USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 41 LYS NZ :NH3+ 150:sc= 0.871 (180deg=-1.05) USER MOD Set 1.2: A 78 TYR OH : rot 9:sc= 0.119 USER MOD Set 2.1: A 31 HIS : no HD1:sc= 0.0555 K(o=0.24,f=-0.62) USER MOD Set 2.2: A 61 SER OG : rot 48:sc= 0.187 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -2.46 K(o=-4.1,f=-4.8!) USER MOD Set 3.2: A 21 ASN : amide:sc= -1.61 K(o=-4.1,f=-3) USER MOD Set 4.1: A 8 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.07) USER MOD Set 4.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -155:sc= -0.335 (180deg=-1.1) USER MOD Single : A 11 SER OG : rot 111:sc= 0.652 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.0966 (180deg=-0.329) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -139:sc= 0.145 USER MOD Single : A 33 SER OG : rot 90:sc= 0.477 USER MOD Single : A 42 ASN : amide:sc= -2.92! C(o=-2.9!,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0.689 K(o=2.6,f=-10!) USER MOD Single : A 52 SER OG : rot -11:sc= 1.05 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 130:sc= -0.338 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 22:sc= 0.314 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 84 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-8.6!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.353 K(o=-0.35,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -115:sc= -0.0775 (180deg=-2.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.825 -6.893 7.679 1.00 0.00 N ATOM 2 CA MET A 6 5.481 -7.030 7.149 1.00 0.00 C ATOM 3 C MET A 6 4.862 -5.648 6.982 1.00 0.00 C ATOM 4 O MET A 6 5.242 -4.706 7.676 1.00 0.00 O ATOM 5 CB MET A 6 4.638 -7.892 8.095 1.00 0.00 C ATOM 6 CG MET A 6 3.273 -8.274 7.541 1.00 0.00 C ATOM 7 SD MET A 6 2.378 -9.408 8.622 1.00 0.00 S ATOM 8 CE MET A 6 3.521 -10.788 8.681 1.00 0.00 C ATOM 0 HA MET A 6 5.515 -7.520 6.176 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.191 -8.802 8.329 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.499 -7.354 9.033 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.679 -7.372 7.395 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.399 -8.735 6.561 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.975 -11.703 8.909 1.00 0.00 H new ATOM 0 HE2 MET A 6 4.016 -10.892 7.716 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.268 -10.609 9.454 1.00 0.00 H new ATOM 17 N ILE A 7 3.921 -5.528 6.060 1.00 0.00 N ATOM 18 CA ILE A 7 3.304 -4.242 5.764 1.00 0.00 C ATOM 19 C ILE A 7 2.107 -4.016 6.677 1.00 0.00 C ATOM 20 O ILE A 7 1.439 -4.970 7.074 1.00 0.00 O ATOM 21 CB ILE A 7 2.786 -4.183 4.301 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.690 -4.969 3.346 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.655 -2.746 3.817 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.970 -5.428 2.089 1.00 0.00 C ATOM 0 H ILE A 7 3.566 -6.305 5.502 1.00 0.00 H new ATOM 0 HA ILE A 7 4.067 -3.479 5.916 1.00 0.00 H new ATOM 0 HB ILE A 7 1.799 -4.646 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.540 -4.347 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.090 -5.839 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.290 -2.740 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.952 -2.210 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.629 -2.258 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.663 -5.979 1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.137 -6.075 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.593 -4.560 1.548 1.00 0.00 H new ATOM 36 N GLN A 8 1.838 -2.761 7.010 1.00 0.00 N ATOM 37 CA GLN A 8 0.635 -2.423 7.743 1.00 0.00 C ATOM 38 C GLN A 8 -0.095 -1.285 7.042 1.00 0.00 C ATOM 39 O GLN A 8 0.420 -0.172 6.935 1.00 0.00 O ATOM 40 CB GLN A 8 0.961 -2.049 9.190 1.00 0.00 C ATOM 41 CG GLN A 8 1.484 -3.224 10.025 1.00 0.00 C ATOM 42 CD GLN A 8 1.511 -2.915 11.509 1.00 0.00 C ATOM 43 OE1 GLN A 8 2.379 -3.389 12.244 1.00 0.00 O ATOM 44 NE2 GLN A 8 0.537 -2.143 11.967 1.00 0.00 N ATOM 0 H GLN A 8 2.436 -1.966 6.784 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.015 -3.297 7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.706 -1.253 9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.065 -1.648 9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.856 -4.098 9.850 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.489 -3.483 9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.163 -1.770 11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.487 -1.921 12.961 1.00 0.00 H new ATOM 53 N VAL A 9 -1.286 -1.581 6.538 1.00 0.00 N ATOM 54 CA VAL A 9 -2.098 -0.585 5.847 1.00 0.00 C ATOM 55 C VAL A 9 -3.037 0.130 6.813 1.00 0.00 C ATOM 56 O VAL A 9 -3.453 -0.428 7.829 1.00 0.00 O ATOM 57 CB VAL A 9 -2.923 -1.210 4.695 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.057 -1.411 3.459 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.526 -2.532 5.136 1.00 0.00 C ATOM 0 H VAL A 9 -1.713 -2.506 6.595 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.404 0.139 5.421 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.730 -0.523 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.657 -1.851 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.665 -0.449 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.228 -2.077 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.103 -2.960 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.729 -3.220 5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.180 -2.366 5.992 1.00 0.00 H new ATOM 69 N TYR A 10 -3.353 1.372 6.475 1.00 0.00 N ATOM 70 CA TYR A 10 -4.153 2.256 7.318 1.00 0.00 C ATOM 71 C TYR A 10 -4.878 3.262 6.445 1.00 0.00 C ATOM 72 O TYR A 10 -4.615 3.349 5.244 1.00 0.00 O ATOM 73 CB TYR A 10 -3.271 3.025 8.309 1.00 0.00 C ATOM 74 CG TYR A 10 -2.860 2.236 9.541 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.526 2.172 9.939 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.804 1.561 10.311 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.149 1.460 11.064 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.430 0.847 11.436 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.105 0.801 11.805 1.00 0.00 C ATOM 80 OH TYR A 10 -1.735 0.098 12.931 1.00 0.00 O ATOM 0 H TYR A 10 -3.059 1.801 5.598 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.861 1.642 7.874 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.371 3.358 7.791 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.804 3.920 8.629 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.774 2.687 9.360 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.845 1.595 10.025 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.111 1.421 11.359 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.175 0.328 12.022 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.528 -0.307 13.339 1.00 0.00 H new ATOM 90 N SER A 11 -5.784 4.026 7.034 1.00 0.00 N ATOM 91 CA SER A 11 -6.434 5.105 6.313 1.00 0.00 C ATOM 92 C SER A 11 -6.459 6.370 7.173 1.00 0.00 C ATOM 93 O SER A 11 -6.341 6.307 8.399 1.00 0.00 O ATOM 94 CB SER A 11 -7.872 4.695 5.941 1.00 0.00 C ATOM 95 OG SER A 11 -8.676 4.606 7.104 1.00 0.00 O ATOM 0 H SER A 11 -6.084 3.919 8.003 1.00 0.00 H new ATOM 0 HA SER A 11 -5.874 5.309 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.298 5.424 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.861 3.735 5.424 1.00 0.00 H new ATOM 0 HG SER A 11 -9.331 5.335 7.106 1.00 0.00 H new ATOM 101 N ARG A 12 -6.597 7.519 6.513 1.00 0.00 N ATOM 102 CA ARG A 12 -6.622 8.813 7.209 1.00 0.00 C ATOM 103 C ARG A 12 -8.041 9.151 7.668 1.00 0.00 C ATOM 104 O ARG A 12 -8.237 9.955 8.579 1.00 0.00 O ATOM 105 CB ARG A 12 -6.089 9.934 6.287 1.00 0.00 C ATOM 106 CG ARG A 12 -5.432 11.101 7.024 1.00 0.00 C ATOM 107 CD ARG A 12 -6.456 12.042 7.641 1.00 0.00 C ATOM 108 NE ARG A 12 -5.833 13.158 8.350 1.00 0.00 N ATOM 109 CZ ARG A 12 -6.403 13.807 9.371 1.00 0.00 C ATOM 110 NH1 ARG A 12 -7.599 13.434 9.816 1.00 0.00 N ATOM 111 NH2 ARG A 12 -5.777 14.835 9.935 1.00 0.00 N ATOM 0 H ARG A 12 -6.693 7.585 5.500 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.978 8.739 8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.365 9.504 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.915 10.318 5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.780 10.713 7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.801 11.657 6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.106 12.431 6.857 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.088 11.484 8.332 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.907 13.460 8.048 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.084 12.651 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.031 13.931 10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.863 15.128 9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.210 15.331 10.714 1.00 0.00 H new ATOM 125 N HIS A 13 -9.022 8.517 7.050 1.00 0.00 N ATOM 126 CA HIS A 13 -10.414 8.897 7.239 1.00 0.00 C ATOM 127 C HIS A 13 -11.251 7.691 7.663 1.00 0.00 C ATOM 128 O HIS A 13 -10.789 6.552 7.582 1.00 0.00 O ATOM 129 CB HIS A 13 -10.967 9.471 5.931 1.00 0.00 C ATOM 130 CG HIS A 13 -10.104 10.531 5.308 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.263 10.238 4.260 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.994 11.847 5.608 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.668 11.373 3.947 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.077 12.378 4.734 1.00 0.00 N ATOM 0 H HIS A 13 -8.881 7.734 6.411 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.467 9.650 8.026 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -11.096 8.658 5.217 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.956 9.889 6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.525 12.377 6.385 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.942 11.479 3.155 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.767 13.349 4.692 1.00 0.00 H new ATOM 142 N PRO A 14 -12.487 7.926 8.140 1.00 0.00 N ATOM 143 CA PRO A 14 -13.417 6.846 8.463 1.00 0.00 C ATOM 144 C PRO A 14 -13.992 6.215 7.196 1.00 0.00 C ATOM 145 O PRO A 14 -14.461 6.928 6.308 1.00 0.00 O ATOM 146 CB PRO A 14 -14.537 7.517 9.269 1.00 0.00 C ATOM 147 CG PRO A 14 -14.198 8.975 9.356 1.00 0.00 C ATOM 148 CD PRO A 14 -13.061 9.253 8.403 1.00 0.00 C ATOM 0 HA PRO A 14 -12.924 6.045 9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.502 7.373 8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.613 7.078 10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.066 9.583 9.100 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.913 9.239 10.375 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.415 9.724 7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.326 9.926 8.844 1.00 0.00 H new ATOM 156 N ALA A 15 -13.928 4.886 7.110 1.00 0.00 N ATOM 157 CA ALA A 15 -14.447 4.139 5.959 1.00 0.00 C ATOM 158 C ALA A 15 -15.898 4.492 5.650 1.00 0.00 C ATOM 159 O ALA A 15 -16.807 4.014 6.333 1.00 0.00 O ATOM 160 CB ALA A 15 -14.349 2.639 6.233 1.00 0.00 C ATOM 0 H ALA A 15 -13.516 4.296 7.833 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.841 4.413 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.735 2.087 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.307 2.367 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.935 2.392 7.118 1.00 0.00 H new ATOM 166 N GLU A 16 -16.130 5.324 4.639 1.00 0.00 N ATOM 167 CA GLU A 16 -17.494 5.639 4.247 1.00 0.00 C ATOM 168 C GLU A 16 -17.849 4.992 2.907 1.00 0.00 C ATOM 169 O GLU A 16 -17.252 5.305 1.873 1.00 0.00 O ATOM 170 CB GLU A 16 -17.723 7.149 4.182 1.00 0.00 C ATOM 171 CG GLU A 16 -18.235 7.738 5.485 1.00 0.00 C ATOM 172 CD GLU A 16 -19.588 7.180 5.871 1.00 0.00 C ATOM 173 OE1 GLU A 16 -19.640 6.126 6.538 