USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 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 5 TYR OH : rot -60:sc= 0.139 USER MOD Set 1.2: A 97 THR OG1 : rot -40:sc= 0.515 USER MOD Single : A 1 VAL N :NH3+ -118:sc= -1.77 (180deg=-2.51!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -80:sc= -0.475 USER MOD Single : A 9 TYR OH : rot -24:sc= 0.259 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -132:sc= -0.791 (180deg=-1.12) USER MOD Single : A 17 SER OG : rot -77:sc= 0.991 USER MOD Single : A 21 SER OG : rot 142:sc= 1.12 USER MOD Single : A 22 ASN : amide:sc= -0.789 K(o=-0.79,f=-2.4) USER MOD Single : A 25 HIS : no HE2:sc= -18! C(o=-18!,f=-27!) USER MOD Single : A 28 MET CE :methyl 165:sc= -1.58 (180deg=-2.09) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.0633 X(o=0.063,f=-0.071) USER MOD Single : A 54 SER OG : rot 80:sc= -2.14 USER MOD Single : A 56 SER OG : rot 130:sc= 0 USER MOD Single : A 59 THR OG1 : rot 109:sc= 0.461 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1.4!) USER MOD Single : A 69 ASN : amide:sc= -0.844 K(o=-0.84,f=-9.7!) USER MOD Single : A 70 SER OG : rot -150:sc= -0.0206 USER MOD Single : A 78 SER OG : rot 91:sc= 1.11 USER MOD Single : A 84 ASN : amide:sc= -1.61 K(o=-1.6,f=-10!) USER MOD Single : A 86 ASN : amide:sc= -6.2 K(o=-6.2,f=-11!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 88:sc= 0.0146 USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= -0.551 (180deg=-0.71) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.28) USER MOD Single : A 106 ASN : amide:sc=-0.00295 K(o=-0.0029,f=-1.4!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -1.47 K(o=-1.5,f=-2!) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0789 USER MOD Single : A 114 ASN : amide:sc=-0.00886 K(o=-0.0089,f=-1.5!) USER MOD Single : A 117 ASN : amide:sc= -0.382 K(o=-0.38,f=-1.7!) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 91.575 -2.993 14.083 1.00 0.00 N ATOM 2 CA VAL A 1 91.042 -3.578 12.816 1.00 0.00 C ATOM 3 C VAL A 1 92.131 -4.375 12.088 1.00 0.00 C ATOM 4 O VAL A 1 93.310 -4.197 12.340 1.00 0.00 O ATOM 5 CB VAL A 1 90.572 -2.389 11.973 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.451 -1.656 12.711 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.737 -1.427 11.743 1.00 0.00 C ATOM 0 H1 VAL A 1 91.052 -3.383 14.893 1.00 0.00 H new ATOM 0 H2 VAL A 1 92.584 -3.228 14.177 1.00 0.00 H new ATOM 0 H3 VAL A 1 91.461 -1.959 14.063 1.00 0.00 H new ATOM 0 HA VAL A 1 90.225 -4.274 13.006 1.00 0.00 H new ATOM 0 HB VAL A 1 90.206 -2.751 11.012 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.115 -0.809 12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.617 -2.338 12.875 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.821 -1.298 13.671 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.398 -0.582 11.143 1.00 0.00 H new ATOM 0 HG22 VAL A 1 92.105 -1.065 12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.539 -1.946 11.219 1.00 0.00 H new ATOM 17 N SER A 2 91.745 -5.262 11.204 1.00 0.00 N ATOM 18 CA SER A 2 92.756 -6.081 10.465 1.00 0.00 C ATOM 19 C SER A 2 92.811 -5.694 8.981 1.00 0.00 C ATOM 20 O SER A 2 91.808 -5.413 8.354 1.00 0.00 O ATOM 21 CB SER A 2 92.291 -7.524 10.620 1.00 0.00 C ATOM 22 OG SER A 2 92.281 -7.871 11.998 1.00 0.00 O ATOM 0 H SER A 2 90.773 -5.454 10.962 1.00 0.00 H new ATOM 0 HA SER A 2 93.760 -5.924 10.860 1.00 0.00 H new ATOM 0 HB2 SER A 2 91.294 -7.644 10.196 1.00 0.00 H new ATOM 0 HB3 SER A 2 92.954 -8.192 10.070 1.00 0.00 H new ATOM 0 HG SER A 2 91.981 -8.798 12.100 1.00 0.00 H new ATOM 28 N ILE A 3 93.996 -5.684 8.429 1.00 0.00 N ATOM 29 CA ILE A 3 94.179 -5.330 6.989 1.00 0.00 C ATOM 30 C ILE A 3 94.816 -6.497 6.229 1.00 0.00 C ATOM 31 O ILE A 3 95.594 -7.255 6.778 1.00 0.00 O ATOM 32 CB ILE A 3 95.140 -4.133 6.990 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.477 -4.523 7.638 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.513 -2.973 7.763 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.497 -3.408 7.408 1.00 0.00 C ATOM 0 H ILE A 3 94.859 -5.910 8.923 1.00 0.00 H new ATOM 0 HA ILE A 3 93.229 -5.104 6.505 1.00 0.00 H new ATOM 0 HB ILE A 3 95.324 -3.828 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.341 -4.691 8.706 1.00 0.00 H new ATOM 0 HG13 ILE A 3 96.841 -5.458 7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.197 -2.124 7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.575 -2.684 7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.319 -3.283 8.790 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.446 -3.683 7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 3 97.641 -3.261 6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.132 -2.483 7.855 1.00 0.00 H new ATOM 47 N SER A 4 94.511 -6.623 4.967 1.00 0.00 N ATOM 48 CA SER A 4 95.106 -7.710 4.142 1.00 0.00 C ATOM 49 C SER A 4 95.347 -7.170 2.737 1.00 0.00 C ATOM 50 O SER A 4 95.151 -5.996 2.480 1.00 0.00 O ATOM 51 CB SER A 4 94.064 -8.825 4.113 1.00 0.00 C ATOM 52 OG SER A 4 93.860 -9.316 5.431 1.00 0.00 O ATOM 0 H SER A 4 93.867 -6.011 4.467 1.00 0.00 H new ATOM 0 HA SER A 4 96.054 -8.073 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.126 -8.450 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.397 -9.632 3.460 1.00 0.00 H new ATOM 0 HG SER A 4 94.580 -9.939 5.663 1.00 0.00 H new ATOM 58 N TYR A 5 95.757 -8.005 1.824 1.00 0.00 N ATOM 59 CA TYR A 5 95.989 -7.522 0.432 1.00 0.00 C ATOM 60 C TYR A 5 95.533 -8.570 -0.582 1.00 0.00 C ATOM 61 O TYR A 5 95.588 -9.759 -0.323 1.00 0.00 O ATOM 62 CB TYR A 5 97.502 -7.285 0.336 1.00 0.00 C ATOM 63 CG TYR A 5 98.254 -8.569 0.604 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.532 -8.950 1.920 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.680 -9.371 -0.462 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.234 -10.130 2.172 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.384 -10.556 -0.209 1.00 0.00 C ATOM 68 CZ TYR A 5 99.661 -10.936 1.110 1.00 0.00 C ATOM 69 OH TYR A 5 100.354 -12.106 1.359 1.00 0.00 O ATOM 0 H TYR A 5 95.941 -8.996 1.979 1.00 0.00 H new ATOM 0 HA TYR A 5 95.425 -6.615 0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.755 -6.908 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.804 -6.523 1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.204 -8.331 2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.466 -9.076 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.448 -10.422 3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.713 -11.175 -1.030 1.00 0.00 H new ATOM 0 HH TYR A 5 101.177 -11.900 1.849 1.00 0.00 H new ATOM 79 N ASP A 6 95.102 -8.139 -1.742 1.00 0.00 N ATOM 80 CA ASP A 6 94.662 -9.112 -2.784 1.00 0.00 C ATOM 81 C ASP A 6 95.294 -8.739 -4.136 1.00 0.00 C ATOM 82 O ASP A 6 95.477 -7.572 -4.423 1.00 0.00 O ATOM 83 CB ASP A 6 93.138 -8.996 -2.842 1.00 0.00 C ATOM 84 CG ASP A 6 92.508 -10.093 -1.978 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.065 -11.179 -1.935 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 91.480 -9.831 -1.375 1.00 0.00 O ATOM 0 H ASP A 6 95.037 -7.157 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 6 94.968 -10.133 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.824 -8.014 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.795 -9.088 -3.872 1.00 0.00 H new ATOM 91 N PRO A 7 95.630 -9.740 -4.923 1.00 0.00 N ATOM 92 CA PRO A 7 96.270 -9.481 -6.238 1.00 0.00 C ATOM 93 C PRO A 7 95.254 -9.051 -7.310 1.00 0.00 C ATOM 94 O PRO A 7 95.638 -8.734 -8.421 1.00 0.00 O ATOM 95 CB PRO A 7 96.885 -10.827 -6.605 1.00 0.00 C ATOM 96 CG PRO A 7 96.075 -11.852 -5.874 1.00 0.00 C ATOM 97 CD PRO A 7 95.463 -11.182 -4.670 1.00 0.00 C ATOM 0 HA PRO A 7 96.991 -8.666 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.849 -10.994 -7.682 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.933 -10.873 -6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.298 -12.258 -6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.703 -12.688 -5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.411 -11.446 -4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.964 -11.484 -3.750 1.00 0.00 H new ATOM 105 N ILE A 8 93.974 -9.042 -7.010 1.00 0.00 N ATOM 106 CA ILE A 8 92.975 -8.635 -8.054 1.00 0.00 C ATOM 107 C ILE A 8 93.087 -7.133 -8.346 1.00 0.00 C ATOM 108 O ILE A 8 92.972 -6.706 -9.481 1.00 0.00 O ATOM 109 CB ILE A 8 91.580 -9.002 -7.500 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.221 -8.124 -6.291 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.558 -10.476 -7.082 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.777 -8.400 -5.875 1.00 0.00 C ATOM 0 H ILE A 8 93.582 -9.294 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 8 93.155 -9.149 -8.998 1.00 0.00 H new ATOM 0 HB ILE A 8 90.845 -8.830 -8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.897 -8.334 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.344 -7.071 -6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.572 -10.729 -6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.778 -11.103 -7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.308 -10.646 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.520 -7.778 -5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.109 -8.168 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.670 -9.451 -5.606 1.00 0.00 H new ATOM 124 N TYR A 9 93.285 -6.332 -7.332 1.00 0.00 N ATOM 125 CA TYR A 9 93.375 -4.856 -7.554 1.00 0.00 C ATOM 126 C TYR A 9 94.720 -4.487 -8.189 1.00 0.00 C ATOM 127 O TYR A 9 95.541 -3.792 -7.631 1.00 0.00 O ATOM 128 CB TYR A 9 93.151 -4.185 -6.192 1.00 0.00 C ATOM 129 CG TYR A 9 91.831 -4.654 -5.618 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.657 -4.515 -6.367 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.786 -5.252 -4.354 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.439 -4.970 -5.854 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.566 -5.713 -3.842 1.00 0.00 C ATOM 134 CZ TYR A 9 89.395 -5.573 -4.591 1.00 0.00 C ATOM 135 OH TYR A 9 88.198 -6.040 -4.086 1.00 0.00 O ATOM 0 H TYR A 9 93.388 -6.633 -6.363 1.00 0.00 H new ATOM 0 HA TYR A 9 92.617 -4.507 -8.255 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.966 -4.434 -5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.148 -3.101 -6.303 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.692 -4.055 -7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.691 -5.358 -3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.533 -4.857 -6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.531 -6.177 -2.867 1.00 0.00 