USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=26 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 NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot -122:sc= 0.296 USER MOD Set 1.2: A 78 THR OG1 : rot 51:sc= 1.69 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0.00906 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 40 THR OG1 : rot 178:sc= 1.86 USER MOD Set 3.2: A 48 TYR OH : rot -149:sc= 0.746 USER MOD Set 3.3: A 105 HEC O2A : rot 127:sc= 0.0264 USER MOD Set 4.1: A 39 LYS NZ :NH3+ -177:sc= 1.23 (180deg=-0.0219) USER MOD Set 4.2: A 42 GLN : amide:sc= 1.08 K(o=2.3,f=-8.8!) USER MOD Set 5.1: A 26 HIS : no HD1:sc= -0.207 X(o=-0.27,f=-0.17) USER MOD Set 5.2: A 31 ASN : amide:sc= -0.0615 K(o=-0.27,f=-2!) USER MOD Set 6.1: A 12 GLN : amide:sc= 1.03 K(o=2.3,f=-8.1!) USER MOD Set 6.2: A 13 LYS NZ :NH3+ -152:sc= 1.3 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -178:sc= -3.17 (180deg=-3.27) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 1.2 (180deg=0.799) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -3:sc= 0.759 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.07) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0447) 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 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -50:sc= 0.492 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.198 K(o=0.2,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.044) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.118 (180deg=-0.401) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 65 MET CE :methyl 156:sc= -0.0903 (180deg=-1.01) USER MOD Single : A 70 ASN : amide:sc= 1.19 K(o=1.2,f=-0.082) 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= -1.23 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0823) 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= 0.0513 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 1.16 (180deg=0.517) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= -0.202! (180deg=-3.71!) USER MOD Single : A 102 THR OG1 : rot -90:sc= 1.13 USER MOD Single : A 103 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.903 10.330 5.341 1.00 0.00 N ATOM 2 CA GLY A 1 -10.889 10.552 6.358 1.00 0.00 C ATOM 3 C GLY A 1 -10.203 11.841 5.934 1.00 0.00 C ATOM 4 O GLY A 1 -10.941 12.731 5.519 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.448 9.476 5.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.542 11.149 5.303 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.445 10.206 4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.334 10.646 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.183 9.723 6.403 1.00 0.00 H new ATOM 10 N ASP A 2 -8.875 11.935 5.948 1.00 0.00 N ATOM 11 CA ASP A 2 -8.157 13.112 5.487 1.00 0.00 C ATOM 12 C ASP A 2 -6.703 12.734 5.200 1.00 0.00 C ATOM 13 O ASP A 2 -6.252 11.679 5.639 1.00 0.00 O ATOM 14 CB ASP A 2 -8.225 14.210 6.555 1.00 0.00 C ATOM 15 CG ASP A 2 -7.384 15.398 6.126 1.00 0.00 C ATOM 16 OD1 ASP A 2 -7.493 15.778 4.940 1.00 0.00 O ATOM 17 OD2 ASP A 2 -6.492 15.757 6.914 1.00 0.00 O ATOM 0 H ASP A 2 -8.266 11.188 6.283 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.614 13.489 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.259 14.520 6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.866 13.824 7.509 1.00 0.00 H new ATOM 22 N VAL A 3 -5.970 13.602 4.503 1.00 0.00 N ATOM 23 CA VAL A 3 -4.533 13.510 4.324 1.00 0.00 C ATOM 24 C VAL A 3 -3.806 13.477 5.674 1.00 0.00 C ATOM 25 O VAL A 3 -2.909 12.650 5.848 1.00 0.00 O ATOM 26 CB VAL A 3 -4.054 14.677 3.441 1.00 0.00 C ATOM 27 CG1 VAL A 3 -2.525 14.744 3.362 1.00 0.00 C ATOM 28 CG2 VAL A 3 -4.606 14.532 2.017 1.00 0.00 C ATOM 0 H VAL A 3 -6.379 14.411 4.036 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.293 12.574 3.820 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.424 15.593 3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.230 15.581 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.115 14.883 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.142 13.816 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.258 15.365 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.257 13.594 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.696 14.534 2.047 1.00 0.00 H new ATOM 38 N GLU A 4 -4.155 14.360 6.620 1.00 0.00 N ATOM 39 CA GLU A 4 -3.470 14.436 7.907 1.00 0.00 C ATOM 40 C GLU A 4 -3.637 13.125 8.645 1.00 0.00 C ATOM 41 O GLU A 4 -2.660 12.508 9.072 1.00 0.00 O ATOM 42 CB GLU A 4 -3.977 15.611 8.754 1.00 0.00 C ATOM 43 CG GLU A 4 -3.502 16.967 8.204 1.00 0.00 C ATOM 44 CD GLU A 4 -1.994 17.152 8.322 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.403 16.627 9.288 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.392 17.737 7.391 1.00 0.00 O ATOM 0 H GLU A 4 -4.913 15.033 6.512 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.410 14.614 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.066 15.593 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.629 15.494 9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.794 17.053 7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.006 17.770 8.742 1.00 0.00 H new ATOM 53 N LYS A 5 -4.888 12.682 8.756 1.00 0.00 N ATOM 54 CA LYS A 5 -5.169 11.392 9.345 1.00 0.00 C ATOM 55 C LYS A 5 -4.425 10.316 8.568 1.00 0.00 C ATOM 56 O LYS A 5 -3.783 9.476 9.178 1.00 0.00 O ATOM 57 CB LYS A 5 -6.675 11.121 9.339 1.00 0.00 C ATOM 58 CG LYS A 5 -7.423 12.085 10.269 1.00 0.00 C ATOM 59 CD LYS A 5 -8.175 11.304 11.353 1.00 0.00 C ATOM 60 CE LYS A 5 -8.935 12.278 12.262 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.634 11.583 13.362 1.00 0.00 N ATOM 0 H LYS A 5 -5.711 13.199 8.446 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.831 11.383 10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.060 11.221 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.862 10.094 9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.718 12.775 10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.125 12.687 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.871 10.603 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.473 10.714 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.237 13.004 12.679 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.659 12.836 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.134 12.280 13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.320 10.908 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.941 11.071 13.945 1.00 0.00 H new ATOM 75 N GLY A 6 -4.469 10.338 7.239 1.00 0.00 N ATOM 76 CA GLY A 6 -3.908 9.246 6.459 1.00 0.00 C ATOM 77 C GLY A 6 -2.418 9.103 6.746 1.00 0.00 C ATOM 78 O GLY A 6 -1.983 8.049 7.206 1.00 0.00 O ATOM 0 H GLY A 6 -4.882 11.090 6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.423 8.316 6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.065 9.431 5.396 1.00 0.00 H new ATOM 82 N LYS A 7 -1.644 10.176 6.544 1.00 0.00 N ATOM 83 CA LYS A 7 -0.198 10.153 6.745 1.00 0.00 C ATOM 84 C LYS A 7 0.195 9.859 8.190 1.00 0.00 C ATOM 85 O LYS A 7 1.335 9.477 8.448 1.00 0.00 O ATOM 86 CB LYS A 7 0.482 11.383 6.124 1.00 0.00 C ATOM 87 CG LYS A 7 0.273 12.617 6.983 1.00 0.00 C ATOM 88 CD LYS A 7 0.796 13.905 6.321 1.00 0.00 C ATOM 89 CE LYS A 7 0.087 15.101 6.971 1.00 0.00 C ATOM 90 NZ LYS A 7 0.766 16.402 6.828 1.00 0.00 N ATOM 0 H LYS A 7 -2.005 11.080 6.238 1.00 0.00 H new ATOM 0 HA LYS A 7 0.198 9.301 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.549 11.193 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.080 11.559 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.790 12.730 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.776 12.477 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.875 13.987 6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.603 13.886 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.912 15.184 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.038 14.892 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.126 17.163 7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.622 16.413 7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.029 16.549 5.833 1.00 0.00 H new ATOM 104 N LYS A 8 -0.738 10.004 9.131 1.00 0.00 N ATOM 105 CA LYS A 8 -0.485 9.745 10.530 1.00 0.00 C ATOM 106 C LYS A 8 -0.765 8.280 10.856 1.00 0.00 C ATOM 107 O LYS A 8 0.104 7.584 11.379 1.00 0.00 O ATOM 108 CB LYS A 8 -1.345 10.721 11.342 1.00 0.00 C ATOM 109 CG LYS A 8 -1.217 10.628 12.866 1.00 0.00 C ATOM 110 CD LYS A 8 -0.013 11.394 13.427 1.00 0.00 C ATOM 111 CE LYS A 8 1.329 10.660 13.241 1.00 0.00 C ATOM 112 NZ LYS A 8 2.371 11.135 14.174 1.00 0.00 N ATOM 0 H LYS A 8 -1.692 10.306 8.933 1.00 0.00 H new ATOM 0 HA LYS A 8 0.562 9.909 10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.091 11.736 11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.390 10.561 11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.128 11.014 13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.136 9.579 13.152 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.045 12.368 12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.173 11.577 14.490 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.177 9.590 13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.675 10.797 12.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.253 10.609 14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.539 12.150 14.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.057 10.981 15.153 1.00 0.00 H new ATOM 126 N ILE A 9 -1.981 7.812 10.572 1.00 0.00 N ATOM 127 CA ILE A 9 -2.456 6.496 10.949 1.00 0.00 C ATOM 128 C ILE A 9 -1.659 5.480 10.140 1.00 0.00 C ATOM 129 O ILE A 9 -1.254 4.451 10.676 1.00 0.00 O ATOM 130 CB ILE A 9 -3.987 6.414 10.740 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.768 6.994 11.938 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.473 4.968 10.601 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.705 8.514 12.082 1.00 0.00 C ATOM 0 H ILE A 9 -2.674 8.358 10.060 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.298 6.281 12.006 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.171 6.985 9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.813 6.697 11.848 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.386 6.542 12.853 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.553 4.960 10.456 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.988 4.502 9.743 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.224 4.412 11.505 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.285 8.821 12.952 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.668 8.825 12.209 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.117 8.982 11.188 1.00 0.00 H new ATOM 145 N PHE A 10 -1.394 5.790 8.869 1.00 0.00 N ATOM 146 CA PHE A 10 -0.503 5.001 8.043 1.00 0.00 C ATOM 147 C PHE A 10 0.812 4.777 8.771 1.00 0.00 C ATOM 148 O PHE A 10 1.128 3.654 9.139 1.00 0.00 O ATOM 149 CB PHE A 10 -0.272 5.745 6.717 1.00 0.00 C ATOM 150 CG PHE A 10 0.856 5.220 5.861 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.659 4.123 5.022 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.149 5.725 6.035 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.759 3.476 4.444 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.255 5.078 5.484 1.00 0.00 C ATOM 155 CZ PHE A 10 3.059 3.934 4.695 1.00 0.00 C ATOM 0 H PHE A 10 -1.796 6.597 8.391 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.946 4.027 7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.193 5.708 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.077 6.794 6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.342 3.772 4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.293 6.631 6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.604 2.621 3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.252 5.453 5.663 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.908 3.408 4.283 1.00 0.00 H new ATOM 165 N VAL A 11 1.583 5.834 9.019 1.00 0.00 N ATOM 166 CA VAL A 11 2.872 5.689 9.655 1.00 0.00 C ATOM 167 C VAL A 11 2.724 4.945 10.994 1.00 0.00 C ATOM 168 O VAL A 11 3.577 4.133 11.346 1.00 0.00 O ATOM 169 CB VAL A 11 3.545 7.072 9.759 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.656 7.078 10.805 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.124 7.577 8.430 1.00 0.00 C ATOM 0 H VAL A 11 1.330 6.794 8.786 1.00 0.00 H new ATOM 0 HA VAL A 11 3.538 5.069 9.055 1.00 0.00 H new ATOM 0 HB VAL A 11 2.743 7.748 10.056 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.108 8.069 10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.239 6.824 11.780 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.416 6.345 10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.581 8.555 8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.877 6.876 8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.325 7.659 7.693 1.00 0.00 H new ATOM 181 N GLN A 12 1.623 5.178 11.716 1.00 0.00 N ATOM 182 CA GLN A 12 1.340 4.519 12.983 1.00 0.00 C ATOM 183 C GLN A 12 1.275 2.982 12.879 1.00 0.00 C ATOM 184 O GLN A 12 1.494 2.330 13.898 1.00 0.00 O ATOM 185 CB GLN A 12 0.077 5.142 13.611 1.00 0.00 C ATOM 186 CG GLN A 12 0.007 5.074 15.145 1.00 0.00 C ATOM 187 CD GLN A 12 -0.539 3.759 15.694 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.470 3.176 15.137 1.00 0.00 O ATOM 189 NE2 GLN A 12 -0.013 3.312 16.829 1.00 0.00 N ATOM 0 H GLN A 12 0.899 5.837 11.429 1.00 0.00 H new ATOM 0 HA GLN A 12 2.182 4.696 13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.017 6.187 13.307 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.799 4.640 13.201 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.006 5.235 15.550 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.618 5.891 15.505 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.758 3.816 17.267 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.380 2.465 17.262 1.00 0.00 H new ATOM 198 N LYS A 13 0.966 2.388 11.710 1.00 0.00 N ATOM 199 CA LYS A 13 0.884 0.924 11.585 1.00 0.00 C ATOM 200 C LYS A 13 1.305 0.299 10.244 1.00 0.00 C ATOM 201 O LYS A 13 1.166 -0.912 10.076 1.00 0.00 O ATOM 202 CB LYS A 13 -0.521 0.459 11.954 1.00 0.00 C ATOM 203 CG LYS A 13 -1.605 1.069 11.068 1.00 0.00 C ATOM 204 CD LYS A 13 -2.432 2.035 11.909 1.00 0.00 C ATOM 205 CE LYS A 13 -3.358 1.301 12.892 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.711 2.158 14.040 1.00 0.00 N ATOM 0 H LYS A 13 0.771 2.896 10.847 1.00 0.00 H new ATOM 0 HA LYS A 13 1.640 0.562 12.281 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.569 -0.627 11.881 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.722 0.717 12.994 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.155 1.592 10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.241 0.286 10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.765 2.694 12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.030 2.667 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.266 0.990 12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.868 0.395 13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.906 1.563 14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.920 2.799 14.