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.610 7.794 5.508 1.00 0.00 O ATOM 0 H GLU A 16 -15.405 5.783 4.087 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.151 5.228 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.788 7.640 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.437 7.367 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.519 7.533 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.304 8.822 5.390 1.00 0.00 H new ATOM 181 N ASN A 17 -18.826 4.095 2.944 1.00 0.00 N ATOM 182 CA ASN A 17 -19.277 3.352 1.772 1.00 0.00 C ATOM 183 C ASN A 17 -19.917 4.282 0.737 1.00 0.00 C ATOM 184 O ASN A 17 -21.083 4.660 0.849 1.00 0.00 O ATOM 185 CB ASN A 17 -20.245 2.228 2.256 1.00 0.00 C ATOM 186 CG ASN A 17 -19.511 0.982 2.741 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.355 1.046 3.161 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.188 -0.162 2.706 1.00 0.00 N ATOM 0 H ASN A 17 -19.334 3.860 3.797 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.430 2.892 1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.868 2.614 3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.914 1.955 1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -19.751 -1.023 3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.144 -0.178 2.352 1.00 0.00 H new ATOM 195 N GLY A 18 -19.112 4.656 -0.266 1.00 0.00 N ATOM 196 CA GLY A 18 -19.597 5.506 -1.347 1.00 0.00 C ATOM 197 C GLY A 18 -18.827 6.801 -1.524 1.00 0.00 C ATOM 198 O GLY A 18 -19.108 7.544 -2.464 1.00 0.00 O ATOM 0 H GLY A 18 -18.132 4.384 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.557 4.944 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.645 5.743 -1.163 1.00 0.00 H new ATOM 202 N LYS A 19 -17.862 7.102 -0.659 1.00 0.00 N ATOM 203 CA LYS A 19 -17.089 8.333 -0.865 1.00 0.00 C ATOM 204 C LYS A 19 -15.580 8.080 -0.826 1.00 0.00 C ATOM 205 O LYS A 19 -15.099 7.189 -0.127 1.00 0.00 O ATOM 206 CB LYS A 19 -17.535 9.430 0.123 1.00 0.00 C ATOM 207 CG LYS A 19 -17.123 9.221 1.573 1.00 0.00 C ATOM 208 CD LYS A 19 -15.704 9.709 1.867 1.00 0.00 C ATOM 209 CE LYS A 19 -15.557 11.223 1.735 1.00 0.00 C ATOM 210 NZ LYS A 19 -16.635 11.969 2.444 1.00 0.00 N ATOM 0 H LYS A 19 -17.601 6.545 0.155 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.301 8.698 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.131 10.384 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.621 9.511 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.824 9.745 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.194 8.161 1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.424 9.408 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.009 9.221 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.589 11.526 2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.567 11.494 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.263 12.879 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.426 12.140 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.969 11.409 3.254 1.00 0.00 H new ATOM 224 N SER A 20 -14.860 8.853 -1.640 1.00 0.00 N ATOM 225 CA SER A 20 -13.421 8.671 -1.835 1.00 0.00 C ATOM 226 C SER A 20 -12.556 9.282 -0.725 1.00 0.00 C ATOM 227 O SER A 20 -12.896 10.308 -0.128 1.00 0.00 O ATOM 228 CB SER A 20 -13.019 9.229 -3.206 1.00 0.00 C ATOM 229 OG SER A 20 -13.626 10.490 -3.437 1.00 0.00 O ATOM 0 H SER A 20 -15.257 9.621 -2.181 1.00 0.00 H new ATOM 0 HA SER A 20 -13.231 7.599 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.935 9.328 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.314 8.530 -3.988 1.00 0.00 H new ATOM 0 HG SER A 20 -13.354 10.828 -4.316 1.00 0.00 H new ATOM 235 N ASN A 21 -11.404 8.640 -0.513 1.00 0.00 N ATOM 236 CA ASN A 21 -10.413 9.008 0.508 1.00 0.00 C ATOM 237 C ASN A 21 -9.061 8.471 0.016 1.00 0.00 C ATOM 238 O ASN A 21 -8.889 8.280 -1.189 1.00 0.00 O ATOM 239 CB ASN A 21 -10.739 8.396 1.882 1.00 0.00 C ATOM 240 CG ASN A 21 -12.157 8.649 2.372 1.00 0.00 C ATOM 241 OD1 ASN A 21 -13.076 7.895 2.062 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.338 9.682 3.174 1.00 0.00 N ATOM 0 H ASN A 21 -11.125 7.826 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.407 10.090 0.641 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.573 7.320 1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.039 8.794 2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.264 9.874 3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.552 10.288 3.411 1.00 0.00 H new ATOM 249 N PHE A 22 -8.111 8.197 0.915 1.00 0.00 N ATOM 250 CA PHE A 22 -6.790 7.706 0.497 1.00 0.00 C ATOM 251 C PHE A 22 -6.381 6.435 1.252 1.00 0.00 C ATOM 252 O PHE A 22 -6.563 6.343 2.469 1.00 0.00 O ATOM 253 CB PHE A 22 -5.725 8.784 0.715 1.00 0.00 C ATOM 254 CG PHE A 22 -5.727 9.855 -0.333 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.834 9.515 -1.670 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.600 11.192 0.009 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.817 10.487 -2.651 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.585 12.170 -0.967 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.692 11.816 -2.299 1.00 0.00 C ATOM 0 H PHE A 22 -8.226 8.304 1.923 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.863 7.464 -0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.880 9.243 1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.743 8.312 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.932 8.477 -1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.512 11.472 1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.901 10.208 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.490 13.209 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.678 12.579 -3.064 1.00 0.00 H new ATOM 269 N LEU A 23 -5.826 5.459 0.520 1.00 0.00 N ATOM 270 CA LEU A 23 -5.300 4.228 1.129 1.00 0.00 C ATOM 271 C LEU A 23 -3.799 4.357 1.350 1.00 0.00 C ATOM 272 O LEU A 23 -3.048 4.635 0.418 1.00 0.00 O ATOM 273 CB LEU A 23 -5.605 2.994 0.254 1.00 0.00 C ATOM 274 CG LEU A 23 -4.892 1.671 0.645 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.176 1.279 2.091 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.317 0.542 -0.285 1.00 0.00 C ATOM 0 H LEU A 23 -5.729 5.498 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.795 4.088 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.681 2.820 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.340 3.233 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.820 1.841 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.659 0.348 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.824 2.066 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.249 1.142 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.808 -0.378 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.395 0.398 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.052 0.797 -1.311 1.00 0.00 H new ATOM 288 N ASN A 24 -3.375 4.156 2.588 1.00 0.00 N ATOM 289 CA ASN A 24 -1.972 4.289 2.949 1.00 0.00 C ATOM 290 C ASN A 24 -1.351 2.923 3.217 1.00 0.00 C ATOM 291 O ASN A 24 -1.845 2.162 4.050 1.00 0.00 O ATOM 292 CB ASN A 24 -1.815 5.174 4.194 1.00 0.00 C ATOM 293 CG ASN A 24 -2.262 6.607 3.972 1.00 0.00 C ATOM 294 OD1 ASN A 24 -2.180 7.137 2.867 1.00 0.00 O ATOM 295 ND2 ASN A 24 -2.729 7.251 5.031 1.00 0.00 N ATOM 0 H ASN A 24 -3.986 3.899 3.363 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.456 4.756 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.392 4.743 5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.770 5.171 4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.035 8.220 4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.782 6.778 5.933 1.00 0.00 H new ATOM 302 N CYS A 25 -0.277 2.610 2.504 1.00 0.00 N ATOM 303 CA CYS A 25 0.477 1.379 2.727 1.00 0.00 C ATOM 304 C CYS A 25 1.869 1.727 3.268 1.00 0.00 C ATOM 305 O CYS A 25 2.689 2.310 2.559 1.00 0.00 O ATOM 306 CB CYS A 25 0.596 0.598 1.409 1.00 0.00 C ATOM 307 SG CYS A 25 1.841 -0.725 1.431 1.00 0.00 S ATOM 0 H CYS A 25 0.096 3.197 1.758 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.043 0.757 3.456 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.374 0.163 1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.839 1.296 0.608 1.00 0.00 H new ATOM 312 N TYR A 26 2.123 1.386 4.526 1.00 0.00 N ATOM 313 CA TYR A 26 3.375 1.779 5.194 1.00 0.00 C ATOM 314 C TYR A 26 4.371 0.616 5.181 1.00 0.00 C ATOM 315 O TYR A 26 4.218 -0.363 5.914 1.00 0.00 O ATOM 316 CB TYR A 26 3.063 2.311 6.631 1.00 0.00 C ATOM 317 CG TYR A 26 4.201 2.324 7.639 1.00 0.00 C ATOM 318 CD1 TYR A 26 5.185 3.307 7.614 1.00 0.00 C ATOM 319 CD2 TYR A 26 4.253 1.376 8.658 1.00 0.00 C ATOM 320 CE1 TYR A 26 6.188 3.340 8.563 1.00 0.00 C ATOM 321 CE2 TYR A 26 5.257 1.402 9.608 1.00 0.00 C ATOM 322 CZ TYR A 26 6.220 2.385 9.556 1.00 0.00 C ATOM 323 OH TYR A 26 7.220 2.416 10.504 1.00 0.00 O ATOM 0 H TYR A 26 1.487 0.841 5.108 1.00 0.00 H new ATOM 0 HA TYR A 26 3.850 2.596 4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.685 3.329 6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.255 1.708 7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.164 4.058 6.838 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.496 0.607 8.707 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.944 4.111 8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.286 0.655 10.387 1.00 0.00 H new ATOM 0 HH TYR A 26 7.098 1.674 11.133 1.00 0.00 H new ATOM 333 N VAL A 27 5.370 0.726 4.299 1.00 0.00 N ATOM 334 CA VAL A 27 6.389 -0.307 4.102 1.00 0.00 C ATOM 335 C VAL A 27 7.688 0.142 4.801 1.00 0.00 C ATOM 336 O VAL A 27 8.362 1.058 4.331 1.00 0.00 O ATOM 337 CB VAL A 27 6.640 -0.515 2.574 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.439 -1.775 2.310 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.323 -0.573 1.806 1.00 0.00 C ATOM 0 H VAL A 27 5.494 1.541 3.698 1.00 0.00 H new ATOM 0 HA VAL A 27 6.053 -1.252 4.529 1.00 0.00 H new ATOM 0 HB VAL A 27 7.217 0.341 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.595 -1.889 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.404 -1.706 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.893 -2.638 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.527 -0.718 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.722 -1.403 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.779 0.361 1.946 1.00 0.00 H new ATOM 349 N SER A 28 8.034 -0.485 5.930 1.00 0.00 N ATOM 350 CA SER A 28 9.095 0.044 6.797 1.00 0.00 C ATOM 351 C SER A 28 10.253 -0.940 7.015 1.00 0.00 C ATOM 352 O SER A 28 10.037 -2.140 7.157 1.00 0.00 O ATOM 353 CB SER A 28 8.469 0.442 8.135 1.00 0.00 C ATOM 354 OG SER A 28 7.864 -0.673 8.769 1.00 0.00 O ATOM 0 H SER A 28 7.603 -1.347 6.263 1.00 0.00 H new ATOM 0 HA SER A 28 9.535 0.908 6.300 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.234 0.863 8.