H new ATOM 0 HH TYR A 9 87.455 -5.561 -4.509 1.00 0.00 H new ATOM 145 N ALA A 10 94.882 -4.937 -9.410 1.00 0.00 N ATOM 146 CA ALA A 10 96.095 -4.634 -10.224 1.00 0.00 C ATOM 147 C ALA A 10 95.712 -3.622 -11.306 1.00 0.00 C ATOM 148 O ALA A 10 94.562 -3.256 -11.453 1.00 0.00 O ATOM 149 CB ALA A 10 96.545 -5.963 -10.834 1.00 0.00 C ATOM 0 H ALA A 10 94.197 -5.522 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 10 96.904 -4.202 -9.635 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.434 -5.801 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.775 -6.670 -10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.747 -6.366 -11.457 1.00 0.00 H new ATOM 155 N ALA A 11 96.690 -3.114 -12.007 1.00 0.00 N ATOM 156 CA ALA A 11 96.432 -2.051 -13.026 1.00 0.00 C ATOM 157 C ALA A 11 95.474 -2.487 -14.137 1.00 0.00 C ATOM 158 O ALA A 11 94.735 -1.661 -14.647 1.00 0.00 O ATOM 159 CB ALA A 11 97.802 -1.711 -13.614 1.00 0.00 C ATOM 0 H ALA A 11 97.667 -3.392 -11.917 1.00 0.00 H new ATOM 0 HA ALA A 11 95.944 -1.198 -12.553 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.690 -0.935 -14.372 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.459 -1.353 -12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.234 -2.602 -14.069 1.00 0.00 H new ATOM 165 N ASP A 12 95.479 -3.730 -14.564 1.00 0.00 N ATOM 166 CA ASP A 12 94.559 -4.097 -15.687 1.00 0.00 C ATOM 167 C ASP A 12 93.184 -4.543 -15.179 1.00 0.00 C ATOM 168 O ASP A 12 92.369 -5.035 -15.938 1.00 0.00 O ATOM 169 CB ASP A 12 95.266 -5.205 -16.465 1.00 0.00 C ATOM 170 CG ASP A 12 96.478 -4.627 -17.203 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.446 -3.451 -17.534 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.418 -5.371 -17.429 1.00 0.00 O ATOM 0 H ASP A 12 96.060 -4.483 -14.197 1.00 0.00 H new ATOM 0 HA ASP A 12 94.358 -3.236 -16.325 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.585 -5.994 -15.784 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.577 -5.659 -17.177 1.00 0.00 H new ATOM 177 N LEU A 13 92.912 -4.362 -13.912 1.00 0.00 N ATOM 178 CA LEU A 13 91.584 -4.756 -13.357 1.00 0.00 C ATOM 179 C LEU A 13 90.515 -3.797 -13.870 1.00 0.00 C ATOM 180 O LEU A 13 90.605 -2.597 -13.684 1.00 0.00 O ATOM 181 CB LEU A 13 91.727 -4.625 -11.837 1.00 0.00 C ATOM 182 CG LEU A 13 90.416 -5.042 -11.162 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.141 -6.519 -11.437 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.527 -4.822 -9.658 1.00 0.00 C ATOM 0 H LEU A 13 93.557 -3.956 -13.235 1.00 0.00 H new ATOM 0 HA LEU A 13 91.293 -5.765 -13.649 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.546 -5.251 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.974 -3.597 -11.572 1.00 0.00 H new ATOM 0 HG LEU A 13 89.599 -4.441 -11.562 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.208 -6.811 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.060 -6.680 -12.512 1.00 0.00 H new ATOM 0 HD13 LEU A 13 90.958 -7.121 -11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.595 -5.118 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.346 -5.422 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.719 -3.768 -9.458 1.00 0.00 H new ATOM 196 N SER A 14 89.509 -4.318 -14.517 1.00 0.00 N ATOM 197 CA SER A 14 88.435 -3.435 -15.051 1.00 0.00 C ATOM 198 C SER A 14 87.626 -2.834 -13.902 1.00 0.00 C ATOM 199 O SER A 14 87.292 -3.498 -12.940 1.00 0.00 O ATOM 200 CB SER A 14 87.564 -4.326 -15.933 1.00 0.00 C ATOM 201 OG SER A 14 88.253 -4.604 -17.143 1.00 0.00 O ATOM 0 H SER A 14 89.385 -5.314 -14.698 1.00 0.00 H new ATOM 0 HA SER A 14 88.840 -2.598 -15.620 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.329 -5.255 -15.413 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.616 -3.832 -16.146 1.00 0.00 H new ATOM 0 HG SER A 14 87.698 -5.177 -17.711 1.00 0.00 H new ATOM 207 N MET A 15 87.332 -1.569 -14.005 1.00 0.00 N ATOM 208 CA MET A 15 86.560 -0.871 -12.930 1.00 0.00 C ATOM 209 C MET A 15 85.130 -1.420 -12.818 1.00 0.00 C ATOM 210 O MET A 15 84.456 -1.192 -11.831 1.00 0.00 O ATOM 211 CB MET A 15 86.545 0.601 -13.345 1.00 0.00 C ATOM 212 CG MET A 15 87.960 1.173 -13.225 1.00 0.00 C ATOM 213 SD MET A 15 88.417 1.291 -11.477 1.00 0.00 S ATOM 214 CE MET A 15 87.485 2.795 -11.098 1.00 0.00 C ATOM 0 H MET A 15 87.595 -0.979 -14.795 1.00 0.00 H new ATOM 0 HA MET A 15 87.014 -1.019 -11.950 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.186 0.699 -14.370 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.858 1.163 -12.712 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.668 0.535 -13.755 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.007 2.157 -13.691 1.00 0.00 H new ATOM 0 HE1 MET A 15 88.125 3.493 -10.558 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.146 3.256 -12.025 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.622 2.543 -10.481 1.00 0.00 H new ATOM 224 N GLY A 16 84.651 -2.122 -13.815 1.00 0.00 N ATOM 225 CA GLY A 16 83.257 -2.664 -13.762 1.00 0.00 C ATOM 226 C GLY A 16 83.157 -3.832 -12.774 1.00 0.00 C ATOM 227 O GLY A 16 82.071 -4.212 -12.376 1.00 0.00 O ATOM 0 H GLY A 16 85.167 -2.344 -14.666 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.567 -1.874 -13.467 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.955 -2.997 -14.755 1.00 0.00 H new ATOM 231 N SER A 17 84.263 -4.413 -12.382 1.00 0.00 N ATOM 232 CA SER A 17 84.210 -5.564 -11.431 1.00 0.00 C ATOM 233 C SER A 17 84.284 -5.087 -9.977 1.00 0.00 C ATOM 234 O SER A 17 83.948 -5.819 -9.064 1.00 0.00 O ATOM 235 CB SER A 17 85.429 -6.417 -11.770 1.00 0.00 C ATOM 236 OG SER A 17 86.608 -5.728 -11.375 1.00 0.00 O ATOM 0 H SER A 17 85.200 -4.140 -12.679 1.00 0.00 H new ATOM 0 HA SER A 17 83.276 -6.117 -11.527 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.368 -7.379 -11.260 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.456 -6.624 -12.840 1.00 0.00 H new ATOM 0 HG SER A 17 86.807 -5.021 -12.024 1.00 0.00 H new ATOM 242 N VAL A 18 84.726 -3.876 -9.751 1.00 0.00 N ATOM 243 CA VAL A 18 84.829 -3.363 -8.351 1.00 0.00 C ATOM 244 C VAL A 18 83.518 -2.680 -7.957 1.00 0.00 C ATOM 245 O VAL A 18 82.778 -2.219 -8.801 1.00 0.00 O ATOM 246 CB VAL A 18 86.004 -2.364 -8.370 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.759 -1.275 -9.421 1.00 0.00 C ATOM 248 CG2 VAL A 18 86.158 -1.698 -7.001 1.00 0.00 C ATOM 0 H VAL A 18 85.020 -3.220 -10.475 1.00 0.00 H new ATOM 0 HA VAL A 18 85.002 -4.155 -7.622 1.00 0.00 H new ATOM 0 HB VAL A 18 86.912 -2.915 -8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.596 -0.577 -9.423 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.666 -1.734 -10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.840 -0.739 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.991 -0.996 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 18 85.241 -1.164 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.351 -2.460 -6.246 1.00 0.00 H new ATOM 258 N ALA A 19 83.224 -2.617 -6.676 1.00 0.00 N ATOM 259 CA ALA A 19 81.952 -1.965 -6.205 1.00 0.00 C ATOM 260 C ALA A 19 81.775 -0.595 -6.871 1.00 0.00 C ATOM 261 O ALA A 19 80.690 -0.223 -7.269 1.00 0.00 O ATOM 262 CB ALA A 19 82.116 -1.811 -4.688 1.00 0.00 C ATOM 0 H ALA A 19 83.813 -2.991 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 19 81.071 -2.555 -6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 19 81.225 -1.341 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 19 82.254 -2.793 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.986 -1.189 -4.477 1.00 0.00 H new ATOM 268 N CYS A 20 82.844 0.140 -7.007 1.00 0.00 N ATOM 269 CA CYS A 20 82.762 1.477 -7.670 1.00 0.00 C ATOM 270 C CYS A 20 82.704 1.261 -9.191 1.00 0.00 C ATOM 271 O CYS A 20 83.722 1.304 -9.858 1.00 0.00 O ATOM 272 CB CYS A 20 84.069 2.195 -7.264 1.00 0.00 C ATOM 273 SG CYS A 20 83.720 3.812 -6.516 1.00 0.00 S ATOM 0 H CYS A 20 83.775 -0.127 -6.687 1.00 0.00 H new ATOM 0 HA CYS A 20 81.885 2.057 -7.382 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.624 1.576 -6.558 1.00 0.00 H new ATOM 0 HB3 CYS A 20 84.703 2.326 -8.141 1.00 0.00 H new ATOM 278 N SER A 21 81.537 0.978 -9.749 1.00 0.00 N ATOM 279 CA SER A 21 81.477 0.709 -11.224 1.00 0.00 C ATOM 280 C SER A 21 81.174 1.972 -12.042 1.00 0.00 C ATOM 281 O SER A 21 82.086 2.602 -12.542 1.00 0.00 O ATOM 282 CB SER A 21 80.372 -0.334 -11.400 1.00 0.00 C ATOM 283 OG SER A 21 80.693 -1.492 -10.644 1.00 0.00 O ATOM 0 H SER A 21 80.646 0.924 -9.255 1.00 0.00 H new ATOM 0 HA SER A 21 82.441 0.358 -11.591 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.416 0.074 -11.073 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.265 -0.592 -12.454 1.00 0.00 H new ATOM 0 HG SER A 21 79.877 -1.858 -10.243 1.00 0.00 H new ATOM 289 N ASN A 22 79.924 2.361 -12.191 1.00 0.00 N ATOM 290 CA ASN A 22 79.639 3.594 -12.995 1.00 0.00 C ATOM 291 C ASN A 22 78.323 4.262 -12.589 1.00 0.00 C ATOM 292 O ASN A 22 77.777 5.058 -13.331 1.00 0.00 O ATOM 293 CB ASN A 22 79.557 3.115 -14.440 1.00 0.00 C ATOM 294 CG ASN A 22 79.625 4.318 -15.383 1.00 0.00 C ATOM 295 OD1 ASN A 22 80.457 5.188 -15.219 1.00 0.00 O ATOM 296 ND2 ASN A 22 78.777 4.405 -16.373 1.00 0.00 N ATOM 0 H ASN A 22 79.108 1.889 -11.800 1.00 0.00 H new ATOM 0 HA ASN A 22 80.414 4.344 -12.838 1.00 0.00 H new ATOM 0 HB2 ASN A 22 80.375 2.427 -14.653 1.00 0.00 H new ATOM 0 HB3 ASN A 22 78.629 2.566 -14.600 1.00 0.00 H new ATOM 0 HD21 ASN A 22 78.814 5.203 -17.007 1.00 0.00 H new ATOM 0 HD22 ASN A 22 78.078 3.675 -16.512 1.00 0.00 H new ATOM 303 N GLY A 23 77.809 3.949 -11.432 1.00 0.00 N ATOM 304 CA GLY A 23 76.526 4.569 -10.990 1.00 0.00 C ATOM 305 C GLY A 23 76.743 6.064 -10.778 1.00 0.00 C ATOM 306 O GLY A 23 77.475 6.710 -11.504 1.00 0.00 O ATOM 0 H GLY A 23 78.222 3.290 -10.772 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.751 4.404 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.182 4.104 -10.066 1.00 0.00 H new ATOM 310 N ASP A 24 76.135 6.606 -9.763 1.00 0.00 N ATOM 311 CA ASP A 24 76.314 8.057 -9.452 1.00 0.00 C ATOM 312 C ASP A 24 77.729 8.300 -8.937 1.00 0.00 C ATOM 313 O ASP A 24 78.368 9.267 -9.310 1.00 0.00 O ATOM 314 CB ASP A 24 75.292 8.357 -8.351 1.00 0.00 C ATOM 315 CG ASP A 24 75.221 9.868 -8.098 1.00 0.00 C ATOM 316 OD1 ASP A 24 76.197 10.548 -8.376 1.00 0.00 O1- ATOM 317 OD2 ASP A 24 74.192 10.318 -7.622 1.00 0.00 O ATOM 0 H ASP A 24 75.515 6.104 -9.127 1.00 0.00 H new ATOM 0 HA ASP A 24 76.169 8.691 -10.326 1.00 0.00 H new ATOM 0 HB2 ASP A 24 74.311 7.982 -8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.571 7.839 -7.433 1.00 0.00 H new ATOM 322 N