USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN : amide:sc= -0.0742 K(o=-0.074,f=-1.8) USER MOD Set 1.2: A 66 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.216 X(o=-5.1,f=-5.3) USER MOD Set 2.2: A 47 HIS : no HE2:sc= -5.31! K(o=-5.1!,f=-7) USER MOD Set 3.1: A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Set 3.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0384) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 35 SER OG : rot 127:sc= 0.99 USER MOD Single : A 38 SER OG : rot 93:sc= -2.51! USER MOD Single : A 39 THR OG1 : rot 61:sc= 0.973 USER MOD Single : A 44 MET CE :methyl 138:sc= -17.8! (180deg=-28.1!) USER MOD Single : A 48 THR OG1 : rot -64:sc= 0.267 USER MOD Single : A 52 TYR OH : rot -116:sc= 0.512 USER MOD Single : A 53 ASN : amide:sc= -0.501 K(o=-0.5,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.55 K(o=-1.6,f=-0.62) USER MOD Single : A 57 HIS : no HE2:sc= -3.1 X(o=-3.1,f=-3.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.605 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 69 HIS : no HD1:sc= -8.27! C(o=-8.3!,f=-4.7!) USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.145) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.489 4.255 -9.344 1.00 0.00 N ATOM 25 CA PHE A 10 10.724 3.935 -8.570 1.00 0.00 C ATOM 26 C PHE A 10 10.369 3.129 -7.311 1.00 0.00 C ATOM 27 O PHE A 10 9.356 3.360 -6.681 1.00 0.00 O ATOM 28 CB PHE A 10 11.322 5.314 -8.221 1.00 0.00 C ATOM 29 CG PHE A 10 11.634 5.429 -6.738 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.648 5.887 -5.852 1.00 0.00 C ATOM 31 CD2 PHE A 10 12.905 5.089 -6.253 1.00 0.00 C ATOM 32 CE1 PHE A 10 10.930 6.002 -4.486 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.188 5.207 -4.886 1.00 0.00 C ATOM 34 CZ PHE A 10 12.201 5.663 -4.002 1.00 0.00 C ATOM 0 HA PHE A 10 11.432 3.320 -9.126 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.233 5.473 -8.798 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.622 6.098 -8.508 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.669 6.151 -6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.666 4.736 -6.933 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.168 6.352 -3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.168 4.946 -4.513 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.420 5.753 -2.948 1.00 0.00 H new ATOM 44 N VAL A 11 11.215 2.208 -6.931 1.00 0.00 N ATOM 45 CA VAL A 11 10.950 1.411 -5.699 1.00 0.00 C ATOM 46 C VAL A 11 11.865 1.924 -4.588 1.00 0.00 C ATOM 47 O VAL A 11 13.076 1.863 -4.698 1.00 0.00 O ATOM 48 CB VAL A 11 11.254 -0.056 -6.056 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.739 -0.238 -6.400 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.898 -0.952 -4.864 1.00 0.00 C ATOM 0 H VAL A 11 12.078 1.974 -7.421 1.00 0.00 H new ATOM 0 HA VAL A 11 9.921 1.498 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 11 10.658 -0.332 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.930 -1.282 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.995 0.391 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.349 0.048 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.112 -1.991 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.490 -0.657 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.838 -0.845 -4.632 1.00 0.00 H new ATOM 60 N ASP A 12 11.300 2.464 -3.537 1.00 0.00 N ATOM 61 CA ASP A 12 12.141 3.014 -2.436 1.00 0.00 C ATOM 62 C ASP A 12 13.196 2.001 -1.994 1.00 0.00 C ATOM 63 O ASP A 12 12.903 1.043 -1.304 1.00 0.00 O ATOM 64 CB ASP A 12 11.173 3.332 -1.291 1.00 0.00 C ATOM 65 CG ASP A 12 11.915 4.086 -0.179 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.652 5.006 -0.495 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.731 3.734 0.974 1.00 0.00 O ATOM 0 H ASP A 12 10.293 2.547 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 12 12.685 3.902 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.343 3.934 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.747 2.410 -0.896 1.00 0.00 H new ATOM 72 N ASP A 13 14.433 2.230 -2.370 1.00 0.00 N ATOM 73 CA ASP A 13 15.526 1.315 -1.963 1.00 0.00 C ATOM 74 C ASP A 13 15.674 1.381 -0.445 1.00 0.00 C ATOM 75 O ASP A 13 16.124 0.447 0.192 1.00 0.00 O ATOM 76 CB ASP A 13 16.780 1.848 -2.664 1.00 0.00 C ATOM 77 CG ASP A 13 17.829 0.736 -2.750 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.813 0.007 -3.729 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.630 0.631 -1.834 1.00 0.00 O ATOM 0 H ASP A 13 14.725 3.020 -2.946 1.00 0.00 H new ATOM 0 HA ASP A 13 15.342 0.275 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.528 2.203 -3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.182 2.700 -2.115 1.00 0.00 H new ATOM 84 N HIS A 14 15.264 2.486 0.137 1.00 0.00 N ATOM 85 CA HIS A 14 15.336 2.638 1.611 1.00 0.00 C ATOM 86 C HIS A 14 14.363 1.657 2.275 1.00 0.00 C ATOM 87 O HIS A 14 14.611 1.155 3.354 1.00 0.00 O ATOM 88 CB HIS A 14 14.917 4.089 1.876 1.00 0.00 C ATOM 89 CG HIS A 14 15.657 4.620 3.071 1.00 0.00 C ATOM 90 ND1 HIS A 14 15.140 4.543 4.355 1.00 0.00 N ATOM 91 CD2 HIS A 14 16.878 5.237 3.196 1.00 0.00 C ATOM 92 CE1 HIS A 14 16.038 5.099 5.188 1.00 0.00 C ATOM 93 NE2 HIS A 14 17.116 5.539 4.533 1.00 0.00 N ATOM 0 H HIS A 14 14.881 3.291 -0.359 1.00 0.00 H new ATOM 0 HA HIS A 14 16.327 2.427 2.013 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.129 4.704 1.002 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.842 4.141 2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 14 17.551 5.455 2.380 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.904 5.180 6.257 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.937 5.998 4.928 1.00 0.00 H new ATOM 101 N LEU A 15 13.271 1.363 1.614 1.00 0.00 N ATOM 102 CA LEU A 15 12.285 0.394 2.167 1.00 0.00 C ATOM 103 C LEU A 15 12.813 -1.024 1.915 1.00 0.00 C ATOM 104 O LEU A 15 12.654 -1.911 2.731 1.00 0.00 O ATOM 105 CB LEU A 15 10.974 0.703 1.413 1.00 0.00 C ATOM 106 CG LEU A 15 10.498 -0.487 0.575 1.00 0.00 C ATOM 107 CD1 LEU A 15 9.769 -1.481 1.479 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.535 0.013 -0.506 1.00 0.00 C ATOM 0 H LEU A 15 13.022 1.758 0.707 1.00 0.00 H new ATOM 0 HA LEU A 15 12.120 0.471 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.199 0.974 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.124 1.566 0.764 1.00 0.00 H new ATOM 0 HG LEU A 15 11.354 -0.975 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.428 -2.330 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.448 -1.831 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.910 -0.992 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.192 -0.830 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.678 0.495 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.048 0.730 -1.147 1.00 0.00 H new ATOM 120 N LEU A 16 13.470 -1.226 0.795 1.00 0.00 N ATOM 121 CA LEU A 16 14.051 -2.563 0.482 1.00 0.00 C ATOM 122 C LEU A 16 15.116 -2.912 1.517 1.00 0.00 C ATOM 123 O LEU A 16 15.183 -4.025 2.003 1.00 0.00 O ATOM 124 CB LEU A 16 14.694 -2.427 -0.895 1.00 0.00 C ATOM 125 CG LEU A 16 13.680 -2.852 -1.941 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.823 -1.649 -2.308 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.399 -3.382 -3.181 1.00 0.00 C ATOM 0 H LEU A 16 13.627 -0.513 0.082 1.00 0.00 H new ATOM 0 HA LEU A 16 13.295 -3.348 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.008 -1.397 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.588 -3.047 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 16 13.048 -3.646 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.089 -1.941 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.307 -1.285 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.458 -0.859 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.664 -3.685 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.035 -2.599 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.012 -4.240 -2.907 1.00 0.00 H new ATOM 139 N GLU A 17 15.944 -1.953 1.862 1.00 0.00 N ATOM 140 CA GLU A 17 17.012 -2.204 2.881 1.00 0.00 C ATOM 141 C GLU A 17 16.388 -2.713 4.194 1.00 0.00 C ATOM 142 O GLU A 17 17.042 -3.364 4.987 1.00 0.00 O ATOM 143 CB GLU A 17 17.711 -0.844 3.073 1.00 0.00 C ATOM 144 CG GLU A 17 17.317 -0.218 4.416 1.00 0.00 C ATOM 145 CD GLU A 17 17.963 1.162 4.551 1.00 0.00 C ATOM 146 OE1 GLU A 17 19.099 1.224 4.990 1.00 0.00 O ATOM 147 OE2 GLU A 17 17.309 2.135 4.214 1.00 0.00 O ATOM 0 H GLU A 17 15.925 -1.007 1.481 1.00 0.00 H new ATOM 0 HA GLU A 17 17.720 -2.970 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.792 -0.976 3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.440 -0.172 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.233 -0.131 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.636 -0.861 5.236 1.00 0.00 H new ATOM 154 N LYS A 18 15.126 -2.425 4.418 1.00 0.00 N ATOM 155 CA LYS A 18 14.452 -2.889 5.668 1.00 0.00 C ATOM 156 C LYS A 18 13.628 -4.156 5.399 1.00 0.00 C ATOM 157 O LYS A 18 13.474 -4.991 6.269 1.00 0.00 O ATOM 158 CB LYS A 18 13.538 -1.732 6.074 1.00 0.00 C ATOM 159 CG LYS A 18 14.363 -0.642 6.764 1.00 0.00 C ATOM 160 CD LYS A 18 13.765 0.731 6.445 1.00 0.00 C ATOM 161 CE LYS A 18 14.851 1.805 6.566 1.00 0.00 C ATOM 162 NZ LYS A 18 14.211 2.927 7.310 1.00 0.00 N ATOM 0 H LYS A 18 14.535 -1.887 3.785 1.00 0.00 H new ATOM 0 HA LYS A 18 15.168 -3.142 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.040 -1.323 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.757 -2.090 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.372 -0.805 7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.399 -0.687 6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.349 0.732 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.945 0.950 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.722 1.425 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.195 2.129 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.897 3.700 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.389 3.274 6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.900 2.592 8.244 1.00 0.00 H new ATOM 176 N VAL A 19 13.095 -4.310 4.207 1.00 0.00 N ATOM 177 CA VAL A 19 12.284 -5.531 3.907 1.00 0.00 C ATOM 178 C VAL A 19 13.190 -6.755 3.760 1.00 0.00 C ATOM 179 O VAL A 19 12.869 -7.826 4.238 1.00 0.00 O ATOM 180 CB VAL A 19 11.547 -5.237 2.599 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.445 -5.529 1.394 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.303 -6.122 2.537 1.00 0.00 C ATOM 0 H VAL A 19 13.187 -3.648 3.437 1.00 0.00 H new ATOM 0 HA VAL A 19 11.584 -5.754 4.712 1.00 0.00 H new ATOM 0 HB VAL A 19 11.269 -4.184 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.901 -5.313 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.336 -4.903 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.738 -6.579 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.763 -5.927 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.600 -7.170 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.657 -5.901 3.387 1.00 0.00 H new ATOM 192 N LEU A 20 14.328 -6.599 3.128 1.00 0.00 N ATOM 193 CA LEU A 20 15.261 -7.755 2.987 1.00 0.00 C ATOM 194 C LEU A 20 15.727 -8.156 4.385 1.00 0.00 C ATOM 195 O LEU A 20 16.074 -9.294 4.637 1.00 0.00 O ATOM 196 CB LEU A 20 16.429 -7.268 2.111 1.00 0.00 C ATOM 197 CG LEU A 20 17.266 -6.215 2.849 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.361 -6.904 3.671 1.00 0.00 C ATOM 199 CD2 LEU A 20 17.917 -5.284 1.824 1.00 0.00 C ATOM 0 H LEU A 20 14.648 -5.727 2.707 1.00 0.00 H new ATOM 0 HA LEU A 20 14.799 -8.627 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.060 -8.113 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.042 -6.846 1.184 1.00 0.00 H new ATOM 0 HG LEU A 20 16.621 -5.643 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.952 -6.151 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.903 -7.574 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.008 -7.477 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.514 -4.533 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.560 -5.864 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.142 -4.791 1.237 1.00 0.00 H new ATOM 211 N GLU A 21 15.695 -7.218 5.305 1.00 0.00 N ATOM 212 CA GLU A 21 16.086 -7.520 6.700 1.00 0.00 C ATOM 213 C GLU A 21 14.987 -8.360 7.357 1.00 0.00 C ATOM 214 O GLU A 21 15.259 -9.219 8.175 1.00 0.00 O ATOM 215 CB GLU A 21 16.205 -6.162 7.391 1.00 0.00 C ATOM 216 CG GLU A 21 17.664 -5.699 7.372 1.00 0.00 C ATOM 217 CD GLU A 21 17.832 -4.504 8.313 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.570 -3.392 7.883 1.00 0.00 O ATOM 219 OE2 GLU A 21 18.221 -4.720 9.450 1.00 0.00 O ATOM 0 H GLU A 21 15.411 -6.253 5.137 1.00 0.00 H new ATOM 0 HA GLU A 21 17.018 -8.081 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.575 -5.430 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.850 -6.234 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.319 -6.514 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.956 -5.422 6.359 1.00 0.00 H new ATOM 226 N LEU A 22 13.742 -8.135 6.984 1.00 0.00 N ATOM 227 CA LEU A 22 12.630 -8.940 7.571 1.00 0.00 C ATOM 228 C LEU A 22 12.656 -10.350 6.971 1.00 0.00 C ATOM 229 O LEU A 22 12.239 -11.308 7.594 1.00 0.00 O ATOM 230 CB LEU A 22 11.339 -8.206 7.177 1.00 0.00 C ATOM 231 CG LEU A 22 10.850 -7.316 8.332 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.618 -8.161 9.589 1.00 0.00 C ATOM 233 CD2 LEU A 22 11.891 -6.233 8.632 1.00 0.00 C ATOM 0 H LEU A 22 13.456 -7.432 6.302 1.00 0.00 H new ATOM 0 HA LEU A 22 12.712 -9.041 8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.516 -7.597 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.567 -8.930 6.917 1.00 0.00 H new ATOM 0 HG LEU A 22 9.911 -6.847 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.272 -7.520 10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.866 -8.922 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.551 -8.643 9.881 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.538 -5.606 9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.833 -6.702 8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.043 -5.619 7.745 1.00 0.00 H new ATOM 245 N ASN A 23 13.172 -10.483 5.771 1.00 0.00 N ATOM 246 CA ASN A 23 13.261 -11.829 5.128 1.00 0.00 C ATOM 247 C ASN A 23 14.499 -12.575 5.649 1.00 0.00 C ATOM 248 O ASN A 23 14.630 -13.771 5.473 1.00 0.00 O ATOM 249 CB ASN A 23 13.393 -11.555 3.627 1.00 0.00 C ATOM 250 CG ASN A 23 12.035 -11.135 3.058 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.119 -11.931 2.991 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.866 -9.910 2.643 1.00 0.00 N ATOM 0 H ASN A 23 13.536 -9.713 5.210 1.00 0.00 H new ATOM 0 HA ASN A 23 12.392 -12.449 5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.129 -10.770 3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.753 -12.447 3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.965 -9.620 2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.635 -9.242 2.699 1.00 0.00 H new ATOM 259 N ALA A 24 15.400 -11.873 6.302 1.00 0.00 N ATOM 260 CA ALA A 24 16.616 -12.522 6.848 1.00 0.00 C ATOM 261 C ALA A 24 16.283 -13.148 8.202 1.00 0.00 C ATOM 262 O ALA A 24 16.727 -14.234 8.521 1.00 0.00 O ATOM 263 CB ALA A 24 17.635 -11.394 7.013 1.00 0.00 C ATOM 0 H ALA A 24 15.335 -10.870 6.476 1.00 0.00 H new ATOM 0 HA ALA A 24 16.999 -13.312 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.564 -11.799 7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 24 17.828 -10.934 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.240 -10.644 7.699 1.00 0.00 H new ATOM 269 N LYS A 25 15.480 -12.470 8.986 1.00 0.00 N ATOM 270 CA LYS A 25 15.083 -13.017 10.313 1.00 0.00 C ATOM 271 C LYS A 25 13.885 -13.951 10.151 1.00 0.00 C ATOM 272 O LYS A 25 13.586 -14.751 11.018 1.00 0.00 O ATOM 273 CB LYS A 25 14.672 -11.798 11.140 1.00 0.00 C ATOM 274 CG LYS A 25 15.911 -11.140 11.737 1.00 0.00 C ATOM 275 CD LYS A 25 16.025 -9.699 11.229 1.00 0.00 C ATOM 276 CE LYS A 25 17.368 -9.510 10.518 1.00 0.00 C ATOM 277 NZ LYS A 25 17.413 -8.067 10.145 1.00 0.00 N ATOM 0 H LYS A 25 15.083 -11.558 8.759 1.00 0.00 H new ATOM 0 HA LYS A 25 15.888 -13.583 10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.136 -11.085 10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.990 -12.099 11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.851 -11.149 12.825 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.802 -11.704 11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.206 -9.478 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.942 -9.001 12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.200 -9.774 11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.440 -10.147 9.