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.724 1.221 7.974 1.00 0.00 H new ATOM 0 HG SER A 28 7.015 -0.398 9.173 1.00 0.00 H new ATOM 360 N GLY A 29 11.483 -0.404 7.050 1.00 0.00 N ATOM 361 CA GLY A 29 12.677 -1.230 7.244 1.00 0.00 C ATOM 362 C GLY A 29 13.263 -1.683 5.928 1.00 0.00 C ATOM 363 O GLY A 29 14.368 -2.217 5.872 1.00 0.00 O ATOM 0 H GLY A 29 11.673 0.593 6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.425 -0.664 7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.423 -2.101 7.848 1.00 0.00 H new ATOM 367 N PHE A 30 12.524 -1.436 4.864 1.00 0.00 N ATOM 368 CA PHE A 30 12.907 -1.890 3.543 1.00 0.00 C ATOM 369 C PHE A 30 13.524 -0.758 2.740 1.00 0.00 C ATOM 370 O PHE A 30 13.007 0.359 2.743 1.00 0.00 O ATOM 371 CB PHE A 30 11.688 -2.405 2.820 1.00 0.00 C ATOM 372 CG PHE A 30 10.888 -3.419 3.616 1.00 0.00 C ATOM 373 CD1 PHE A 30 9.702 -3.059 4.246 1.00 0.00 C ATOM 374 CD2 PHE A 30 11.316 -4.738 3.720 1.00 0.00 C ATOM 375 CE1 PHE A 30 8.957 -3.992 4.952 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.577 -5.671 4.431 1.00 0.00 C ATOM 377 CZ PHE A 30 9.396 -5.294 5.040 1.00 0.00 C ATOM 0 H PHE A 30 11.646 -0.918 4.891 1.00 0.00 H new ATOM 0 HA PHE A 30 13.645 -2.685 3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.043 -1.563 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.000 -2.859 1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.356 -2.038 4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.236 -5.039 3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.035 -3.698 5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.924 -6.691 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.815 -6.022 5.587 1.00 0.00 H new ATOM 387 N HIS A 31 14.590 -1.062 2.017 1.00 0.00 N ATOM 388 CA HIS A 31 15.402 -0.034 1.374 1.00 0.00 C ATOM 389 C HIS A 31 14.787 0.356 0.028 1.00 0.00 C ATOM 390 O HIS A 31 14.773 -0.437 -0.909 1.00 0.00 O ATOM 391 CB HIS A 31 16.842 -0.534 1.197 1.00 0.00 C ATOM 392 CG HIS A 31 17.271 -1.492 2.276 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.117 -2.848 2.119 1.00 0.00 N ATOM 394 CD2 HIS A 31 17.776 -1.247 3.513 1.00 0.00 C ATOM 395 CE1 HIS A 31 17.516 -3.393 3.252 1.00 0.00 C ATOM 396 NE2 HIS A 31 17.926 -2.465 4.128 1.00 0.00 N ATOM 0 H HIS A 31 14.916 -2.015 1.859 1.00 0.00 H new ATOM 0 HA HIS A 31 15.425 0.853 2.008 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.934 -1.023 0.227 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.519 0.321 1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.014 -0.280 3.932 1.00 0.00 H new ATOM 0 HE1 HIS A 31 17.513 -4.455 3.449 1.00 0.00 H new ATOM 0 HE2 HIS A 31 18.281 -2.632 5.070 1.00 0.00 H new ATOM 404 N PRO A 32 14.303 1.609 -0.064 1.00 0.00 N ATOM 405 CA PRO A 32 13.462 2.105 -1.179 1.00 0.00 C ATOM 406 C PRO A 32 13.940 1.734 -2.584 1.00 0.00 C ATOM 407 O PRO A 32 13.124 1.440 -3.462 1.00 0.00 O ATOM 408 CB PRO A 32 13.514 3.627 -0.995 1.00 0.00 C ATOM 409 CG PRO A 32 13.729 3.832 0.465 1.00 0.00 C ATOM 410 CD PRO A 32 14.552 2.663 0.940 1.00 0.00 C ATOM 0 HA PRO A 32 12.471 1.655 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.322 4.068 -1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.588 4.097 -1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.246 4.773 0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.778 3.879 0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.610 2.918 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.249 2.342 1.937 1.00 0.00 H new ATOM 418 N SER A 33 15.247 1.740 -2.795 1.00 0.00 N ATOM 419 CA SER A 33 15.810 1.581 -4.129 1.00 0.00 C ATOM 420 C SER A 33 15.462 0.233 -4.777 1.00 0.00 C ATOM 421 O SER A 33 15.232 0.168 -5.987 1.00 0.00 O ATOM 422 CB SER A 33 17.329 1.758 -4.063 1.00 0.00 C ATOM 423 OG SER A 33 17.864 1.094 -2.929 1.00 0.00 O ATOM 0 H SER A 33 15.941 1.854 -2.057 1.00 0.00 H new ATOM 0 HA SER A 33 15.364 2.349 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.786 1.363 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.575 2.819 -4.018 1.00 0.00 H new ATOM 0 HG SER A 33 18.099 0.173 -3.169 1.00 0.00 H new ATOM 429 N ASP A 34 15.437 -0.842 -3.995 1.00 0.00 N ATOM 430 CA ASP A 34 15.267 -2.181 -4.572 1.00 0.00 C ATOM 431 C ASP A 34 13.994 -2.892 -4.108 1.00 0.00 C ATOM 432 O ASP A 34 14.028 -4.099 -3.867 1.00 0.00 O ATOM 433 CB ASP A 34 16.473 -3.064 -4.227 1.00 0.00 C ATOM 434 CG ASP A 34 17.788 -2.466 -4.681 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.218 -2.764 -5.815 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.400 -1.695 -3.908 1.00 0.00 O ATOM 0 H ASP A 34 15.530 -0.820 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 34 15.185 -2.031 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.504 -3.223 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.345 -4.043 -4.690 1.00 0.00 H new ATOM 441 N ILE A 35 12.868 -2.189 -3.981 1.00 0.00 N ATOM 442 CA ILE A 35 11.640 -2.874 -3.591 1.00 0.00 C ATOM 443 C ILE A 35 10.475 -2.506 -4.491 1.00 0.00 C ATOM 444 O ILE A 35 10.519 -1.506 -5.211 1.00 0.00 O ATOM 445 CB ILE A 35 11.241 -2.634 -2.112 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.192 -1.524 -1.962 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.460 -2.337 -1.242 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.650 -1.451 -0.558 1.00 0.00 C ATOM 0 H ILE A 35 12.781 -1.185 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 35 11.865 -3.934 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 35 10.788 -3.562 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.636 -0.566 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.373 -1.702 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.141 -2.174 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.148 -3.181 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.962 -1.443 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.911 -0.653 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.182 -2.401 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.465 -1.247 0.136 1.00 0.00 H new ATOM 460 N GLU A 36 9.440 -3.333 -4.447 1.00 0.00 N ATOM 461 CA GLU A 36 8.291 -3.156 -5.269 1.00 0.00 C ATOM 462 C GLU A 36 7.025 -3.301 -4.433 1.00 0.00 C ATOM 463 O GLU A 36 6.804 -4.326 -3.794 1.00 0.00 O ATOM 464 CB GLU A 36 8.355 -4.215 -6.327 1.00 0.00 C ATOM 465 CG GLU A 36 8.367 -3.670 -7.750 1.00 0.00 C ATOM 466 CD GLU A 36 7.124 -2.882 -8.095 1.00 0.00 C ATOM 467 OE1 GLU A 36 6.228 -3.447 -8.756 1.00 0.00 O ATOM 468 OE2 GLU A 36 7.054 -1.689 -7.732 1.00 0.00 O ATOM 0 H GLU A 36 9.391 -4.144 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 36 8.271 -2.163 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.251 -4.816 -6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.500 -4.882 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.242 -3.033 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.469 -4.500 -8.449 1.00 0.00 H new ATOM 475 N VAL A 37 6.223 -2.265 -4.439 1.00 0.00 N ATOM 476 CA VAL A 37 4.991 -2.211 -3.635 1.00 0.00 C ATOM 477 C VAL A 37 3.839 -1.614 -4.454 1.00 0.00 C ATOM 478 O VAL A 37 4.026 -0.631 -5.171 1.00 0.00 O ATOM 479 CB VAL A 37 5.191 -1.417 -2.294 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.465 -0.590 -2.336 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.990 -0.531 -1.986 1.00 0.00 C ATOM 0 H VAL A 37 6.391 -1.427 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 37 4.736 -3.236 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 37 5.282 -2.150 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.580 -0.050 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.321 -1.248 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.409 0.123 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.162 0.004 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.851 0.187 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.097 -1.149 -1.891 1.00 0.00 H new ATOM 491 N ASP A 38 2.651 -2.221 -4.352 1.00 0.00 N ATOM 492 CA ASP A 38 1.471 -1.730 -5.068 1.00 0.00 C ATOM 493 C ASP A 38 0.251 -1.734 -4.145 1.00 0.00 C ATOM 494 O ASP A 38 0.247 -2.394 -3.107 1.00 0.00 O ATOM 495 CB ASP A 38 1.149 -2.608 -6.298 1.00 0.00 C ATOM 496 CG ASP A 38 2.203 -2.563 -7.380 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.150 -1.651 -8.230 1.00 0.00 O ATOM 498 OD2 ASP A 38 3.056 -3.470 -7.417 1.00 0.00 O ATOM 0 H ASP A 38 2.483 -3.050 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 38 1.695 -0.716 -5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.023 -3.640 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.196 -2.288 -6.720 1.00 0.00 H new ATOM 503 N LEU A 39 -0.791 -1.021 -4.554 1.00 0.00 N ATOM 504 CA LEU A 39 -2.054 -1.018 -3.825 1.00 0.00 C ATOM 505 C LEU A 39 -3.081 -1.843 -4.607 1.00 0.00 C ATOM 506 O LEU A 39 -3.272 -1.628 -5.808 1.00 0.00 O ATOM 507 CB LEU A 39 -2.559 0.413 -3.585 1.00 0.00 C ATOM 508 CG LEU A 39 -2.031 1.110 -2.311 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.539 1.394 -2.390 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.788 2.398 -2.056 1.00 0.00 C ATOM 0 H LEU A 39 -0.786 -0.436 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.901 -1.467 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.289 1.022 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.648 0.390 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.195 0.423 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.213 1.884 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.004 0.457 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.337 2.045 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.402 2.875 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.660 3.070 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.847 2.178 -1.925 1.00 0.00 H new ATOM 522 N LEU A 40 -3.714 -2.802 -3.933 1.00 0.00 N ATOM 523 CA LEU A 40 -4.572 -3.786 -4.594 1.00 0.00 C ATOM 524 C LEU A 40 -6.003 -3.789 -4.064 1.00 0.00 C ATOM 525 O LEU A 40 -6.308 -3.213 -3.019 1.00 0.00 O ATOM 526 CB LEU A 40 -4.040 -5.215 -4.400 1.00 0.00 C ATOM 527 CG LEU A 40 -2.598 -5.507 -4.811 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.435 -7.008 -4.984 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.195 -4.788 -6.089 1.00 0.00 C ATOM 0 H LEU A 40 -3.648 -2.919 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.566 -3.492 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.144 -5.469 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.689 -5.891 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.942 -5.135 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.409 -7.231 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.660 -7.509 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.119 -7.362 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.161 -5.032 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.845 -5.104 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.290 -3.712 -5.946 1.00 0.00 H new ATOM 541 N LYS A 41 -6.855 -4.486 -4.810 1.00 0.00 N ATOM 542 CA LYS A 41 -8.205 -4.832 -4.397 1.00 0.00 C ATOM 543 C LYS A 41 -8.335 -6.326 -4.479 1.00 0.00 C ATOM 544 O LYS A 41 -8.397 -6.857 -5.583 1.00 0.00 O ATOM 545 CB LYS A 41 -9.266 -4.244 -5.335 1.00 0.00 C ATOM 546 CG LYS A 41 -8.857 -2.929 -5.980 1.00 0.00 C ATOM 547 CD LYS A 41 -9.884 -2.396 -7.009 1.00 0.00 C ATOM 548 CE LYS A 41 -11.281 -2.126 -6.411 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.232 -1.147 -5.295 1.00 0.00 N ATOM 0 H LYS A 41 -6.617 -4.832 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.364 -4.438 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.486 -4.969 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.188 -4.091 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.715 -2.181 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.895 -3.061 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.501 -1.474 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.979 -3.117 -7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.943 -1.752 -7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.708 -3.062 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.127 -0.619 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.089 -1.651 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.445 -0.484 -5.449 1.00 0.00 H new ATOM 563 N ASN A 42 -8.420 -6.997 -3.334 1.00 0.00 N ATOM 564 CA ASN A 42 -8.466 -8.454 -3.282 1.00 0.00 C ATOM 565 C ASN A 42 -7.584 -9.070 -4.380 1.00 0.00 C ATOM 566 O ASN A 42 -8.043 -9.880 -5.188 1.00 0.00 O ATOM 567 CB ASN A 42 -9.929 -8.957 -3.418 1.00 0.00 C ATOM 568 CG ASN A 42 -10.977 -7.853 -3.495 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.694 -7.597 -2.540 