 7.584 -7.559 1.00 0.00 O ATOM 936 OE2 GLU A 61 -7.937 7.547 -8.551 1.00 0.00 O ATOM 0 H GLU A 61 -6.662 4.217 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.059 3.834 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.050 5.326 -5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.503 5.951 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.234 5.010 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.845 5.019 -7.955 1.00 0.00 H new ATOM 943 N GLU A 62 -8.781 1.794 -6.967 1.00 0.00 N ATOM 944 CA GLU A 62 -9.722 0.707 -6.883 1.00 0.00 C ATOM 945 C GLU A 62 -9.060 -0.464 -6.150 1.00 0.00 C ATOM 946 O GLU A 62 -9.562 -0.989 -5.155 1.00 0.00 O ATOM 947 CB GLU A 62 -10.143 0.344 -8.316 1.00 0.00 C ATOM 948 CG GLU A 62 -10.472 1.589 -9.160 1.00 0.00 C ATOM 949 CD GLU A 62 -10.748 1.205 -10.605 1.00 0.00 C ATOM 950 OE1 GLU A 62 -9.746 0.922 -11.298 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.935 1.186 -10.985 1.00 0.00 O ATOM 0 H GLU A 62 -8.221 1.787 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.615 0.977 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.342 -0.217 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.014 -0.310 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.341 2.098 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.640 2.292 -9.118 1.00 0.00 H new ATOM 958 N THR A 63 -7.884 -0.850 -6.644 1.00 0.00 N ATOM 959 CA THR A 63 -7.148 -2.002 -6.169 1.00 0.00 C ATOM 960 C THR A 63 -6.625 -1.738 -4.762 1.00 0.00 C ATOM 961 O THR A 63 -6.658 -2.630 -3.918 1.00 0.00 O ATOM 962 CB THR A 63 -6.031 -2.329 -7.167 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.289 -1.169 -7.515 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.637 -2.886 -8.459 1.00 0.00 C ATOM 0 H THR A 63 -7.414 -0.354 -7.401 1.00 0.00 H new ATOM 0 HA THR A 63 -7.798 -2.875 -6.104 1.00 0.00 H new ATOM 0 HB THR A 63 -5.374 -3.056 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.641 -0.971 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.839 -3.117 -9.165 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.198 -3.794 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.305 -2.144 -8.897 1.00 0.00 H new ATOM 972 N LEU A 64 -6.164 -0.509 -4.496 1.00 0.00 N ATOM 973 CA LEU A 64 -5.794 -0.128 -3.144 1.00 0.00 C ATOM 974 C LEU A 64 -6.966 -0.335 -2.189 1.00 0.00 C ATOM 975 O LEU A 64 -6.776 -0.887 -1.115 1.00 0.00 O ATOM 976 CB LEU A 64 -5.316 1.328 -3.085 1.00 0.00 C ATOM 977 CG LEU A 64 -3.782 1.447 -3.078 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.264 1.854 -4.455 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.341 2.471 -2.032 1.00 0.00 C ATOM 0 H LEU A 64 -6.043 0.224 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.968 -0.768 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.715 1.873 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.718 1.802 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.363 0.473 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.177 1.932 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.555 1.103 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.690 2.818 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.254 2.548 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.774 3.443 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.680 2.153 -1.046 1.00 0.00 H new ATOM 991 N MET A 65 -8.167 0.113 -2.550 1.00 0.00 N ATOM 992 CA MET A 65 -9.324 0.019 -1.681 1.00 0.00 C ATOM 993 C MET A 65 -9.616 -1.445 -1.352 1.00 0.00 C ATOM 994 O MET A 65 -9.764 -1.797 -0.182 1.00 0.00 O ATOM 995 CB MET A 65 -10.491 0.743 -2.363 1.00 0.00 C ATOM 996 CG MET A 65 -11.542 1.219 -1.360 1.00 0.00 C ATOM 997 SD MET A 65 -12.617 2.566 -1.929 1.00 0.00 S ATOM 998 CE MET A 65 -11.438 3.938 -2.036 1.00 0.00 C ATOM 0 H MET A 65 -8.359 0.549 -3.452 1.00 0.00 H new ATOM 0 HA MET A 65 -9.146 0.506 -0.722 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.109 1.599 -2.920 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.958 0.074 -3.086 1.00 0.00 H new ATOM 0 HG2 MET A 65 -12.168 0.370 -1.087 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.032 1.544 -0.453 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.981 4.882 -2.075 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.788 3.929 -1.161 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.834 3.830 -2.937 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.655 -2.300 -2.379 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.929 -3.721 -2.192 1.00 0.00 C ATOM 1010 C GLU A 66 -8.865 -4.371 -1.286 1.00 0.00 C ATOM 1011 O GLU A 66 -9.186 -5.087 -0.336 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.065 -4.387 -3.573 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.891 -5.681 -3.523 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.361 -6.106 -4.912 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.496 -6.176 -5.812 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.577 -6.350 -5.053 1.00 0.00 O ATOM 0 H GLU A 66 -9.499 -2.028 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.874 -3.864 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.533 -3.688 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.072 -4.608 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.292 -6.478 -3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.755 -5.536 -2.875 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.587 -4.085 -1.551 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.466 -4.608 -0.776 1.00 0.00 C ATOM 1025 C TYR A 67 -6.561 -4.174 0.683 1.00 0.00 C ATOM 1026 O TYR A 67 -6.574 -5.007 1.577 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.162 -4.107 -1.408 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.874 -4.685 -0.849 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.701 -6.079 -0.797 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.764 -3.850 -0.627 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.445 -6.635 -0.508 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.487 -4.414 -0.459 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.322 -5.809 -0.415 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.090 -6.377 -0.296 1.00 0.00 O ATOM 0 H TYR A 67 -7.302 -3.477 -2.319 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.489 -5.698 -0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.196 -4.320 -2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.125 -3.023 -1.300 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.543 -6.729 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.892 -2.778 -0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.347 -7.700 -0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.626 -3.770 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 67 0.360 -6.019 0.498 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.618 -2.867 0.934 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.697 -2.321 2.280 1.00 0.00 C ATOM 1046 C LEU A 68 -7.915 -2.860 3.028 1.00 0.00 C ATOM 1047 O LEU A 68 -7.822 -3.106 4.232 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.709 -0.782 2.267 1.00 0.00 C ATOM 1049 CG LEU A 68 -5.325 -0.113 2.334 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.478 -0.692 3.473 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.550 -0.177 1.014 1.00 0.00 C ATOM 0 H LEU A 68 -6.610 -2.156 0.202 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.801 -2.645 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.213 -0.447 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.304 -0.433 3.110 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.521 0.940 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.507 -0.197 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.987 -0.530 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.338 -1.761 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.584 0.314 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.395 -1.219 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.119 0.328 0.233 1.00 0.00 H new ATOM 1063 N GLU A 69 -9.049 -3.044 2.342 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.195 -3.694 2.959 1.00 0.00 C ATOM 1065 C GLU A 69 -9.806 -5.098 3.414 1.00 0.00 C ATOM 1066 O GLU A 69 -10.048 -5.467 4.563 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.415 -3.716 2.021 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.676 -4.100 2.816 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.941 -4.091 1.970 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.023 -4.945 1.066 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.808 -3.233 2.260 1.00 0.00 O ATOM 0 H GLU A 69 -9.191 -2.755 1.374 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.492 -3.115 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.549 -2.737 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.252 -4.429 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.540 -5.093 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.798 -3.407 3.649 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.230 -5.891 2.507 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.059 -7.314 2.742 1.00 0.00 C ATOM 1080 C ASN A 70 -7.881 -7.859 1.933 1.00 0.00 C ATOM 1081 O ASN A 70 -8.073 -8.424 0.863 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.368 -8.005 2.350 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.561 -9.314 3.100 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.600 -9.940 3.540 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.813 -9.738 3.254 1.00 0.00 N ATOM 0 H ASN A 70 -8.877 -5.566 1.607 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.835 -7.505 3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.206 -7.340 2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.371 -8.197 1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.999 -10.609 3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.587 -9.192 2.875 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.638 -7.714 2.400 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.484 -7.896 1.536 1.00 0.00 C ATOM 1094 C PRO A 71 -5.263 -9.373 1.215 1.00 0.00 C ATOM 1095 O PRO A 71 -5.061 -9.752 0.058 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.318 -7.225 2.265 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.742 -7.252 3.732 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.270 -7.192 3.696 1.00 0.00 C ATOM 0 HA PRO A 71 -5.612 -7.437 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.384 -7.765 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.159 -6.206 1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.393 -8.157 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.325 -6.407 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.707 -7.786 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.627 -6.170 3.825 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.376 -10.213 2.247 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.348 -11.664 2.136 1.00 0.00 C ATOM 1108 C LYS A 72 -6.466 -12.227 1.242 1.00 0.00 C ATOM 1109 O LYS A 72 -6.412 -13.405 0.891 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.433 -12.281 3.546 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.068 -12.746 4.086 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.252 -13.956 5.014 1.00 0.00 C ATOM 1113 CE LYS A 72 -4.683 -15.212 4.226 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.633 -16.251 4.180 1.00 0.00 N ATOM 0 H LYS A 72 -5.492 -9.888 3.207 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.408 -11.935 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.857 -11.548 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.116 -13.130 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.411 -13.010 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.586 -11.932 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.319 -14.158 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.001 -13.725 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.581 -15.630 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.946 -14.924 3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.978 -17.069 3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.783 -15.866 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.398 -16.550 5.148 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.492 -11.431 0.920 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.585 -11.822 0.041 1.00 0.00 C ATOM 1130 C LYS A 73 -8.282 -11.322 -1.373 1.00 0.00 C ATOM 1131 O LYS A 73 -8.348 -12.104 -2.320 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.882 -11.253 0.623 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.174 -11.419 -0.183 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.684 -12.865 -0.264 1.00 0.00 C ATOM 1135 CE LYS A 73 -11.338 -13.518 -1.611 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.137 -14.737 -1.850 1.00 0.00 N ATOM 0 H LYS A 73 -7.582 -10.479 1.274 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.699 -12.904 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.038 -11.712 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.731 -10.187 