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.557 2.717 13.809 1.00 0.00 H new ATOM 220 N CYS A 14 1.799 1.086 9.294 1.00 0.00 N ATOM 221 CA CYS A 14 2.184 0.632 7.963 1.00 0.00 C ATOM 222 C CYS A 14 3.693 0.841 7.812 1.00 0.00 C ATOM 223 O CYS A 14 4.397 -0.052 7.359 1.00 0.00 O ATOM 224 CB CYS A 14 1.462 1.393 6.875 1.00 0.00 C ATOM 225 SG CYS A 14 -0.352 1.558 6.978 1.00 0.00 S ATOM 0 H CYS A 14 1.947 2.086 9.433 1.00 0.00 H new ATOM 0 HA CYS A 14 1.915 -0.419 7.859 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.884 2.397 6.838 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.697 0.914 5.925 1.00 0.00 H new ATOM 230 N ALA A 15 4.201 2.018 8.208 1.00 0.00 N ATOM 231 CA ALA A 15 5.599 2.425 8.031 1.00 0.00 C ATOM 232 C ALA A 15 6.624 1.425 8.545 1.00 0.00 C ATOM 233 O ALA A 15 7.711 1.333 7.978 1.00 0.00 O ATOM 234 CB ALA A 15 5.855 3.774 8.684 1.00 0.00 C ATOM 0 H ALA A 15 3.635 2.729 8.671 1.00 0.00 H new ATOM 0 HA ALA A 15 5.734 2.483 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.898 4.056 8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.210 4.526 8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.641 3.708 9.751 1.00 0.00 H new ATOM 240 N GLN A 16 6.285 0.690 9.608 1.00 0.00 N ATOM 241 CA GLN A 16 7.126 -0.377 10.138 1.00 0.00 C ATOM 242 C GLN A 16 7.588 -1.323 9.021 1.00 0.00 C ATOM 243 O GLN A 16 8.719 -1.815 9.068 1.00 0.00 O ATOM 244 CB GLN A 16 6.379 -1.142 11.245 1.00 0.00 C ATOM 245 CG GLN A 16 7.259 -1.287 12.492 1.00 0.00 C ATOM 246 CD GLN A 16 6.568 -2.115 13.571 1.00 0.00 C ATOM 247 OE1 GLN A 16 5.610 -1.663 14.187 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.049 -3.331 13.821 1.00 0.00 N ATOM 0 H GLN A 16 5.415 0.822 10.124 1.00 0.00 H new ATOM 0 HA GLN A 16 8.019 0.071 10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.460 -0.615 11.502 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.090 -2.128 10.881 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.203 -1.758 12.219 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.498 -0.300 12.887 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.848 -3.682 13.293 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.619 -3.912 14.541 1.00 0.00 H new ATOM 257 N CYS A 17 6.700 -1.561 8.048 1.00 0.00 N ATOM 258 CA CYS A 17 6.934 -2.318 6.830 1.00 0.00 C ATOM 259 C CYS A 17 7.189 -1.391 5.620 1.00 0.00 C ATOM 260 O CYS A 17 7.880 -1.795 4.690 1.00 0.00 O ATOM 261 CB CYS A 17 5.758 -3.234 6.564 1.00 0.00 C ATOM 262 SG CYS A 17 5.460 -4.453 7.892 1.00 0.00 S ATOM 0 H CYS A 17 5.745 -1.206 8.101 1.00 0.00 H new ATOM 0 HA CYS A 17 7.833 -2.918 6.970 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.861 -2.629 6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.927 -3.765 5.627 1.00 0.00 H new ATOM 267 N HIS A 18 6.631 -0.167 5.601 1.00 0.00 N ATOM 268 CA HIS A 18 6.589 0.716 4.430 1.00 0.00 C ATOM 269 C HIS A 18 7.031 2.145 4.743 1.00 0.00 C ATOM 270 O HIS A 18 6.210 3.060 4.731 1.00 0.00 O ATOM 271 CB HIS A 18 5.146 0.797 3.922 1.00 0.00 C ATOM 272 CG HIS A 18 4.636 -0.463 3.315 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.873 -0.849 2.021 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.588 -1.195 3.795 1.00 0.00 C ATOM 275 CE1 HIS A 18 3.993 -1.810 1.732 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.203 -2.079 2.778 1.00 0.00 N ATOM 0 H HIS A 18 6.186 0.242 6.423 1.00 0.00 H new ATOM 0 HA HIS A 18 7.273 0.293 3.694 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.497 1.075 4.752 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.078 1.595 3.183 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.587 -0.473 1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.140 -1.109 4.774 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.927 -2.307 0.776 1.00 0.00 H new ATOM 284 N THR A 19 8.310 2.403 4.985 1.00 0.00 N ATOM 285 CA THR A 19 8.755 3.763 5.265 1.00 0.00 C ATOM 286 C THR A 19 8.861 4.582 3.958 1.00 0.00 C ATOM 287 O THR A 19 9.953 4.925 3.507 1.00 0.00 O ATOM 288 CB THR A 19 10.058 3.673 6.066 1.00 0.00 C ATOM 289 OG1 THR A 19 9.910 2.823 7.191 1.00 0.00 O ATOM 290 CG2 THR A 19 10.529 5.037 6.579 1.00 0.00 C ATOM 0 H THR A 19 9.049 1.700 4.993 1.00 0.00 H new ATOM 0 HA THR A 19 8.031 4.307 5.872 1.00 0.00 H new ATOM 0 HB THR A 19 10.798 3.273 5.373 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.982 2.514 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.456 4.915 7.139 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.701 5.704 5.734 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.766 5.465 7.229 1.00 0.00 H new ATOM 298 N VAL A 20 7.717 4.906 3.341 1.00 0.00 N ATOM 299 CA VAL A 20 7.607 5.807 2.208 1.00 0.00 C ATOM 300 C VAL A 20 7.724 7.258 2.691 1.00 0.00 C ATOM 301 O VAL A 20 6.744 7.845 3.139 1.00 0.00 O ATOM 302 CB VAL A 20 6.309 5.522 1.425 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.013 5.500 2.248 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.156 6.501 0.263 1.00 0.00 C ATOM 0 H VAL A 20 6.816 4.529 3.635 1.00 0.00 H new ATOM 0 HA VAL A 20 8.427 5.640 1.509 1.00 0.00 H new ATOM 0 HB VAL A 20 6.438 4.500 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.169 5.291 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.080 4.725 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.869 6.469 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.234 6.284 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.119 7.520 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.005 6.399 -0.413 1.00 0.00 H new ATOM 314 N GLU A 21 8.920 7.844 2.585 1.00 0.00 N ATOM 315 CA GLU A 21 9.157 9.252 2.850 1.00 0.00 C ATOM 316 C GLU A 21 10.496 9.615 2.202 1.00 0.00 C ATOM 317 O GLU A 21 11.327 10.304 2.787 1.00 0.00 O ATOM 318 CB GLU A 21 9.076 9.540 4.363 1.00 0.00 C ATOM 319 CG GLU A 21 8.538 10.950 4.641 1.00 0.00 C ATOM 320 CD GLU A 21 8.179 11.124 6.112 1.00 0.00 C ATOM 321 OE1 GLU A 21 9.114 11.043 6.936 1.00 0.00 O ATOM 322 OE2 GLU A 21 6.975 11.319 6.387 1.00 0.00 O ATOM 0 H GLU A 21 9.761 7.338 2.307 1.00 0.00 H new ATOM 0 HA GLU A 21 8.388 9.889 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.430 8.803 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.065 9.433 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.286 11.690 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.658 11.134 4.025 1.00 0.00 H new ATOM 329 N LYS A 22 10.684 9.128 0.964 1.00 0.00 N ATOM 330 CA LYS A 22 11.816 9.403 0.081 1.00 0.00 C ATOM 331 C LYS A 22 13.159 9.485 0.821 1.00 0.00 C ATOM 332 O LYS A 22 13.918 10.438 0.666 1.00 0.00 O ATOM 333 CB LYS A 22 11.503 10.627 -0.795 1.00 0.00 C ATOM 334 CG LYS A 22 10.965 11.810 0.020 1.00 0.00 C ATOM 335 CD LYS A 22 10.807 13.045 -0.880 1.00 0.00 C ATOM 336 CE LYS A 22 10.193 14.223 -0.106 1.00 0.00 C ATOM 337 NZ LYS A 22 9.716 15.295 -1.006 1.00 0.00 N ATOM 0 H LYS A 22 10.008 8.497 0.534 1.00 0.00 H new ATOM 0 HA LYS A 22 11.949 8.550 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.407 10.934 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.771 10.349 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.004 11.549 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.645 12.034 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.780 13.335 -1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.175 12.798 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.362 13.863 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.935 14.631 0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.235 16.029 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.526 15.715 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.051 14.896 -1.699 1.00 0.00 H new ATOM 351 N GLY A 23 13.451 8.446 1.606 1.00 0.00 N ATOM 352 CA GLY A 23 14.643 8.364 2.435 1.00 0.00 C ATOM 353 C GLY A 23 14.469 7.200 3.402 1.00 0.00 C ATOM 354 O GLY A 23 14.385 7.388 4.611 1.00 0.00 O ATOM 0 H GLY A 23 12.850 7.625 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.528 8.215 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.790 9.295 2.983 1.00 0.00 H new ATOM 358 N GLY A 24 14.366 5.989 2.852 1.00 0.00 N ATOM 359 CA GLY A 24 14.072 4.790 3.609 1.00 0.00 C ATOM 360 C GLY A 24 14.426 3.575 2.763 1.00 0.00 C ATOM 361 O GLY A 24 15.136 3.697 1.766 1.00 0.00 O ATOM 0 H GLY A 24 14.488 5.820 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.642 4.781 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.017 4.765 3.882 1.00 0.00 H new ATOM 365 N LYS A 25 13.930 2.409 3.172 1.00 0.00 N ATOM 366 CA LYS A 25 14.162 1.124 2.547 1.00 0.00 C ATOM 367 C LYS A 25 12.833 0.374 2.485 1.00 0.00 C ATOM 368 O LYS A 25 11.799 0.933 2.846 1.00 0.00 O ATOM 369 CB LYS A 25 15.214 0.367 3.371 1.00 0.00 C ATOM 370 CG LYS A 25 14.826 0.211 4.850 1.00 0.00 C ATOM 371 CD LYS A 25 15.868 -0.655 5.570 1.00 0.00 C ATOM 372 CE LYS A 25 15.665 -0.657 7.092 1.00 0.00 C ATOM 373 NZ LYS A 25 16.013 0.641 7.711 1.00 0.00 N ATOM 0 H LYS A 25 13.326 2.340 3.991 1.00 0.00 H new ATOM 0 HA LYS A 25 14.541 1.230 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.366 -0.621 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.166 0.894 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.763 1.190 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.840 -0.247 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.810 -1.677 5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.867 -0.287 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.625 -0.896 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.276 -1.443 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.973 0.554 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.974 0.916 7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.337 1.367 7.399 1.00 0.00 H new ATOM 387 N HIS A 26 12.883 -0.892 2.066 1.00 0.00 N ATOM 388 CA HIS A 26 11.735 -1.782 2.081 1.00 0.00 C ATOM 389 C HIS A 26 11.537 -2.287 3.524 1.00 0.00 C ATOM 390 O HIS A 26 11.117 -1.530 4.392 1.00 0.00 O ATOM 391 CB HIS A 26 11.959 -2.903 1.039 1.00 0.00 C ATOM 392 CG HIS A 26 12.394 -2.447 -0.332 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.257 -3.139 -1.154 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.158 -1.233 -0.918 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.523 -2.360 -2.216 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.877 -1.189 -2.115 1.00 0.00 N ATOM 0 H HIS A 26 13.732 -1.326 1.705 1.00 0.00 H new ATOM 0 HA HIS A 26 10.812 -1.279 1.793 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.710 -3.590 1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.033 -3.468 0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.528 -0.449 -0.525 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.167 -2.638 -3.037 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.905 -0.417 -2.782 1.00 0.00 H new ATOM 404 N LYS A 27 11.935 -3.538 3.791 1.00 0.00 N ATOM 405 CA LYS A 27 11.847 -4.254 5.058 1.00 0.00 C ATOM 406 C LYS A 27 10.438 -4.809 5.243 1.00 0.00 C ATOM 407 O LYS A 27 9.663 -4.311 6.050 1.00 0.00 O ATOM 408 CB LYS A 27 12.350 -3.446 6.269 1.00 0.00 C ATOM 409 CG LYS A 27 12.536 -4.386 7.476 1.00 0.00 C ATOM 410 CD LYS A 27 13.049 -3.652 8.722 1.00 0.00 C ATOM 411 CE LYS A 27 11.978 -2.720 9.318 1.00 0.00 C ATOM 412 NZ LYS A 27 11.564 -3.123 10.677 1.00 0.00 N ATOM 0 H LYS A 27 12.359 -4.116 3.065 1.00 0.00 H new ATOM 0 HA LYS A 27 12.539 -5.095 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.294 -2.958 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.638 -2.658 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.585 -4.866 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.237 -5.178 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.355 -4.381 9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.934 -3.070 8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.365 -1.701 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.106 -2.711 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.842 -2.463 11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.169 -4.085 10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.389 -3.106 11.310 1.00 0.00 H new ATOM 426 N THR A 28 10.141 -5.880 4.504 1.00 0.00 N ATOM 427 CA THR A 28 8.890 -6.619 4.621 1.00 0.00 C ATOM 428 C THR A 28 7.716 -5.812 4.060 1.00 0.00 C ATOM 429 O THR A 28 6.574 -6.105 4.378 1.00 0.00 O ATOM 430 CB THR A 28 8.666 -7.089 6.077 1.00 0.00 C ATOM 431 OG1 THR A 28 9.904 -7.498 6.636 1.00 0.00 O ATOM 432 CG2 THR A 28 7.703 -8.279 6.187 1.00 0.00 C ATOM 0 H THR A 28 