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.078 -7.194 -4.640 1.00 0.00 N ATOM 0 H ASN A 42 -8.459 -6.548 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.077 -8.771 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.005 -9.574 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.159 -9.599 -2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.769 -6.450 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.465 -7.430 -5.420 1.00 0.00 H new ATOM 577 N GLY A 43 -6.316 -8.665 -4.400 1.00 0.00 N ATOM 578 CA GLY A 43 -5.388 -9.168 -5.405 1.00 0.00 C ATOM 579 C GLY A 43 -5.548 -8.566 -6.804 1.00 0.00 C ATOM 580 O GLY A 43 -5.201 -9.216 -7.789 1.00 0.00 O ATOM 0 H GLY A 43 -5.913 -7.999 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.370 -8.982 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.507 -10.249 -5.477 1.00 0.00 H new ATOM 584 N GLU A 44 -6.069 -7.349 -6.911 1.00 0.00 N ATOM 585 CA GLU A 44 -6.230 -6.697 -8.217 1.00 0.00 C ATOM 586 C GLU A 44 -5.600 -5.304 -8.179 1.00 0.00 C ATOM 587 O GLU A 44 -5.947 -4.488 -7.331 1.00 0.00 O ATOM 588 CB GLU A 44 -7.722 -6.615 -8.592 1.00 0.00 C ATOM 589 CG GLU A 44 -7.994 -6.043 -9.987 1.00 0.00 C ATOM 590 CD GLU A 44 -7.225 -6.768 -11.069 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.340 -6.145 -11.687 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.489 -7.971 -11.290 1.00 0.00 O ATOM 0 H GLU A 44 -6.387 -6.792 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.722 -7.288 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.155 -7.614 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.236 -6.000 -7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.061 -6.105 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.727 -4.986 -10.002 1.00 0.00 H new ATOM 599 N ARG A 45 -4.646 -5.059 -9.074 1.00 0.00 N ATOM 600 CA ARG A 45 -3.924 -3.783 -9.104 1.00 0.00 C ATOM 601 C ARG A 45 -4.891 -2.625 -9.359 1.00 0.00 C ATOM 602 O ARG A 45 -5.589 -2.587 -10.374 1.00 0.00 O ATOM 603 CB ARG A 45 -2.814 -3.811 -10.183 1.00 0.00 C ATOM 604 CG ARG A 45 -1.488 -3.192 -9.731 1.00 0.00 C ATOM 605 CD ARG A 45 -0.423 -3.138 -10.836 1.00 0.00 C ATOM 606 NE ARG A 45 -0.529 -1.934 -11.657 1.00 0.00 N ATOM 607 CZ ARG A 45 0.293 -0.885 -11.555 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.223 -0.848 -10.609 1.00 0.00 N ATOM 609 NH2 ARG A 45 0.176 0.134 -12.396 1.00 0.00 N ATOM 0 H ARG A 45 -4.353 -5.725 -9.789 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.454 -3.632 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.637 -4.845 -10.481 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.168 -3.281 -11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.674 -2.181 -9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.098 -3.765 -8.890 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.568 -3.179 -10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.520 -4.018 -11.473 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.276 -1.891 -12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.314 -1.624 -9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.846 -0.044 -10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.541 0.117 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.803 0.934 -12.318 1.00 0.00 H new ATOM 623 N ILE A 46 -4.936 -1.701 -8.398 1.00 0.00 N ATOM 624 CA ILE A 46 -5.805 -0.535 -8.467 1.00 0.00 C ATOM 625 C ILE A 46 -5.415 0.373 -9.627 1.00 0.00 C ATOM 626 O ILE A 46 -6.236 0.612 -10.510 1.00 0.00 O ATOM 627 CB ILE A 46 -5.766 0.247 -7.137 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.224 -0.669 -5.993 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.633 1.503 -7.224 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.137 -0.054 -4.619 1.00 0.00 C ATOM 0 H ILE A 46 -4.369 -1.744 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.823 -0.885 -8.639 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.744 0.570 -6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.256 -0.969 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.620 -1.576 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.592 2.040 -6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.262 2.146 -8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.664 1.220 -7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.481 -0.774 -3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.103 0.220 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.764 0.837 -4.579 1.00 0.00 H new ATOM 642 N GLU A 47 -4.209 0.964 -9.523 1.00 0.00 N ATOM 643 CA GLU A 47 -3.467 1.571 -10.655 1.00 0.00 C ATOM 644 C GLU A 47 -3.281 3.067 -10.447 1.00 0.00 C ATOM 645 O GLU A 47 -2.302 3.638 -10.924 1.00 0.00 O ATOM 646 CB GLU A 47 -4.131 1.349 -12.023 1.00 0.00 C ATOM 647 CG GLU A 47 -4.093 -0.083 -12.530 1.00 0.00 C ATOM 648 CD GLU A 47 -3.035 -0.303 -13.590 1.00 0.00 C ATOM 649 OE1 GLU A 47 -2.259 -1.273 -13.474 1.00 0.00 O ATOM 650 OE2 GLU A 47 -2.969 0.501 -14.543 1.00 0.00 O ATOM 0 H GLU A 47 -3.711 1.036 -8.636 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.504 1.061 -10.666 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.171 1.669 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.642 1.991 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.907 -0.755 -11.692 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.069 -0.345 -12.938 1.00 0.00 H new ATOM 657 N LYS A 48 -4.204 3.709 -9.731 1.00 0.00 N ATOM 658 CA LYS A 48 -4.132 5.152 -9.522 1.00 0.00 C ATOM 659 C LYS A 48 -3.181 5.462 -8.374 1.00 0.00 C ATOM 660 O LYS A 48 -3.523 6.207 -7.454 1.00 0.00 O ATOM 661 CB LYS A 48 -5.519 5.728 -9.184 1.00 0.00 C ATOM 662 CG LYS A 48 -6.663 5.266 -10.096 1.00 0.00 C ATOM 663 CD LYS A 48 -6.311 5.396 -11.569 1.00 0.00 C ATOM 664 CE LYS A 48 -7.540 5.221 -12.451 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.205 5.312 -13.898 1.00 0.00 N ATOM 0 H LYS A 48 -5.004 3.255 -9.290 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.770 5.608 -10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.765 5.459 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.462 6.816 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.907 4.227 -9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.555 5.855 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.865 6.373 -11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.562 4.649 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.999 4.254 -12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.277 5.984 -12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.069 5.188 -14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.790 6.244 -14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.521 4.568 -14.143 1.00 0.00 H new ATOM 679 N VAL A 49 -1.983 4.910 -8.435 1.00 0.00 N ATOM 680 CA VAL A 49 -1.047 5.032 -7.337 1.00 0.00 C ATOM 681 C VAL A 49 0.241 5.651 -7.862 1.00 0.00 C ATOM 682 O VAL A 49 0.772 5.226 -8.891 1.00 0.00 O ATOM 683 CB VAL A 49 -0.783 3.664 -6.637 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.617 3.132 -6.891 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.031 3.770 -5.146 1.00 0.00 C ATOM 0 H VAL A 49 -1.638 4.375 -9.232 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.478 5.680 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.484 2.953 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.742 2.178 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.764 2.991 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.351 3.845 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.841 2.805 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.364 4.519 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.066 4.062 -4.969 1.00 0.00 H new ATOM 695 N GLU A 50 0.705 6.682 -7.183 1.00 0.00 N ATOM 696 CA GLU A 50 1.889 7.408 -7.626 1.00 0.00 C ATOM 697 C GLU A 50 2.745 7.817 -6.440 1.00 0.00 C ATOM 698 O GLU A 50 2.336 8.656 -5.639 1.00 0.00 O ATOM 699 CB GLU A 50 1.469 8.660 -8.407 1.00 0.00 C ATOM 700 CG GLU A 50 0.842 8.379 -9.764 1.00 0.00 C ATOM 701 CD GLU A 50 1.857 7.966 -10.805 1.00 0.00 C ATOM 702 OE1 GLU A 50 1.848 6.795 -11.229 1.00 0.00 O ATOM 703 OE2 GLU A 50 2.666 8.825 -11.213 1.00 0.00 O ATOM 0 H GLU A 50 0.285 7.038 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 50 2.473 6.751 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.760 9.227 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.344 9.294 -8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.096 7.591 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.318 9.270 -10.108 1.00 0.00 H new ATOM 710 N HIS A 51 3.918 7.208 -6.311 1.00 0.00 N ATOM 711 CA HIS A 51 4.875 7.626 -5.304 1.00 0.00 C ATOM 712 C HIS A 51 6.272 7.128 -5.644 1.00 0.00 C ATOM 713 O HIS A 51 6.449 5.996 -6.099 1.00 0.00 O ATOM 714 CB HIS A 51 4.459 7.092 -3.929 1.00 0.00 C ATOM 715 CG HIS A 51 5.541 7.183 -2.894 1.00 0.00 C ATOM 716 ND1 HIS A 51 6.172 6.053 -2.446 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.079 8.262 -2.278 1.00 0.00 C ATOM 718 CE1 HIS A 51 7.071 6.458 -1.578 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.056 7.786 -1.442 1.00 0.00 N ATOM 0 H HIS A 51 4.225 6.427 -6.890 1.00 0.00 H new ATOM 0 HA HIS A 51 4.890 8.716 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.588 7.648 -3.581 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.153 6.051 -4.031 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.795 9.294 -2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.738 5.799 -1.042 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.657 8.341 -0.832 1.00 0.00 H new ATOM 727 N SER A 52 7.251 7.989 -5.419 1.00 0.00 N ATOM 728 CA SER A 52 8.660 7.619 -5.522 1.00 0.00 C ATOM 729 C SER A 52 9.528 8.599 -4.735 1.00 0.00 C ATOM 730 O SER A 52 9.422 9.811 -4.929 1.00 0.00 O ATOM 731 CB SER A 52 9.112 7.596 -6.988 1.00 0.00 C ATOM 732 OG SER A 52 8.405 6.615 -7.731 1.00 0.00 O ATOM 0 H SER A 52 7.096 8.963 -5.160 1.00 0.00 H new ATOM 0 HA SER A 52 8.776 6.620 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.954 8.578 -7.435 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.182 7.392 -7.038 1.00 0.00 H new ATOM 0 HG SER A 52 7.902 6.040 -7.118 1.00 0.00 H new ATOM 738 N ASP A 53 10.370 8.086 -3.840 1.00 0.00 N ATOM 739 CA ASP A 53 11.359 8.920 -3.170 1.00 0.00 C ATOM 740 C ASP A 53 12.654 8.146 -3.032 1.00 0.00 C ATOM 741 O ASP A 53 12.655 6.917 -3.144 1.00 0.00 O ATOM 742 CB ASP A 53 10.880 9.465 -1.811 1.00 0.00 C ATOM 743 CG ASP A 53 10.505 8.407 -0.791 1.00 0.00 C ATOM 744 OD1 ASP A 53 11.387 7.654 -0.344 1.00 0.00 O ATOM 745 OD2 ASP A 53 9.326 8.378 -0.381 1.00 0.00 O ATOM 0 H ASP A 53 10.386 7.104 -3.565 1.00 0.00 H new ATOM 0 HA ASP A 53 11.522 9.801 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.667 10.091 -1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.016 10.108 -1.979 1.00 0.00 H new ATOM 750 N LEU A 54 13.738 8.876 -2.798 1.00 0.00 N ATOM 751 CA LEU A 54 15.097 8.347 -2.896 1.00 0.00 C ATOM 752 C LEU A 54 15.373 7.881 -4.327 1.00 0.00 C ATOM 753 O LEU A 54 14.772 6.924 -4.819 1.00 0.00 O ATOM 754 CB LEU A 54 15.370 7.209 -1.896 1.00 0.00 C ATOM 755 CG LEU A 54 15.555 7.642 -0.402 1.00 0.00 C ATOM 756 CD1 LEU A 54 14.442 8.574 0.075 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.610 6.445 0.550 1.00 0.00 C ATOM 0 H LEU A 54 13.700 9.860 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 54 15.777 9.158 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.545 6.499 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 54 16.268 6.679 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 54 16.508 8.170 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 54 14.616 8.845 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.434 9.475 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.481 8.067 