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.950 -10.796 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.009 -11.047 -1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.248 -13.450 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.764 -12.878 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.513 -12.805 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.277 -13.768 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.875 -15.149 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.951 -15.428 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.148 -14.494 -1.855 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.946 -10.033 -1.523 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.558 -9.437 -2.797 1.00 0.00 C ATOM 1152 C TYR A 74 -6.492 -10.255 -3.544 1.00 0.00 C ATOM 1153 O TYR A 74 -6.546 -10.419 -4.772 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.045 -8.016 -2.535 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.733 -7.240 -3.798 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.719 -7.121 -4.791 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.437 -6.754 -4.051 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.395 -6.593 -6.049 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.107 -6.238 -5.315 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.089 -6.167 -6.315 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.761 -5.772 -7.572 1.00 0.00 O ATOM 0 H TYR A 74 -7.938 -9.370 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.437 -9.421 -3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.792 -7.470 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.146 -8.071 -1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.731 -7.437 -4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.692 -6.778 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.154 -6.515 -6.813 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.102 -5.897 -5.516 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.545 -5.849 -8.154 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.491 -10.738 -2.804 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.438 -11.598 -3.334 1.00 0.00 C ATOM 1173 C ILE A 75 -4.483 -12.941 -2.604 1.00 0.00 C ATOM 1174 O ILE A 75 -4.527 -12.947 -1.374 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.078 -10.914 -3.142 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.998 -9.631 -3.985 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.902 -11.815 -3.525 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.607 -8.486 -3.065 1.00 0.00 C ATOM 0 H ILE A 75 -5.391 -10.539 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.587 -11.771 -4.400 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.002 -10.684 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.265 -9.745 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.958 -9.427 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.966 -11.278 -3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.914 -12.712 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.987 -12.098 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.543 -7.562 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.358 -8.375 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.639 -8.698 -2.611 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.433 -14.081 -3.320 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.414 -15.397 -2.703 1.00 0.00 C ATOM 1192 C PRO A 76 -3.056 -15.656 -2.034 1.00 0.00 C ATOM 1193 O PRO A 76 -2.247 -16.435 -2.531 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.717 -16.376 -3.846 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.129 -15.674 -5.068 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.415 -14.201 -4.772 1.00 0.00 C ATOM 0 HA PRO A 76 -5.148 -15.505 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.254 -17.348 -3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.788 -16.548 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.061 -15.867 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.604 -16.002 -5.992 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.649 -13.559 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.369 -13.895 -5.201 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.814 -15.011 -0.890 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.629 -15.234 -0.075 1.00 0.00 C ATOM 1206 C GLY A 77 -0.450 -14.376 -0.534 1.00 0.00 C ATOM 1207 O GLY A 77 0.457 -14.856 -1.209 1.00 0.00 O ATOM 0 H GLY A 77 -3.447 -14.311 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.858 -15.009 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.351 -16.287 -0.120 1.00 0.00 H new ATOM 1211 N THR A 78 -0.451 -13.102 -0.134 1.00 0.00 N ATOM 1212 CA THR A 78 0.693 -12.213 -0.296 1.00 0.00 C ATOM 1213 C THR A 78 1.706 -12.429 0.838 1.00 0.00 C ATOM 1214 O THR A 78 1.454 -13.169 1.788 1.00 0.00 O ATOM 1215 CB THR A 78 0.218 -10.751 -0.390 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.326 -9.867 -0.432 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.705 -10.339 0.760 1.00 0.00 C ATOM 0 H THR A 78 -1.253 -12.659 0.314 1.00 0.00 H new ATOM 0 HA THR A 78 1.206 -12.448 -1.229 1.00 0.00 H new ATOM 0 HB THR A 78 -0.357 -10.684 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.012 -8.944 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.003 -9.298 0.633 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.592 -10.973 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.178 -10.452 1.708 1.00 0.00 H new ATOM 1225 N LYS A 79 2.843 -11.739 0.732 1.00 0.00 N ATOM 1226 CA LYS A 79 3.829 -11.582 1.788 1.00 0.00 C ATOM 1227 C LYS A 79 3.356 -10.551 2.820 1.00 0.00 C ATOM 1228 O LYS A 79 3.848 -10.561 3.945 1.00 0.00 O ATOM 1229 CB LYS A 79 5.166 -11.129 1.177 1.00 0.00 C ATOM 1230 CG LYS A 79 6.359 -11.981 1.625 1.00 0.00 C ATOM 1231 CD LYS A 79 7.645 -11.377 1.034 1.00 0.00 C ATOM 1232 CE LYS A 79 8.823 -12.362 1.001 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.195 -12.862 2.340 1.00 0.00 N ATOM 0 H LYS A 79 3.107 -11.258 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 79 3.960 -12.540 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.091 -11.165 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.348 -10.090 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.418 -12.006 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.236 -13.011 1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.442 -11.031 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.929 -10.502 