10.773 -6.260 3.800 1.00 0.00 H new ATOM 0 HA THR A 28 8.956 -7.520 4.010 1.00 0.00 H new ATOM 0 HB THR A 28 8.231 -6.242 6.608 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.764 -7.795 7.559 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.589 -8.559 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.732 -8.000 5.778 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.103 -9.124 5.627 1.00 0.00 H new ATOM 440 N GLY A 29 7.976 -4.849 3.175 1.00 0.00 N ATOM 441 CA GLY A 29 6.971 -4.046 2.516 1.00 0.00 C ATOM 442 C GLY A 29 7.752 -3.120 1.593 1.00 0.00 C ATOM 443 O GLY A 29 8.800 -2.619 1.994 1.00 0.00 O ATOM 0 H GLY A 29 8.926 -4.606 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.274 -4.668 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.382 -3.480 3.238 1.00 0.00 H new ATOM 447 N PRO A 30 7.363 -2.973 0.322 1.00 0.00 N ATOM 448 CA PRO A 30 8.072 -2.094 -0.590 1.00 0.00 C ATOM 449 C PRO A 30 7.710 -0.652 -0.243 1.00 0.00 C ATOM 450 O PRO A 30 6.534 -0.338 -0.067 1.00 0.00 O ATOM 451 CB PRO A 30 7.586 -2.490 -1.983 1.00 0.00 C ATOM 452 CG PRO A 30 6.174 -3.011 -1.716 1.00 0.00 C ATOM 453 CD PRO A 30 6.288 -3.676 -0.351 1.00 0.00 C ATOM 0 HA PRO A 30 9.157 -2.177 -0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.581 -1.640 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.221 -3.255 -2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.443 -2.202 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.857 -3.719 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.355 -3.596 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.511 -4.739 -0.447 1.00 0.00 H new ATOM 461 N ASN A 31 8.696 0.239 -0.146 1.00 0.00 N ATOM 462 CA ASN A 31 8.412 1.663 -0.043 1.00 0.00 C ATOM 463 C ASN A 31 7.507 2.072 -1.212 1.00 0.00 C ATOM 464 O ASN A 31 7.809 1.785 -2.368 1.00 0.00 O ATOM 465 CB ASN A 31 9.704 2.492 0.019 1.00 0.00 C ATOM 466 CG ASN A 31 10.521 2.470 -1.272 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.658 1.437 -1.918 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.104 3.604 -1.649 1.00 0.00 N ATOM 0 H ASN A 31 9.688 0.000 -0.137 1.00 0.00 H new ATOM 0 HA ASN A 31 7.887 1.866 0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.449 3.525 0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.323 2.119 0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.679 3.626 -2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.976 4.452 -1.096 1.00 0.00 H new ATOM 475 N LEU A 32 6.363 2.687 -0.905 1.00 0.00 N ATOM 476 CA LEU A 32 5.266 2.914 -1.839 1.00 0.00 C ATOM 477 C LEU A 32 5.573 4.081 -2.791 1.00 0.00 C ATOM 478 O LEU A 32 4.809 5.042 -2.898 1.00 0.00 O ATOM 479 CB LEU A 32 3.979 3.170 -1.037 1.00 0.00 C ATOM 480 CG LEU A 32 3.635 2.102 0.019 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.447 2.579 0.856 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.271 0.766 -0.633 1.00 0.00 C ATOM 0 H LEU A 32 6.172 3.050 0.029 1.00 0.00 H new ATOM 0 HA LEU A 32 5.134 2.029 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.068 4.135 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.146 3.248 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 32 4.514 1.955 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.202 1.824 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.705 3.513 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.586 2.740 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.034 0.036 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.405 0.901 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.114 0.408 -1.224 1.00 0.00 H new ATOM 494 N HIS A 33 6.708 4.008 -3.486 1.00 0.00 N ATOM 495 CA HIS A 33 7.269 5.097 -4.265 1.00 0.00 C ATOM 496 C HIS A 33 6.566 5.174 -5.624 1.00 0.00 C ATOM 497 O HIS A 33 7.144 4.852 -6.662 1.00 0.00 O ATOM 498 CB HIS A 33 8.789 4.896 -4.354 1.00 0.00 C ATOM 499 CG HIS A 33 9.557 6.170 -4.596 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.983 7.044 -3.622 1.00 0.00 N ATOM 501 CD2 HIS A 33 10.014 6.634 -5.801 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.686 8.015 -4.230 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.734 7.808 -5.555 1.00 0.00 N ATOM 0 H HIS A 33 7.275 3.161 -3.519 1.00 0.00 H new ATOM 0 HA HIS A 33 7.101 6.063 -3.790 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.141 4.441 -3.428 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.007 4.193 -5.158 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.849 6.177 -6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.149 8.848 -3.722 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.203 8.392 -6.247 1.00 0.00 H new ATOM 511 N GLY A 34 5.297 5.585 -5.597 1.00 0.00 N ATOM 512 CA GLY A 34 4.450 5.699 -6.773 1.00 0.00 C ATOM 513 C GLY A 34 3.546 4.473 -6.880 1.00 0.00 C ATOM 514 O GLY A 34 4.026 3.374 -7.150 1.00 0.00 O ATOM 0 H GLY A 34 4.824 5.853 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.845 6.604 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.065 5.788 -7.668 1.00 0.00 H new ATOM 518 N LEU A 35 2.240 4.653 -6.673 1.00 0.00 N ATOM 519 CA LEU A 35 1.245 3.591 -6.751 1.00 0.00 C ATOM 520 C LEU A 35 0.305 3.933 -7.908 1.00 0.00 C ATOM 521 O LEU A 35 0.390 3.339 -8.979 1.00 0.00 O ATOM 522 CB LEU A 35 0.496 3.449 -5.411 1.00 0.00 C ATOM 523 CG LEU A 35 1.409 3.220 -4.197 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.604 3.432 -2.903 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.027 1.816 -4.244 1.00 0.00 C ATOM 0 H LEU A 35 1.840 5.562 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 35 1.714 2.625 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.095 4.349 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.204 2.617 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 35 2.228 3.939 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.251 3.270 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.216 4.450 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.226 2.726 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.670 1.672 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.234 1.069 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.617 1.708 -5.154 1.00 0.00 H new ATOM 537 N PHE A 36 -0.546 4.939 -7.693 1.00 0.00 N ATOM 538 CA PHE A 36 -1.500 5.462 -8.654 1.00 0.00 C ATOM 539 C PHE A 36 -0.827 5.724 -9.993 1.00 0.00 C ATOM 540 O PHE A 36 0.017 6.612 -10.094 1.00 0.00 O ATOM 541 CB PHE A 36 -2.131 6.738 -8.082 1.00 0.00 C ATOM 542 CG PHE A 36 -2.859 6.495 -6.773 1.00 0.00 C ATOM 543 CD1 PHE A 36 -4.150 5.941 -6.794 1.00 0.00 C ATOM 544 CD2 PHE A 36 -2.183 6.633 -5.547 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.762 5.547 -5.595 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.792 6.215 -4.352 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.114 5.744 -4.370 1.00 0.00 C ATOM 0 H PHE A 36 -0.585 5.429 -6.799 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.286 4.727 -8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.353 7.485 -7.927 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.829 7.151 -8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.671 5.819 -7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.192 7.062 -5.524 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.740 5.089 -5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.244 6.256 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.628 5.535 -3.444 1.00 0.00 H new ATOM 557 N GLY A 37 -1.199 4.950 -11.016 1.00 0.00 N ATOM 558 CA GLY A 37 -0.659 5.148 -12.355 1.00 0.00 C ATOM 559 C GLY A 37 0.604 4.326 -12.623 1.00 0.00 C ATOM 560 O GLY A 37 1.185 4.462 -13.697 1.00 0.00 O ATOM 0 H GLY A 37 -1.869 4.185 -10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.420 4.883 -13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.434 6.205 -12.496 1.00 0.00 H new ATOM 564 N ARG A 38 1.040 3.475 -11.683 1.00 0.00 N ATOM 565 CA ARG A 38 2.261 2.689 -11.810 1.00 0.00 C ATOM 566 C ARG A 38 1.909 1.202 -11.860 1.00 0.00 C ATOM 567 O ARG A 38 1.313 0.666 -10.928 1.00 0.00 O ATOM 568 CB ARG A 38 3.232 3.027 -10.661 1.00 0.00 C ATOM 569 CG ARG A 38 4.681 3.105 -11.165 1.00 0.00 C ATOM 570 CD ARG A 38 5.621 3.706 -10.108 1.00 0.00 C ATOM 571 NE ARG A 38 6.708 2.789 -9.733 1.00 0.00 N ATOM 572 CZ ARG A 38 6.609 1.715 -8.929 1.00 0.00 C ATOM 573 NH1 ARG A 38 5.498 1.464 -8.231 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.642 0.876 -8.838 1.00 0.00 N ATOM 0 H ARG A 38 0.544 3.316 -10.806 1.00 0.00 H new ATOM 0 HA ARG A 38 2.771 2.938 -12.741 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.949 3.978 -10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.155 2.269 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.027 2.107 -11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.719 3.710 -12.071 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.048 4.633 -10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.045 3.964 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 38 7.630 2.987 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.699 2.094 -8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.449 0.642 -7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.492 1.053 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.582 0.057 -8.233 1.00 0.00 H new ATOM 588 N LYS A 39 2.265 0.539 -12.962 1.00 0.00 N ATOM 589 CA LYS A 39 2.068 -0.891 -13.135 1.00 0.00 C ATOM 590 C LYS A 39 2.887 -1.666 -12.089 1.00 0.00 C ATOM 591 O LYS A 39 4.116 -1.621 -12.125 1.00 0.00 O ATOM 592 CB LYS A 39 2.426 -1.291 -14.582 1.00 0.00 C ATOM 593 CG LYS A 39 3.850 -0.912 -15.034 1.00 0.00 C ATOM 594 CD LYS A 39 3.888 0.167 -16.128 1.00 0.00 C ATOM 595 CE LYS A 39 5.293 0.776 -16.274 1.00 0.00 C ATOM 596 NZ LYS A 39 6.337 -0.230 -16.571 1.00 0.00 N ATOM 0 H LYS A 39 2.703 0.990 -13.765 1.00 0.00 H new ATOM 0 HA LYS A 39 1.021 -1.148 -12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.304 -2.369 -14.685 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.711 -0.824 -15.259 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.414 -0.560 -14.170 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.354 -1.806 -15.401 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.578 -0.267 -17.079 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.173 0.954 -15.889 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.278 1.521 -17.070 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.553 1.299 -15.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.267 0.235 -16.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.342 -0.956 -15.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.137 -0.677 -17.489 1.00 0.00 H new ATOM 610 N THR A 40 2.238 -2.371 -11.156 1.00 0.00 N ATOM 611 CA THR A 40 2.977 -3.260 -10.270 1.00 0.00 C ATOM 612 C THR A 40 3.301 -4.565 -10.997 1.00 0.00 C ATOM 613 O THR A 40 3.184 -4.671 -12.216 1.00 0.00 O ATOM 614 CB THR A 40 2.298 -3.460 -8.914 1.00 0.00 C ATOM 615 OG1 THR A 40 3.334 -3.777 -8.000 1.00 0.00 O ATOM 616 CG2 THR A 40 1.216 -4.547 -8.860 1.00 0.00 C ATOM 0 H THR A 40 1.230 -2.342 -11.001 1.00 0.00 H new ATOM 0 HA THR A 40 3.923 -2.781 -10.017 1.00 0.00 H new ATOM 0 HB THR A 40 1.760 -2.542 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.957 -3.879 -7.101 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.804 -4.601 -7.852 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.421 -4.304 -9.565 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.654 -5.509 -9.125 1.00 0.00 H new ATOM 624 N GLY A 41 3.697 -5.568 -10.221 1.00 0.00 N ATOM 625 CA GLY A 41 4.113 -6.862 -10.724 1.00 0.00 C ATOM 626 C GLY A 41 5.510 -6.774 -11.352 1.00 0.00 C ATOM 627 O GLY A 41 5.886 -7.627 -12.154 1.00 0.00 O ATOM 0 H GLY A 41 3.737 -5.498 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.119 -7.589 -9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.397 -7.217 -11.465 1.00 0.00 H new ATOM 631 N GLN A 42 6.273 -5.728 -11.002 1.00 0.00 N ATOM 632 CA GLN A 42 7.592 -5.433 -11.539 1.00 0.00 C ATOM 633 C GLN A 42 8.242 -4.307 -10.722 1.00 0.00 C ATOM 634 O GLN A 42 7.919 -3.136 -10.904 1.00 0.00 O ATOM 635 CB GLN A 42 7.524 -5.081 -13.038 1.00 0.00 C ATOM 636 CG GLN A 42 6.387 -4.120 -13.422 1.00 0.00 C ATOM 637 CD GLN A 42 6.531 -3.636 -14.860 1.00 0.00 C ATOM 638 OE1 GLN A 42 6.724 -2.447 -15.121 1.00 0.00 O ATOM 639 NE2 GLN A 42 6.429 -4.547 -15.820 1.00 0.00 N ATOM 0 H GLN A 42 5.968 -5.043 -10.310 1.00 0.00 H new ATOM 0 HA GLN A 42 8.213 -6.325 -11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.473 -4.636 -13.336 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.411 -6.003 -13.609 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.427 -4.622 -13.300 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.388 -3.264 -12.747 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.269 -5.525 -15.580 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.510 -4.269 -16.798 1.00 0.00 H new ATOM 648 N ALA A 43 9.166 -4.659 -9.826 1.00 0.00 N ATOM 649 CA ALA A 43 10.050 -3.722 -9.136 1.00 0.00 C ATOM 650 C ALA A 43 11.504 -4.064 -9.474 1.00 0.00 C ATOM 651 O ALA A 43 11.823 -5.246 -9.604 1.00 0.00 O ATOM 652 CB ALA A 43 9.844 -3.799 -7.620 1.00 0.00 C ATOM 0 H ALA A 43 9.323 -5.629 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 43 9.817 -2.709 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.512 -3.093 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.810 -3.549 -7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.063 -4.809 -7.274 1.00 0.00 H new ATOM 658 N PRO A 44 12.401 -3.071 -9.590 1.00 0.00 N ATOM 659 CA PRO A 44 13.816 -3.305 -9.829 1.00 0.00 C ATOM 660 C PRO A 44 14.483 -3.835 -8.552 1.00 0.00 C ATOM 661 O PRO A 44 15.256 -3.132 -7.906 1.00 0.00 O ATOM 662 CB PRO A 44 14.368 -1.948 -10.281 1.00 0.00 C ATOM 663 CG PRO A 44 13.480 -0.949 -9.540 1.00 0.00 C ATOM 664 CD PRO A 44 12.119 -1.644 -9.529 1.00 0.00 C ATOM 0 HA PRO A 44 14.009 -4.063 -10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.418 -1.830 -10.013 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.299 -1.824 -11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.844 -0.757 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.439 0.012 -10.052 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.560 -1.394 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.512 -1.329 -10.378 1.00 0.00 H new ATOM 672 N GLY A 45 14.178 -5.084 -8.191 1.00 0.00 N ATOM 673 CA GLY A 45 14.769 -5.784 -7.061 1.00 0.00 C ATOM 674 C GLY A 45 13.694 -6.563 -6.311 1.00 0.00 C ATOM 675 O GLY A 45 13.273 -7.634 -6.745 1.00 0.00 O ATOM 0 H GLY A 45 13.493 -5.647 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.546 -6.464 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.248 -5.070 -6.390 1.00 0.00 H new ATOM 679 N PHE A 46 13.230 -6.023 -5.182 1.00 0.00 N ATOM 680 CA PHE A 46 12.253 -6.692 -4.336 1.00 0.00 C ATOM 681 C PHE A 46 10.873 -6.515 -4.960 1.00 0.00 C ATOM 682 O PHE A 46 10.076 -5.689 -4.524 1.00 0.00 O ATOM 683 CB PHE A 46 12.335 -6.162 -2.898 1.00 0.00 C ATOM 684 CG PHE A 46 11.187 -6.555 -1.980 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.784 -7.901 -1.850 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.413 -5.542 -1.382 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.615 -8.220 -1.132 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.267 -5.874 -0.645 1.00 0.00 C ATOM 689 CZ PHE A 46 8.857 -7.207 -0.529 1.00 0.00 C ATOM 0 H PHE A 46 13.524 -5.111 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 46 12.462 -7.760 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.267 -6.513 -2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.390 -5.074 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.372 -8.687 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.703 -4.507 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.301 -9.250 -1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.696 -5.094 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.962 -7.454 0.022 1.00 0.00 H new ATOM 699 N THR A 47 10.580 -7.318 -5.980 1.00 0.00 N ATOM 700 CA THR A 47 9.271 -7.333 -6.615 1.00 0.00 C ATOM 701 C THR A 47 8.320 -8.294 -5.893 1.00 0.00 C ATOM 702 O THR A 47 7.513 -8.980 -6.515 1.00 0.00 O ATOM 703 CB THR A 47 9.433 -7.528 -8.127 1.00 0.00 C ATOM 704 OG1 THR A 47 8.273 -7.107 -8.828 1.00 0.00 O ATOM 705 CG2 THR A 47 9.840 -8.947 -8.515 1.00 0.00 C ATOM 0 H THR A 47 11.245 -7.975 -6.387 1.00 0.00 H new ATOM 0 HA THR A 47 8.772 -6.369 -6.513 1.00 0.00 H new ATOM 0 HB THR A 47 10.263 -6.889 -8.428 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.479 -7.510 -8.419 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.937 -9.014 -9.599 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.795 -9.192 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.080 -9.650 -8.174 1.00 0.00 H new ATOM 713 N TYR A 48 8.361 -8.255 -4.556 1.00 0.00 N ATOM 714 CA TYR A 48 7.366 -8.880 -3.698 1.00 0.00 C ATOM 715 C TYR A 48 7.381 -10.408 -3.823 1.00 0.00 C ATOM 716 O TYR A 48 8.254 -10.986 -4.470 1.00 0.00 O ATOM 717 CB TYR A 48 5.974 -8.289 -3.962 1.00 0.00 C ATOM 718 CG TYR A 48 5.910 -6.962 -4.689 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.626 -5.837 -4.234 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.265 -6.920 -5.933 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.711 -4.688 -5.044 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.257 -5.740 -6.674 1.00 0.00 C ATOM 723 CZ TYR A 48 5.971 -4.618 -6.236 1.00 0.00 C ATOM 724 OH TYR A 48 6.022 -3.519 -7.035 1.00 0.00 O ATOM 0 H TYR A 48 9.100 -7.779 -4.039 1.00 0.00 H new ATOM 0 HA TYR A 48 7.627 -8.657 -2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.402 -9.017 -4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.469 -8.173 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.108 -5.856 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.774 -7.802 -6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.343 -3.863 -4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.695 -5.690 -7.595 1.00 0.00 H new ATOM 0 HH TYR A 48 5.162 -3.406 -7.491 1.00 0.00 H new ATOM 734 N THR A 49 6.410 -11.072 -3.197 1.00 0.00 N ATOM 735 CA THR A 49 6.127 -12.470 -3.484 1.00 0.00 C ATOM 736 C THR A 49 5.520 -12.591 -4.882 1.00 0.00 C ATOM 737 O THR A 49 4.811 -11.688 -5.319 1.00 0.00 O ATOM 738 CB THR A 49 5.168 -13.049 -2.437 1.00 0.00 C ATOM 739 OG1 THR A 49 4.001 -12.259 -2.313 1.00 0.00 O ATOM 740 CG2 THR A 49 5.860 -13.156 -1.081 1.00 0.00 C ATOM 0 H THR A 49 5.806 -10.659 -2.486 1.00 0.00 H new ATOM 0 HA THR A 49 7.057 -13.037 -3.445 1.00 0.00 H new ATOM 0 HB THR A 49 4.876 -14.044 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.409 -12.654 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.165 -13.569 -0.350 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.728 -13.810 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.182 -12.166 -0.758 1.00 0.00 H new ATOM 748 N ASP A 50 5.756 -13.729 -5.547 1.00 0.00 N ATOM 749 CA ASP A 50 5.039 -14.242 -6.714 1.00 0.00 C ATOM 750 C ASP A 50 3.569 -13.825 -6.723 1.00 0.00 C ATOM 751 O ASP A 50 3.062 -13.416 -7.759 1.00 0.00 O ATOM 752 CB ASP A 50 5.177 -15.771 -6.762 1.00 0.00 C ATOM 753 CG ASP A 50 4.418 -16.476 -5.643 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.372 -15.893 -4.535 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.884 -17.566 -5.930 1.00 0.00 O ATOM 0 H ASP A 50 6.507 -14.357 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 50 5.487 -13.806 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.813 -16.133 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.232 -16.037 -6.700 1.00 0.00 H new ATOM 760 N ALA A 51 2.887 -13.909 -5.588 1.00 0.00 N ATOM 761 CA ALA A 51 1.473 -13.601 -5.478 1.00 0.00 C ATOM 762 C ALA A 51 1.147 -12.155 -5.871 1.00 0.00 C ATOM 763 O ALA A 51 0.160 -11.931 -6.575 1.00 0.00 O ATOM 764 CB ALA A 51 0.996 -13.970 -4.070 1.00 0.00 C ATOM 0 H ALA A 51 3.310 -14.198 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 51 0.920 -14.203 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.066 -13.743 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.156 -15.034 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.557 -13.395 -3.333 1.00 0.00 H new ATOM 770 N ASN A 52 1.963 -11.175 -5.462 1.00 0.00 N ATOM 771 CA ASN A 52 1.773 -9.793 -5.916 1.00 0.00 C ATOM 772 C ASN A 52 2.513 -9.554 -7.235 1.00 0.00 C ATOM 773 O ASN A 52 2.024 -8.832 -8.099 1.00 0.00 O ATOM 774 CB ASN A 52 2.178 -8.775 -4.841 1.00 0.00 C ATOM 775 CG ASN A 52 1.816 -7.333 -5.231 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.870 -7.094 -5.977 1.00 0.00 O ATOM 777 ND2 ASN A 52 2.564 -6.356 -4.726 1.00 0.00 N ATOM 0 H ASN A 52 2.750 -11.311 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 52 0.708 -9.644 -6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.687 -9.028 -3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.252 -8.842 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.357 -5.384 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.345 -6.579 -4.108 1.00 0.00 H new ATOM 784 N LYS A 53 3.668 -10.201 -7.438 1.00 0.00 N ATOM 785 CA LYS A 53 4.424 -10.120 -8.684 1.00 0.00 C ATOM 786 C LYS A 53 3.503 -10.478 -9.854 1.00 0.00 C ATOM 787 O LYS A 53 3.531 -9.865 -10.915 1.00 0.00 O ATOM 788 CB LYS A 53 5.598 -11.096 -8.643 1.00 0.00 C ATOM 789 CG LYS A 53 6.498 -11.025 -9.890 1.00 0.00 C ATOM 790 CD LYS A 53 6.869 -12.429 -10.393 1.00 0.00 C ATOM 791 CE LYS A 53 5.686 -13.112 -11.106 1.00 0.00 C ATOM 792 NZ LYS A 53 6.001 -14.499 -11.507 1.00 0.00 N ATOM 0 H LYS A 53 4.103 -10.798 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 53 4.807 -9.107 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.200 -10.891 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.214 -12.111 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.985 -10.477 -10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.406 -10.469 -9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.714 -12.358 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.190 -13.043 -9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.819 -13.115 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.413 -12.534 -11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.177 -14.919 -11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.812 -14.496 -12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.236 -15.059 -10.663 1.00 0.00 H new ATOM 806 N ASN A 54 2.694 -11.515 -9.642 1.00 0.00 N ATOM 807 CA ASN A 54 1.772 -12.066 -10.609 1.00 0.00 C ATOM 808 C ASN A 54 0.681 -11.051 -10.979 1.00 0.00 C ATOM 809 O ASN A 54 0.047 -11.185 -12.020 1.00 0.00 O ATOM 810 CB ASN A 54 1.136 -13.341 -10.034 1.00 0.00 C ATOM 811 CG ASN A 54 0.044 -13.911 -10.933 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.141 -13.735 -10.663 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.431 -14.614 -11.996 1.00 0.00 N ATOM 0 H ASN A 54 2.669 -12.009 -8.750 1.00 0.00 H new ATOM 0 HA ASN A 54 2.323 -12.307 -11.518 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.910 -14.094 -9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.715 -13.122 -9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.266 -15.026 -12.616 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.424 -14.740 -12.190 1.00 0.00 H new ATOM 820 N LYS A 55 0.398 -10.086 -10.093 1.00 0.00 N ATOM 821 CA LYS A 55 -0.857 -9.345 -10.120 1.00 0.00 C ATOM 822 C LYS A 55 -0.954 -8.379 -11.306 1.00 0.00 C ATOM 823 O LYS A 55 -1.911 -8.465 -12.069 1.00 0.00 O ATOM 824 CB LYS A 55 -1.080 -8.659 -8.761 1.00 0.00 C ATOM 825 CG LYS A 55 -2.386 -7.861 -8.635 1.00 0.00 C ATOM 826 CD LYS A 55 -3.648 -8.632 -8.213 1.00 0.00 C ATOM 827 CE LYS A 55 -4.126 -9.706 -9.199 1.00 0.00 C ATOM 828 NZ LYS A 55 -3.617 -11.052 -8.856 1.00 0.00 N ATOM 0 H LYS A 55 1.032 -9.804 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.671 -10.053 -10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.062 -9.420 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.243 -7.987 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.223 -7.060 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.586 -7.388 -9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.458 -9.106 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.456 -7.917 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.216 -9.725 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.800 -9.443 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.715 -11.680 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.614 -10.986 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.164 -11.437 -8.060 1.00 0.00 H new ATOM 842 N GLY A 56 -0.013 -7.438 -11.432 1.00 0.00 N ATOM 843 CA GLY A 56 0.035 -6.514 -12.563 1.00 0.00 C ATOM 844 C GLY A 56 -1.203 -5.614 -12.682 1.00 0.00 C ATOM 845 O GLY A 56 -2.034 -5.802 -13.567 1.00 0.00 O ATOM 0 H GLY A 56 0.735 -7.298 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.921 -5.886 -12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.146 -7.087 -13.484 1.00 0.00 H new ATOM 849 N ILE A 57 -1.308 -4.597 -11.820 1.00 0.00 N ATOM 850 CA ILE A 57 -2.352 -3.587 -11.817 1.00 0.00 C ATOM 851 C ILE A 57 -1.729 -2.211 -11.596 1.00 0.00 C ATOM 852 O ILE A 57 -0.612 -2.104 -11.107 1.00 0.00 O ATOM 853 CB ILE A 57 -3.322 -3.843 -10.665 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.582 -4.058 -9.333 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.276 -5.003 -10.967 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.224 -3.205 -8.251 1.00 0.00 C ATOM 0 H ILE A 57 -0.630 -4.456 -11.071 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.876 -3.628 -12.772 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.930 -2.944 -10.559 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.619 -5.110 -9.051 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.530 -3.794 -9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.948 -5.151 -10.122 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.859 -4.772 -11.858 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.700 -5.913 -11.136 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.699 -3.358 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.164 -2.154 -8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.269 -3.491 -8.135 1.00 0.00 H new ATOM 868 N THR A 58 -2.479 -1.156 -11.903 1.00 0.00 N ATOM 869 CA THR A 58 -2.015 0.225 -11.967 1.00 0.00 C ATOM 870 C THR A 58 -2.132 0.968 -10.621 1.00 0.00 C ATOM 871 O THR A 58 -2.201 2.199 -10.607 1.00 0.00 O ATOM 872 CB THR A 58 -2.876 0.883 -13.060 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.234 -0.102 -14.020 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.166 2.047 -13.747 1.00 0.00 C ATOM 0 H THR A 58 -3.471 -1.246 -12.124 1.00 0.00 H new ATOM 0 HA THR A 58 -0.951 0.267 -12.198 1.00 0.00 H new ATOM 0 HB THR A 58 -3.765 1.295 -12.582 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.784 0.308 -14.720 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.819 2.473 -14.508 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.922 2.811 -13.009 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.249 1.689 -14.215 1.00 0.00 H new ATOM 882 N TRP A 59 -2.221 0.207 -9.520 1.00 0.00 N ATOM 883 CA TRP A 59 -2.572 0.646 -8.169 1.00 0.00 C ATOM 884 C TRP A 59 -3.454 1.888 -8.142 1.00 0.00 C ATOM 885 O TRP A 59 -3.117 2.907 -7.548 1.00 0.00 O ATOM 886 CB TRP A 59 -1.327 0.775 -7.300 1.00 0.00 C ATOM 887 CG TRP A 59 -0.750 -0.515 -6.827 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.500 -0.947 -7.083 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.367 -1.529 -5.978 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.675 -2.188 -6.513 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.448 -2.607 -5.829 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.613 -1.653 -5.324 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.755 -3.758 -5.086 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.905 -2.772 -4.522 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.980 -3.825 -4.404 1.00 0.00 C ATOM 0 H TRP A 59 -2.037 -0.796 -9.556 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.194 -0.135 -7.732 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.564 1.312 -7.863 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.571 1.386 -6.431 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.246 -0.406 -7.646 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.534 -2.734 -6.588 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.354 -0.876 -5.