HIS A 25 78.224 7.443 -8.086 1.00 0.00 N ATOM 323 CA HIS A 25 79.600 7.639 -7.548 1.00 0.00 C ATOM 324 C HIS A 25 80.626 6.788 -8.335 1.00 0.00 C ATOM 325 O HIS A 25 81.790 6.740 -7.984 1.00 0.00 O ATOM 326 CB HIS A 25 79.498 7.200 -6.075 1.00 0.00 C ATOM 327 CG HIS A 25 79.603 5.710 -5.960 1.00 0.00 C ATOM 328 ND1 HIS A 25 80.813 5.062 -6.084 1.00 0.00 N ATOM 329 CD2 HIS A 25 78.678 4.738 -5.731 1.00 0.00 C ATOM 330 CE1 HIS A 25 80.587 3.754 -5.914 1.00 0.00 C ATOM 331 NE2 HIS A 25 79.312 3.507 -5.706 1.00 0.00 N ATOM 0 H HIS A 25 77.736 6.617 -7.741 1.00 0.00 H new ATOM 0 HA HIS A 25 79.948 8.668 -7.640 1.00 0.00 H new ATOM 0 HB2 HIS A 25 80.290 7.672 -5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 25 78.550 7.537 -5.654 1.00 0.00 H new ATOM 0 HD1 HIS A 25 81.715 5.499 -6.271 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.620 4.901 -5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 25 81.356 2.996 -5.944 1.00 0.00 H new ATOM 339 N GLY A 26 80.202 6.110 -9.379 1.00 0.00 N ATOM 340 CA GLY A 26 81.149 5.260 -10.162 1.00 0.00 C ATOM 341 C GLY A 26 82.330 6.090 -10.668 1.00 0.00 C ATOM 342 O GLY A 26 82.186 7.241 -11.033 1.00 0.00 O ATOM 0 H GLY A 26 79.240 6.111 -9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.513 4.443 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.627 4.809 -11.006 1.00 0.00 H new ATOM 346 N LEU A 27 83.493 5.495 -10.707 1.00 0.00 N ATOM 347 CA LEU A 27 84.702 6.217 -11.206 1.00 0.00 C ATOM 348 C LEU A 27 84.997 5.831 -12.667 1.00 0.00 C ATOM 349 O LEU A 27 85.906 6.358 -13.280 1.00 0.00 O ATOM 350 CB LEU A 27 85.837 5.759 -10.289 1.00 0.00 C ATOM 351 CG LEU A 27 85.588 6.288 -8.875 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.590 5.656 -7.904 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.756 7.808 -8.867 1.00 0.00 C ATOM 0 H LEU A 27 83.659 4.533 -10.412 1.00 0.00 H new ATOM 0 HA LEU A 27 84.572 7.299 -11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.894 4.671 -10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.793 6.125 -10.664 1.00 0.00 H new ATOM 0 HG LEU A 27 84.576 6.031 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.410 6.035 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.470 4.573 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.604 5.910 -8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.579 8.188 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.769 8.064 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 27 85.040 8.257 -9.555 1.00 0.00 H new ATOM 365 N MET A 28 84.231 4.923 -13.228 1.00 0.00 N ATOM 366 CA MET A 28 84.457 4.502 -14.647 1.00 0.00 C ATOM 367 C MET A 28 84.313 5.699 -15.593 1.00 0.00 C ATOM 368 O MET A 28 84.993 5.789 -16.599 1.00 0.00 O ATOM 369 CB MET A 28 83.363 3.462 -14.933 1.00 0.00 C ATOM 370 CG MET A 28 83.481 2.945 -16.371 1.00 0.00 C ATOM 371 SD MET A 28 84.903 1.835 -16.509 1.00 0.00 S ATOM 372 CE MET A 28 84.136 0.385 -15.746 1.00 0.00 C ATOM 0 H MET A 28 83.455 4.454 -12.760 1.00 0.00 H new ATOM 0 HA MET A 28 85.458 4.099 -14.798 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.450 2.631 -14.233 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.380 3.907 -14.779 1.00 0.00 H new ATOM 0 HG2 MET A 28 82.569 2.419 -16.654 1.00 0.00 H new ATOM 0 HG3 MET A 28 83.593 3.782 -17.060 1.00 0.00 H new ATOM 0 HE1 MET A 28 84.736 -0.499 -15.961 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.077 0.530 -14.667 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.133 0.249 -16.150 1.00 0.00 H new ATOM 382 N ALA A 29 83.400 6.592 -15.304 1.00 0.00 N ATOM 383 CA ALA A 29 83.164 7.762 -16.213 1.00 0.00 C ATOM 384 C ALA A 29 84.471 8.500 -16.553 1.00 0.00 C ATOM 385 O ALA A 29 85.015 8.343 -17.629 1.00 0.00 O ATOM 386 CB ALA A 29 82.208 8.684 -15.446 1.00 0.00 C ATOM 0 H ALA A 29 82.805 6.563 -14.476 1.00 0.00 H new ATOM 0 HA ALA A 29 82.751 7.437 -17.168 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.989 9.564 -16.050 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.282 8.151 -15.232 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.673 8.993 -14.510 1.00 0.00 H new ATOM 392 N GLN A 30 84.971 9.307 -15.645 1.00 0.00 N ATOM 393 CA GLN A 30 86.238 10.062 -15.920 1.00 0.00 C ATOM 394 C GLN A 30 87.442 9.120 -15.956 1.00 0.00 C ATOM 395 O GLN A 30 88.341 9.276 -16.762 1.00 0.00 O ATOM 396 CB GLN A 30 86.381 11.044 -14.760 1.00 0.00 C ATOM 397 CG GLN A 30 85.310 12.119 -14.876 1.00 0.00 C ATOM 398 CD GLN A 30 85.445 13.108 -13.718 1.00 0.00 C ATOM 399 OE1 GLN A 30 86.464 13.752 -13.569 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.454 13.255 -12.880 1.00 0.00 N ATOM 0 H GLN A 30 84.558 9.475 -14.728 1.00 0.00 H new ATOM 0 HA GLN A 30 86.200 10.563 -16.887 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.284 10.519 -13.810 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.372 11.498 -14.773 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.408 12.642 -15.827 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.320 11.663 -14.864 1.00 0.00 H new ATOM 0 HE21 GLN A 30 83.597 12.715 -13.003 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.537 13.910 -12.102 1.00 0.00 H new ATOM 409 N TYR A 31 87.472 8.163 -15.069 1.00 0.00 N ATOM 410 CA TYR A 31 88.625 7.216 -15.017 1.00 0.00 C ATOM 411 C TYR A 31 88.120 5.785 -15.246 1.00 0.00 C ATOM 412 O TYR A 31 87.786 5.097 -14.303 1.00 0.00 O ATOM 413 CB TYR A 31 89.208 7.362 -13.603 1.00 0.00 C ATOM 414 CG TYR A 31 89.540 8.814 -13.325 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.781 9.340 -13.706 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.598 9.634 -12.691 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.079 10.685 -13.450 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.897 10.977 -12.435 1.00 0.00 C ATOM 419 CZ TYR A 31 90.137 11.502 -12.815 1.00 0.00 C ATOM 420 OH TYR A 31 90.431 12.828 -12.565 1.00 0.00 O ATOM 0 H TYR A 31 86.744 7.995 -14.374 1.00 0.00 H new ATOM 0 HA TYR A 31 89.374 7.427 -15.781 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.492 6.997 -12.866 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.105 6.751 -13.506 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.508 8.709 -14.197 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.640 9.230 -12.399 1.00 0.00 H new ATOM 0 HE1 TYR A 31 92.036 11.091 -13.743 1.00 0.00 H new ATOM 0 HE2 TYR A 31 88.171 11.608 -11.944 1.00 0.00 H new ATOM 0 HH TYR A 31 89.669 13.254 -12.119 1.00 0.00 H new ATOM 430 N PRO A 32 88.056 5.379 -16.497 1.00 0.00 N ATOM 431 CA PRO A 32 87.554 4.019 -16.815 1.00 0.00 C ATOM 432 C PRO A 32 88.527 2.934 -16.336 1.00 0.00 C ATOM 433 O PRO A 32 88.166 1.776 -16.237 1.00 0.00 O ATOM 434 CB PRO A 32 87.431 4.025 -18.337 1.00 0.00 C ATOM 435 CG PRO A 32 88.390 5.075 -18.796 1.00 0.00 C ATOM 436 CD PRO A 32 88.439 6.119 -17.713 1.00 0.00 C ATOM 0 HA PRO A 32 86.611 3.794 -16.318 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.681 3.051 -18.757 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.413 4.256 -18.650 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.378 4.648 -18.967 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.063 5.511 -19.740 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.434 6.554 -17.620 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.751 6.939 -17.916 1.00 0.00 H new ATOM 444 N THR A 33 89.754 3.291 -16.041 1.00 0.00 N ATOM 445 CA THR A 33 90.741 2.271 -15.574 1.00 0.00 C ATOM 446 C THR A 33 91.353 2.697 -14.238 1.00 0.00 C ATOM 447 O THR A 33 91.642 3.857 -14.015 1.00 0.00 O ATOM 448 CB THR A 33 91.809 2.226 -16.665 1.00 0.00 C ATOM 449 OG1 THR A 33 91.185 2.074 -17.931 1.00 0.00 O ATOM 450 CG2 THR A 33 92.746 1.046 -16.409 1.00 0.00 C ATOM 0 H THR A 33 90.113 4.244 -16.104 1.00 0.00 H new ATOM 0 HA THR A 33 90.282 1.296 -15.413 1.00 0.00 H new ATOM 0 HB THR A 33 92.382 3.153 -16.654 1.00 0.00 H new ATOM 0 HG1 THR A 33 91.869 2.047 -18.632 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.509 1.012 -17.187 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.224 1.165 -15.437 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.174 0.118 -16.421 1.00 0.00 H new ATOM 458 N LEU A 34 91.545 1.757 -13.347 1.00 0.00 N ATOM 459 CA LEU A 34 92.133 2.084 -12.008 1.00 0.00 C ATOM 460 C LEU A 34 93.602 2.496 -12.149 1.00 0.00 C ATOM 461 O LEU A 34 94.421 1.722 -12.608 1.00 0.00 O ATOM 462 CB LEU A 34 92.033 0.770 -11.223 1.00 0.00 C ATOM 463 CG LEU A 34 92.604 0.953 -9.813 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.703 1.895 -9.012 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.669 -0.408 -9.117 1.00 0.00 C ATOM 0 H LEU A 34 91.319 0.772 -13.488 1.00 0.00 H new ATOM 0 HA LEU A 34 91.618 2.912 -11.521 1.00 0.00 H new ATOM 0 HB2 LEU A 34 90.992 0.451 -11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.578 -0.017 -11.745 1.00 0.00 H new ATOM 0 HG LEU A 34 93.604 1.381 -9.876 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.111 2.024 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.654 2.863 -9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.701 1.470 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.075 -0.284 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.667 -0.833 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.312 -1.078 -9.688 1.00 0.00 H new ATOM 477 N GLY A 35 93.948 3.692 -11.751 1.00 0.00 N ATOM 478 CA GLY A 35 95.375 4.131 -11.856 1.00 0.00 C ATOM 479 C GLY A 35 95.465 5.654 -12.033 1.00 0.00 C ATOM 480 O GLY A 35 96.362 6.151 -12.689 1.00 0.00 O ATOM 0 H GLY A 35 93.308 4.383 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.919 3.832 -10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.852 3.633 -12.700 1.00 0.00 H new ATOM 484 N GLU A 36 94.555 6.400 -11.452 1.00 0.00 N ATOM 485 CA GLU A 36 94.600 7.883 -11.584 1.00 0.00 C ATOM 486 C GLU A 36 93.870 8.550 -10.416 1.00 0.00 C ATOM 487 O GLU A 36 94.404 9.437 -9.778 1.00 0.00 O ATOM 488 CB GLU A 36 93.895 8.181 -12.902 1.00 0.00 C ATOM 489 CG GLU A 36 94.045 9.669 -13.251 1.00 0.00 C ATOM 490 CD GLU A 36 95.531 10.041 -13.396 1.00 0.00 C ATOM 491 OE1 GLU A 36 96.338 9.142 -13.578 1.00 0.00 O ATOM 492 OE2 GLU A 36 95.833 11.221 -13.322 1.00 0.00 O1- ATOM 0 H GLU A 36 93.783 6.040 -10.891 1.00 0.00 H new ATOM 0 HA GLU A 36 95.620 8.266 -11.570 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.318 7.568 -13.697 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.839 7.921 -12.826 1.00 0.00 H new ATOM 0 HG2 GLU A 36 93.517 9.886 -14.180 1.00 0.00 H new ATOM 0 HG3 GLU A 36 93.585 10.279 -12.473 1.00 