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.108 -7.927 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.474 -7.764 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.689 -7.503 10.974 1.00 0.00 H new ATOM 291 N GLY A 26 13.175 -13.821 9.058 1.00 0.00 N ATOM 292 CA GLY A 26 11.966 -14.658 8.841 1.00 0.00 C ATOM 293 C GLY A 26 10.752 -13.916 9.410 1.00 0.00 C ATOM 294 O GLY A 26 9.649 -14.429 9.410 1.00 0.00 O ATOM 0 H GLY A 26 13.386 -13.166 8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.826 -14.853 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.082 -15.625 9.330 1.00 0.00 H new ATOM 298 N GLU A 27 10.948 -12.706 9.903 1.00 0.00 N ATOM 299 CA GLU A 27 9.804 -11.935 10.474 1.00 0.00 C ATOM 300 C GLU A 27 9.060 -11.179 9.367 1.00 0.00 C ATOM 301 O GLU A 27 9.647 -10.757 8.388 1.00 0.00 O ATOM 302 CB GLU A 27 10.436 -10.950 11.462 1.00 0.00 C ATOM 303 CG GLU A 27 10.879 -11.697 12.724 1.00 0.00 C ATOM 304 CD GLU A 27 11.607 -10.730 13.662 1.00 0.00 C ATOM 305 OE1 GLU A 27 12.808 -10.577 13.508 1.00 0.00 O ATOM 306 OE2 GLU A 27 10.952 -10.161 14.518 1.00 0.00 O ATOM 0 H GLU A 27 11.849 -12.229 9.931 1.00 0.00 H new ATOM 0 HA GLU A 27 9.075 -12.586 10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.291 -10.456 11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.720 -10.171 11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.013 -12.126 13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.536 -12.525 12.457 1.00 0.00 H new ATOM 313 N LYS A 28 7.772 -11.006 9.518 1.00 0.00 N ATOM 314 CA LYS A 28 6.980 -10.278 8.487 1.00 0.00 C ATOM 315 C LYS A 28 6.334 -9.035 9.112 1.00 0.00 C ATOM 316 O LYS A 28 5.266 -9.105 9.693 1.00 0.00 O ATOM 317 CB LYS A 28 5.918 -11.280 8.032 1.00 0.00 C ATOM 318 CG LYS A 28 6.520 -12.229 6.993 1.00 0.00 C ATOM 319 CD LYS A 28 5.401 -13.013 6.303 1.00 0.00 C ATOM 320 CE LYS A 28 6.005 -14.175 5.505 1.00 0.00 C ATOM 321 NZ LYS A 28 5.272 -15.388 5.967 1.00 0.00 N ATOM 0 H LYS A 28 7.233 -11.341 10.317 1.00 0.00 H new ATOM 0 HA LYS A 28 7.588 -9.931 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.549 -11.847 8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.064 -10.753 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.089 -11.663 6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.216 -12.916 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.699 -13.394 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.838 -12.356 5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.880 -14.024 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.075 -14.267 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.632 -16.224 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.415 -15.511 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.257 -15.276 5.770 1.00 0.00 H new ATOM 335 N ARG A 29 6.982 -7.901 9.005 1.00 0.00 N ATOM 336 CA ARG A 29 6.419 -6.649 9.600 1.00 0.00 C ATOM 337 C ARG A 29 6.135 -5.617 8.505 1.00 0.00 C ATOM 338 O ARG A 29 5.969 -5.953 7.347 1.00 0.00 O ATOM 339 CB ARG A 29 7.508 -6.143 10.553 1.00 0.00 C ATOM 340 CG ARG A 29 6.870 -5.653 11.855 1.00 0.00 C ATOM 341 CD ARG A 29 7.886 -4.819 12.640 1.00 0.00 C ATOM 342 NE ARG A 29 7.327 -4.721 14.019 1.00 0.00 N ATOM 343 CZ ARG A 29 7.561 -3.660 14.745 1.00 0.00 C ATOM 344 NH1 ARG A 29 8.610 -3.621 15.525 1.00 0.00 N ATOM 345 NH2 ARG A 29 6.745 -2.638 14.691 1.00 0.00 N ATOM 0 H ARG A 29 7.878 -7.788 8.531 1.00 0.00 H new ATOM 0 HA ARG A 29 5.474 -6.824 10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.219 -6.941 10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.067 -5.333 10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.985 -5.056 11.636 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.541 -6.503 12.453 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.867 -5.295 12.645 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.013 -3.832 12.195 1.00 0.00 H new ATOM 0 HE ARG A 29 6.762 -5.482 14.396 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.245 -4.418 15.566 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.793 -2.793 16.092 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.927 -2.670 14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.927 -1.810 15.257 1.00 0.00 H new ATOM 359 N LEU A 30 6.071 -4.361 8.871 1.00 0.00 N ATOM 360 CA LEU A 30 5.791 -3.294 7.869 1.00 0.00 C ATOM 361 C LEU A 30 7.036 -2.419 7.647 1.00 0.00 C ATOM 362 O LEU A 30 7.813 -2.182 8.555 1.00 0.00 O ATOM 363 CB LEU A 30 4.619 -2.491 8.480 1.00 0.00 C ATOM 364 CG LEU A 30 5.060 -1.078 8.904 1.00 0.00 C ATOM 365 CD1 LEU A 30 3.916 -0.088 8.667 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.430 -1.088 10.391 1.00 0.00 C ATOM 0 H LEU A 30 6.202 -4.030 9.827 1.00 0.00 H new ATOM 0 HA LEU A 30 5.536 -3.690 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.810 -2.417 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.224 -3.024 9.345 1.00 0.00 H new ATOM 0 HG LEU A 30 5.925 -0.775 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.231 0.911 8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.653 -0.082 7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.048 -0.387 9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.743 -0.089 10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.564 -1.392 10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.247 -1.790 10.558 1.00 0.00 H new ATOM 378 N ILE A 31 7.212 -1.925 6.446 1.00 0.00 N ATOM 379 CA ILE A 31 8.383 -1.040 6.147 1.00 0.00 C ATOM 380 C ILE A 31 7.868 0.308 5.631 1.00 0.00 C ATOM 381 O ILE A 31 7.205 0.382 4.616 1.00 0.00 O ATOM 382 CB ILE A 31 9.197 -1.768 5.068 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.695 -3.108 5.624 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.400 -0.906 4.664 1.00 0.00 C ATOM 385 CD1 ILE A 31 8.994 -4.258 4.897 1.00 0.00 C ATOM 0 H ILE A 31 6.592 -2.097 5.655 1.00 0.00 H new ATOM 0 HA ILE A 31 8.998 -0.846 7.026 1.00 0.00 H new ATOM 0 HB ILE A 31 8.568 -1.945 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.775 -3.188 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.496 -3.166 6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.977 -1.423 3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.048 0.048 4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.030 -0.729 5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.349 -5.209 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.917 -4.181 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.216 -4.204 3.831 1.00 0.00 H new ATOM 397 N LYS A 32 8.152 1.373 6.336 1.00 0.00 N ATOM 398 CA LYS A 32 7.661 2.718 5.906 1.00 0.00 C ATOM 399 C LYS A 32 8.579 3.329 4.838 1.00 0.00 C ATOM 400 O LYS A 32 9.728 2.952 4.697 1.00 0.00 O ATOM 401 CB LYS A 32 7.669 3.567 7.179 1.00 0.00 C ATOM 402 CG LYS A 32 6.477 3.176 8.061 1.00 0.00 C ATOM 403 CD LYS A 32 6.929 2.193 9.147 1.00 0.00 C ATOM 404 CE LYS A 32 7.711 2.941 10.230 1.00 0.00 C ATOM 405 NZ LYS A 32 8.096 1.898 11.223 1.00 0.00 N ATOM 0 