1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.565 -13.207 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.686 -11.873 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.994 -13.522 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.469 -12.062 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.383 -13.355 2.764 1.00 0.00 H new ATOM 1247 N MET A 80 2.468 -9.626 2.431 1.00 0.00 N ATOM 1248 CA MET A 80 1.954 -8.604 3.336 1.00 0.00 C ATOM 1249 C MET A 80 1.105 -9.251 4.430 1.00 0.00 C ATOM 1250 O MET A 80 0.417 -10.243 4.192 1.00 0.00 O ATOM 1251 CB MET A 80 1.155 -7.579 2.532 1.00 0.00 C ATOM 1252 CG MET A 80 0.524 -6.442 3.339 1.00 0.00 C ATOM 1253 SD MET A 80 0.391 -4.899 2.403 1.00 0.00 S ATOM 1254 CE MET A 80 -1.295 -4.327 2.756 1.00 0.00 C ATOM 0 H MET A 80 2.091 -9.570 1.485 1.00 0.00 H new ATOM 0 HA MET A 80 2.780 -8.088 3.826 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.813 -7.143 1.780 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.362 -8.103 1.998 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.469 -6.746 3.670 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.119 -6.267 4.235 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.478 -3.389 2.231 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.011 -5.077 2.420 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.409 -4.171 3.829 1.00 0.00 H new ATOM 1264 N ILE A 81 1.167 -8.682 5.635 1.00 0.00 N ATOM 1265 CA ILE A 81 0.596 -9.244 6.845 1.00 0.00 C ATOM 1266 C ILE A 81 -0.293 -8.164 7.449 1.00 0.00 C ATOM 1267 O ILE A 81 0.175 -7.310 8.200 1.00 0.00 O ATOM 1268 CB ILE A 81 1.731 -9.661 7.797 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.804 -10.542 7.132 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.170 -10.343 9.053 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.307 -11.928 6.704 1.00 0.00 C ATOM 0 H ILE A 81 1.633 -7.788 5.793 1.00 0.00 H new ATOM 0 HA ILE A 81 0.003 -10.137 6.649 1.00 0.00 H new ATOM 0 HB ILE A 81 2.234 -8.738 8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.193 -10.022 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.636 -10.665 7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.992 -10.628 9.710 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.509 -9.653 9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.610 -11.233 8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.126 -12.482 6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.946 -12.471 7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.495 -11.817 5.985 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.569 -8.153 7.066 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.505 -7.122 7.474 1.00 0.00 C ATOM 1285 C PHE A 82 -3.929 -7.640 7.261 1.00 0.00 C ATOM 1286 O PHE A 82 -4.107 -8.596 6.508 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.217 -5.853 6.661 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.806 -4.615 7.282 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.196 -4.079 8.430 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.017 -4.080 6.807 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.818 -3.040 9.134 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.639 -3.037 7.511 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.052 -2.540 8.689 1.00 0.00 C ATOM 0 H PHE A 82 -1.978 -8.865 6.461 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.396 -6.875 8.530 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.139 -5.727 6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.616 -5.974 5.654 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.247 -4.469 8.769 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.466 -4.470 5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.350 -2.626 10.015 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.566 -2.617 7.149 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.554 -1.769 9.255 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.927 -7.044 7.924 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.323 -7.456 7.844 1.00 0.00 C ATOM 1305 C ALA A 83 -7.221 -6.421 8.530 1.00 0.00 C ATOM 1306 O ALA A 83 -7.629 -6.614 9.673 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.488 -8.831 8.498 1.00 0.00 C ATOM 0 H ALA A 83 -4.778 -6.246 8.542 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.620 -7.524 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.532 -9.139 8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.864 -9.558 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.185 -8.775 9.544 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.545 -5.331 7.830 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.397 -4.279 8.369 1.00 0.00 C ATOM 1315 C GLY A 84 -7.611 -3.343 9.291 1.00 0.00 C ATOM 1316 O GLY A 84 -6.601 -3.730 9.873 1.00 0.00 O ATOM 0 H GLY A 84 -7.223 -5.157 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.832 -3.705 7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.225 -4.725 8.920 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.061 -2.088 9.394 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.343 -1.012 10.070 1.00 0.00 C ATOM 1322 C ILE A 85 -8.175 -0.497 11.244 1.00 0.00 C ATOM 1323 O ILE A 85 -7.679 -0.428 12.370 1.00 0.00 O ATOM 1324 CB ILE A 85 -6.933 0.071 9.046 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -6.163 1.238 9.698 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -8.094 0.612 8.197 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -4.673 1.205 9.348 1.00 0.00 C ATOM 0 H ILE A 85 -8.953 -1.790 9.000 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.411 -1.375 10.502 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.264 -0.452 8.363 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.592 2.185 9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.283 1.192 10.780 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.719 1.367 7.506 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.544 -0.205 7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.844 1.059 8.849 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.168 2.044 9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.237 0.270 9.700 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.551 1.278 8.267 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.442 -0.148 10.988 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.388 0.268 12.010 1.00 0.00 C ATOM 1341 C LYS A 86 -11.797 -0.204 11.651 1.00 0.00 C ATOM 1342 O LYS A 86 -12.349 -1.032 12.371 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.380 1.792 12.179 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.236 2.382 13.014 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.537 2.590 14.509 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.477 1.338 15.399 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.751 0.588 15.452 1.00 0.00 N ATOM 0 H LYS A 86 -9.837 -0.150 10.048 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.085 -0.187 12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.348 2.245 11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.324 2.090 12.635 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.370 1.726 12.925 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.954 3.342 12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.831 3.322 14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.532 3.026 14.600 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.691 0.678 15.031 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.197 1.634 16.