0.00 H new ATOM 499 N VAL A 37 92.664 8.125 -10.117 1.00 0.00 N ATOM 500 CA VAL A 37 91.923 8.740 -8.968 1.00 0.00 C ATOM 501 C VAL A 37 92.735 8.495 -7.672 1.00 0.00 C ATOM 502 O VAL A 37 93.163 9.437 -7.036 1.00 0.00 O ATOM 503 CB VAL A 37 90.536 8.052 -8.979 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.910 8.013 -7.580 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.609 8.834 -9.912 1.00 0.00 C ATOM 0 H VAL A 37 92.165 7.387 -10.613 1.00 0.00 H new ATOM 0 HA VAL A 37 91.792 9.820 -9.035 1.00 0.00 H new ATOM 0 HB VAL A 37 90.667 7.025 -9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.938 7.523 -7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.562 7.458 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.785 9.030 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.627 8.361 -9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.511 9.859 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 37 90.027 8.841 -10.919 1.00 0.00 H new ATOM 515 N PRO A 38 92.962 7.239 -7.345 1.00 0.00 N ATOM 516 CA PRO A 38 93.776 6.909 -6.148 1.00 0.00 C ATOM 517 C PRO A 38 95.251 7.160 -6.468 1.00 0.00 C ATOM 518 O PRO A 38 96.045 7.505 -5.614 1.00 0.00 O ATOM 519 CB PRO A 38 93.541 5.414 -5.951 1.00 0.00 C ATOM 520 CG PRO A 38 93.169 4.895 -7.299 1.00 0.00 C ATOM 521 CD PRO A 38 92.497 6.022 -8.036 1.00 0.00 C ATOM 0 HA PRO A 38 93.516 7.498 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.437 4.921 -5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.747 5.232 -5.226 1.00 0.00 H new ATOM 0 HG2 PRO A 38 94.053 4.555 -7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.500 4.039 -7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.777 6.031 -9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.411 5.932 -7.996 1.00 0.00 H new ATOM 529 N GLY A 39 95.609 6.962 -7.707 1.00 0.00 N ATOM 530 CA GLY A 39 97.015 7.146 -8.150 1.00 0.00 C ATOM 531 C GLY A 39 97.409 5.901 -8.940 1.00 0.00 C ATOM 532 O GLY A 39 97.626 5.957 -10.133 1.00 0.00 O ATOM 0 H GLY A 39 94.968 6.674 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 39 97.109 8.039 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.674 7.281 -7.292 1.00 0.00 H new ATOM 536 N PHE A 40 97.432 4.770 -8.261 1.00 0.00 N ATOM 537 CA PHE A 40 97.743 3.428 -8.884 1.00 0.00 C ATOM 538 C PHE A 40 98.092 2.402 -7.765 1.00 0.00 C ATOM 539 O PHE A 40 97.328 1.486 -7.536 1.00 0.00 O ATOM 540 CB PHE A 40 98.892 3.628 -9.915 1.00 0.00 C ATOM 541 CG PHE A 40 99.582 2.316 -10.247 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.824 1.157 -10.468 1.00 0.00 C ATOM 543 CD2 PHE A 40 100.978 2.263 -10.343 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.459 -0.049 -10.779 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.614 1.056 -10.657 1.00 0.00 C ATOM 546 CZ PHE A 40 100.855 -0.100 -10.875 1.00 0.00 C ATOM 0 H PHE A 40 97.240 4.719 -7.260 1.00 0.00 H new ATOM 0 HA PHE A 40 96.883 3.022 -9.416 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.490 4.069 -10.827 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.622 4.332 -9.515 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.747 1.196 -10.398 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.565 3.154 -10.175 1.00 0.00 H new ATOM 0 HE1 PHE A 40 98.873 -0.941 -10.945 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.691 1.017 -10.731 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.346 -1.031 -11.117 1.00 0.00 H new ATOM 556 N PRO A 41 99.226 2.579 -7.091 1.00 0.00 N ATOM 557 CA PRO A 41 99.609 1.635 -6.000 1.00 0.00 C ATOM 558 C PRO A 41 98.870 1.961 -4.689 1.00 0.00 C ATOM 559 O PRO A 41 99.069 1.301 -3.686 1.00 0.00 O ATOM 560 CB PRO A 41 101.095 1.906 -5.798 1.00 0.00 C ATOM 561 CG PRO A 41 101.294 3.321 -6.235 1.00 0.00 C ATOM 562 CD PRO A 41 100.246 3.626 -7.271 1.00 0.00 C ATOM 0 HA PRO A 41 99.368 0.603 -6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.382 1.771 -4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.705 1.221 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.204 4.000 -5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 41 102.293 3.458 -6.649 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.823 4.620 -7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 41 100.665 3.602 -8.277 1.00 0.00 H new ATOM 570 N ASN A 42 98.045 2.979 -4.679 1.00 0.00 N ATOM 571 CA ASN A 42 97.323 3.358 -3.433 1.00 0.00 C ATOM 572 C ASN A 42 95.838 3.034 -3.587 1.00 0.00 C ATOM 573 O ASN A 42 94.986 3.896 -3.466 1.00 0.00 O ATOM 574 CB ASN A 42 97.533 4.870 -3.319 1.00 0.00 C ATOM 575 CG ASN A 42 98.992 5.170 -2.967 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.675 5.858 -3.698 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.503 4.682 -1.869 1.00 0.00 N ATOM 0 H ASN A 42 97.842 3.566 -5.488 1.00 0.00 H new ATOM 0 HA ASN A 42 97.680 2.826 -2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.270 5.354 -4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.874 5.281 -2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.474 4.879 -1.627 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.931 4.104 -1.253 1.00 0.00 H new ATOM 584 N VAL A 43 95.530 1.799 -3.865 1.00 0.00 N ATOM 585 CA VAL A 43 94.108 1.402 -4.048 1.00 0.00 C ATOM 586 C VAL A 43 93.779 0.174 -3.196 1.00 0.00 C ATOM 587 O VAL A 43 94.534 -0.782 -3.136 1.00 0.00 O ATOM 588 CB VAL A 43 93.969 1.103 -5.547 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.792 -0.133 -5.934 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.496 0.862 -5.870 1.00 0.00 C ATOM 0 H VAL A 43 96.206 1.043 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 43 93.414 2.181 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 43 94.343 1.954 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.679 -0.326 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.843 0.044 -5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.440 -0.996 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 43 92.387 0.649 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 43 92.130 0.014 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.918 1.751 -5.617 1.00 0.00 H new ATOM 600 N GLY A 44 92.653 0.208 -2.538 1.00 0.00 N ATOM 601 CA GLY A 44 92.245 -0.940 -1.677 1.00 0.00 C ATOM 602 C GLY A 44 90.760 -0.824 -1.322 1.00 0.00 C ATOM 603 O GLY A 44 90.112 0.161 -1.622 1.00 0.00 O ATOM 0 H GLY A 44 91.994 0.986 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.431 -1.880 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.845 -0.955 -0.767 1.00 0.00 H new ATOM 607 N GLY A 45 90.221 -1.835 -0.686 1.00 0.00 N ATOM 608 CA GLY A 45 88.781 -1.814 -0.302 1.00 0.00 C ATOM 609 C GLY A 45 88.626 -1.244 1.108 1.00 0.00 C ATOM 610 O GLY A 45 89.576 -1.172 1.868 1.00 0.00 O ATOM 0 H GLY A 45 90.724 -2.680 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.215 -1.210 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.370 -2.823 -0.343 1.00 0.00 H new ATOM 614 N ILE A 46 87.428 -0.857 1.466 1.00 0.00 N ATOM 615 CA ILE A 46 87.182 -0.301 2.832 1.00 0.00 C ATOM 616 C ILE A 46 85.796 -0.748 3.348 1.00 0.00 C ATOM 617 O ILE A 46 84.929 -1.093 2.569 1.00 0.00 O ATOM 618 CB ILE A 46 87.264 1.239 2.717 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.590 1.728 1.425 1.00 0.00 C ATOM 620 CG2 ILE A 46 88.734 1.684 2.728 1.00 0.00 C ATOM 621 CD1 ILE A 46 85.817 3.020 1.701 1.00 0.00 C ATOM 0 H ILE A 46 86.604 -0.903 0.867 1.00 0.00 H new ATOM 0 HA ILE A 46 87.922 -0.666 3.544 1.00 0.00 H new ATOM 0 HB ILE A 46 86.742 1.674 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.342 1.900 0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.913 0.963 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 46 88.786 2.770 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.203 1.367 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.257 1.232 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.341 3.363 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.054 2.833 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.504 3.786 2.061 1.00 0.00 H new ATOM 633 N PRO A 47 85.643 -0.742 4.657 1.00 0.00 N ATOM 634 CA PRO A 47 84.361 -1.173 5.298 1.00 0.00 C ATOM 635 C PRO A 47 83.200 -0.205 5.030 1.00 0.00 C ATOM 636 O PRO A 47 82.068 -0.501 5.370 1.00 0.00 O ATOM 637 CB PRO A 47 84.697 -1.167 6.789 1.00 0.00 C ATOM 638 CG PRO A 47 85.828 -0.206 6.925 1.00 0.00 C ATOM 639 CD PRO A 47 86.635 -0.329 5.667 1.00 0.00 C ATOM 0 HA PRO A 47 84.027 -2.135 4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.840 -0.855 7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.980 -2.161 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.460 0.812 7.054 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.434 -0.439 7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.109 0.616 5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.431 -1.066 5.772 1.00 0.00 H new ATOM 647 N ASP A 48 83.452 0.947 4.461 1.00 0.00 N ATOM 648 CA ASP A 48 82.335 1.916 4.221 1.00 0.00 C ATOM 649 C ASP A 48 81.820 1.862 2.778 1.00 0.00 C ATOM 650 O ASP A 48 81.310 2.841 2.269 1.00 0.00 O ATOM 651 CB ASP A 48 82.925 3.293 4.529 1.00 0.00 C ATOM 652 CG ASP A 48 83.083 3.465 6.044 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.340 2.832 6.779 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 83.941 4.235 6.444 1.00 0.00 O ATOM 0 H ASP A 48 84.374 1.258 4.154 1.00 0.00 H new ATOM 0 HA ASP A 48 81.475 1.680 4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 48 83.892 3.402 4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.277 4.074 4.131 1.00 0.00 H new ATOM 659 N ILE A 49 81.928 0.735 2.118 1.00 0.00 N ATOM 660 CA ILE A 49 81.418 0.644 0.713 1.00 0.00 C ATOM 661 C ILE A 49 80.327 -0.430 0.637 1.00 0.00 C ATOM 662 O ILE A 49 80.558 -1.579 0.963 1.00 0.00 O ATOM 663 CB ILE A 49 82.633 0.250 -0.128 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.728 1.318 0.007 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.231 0.117 -1.601 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.225 2.678 -0.482 1.00 0.00 C ATOM 0 H ILE A 49 82.344 -0.120 2.487 1.00 0.00 H new ATOM 0 HA ILE A 49 80.978 1.577 0.361 1.00 0.00 H new ATOM 0 HB ILE A 49 83.013 -0.707 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.041 1.394 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.605 1.021 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.103 -0.164 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.463 -0.650 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.841 1.070 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.018 