H LYS A 32 8.704 1.370 7.193 1.00 0.00 H new ATOM 0 HA LYS A 32 6.670 2.661 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.602 3.418 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.615 4.625 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.047 4.066 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.696 2.723 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.063 1.699 9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.552 1.413 8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.590 3.432 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.101 3.718 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.636 2.337 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.239 1.453 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.682 1.176 10.758 1.00 0.00 H new ATOM 419 N THR A 33 8.067 4.271 4.081 1.00 0.00 N ATOM 420 CA THR A 33 8.882 4.922 3.007 1.00 0.00 C ATOM 421 C THR A 33 8.596 6.432 2.971 1.00 0.00 C ATOM 422 O THR A 33 7.571 6.881 3.445 1.00 0.00 O ATOM 423 CB THR A 33 8.416 4.250 1.710 1.00 0.00 C ATOM 424 OG1 THR A 33 8.887 2.910 1.676 1.00 0.00 O ATOM 425 CG2 THR A 33 8.962 5.014 0.505 1.00 0.00 C ATOM 0 H THR A 33 7.112 4.619 4.163 1.00 0.00 H new ATOM 0 HA THR A 33 9.955 4.809 3.165 1.00 0.00 H new ATOM 0 HB THR A 33 7.327 4.255 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.588 2.479 0.848 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.628 4.532 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.597 6.041 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.051 5.015 0.538 1.00 0.00 H new ATOM 433 N TRP A 34 9.498 7.218 2.418 1.00 0.00 N ATOM 434 CA TRP A 34 9.274 8.704 2.360 1.00 0.00 C ATOM 435 C TRP A 34 9.894 9.307 1.088 1.00 0.00 C ATOM 436 O TRP A 34 10.453 10.388 1.118 1.00 0.00 O ATOM 437 CB TRP A 34 9.975 9.275 3.600 1.00 0.00 C ATOM 438 CG TRP A 34 9.519 8.560 4.829 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.445 8.900 5.573 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.101 7.387 5.459 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.335 8.014 6.629 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.336 7.061 6.602 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.211 6.585 5.151 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.664 5.976 7.414 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.545 5.490 5.964 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.774 5.187 7.095 1.00 0.00 C ATOM 0 H TRP A 34 10.374 6.896 2.007 1.00 0.00 H new ATOM 0 HA TRP A 34 8.210 8.940 2.339 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.055 9.176 3.493 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.760 10.340 3.690 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.781 9.728 5.376 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.605 8.058 7.340 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.812 6.812 4.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.065 5.746 8.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.400 4.878 5.717 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.037 4.346 7.719 1.00 0.00 H new ATOM 457 N SER A 35 9.805 8.624 -0.027 1.00 0.00 N ATOM 458 CA SER A 35 10.400 9.172 -1.289 1.00 0.00 C ATOM 459 C SER A 35 9.319 9.859 -2.150 1.00 0.00 C ATOM 460 O SER A 35 8.841 10.922 -1.801 1.00 0.00 O ATOM 461 CB SER A 35 11.010 7.961 -1.997 1.00 0.00 C ATOM 462 OG SER A 35 12.255 7.646 -1.389 1.00 0.00 O ATOM 0 H SER A 35 9.349 7.716 -0.120 1.00 0.00 H new ATOM 0 HA SER A 35 11.151 9.938 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.334 7.108 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.152 8.177 -3.056 1.00 0.00 H new ATOM 0 HG SER A 35 12.260 6.702 -1.125 1.00 0.00 H new ATOM 468 N ARG A 36 8.935 9.279 -3.269 1.00 0.00 N ATOM 469 CA ARG A 36 7.893 9.923 -4.134 1.00 0.00 C ATOM 470 C ARG A 36 7.106 8.856 -4.906 1.00 0.00 C ATOM 471 O ARG A 36 5.921 8.679 -4.694 1.00 0.00 O ATOM 472 CB ARG A 36 8.673 10.825 -5.099 1.00 0.00 C ATOM 473 CG ARG A 36 8.618 12.276 -4.609 1.00 0.00 C ATOM 474 CD ARG A 36 10.010 12.715 -4.147 1.00 0.00 C ATOM 475 NE ARG A 36 9.773 13.913 -3.290 1.00 0.00 N ATOM 476 CZ ARG A 36 9.752 13.795 -1.988 1.00 0.00 C ATOM 477 NH1 ARG A 36 8.615 13.863 -1.344 1.00 0.00 N ATOM 478 NH2 ARG A 36 10.867 13.608 -1.330 1.00 0.00 N ATOM 0 H ARG A 36 9.298 8.392 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 36 7.167 10.488 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.709 10.493 -5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.250 10.753 -6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.267 12.928 -5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.906 12.367 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.508 11.923 -3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.649 12.957 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 36 9.627 14.826 -3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.746 14.008 -1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.598 13.771 -0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.753 13.554 -1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.850 13.516 -0.314 1.00 0.00 H new ATOM 492 N ARG A 37 7.759 8.135 -5.791 1.00 0.00 N ATOM 493 CA ARG A 37 7.050 7.067 -6.569 1.00 0.00 C ATOM 494 C ARG A 37 7.179 5.713 -5.851 1.00 0.00 C ATOM 495 O ARG A 37 7.116 4.671 -6.473 1.00 0.00 O ATOM 496 CB ARG A 37 7.756 7.016 -7.930 1.00 0.00 C ATOM 497 CG ARG A 37 7.665 8.379 -8.624 1.00 0.00 C ATOM 498 CD ARG A 37 9.063 8.817 -9.068 1.00 0.00 C ATOM 499 NE ARG A 37 9.371 7.980 -10.265 1.00 0.00 N ATOM 500 CZ ARG A 37 9.677 8.547 -11.402 1.00 0.00 C ATOM 501 NH1 ARG A 37 10.908 8.508 -11.839 1.00 0.00 N ATOM 502 NH2 ARG A 37 8.751 9.152 -12.101 1.00 0.00 N ATOM 0 H ARG A 37 8.750 8.241 -6.007 1.00 0.00 H new ATOM 0 HA ARG A 37 5.986 7.278 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.801 6.737 -7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.300 6.250 -8.556 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.000 8.317 -9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.239 9.118 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.084 9.879 -9.313 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.796 8.658 -8.277 1.00 0.00 H new ATOM 0 HE ARG A 37 9.343 6.963 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.628 8.035 -11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.148 8.950 -12.726 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.791 9.181 -11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.989 9.595 -12.988 1.00 0.00 H new ATOM 516 N SER A 38 7.368 5.741 -4.548 1.00 0.00 N ATOM 517 CA SER A 38 7.519 4.495 -3.728 1.00 0.00 C ATOM 518 C SER A 38 6.714 3.314 -4.299 1.00 0.00 C ATOM 519 O SER A 38 5.500 3.353 -4.374 1.00 0.00 O ATOM 520 CB SER A 38 6.988 4.904 -2.354 1.00 0.00 C ATOM 521 OG SER A 38 7.837 5.905 -1.811 1.00 0.00 O ATOM 0 H SER A 38 7.425 6.603 -4.006 1.00 0.00 H new ATOM 0 HA SER A 38 8.550 4.143 -3.708 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.969 5.281 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.953 4.040 -1.691 1.00 0.00 H new ATOM 0 HG SER A 38 7.488 6.791 -2.042 1.00 0.00 H new ATOM 527 N THR A 39 7.398 2.268 -4.703 1.00 0.00 N ATOM 528 CA THR A 39 6.702 1.071 -5.277 1.00 0.00 C ATOM 529 C THR A 39 7.088 -0.198 -4.502 1.00 0.00 C ATOM 530 O THR A 39 8.097 -0.241 -3.824 1.00 0.00 O ATOM 531 CB THR A 39 7.189 0.981 -6.730 1.00 0.00 C ATOM 532 OG1 THR A 39 6.707 2.102 -7.457 1.00 0.00 O ATOM 533 CG2 THR A 39 6.667 -0.309 -7.380 1.00 0.00 C ATOM 0 H THR A 39 8.414 2.192 -4.659 1.00 0.00 H new ATOM 0 HA THR A 39 5.618 1.161 -5.215 1.00 0.00 H new ATOM 0 HB THR A 39 8.279 0.972 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.053 2.926 -7.055 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.017 -0.365 -8.411 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.036 -1.171 -6.824 