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 54 15.739 6.799 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.682 5.879 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.449 5.803 0.280 1.00 0.00 H new ATOM 769 N SER A 55 16.300 8.556 -4.988 1.00 0.00 N ATOM 770 CA SER A 55 16.549 8.303 -6.399 1.00 0.00 C ATOM 771 C SER A 55 17.528 7.142 -6.553 1.00 0.00 C ATOM 772 O SER A 55 17.236 6.157 -7.231 1.00 0.00 O ATOM 773 CB SER A 55 17.101 9.565 -7.069 1.00 0.00 C ATOM 774 OG SER A 55 17.189 9.412 -8.475 1.00 0.00 O ATOM 0 H SER A 55 16.889 9.279 -4.574 1.00 0.00 H new ATOM 0 HA SER A 55 15.611 8.035 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.458 10.413 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.088 9.791 -6.664 1.00 0.00 H new ATOM 0 HG SER A 55 17.543 10.235 -8.872 1.00 0.00 H new ATOM 780 N PHE A 56 18.675 7.264 -5.892 1.00 0.00 N ATOM 781 CA PHE A 56 19.676 6.209 -5.852 1.00 0.00 C ATOM 782 C PHE A 56 20.822 6.642 -4.951 1.00 0.00 C ATOM 783 O PHE A 56 20.933 7.826 -4.621 1.00 0.00 O ATOM 784 CB PHE A 56 20.201 5.877 -7.252 1.00 0.00 C ATOM 785 CG PHE A 56 20.193 4.404 -7.547 1.00 0.00 C ATOM 786 CD1 PHE A 56 21.179 3.576 -7.041 1.00 0.00 C ATOM 787 CD2 PHE A 56 19.191 3.847 -8.324 1.00 0.00 C ATOM 788 CE1 PHE A 56 21.167 2.221 -7.303 1.00 0.00 C ATOM 789 CE2 PHE A 56 19.173 2.493 -8.590 1.00 0.00 C ATOM 790 CZ PHE A 56 20.163 1.678 -8.079 1.00 0.00 C ATOM 0 H PHE A 56 18.935 8.100 -5.369 1.00 0.00 H new ATOM 0 HA PHE A 56 19.211 5.307 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 56 19.593 6.394 -7.994 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.218 6.257 -7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 56 21.968 3.995 -6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 56 18.414 4.480 -8.727 1.00 0.00 H new ATOM 0 HE1 PHE A 56 21.943 1.586 -6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.385 2.072 -9.197 1.00 0.00 H new ATOM 0 HZ PHE A 56 20.152 0.618 -8.286 1.00 0.00 H new ATOM 800 N SER A 57 21.645 5.680 -4.538 1.00 0.00 N ATOM 801 CA SER A 57 22.751 5.934 -3.612 1.00 0.00 C ATOM 802 C SER A 57 22.204 6.337 -2.244 1.00 0.00 C ATOM 803 O SER A 57 22.917 6.886 -1.401 1.00 0.00 O ATOM 804 CB SER A 57 23.693 7.010 -4.167 1.00 0.00 C ATOM 805 OG SER A 57 24.204 6.628 -5.436 1.00 0.00 O ATOM 0 H SER A 57 21.566 4.707 -4.833 1.00 0.00 H new ATOM 0 HA SER A 57 23.329 5.017 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 57 23.159 7.956 -4.255 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.517 7.172 -3.472 1.00 0.00 H new ATOM 0 HG SER A 57 24.801 7.329 -5.773 1.00 0.00 H new ATOM 811 N LYS A 58 20.925 6.044 -2.045 1.00 0.00 N ATOM 812 CA LYS A 58 20.229 6.320 -0.801 1.00 0.00 C ATOM 813 C LYS A 58 19.348 5.129 -0.465 1.00 0.00 C ATOM 814 O LYS A 58 18.200 5.052 -0.896 1.00 0.00 O ATOM 815 CB LYS A 58 19.368 7.587 -0.914 1.00 0.00 C ATOM 816 CG LYS A 58 20.156 8.860 -1.189 1.00 0.00 C ATOM 817 CD LYS A 58 21.110 9.194 -0.053 1.00 0.00 C ATOM 818 CE LYS A 58 21.917 10.444 -0.360 1.00 0.00 C ATOM 819 NZ LYS A 58 22.892 10.763 0.716 1.00 0.00 N ATOM 0 H LYS A 58 20.338 5.603 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 58 20.964 6.486 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.639 7.446 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 58 18.807 7.714 0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.720 8.745 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.465 9.690 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 58 20.545 9.340 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.785 8.355 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.449 10.308 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 58 21.240 11.287 -0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.419 11.623 0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.384 10.919 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.556 9.971 0.829 1.00 0.00 H new ATOM 833 N ASP A 59 19.894 4.185 0.279 1.00 0.00 N ATOM 834 CA ASP A 59 19.176 2.963 0.611 1.00 0.00 C ATOM 835 C ASP A 59 18.623 3.044 2.026 1.00 0.00 C ATOM 836 O ASP A 59 18.128 2.058 2.571 1.00 0.00 O ATOM 837 CB ASP A 59 20.094 1.746 0.469 1.00 0.00 C ATOM 838 CG ASP A 59 21.307 1.824 1.373 1.00 0.00 C ATOM 839 OD1 ASP A 59 22.251 2.570 1.041 1.00 0.00 O ATOM 840 OD2 ASP A 59 21.326 1.136 2.416 1.00 0.00 O ATOM 0 H ASP A 59 20.836 4.239 0.667 1.00 0.00 H new ATOM 0 HA ASP A 59 18.344 2.851 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.531 0.842 0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.422 1.662 -0.567 1.00 0.00 H new ATOM 845 N TRP A 60 18.732 4.225 2.618 1.00 0.00 N ATOM 846 CA TRP A 60 18.211 4.466 3.954 1.00 0.00 C ATOM 847 C TRP A 60 16.701 4.274 3.983 1.00 0.00 C ATOM 848 O TRP A 60 15.939 5.070 3.440 1.00 0.00 O ATOM 849 CB TRP A 60 18.584 5.866 4.434 1.00 0.00 C ATOM 850 CG TRP A 60 18.460 6.051 5.920 1.00 0.00 C ATOM 851 CD1 TRP A 60 18.407 7.244 6.584 1.00 0.00 C ATOM 852 CD2 TRP A 60 18.382 5.022 6.932 1.00 0.00 C ATOM 853 NE1 TRP A 60 18.307 7.033 7.935 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.285 5.677 8.180 1.00 0.00 C ATOM 855 CE3 TRP A 60 18.379 3.613 6.909 1.00 0.00 C ATOM 856 CZ2 TRP A 60 18.196 4.976 9.383 1.00 0.00 C ATOM 857 CZ3 TRP A 60 18.289 2.927 8.096 1.00 0.00 C ATOM 858 CH2 TRP A 60 18.194 3.603 9.320 1.00 0.00 C ATOM 0 H TRP A 60 19.180 5.035 2.190 1.00 0.00 H new ATOM 0 HA TRP A 60 18.662 3.741 4.632 1.00 0.00 H new ATOM 0 HB2 TRP A 60 19.610 6.081 4.135 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.946 6.594 3.932 1.00 0.00 H new ATOM 0 HD1 TRP A 60 18.439 8.215 6.112 1.00 0.00 H new ATOM 0 HE1 TRP A 60 18.257 7.763 8.645 1.00 0.00 H new ATOM 0 HE3 TRP A 60 18.446 3.080 5.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 18.131 5.493 10.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 18.292 1.847 8.086 1.00 0.00 H new ATOM 0 HH2 TRP A 60 18.118 3.033 10.234 1.00 0.00 H new ATOM 869 N SER A 61 16.294 3.199 4.621 1.00 0.00 N ATOM 870 CA SER A 61 14.906 2.812 4.702 1.00 0.00 C ATOM 871 C SER A 61 14.252 3.367 5.967 1.00 0.00 C ATOM 872 O SER A 61 14.537 2.876 7.060 1.00 0.00 O ATOM 873 CB SER A 61 14.854 1.292 4.731 1.00 0.00 C ATOM 874 OG SER A 61 15.877 0.759 5.562 1.00 0.00 O ATOM 0 H SER A 61 16.927 2.562 5.104 1.00 0.00 H new ATOM 0 HA SER A 61 14.364 3.211 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.880 0.966 5.094 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.964 0.902 3.719 1.00 0.00 H new ATOM 0 HG SER A 61 15.879 1.230 6.421 1.00 0.00 H new ATOM 880 N PHE A 62 13.389 4.382 5.871 1.00 0.00 N ATOM 881 CA PHE A 62 12.693 4.857 7.049 1.00 0.00 C ATOM 882 C PHE A 62 11.172 4.845 6.826 1.00 0.00 C ATOM 883 O PHE A 62 10.501 3.889 7.210 1.00 0.00 O ATOM 884 CB PHE A 62 13.211 6.249 7.461 1.00 0.00 C ATOM 885 CG PHE A 62 13.544 7.180 6.317 1.00 0.00 C ATOM 886 CD1 PHE A 62 14.804 7.160 5.735 1.00 0.00 C ATOM 887 CD2 PHE A 62 12.609 8.083 5.836 1.00 0.00 C ATOM 888 CE1 PHE A 62 15.120 8.017 4.697 1.00 0.00 C ATOM 889 CE2 PHE A 62 12.920 8.940 4.798 1.00 0.00 C ATOM 890 CZ PHE A 62 14.178 8.907 4.228 1.00 0.00 C ATOM 0 H PHE A 62 13.165 4.875 5.007 1.00 0.00 H new ATOM 0 HA PHE A 62 12.900 4.178 7.876 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.459 6.727 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.103 6.120 8.074 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.547 6.466 6.098 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.624 8.117 6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.105 7.989 4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 62 12.180 9.636 4.432 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.423 9.577 3.417 1.00 0.00 H new ATOM 900 N TYR A 63 10.631 5.879 6.187 1.00 0.00 N ATOM 901 CA TYR A 63 9.187 5.980 5.980 1.00 0.00 C ATOM 902 C TYR A 63 8.834 5.924 4.488 1.00 0.00 C ATOM 903 O TYR A 63 9.010 6.898 3.760 1.00 0.00 O ATOM 904 CB TYR A 63 8.667 7.284 6.613 1.00 0.00 C ATOM 905 CG TYR A 63 7.141 7.396 6.685 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.435 6.839 7.751 1.00 0.00 C ATOM 907 CD2 TYR A 63 6.409 8.064 5.699 1.00 0.00 C ATOM 908 CE1 TYR A 63 5.053 6.943 7.834 1.00 0.00 C ATOM 909 CE2 TYR A 63 5.022 8.166 5.779 1.00 0.00 C ATOM 910 CZ TYR A 63 4.356 7.604 6.848 1.00 0.00 C ATOM 911 OH TYR A 63 2.986 7.709 6.941 1.00 0.00 O ATOM 0 H TYR A 63 11.168 6.657 5.804 1.00 0.00 H new ATOM 0 HA TYR A 63 8.705 5.129 6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 63 9.072 7.369 7.621 1.00 0.00 H new ATOM 0 HB3 TYR A 63 9.053 8.128 6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.974 6.316 8.527 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.927 8.508 4.862 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.526 6.507 8.670 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.471 8.683 5.007 1.00 0.00 H new ATOM 0 HH TYR A 63 2.720 8.643 6.810 1.00 0.00 H new ATOM 921 N LEU A 64 8.357 4.764 4.046 1.00 0.00 N ATOM 922 CA LEU A 64 7.869 4.575 2.678 1.00 0.00 C ATOM 923 C LEU A 64 6.348 4.471 2.681 1.00 0.00 C ATOM 924 O LEU A 64 5.784 3.652 3.411 1.00 0.00 O ATOM 925 CB LEU A 64 8.449 3.277 2.102 1.00 0.00 C ATOM 926 CG LEU A 64 9.833 3.362 1.454 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.460 1.974 1.394 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.711 3.946 0.057 1.00 0.00 C ATOM 0 H LEU A 64 8.297 3.926 4.624 1.00 0.00 H new ATOM 0 HA LEU A 64 8.179 5.426 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.495 2.541 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.750 2.894 1.359 1.00 0.00 H new ATOM 0 HG LEU A 64 10.473 4.011 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.445 2.039 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.559 1.575 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.825 1.313 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.699 4.005 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.068 3.308 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.279 4.945 0.117 1.00 0.00 H new ATOM 940 N LEU A 65 5.685 5.300 1.882 1.00 0.00 N ATOM 941 CA LEU A 65 4.229 5.292 1.811 1.00 0.00 C ATOM 942 C LEU A 65 3.738 5.683 0.416 1.00 0.00 C ATOM 943 O LEU A 65 4.252 6.621 -0.185 1.00 0.00 O ATOM 944 CB LEU A 65 3.682 6.273 2.846 1.00 0.00 C ATOM 945 CG LEU A 65 2.171 6.493 2.836 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.459 5.239 3.298 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.801 7.674 3.719 1.00 0.00 C ATOM 0 H LEU A 65 6.133 5.986 1.274 1.00 0.00 H new ATOM 0 HA LEU A 65 3.872 4.283 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.970 5.921 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.169 7.236 2.696 1.00 0.00 H new ATOM 0 HG LEU A 65 1.856 6.716 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.382 5.407 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.704 4.414 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.777 4.992 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.721 7.817 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.124 7.479 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.293 8.573 3.348 1.00 0.00 H new ATOM 959 N TYR A 66 2.712 4.988 -0.061 1.00 0.00 N ATOM 960 CA TYR A 66 2.148 5.224 -1.391 1.00 0.00 C ATOM 961 C TYR A 66 0.675 5.608 -1.233 1.00 0.00 C ATOM 962 O TYR A 66 0.068 5.267 -0.217 1.00 0.00 O ATOM 963 CB TYR A 66 2.280 3.955 -2.262 1.00 0.00 C ATOM 964 CG TYR A 66 3.718 3.611 -2.653 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.149 3.755 -3.968 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.646 3.151 -1.715 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.447 3.455 -4.341 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.951 2.850 -2.087 1.00 0.00 C ATOM 969 