3.419 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 49 82.935 2.603 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 49 82.363 2.982 0.112 1.00 0.00 H new ATOM 678 N ALA A 50 79.139 -0.066 0.218 1.00 0.00 N ATOM 679 CA ALA A 50 78.028 -1.066 0.130 1.00 0.00 C ATOM 680 C ALA A 50 78.211 -2.001 -1.061 1.00 0.00 C ATOM 681 O ALA A 50 78.005 -3.196 -0.945 1.00 0.00 O ATOM 682 CB ALA A 50 76.752 -0.235 -0.028 1.00 0.00 C ATOM 0 H ALA A 50 78.890 0.881 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 50 77.998 -1.705 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.891 -0.900 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.635 0.419 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.820 0.368 -0.933 1.00 0.00 H new ATOM 688 N GLY A 51 78.587 -1.481 -2.201 1.00 0.00 N ATOM 689 CA GLY A 51 78.769 -2.369 -3.382 1.00 0.00 C ATOM 690 C GLY A 51 78.817 -1.558 -4.681 1.00 0.00 C ATOM 691 O GLY A 51 79.515 -0.569 -4.796 1.00 0.00 O ATOM 0 H GLY A 51 78.773 -0.491 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.691 -2.940 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.952 -3.089 -3.429 1.00 0.00 H new ATOM 695 N TRP A 52 78.085 -2.003 -5.667 1.00 0.00 N ATOM 696 CA TRP A 52 78.053 -1.329 -7.005 1.00 0.00 C ATOM 697 C TRP A 52 77.779 0.182 -6.918 1.00 0.00 C ATOM 698 O TRP A 52 78.129 0.924 -7.822 1.00 0.00 O ATOM 699 CB TRP A 52 76.880 -1.989 -7.745 1.00 0.00 C ATOM 700 CG TRP A 52 76.899 -1.524 -9.168 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.687 -2.034 -10.140 1.00 0.00 C ATOM 702 CD2 TRP A 52 76.133 -0.448 -9.784 1.00 0.00 C ATOM 703 NE1 TRP A 52 77.456 -1.338 -11.315 1.00 0.00 N ATOM 704 CE2 TRP A 52 76.505 -0.351 -11.146 1.00 0.00 C ATOM 705 CE3 TRP A 52 75.161 0.443 -9.299 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.936 0.600 -11.994 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.584 1.401 -10.149 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.972 1.481 -11.494 1.00 0.00 C ATOM 0 H TRP A 52 77.490 -2.829 -5.602 1.00 0.00 H new ATOM 0 HA TRP A 52 79.020 -1.437 -7.496 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.965 -3.075 -7.699 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.935 -1.723 -7.272 1.00 0.00 H new ATOM 0 HD1 TRP A 52 78.383 -2.851 -10.020 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.930 -1.531 -12.197 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.855 0.391 -8.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 76.238 0.655 -13.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.837 2.080 -9.764 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.527 2.221 -12.142 1.00 0.00 H new ATOM 719 N ASP A 53 77.155 0.643 -5.858 1.00 0.00 N ATOM 720 CA ASP A 53 76.842 2.099 -5.737 1.00 0.00 C ATOM 721 C ASP A 53 76.976 2.558 -4.272 1.00 0.00 C ATOM 722 O ASP A 53 76.010 2.944 -3.643 1.00 0.00 O ATOM 723 CB ASP A 53 75.391 2.222 -6.216 1.00 0.00 C ATOM 724 CG ASP A 53 74.894 3.664 -6.049 1.00 0.00 C ATOM 725 OD1 ASP A 53 75.189 4.475 -6.913 1.00 0.00 O1- ATOM 726 OD2 ASP A 53 74.226 3.929 -5.064 1.00 0.00 O ATOM 0 H ASP A 53 76.850 0.070 -5.071 1.00 0.00 H new ATOM 0 HA ASP A 53 77.521 2.722 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.320 1.925 -7.262 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.755 1.543 -5.648 1.00 0.00 H new ATOM 731 N SER A 54 78.160 2.502 -3.732 1.00 0.00 N ATOM 732 CA SER A 54 78.380 2.910 -2.314 1.00 0.00 C ATOM 733 C SER A 54 78.458 4.439 -2.186 1.00 0.00 C ATOM 734 O SER A 54 79.018 5.094 -3.041 1.00 0.00 O ATOM 735 CB SER A 54 79.720 2.295 -1.937 1.00 0.00 C ATOM 736 OG SER A 54 79.663 0.890 -2.132 1.00 0.00 O ATOM 0 H SER A 54 78.999 2.186 -4.219 1.00 0.00 H new ATOM 0 HA SER A 54 77.565 2.580 -1.670 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.515 2.726 -2.545 1.00 0.00 H new ATOM 0 HB3 SER A 54 79.957 2.520 -0.897 1.00 0.00 H new ATOM 0 HG SER A 54 79.780 0.687 -3.083 1.00 0.00 H new ATOM 742 N PRO A 55 77.905 4.967 -1.114 1.00 0.00 N ATOM 743 CA PRO A 55 77.947 6.431 -0.902 1.00 0.00 C ATOM 744 C PRO A 55 79.336 6.879 -0.423 1.00 0.00 C ATOM 745 O PRO A 55 79.678 8.044 -0.503 1.00 0.00 O ATOM 746 CB PRO A 55 76.902 6.669 0.184 1.00 0.00 C ATOM 747 CG PRO A 55 76.800 5.376 0.928 1.00 0.00 C ATOM 748 CD PRO A 55 77.201 4.275 -0.020 1.00 0.00 C ATOM 0 HA PRO A 55 77.749 6.993 -1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.202 7.481 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 55 75.942 6.950 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.450 5.385 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 55 75.783 5.220 1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.847 3.546 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.331 3.732 -0.389 1.00 0.00 H new ATOM 756 N SER A 56 80.132 5.968 0.097 1.00 0.00 N ATOM 757 CA SER A 56 81.485 6.352 0.606 1.00 0.00 C ATOM 758 C SER A 56 82.593 6.055 -0.416 1.00 0.00 C ATOM 759 O SER A 56 83.763 6.151 -0.098 1.00 0.00 O ATOM 760 CB SER A 56 81.687 5.513 1.868 1.00 0.00 C ATOM 761 OG SER A 56 82.141 6.353 2.921 1.00 0.00 O ATOM 0 H SER A 56 79.900 4.979 0.189 1.00 0.00 H new ATOM 0 HA SER A 56 81.540 7.423 0.799 1.00 0.00 H new ATOM 0 HB2 SER A 56 80.752 5.029 2.151 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.412 4.721 1.680 1.00 0.00 H new ATOM 0 HG SER A 56 81.591 6.204 3.718 1.00 0.00 H new ATOM 767 N CYS A 57 82.252 5.710 -1.635 1.00 0.00 N ATOM 768 CA CYS A 57 83.318 5.439 -2.651 1.00 0.00 C ATOM 769 C CYS A 57 83.965 6.765 -3.051 1.00 0.00 C ATOM 770 O CYS A 57 83.350 7.811 -2.961 1.00 0.00 O ATOM 771 CB CYS A 57 82.608 4.818 -3.856 1.00 0.00 C ATOM 772 SG CYS A 57 83.598 3.447 -4.526 1.00 0.00 S ATOM 0 H CYS A 57 81.293 5.605 -1.968 1.00 0.00 H new ATOM 0 HA CYS A 57 84.094 4.776 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.623 4.456 -3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.452 5.574 -4.625 1.00 0.00 H new ATOM 777 N GLY A 58 85.193 6.732 -3.492 1.00 0.00 N ATOM 778 CA GLY A 58 85.869 7.999 -3.896 1.00 0.00 C ATOM 779 C GLY A 58 86.350 8.756 -2.651 1.00 0.00 C ATOM 780 O GLY A 58 86.769 9.895 -2.739 1.00 0.00 O ATOM 0 H GLY A 58 85.756 5.887 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 58 86.715 7.778 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.181 8.622 -4.468 1.00 0.00 H new ATOM 784 N THR A 59 86.299 8.134 -1.493 1.00 0.00 N ATOM 785 CA THR A 59 86.756 8.820 -0.254 1.00 0.00 C ATOM 786 C THR A 59 88.170 8.360 0.098 1.00 0.00 C ATOM 787 O THR A 59 88.521 7.205 -0.046 1.00 0.00 O ATOM 788 CB THR A 59 85.753 8.423 0.833 1.00 0.00 C ATOM 789 OG1 THR A 59 84.456 8.863 0.452 1.00 0.00 O ATOM 790 CG2 THR A 59 86.136 9.079 2.164 1.00 0.00 C ATOM 0 H THR A 59 85.960 7.181 -1.360 1.00 0.00 H new ATOM 0 HA THR A 59 86.795 9.903 -0.368 1.00 0.00 H new ATOM 0 HB THR A 59 85.761 7.340 0.952 1.00 0.00 H new ATOM 0 HG1 THR A 59 83.906 8.089 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.417 8.791 2.931 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.133 8.750 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.131 10.163 2.050 1.00 0.00 H new ATOM 798 N CYS A 60 88.979 9.278 0.532 1.00 0.00 N ATOM 799 CA CYS A 60 90.391 8.946 0.877 1.00 0.00 C ATOM 800 C CYS A 60 90.483 8.305 2.271 1.00 0.00 C ATOM 801 O CYS A 60 89.784 8.687 3.189 1.00 0.00 O ATOM 802 CB CYS A 60 91.115 10.300 0.844 1.00 0.00 C ATOM 803 SG CYS A 60 91.817 10.572 -0.793 1.00 0.00 S ATOM 0 H CYS A 60 88.723 10.256 0.665 1.00 0.00 H new ATOM 0 HA CYS A 60 90.828 8.223 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.419 11.102 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 60 91.903 10.320 1.597 1.00 0.00 H new ATOM 808 N TRP A 61 91.376 7.350 2.438 1.00 0.00 N ATOM 809 CA TRP A 61 91.564 6.697 3.778 1.00 0.00 C ATOM 810 C TRP A 61 93.046 6.337 3.981 1.00 0.00 C ATOM 811 O TRP A 61 93.676 5.782 3.103 1.00 0.00 O ATOM 812 CB TRP A 61 90.708 5.434 3.740 1.00 0.00 C ATOM 813 CG TRP A 61 89.283 5.796 3.998 1.00 0.00 C ATOM 814 CD1 TRP A 61 88.294 5.754 3.079 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.672 6.256 5.240 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.113 6.155 3.676 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.294 6.476 5.006 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.174 6.502 6.533 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.442 6.922 6.018 1.00 0.00 C ATOM 820 CZ3 TRP A 61 88.319 6.952 7.552 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.956 7.161 7.296 1.00 0.00 C ATOM 0 H TRP A 61 91.984 6.995 1.700 1.00 0.00 H new ATOM 0 HA TRP A 61 91.274 7.353 4.599 1.00 0.00 H new ATOM 0 HB2 TRP A 61 90.801 4.947 2.770 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.056 4.722 4.489 1.00 0.00 H new ATOM 0 HD1 TRP A 61 88.407 5.456 2.047 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.217 6.207 3.192 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.222 6.344 6.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.393 7.081 5.