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.577 -0.308 -7.367 1.00 0.00 H new ATOM 541 N ILE A 40 6.285 -1.229 -4.605 1.00 0.00 N ATOM 542 CA ILE A 40 6.593 -2.509 -3.880 1.00 0.00 C ATOM 543 C ILE A 40 7.481 -3.422 -4.753 1.00 0.00 C ATOM 544 O ILE A 40 7.677 -3.166 -5.925 1.00 0.00 O ATOM 545 CB ILE A 40 5.224 -3.153 -3.630 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.339 -2.196 -2.822 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.401 -4.444 -2.837 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.535 -1.309 -3.770 1.00 0.00 C ATOM 0 H ILE A 40 5.429 -1.243 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 40 7.141 -2.342 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 40 4.755 -3.368 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.665 -2.764 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.956 -1.580 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.426 -4.899 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.028 -5.135 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.876 -4.222 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.908 -0.631 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.217 -0.730 -4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.905 -1.932 -4.405 1.00 0.00 H new ATOM 560 N VAL A 41 8.016 -4.487 -4.188 1.00 0.00 N ATOM 561 CA VAL A 41 8.889 -5.415 -4.995 1.00 0.00 C ATOM 562 C VAL A 41 8.613 -6.877 -4.635 1.00 0.00 C ATOM 563 O VAL A 41 7.874 -7.170 -3.714 1.00 0.00 O ATOM 564 CB VAL A 41 10.358 -5.066 -4.674 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.000 -4.401 -5.895 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.459 -4.107 -3.483 1.00 0.00 C ATOM 0 H VAL A 41 7.888 -4.753 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 41 8.680 -5.292 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 41 10.876 -5.991 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.038 -4.153 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.965 -5.086 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.455 -3.490 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.507 -3.882 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.927 -3.184 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.015 -4.572 -2.603 1.00 0.00 H new ATOM 576 N PRO A 42 9.227 -7.748 -5.397 1.00 0.00 N ATOM 577 CA PRO A 42 9.061 -9.211 -5.191 1.00 0.00 C ATOM 578 C PRO A 42 9.654 -9.662 -3.852 1.00 0.00 C ATOM 579 O PRO A 42 9.178 -10.602 -3.247 1.00 0.00 O ATOM 580 CB PRO A 42 9.828 -9.814 -6.359 1.00 0.00 C ATOM 581 CG PRO A 42 10.816 -8.773 -6.754 1.00 0.00 C ATOM 582 CD PRO A 42 10.140 -7.459 -6.513 1.00 0.00 C ATOM 0 HA PRO A 42 8.015 -9.517 -5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.325 -10.739 -6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.160 -10.057 -7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.729 -8.857 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.100 -8.881 -7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.857 -6.679 -6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.600 -7.116 -7.396 1.00 0.00 H new ATOM 590 N GLU A 43 10.675 -8.992 -3.381 1.00 0.00 N ATOM 591 CA GLU A 43 11.286 -9.372 -2.071 1.00 0.00 C ATOM 592 C GLU A 43 10.424 -8.855 -0.905 1.00 0.00 C ATOM 593 O GLU A 43 10.796 -8.974 0.246 1.00 0.00 O ATOM 594 CB GLU A 43 12.673 -8.711 -2.061 1.00 0.00 C ATOM 595 CG GLU A 43 12.534 -7.188 -1.941 1.00 0.00 C ATOM 596 CD GLU A 43 13.921 -6.542 -1.989 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.510 -6.526 -3.058 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.371 -6.070 -0.957 1.00 0.00 O ATOM 0 H GLU A 43 11.112 -8.197 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 43 11.356 -10.453 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 43 13.261 -9.096 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.211 -8.963 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.914 -6.804 -2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.034 -6.930 -1.008 1.00 0.00 H new ATOM 605 N MET A 44 9.281 -8.277 -1.196 1.00 0.00 N ATOM 606 CA MET A 44 8.401 -7.745 -0.117 1.00 0.00 C ATOM 607 C MET A 44 7.101 -8.563 0.003 1.00 0.00 C ATOM 608 O MET A 44 6.273 -8.269 0.836 1.00 0.00 O ATOM 609 CB MET A 44 8.098 -6.316 -0.547 1.00 0.00 C ATOM 610 CG MET A 44 9.409 -5.564 -0.750 1.00 0.00 C ATOM 611 SD MET A 44 9.122 -3.791 -0.580 1.00 0.00 S ATOM 612 CE MET A 44 10.861 -3.307 -0.569 1.00 0.00 C ATOM 0 H MET A 44 8.922 -8.153 -2.143 1.00 0.00 H new ATOM 0 HA MET A 44 8.878 -7.798 0.862 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.519 -6.317 -1.470 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.492 -5.817 0.209 1.00 0.00 H new ATOM 0 HG2 MET A 44 10.147 -5.895 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.817 -5.784 -1.737 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.994 -2.414 -1.179 1.00 0.00 H new ATOM 0 HE2 MET A 44 11.174 -3.097 0.454 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.467 -4.117 -0.975 1.00 0.00 H new ATOM 622 N VAL A 45 6.931 -9.572 -0.832 1.00 0.00 N ATOM 623 CA VAL A 45 5.697 -10.455 -0.847 1.00 0.00 C ATOM 624 C VAL A 45 5.137 -10.866 0.552 1.00 0.00 C ATOM 625 O VAL A 45 4.099 -11.497 0.625 1.00 0.00 O ATOM 626 CB VAL A 45 6.161 -11.699 -1.637 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.535 -12.167 -1.134 1.00 0.00 C ATOM 628 CG2 VAL A 45 5.155 -12.845 -1.478 1.00 0.00 C ATOM 0 H VAL A 45 7.624 -9.832 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 45 4.858 -9.914 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 45 6.230 -11.423 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.850 -13.044 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.264 -11.368 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.468 -12.422 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.499 -13.712 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.067 -13.109 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.182 -12.530 -1.855 1.00 0.00 H new ATOM 638 N GLY A 46 5.769 -10.525 1.647 1.00 0.00 N ATOM 639 CA GLY A 46 5.217 -10.916 2.980 1.00 0.00 C ATOM 640 C GLY A 46 5.334 -9.751 3.972 1.00 0.00 C ATOM 641 O GLY A 46 5.565 -9.960 5.147 1.00 0.00 O ATOM 0 H GLY A 46 6.640 -9.995 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.172 -11.209 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.755 -11.783 3.363 1.00 0.00 H new ATOM 645 N HIS A 47 5.177 -8.524 3.517 1.00 0.00 N ATOM 646 CA HIS A 47 5.287 -7.358 4.458 1.00 0.00 C ATOM 647 C HIS A 47 4.304 -6.251 4.075 1.00 0.00 C ATOM 648 O HIS A 47 3.951 -6.090 2.925 1.00 0.00 O ATOM 649 CB HIS A 47 6.724 -6.828 4.333 1.00 0.00 C ATOM 650 CG HIS A 47 7.708 -7.965 4.297 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.243 -8.528 5.444 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.253 -8.653 3.249 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.071 -9.516 5.058 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.115 -9.634 3.728 1.00 0.00 N ATOM 0 H HIS A 47 4.980 -8.283 2.546 1.00 0.00 H new ATOM 0 HA HIS A 47 5.054 -7.669 5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.819 -6.230 3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.949 -6.172 5.174 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.046 -8.246 6.404 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.046 -8.463 2.206 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.632 -10.138 5.740 1.00 0.00 H new ATOM 662 N THR A 48 3.899 -5.465 5.039 1.00 0.00 N ATOM 663 CA THR A 48 2.972 -4.333 4.767 1.00 0.00 C ATOM 664 C THR A 48 3.824 -3.068 4.693 1.00 0.00 C ATOM 665 O THR A 48 4.130 -2.449 5.692 1.00 0.00 O ATOM 666 CB THR A 48 2.000 -4.285 5.964 1.00 0.00 C ATOM 667 OG1 THR A 48 2.054 -5.507 6.693 1.00 0.00 O ATOM 668 CG2 THR A 48 0.574 -4.066 5.459 1.00 0.00 C ATOM 0 H THR A 48 4.177 -5.563 6.015 1.00 0.00 H new ATOM 0 HA THR A 48 2.410 -4.434 3.838 1.00 0.00 H