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.058 -4.581 -5.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.846 -2.823 -3.994 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.212 -4.683 -3.790 1.00 0.00 H new ATOM 906 N LYS A 60 -4.623 1.763 -8.762 1.00 0.00 N ATOM 907 CA LYS A 60 -5.606 2.827 -8.801 1.00 0.00 C ATOM 908 C LYS A 60 -6.429 2.829 -7.509 1.00 0.00 C ATOM 909 O LYS A 60 -6.369 1.881 -6.719 1.00 0.00 O ATOM 910 CB LYS A 60 -6.512 2.633 -10.018 1.00 0.00 C ATOM 911 CG LYS A 60 -7.153 1.236 -10.042 1.00 0.00 C ATOM 912 CD LYS A 60 -6.669 0.328 -11.179 1.00 0.00 C ATOM 913 CE LYS A 60 -7.153 0.853 -12.540 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.081 -0.180 -13.591 1.00 0.00 N ATOM 0 H LYS A 60 -4.911 0.916 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.101 3.789 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.295 3.391 -10.011 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.932 2.782 -10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.952 0.743 -9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.234 1.349 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.580 0.276 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.038 -0.686 -11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.181 1.205 -12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.548 1.711 -12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.417 0.217 -14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.097 -0.498 -13.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.679 -0.988 -13.325 1.00 0.00 H new ATOM 928 N GLU A 61 -7.276 3.850 -7.345 1.00 0.00 N ATOM 929 CA GLU A 61 -8.158 4.010 -6.185 1.00 0.00 C ATOM 930 C GLU A 61 -9.395 3.105 -6.253 1.00 0.00 C ATOM 931 O GLU A 61 -10.513 3.525 -5.970 1.00 0.00 O ATOM 932 CB GLU A 61 -8.503 5.490 -5.957 1.00 0.00 C ATOM 933 CG GLU A 61 -9.099 6.258 -7.149 1.00 0.00 C ATOM 934 CD GLU A 61 -9.349 7.710 -6.749 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.077 8.042 -5.574 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.756 8.527 -7.599 1.00 0.00 O ATOM 0 H GLU A 61 -7.369 4.602 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.609 3.672 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.208 5.550 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.596 6.005 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.418 6.216 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.032 5.792 -7.465 1.00 0.00 H new ATOM 943 N GLU A 62 -9.160 1.837 -6.582 1.00 0.00 N ATOM 944 CA GLU A 62 -10.159 0.790 -6.687 1.00 0.00 C ATOM 945 C GLU A 62 -9.528 -0.445 -6.045 1.00 0.00 C ATOM 946 O GLU A 62 -9.925 -0.914 -4.978 1.00 0.00 O ATOM 947 CB GLU A 62 -10.513 0.548 -8.172 1.00 0.00 C ATOM 948 CG GLU A 62 -10.727 1.839 -8.983 1.00 0.00 C ATOM 949 CD GLU A 62 -11.045 1.535 -10.447 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.287 0.735 -11.044 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.023 2.119 -10.953 1.00 0.00 O ATOM 0 H GLU A 62 -8.220 1.501 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.092 1.050 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.715 -0.032 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.418 -0.057 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.542 2.414 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.832 2.459 -8.925 1.00 0.00 H new ATOM 958 N THR A 63 -8.450 -0.906 -6.676 1.00 0.00 N ATOM 959 CA THR A 63 -7.699 -2.072 -6.283 1.00 0.00 C ATOM 960 C THR A 63 -7.040 -1.842 -4.927 1.00 0.00 C ATOM 961 O THR A 63 -6.988 -2.753 -4.109 1.00 0.00 O ATOM 962 CB THR A 63 -6.677 -2.369 -7.381 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.959 -1.193 -7.726 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.375 -2.870 -8.650 1.00 0.00 C ATOM 0 H THR A 63 -8.070 -0.452 -7.506 1.00 0.00 H new ATOM 0 HA THR A 63 -8.353 -2.936 -6.168 1.00 0.00 H new ATOM 0 HB THR A 63 -6.000 -3.131 -6.994 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.308 -1.401 -8.429 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.630 -3.075 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.926 -3.783 -8.426 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.067 -2.108 -9.010 1.00 0.00 H new ATOM 972 N LEU A 64 -6.550 -0.623 -4.672 1.00 0.00 N ATOM 973 CA LEU A 64 -6.048 -0.266 -3.357 1.00 0.00 C ATOM 974 C LEU A 64 -7.128 -0.461 -2.291 1.00 0.00 C ATOM 975 O LEU A 64 -6.841 -0.999 -1.228 1.00 0.00 O ATOM 976 CB LEU A 64 -5.528 1.181 -3.376 1.00 0.00 C ATOM 977 CG LEU A 64 -3.994 1.269 -3.260 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.406 2.017 -4.452 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.613 2.000 -1.976 1.00 0.00 C ATOM 0 H LEU A 64 -6.494 0.125 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.219 -0.926 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.846 1.664 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.982 1.736 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.594 0.255 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.322 2.068 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.660 1.492 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.815 3.027 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.527 2.059 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.031 3.007 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.008 1.457 -1.117 1.00 0.00 H new ATOM 991 N MET A 65 -8.368 -0.039 -2.558 1.00 0.00 N ATOM 992 CA MET A 65 -9.440 -0.157 -1.586 1.00 0.00 C ATOM 993 C MET A 65 -9.726 -1.626 -1.276 1.00 0.00 C ATOM 994 O MET A 65 -9.836 -1.997 -0.106 1.00 0.00 O ATOM 995 CB MET A 65 -10.699 0.563 -2.082 1.00 0.00 C ATOM 996 CG MET A 65 -10.390 2.002 -2.519 1.00 0.00 C ATOM 997 SD MET A 65 -11.727 3.202 -2.302 1.00 0.00 S ATOM 998 CE MET A 65 -11.825 3.186 -0.501 1.00 0.00 C ATOM 0 H MET A 65 -8.646 0.387 -3.442 1.00 0.00 H new ATOM 0 HA MET A 65 -9.124 0.324 -0.660 1.00 0.00 H new ATOM 0 HB2 MET A 65 -11.128 0.012 -2.919 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.448 0.575 -1.290 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.521 2.351 -1.961 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.108 1.988 -3.572 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.258 4.123 -0.152 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.451 2.354 -0.178 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.825 3.071 -0.083 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.863 -2.453 -2.318 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.077 -3.880 -2.165 1.00 0.00 C ATOM 1010 C GLU A 66 -8.954 -4.513 -1.339 1.00 0.00 C ATOM 1011 O GLU A 66 -9.208 -5.227 -0.372 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.147 -4.517 -3.555 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.587 -4.695 -4.047 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.650 -5.479 -5.355 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.566 -5.767 -5.909 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.787 -5.799 -5.762 1.00 0.00 O ATOM 0 H GLU A 66 -9.827 -2.143 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.013 -4.052 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.598 -3.896 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.652 -5.488 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.169 -5.213 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.046 -3.716 -4.188 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.707 -4.258 -1.734 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.534 -4.809 -1.080 1.00 0.00 C ATOM 1025 C TYR A 67 -6.540 -4.436 0.393 1.00 0.00 C ATOM 1026 O TYR A 67 -6.532 -5.315 1.241 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.277 -4.281 -1.775 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.960 -4.871 -1.300 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.792 -6.264 -1.190 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.850 -4.033 -1.108 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.540 -6.819 -0.876 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.588 -4.595 -0.865 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.425 -5.983 -0.737 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.177 -6.521 -0.621 1.00 0.00 O ATOM 0 H TYR A 67 -7.487 -3.655 -2.527 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.545 -5.897 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.371 -4.467 -2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.238 -3.200 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.638 -6.916 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.967 -2.960 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.438 -7.886 -0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.727 -3.949 -0.775 1.00 0.00 H new ATOM 0 HH TYR A 67 0.235 -6.215 0.214 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.565 -3.145 0.713 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.510 -2.714 2.103 1.00 0.00 C ATOM 1046 C LEU A 68 -7.683 -3.252 2.920 1.00 0.00 C ATOM 1047 O LEU A 68 -7.497 -3.592 4.088 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.369 -1.190 2.229 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.910 -0.702 2.237 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.096 -1.373 3.350 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.203 -0.909 0.895 1.00 0.00 C ATOM 0 H LEU A 68 -6.623 -2.386 0.034 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.607 -3.150 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.897 -0.716 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.857 -0.864 3.147 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.963 0.370 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.071 -1.004 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.541 -1.140 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.096 -2.453 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.178 -0.545 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.196 -1.971 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.732 -0.359 0.117 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.874 -3.375 2.323 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.968 -4.058 3.005 1.00 0.00 C ATOM 1065 C GLU A 69 -9.557 -5.492 3.360 1.00 0.00 C ATOM 1066 O GLU A 69 -9.730 -5.942 4.492 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.221 -4.082 2.119 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.458 -4.551 2.903 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.575 -5.005 1.976 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.342 -4.114 1.539 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.631 -6.229 1.729 1.00 0.00 O ATOM 0 H GLU A 69 -9.098 -3.019 1.394 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.195 -3.514 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.401 -3.086 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.055 -4.745 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.179 -5.371 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.817 -3.739 3.535 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.090 -6.227 2.349 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.170 -7.679 2.315 1.00 0.00 C ATOM 1080 C ASN A 70 -7.939 -8.257 1.603 1.00 0.00 C ATOM 1081 O ASN A 70 -8.058 -8.945 0.590 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.491 -8.023 1.598 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.373 -8.964 2.404 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.929 -10.029 2.826 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.633 -8.593 2.619 1.00 0.00 N ATOM 0 H ASN A 70 -8.643 -5.823 1.526 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.170 -8.118 3.313 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.039 -7.103 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.267 -8.479 0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.260 -9.199 3.148 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.971 -7.702 2.255 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.719 -8.008 2.093 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.526 -8.141 1.271 1.00 0.00 C ATOM 1094 C PRO A 71 -5.235 -9.598 0.926 1.00 0.00 C ATOM 1095 O PRO A 71 -4.930 -9.925 -0.219 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.399 -7.451 2.042 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.895 -7.440 3.487 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.420 -7.427 3.384 1.00 0.00 C ATOM 0 HA PRO A 71 -5.650 -7.665 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.459 -7.994 1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.222 -6.441 1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.544 -8.317 4.031 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.529 -6.565 4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.874 -8.004 4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.811 -6.412 3.459 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.402 -10.477 1.915 