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.553 -0.422 15.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.333 0.947 16.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.264 0.711 14.556 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.392 0.361 10.591 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.766 0.069 10.189 1.00 0.00 C ATOM 1363 C LYS A 87 -14.022 0.554 8.756 1.00 0.00 C ATOM 1364 O LYS A 87 -14.216 -0.252 7.839 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.745 0.707 11.196 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.203 0.287 10.952 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.097 0.846 12.072 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.594 0.553 11.868 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.913 -0.890 11.919 1.00 0.00 N ATOM 0 H LYS A 87 -11.926 1.038 9.987 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.927 -1.009 10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.454 0.425 12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.668 1.792 11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.541 0.657 9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.278 -0.800 10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.779 0.423 13.025 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.952 1.924 12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.168 1.074 12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.909 0.955 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.934 -1.025 11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.389 -1.388 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.640 -1.273 12.847 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.048 1.878 8.568 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.342 2.505 7.283 1.00 0.00 C ATOM 1385 C LYS A 88 -13.646 3.859 7.123 1.00 0.00 C ATOM 1386 O LYS A 88 -13.054 4.105 6.079 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.851 2.529 6.977 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.754 3.281 7.966 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.755 4.811 7.782 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.171 5.407 7.723 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.791 5.257 6.389 1.00 0.00 N ATOM 0 H LYS A 88 -13.863 2.548 9.314 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.907 1.873 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.989 2.971 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.200 1.498 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.775 2.913 7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.434 3.049 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.207 5.271 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.223 5.062 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.799 4.920 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.128 6.464 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.744 5.674 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.208 5.744 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.858 4.247 6.149 1.00 0.00 H new ATOM 1405 N THR A 89 -13.681 4.722 8.144 1.00 0.00 N ATOM 1406 CA THR A 89 -13.068 6.046 8.104 1.00 0.00 C ATOM 1407 C THR A 89 -11.626 5.966 7.591 1.00 0.00 C ATOM 1408 O THR A 89 -11.281 6.550 6.564 1.00 0.00 O ATOM 1409 CB THR A 89 -13.171 6.657 9.510 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.511 6.529 9.955 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.743 8.125 9.545 1.00 0.00 C ATOM 0 H THR A 89 -14.142 4.514 9.030 1.00 0.00 H new ATOM 0 HA THR A 89 -13.592 6.695 7.402 1.00 0.00 H new ATOM 0 HB THR A 89 -12.489 6.119 10.169 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.596 6.913 10.853 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.835 8.507 10.562 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.707 8.210 9.218 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.382 8.706 8.880 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.805 5.158 8.255 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.406 4.999 7.923 1.00 0.00 C ATOM 1421 C GLU A 90 -9.212 4.280 6.595 1.00 0.00 C ATOM 1422 O GLU A 90 -8.248 4.529 5.881 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.715 4.280 9.075 1.00 0.00 C ATOM 1424 CG GLU A 90 -8.703 5.194 10.311 1.00 0.00 C ATOM 1425 CD GLU A 90 -9.977 5.196 11.153 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -10.927 4.461 10.792 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -9.966 5.894 12.187 1.00 0.00 O ATOM 0 H GLU A 90 -11.104 4.591 9.048 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.952 5.981 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.235 3.349 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.696 4.015 8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.870 4.899 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.507 6.214 9.982 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.170 3.439 6.223 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.227 2.834 4.902 1.00 0.00 C ATOM 1436 C ARG A 91 -10.631 3.843 3.815 1.00 0.00 C ATOM 1437 O ARG A 91 -10.804 3.459 2.662 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.181 1.645 4.980 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.135 0.749 3.744 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.540 -0.659 4.163 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.772 -0.669 4.974 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.005 -0.882 4.497 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.209 -0.915 3.181 