new ATOM 0 HB THR A 48 2.292 -3.464 6.618 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.742 -6.241 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.111 -4.032 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.522 -3.124 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.293 -4.885 4.797 1.00 0.00 H new ATOM 676 N ILE A 49 4.256 -2.708 3.522 1.00 0.00 N ATOM 677 CA ILE A 49 5.140 -1.514 3.400 1.00 0.00 C ATOM 678 C ILE A 49 4.326 -0.242 3.218 1.00 0.00 C ATOM 679 O ILE A 49 3.576 -0.106 2.272 1.00 0.00 O ATOM 680 CB ILE A 49 6.021 -1.810 2.183 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.055 -2.864 2.587 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.737 -0.535 1.722 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.968 -4.062 1.647 1.00 0.00 C ATOM 0 H ILE A 49 4.039 -3.183 2.646 1.00 0.00 H new ATOM 0 HA ILE A 49 5.736 -1.344 4.297 1.00 0.00 H new ATOM 0 HB ILE A 49 5.406 -2.175 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.057 -2.436 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.880 -3.183 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.360 -0.760 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.998 0.219 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.363 -0.157 2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.706 -4.809 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.970 -4.497 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.165 -3.738 0.625 1.00 0.00 H new ATOM 695 N ALA A 50 4.484 0.698 4.119 1.00 0.00 N ATOM 696 CA ALA A 50 3.733 1.974 3.996 1.00 0.00 C ATOM 697 C ALA A 50 4.382 2.832 2.918 1.00 0.00 C ATOM 698 O ALA A 50 5.108 3.771 3.191 1.00 0.00 O ATOM 699 CB ALA A 50 3.793 2.637 5.368 1.00 0.00 C ATOM 0 H ALA A 50 5.100 0.632 4.929 1.00 0.00 H new ATOM 0 HA ALA A 50 2.694 1.825 3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.255 3.584 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.334 1.982 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.833 2.819 5.639 1.00 0.00 H new ATOM 705 N VAL A 51 4.121 2.486 1.687 1.00 0.00 N ATOM 706 CA VAL A 51 4.708 3.235 0.536 1.00 0.00 C ATOM 707 C VAL A 51 4.341 4.716 0.619 1.00 0.00 C ATOM 708 O VAL A 51 3.193 5.071 0.819 1.00 0.00 O ATOM 709 CB VAL A 51 4.090 2.607 -0.724 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.444 1.117 -0.793 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.564 2.773 -0.691 1.00 0.00 C ATOM 0 H VAL A 51 3.518 1.706 1.425 1.00 0.00 H new ATOM 0 HA VAL A 51 5.796 3.173 0.530 1.00 0.00 H new ATOM 0 HB VAL A 51 4.489 3.111 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.003 0.679 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.527 1.002 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.054 0.609 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.130 2.327 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.163 2.277 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.314 3.833 -0.657 1.00 0.00 H new ATOM 721 N TYR A 52 5.302 5.584 0.454 1.00 0.00 N ATOM 722 CA TYR A 52 4.995 7.037 0.507 1.00 0.00 C ATOM 723 C TYR A 52 4.343 7.457 -0.812 1.00 0.00 C ATOM 724 O TYR A 52 5.003 7.594 -1.826 1.00 0.00 O ATOM 725 CB TYR A 52 6.342 7.743 0.708 1.00 0.00 C ATOM 726 CG TYR A 52 6.114 9.194 1.066 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.293 9.531 2.149 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.731 10.202 0.318 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.092 10.874 2.485 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.529 11.546 0.652 1.00 0.00 C ATOM 731 CZ TYR A 52 5.710 11.882 1.736 1.00 0.00 C ATOM 732 OH TYR A 52 5.511 13.207 2.067 1.00 0.00 O ATOM 0 H TYR A 52 6.280 5.349 0.286 1.00 0.00 H new ATOM 0 HA TYR A 52 4.304 7.292 1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.907 7.249 1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.938 7.673 -0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.814 8.753 2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.364 9.943 -0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.460 11.133 3.322 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.005 12.324 0.073 1.00 0.00 H new ATOM 0 HH TYR A 52 5.044 13.661 1.334 1.00 0.00 H new ATOM 742 N ASN A 53 3.047 7.666 -0.802 1.00 0.00 N ATOM 743 CA ASN A 53 2.338 8.087 -2.052 1.00 0.00 C ATOM 744 C ASN A 53 2.720 9.532 -2.426 1.00 0.00 C ATOM 745 O ASN A 53 2.237 10.082 -3.399 1.00 0.00 O ATOM 746 CB ASN A 53 0.847 7.982 -1.692 1.00 0.00 C ATOM 747 CG ASN A 53 -0.014 8.608 -2.792 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.250 7.999 -3.818 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.496 9.809 -2.620 1.00 0.00 N ATOM 0 H ASN A 53 2.450 7.563 0.019 1.00 0.00 H new ATOM 0 HA ASN A 53 2.597 7.473 -2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.572 6.936 -1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.659 8.486 -0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.071 10.237 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.298 10.320 -1.759 1.00 0.00 H new ATOM 756 N GLY A 54 3.571 10.153 -1.646 1.00 0.00 N ATOM 757 CA GLY A 54 3.973 11.561 -1.918 1.00 0.00 C ATOM 758 C GLY A 54 3.584 12.400 -0.699 1.00 0.00 C ATOM 759 O GLY A 54 4.145 13.448 -0.447 1.00 0.00 O ATOM 0 H GLY A 54 4.007 9.736 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.046 11.624 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.476 11.934 -2.813 1.00 0.00 H new ATOM 763 N LYS A 55 2.620 11.926 0.057 1.00 0.00 N ATOM 764 CA LYS A 55 2.168 12.660 1.275 1.00 0.00 C ATOM 765 C LYS A 55 1.868 11.688 2.429 1.00 0.00 C ATOM 766 O LYS A 55 1.966 12.049 3.587 1.00 0.00 O ATOM 767 CB LYS A 55 0.886 13.407 0.871 1.00 0.00 C ATOM 768 CG LYS A 55 0.041 12.569 -0.101 1.00 0.00 C ATOM 769 CD LYS A 55 0.317 13.015 -1.540 1.00 0.00 C ATOM 770 CE LYS A 55 -0.993 13.031 -2.333 1.00 0.00 C ATOM 771 NZ LYS A 55 -0.581 13.042 -3.766 1.00 0.00 N ATOM 0 H LYS A 55 2.125 11.053 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 55 2.943 13.341 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.300 13.638 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.147 14.357 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.278 11.511 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.018 12.685 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.768 14.007 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.031 12.339 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.602 12.156 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.591 13.909 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.427 13.053 -4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.008 13.889 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.019 12.191 -3.972 1.00 0.00 H new ATOM 785 N GLN A 56 1.468 10.473 2.125 1.00 0.00 N ATOM 786 CA GLN A 56 1.122 9.500 3.206 1.00 0.00 C ATOM 787 C GLN A 56 1.831 8.152 3.020 1.00 0.00 C ATOM 788 O GLN A 56 2.181 7.760 1.923 1.00 0.00 O ATOM 789 CB GLN A 56 -0.406 9.371 3.083 1.00 0.00 C ATOM 790 CG GLN A 56 -0.828 7.968 2.626 1.00 0.00 C ATOM 791 CD GLN A 56 -1.626 7.283 3.739 1.00 0.00 C ATOM 792 OE1 GLN A 56 -2.816 7.071 3.605 1.00 0.00 O ATOM 793 NE2 GLN A 56 -1.021 6.923 4.838 1.00 0.00 N ATOM 0 H GLN A 56 1.367 10.117 1.175 1.00 0.00 H new ATOM 0 HA GLN A 56 1.442 9.833 4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.867 9.593 4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.777 10.111 2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.432 8.036 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.052 7.375 2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.023 7.100 4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.546 6.465 5.583 1.00 0.00 H new ATOM 802 N HIS A 57 2.005 7.434 4.102 1.00 0.00 N ATOM 803 CA HIS A 57 2.644 6.089 4.044 1.00 0.00 C ATOM 804 C HIS A 57 1.539 5.028 4.103 1.00 0.00 C ATOM 805 O HIS A 57 0.962 4.793 5.146 