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.285 -11.920 1.757 1.00 0.00 C ATOM 1108 C LYS A 72 -6.357 -12.499 0.819 1.00 0.00 C ATOM 1109 O LYS A 72 -6.276 -13.674 0.466 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.350 -12.554 3.156 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.883 -14.019 3.185 1.00 0.00 C ATOM 1112 CD LYS A 72 -5.993 -14.987 3.623 1.00 0.00 C ATOM 1113 CE LYS A 72 -6.358 -14.802 5.106 1.00 0.00 C ATOM 1114 NZ LYS A 72 -7.342 -15.804 5.567 1.00 0.00 N ATOM 0 H LYS A 72 -5.628 -10.195 2.869 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.332 -12.155 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.734 -11.970 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.374 -12.500 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.529 -14.303 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.036 -14.113 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.879 -14.827 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.668 -16.014 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.455 -14.876 5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.763 -13.801 5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.559 -15.641 6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.214 -15.718 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.947 -16.759 5.448 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.379 -11.714 0.450 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.445 -12.133 -0.448 1.00 0.00 C ATOM 1130 C LYS A 73 -8.217 -11.544 -1.846 1.00 0.00 C ATOM 1131 O LYS A 73 -8.420 -12.236 -2.839 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.800 -11.758 0.176 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.982 -12.510 -0.452 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.750 -11.633 -1.448 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.730 -12.499 -2.251 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.633 -11.687 -3.093 1.00 0.00 N ATOM 0 H LYS A 73 -7.483 -10.754 0.778 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.445 -13.215 -0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.771 -11.967 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.960 -10.685 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.616 -13.402 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.659 -12.845 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.292 -10.851 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.053 -11.135 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.169 -13.188 -2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.322 -13.105 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.277 -12.314 -3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.188 -11.047 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.071 -11.128 -3.766 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.778 -10.282 -1.934 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.356 -9.650 -3.176 1.00 0.00 C ATOM 1152 C TYR A 74 -6.213 -10.436 -3.830 1.00 0.00 C ATOM 1153 O TYR A 74 -6.258 -10.721 -5.027 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.926 -8.217 -2.847 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.379 -7.418 -4.014 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.259 -6.848 -4.951 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -4.988 -7.266 -4.180 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -6.748 -6.153 -6.059 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.477 -6.566 -5.287 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.363 -6.019 -6.225 1.00 0.00 C ATOM 1161 OH TYR A 74 -4.871 -5.469 -7.364 1.00 0.00 O ATOM 0 H TYR A 74 -7.707 -9.666 -1.124 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.178 -9.638 -3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.783 -7.684 -2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.167 -8.254 -2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.326 -6.945 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.311 -7.689 -3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.423 -5.722 -6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.411 -6.451 -5.413 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.613 -5.225 -7.956 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.177 -10.764 -3.051 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.045 -11.575 -3.497 1.00 0.00 C ATOM 1173 C ILE A 75 -4.052 -12.903 -2.728 1.00 0.00 C ATOM 1174 O ILE A 75 -4.072 -12.888 -1.495 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.730 -10.785 -3.332 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.570 -9.849 -4.544 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.506 -11.709 -3.279 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.602 -8.693 -4.280 1.00 0.00 C ATOM 0 H ILE A 75 -5.103 -10.468 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.130 -11.809 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.784 -10.233 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.215 -10.426 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.545 -9.445 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.603 -11.110 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.601 -12.391 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.443 -12.283 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.530 -8.068 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.968 -8.095 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.617 -9.092 -4.036 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.018 -14.055 -3.424 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.066 -15.367 -2.795 1.00 0.00 C ATOM 1192 C PRO A 76 -2.730 -15.687 -2.117 1.00 0.00 C ATOM 1193 O PRO A 76 -1.939 -16.476 -2.629 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.404 -16.342 -3.931 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.763 -15.683 -5.150 1.00 0.00 C ATOM 1196 CD PRO A 76 -3.978 -14.196 -4.874 1.00 0.00 C ATOM 0 HA PRO A 76 -4.811 -15.429 -2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.994 -17.335 -3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.480 -16.460 -4.055 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.705 -15.931 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.240 -15.996 -6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.172 -13.600 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.907 -13.846 -5.325 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.490 -15.086 -0.950 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.322 -15.369 -0.124 1.00 0.00 C ATOM 1206 C GLY A 77 -0.253 -14.299 -0.311 1.00 0.00 C ATOM 1207 O GLY A 77 0.818 -14.562 -0.847 1.00 0.00 O ATOM 0 H GLY A 77 -3.110 -14.382 -0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.616 -15.416 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.915 -16.346 -0.385 1.00 0.00 H new ATOM 1211 N THR A 78 -0.547 -13.088 0.163 1.00 0.00 N ATOM 1212 CA THR A 78 0.415 -12.001 0.238 1.00 0.00 C ATOM 1213 C THR A 78 1.257 -12.179 1.502 1.00 0.00 C ATOM 1214 O THR A 78 0.768 -12.677 2.516 1.00 0.00 O ATOM 1215 CB THR A 78 -0.320 -10.644 0.206 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.554 -9.573 0.482 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.473 -10.545 1.209 1.00 0.00 C ATOM 0 H THR A 78 -1.473 -12.837 0.509 1.00 0.00 H new ATOM 0 HA THR A 78 1.085 -12.018 -0.622 1.00 0.00 H new ATOM 0 HB THR A 78 -0.719 -10.580 -0.806 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.344 -9.639 -0.094 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.942 -9.564 1.129 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.210 -11.318 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.089 -10.682 2.220 1.00 0.00 H new ATOM 1225 N LYS A 79 2.506 -11.712 1.460 1.00 0.00 N ATOM 1226 CA LYS A 79 3.356 -11.583 2.636 1.00 0.00 C ATOM 1227 C LYS A 79 3.027 -10.300 3.410 1.00 0.00 C ATOM 1228 O LYS A 79 3.766 -9.937 4.322 1.00 0.00 O ATOM 1229 CB LYS A 79 4.837 -11.614 2.222 1.00 0.00 C ATOM 1230 CG LYS A 79 5.694 -12.398 3.223 1.00 0.00 C ATOM 1231 CD LYS A 79 7.184 -12.192 2.923 1.00 0.00 C ATOM 1232 CE LYS A 79 8.032 -13.148 3.777 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.482 -12.913 3.611 1.00 0.00 N ATOM 0 H LYS A 79 2.957 -11.410 0.596 1.00 0.00 H new ATOM 0 HA LYS A 79 3.165 -12.427 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.928 -12.065 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.213 -10.594 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.472 -12.070 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.449 -13.459 3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.378 -12.368 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.465 -11.160 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.765 -13.028 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.800 -14.178 3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.012 -13.581 4.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.745 -13.053 2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.711 -11.939 3.895 1.00 0.00 H new ATOM 1247 N MET A 80 1.943 -9.600 3.055 1.00 0.00 N ATOM 1248 CA MET A 80 1.570 -8.348 3.687 1.00 0.00 C ATOM 1249 C MET A 80 1.190 -8.490 5.160 1.00 0.00 C ATOM 1250 O MET A 80 1.409 -7.578 5.950 1.00 0.00 O ATOM 1251 CB MET A 80 0.511 -7.655 2.836 1.00 0.00 C ATOM 1252 CG MET A 80 -0.027 -6.372 3.465 1.00 0.00 C ATOM 1253 SD MET A 80 -0.020 -4.939 2.368 1.00 0.00 S ATOM 1254 CE MET A 80 -1.677 -4.259 2.617 1.00 0.00 C ATOM 0 H MET A 80 1.303 -9.895 2.317 1.00 0.00 H new ATOM 0 HA MET A 80 2.450 -7.705 3.725 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.935 -7.422 1.859 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.317 -8.343 2.668 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.048 -6.549 3.804 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.567 -6.139 4.349 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.803 -3.371 1.998 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.422 -5.004 2.338 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.807 -3.991 3.666 1.00 0.00 H new ATOM 1264 N ILE A 81 0.630 -9.638 5.529 1.00 0.00 N ATOM 1265 CA ILE A 81 0.218 -9.963 6.890 1.00 0.00 C ATOM 1266 C ILE A 81 -0.658 -8.837 7.459 1.00 0.00 C ATOM 1267 O ILE A 81 -0.245 -8.078 8.335 1.00 0.00 O ATOM 1268 CB ILE A 81 1.458 -10.269 7.754 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.389 -11.326 7.128 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.092 -10.688 9.187 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.865 -12.763 7.212 1.00 0.00 C ATOM 0 H ILE A 81 0.445 -10.392 4.867 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.396 -10.864 6.893 1.00 0.00 H new ATOM 0 HB ILE A 81 2.002 -9.326 7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.553 -11.073 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.359 -11.277 7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.003 -10.891 9.750 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.538 -9.884 9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.476 -11.586 9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.582 -13.440 6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.729 -13.040 8.257 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.910 -12.833 6.691 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.885 -8.716 6.946 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.808 -7.669 7.349 1.00 0.00 C ATOM 1285 C PHE A 82 -4.229 -8.188 7.133 1.00 0.00 C ATOM 1286 O PHE A 82 -4.427 -9.055 6.281 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.499 -6.402 6.538 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.846 -5.111 7.240 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.994 -4.648 8.261 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.904 -4.301 6.784 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.144 -3.349 8.766 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.070 -3.010 7.309 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.167 -2.523 8.272 1.00 0.00 C ATOM 0 H PHE A 82 -2.261 -9.347 6.238 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.704 -7.407 8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.437 -6.393 6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.045 -6.447 5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.224 -5.294 8.655 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.585 -4.672 6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.476 -2.985 9.532 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.890 -2.391 6.974 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.261 -1.509 8.633 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.199 -7.722 7.925 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.558 -8.250 7.928 1.00 0.00 C ATOM 1305 C ALA A 83 -7.462 -7.325 8.745 1.00 0.00 C ATOM 1306 O ALA A 83 -7.699 -7.572 9.925 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.555 -9.665 8.518 1.00 0.00 C ATOM 0 H ALA A 83 -5.057 -6.960 8.587 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.940 -8.299 6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.571 -10.060 8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.916 -10.310 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.176 -9.633 9.539 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.969 -6.261 8.119 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.765 -5.261 8.814 1.00 0.00 C ATOM 1315 C GLY A 84 -7.878 -4.332 9.643 1.00 0.00 C ATOM 1316 O GLY A 84 -6.685 -4.582 9.816 1.00 0.00 O ATOM 0 H GLY A 84 -7.838 -6.074 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.333 -4.677 8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.488 -5.754 9.464 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.456 -3.224 10.123 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.708 -2.156 10.771 1.00 0.00 C ATOM 1322 C ILE A 85 -8.641 -1.247 11.576 1.00 0.00 C ATOM 1323 O ILE A 85 -8.414 -1.033 12.766 1.00 0.00 O ATOM 1324 CB ILE A 85 -6.852 -1.396 9.738 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -6.363 -0.066 10.334 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -7.564 -1.159 8.392 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.121 0.468 9.623 1.00 0.00 C ATOM 0 H ILE A 85 -9.459 -3.049 10.069 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.014 -2.588 11.492 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.000 -2.037 9.513 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.161 0.673 10.270 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.141 -0.205 11.392 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.898 -0.619 7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.830 -2.118 7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.468 -0.572 8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.816 1.409 10.081 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.312 -0.257 9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.348 0.634 8.570 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.676 -0.695 10.936 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.660 0.155 11.589 1.00 0.00 C ATOM 1341 C LYS A 86 -12.058 -0.354 11.250 1.00 0.00 C ATOM 1342 O LYS A 86 -12.669 -1.036 12.067 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.421 1.619 11.188 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.499 2.574 11.728 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.896 3.863 12.308 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.250 3.657 13.689 1.00 0.00 C ATOM 1347 NZ LYS A 86 -11.241 3.353 14.745 1.00 0.00 N ATOM 0 H LYS A 86 -9.851 -0.831 9.940 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.562 0.114 12.674 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.445 1.936 11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.391 1.692 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.192 2.828 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.078 2.067 12.500 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.147 4.250 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.677 4.619 12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.528 2.843 13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.696 4.555 13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.779 3.391 15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.010 4.052 14.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.632 2.401 14.591 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.566 -0.003 10.065 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.893 -0.393 9.606 1.00 0.00 C ATOM 1363 C LYS A 87 -14.077 0.026 8.149 1.00 0.00 C ATOM 1364 O LYS A 87 -14.458 -0.795 7.321 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.995 0.216 10.498 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.395 -0.258 10.074 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.252 -0.581 11.306 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.662 -1.028 10.886 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.452 -1.531 12.031 1.00 0.00 N ATOM 0 H LYS A 87 -12.056 0.568 9.391 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.981 -1.477 9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.816 -0.060 11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.947 1.304 10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.881 0.514 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.310 -1.142 9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.775 -1.368 11.891 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.320 0.297 11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.185 -0.190 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.584 -1.809 10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.395 -1.821 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.967 -2.347 12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.550 -0.779 12.742 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.829 1.309 7.862 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.023 1.926 6.548 1.00 0.00 C ATOM 1385 C LYS A 88 -13.454 3.350 6.511 1.00 0.00 C ATOM 1386 O LYS A 88 -12.920 3.761 5.488 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.509 1.883 6.129 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.750 0.827 5.036 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.195 0.307 5.029 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.286 -0.943 4.136 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.656 -1.490 4.054 1.00 0.00 N ATOM 0 H LYS A 88 -13.477 1.965 8.560 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.465 1.343 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.128 1.658 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.815 2.864 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.517 1.257 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.067 -0.009 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.511 0.066 6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.869 1.080 4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.939 -0.694 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.616 -1.710 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.658 -2.330 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.981 -1.755 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.294 -0.770 3.658 1.00 0.00 H new ATOM 1405 N THR A 89 -13.528 4.103 7.617 1.00 0.00 N ATOM 1406 CA THR A 89 -12.921 5.427 7.710 1.00 0.00 C ATOM 1407 C THR A 89 -11.456 5.409 7.265 1.00 0.00 C ATOM 1408 O THR A 89 -11.037 6.259 6.480 1.00 0.00 O ATOM 1409 CB THR A 89 -13.041 5.919 9.158 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.323 5.578 9.651 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.805 7.427 9.268 1.00 0.00 C ATOM 0 H THR A 89 -14.010 3.808 8.466 1.00 0.00 H new ATOM 0 HA THR A 89 -13.447 6.107 7.040 1.00 0.00 H new ATOM 0 HB THR A 89 -12.270 5.434 9.757 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.410 5.886 10.577 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.899 7.735 10.309 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.804 7.666 8.908 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.543 7.956 8.665 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.714 4.407 7.752 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.331 4.177 7.395 1.00 0.00 C ATOM 1421 C GLU A 90 -9.177 4.184 5.873 1.00 0.00 C ATOM 1422 O GLU A 90 -8.499 5.048 5.326 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.847 2.905 8.091 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.469 2.464 7.589 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.525 1.480 6.425 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -8.622 0.918 6.217 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.470 1.283 5.790 1.00 0.00 O ATOM 0 H GLU A 90 -11.077 3.726 8.419 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.684 4.980 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.803 3.075 9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.567 2.104 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.905 3.345 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.921 2.007 8.413 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.893 3.291 5.185 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.922 3.200 3.726 1.00 0.00 C ATOM 1436 C ARG A 91 -10.183 4.539 3.022 1.00 0.00 C ATOM 1437 O ARG A 91 -9.975 4.612 1.818 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.959 2.165 3.252 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.487 0.724 3.462 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.616 -0.275 3.207 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.018 -0.342 1.791 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.026 -1.118 1.362 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -13.840 -1.676 2.258 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -13.207 -1.380 0.064 1.00 0.00 N ATOM 0 H ARG A 91 -10.483 2.594 5.640 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.919 2.880 3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.894 2.320 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.170 2.324 2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.653 0.511 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.117 0.605 4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.299 -1.265 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.480 0.000 3.812 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.511 0.223 1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.692 -1.511 3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.610 -2.268 1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.570 -0.987 -0.629 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.982 -1.973 -0.233 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.636 5.583 3.721 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.711 6.924 3.181 1.00 0.00 C ATOM 1460 C GLU A 92 -9.437 7.705 3.521 1.00 0.00 C ATOM 1461 O GLU A 92 -8.792 8.236 2.623 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.003 7.584 3.688 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.412 8.812 2.859 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.050 8.394 1.543 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.244 8.034 1.601 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.335 8.453 0.522 1.00 0.00 O ATOM 0 H GLU A 92 -10.961 5.510 4.685 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.761 6.909 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.811 6.853 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.869 7.882 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.112 9.423 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.536 9.430 2.662 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.059 7.809 4.802 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.888 8.604 5.186 1.00 0.00 C ATOM 1475 C ASP A 93 -6.616 8.045 4.561 1.00 0.00 C ATOM 1476 O ASP A 93 -5.884 8.751 3.872 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.668 8.745 6.704 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.945 7.532 7.559 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.067 6.651 7.567 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.006 7.546 8.224 1.00 0.00 O ATOM 0 H ASP A 93 -9.541 7.359 5.580 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.107 9.601 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.633 9.044 6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.297 9.561 7.062 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.346 6.773 4.816 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.192 6.064 4.271 1.00 0.00 C ATOM 1487 C LEU A 94 -5.074 6.285 2.763 1.00 0.00 C ATOM 1488 O LEU A 94 -4.030 6.694 2.248 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.316 4.566 4.589 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.380 4.077 5.695 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.994 3.884 5.106 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.291 4.947 6.951 1.00 0.00 C ATOM 0 H LEU A 94 -6.931 6.193 5.417 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.287 6.457 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.345 4.352 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.116 3.996 3.682 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.819 3.145 6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.314 3.535 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.039 3.146 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.633 4.832 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.597 4.494 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.936 5.942 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.277 5.026 7.410 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.176 6.045 2.056 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.211 6.105 0.603 1.00 0.00 C ATOM 1506 C ILE A 95 -6.251 7.566 0.133 1.00 0.00 C ATOM 1507 O ILE A 95 -6.164 7.817 -1.063 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.377 5.242 0.073 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.389 3.828 0.698 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.382 5.115 -1.460 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.134 2.997 0.429 1.00 0.00 C ATOM 0 H ILE A 95 -7.072 5.803 2.480 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.299 5.681 0.182 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.279 5.774 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.520 3.924 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.255 3.286 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.224 4.497 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.473 6.105 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.452 4.653 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.234 2.022 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.009 2.864 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.263 3.512 0.834 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.315 8.542 1.049 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.262 9.954 0.707 1.00 0.00 C ATOM 1525 C ALA A 96 -4.811 10.394 0.811 1.00 0.00 C ATOM 1526 O ALA A 96 -4.295 11.057 -0.086 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.176 10.765 1.629 1.00 0.00 C ATOM 0 H ALA A 96 -6.405 8.365 2.049 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.622 10.124 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.123 11.819 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.203 10.414 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.854 10.640 2.663 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.124 