CZ TYR A 66 6.341 3.005 -3.397 1.00 0.00 C ATOM 970 OH TYR A 66 7.633 2.706 -3.764 1.00 0.00 O ATOM 0 H TYR A 66 2.246 4.245 0.460 1.00 0.00 H new ATOM 0 HA TYR A 66 2.690 6.031 -1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.850 3.111 -1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.690 4.087 -3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.454 4.109 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.345 3.027 -0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.757 3.574 -5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.656 2.496 -1.350 1.00 0.00 H new ATOM 0 HH TYR A 66 8.134 2.403 -2.978 1.00 0.00 H new ATOM 980 N TYR A 67 0.085 6.291 -2.219 1.00 0.00 N ATOM 981 CA TYR A 67 -1.292 6.768 -2.062 1.00 0.00 C ATOM 982 C TYR A 67 -2.134 6.582 -3.334 1.00 0.00 C ATOM 983 O TYR A 67 -1.659 6.819 -4.445 1.00 0.00 O ATOM 984 CB TYR A 67 -1.336 8.234 -1.571 1.00 0.00 C ATOM 985 CG TYR A 67 -0.481 9.240 -2.339 1.00 0.00 C ATOM 986 CD1 TYR A 67 -0.868 9.720 -3.587 1.00 0.00 C ATOM 987 CD2 TYR A 67 0.698 9.742 -1.789 1.00 0.00 C ATOM 988 CE1 TYR A 67 -0.110 10.660 -4.265 1.00 0.00 C ATOM 989 CE2 TYR A 67 1.463 10.680 -2.463 1.00 0.00 C ATOM 990 CZ TYR A 67 1.053 11.134 -3.698 1.00 0.00 C ATOM 991 OH TYR A 67 1.809 12.074 -4.368 1.00 0.00 O ATOM 0 H TYR A 67 0.524 6.521 -3.110 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.745 6.143 -1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.372 8.573 -1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.027 8.252 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.779 9.352 -4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.021 9.393 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.428 11.019 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.376 11.053 -2.023 1.00 0.00 H new ATOM 0 HH TYR A 67 2.596 12.304 -3.831 1.00 0.00 H new ATOM 1001 N THR A 68 -3.385 6.135 -3.150 1.00 0.00 N ATOM 1002 CA THR A 68 -4.328 5.928 -4.256 1.00 0.00 C ATOM 1003 C THR A 68 -5.747 6.325 -3.814 1.00 0.00 C ATOM 1004 O THR A 68 -6.096 6.202 -2.633 1.00 0.00 O ATOM 1005 CB THR A 68 -4.325 4.448 -4.736 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.753 4.372 -6.096 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.242 3.569 -3.902 1.00 0.00 C ATOM 0 H THR A 68 -3.769 5.908 -2.233 1.00 0.00 H new ATOM 0 HA THR A 68 -4.012 6.556 -5.089 1.00 0.00 H new ATOM 0 HB THR A 68 -3.302 4.087 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.623 5.242 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.205 2.546 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.916 3.587 -2.862 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.264 3.943 -3.968 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.533 6.851 -4.755 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.946 7.181 -4.524 1.00 0.00 C ATOM 1017 C GLU A 69 -8.775 5.903 -4.334 1.00 0.00 C ATOM 1018 O GLU A 69 -8.598 4.939 -5.080 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.489 7.946 -5.740 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.624 8.915 -5.414 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.163 10.116 -4.609 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -8.265 10.851 -5.081 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.712 10.348 -3.514 1.00 0.00 O ATOM 0 H GLU A 69 -6.211 7.061 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.020 7.791 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.672 8.502 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.841 7.227 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.079 9.260 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.398 8.386 -4.857 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.678 5.879 -3.349 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.526 4.706 -3.149 1.00 0.00 C ATOM 1032 C PHE A 70 -11.983 5.080 -2.920 1.00 0.00 C ATOM 1033 O PHE A 70 -12.294 6.215 -2.581 1.00 0.00 O ATOM 1034 CB PHE A 70 -10.008 3.856 -1.975 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.224 4.410 -0.583 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -9.147 4.594 0.264 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.490 4.723 -0.112 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.330 5.079 1.549 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.675 5.213 1.163 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.597 5.390 1.995 1.00 0.00 C ATOM 0 H PHE A 70 -9.837 6.642 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.478 4.119 -4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.484 2.877 -2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.939 3.698 -2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.151 4.357 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.346 4.580 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.480 5.213 2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.669 5.458 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.741 5.771 2.995 1.00 0.00 H new ATOM 1050 N THR A 71 -12.870 4.123 -3.155 1.00 0.00 N ATOM 1051 CA THR A 71 -14.255 4.219 -2.717 1.00 0.00 C ATOM 1052 C THR A 71 -14.739 2.855 -2.192 1.00 0.00 C ATOM 1053 O THR A 71 -14.863 1.907 -2.968 1.00 0.00 O ATOM 1054 CB THR A 71 -15.145 4.694 -3.888 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.615 5.913 -4.423 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.576 4.925 -3.440 1.00 0.00 C ATOM 0 H THR A 71 -12.650 3.261 -3.653 1.00 0.00 H new ATOM 0 HA THR A 71 -14.324 4.946 -1.908 1.00 0.00 H new ATOM 0 HB THR A 71 -15.148 3.914 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.177 6.215 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.174 5.258 -4.288 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.989 3.996 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.595 5.687 -2.661 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.987 2.711 -0.862 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.380 1.422 -0.286 1.00 0.00 C ATOM 1066 C PRO A 72 -16.808 1.020 -0.615 1.00 0.00 C ATOM 1067 O PRO A 72 -17.726 1.839 -0.647 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.214 1.590 1.233 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.870 3.033 1.483 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.904 3.771 0.166 1.00 0.00 C ATOM 0 HA PRO A 72 -14.761 0.627 -0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.132 1.317 1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.428 0.936 1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.579 3.475 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.882 3.113 1.936 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.761 4.442 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.011 4.382 0.032 1.00 0.00 H new ATOM 1078 N THR A 73 -16.952 -0.267 -0.855 1.00 0.00 N ATOM 1079 CA THR A 73 -18.230 -0.906 -1.117 1.00 0.00 C ATOM 1080 C THR A 73 -18.296 -2.167 -0.268 1.00 0.00 C ATOM 1081 O THR A 73 -17.260 -2.673 0.143 1.00 0.00 O ATOM 1082 CB THR A 73 -18.369 -1.278 -2.614 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.335 -2.198 -2.989 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.287 -0.039 -3.494 1.00 0.00 C ATOM 0 H THR A 73 -16.165 -0.916 -0.874 1.00 0.00 H new ATOM 0 HA THR A 73 -19.042 -0.222 -0.869 1.00 0.00 H new ATOM 0 HB THR A 73 -19.344 -1.743 -2.757 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.431 -2.430 -3.936 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.387 -0.328 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.090 0.649 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.325 0.451 -3.344 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.494 -2.663 0.008 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.674 -3.900 0.774 1.00 0.00 C ATOM 1094 C GLU A 74 -18.932 -5.098 0.135 1.00 0.00 C ATOM 1095 O GLU A 74 -18.841 -6.171 0.728 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.192 -4.179 0.934 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.531 -5.577 1.424 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.286 -5.764 2.908 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -22.131 -5.316 3.710 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -20.268 -6.379 3.283 1.00 0.00 O ATOM 0 H GLU A 74 -20.367 -2.227 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.229 -3.769 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.610 -3.453 1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.681 -4.017 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.578 -5.788 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.937 -6.304 0.870 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.373 -4.915 -1.057 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.747 -6.032 -1.760 1.00 0.00 C ATOM 1109 C LYS A 75 -16.217 -5.932 -1.922 1.00 0.00 C ATOM 1110 O LYS A 75 -15.559 -6.969 -2.036 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.396 -6.232 -3.139 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.894 -6.566 -3.120 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.174 -8.056 -2.905 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.708 -8.571 -1.547 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.238 -9.927 -1.254 1.00 0.00 N ATOM 0 H LYS A 75 -18.339 -4.023 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.922 -6.895 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.251 -5.324 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.869 -7.033 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.378 -5.994 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.343 -6.250 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.245 -8.235 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.680 -8.628 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.619 -8.595 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.029 -7.880 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.897 -10.239 -0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.278 -9.900 -1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.911 -10.593 -1.983 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.629 -4.736 -1.943 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.219 -4.632 -2.313 1.00 0.00 C ATOM 1131 C ASP A 76 -13.281 -4.559 -1.094 1.00 0.00 C ATOM 1132 O ASP A 76 -13.481 -3.763 -0.179 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.958 -3.433 -3.214 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.530 -3.452 -3.696 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -12.205 -4.325 -4.529 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -11.730 -2.609 -3.248 1.00 0.00 O ATOM 0 H ASP A 76 -16.088 -3.854 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.998 -5.550 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.638 -3.453 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.155 -2.509 -2.670 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.245 -5.380 -1.129 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.220 -5.467 -0.084 1.00 0.00 C ATOM 1143 C GLU A 77 -9.956 -4.763 -0.572 1.00 0.00 C ATOM 1144 O GLU A 77 -9.589 -4.894 -1.738 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.929 -6.944 0.169 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.756 -7.236 1.081 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.420 -8.709 1.076 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.608 -9.134 0.227 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -9.985 -9.457 1.894 1.00 0.00 O ATOM 0 H GLU A 77 -12.083 -6.025 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.559 -4.992 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.821 -7.403 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.749 -7.429 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.888 -6.660 