1.00 0.00 O ATOM 806 CB HIS A 57 3.532 5.991 5.296 1.00 0.00 C ATOM 807 CG HIS A 57 4.199 7.311 5.587 1.00 0.00 C ATOM 808 ND1 HIS A 57 3.864 8.078 6.692 1.00 0.00 N ATOM 809 CD2 HIS A 57 5.172 8.014 4.925 1.00 0.00 C ATOM 810 CE1 HIS A 57 4.624 9.187 6.662 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.439 9.198 5.605 1.00 0.00 N ATOM 0 H HIS A 57 1.725 7.731 5.037 1.00 0.00 H new ATOM 0 HA HIS A 57 3.227 5.939 3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.929 5.687 6.152 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.289 5.221 5.150 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.168 7.844 7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.658 7.697 4.014 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.580 9.972 7.402 1.00 0.00 H new ATOM 819 N VAL A 58 1.224 4.401 2.997 1.00 0.00 N ATOM 820 CA VAL A 58 0.137 3.366 3.004 1.00 0.00 C ATOM 821 C VAL A 58 0.744 1.971 3.216 1.00 0.00 C ATOM 822 O VAL A 58 1.281 1.393 2.288 1.00 0.00 O ATOM 823 CB VAL A 58 -0.526 3.468 1.622 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.741 2.539 1.566 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.983 4.911 1.370 1.00 0.00 C ATOM 0 H VAL A 58 1.668 4.558 2.092 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.583 3.525 3.806 1.00 0.00 H new ATOM 0 HB VAL A 58 0.195 3.176 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.210 2.612 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.422 1.511 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.458 2.831 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.452 4.978 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.701 5.204 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.121 5.577 1.406 1.00 0.00 H new ATOM 835 N PRO A 59 0.651 1.476 4.439 1.00 0.00 N ATOM 836 CA PRO A 59 1.216 0.138 4.779 1.00 0.00 C ATOM 837 C PRO A 59 0.452 -0.947 4.039 1.00 0.00 C ATOM 838 O PRO A 59 -0.546 -1.466 4.506 1.00 0.00 O ATOM 839 CB PRO A 59 1.024 0.034 6.291 1.00 0.00 C ATOM 840 CG PRO A 59 -0.105 0.964 6.589 1.00 0.00 C ATOM 841 CD PRO A 59 0.010 2.094 5.602 1.00 0.00 C ATOM 0 HA PRO A 59 2.261 0.019 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.788 -0.987 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.928 0.323 6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.064 0.456 6.489 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.045 1.334 7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.967 2.506 5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.608 2.914 6.000 1.00 0.00 H new ATOM 849 N VAL A 60 0.916 -1.264 2.872 1.00 0.00 N ATOM 850 CA VAL A 60 0.234 -2.299 2.045 1.00 0.00 C ATOM 851 C VAL A 60 0.962 -3.638 2.104 1.00 0.00 C ATOM 852 O VAL A 60 2.143 -3.723 1.832 1.00 0.00 O ATOM 853 CB VAL A 60 0.268 -1.776 0.604 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.486 -0.448 0.504 1.00 0.00 C ATOM 855 CG2 VAL A 60 1.718 -1.587 0.129 1.00 0.00 C ATOM 0 H VAL A 60 1.746 -0.850 2.447 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.779 -2.466 2.411 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.217 -2.512 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.454 -0.088 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.523 -0.595 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.018 0.286 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.720 -1.215 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.222 -0.869 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.242 -2.542 0.169 1.00 0.00 H new ATOM 865 N TYR A 61 0.262 -4.695 2.417 1.00 0.00 N ATOM 866 CA TYR A 61 0.923 -6.027 2.430 1.00 0.00 C ATOM 867 C TYR A 61 1.244 -6.410 0.983 1.00 0.00 C ATOM 868 O TYR A 61 0.359 -6.624 0.177 1.00 0.00 O ATOM 869 CB TYR A 61 -0.079 -7.002 3.045 1.00 0.00 C ATOM 870 CG TYR A 61 0.676 -8.165 3.641 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.240 -9.138 2.804 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.815 -8.269 5.028 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.940 -10.212 3.356 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.517 -9.343 5.581 1.00 0.00 C ATOM 875 CZ TYR A 61 2.080 -10.316 4.746 1.00 0.00 C ATOM 876 OH TYR A 61 2.773 -11.377 5.292 1.00 0.00 O ATOM 0 H TYR A 61 -0.728 -4.693 2.661 1.00 0.00 H new ATOM 0 HA TYR A 61 1.850 -6.034 3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.669 -6.502 3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.777 -7.355 2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.133 -9.057 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.380 -7.519 5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.374 -10.963 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.625 -9.423 6.653 1.00 0.00 H new ATOM 0 HH TYR A 61 2.777 -11.297 6.269 1.00 0.00 H new ATOM 886 N ILE A 62 2.506 -6.452 0.648 1.00 0.00 N ATOM 887 CA ILE A 62 2.925 -6.774 -0.755 1.00 0.00 C ATOM 888 C ILE A 62 2.259 -8.058 -1.256 1.00 0.00 C ATOM 889 O ILE A 62 1.702 -8.097 -2.332 1.00 0.00 O ATOM 890 CB ILE A 62 4.434 -7.008 -0.692 1.00 0.00 C ATOM 891 CG1 ILE A 62 5.217 -5.794 -0.137 1.00 0.00 C ATOM 892 CG2 ILE A 62 4.950 -7.330 -2.094 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.324 -4.575 0.112 1.00 0.00 C ATOM 0 H ILE A 62 3.277 -6.275 1.292 1.00 0.00 H new ATOM 0 HA ILE A 62 2.642 -5.967 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 62 4.598 -7.839 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.705 -6.078 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.005 -5.524 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.026 -7.498 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.456 -8.227 -2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.737 -6.495 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.928 -3.755 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.856 -4.269 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.551 -4.832 0.837 1.00 0.00 H new ATOM 905 N THR A 63 2.358 -9.116 -0.488 1.00 0.00 N ATOM 906 CA THR A 63 1.781 -10.431 -0.898 1.00 0.00 C ATOM 907 C THR A 63 2.446 -10.900 -2.200 1.00 0.00 C ATOM 908 O THR A 63 3.180 -10.166 -2.837 1.00 0.00 O ATOM 909 CB THR A 63 0.271 -10.205 -1.091 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.215 -9.312 -0.097 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.466 -11.539 -0.969 1.00 0.00 C ATOM 0 H THR A 63 2.822 -9.122 0.420 1.00 0.00 H new ATOM 0 HA THR A 63 1.954 -11.204 -0.149 1.00 0.00 H new ATOM 0 HB THR A 63 0.099 -9.778 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.176 -9.171 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.535 -11.378 -1.106 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.102 -12.227 -1.732 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.287 -11.965 0.018 1.00 0.00 H new ATOM 919 N GLU A 64 2.212 -12.119 -2.596 1.00 0.00 N ATOM 920 CA GLU A 64 2.850 -12.627 -3.851 1.00 0.00 C ATOM 921 C GLU A 64 2.076 -12.176 -5.103 1.00 0.00 C ATOM 922 O GLU A 64 2.415 -12.563 -6.206 1.00 0.00 O ATOM 923 CB GLU A 64 2.814 -14.157 -3.740 1.00 0.00 C ATOM 924 CG GLU A 64 1.371 -14.645 -3.550 1.00 0.00 C ATOM 925 CD GLU A 64 0.986 -15.576 -4.703 1.00 0.00 C ATOM 926 OE1 GLU A 64 0.540 -15.074 -5.722 1.00 0.00 O ATOM 927 OE2 GLU A 64 1.145 -16.776 -4.548 1.00 0.00 O ATOM 0 H GLU A 64 1.611 -12.785 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 64 3.863 -12.239 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.240 -14.603 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.428 -14.482 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.276 -15.169 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.691 -13.794 -3.514 1.00 0.00 H new ATOM 934 N ASN A 65 1.032 -11.389 -4.956 1.00 0.00 N ATOM 935 CA ASN A 65 0.257 -10.969 -6.165 1.00 0.00 C ATOM 936 C ASN A 65 -0.244 -9.511 -6.085 1.00 0.00 C ATOM 937 O ASN A 65 -0.907 -9.045 -6.994 1.00 0.00 O ATOM 938 CB ASN A 65 -0.917 -11.955 -6.219 