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.015 -1.057 5.353 1.00 0.00 N ATOM 0 H ARG A 91 -10.934 3.157 6.837 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.235 2.491 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.937 1.050 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.198 2.013 5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.810 1.126 2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.133 0.745 3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.688 -1.272 3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.729 -1.114 4.732 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.677 -0.501 5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.427 -0.778 2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.147 -1.077 2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.843 -1.028 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.959 -1.220 5.002 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.756 5.123 4.171 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.977 6.237 3.272 1.00 0.00 C ATOM 1460 C GLU A 92 -9.838 7.270 3.401 1.00 0.00 C ATOM 1461 O GLU A 92 -9.628 8.071 2.492 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.351 6.841 3.601 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.941 7.535 2.372 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.646 6.553 1.446 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.703 6.045 1.877 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.120 6.358 0.332 1.00 0.00 O ATOM 0 H GLU A 92 -10.702 5.416 5.146 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.973 5.905 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.027 6.057 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.254 7.556 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.647 8.302 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.146 8.042 1.825 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.152 7.329 4.547 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.015 8.199 4.838 1.00 0.00 C ATOM 1475 C ASP A 93 -6.732 7.617 4.247 1.00 0.00 C ATOM 1476 O ASP A 93 -5.972 8.316 3.587 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.808 8.360 6.353 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.889 9.121 7.105 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -9.045 10.325 6.809 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.516 8.505 7.990 1.00 0.00 O ATOM 0 H ASP A 93 -9.392 6.735 5.341 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.233 9.170 4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.720 7.367 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.857 8.867 6.516 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.459 6.336 4.493 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.264 5.633 4.031 1.00 0.00 C ATOM 1487 C LEU A 94 -5.093 5.808 2.526 1.00 0.00 C ATOM 1488 O LEU A 94 -4.058 6.267 2.037 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.408 4.139 4.360 1.00 0.00 C ATOM 1490 CG LEU A 94 -5.098 3.747 5.817 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.741 3.046 5.865 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -5.082 4.892 6.835 1.00 0.00 C ATOM 0 H LEU A 94 -7.084 5.741 5.037 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.388 6.046 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.428 3.831 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.747 3.575 3.702 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.925 3.103 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.513 2.765 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.771 2.152 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.970 3.721 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.853 4.496 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.323 5.621 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.059 5.375 6.855 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.152 5.474 1.790 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.157 5.514 0.339 1.00 0.00 C ATOM 1506 C ILE A 95 -6.230 6.975 -0.131 1.00 0.00 C ATOM 1507 O ILE A 95 -6.151 7.226 -1.330 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.292 4.607 -0.190 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.138 3.170 0.356 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.353 4.523 -1.724 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -8.359 2.752 1.164 1.00 0.00 C ATOM 0 H ILE A 95 -7.037 5.166 2.194 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.233 5.114 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.214 5.070 0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.993 2.477 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.247 3.110 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.173 3.869 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.515 5.519 -2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.414 4.121 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.220 1.736 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.488 3.431 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.245 2.789 0.530 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.327 7.952 0.788 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.275 9.357 0.430 1.00 0.00 C ATOM 1525 C ALA A 96 -4.821 9.796 0.522 1.00 0.00 C ATOM 1526 O ALA A 96 -4.276 10.337 -0.437 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.181 10.176 1.348 1.00 0.00 C ATOM 0 H ALA A 96 -6.442 7.780 1.787 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.640 9.518 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.130 11.228 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.208 9.824 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.852 10.061 2.381 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.174 9.516 1.658 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.761 9.784 1.834 1.00 0.00 C ATOM 1535 C TYR A 97 -1.966 9.195 0.685 1.00 0.00 C ATOM 1536 O TYR A 97 -1.224 9.923 0.041 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.220 9.231 3.151 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.695 9.230 3.233 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.070 10.278 2.674 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.030 8.144 3.823 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.467 10.318 2.844 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.370 8.158 3.936 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.118 9.247 3.475 1.00 0.00 C ATOM 1544 OH TYR A 97 3.470 9.230 3.638 1.00 0.00 O ATOM 0 H TYR