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.992 -6.917 2.096 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.276 -4.046 0.306 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.099 -3.278 -0.107 1.00 0.00 C ATOM 1158 C TYR A 78 -6.834 -3.852 0.518 1.00 0.00 C ATOM 1159 O TYR A 78 -6.785 -4.095 1.725 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.250 -1.796 0.264 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.285 -1.060 -0.554 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.642 -1.257 -0.339 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.901 -0.163 -1.543 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.586 -0.580 -1.086 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.841 0.516 -2.290 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.179 0.305 -2.059 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.115 0.982 -2.807 1.00 0.00 O ATOM 0 H TYR A 78 -9.508 -3.975 1.297 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.016 -3.353 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.515 -1.721 1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.286 -1.301 0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.965 -1.950 0.424 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.851 0.005 -1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.638 -0.744 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.526 1.211 -3.054 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.007 0.831 -2.430 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.819 -4.077 -0.310 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.577 -4.700 0.131 1.00 0.00 C ATOM 1179 C ALA A 79 -3.358 -3.961 -0.429 1.00 0.00 C ATOM 1180 O ALA A 79 -3.487 -3.179 -1.363 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.554 -6.148 -0.331 1.00 0.00 C ATOM 0 H ALA A 79 -5.834 -3.834 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.531 -4.652 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.627 -6.620 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.403 -6.680 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.615 -6.184 -1.419 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.185 -4.186 0.158 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.944 -3.672 -0.412 1.00 0.00 C ATOM 1189 C CYS A 80 0.070 -4.810 -0.587 1.00 0.00 C ATOM 1190 O CYS A 80 0.290 -5.596 0.336 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.371 -2.555 0.461 1.00 0.00 C ATOM 1192 SG CYS A 80 1.268 -1.962 -0.068 1.00 0.00 S ATOM 0 H CYS A 80 -2.069 -4.717 1.021 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.159 -3.251 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.066 -1.716 0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.302 -2.911 1.489 1.00 0.00 H new ATOM 1197 N ARG A 81 0.645 -4.911 -1.784 1.00 0.00 N ATOM 1198 CA ARG A 81 1.564 -6.000 -2.137 1.00 0.00 C ATOM 1199 C ARG A 81 3.006 -5.496 -2.145 1.00 0.00 C ATOM 1200 O ARG A 81 3.290 -4.481 -2.773 1.00 0.00 O ATOM 1201 CB ARG A 81 1.203 -6.518 -3.534 1.00 0.00 C ATOM 1202 CG ARG A 81 1.706 -7.926 -3.873 1.00 0.00 C ATOM 1203 CD ARG A 81 1.006 -8.473 -5.129 1.00 0.00 C ATOM 1204 NE ARG A 81 1.277 -7.634 -6.298 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.571 -7.668 -7.426 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.451 -8.510 -7.549 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.897 -6.862 -8.428 1.00 0.00 N ATOM 0 H ARG A 81 0.489 -4.242 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 81 1.474 -6.799 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.118 -6.506 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.601 -5.823 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.784 -7.902 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.524 -8.594 -3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.345 -9.491 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.069 -8.523 -4.956 1.00 0.00 H new ATOM 0 HE ARG A 81 2.058 -6.980 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.695 -9.132 -6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.991 -8.534 -8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.685 -6.221 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.360 -6.883 -9.295 1.00 0.00 H new ATOM 1221 N VAL A 82 3.916 -6.188 -1.459 1.00 0.00 N ATOM 1222 CA VAL A 82 5.322 -5.781 -1.479 1.00 0.00 C ATOM 1223 C VAL A 82 6.242 -6.964 -1.766 1.00 0.00 C ATOM 1224 O VAL A 82 6.062 -8.063 -1.236 1.00 0.00 O ATOM 1225 CB VAL A 82 5.758 -5.061 -0.170 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.057 -6.049 0.950 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.955 -4.156 -0.423 1.00 0.00 C ATOM 0 H VAL A 82 3.713 -7.013 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 82 5.416 -5.061 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 82 4.920 -4.445 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.358 -5.504 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.164 -6.636 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.864 -6.715 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.242 -3.664 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.790 -4.752 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.692 -3.403 -1.166 1.00 0.00 H new ATOM 1237 N ASN A 83 7.204 -6.719 -2.642 1.00 0.00 N ATOM 1238 CA ASN A 83 8.158 -7.739 -3.048 1.00 0.00 C ATOM 1239 C ASN A 83 9.559 -7.181 -3.100 1.00 0.00 C ATOM 1240 O ASN A 83 9.798 -6.096 -3.636 1.00 0.00 O ATOM 1241 CB ASN A 83 7.768 -8.322 -4.408 1.00 0.00 C ATOM 1242 CG ASN A 83 8.678 -9.455 -4.846 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.226 -10.186 -4.021 1.00 0.00 O ATOM 1244 ND2 ASN A 83 8.837 -9.614 -6.150 1.00 0.00 N ATOM 0 H ASN A 83 7.345 -5.813 -3.089 1.00 0.00 H new ATOM 0 HA ASN A 83 8.138 -8.536 -2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.741 -8.684 -4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.793 -7.531 -5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.431 -10.364 -6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.365 -8.987 -6.802 1.00 0.00 H new ATOM 1251 N HIS A 84 10.476 -7.932 -2.525 1.00 0.00 N ATOM 1252 CA HIS A 84 11.857 -7.571 -2.465 1.00 0.00 C ATOM 1253 C HIS A 84 12.663 -8.753 -2.987 1.00 0.00 C ATOM 1254 O HIS A 84 12.163 -9.879 -3.006 1.00 0.00 O ATOM 1255 CB HIS A 84 12.254 -7.290 -1.017 1.00 0.00 C ATOM 1256 CG HIS A 84 11.259 -6.523 -0.206 1.00 0.00 C ATOM 1257 ND1 HIS A 84 10.003 -7.005 0.058 1.00 0.00 N ATOM 1258 CD2 HIS A 84 11.397 -5.311 0.365 1.00 0.00 C ATOM 1259 CE1 HIS A 84 9.404 -6.078 0.774 1.00 0.00 C ATOM 1260 NE2 HIS A 84 10.206 -5.028 0.982 1.00 0.00 N ATOM 0 H HIS A 84 10.267 -8.826 -2.081 1.00 0.00 H new ATOM 0 HA HIS A 84 12.045 -6.678 -3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.442 -8.242 -0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.195 -6.740 -1.018 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.276 -4.684 0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.393 -6.155 1.146 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.976 -4.180 1.500 1.00 0.00 H new ATOM 1268 N VAL A 85 13.898 -8.510 -3.404 1.00 0.00 N ATOM 1269 CA VAL A 85 14.741 -9.582 -3.945 1.00 0.00 C ATOM 1270 C VAL A 85 15.161 -10.579 -2.855 1.00 0.00 C ATOM 1271 O VAL A 85 15.797 -11.595 -3.135 1.00 0.00 O ATOM 1272 CB VAL A 85 15.999 -9.030 -4.667 1.00 0.00 C ATOM 1273 CG1 VAL A 85 16.726 -10.130 -5.436 1.00 0.00 C ATOM 1274 CG2 VAL A 85 15.625 -7.900 -5.610 1.00 0.00 C ATOM 0 H VAL A 85 14.341 -7.591 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 85 14.130 -10.106 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 85 16.673 -8.645 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.602 -9.710 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.039 -10.912 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.056 -10.555 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.522 -7.528 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.923 -8.268 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.161 -7.092 -5.044 1.00 0.00 H new ATOM 1284 N THR A 86 14.795 -10.302 -1.614 1.00 0.00 N ATOM 1285 CA THR A 86 15.071 -11.235 -0.529 1.00 0.00 C ATOM 1286 C THR A 86 13.946 -12.270 -0.418 1.00 0.00 C ATOM 1287 O THR A 86 14.208 -13.476 -0.426 1.00 0.00 O ATOM 1288 CB THR A 86 15.291 -10.497 0.822 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.327 -11.427 1.914 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.210 -9.455 1.077 1.00 0.00 C ATOM 0 H THR A 86 14.311 -9.449 -1.333 1.00 0.00 H new ATOM 0 HA THR A 86 15.999 -11.757 -0.762 1.00 0.00 H new ATOM 0 HB THR A 86 16.252 -9.987 0.753 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.468 -10.941 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.398 -8.961 2.030 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.222 -8.715 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.235 -9.942 1.107 1.00 0.00 H new ATOM 1298 N LEU A 87 12.700 -11.801 -0.306 1.00 0.00 N ATOM 1299 CA LEU A 87 11.539 -12.694 -0.281 1.00 0.00 C ATOM 1300 C LEU A 87 11.478 -13.563 -1.535 1.00 0.00 C ATOM 1301 O LEU A 87 12.025 -13.216 -2.582 1.00 0.00 O ATOM 1302 CB LEU A 87 10.232 -11.904 -0.192 1.00 0.00 C ATOM 1303 CG LEU A 87 10.195 -10.781 0.837 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.933 -9.968 0.659 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.283 -11.339 2.250 1.00 0.00 C ATOM 0 H LEU A 87 12.470 -10.810 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 87 11.654 -13.324 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.022 -11.477 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.425 -12.601 0.032 1.00 0.00 H new ATOM 0 HG LEU A 87 11.057 -10.133 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.910 -9.166 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.914 -9.540 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.064 -10.611 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.255 -10.519 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.441 -12.008 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.216 -11.891 2.366 1.00 0.00 H new ATOM 1317 N SER A 88 10.793 -14.687 -1.411 1.00 0.00 N ATOM 1318 CA SER A 88 10.567 -15.590 -2.529 1.00 0.00 C ATOM 1319 C SER A 88 9.116 -15.484 -3.002 1.00 0.00 C ATOM 1320 O SER A 88 8.697 -16.182 -3.926 1.00 0.00 O ATOM 1321 CB SER A 88 10.865 -17.013 -2.084 1.00 0.00 C ATOM 1322 OG SER A 88 12.186 -17.118 -1.581 1.00 0.00 O ATOM 0 H SER A 88 10.378 -15.000 -0.534 1.00 0.00 H new ATOM 0 HA SER A 88 11.224 -15.320 -3.356 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.154 -17.315 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.736 -17.696 -2.924 1.00 0.00 H new ATOM 0 HG SER A 88 12.356 -18.041 -1.299 1.00 0.00 H new ATOM 1328 N GLN A 89 8.369 -14.597 -2.354 1.00 0.00 N ATOM 1329 CA GLN A 89 6.952 -14.408 -2.620 1.00 0.00 C ATOM 1330 C GLN A 89 6.502 -13.082 -1.990 1.00 0.00 C ATOM 1331 O GLN A 89 6.716 -12.867 -0.796 1.00 0.00 O ATOM 1332 CB GLN A 89 6.117 -15.590 -2.059 1.00 0.00 C ATOM 1333 CG GLN A 89 6.092 -15.711 -0.534 1.00 0.00 C ATOM 1334 CD GLN A 89 7.391 -16.224 0.062 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.283 -15.446 0.409 1.00 0.00 O ATOM 1336 NE2 GLN A 89 7.504 -17.537 0.188 1.00 0.00 N ATOM 0 H GLN A 89 8.735 -13.985 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 89 6.790 -14.376 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.092 -15.490 -2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.509 -16.519 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.867 -14.734 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.282 -16.380 -0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.742 -18.146 -0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.353 -17.940 0.585 1.00 0.00 H new ATOM 1345 N PRO A 90 5.928 -12.142 -2.769 1.00 0.00 N ATOM 1346 CA PRO A 90 5.427 -10.885 -2.198 1.00 0.00 C ATOM 1347 C PRO A 90 4.274 -11.103 -1.235 1.00 0.00 C ATOM 1348 O PRO A 90 3.552 -12.099 -1.321 1.00 0.00 O ATOM 1349 CB PRO A 90 4.944 -10.071 -3.391 1.00 0.00 C ATOM 1350 CG PRO A 90 4.782 -11.052 -4.509 1.00 0.00 C ATOM 1351 CD PRO A 90 5.756 -12.195 -4.239 1.00 0.00 C ATOM 0 HA PRO A 90 6.211 -10.390 -1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.001 -9.571 -3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.663 -9.294 -3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.757 -11.420 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.995 -10.582 -5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.354 -13.154 -4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.702 -12.052 -4.762 1.00 0.00 H new ATOM 1359 N LYS A 91 4.090 -10.154 -0.338 1.00 0.00 N ATOM 1360 CA LYS A 91 3.055 -10.262 0.673 1.00 0.00 C ATOM 1361 C LYS A 91 1.877 -9.361 0.330 1.00 0.00 C ATOM 1362 O LYS A 91 2.050 -8.303 -0.279 1.00 0.00 O ATOM 1363 CB LYS A 91 3.583 -9.864 2.058 1.00 0.00 C ATOM 1364 CG LYS A 91 4.901 -10.524 2.474 1.00 0.00 C ATOM 1365 CD LYS A 91 4.806 -12.037 2.645 1.00 0.00 C ATOM 1366 CE LYS A 91 5.132 -12.437 4.080 1.00 0.00 C ATOM 1367 NZ LYS A 91 5.170 -13.910 4.259 1.00 0.00 N ATOM 0 H LYS A 91 4.644 -9.299 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 91 2.736 -11.304 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.715 -8.782 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.824 -10.108 2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.661 -10.300 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.237 -10.082 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.803 -12.375 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.495 -12.530 1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.096 -12.014 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.387 -12.011 4.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.395 -14.134 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.243 -14.313 4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.899 -14.316 3.638 1.00 0.00 H new ATOM 1381 N ILE A 92 0.695 -9.797 0.721 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.493 -8.956 0.653 1.00 0.00 C ATOM 1383 C ILE A 92 -0.960 -8.606 2.058 1.00 0.00 C ATOM 1384 O ILE A 92 -1.101 -9.476 2.919 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.664 -9.575 -0.183 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.722 -8.945 -1.584 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.011 -9.395 0.507 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.417 -7.472 -1.586 1.00 0.00 C ATOM 0 H ILE A 92 0.528 -10.733 1.091 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.201 -8.051 0.121 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.463 -10.643 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.013 -9.457 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.714 -9.104 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.796 -9.838 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.990 -9.886 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.212 -8.332 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.475 -7.090 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.141 -6.950 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.414 -7.308 -1.193 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.167 -7.324 2.287 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.688 -6.843 3.553 1.00 0.00 C ATOM 1402 C VAL A 93 -3.040 -6.208 3.310 1.00 0.00 C ATOM 1403 O VAL A 93 -3.155 -5.263 2.535 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.743 -5.817 4.220 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.481 -4.616 3.326 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.300 -5.362 5.560 1.00 0.00 C ATOM 0 H VAL A 93 -0.980 -6.589 1.605 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.775 -7.691 4.232 1.00 0.00 H new ATOM 0 HB VAL A 93 0.210 -6.321 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.188 -3.922 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.019 -4.948 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.423 -4.115 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.619 -4.641 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.274 -4.897 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.407 -6.222 6.221 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.069 -6.721 3.942 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.396 -6.220 3.685 1.00 0.00 C ATOM 1418 C LYS A 94 -5.871 -5.378 4.852 1.00 0.00 C ATOM 1419 O LYS A 94 -5.545 -5.654 6.008 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.363 -7.364 3.406 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.830 -8.345 2.382 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.515 -9.691 2.511 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.174 -10.396 3.815 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.879 -11.698 3.933 1.00 0.00 N ATOM 0 H LYS A 94 -4.014 -7.474 4.628 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.364 -5.590 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.571 -7.893 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.310 -6.956 3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.985 -7.949 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.755 -8.466 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.594 -9.553 2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.225 -10.324 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.098 -10.558 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.444 -9.758 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.623 -12.151 4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.907 -11.540 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.601 -12.316 3.144 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.620 -4.344 4.534 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.104 -3.415 5.541 1.00 0.00 C ATOM 1440 C TRP A 95 -8.313 -4.009 6.256 1.00 0.00 C ATOM 1441 O TRP A 95 -9.321 -4.344 5.626 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.432 -2.054 4.890 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.985 -1.012 5.826 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.490 -0.624 7.046 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.140 -0.192 5.590 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.278 0.355 7.587 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.299 0.639 6.720 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.064 -0.083 4.536 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.339 1.553 6.833 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.091 0.829 4.644 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.230 1.635 5.784 1.00 0.00 C ATOM 0 H TRP A 95 -6.910 -4.122 3.582 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.328 -3.245 6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.525 -1.661 4.430 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.152 -2.217 4.088 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.606 -1.033 7.512 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.129 0.802 8.492 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.970 -0.703 3.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.446 2.176 7.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.802 0.925 3.837 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.052 2.334 5.841 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.192 -4.152 7.574 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.230 -4.764 8.394 1.00 0.00 C ATOM 1464 C ASP A 96 -10.496 -3.913 8.381 1.00 0.00 C ATOM 1465 O ASP A 96 -10.588 -2.897 9.070 1.00 0.00 O ATOM 1466 CB ASP A 96 -8.724 -4.979 9.837 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.105 -3.738 10.451 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.754 -3.099 11.309 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -6.955 -3.410 10.097 1.00 0.00 O ATOM 0 H ASP A 96 -7.373 -3.847 8.101 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.474 -5.739 7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.556 -5.307 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.987 -5.782 9.840 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.472 -4.338 7.578 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.753 -3.645 7.483 1.00 0.00 C ATOM 1476 C ARG A 97 -13.713 -4.446 6.599 1.00 0.00 C ATOM 1477 O ARG A 97 -14.915 -4.178 6.564 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.540 -2.216 6.923 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.547 -2.125 5.388 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.954 -1.995 4.809 1.00 0.00 C ATOM 1481 NE ARG A 97 -13.965 -2.119 3.360 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.077 -2.113 2.636 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.250 -1.879 3.214 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -15.024 -2.347 1.341 1.00 0.00 N ATOM 0 H ARG A 97 -11.397 -5.163 6.982 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.194 -3.559 8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.321 -1.565 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.589 -1.833 7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.950 -1.267 5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.069 -3.013 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.596 -2.762 5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.374 -1.030 5.093 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.073 -2.215 2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.298 -1.703 4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.103 -1.875 2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.127 -2.533 0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.880 -2.342 0.786 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.180 -5.452 5.916 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.943 -6.202 4.920 1.00 0.00 C ATOM 1500 C ASP A 98 -13.317 -7.576 4.669 1.00 0.00 C ATOM 1501 O ASP A 98 -13.900 -8.420 3.993 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.011 -5.425 3.606 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.100 -5.939 2.679 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -14.791 -6.715 1.754 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.274 -5.565 2.881 1.00 0.00 O ATOM 0 H ASP A 98 -12.218 -5.770 6.033 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.951 -6.343 5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.189 -4.371 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.048 -5.489 3.100 1.00 0.00 H new ATOM 1510 N MET A 99 -12.144 -7.815 5.252 1.00 0.00 N ATOM 1511 CA MET A 99 -11.441 -9.073 5.042 1.00 0.00 C ATOM 1512 C MET A 99 -11.848 -10.062 6.126 1.00 0.00 C ATOM 1513 CB MET A 99 -9.914 -8.891 5.050 1.00 0.00 C ATOM 1514 CG MET A 99 -9.366 -8.344 6.363 1.00 0.00 C ATOM 1515 SD MET A 99 -7.563 -8.338 6.413 1.00 0.00 S ATOM 1516 CE MET A 99 -7.276 -7.838 8.108 1.00 0.00 C ATOM 0 H MET A 99 -11.666 -7.158 5.868 1.00 0.00 H new ATOM 0 HA MET A 99 -11.718 -9.453 4.059 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.442 -9.851 4.842 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.634 -8.216 4.241 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.733 -7.328 6.511 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.747 -8.944 7.189 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.785 -6.865 8.122 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.228 -7.771 8.634 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.640 -8.573 8.601 1.00 0.00 H new TER 1525 MET A 99