1.00 0.00 C ATOM 939 CG ASN A 65 -1.960 -11.596 -5.152 1.00 0.00 C ATOM 940 OD1 ASN A 65 -2.897 -10.872 -5.424 1.00 0.00 O ATOM 941 ND2 ASN A 65 -1.837 -12.078 -3.945 1.00 0.00 N ATOM 0 H ASN A 65 0.690 -11.026 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 65 0.878 -10.992 -7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.375 -11.933 -7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.556 -12.971 -6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.527 -11.847 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.051 -12.686 -3.716 1.00 0.00 H new ATOM 948 N MET A 66 0.063 -8.774 -5.037 1.00 0.00 N ATOM 949 CA MET A 66 -0.413 -7.352 -4.973 1.00 0.00 C ATOM 950 C MET A 66 0.722 -6.392 -5.379 1.00 0.00 C ATOM 951 O MET A 66 0.490 -5.234 -5.660 1.00 0.00 O ATOM 952 CB MET A 66 -0.845 -7.126 -3.521 1.00 0.00 C ATOM 953 CG MET A 66 -1.911 -8.153 -3.124 1.00 0.00 C ATOM 954 SD MET A 66 -3.480 -7.736 -3.924 1.00 0.00 S ATOM 955 CE MET A 66 -4.484 -9.020 -3.138 1.00 0.00 C ATOM 0 H MET A 66 0.613 -9.090 -4.238 1.00 0.00 H new ATOM 0 HA MET A 66 -1.238 -7.163 -5.659 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.017 -7.211 -2.859 1.00 0.00 H new ATOM 0 HB3 MET A 66 -1.239 -6.117 -3.403 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.595 -9.153 -3.419 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.035 -8.164 -2.041 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.478 -9.028 -3.584 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.012 -9.992 -3.285 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.567 -8.815 -2.071 1.00 0.00 H new ATOM 965 N VAL A 67 1.947 -6.870 -5.412 1.00 0.00 N ATOM 966 CA VAL A 67 3.113 -6.001 -5.792 1.00 0.00 C ATOM 967 C VAL A 67 3.157 -5.713 -7.302 1.00 0.00 C ATOM 968 O VAL A 67 2.473 -6.341 -8.089 1.00 0.00 O ATOM 969 CB VAL A 67 4.345 -6.821 -5.393 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.421 -8.096 -6.239 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.607 -5.990 -5.627 1.00 0.00 C ATOM 0 H VAL A 67 2.191 -7.835 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 67 3.054 -5.030 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 67 4.267 -7.090 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.299 -8.673 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.524 -8.694 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.494 -7.829 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.484 -6.572 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.675 -5.721 -6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.563 -5.083 -5.023 1.00 0.00 H new ATOM 981 N GLY A 68 3.998 -4.783 -7.701 1.00 0.00 N ATOM 982 CA GLY A 68 4.148 -4.460 -9.149 1.00 0.00 C ATOM 983 C GLY A 68 3.680 -3.036 -9.463 1.00 0.00 C ATOM 984 O GLY A 68 3.816 -2.584 -10.584 1.00 0.00 O ATOM 0 H GLY A 68 4.588 -4.234 -7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.192 -4.573 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.573 -5.171 -9.742 1.00 0.00 H new ATOM 988 N HIS A 69 3.122 -2.318 -8.513 1.00 0.00 N ATOM 989 CA HIS A 69 2.652 -0.943 -8.825 1.00 0.00 C ATOM 990 C HIS A 69 3.227 0.069 -7.829 1.00 0.00 C ATOM 991 O HIS A 69 4.230 0.701 -8.092 1.00 0.00 O ATOM 992 CB HIS A 69 1.124 -1.017 -8.716 1.00 0.00 C ATOM 993 CG HIS A 69 0.578 -1.868 -9.835 1.00 0.00 C ATOM 994 ND1 HIS A 69 -0.335 -1.379 -10.755 1.00 0.00 N ATOM 995 CD2 HIS A 69 0.806 -3.177 -10.193 1.00 0.00 C ATOM 996 CE1 HIS A 69 -0.619 -2.376 -11.614 1.00 0.00 C ATOM 997 NE2 HIS A 69 0.049 -3.492 -11.317 1.00 0.00 N ATOM 0 H HIS A 69 2.977 -2.626 -7.551 1.00 0.00 H new ATOM 0 HA HIS A 69 2.975 -0.611 -9.812 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.838 -1.438 -7.752 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.697 -0.015 -8.765 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.471 -3.856 -9.680 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.305 -2.284 -12.443 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.013 -4.385 -11.809 1.00 0.00 H new ATOM 1005 N LYS A 70 2.582 0.232 -6.702 1.00 0.00 N ATOM 1006 CA LYS A 70 3.049 1.208 -5.667 1.00 0.00 C ATOM 1007 C LYS A 70 2.088 1.206 -4.468 1.00 0.00 C ATOM 1008 O LYS A 70 2.471 1.471 -3.347 1.00 0.00 O ATOM 1009 CB LYS A 70 3.046 2.577 -6.368 1.00 0.00 C ATOM 1010 CG LYS A 70 1.615 3.106 -6.446 1.00 0.00 C ATOM 1011 CD LYS A 70 0.870 2.484 -7.632 1.00 0.00 C ATOM 1012 CE LYS A 70 1.536 2.905 -8.947 1.00 0.00 C ATOM 1013 NZ LYS A 70 0.544 2.576 -10.010 1.00 0.00 N ATOM 0 H LYS A 70 1.736 -0.279 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 70 4.037 0.959 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.675 3.279 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.466 2.486 -7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.087 2.879 -5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.628 4.191 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.873 1.398 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.173 2.802 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.773 3.969 -8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.473 2.370 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.044 2.279 -10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.071 1.804 -9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.034 3.415 -10.217 1.00 0.00 H new ATOM 1027 N LEU A 71 0.843 0.906 -4.739 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.236 0.867 -3.696 1.00 0.00 C ATOM 1029 C LEU A 71 -1.622 0.690 -4.363 1.00 0.00 C ATOM 1030 O LEU A 71 -2.582 0.333 -3.708 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.182 2.217 -2.956 1.00 0.00 C ATOM 1032 CG LEU A 71 -0.720 3.340 -3.852 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.181 3.628 -3.493 1.00 0.00 C ATOM 1034 CD2 LEU A 71 0.115 4.606 -3.637 1.00 0.00 C ATOM 0 H LEU A 71 0.515 0.677 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.086 0.032 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.770 2.161 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.844 2.437 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.657 3.032 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.562 4.426 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.777 2.728 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.245 3.935 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.266 5.405 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.051 4.911 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.155 4.404 -3.892 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.735 0.948 -5.658 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.048 0.811 -6.358 1.00 0.00 C ATOM 1048 C GLY A 72 -3.456 -0.662 -6.466 1.00 0.00 C ATOM 1049 O GLY A 72 -4.614 -0.969 -6.663 1.00 0.00 O ATOM 0 H GLY A 72 -0.963 1.249 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.814 1.366 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.982 1.249 -7.354 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.528 -1.574 -6.317 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.887 -3.025 -6.391 1.00 0.00 C ATOM 1055 C GLU A 73 -3.374 -3.492 -5.023 1.00 0.00 C ATOM 1056 O GLU A 73 -4.100 -4.460 -4.901 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.599 -3.749 -6.770 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.416 -3.711 -8.285 1.00 0.00 C ATOM 1059 CD GLU A 73 -2.458 -4.608 -8.958 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -2.296 -5.816 -8.901 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -3.399 -4.072 -9.518 1.00 0.00 O ATOM 0 H GLU A 73 -1.541 -1.379 -6.148 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.679 -3.220 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.747 -3.278 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.635 -4.782 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.516 -2.688 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.412 -4.045 -8.547 1.00 0.00 H new