9.981 1.881 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.700 10.224 1.996 1.00 0.00 C ATOM 1535 C TYR A 97 -1.968 9.653 0.794 1.00 0.00 C ATOM 1536 O TYR A 97 -1.255 10.386 0.121 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.104 9.629 3.271 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.574 9.618 3.288 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.145 10.684 2.706 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.143 8.558 3.876 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.545 10.729 2.767 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.547 8.626 3.969 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.251 9.689 3.385 1.00 0.00 C ATOM 1544 OH TYR A 97 3.613 9.718 3.393 1.00 0.00 O ATOM 0 H TYR A 97 -4.536 9.481 2.669 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.572 11.306 2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.464 10.197 4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.467 8.608 3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.391 11.477 2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.383 7.694 4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.078 11.564 2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.086 7.852 4.495 1.00 0.00 H new ATOM 0 HH TYR A 97 3.954 8.927 3.861 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.079 8.350 0.538 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.231 7.740 -0.482 1.00 0.00 C ATOM 1556 C LEU A 98 -1.466 8.354 -1.861 1.00 0.00 C ATOM 1557 O LEU A 98 -0.565 8.380 -2.702 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.395 6.223 -0.489 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.027 5.623 0.873 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.253 4.115 0.811 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.419 5.916 1.301 1.00 0.00 C ATOM 0 H LEU A 98 -2.726 7.715 1.006 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.194 7.955 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.425 5.966 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.763 5.789 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.665 6.091 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.996 3.669 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.300 3.913 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.624 3.685 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.610 5.462 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.108 5.501 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.567 6.994 1.369 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.663 8.905 -2.062 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.069 9.547 -3.303 1.00 0.00 C ATOM 1575 C LYS A 99 -2.278 10.836 -3.562 1.00 0.00 C ATOM 1576 O LYS A 99 -2.285 11.340 -4.681 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.585 9.765 -3.245 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.233 10.079 -4.594 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.756 10.140 -4.401 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.452 10.775 -5.613 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.922 10.649 -5.532 1.00 0.00 N ATOM 0 H LYS A 99 -3.391 8.915 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.839 8.908 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.052 8.871 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.796 10.583 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.862 11.028 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.974 9.314 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.144 9.134 -4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.987 10.715 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.181 11.829 -5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.096 10.299 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.335 10.786 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.170 9.703 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.297 11.370 -4.883 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.582 11.347 -2.540 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.655 12.454 -2.629 1.00 0.00 C ATOM 1597 C LYS A 100 0.781 11.993 -2.364 1.00 0.00 C ATOM 1598 O LYS A 100 1.687 12.563 -2.951 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.098 13.625 -1.733 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.826 13.464 -0.223 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.278 14.774 0.367 1.00 0.00 C ATOM 1602 CE LYS A 100 0.629 14.533 1.584 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.425 15.737 1.895 1.00 0.00 N ATOM 0 H LYS A 100 -1.661 10.976 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.667 12.836 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.597 14.529 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.168 13.780 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.746 13.183 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.111 12.657 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.282 15.309 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.110 15.414 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.021 14.261 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.295 13.693 1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.337 15.453 2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.592 16.277 1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.907 16.329 2.575 1.00 0.00 H new ATOM 1617 N ALA A 101 1.012 10.979 -1.510 1.00 0.00 N ATOM 1618 CA ALA A 101 2.336 10.469 -1.153 1.00 0.00 C ATOM 1619 C ALA A 101 3.109 10.091 -2.404 1.00 0.00 C ATOM 1620 O ALA A 101 4.286 10.402 -2.570 1.00 0.00 O ATOM 1621 CB ALA A 101 2.214 9.234 -0.256 1.00 0.00 C ATOM 0 H ALA A 101 0.256 10.482 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 101 2.865 11.256 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.209 8.870 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.680 9.498 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.666 8.454 -0.784 1.00 0.00 H new ATOM 1627 N THR A 102 2.394 9.418 -3.301 1.00 0.00 N ATOM 1628 CA THR A 102 2.907 8.977 -4.581 1.00 0.00 C ATOM 1629 C THR A 102 3.364 10.141 -5.474 1.00 0.00 C ATOM 1630 O THR A 102 4.016 9.906 -6.490 1.00 0.00 O ATOM 1631 CB THR A 102 1.817 8.117 -5.223 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.569 8.783 -5.202 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.694 6.816 -4.422 1.00 0.00 C ATOM 0 H THR A 102 1.419 9.161 -3.148 1.00 0.00 H new ATOM 0 HA THR A 102 3.814 8.388 -4.443 1.00 0.00 H new ATOM 0 HB THR A 102 2.088 7.917 -6.260 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.095 8.564 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.921 6.188 -4.864 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.646 6.286 -4.440 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.427 7.047 -3.391 1.00 0.00 H new ATOM 1641 N ASN A 103 3.033 11.378 -5.093 1.00 0.00 N ATOM 1642 CA ASN A 103 3.407 12.620 -5.752 1.00 0.00 C ATOM 1643 C ASN A 103 3.777 13.706 -4.714 1.00 0.00 C ATOM 1644 O ASN A 103 3.380 14.860 -4.871 1.00 0.00 O ATOM 1645 CB ASN A 103 2.220 13.021 -6.644 1.00 0.00 C ATOM 1646 CG ASN A 103 2.523 14.184 -7.582 1.00 0.00 C ATOM 1647 OD1 ASN A 103 3.514 14.169 -8.305 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.641 15.178 -7.632 1.00 0.00 N ATOM 0 H ASN A 103 2.461 11.542 -4.264 1.00 0.00 H new ATOM 0 HA ASN A 103 4.299 12.497 -6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.914 12.158 -7.236 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.375 13.288 -6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.781 15.951 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.825 15.167 -7.020 1.00 0.00 H new ATOM 1655 N GLU A 104 4.514 13.325 -3.656 1.00 0.00 N ATOM 1656 CA GLU A 104 5.131 14.220 -2.663 1.00 0.00 C ATOM 1657 C GLU A 104 6.606 14.476 -3.046 1.00 0.00 C ATOM 1658 O GLU A 104 6.955 14.248 -4.224 1.00 0.00 O ATOM 1659 CB GLU A 104 5.036 13.574 -1.261 1.00 0.00 C ATOM 1660 CG GLU A 104 3.716 13.768 -0.506 1.00 0.00 C ATOM 1661 CD GLU A 104 3.581 15.081 0.242 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.878 15.101 1.458 1.00 0.00 O ATOM 1663 OE2 GLU A 104 2.866 15.974 -0.263 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.397 14.879 -2.158 1.00 0.00 O ATOM 0 H GLU A 104 4.704 12.342 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 104 4.605 15.174 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.215 12.504 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.843 13.973 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.895 13.689 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.601 12.950 0.206 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.667 -3.255 2.689 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.513 -4.408 -0.564 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.160 -0.730 1.374 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.835 -2.344 5.909 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.727 -5.735 4.006 1.00 0.00 C HETATM 1677 NA HEC A 105 1.226 -2.694 0.749 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.697 -3.273 -0.413 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.219 -2.460 -1.509 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.394 -1.488 -0.971 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.469 -1.601 0.467 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.484 -0.510 -1.713 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.522 -2.692 -2.976 1.00 0.00 C HETATM 1684 CBA HEC A 105 2.978 -2.459 -3.400 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.151 -2.667 -4.902 1.00 0.00 C HETATM 1686 O1A HEC A 105 2.687 -3.714 -5.406 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.695 -1.755 -5.560 1.00 0.00 O HETATM 1688 NB HEC A 105 0.551 -1.805 3.501 1.00 0.00 N HETATM 1689 C1B HEC A 105 -0.100 -0.868 2.774 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.714 0.034 3.720 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.495 -0.450 4.994 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.344 -1.608 4.841 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.337 1.342 3.356 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.082 0.034 6.316 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.603 0.188 6.276 1.00 0.00 C HETATM 1696 NC HEC A 105 2.173 -3.924 4.604 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.712 -3.387 5.753 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.325 -4.070 6.859 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.229 -4.956 6.324 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.053 -4.914 4.889 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.069 -3.762 8.313 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.371 -5.646 7.042 1.00 0.00 C HETATM 1703 CBC HEC A 105 3.948 -6.826 7.917 1.00 0.00 C HETATM 1704 ND HEC A 105 2.893 -4.807 1.864 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.622 -5.671 2.620 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.286 -6.586 1.725 1.00 0.00 C HETATM 1707 C3D HEC A 105 3.959 -6.224 0.443 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.061 -5.089 0.529 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.199 -7.723 2.107 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.433 -6.947 -0.798 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.384 -7.926 -1.348 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.728 -9.393 -1.095 1.00 0.00 C HETATM 1713 O1D HEC A 105 4.890 -9.795 -1.321 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.808 -10.139 -0.716 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.057 -7.333 2.654 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.657 -8.429 2.737 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.544 -8.231 1.206 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.347 -2.729 8.520 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.011 -3.905 8.534 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.663 -4.430 8.937 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.588 1.986 2.894 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.153 1.173 2.653 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.725 1.823 4.254 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.132 0.110 -2.364 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.211 -1.057 -2.314 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -1.008 0.124 -0.998 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.418 -7.704 -0.894 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.276 -7.766 -2.421 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.254 -6.480 8.684 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.460 -7.580 7.300 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 4.828 -7.260 8.393 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.875 0.913 5.509 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -3.060 -0.774 6.045 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.959 0.535 7.246 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.281 -1.447 -3.132 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.632 -3.141 -2.857 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.681 -6.216 -1.567 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.349 -7.492 -0.569 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.250 -3.717 -3.226 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.881 -2.038 -3.568 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.391 -6.490 4.427 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.510 -2.082 6.916 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.730 0.105 0.968 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.727 -4.771 -1.569 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.441 -2.125 -6.077 1.00 0.00 H new