A 97 -4.622 9.098 2.474 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.649 10.868 1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.619 9.822 3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.583 8.212 3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.422 11.057 2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.594 7.299 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.034 11.167 2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.876 7.316 4.385 1.00 0.00 H new ATOM 0 HH TYR A 97 3.713 8.535 4.284 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.079 7.893 0.431 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.219 7.280 -0.572 1.00 0.00 C ATOM 1556 C LEU A 98 -1.409 7.907 -1.956 1.00 0.00 C ATOM 1557 O LEU A 98 -0.478 7.926 -2.761 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.404 5.764 -0.580 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.046 5.131 0.773 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.212 3.614 0.655 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.374 5.473 1.244 1.00 0.00 C ATOM 0 H LEU A 98 -2.736 7.262 0.890 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.183 7.481 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.438 5.527 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.781 5.327 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.720 5.542 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.962 3.145 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.244 3.380 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.548 3.235 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.563 4.995 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.097 5.114 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.472 6.553 1.350 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.585 8.497 -2.196 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.917 9.178 -3.445 1.00 0.00 C ATOM 1575 C LYS A 99 -2.144 10.492 -3.620 1.00 0.00 C ATOM 1576 O LYS A 99 -2.256 11.143 -4.654 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.428 9.430 -3.460 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.010 9.418 -4.872 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.534 9.575 -4.775 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.181 9.249 -6.125 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.657 9.258 -6.059 1.00 0.00 N ATOM 0 H LYS A 99 -3.343 8.513 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.625 8.543 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.926 8.669 -2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.637 10.392 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.583 10.228 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.757 8.486 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.928 8.913 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.785 10.593 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.849 9.974 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.841 8.269 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.048 8.999 -6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.977 8.573 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.987 10.209 -5.798 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.399 10.893 -2.588 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.576 12.086 -2.506 1.00 0.00 C ATOM 1597 C LYS A 100 0.879 11.652 -2.304 1.00 0.00 C ATOM 1598 O LYS A 100 1.762 12.195 -2.952 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.038 13.026 -1.372 1.00 0.00 C ATOM 1600 CG LYS A 100 -2.508 12.879 -0.937 1.00 0.00 C ATOM 1601 CD LYS A 100 -3.205 14.222 -0.686 1.00 0.00 C ATOM 1602 CE LYS A 100 -3.657 14.863 -2.005 1.00 0.00 C ATOM 1603 NZ LYS A 100 -4.414 16.112 -1.776 1.00 0.00 N ATOM 0 H LYS A 100 -1.357 10.347 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.672 12.653 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.403 12.855 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.874 14.056 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.054 12.333 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.552 12.279 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.067 14.072 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.526 14.896 -0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.785 15.074 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.277 14.158 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.702 16.516 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.259 15.906 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.814 16.794 -1.270 1.00 0.00 H new ATOM 1617 N ALA A 101 1.123 10.663 -1.430 1.00 0.00 N ATOM 1618 CA ALA A 101 2.434 10.087 -1.156 1.00 0.00 C ATOM 1619 C ALA A 101 3.121 9.668 -2.449 1.00 0.00 C ATOM 1620 O ALA A 101 4.289 9.970 -2.673 1.00 0.00 O ATOM 1621 CB ALA A 101 2.311 8.872 -0.231 1.00 0.00 C ATOM 0 H ALA A 101 0.381 10.232 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 101 3.035 10.852 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.301 8.458 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.857 9.177 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.687 8.115 -0.706 1.00 0.00 H new ATOM 1627 N THR A 102 2.342 9.016 -3.319 1.00 0.00 N ATOM 1628 CA THR A 102 2.749 8.582 -4.651 1.00 0.00 C ATOM 1629 C THR A 102 3.352 9.710 -5.506 1.00 0.00 C ATOM 1630 O THR A 102 3.837 9.431 -6.603 1.00 0.00 O ATOM 1631 CB THR A 102 1.521 7.958 -5.333 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.868 7.231 -6.496 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.482 9.029 -5.697 1.00 0.00 C ATOM 0 H THR A 102 1.376 8.769 -3.103 1.00 0.00 H new ATOM 0 HA THR A 102 3.551 7.851 -4.550 1.00 0.00 H new ATOM 0 HB THR A 102 1.089 7.266 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.575 7.707 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.375 8.556 -6.178 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.154 9.540 -4.792 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.928 9.752 -6.380 1.00 0.00 H new ATOM 1641 N ASN A 103 3.247 10.967 -5.062 1.00 0.00 N ATOM 1642 CA ASN A 103 3.805 12.144 -5.694 1.00 0.00 C ATOM 1643 C ASN A 103 4.135 13.238 -4.668 1.00 0.00 C ATOM 1644 O ASN A 103 3.995 14.420 -4.996 1.00 0.00 O ATOM 1645 CB ASN A 103 2.801 12.642 -6.735 1.00 0.00 C ATOM 1646 CG ASN A 103 1.448 13.054 -6.148 1.00 0.00 C ATOM 1647 OD1 ASN A 103 0.472 12.320 -6.250 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.359 14.239 -5.555 1.00 0.00 N ATOM 0 H ASN A 103 2.741 11.191 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 103 4.748 11.888 -6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.232 13.494 -7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.641 11.858 -7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.466 14.553 -5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.183 14.835 -5.480 1.00 0.00 H new ATOM 1655 N GLU A 104 4.533 12.870 -3.445 1.00 0.00 N ATOM 1656 CA GLU A 104 4.968 13.867 -2.467 1.00 0.00 C ATOM 1657 C GLU A 104 6.404 14.323 -2.757 1.00 0.00 C ATOM 1658 O GLU A 104 6.759 15.418 -2.271 1.00 0.00 O ATOM 1659 CB GLU A 104 4.711 13.430 -1.010 1.00 0.00 C ATOM 1660 CG GLU A 104 5.577 12.282 -0.448 1.00 0.00 C ATOM 1661 CD GLU A 104 6.381 12.699 0.782 1.00 0.00 C ATOM 1662 OE1 GLU A 104 5.757 13.299 1.685 1.00 0.00 O ATOM 1663 OE2 GLU A 104 7.584 12.362 0.826 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.102 13.599 -3.505 1.00 0.00 O ATOM 0 H GLU A 104 4.562 11.905 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 104 4.342 14.752 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.848 14.300 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.665 13.134 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.934 11.441 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.260 11.935 -1.223 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.978 -3.198 2.769 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.721 -4.071 -0.528 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.011 -0.622 1.653 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.142 -2.570 6.038 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.234 -5.643 3.856 1.00 0.00 C HETATM 1677 NA HEC A 105 1.419 -2.504 0.886 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.870 -2.993 -0.306 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.379 -2.127 -1.355 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.560 -1.191 -0.752 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.641 -1.407 0.680 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.319 -0.171 -1.447 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.843 -2.165 -2.806 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.370 -2.079 -2.959 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.893 -1.286 -4.151 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.538 -1.653 -5.291 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.691 -0.355 -3.904 1.00 0.00 O HETATM 1688 NB HEC A 105 0.803 -1.843 3.683 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.097 -0.876 3.035 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.564 -0.090 4.048 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.295 -0.664 5.277 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.599 -1.767 5.034 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.283 1.200 3.772 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.862 -0.289 6.638 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.377 -0.460 6.712 1.00 0.00 C HETATM 1696 NC HEC A 105 2.555 -3.983 4.606 1.00 0.00 N HETATM 1697 C1C HEC A 105 2.078 -3.554 5.798 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.746 -4.288 6.841 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.726 -5.035 6.231 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.511 -4.932 4.807 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.484 -4.154 8.321 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.957 -5.621 6.887 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.710 -6.944 7.613 1.00 0.00 C HETATM 1704 ND HEC A 105 3.214 -4.646 1.829 1.00 0.00 N HETATM 1705 C1D HEC A 105 4.046 -5.506 2.483 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.760 -6.264 1.483 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.297 -5.862 0.251 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.339 -4.804 0.482 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.879 -7.244 1.728 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.777 -6.369 -1.092 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.660 -6.929 -1.994 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.371 -6.060 -3.216 1.00 0.00 C HETATM 1713 O1D HEC A 105 4.324 -5.431 -3.711 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.189 -6.001 -3.610 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.709 -6.734 2.217 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.522 -8.051 2.368 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 6.216 -7.657 0.777 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.682 -3.129 8.634 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.444 -4.403 8.530 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 3.137 -4.833 8.869 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.585 1.922 3.349 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.093 1.021 3.065 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.694 1.594 4.702 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.299 0.482 -2.064 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.045 -0.685 -2.077 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.844 0.425 -0.701 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 3.939 -7.929 -2.327 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 2.747 -7.032 -1.407 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.969 -6.795 8.399 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 4.342 -7.685 6.903 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.642 -7.296 8.055 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.852 0.177 5.966 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.636 -1.501 6.518 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.727 -0.178 7.705 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.779 -1.638 -2.050 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.763 -3.093 -3.026 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.278 -5.555 -1.617 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.521 -7.149 -0.928 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.490 -3.086 -3.269 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.383 -1.339 -3.349 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.990 -6.347 4.204 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.809 -2.411 7.064 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.579 0.233 1.322 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.917 -4.361 -1.560 1.00 0.00 H new HETATM 0 H2D HEC A 105 2.127 -5.383 -4.368 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.998 0.044 -4.745 1.00 0.00 H new