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.714 7.138 8.540 1.00 0.00 H new ATOM 0 HH2 TRP A 61 86.304 7.506 8.085 1.00 0.00 H new ATOM 832 N LYS A 62 93.605 6.642 5.131 1.00 0.00 N ATOM 833 CA LYS A 62 95.050 6.318 5.390 1.00 0.00 C ATOM 834 C LYS A 62 95.172 5.171 6.396 1.00 0.00 C ATOM 835 O LYS A 62 94.411 5.080 7.344 1.00 0.00 O ATOM 836 CB LYS A 62 95.645 7.605 5.970 1.00 0.00 C ATOM 837 CG LYS A 62 97.136 7.401 6.251 1.00 0.00 C ATOM 838 CD LYS A 62 97.728 8.686 6.830 1.00 0.00 C ATOM 839 CE LYS A 62 99.217 8.478 7.117 1.00 0.00 C ATOM 840 NZ LYS A 62 99.750 9.843 7.382 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.123 7.102 5.903 1.00 0.00 H new ATOM 0 HA LYS A 62 95.567 5.997 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.506 8.429 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.125 7.876 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.275 6.577 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.656 7.131 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.594 9.509 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.205 8.959 7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.366 7.822 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.722 8.014 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.768 9.784 7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.600 10.443 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 99.255 10.256 8.198 1.00 0.00 H new ATOM 854 N VAL A 63 96.122 4.291 6.185 1.00 0.00 N ATOM 855 CA VAL A 63 96.300 3.131 7.110 1.00 0.00 C ATOM 856 C VAL A 63 97.627 3.241 7.883 1.00 0.00 C ATOM 857 O VAL A 63 98.684 3.429 7.306 1.00 0.00 O ATOM 858 CB VAL A 63 96.301 1.897 6.197 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.478 0.623 7.033 1.00 0.00 C ATOM 860 CG2 VAL A 63 94.977 1.824 5.427 1.00 0.00 C ATOM 0 H VAL A 63 96.783 4.328 5.409 1.00 0.00 H new ATOM 0 HA VAL A 63 95.513 3.085 7.863 1.00 0.00 H new ATOM 0 HB VAL A 63 97.129 1.979 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.477 -0.247 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.424 0.670 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.658 0.539 7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 63 94.980 0.947 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.149 1.751 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 63 94.859 2.722 4.821 1.00 0.00 H new ATOM 870 N THR A 64 97.564 3.135 9.187 1.00 0.00 N ATOM 871 CA THR A 64 98.785 3.240 10.047 1.00 0.00 C ATOM 872 C THR A 64 98.984 1.944 10.849 1.00 0.00 C ATOM 873 O THR A 64 98.028 1.328 11.279 1.00 0.00 O ATOM 874 CB THR A 64 98.472 4.394 11.002 1.00 0.00 C ATOM 875 OG1 THR A 64 98.058 5.527 10.252 1.00 0.00 O ATOM 876 CG2 THR A 64 99.719 4.749 11.821 1.00 0.00 C ATOM 0 H THR A 64 96.699 2.977 9.703 1.00 0.00 H new ATOM 0 HA THR A 64 99.692 3.402 9.465 1.00 0.00 H new ATOM 0 HB THR A 64 97.674 4.092 11.681 1.00 0.00 H new ATOM 0 HG1 THR A 64 97.855 6.267 10.862 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.488 5.571 12.498 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.034 3.880 12.399 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.523 5.048 11.149 1.00 0.00 H new ATOM 884 N ILE A 65 100.213 1.522 11.052 1.00 0.00 N ATOM 885 CA ILE A 65 100.455 0.254 11.823 1.00 0.00 C ATOM 886 C ILE A 65 101.321 0.518 13.077 1.00 0.00 C ATOM 887 O ILE A 65 101.929 1.564 13.196 1.00 0.00 O ATOM 888 CB ILE A 65 101.160 -0.693 10.838 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.407 -0.016 10.254 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.201 -1.051 9.702 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.405 -1.087 9.811 1.00 0.00 C ATOM 0 H ILE A 65 101.053 1.996 10.721 1.00 0.00 H new ATOM 0 HA ILE A 65 99.526 -0.178 12.194 1.00 0.00 H new ATOM 0 HB ILE A 65 101.460 -1.597 11.368 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.131 0.612 9.407 1.00 0.00 H new ATOM 0 HG13 ILE A 65 102.863 0.636 10.999 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.700 -1.722 9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.319 -1.544 10.112 1.00 0.00 H new ATOM 0 HG23 ILE A 65 99.900 -0.143 9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.292 -0.608 9.396 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.690 -1.696 10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 65 102.946 -1.721 9.052 1.00 0.00 H new ATOM 903 N PRO A 66 101.327 -0.442 13.995 1.00 0.00 N ATOM 904 CA PRO A 66 102.099 -0.305 15.272 1.00 0.00 C ATOM 905 C PRO A 66 103.610 -0.153 15.048 1.00 0.00 C ATOM 906 O PRO A 66 104.302 0.425 15.866 1.00 0.00 O ATOM 907 CB PRO A 66 101.793 -1.612 16.011 1.00 0.00 C ATOM 908 CG PRO A 66 101.399 -2.566 14.939 1.00 0.00 C ATOM 909 CD PRO A 66 100.633 -1.746 13.943 1.00 0.00 C ATOM 0 HA PRO A 66 101.813 0.593 15.820 1.00 0.00 H new ATOM 0 HB2 PRO A 66 102.664 -1.970 16.560 1.00 0.00 H new ATOM 0 HB3 PRO A 66 100.991 -1.478 16.737 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.274 -3.026 14.480 1.00 0.00 H new ATOM 0 HG3 PRO A 66 100.786 -3.375 15.337 1.00 0.00 H new ATOM 0 HD2 PRO A 66 100.668 -2.184 12.945 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.581 -1.656 14.215 1.00 0.00 H new ATOM 917 N ASN A 67 104.127 -0.657 13.958 1.00 0.00 N ATOM 918 CA ASN A 67 105.599 -0.531 13.696 1.00 0.00 C ATOM 919 C ASN A 67 105.974 0.946 13.549 1.00 0.00 C ATOM 920 O ASN A 67 107.036 1.379 13.955 1.00 0.00 O ATOM 921 CB ASN A 67 105.840 -1.273 12.382 1.00 0.00 C ATOM 922 CG ASN A 67 107.345 -1.375 12.121 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.134 -1.392 13.045 1.00 0.00 O ATOM 924 ND2 ASN A 67 107.778 -1.442 10.892 1.00 0.00 N ATOM 0 H ASN A 67 103.599 -1.150 13.238 1.00 0.00 H new ATOM 0 HA ASN A 67 106.200 -0.942 14.508 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.400 -2.269 12.429 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.353 -0.748 11.561 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.779 -1.509 10.707 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.116 -1.428 10.116 1.00 0.00 H new ATOM 931 N GLY A 68 105.093 1.708 12.967 1.00 0.00 N ATOM 932 CA GLY A 68 105.356 3.162 12.776 1.00 0.00 C ATOM 933 C GLY A 68 105.510 3.453 11.287 1.00 0.00 C ATOM 934 O GLY A 68 106.553 3.881 10.830 1.00 0.00 O ATOM 0 H GLY A 68 104.193 1.384 12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.537 3.749 13.191 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.260 3.454 13.311 1.00 0.00 H new ATOM 938 N ASN A 69 104.469 3.233 10.533 1.00 0.00 N ATOM 939 CA ASN A 69 104.521 3.501 9.070 1.00 0.00 C ATOM 940 C ASN A 69 103.101 3.533 8.515 1.00 0.00 C ATOM 941 O ASN A 69 102.191 2.979 9.105 1.00 0.00 O ATOM 942 CB ASN A 69 105.311 2.335 8.472 1.00 0.00 C ATOM 943 CG ASN A 69 105.772 2.697 7.057 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.229 3.589 6.435 1.00 0.00 O ATOM 945 ND2 ASN A 69 106.758 2.035 6.517 1.00 0.00 N ATOM 0 H ASN A 69 103.576 2.875 10.872 1.00 0.00 H new ATOM 0 HA ASN A 69 104.988 4.457 8.833 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.173 2.108 9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.691 1.439 8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 69 107.072 2.266 5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 69 107.215 1.286 7.037 1.00 0.00 H new ATOM 952 N SER A 70 102.897 4.180 7.400 1.00 0.00 N ATOM 953 CA SER A 70 101.525 4.248 6.822 1.00 0.00 C ATOM 954 C SER A 70 101.564 4.467 5.310 1.00 0.00 C ATOM 955 O SER A 70 102.535 4.939 4.752 1.00 0.00 O ATOM 956 CB SER A 70 100.860 5.434 7.520 1.00 0.00 C ATOM 957 OG SER A 70 101.627 6.607 7.288 1.00 0.00 O ATOM 0 H SER A 70 103.619 4.663 6.866 1.00 0.00 H new ATOM 0 HA SER A 70 100.980 3.317 6.976 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.846 5.569 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.781 5.243 8.590 1.00 0.00 H new ATOM 0 HG SER A 70 101.528 7.218 8.048 1.00 0.00 H new ATOM 963 N ILE A 71 100.485 4.139 4.660 1.00 0.00 N ATOM 964 CA ILE A 71 100.368 4.320 3.185 1.00 0.00 C ATOM 965 C ILE A 71 99.023 4.967 2.921 1.00 0.00 C ATOM 966 O ILE A 71 98.178 4.985 3.801 1.00 0.00 O ATOM 967 CB ILE A 71 100.414 2.919 2.558 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.398 1.996 3.237 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.817 2.334 2.701 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.231 0.723 2.405 1.00 0.00 C ATOM 0 H ILE A 71 99.655 3.742 5.101 1.00 0.00 H new ATOM 0 HA ILE A 71 101.163 4.939 2.770 1.00 0.00 H new ATOM 0 HB ILE A 71 100.162 3.001 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.734 1.744 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.440 2.505 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.844 1.340 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.534 2.979 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 71 102.076 2.264 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.508 0.065 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 71 98.876 0.984 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.190 0.212 2.326 1.00 0.00 H new ATOM 982 N PHE A 72 98.799 5.514 1.754 1.00 0.00 N ATOM 983 CA PHE A 72 97.478 6.166 1.520 1.00 0.00 C ATOM 984 C PHE A 72 96.598 5.263 0.655 1.00 0.00 C ATOM 985 O PHE A 72 96.993 4.837 -0.411 1.00 0.00 O ATOM 986 CB PHE A 72 97.775 7.488 0.792 1.00 0.00 C ATOM 987 CG PHE A 72 98.850 8.285 1.514 1.00 0.00 C ATOM 988 CD1 PHE A 72 98.859 8.377 2.914 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.839 8.936 0.767 1.00 0.00 C ATOM 990 CE1 PHE A 72 99.858 9.117 3.560 1.00 0.00 C ATOM 991 CE2 PHE A 72 100.836 9.674 1.413 1.00 0.00 C ATOM 992 CZ PHE A 72 100.845 9.765 2.809 1.00 0.00 C ATOM 0 H PHE A 72 99.454 5.538 0.973 1.00 0.00 H new ATOM 0 HA PHE A 72 96.945 6.344 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 72 98.097 7.280 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.863 8.081 0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 72 98.096 7.878 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.832 8.868 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 72 99.866 9.187 4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 72 101.599 10.174 0.834 1.00 0.00 H new ATOM 0 HZ PHE A 72 101.614 10.336 3.308 1.00 0.00 H new ATOM 1002 N ILE A 73 95.420 4.946 1.126 1.00 0.00 N ATOM 1003 CA ILE A 73 94.517 4.045 0.349 1.00 0.00 C ATOM 1004 C ILE A 73 93.213 4.773 0.019 1.00 0.00 C ATOM 1005 O ILE A 73 92.523 5.239 0.908 1.00 0.00 O ATOM 1006 CB ILE A 73 94.243 2.858 1.283 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.562 2.154 1.644 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.304 1.859 0.594 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.261 1.635 0.381 1.00 0.00 C ATOM 0 H ILE A 73 95.044 5.272 2.016 1.00 0.00 H new ATOM 0 HA ILE A 73 94.958 3.728 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 73 93.773 3.229 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.218 2.847 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.364 1.325 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.113 1.019 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.362 2.352 0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.769 1.496 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.192 1.140 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.610 0.925 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.478 2.471 -0.284 1.00 0.00 H new ATOM 1021 N ARG A 74 92.860 4.868 -1.238 1.00 0.00 N ATOM 1022 CA ARG A 74 91.590 5.558 -1.599 1.00 0.00 C ATOM 1023 C ARG A 74 90.477 4.513 -1.703 1.00 0.00 C ATOM 1024 O ARG A 74 90.652 3.462 -2.291 1.00 0.00 O ATOM 1025 CB ARG A 74 91.860 6.229 -2.952 1.00 0.00 C ATOM 1026 CG ARG A 74 91.572 7.728 -2.877 1.00 0.00 C ATOM 1027 CD ARG A 74 91.103 8.207 -4.258 1.00 0.00 C ATOM 1028 NE ARG A 74 89.609 8.137 -4.218 1.00 0.00 N ATOM 1029 CZ ARG A 74 88.999 6.991 -4.049 1.00 0.00 C ATOM 1030 NH1 ARG A 74 88.995 6.094 -4.997 1.00 0.00 N ATOM 1031 NH2 ARG A 74 88.399 6.746 -2.920 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.395 4.499 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 74 91.276 6.297 -0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.898 6.067 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.238 5.772 -3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 74 90.807 7.929 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 74 92.467 8.270 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.443 9.223 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 74 91.505 7.575 -5.050 1.00 0.00 H new ATOM 0 HE ARG A 74 89.060 8.990 -4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 74 89.470 6.283 -5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 74 88.517 5.204 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.407 7.444 -2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 74 87.921 5.856 -2.779 1.00 0.00 H new ATOM 1045 N GLY A 75 89.339 4.788 -1.113 1.00 0.00 N ATOM 1046 CA GLY A 75 88.206 3.812 -1.143 1.00 0.00 C ATOM 1047 C GLY A 75 87.871 3.431 -2.584 1.00 0.00 C ATOM 1048 O GLY A 75 87.955 4.241 -3.488 1.00 0.00 O ATOM 0 H GLY A 75 89.146 5.653 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.471 2.920 -0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.330 4.247 -0.662 1.00 0.00 H new ATOM 1052 N VAL A 76 87.489 2.205 -2.795 1.00 0.00 N ATOM 1053 CA VAL A 76 87.140 1.736 -4.168 1.00 0.00 C ATOM 1054 C VAL A 76 86.448 0.356 -4.126 1.00 0.00 C ATOM 1055 O VAL A 76 85.654 0.043 -4.986 1.00 0.00 O ATOM 1056 CB VAL A 76 88.478 1.671 -4.927 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.428 0.646 -4.291 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.214 1.283 -6.386 1.00 0.00 C ATOM 0 H VAL A 76 87.402 1.496 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 76 86.434 2.406 -4.658 1.00 0.00 H new ATOM 0 HB VAL A 76 88.950 2.652 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.364 0.623 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.628 0.928 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.967 -0.341 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.159 1.236 -6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.727 0.308 -6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.568 2.028 -6.849 1.00 0.00 H new ATOM 1068 N ASP A 77 86.724 -0.463 -3.138 1.00 0.00 N ATOM 1069 CA ASP A 77 86.087 -1.814 -3.040 1.00 0.00 C ATOM 1070 C ASP A 77 85.422 -1.988 -1.674 1.00 0.00 C ATOM 1071 O ASP A 77 85.597 -1.182 -0.781 1.00 0.00 O ATOM 1072 CB ASP A 77 87.246 -2.795 -3.173 1.00 0.00 C ATOM 1073 CG ASP A 77 87.626 -2.940 -4.644 1.00 0.00 C ATOM 1074 OD1 ASP A 77 86.972 -3.707 -5.330 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 88.572 -2.291 -5.058 1.00 0.00 O ATOM 0 H ASP A 77 87.375 -0.247 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 77 85.318 -1.963 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.102 -2.442 -2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 77 86.964 -3.765 -2.762 1.00 0.00 H new ATOM 1080 N SER A 78 84.654 -3.036 -1.514 1.00 0.00 N ATOM 1081 CA SER A 78 83.964 -3.278 -0.210 1.00 0.00 C ATOM 1082 C SER A 78 84.703 -4.342 0.603 1.00 0.00 C ATOM 1083 O SER A 78 85.359 -5.209 0.058 1.00 0.00 O ATOM 1084 CB SER A 78 82.567 -3.767 -0.588 1.00 0.00 C ATOM 1085 OG SER A 78 81.824 -4.027 0.596 1.00 0.00 O ATOM 0 H SER A 78 84.474 -3.737 -2.233 1.00 0.00 H new ATOM 0 HA SER A 78 83.932 -2.381 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.058 -3.017 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.637 -4.671 -1.193 1.00 0.00 H new ATOM 0 HG SER A 78 81.331 -3.221 0.856 1.00 0.00 H new ATOM 1091 N GLY A 79 84.601 -4.273 1.908 1.00 0.00 N ATOM 1092 CA GLY A 79 85.294 -5.272 2.770 1.00 0.00 C ATOM 1093 C GLY A 79 84.341 -5.785 3.849 1.00 0.00 C ATOM 1094 O GLY A 79 83.534 -5.049 4.385 1.00 0.00 O ATOM 0 H GLY A 79 84.066 -3.565 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.649 -6.104 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.170 -4.819 3.233 1.00 0.00 H new ATOM 1098 N ARG A 80 84.457 -7.040 4.187 1.00 0.00 N ATOM 1099 CA ARG A 80 83.594 -7.629 5.257 1.00 0.00 C ATOM 1100 C ARG A 80 83.833 -6.898 6.585 1.00 0.00 C ATOM 1101 O ARG A 80 82.946 -6.771 7.407 1.00 0.00 O ATOM 1102 CB ARG A 80 84.044 -9.087 5.377 1.00 0.00 C ATOM 1103 CG ARG A 80 83.619 -9.868 4.131 1.00 0.00 C ATOM 1104 CD ARG A 80 84.077 -11.323 4.267 1.00 0.00 C ATOM 1105 NE ARG A 80 83.802 -11.953 2.943 1.00 0.00 N ATOM 1106 CZ ARG A 80 84.226 -13.165 2.701 1.00 0.00 C ATOM 1107 NH1 ARG A 80 85.443 -13.356 2.269 1.00 0.00 N ATOM 1108 NH2 ARG A 80 83.434 -14.184 2.892 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.119 -7.691 3.765 1.00 0.00 H new ATOM 0 HA ARG A 80 82.533 -7.544 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.127 -9.134 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.607 -9.539 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.536 -9.825 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.056 -9.419 3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.137 -11.379 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.535 -11.832 5.064 1.00 0.00 H new ATOM 0 HE ARG A 80 83.285 -11.440 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 80 86.062 -12.559 2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 80 85.774 -14.302 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 80 82.483 -14.035 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 80 83.765 -15.130 2.703 1.00 0.00 H new ATOM 1122 N GLY A 81 85.035 -6.423 6.789 1.00 0.00 N ATOM 1123 CA GLY A 81 85.361 -5.700 8.056 1.00 0.00 C ATOM 1124 C GLY A 81 86.867 -5.439 8.124 1.00 0.00 C ATOM 1125 O GLY A 81 87.600 -6.152 8.782 1.00 0.00 O ATOM 0 H GLY A 81 85.809 -6.505 6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 81 84.816 -4.757 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.045 -6.291 8.916 1.00 0.00 H new ATOM 1129 N GLY A 82 87.325 -4.416 7.451 1.00 0.00 N ATOM 1130 CA GLY A 82 88.781 -4.096 7.474 1.00 0.00 C ATOM 1131 C GLY A 82 89.181 -3.420 6.164 1.00 0.00 C ATOM 1132 O GLY A 82 88.356 -3.169 5.305 1.00 0.00 O ATOM 0 H GLY A 82 86.752 -3.789 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.006 -3.441 8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.361 -5.008 7.616 1.00 0.00 H new ATOM 1136 N PHE A 83 90.444 -3.130 6.001 1.00 0.00 N ATOM 1137 CA PHE A 83 90.929 -2.477 4.751 1.00 0.00 C ATOM 1138 C PHE A 83 91.827 -3.445 3.983 1.00 0.00 C ATOM 1139 O PHE A 83 92.732 -4.036 4.541 1.00 0.00 O ATOM 1140 CB PHE A 83 91.748 -1.279 5.234 1.00 0.00 C ATOM 1141 CG PHE A 83 90.847 -0.307 5.955 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.433 -0.577 7.266 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.424 0.864 5.315 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.598 0.324 7.936 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.589 1.766 5.987 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.176 1.496 7.297 1.00 0.00 C ATOM 0 H PHE A 83 91.170 -3.321 6.691 1.00 0.00 H new ATOM 0 HA PHE A 83 90.116 -2.183 4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.544 -1.614 5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.226 -0.787 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.758 -1.481 7.760 1.00 0.00 H new ATOM 0 HD2 PHE A 83 90.741 1.072 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.279 0.115 8.946 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.264 2.670 5.494 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.532 2.192 7.815 1.00 0.00 H new ATOM 1156 N ASN A 84 91.585 -3.608 2.706 1.00 0.00 N ATOM 1157 CA ASN A 84 92.433 -4.537 1.901 1.00 0.00 C ATOM 1158 C ASN A 84 93.084 -3.747 0.765 1.00 0.00 C ATOM 1159 O ASN A 84 92.419 -2.994 0.089 1.00 0.00 O ATOM 1160 CB ASN A 84 91.460 -5.586 1.363 1.00 0.00 C ATOM 1161 CG ASN A 84 92.243 -6.755 0.765 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.230 -6.558 0.083 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.843 -7.976 1.000 1.00 0.00 N ATOM 0 H ASN A 84 90.840 -3.140 2.189 1.00 0.00 H new ATOM 0 HA ASN A 84 93.235 -5.003 2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.813 -5.941 2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.814 -5.142 0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.359 -8.765 0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.015 -8.140 1.572 1.00 0.00 H new ATOM 1170 N VAL A 85 94.372 -3.873 0.571 1.00 0.00 N ATOM 1171 CA VAL A 85 95.034 -3.070 -0.507 1.00 0.00 C ATOM 1172 C VAL A 85 95.911 -3.933 -1.417 1.00 0.00 C ATOM 1173 O VAL A 85 96.142 -5.100 -1.161 1.00 0.00 O ATOM 1174 CB VAL A 85 95.901 -2.051 0.244 1.00 0.00 C ATOM 1175 CG1 VAL A 85 95.006 -1.158 1.108 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.919 -2.782 1.139 1.00 0.00 C ATOM 0 H VAL A 85 94.989 -4.487 1.103 1.00 0.00 H new ATOM 0 HA VAL A 85 94.294 -2.607 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 85 96.440 -1.438 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.621 -0.434 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.295 -0.631 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.464 -1.773 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.530 -2.050 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.389 -3.402 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.560 -3.411 0.522 1.00 0.00 H new ATOM 1186 N ASN A 86 96.400 -3.355 -2.487 1.00 0.00 N ATOM 1187 CA ASN A 86 97.273 -4.120 -3.433 1.00 0.00 C ATOM 1188 C ASN A 86 98.453 -4.756 -2.676 1.00 0.00 C ATOM 1189 O ASN A 86 98.836 -4.273 -1.630 1.00 0.00 O ATOM 1190 CB ASN A 86 97.810 -3.074 -4.416 1.00 0.00 C ATOM 1191 CG ASN A 86 96.711 -2.641 -5.387 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.547 -2.917 -5.177 1.00 0.00 O ATOM 1193 ND2 ASN A 86 97.040 -1.961 -6.452 1.00 0.00 N ATOM 0 H ASN A 86 96.232 -2.383 -2.747 1.00 0.00 H new ATOM 0 HA ASN A 86 96.725 -4.921 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.182 -2.208 -3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.653 -3.486 -4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.319 -1.661 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 86 98.018 -1.730 -6.627 1.00 0.00 H new ATOM 1200 N PRO A 87 99.002 -5.814 -3.228 1.00 0.00 N ATOM 1201 CA PRO A 87 100.154 -6.487 -2.577 1.00 0.00 C ATOM 1202 C PRO A 87 101.401 -5.600 -2.629 1.00 0.00 C ATOM 1203 O PRO A 87 102.326 -5.797 -1.865 1.00 0.00 O ATOM 1204 CB PRO A 87 100.343 -7.764 -3.390 1.00 0.00 C ATOM 1205 CG PRO A 87 99.751 -7.454 -4.728 1.00 0.00 C ATOM 1206 CD PRO A 87 98.628 -6.477 -4.490 1.00 0.00 C ATOM 0 HA PRO A 87 99.983 -6.693 -1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.397 -8.027 -3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 87 99.840 -8.610 -2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.501 -7.026 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.380 -8.361 -5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.540 -5.761 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.667 -6.984 -4.406 1.00 0.00 H new ATOM 1214 N THR A 88 101.436 -4.612 -3.490 1.00 0.00 N ATOM 1215 CA THR A 88 102.626 -3.710 -3.542 1.00 0.00 C ATOM 1216 C THR A 88 102.516 -2.666 -2.427 1.00 0.00 C ATOM 1217 O THR A 88 103.490 -2.339 -1.778 1.00 0.00 O ATOM 1218 CB THR A 88 102.587 -3.052 -4.914 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.497 -4.056 -5.916 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.854 -2.223 -5.128 1.00 0.00 C ATOM 0 H THR A 88 100.695 -4.393 -4.156 1.00 0.00 H new ATOM 0 HA THR A 88 103.564 -4.246 -3.397 1.00 0.00 H new ATOM 0 HB THR A 88 101.718 -2.397 -4.976 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.470 -3.634 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.820 -1.754 -6.112 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.918 -1.452 -4.361 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.728 -2.871 -5.065 1.00 0.00 H new ATOM 1228 N ALA A 89 101.334 -2.160 -2.190 1.00 0.00 N ATOM 1229 CA ALA A 89 101.155 -1.153 -1.100 1.00 0.00 C ATOM 1230 C ALA A 89 101.391 -1.832 0.250 1.00 0.00 C ATOM 1231 O ALA A 89 101.987 -1.261 1.145 1.00 0.00 O ATOM 1232 CB ALA A 89 99.705 -0.661 -1.222 1.00 0.00 C ATOM 0 H ALA A 89 100.485 -2.399 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 89 101.854 -0.321 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.507 0.082 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.554 -0.213 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 89 99.024 -1.503 -1.099 1.00 0.00 H new ATOM 1238 N PHE A 90 100.935 -3.046 0.397 1.00 0.00 N ATOM 1239 CA PHE A 90 101.136 -3.779 1.690 1.00 0.00 C ATOM 1240 C PHE A 90 102.631 -3.932 2.002 1.00 0.00 C ATOM 1241 O PHE A 90 103.079 -3.651 3.096 1.00 0.00 O ATOM 1242 CB PHE A 90 100.515 -5.159 1.461 1.00 0.00 C ATOM 1243 CG PHE A 90 100.440 -5.899 2.775 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.586 -6.490 3.317 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.220 -5.989 3.456 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.512 -7.172 4.538 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.146 -6.672 4.676 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.294 -7.263 5.217 1.00 0.00 C ATOM 0 H PHE A 90 100.431 -3.567 -0.321 1.00 0.00 H new ATOM 0 HA PHE A 90 100.686 -3.247 2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.518 -5.055 1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.112 -5.725 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.528 -6.420 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.335 -5.531 3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.397 -7.628 4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.204 -6.743 5.199 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.238 -7.789 6.159 1.00 0.00 H new ATOM 1258 N THR A 91 103.393 -4.403 1.051 1.00 0.00 N ATOM 1259 CA THR A 91 104.859 -4.618 1.276 1.00 0.00 C ATOM 1260 C THR A 91 105.560 -3.304 1.642 1.00 0.00 C ATOM 1261 O THR A 91 106.450 -3.279 2.457 1.00 0.00 O ATOM 1262 CB THR A 91 105.394 -5.163 -0.054 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.725 -6.377 -0.359 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.897 -5.440 0.057 1.00 0.00 C ATOM 0 H THR A 91 103.063 -4.651 0.118 1.00 0.00 H new ATOM 0 HA THR A 91 105.042 -5.303 2.104 1.00 0.00 H new ATOM 0 HB THR A 91 105.220 -4.426 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.902 -6.182 -0.854 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.267 -5.827 -0.893 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.420 -4.515 0.301 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.074 -6.175 0.842 1.00 0.00 H new ATOM 1272 N LYS A 92 105.174 -2.228 1.017 1.00 0.00 N ATOM 1273 CA LYS A 92 105.832 -0.913 1.313 1.00 0.00 C ATOM 1274 C LYS A 92 105.575 -0.467 2.756 1.00 0.00 C ATOM 1275 O LYS A 92 106.445 0.079 3.409 1.00 0.00 O ATOM 1276 CB LYS A 92 105.198 0.083 0.347 1.00 0.00 C ATOM 1277 CG LYS A 92 105.661 -0.211 -1.079 1.00 0.00 C ATOM 1278 CD LYS A 92 105.017 0.796 -2.036 1.00 0.00 C ATOM 1279 CE LYS A 92 105.474 0.509 -3.467 1.00 0.00 C ATOM 1280 NZ LYS A 92 104.354 0.981 -4.329 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.434 -2.196 0.315 1.00 0.00 H new ATOM 0 HA LYS A 92 106.913 -0.984 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.111 0.020 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.474 1.100 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.747 -0.147 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.385 -1.227 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 92 103.931 0.732 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.294 1.811 -1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.400 1.035 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.666 -0.554 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 104.539 0.712 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.464 0.546 -4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 104.276 2.016 -4.261 1.00 0.00 H new ATOM 1294 N LEU A 93 104.381 -0.670 3.241 1.00 0.00 N ATOM 1295 CA LEU A 93 104.049 -0.230 4.634 1.00 0.00 C ATOM 1296 C LEU A 93 104.787 -1.066 5.690 1.00 0.00 C ATOM 1297 O LEU A 93 105.266 -0.539 6.676 1.00 0.00 O ATOM 1298 CB LEU A 93 102.528 -0.417 4.741 1.00 0.00 C ATOM 1299 CG LEU A 93 102.038 -0.121 6.163 1.00 0.00 C ATOM 1300 CD1 LEU A 93 102.354 1.327 6.535 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.526 -0.345 6.232 1.00 0.00 C ATOM 0 H LEU A 93 103.618 -1.121 2.736 1.00 0.00 H new ATOM 0 HA LEU A 93 104.358 0.799 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 93 102.026 0.244 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 93 102.263 -1.438 4.466 1.00 0.00 H new ATOM 0 HG LEU A 93 102.543 -0.787 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 93 102.002 1.528 7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 93 103.431 1.488 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.855 1.999 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.173 -0.136 7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 93 100.027 0.321 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.299 -1.380 5.976 1.00 0.00 H new ATOM 1313 N VAL A 94 104.854 -2.357 5.513 1.00 0.00 N ATOM 1314 CA VAL A 94 105.532 -3.227 6.537 1.00 0.00 C ATOM 1315 C VAL A 94 106.959 -3.608 6.112 1.00 0.00 C ATOM 1316 O VAL A 94 107.708 -4.184 6.879 1.00 0.00 O ATOM 1317 CB VAL A 94 104.666 -4.489 6.602 1.00 0.00 C ATOM 1318 CG1 VAL A 94 105.219 -5.443 7.667 1.00 0.00 C ATOM 1319 CG2 VAL A 94 103.217 -4.120 6.952 1.00 0.00 C ATOM 0 H VAL A 94 104.472 -2.853 4.708 1.00 0.00 H new ATOM 0 HA VAL A 94 105.623 -2.711 7.493 1.00 0.00 H new ATOM 0 HB VAL A 94 104.685 -4.978 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 94 104.600 -6.339 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 94 106.242 -5.720 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 94 105.209 -4.949 8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.611 -5.025 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 94 103.193 -3.620 7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.817 -3.452 6.189 1.00 0.00 H new ATOM 1329 N GLY A 95 107.321 -3.326 4.894 1.00 0.00 N ATOM 1330 CA GLY A 95 108.675 -3.701 4.390 1.00 0.00 C ATOM 1331 C GLY A 95 108.547 -4.989 3.567 1.00 0.00 C ATOM 1332 O GLY A 95 109.295 -5.222 2.637 1.00 0.00 O ATOM 0 H GLY A 95 106.731 -2.845 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 95 109.087 -2.899 3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 95 109.362 -3.850 5.223 1.00 0.00 H new ATOM 1336 N SER A 96 107.585 -5.812 3.900 1.00 0.00 N ATOM 1337 CA SER A 96 107.358 -7.077 3.151 1.00 0.00 C ATOM 1338 C SER A 96 105.895 -7.491 3.335 1.00 0.00 C ATOM 1339 O SER A 96 105.244 -7.050 4.266 1.00 0.00 O ATOM 1340 CB SER A 96 108.298 -8.098 3.790 1.00 0.00 C ATOM 1341 OG SER A 96 107.903 -8.321 5.138 1.00 0.00 O ATOM 0 H SER A 96 106.939 -5.654 4.673 1.00 0.00 H new ATOM 0 HA SER A 96 107.550 -6.987 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.271 -9.034 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 96 109.325 -7.735 3.755 1.00 0.00 H new ATOM 0 HG SER A 96 108.503 -8.977 5.550 1.00 0.00 H new ATOM 1347 N THR A 97 105.365 -8.323 2.472 1.00 0.00 N ATOM 1348 CA THR A 97 103.932 -8.739 2.632 1.00 0.00 C ATOM 1349 C THR A 97 103.829 -10.201 3.076 1.00 0.00 C ATOM 1350 O THR A 97 102.831 -10.859 2.850 1.00 0.00 O ATOM 1351 CB THR A 97 103.253 -8.524 1.271 1.00 0.00 C ATOM 1352 OG1 THR A 97 101.945 -9.076 1.310 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.051 -9.202 0.161 1.00 0.00 C ATOM 0 H THR A 97 105.853 -8.729 1.673 1.00 0.00 H new ATOM 0 HA THR A 97 103.442 -8.148 3.405 1.00 0.00 H new ATOM 0 HB THR A 97 103.205 -7.454 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 97 101.961 -9.921 1.806 1.00 0.00 H new ATOM 0 HG21 THR A 97 103.555 -9.039 -0.796 1.00 0.00 H new ATOM 0 HG22 THR A 97 105.055 -8.780 0.125 1.00 0.00 H new ATOM 0 HG23 THR A 97 104.114 -10.272 0.359 1.00 0.00 H new ATOM 1361 N GLU A 98 104.852 -10.707 3.711 1.00 0.00 N ATOM 1362 CA GLU A 98 104.831 -12.125 4.184 1.00 0.00 C ATOM 1363 C GLU A 98 103.914 -12.286 5.406 1.00 0.00 C ATOM 1364 O GLU A 98 103.460 -13.376 5.702 1.00 0.00 O ATOM 1365 CB GLU A 98 106.279 -12.441 4.558 1.00 0.00 C ATOM 1366 CG GLU A 98 106.389 -13.899 5.020 1.00 0.00 C ATOM 1367 CD GLU A 98 107.843 -14.237 5.379 1.00 0.00 C ATOM 1368 OE1 GLU A 98 108.720 -13.436 5.085 1.00 0.00 O1- ATOM 1369 OE2 GLU A 98 108.058 -15.300 5.938 1.00 0.00 O ATOM 0 H GLU A 98 105.709 -10.196 3.925 1.00 0.00 H new ATOM 0 HA GLU A 98 104.446 -12.799 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.931 -12.271 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.614 -11.772 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 98 105.746 -14.063 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 98 106.038 -14.565 4.232 1.00 0.00 H new ATOM 1376 N ALA A 99 103.665 -11.223 6.132 1.00 0.00 N ATOM 1377 CA ALA A 99 102.804 -11.336 7.354 1.00 0.00 C ATOM 1378 C ALA A 99 101.406 -11.845 6.994 1.00 0.00 C ATOM 1379 O ALA A 99 100.869 -12.714 7.655 1.00 0.00 O ATOM 1380 CB ALA A 99 102.727 -9.920 7.927 1.00 0.00 C ATOM 0 H ALA A 99 104.018 -10.287 5.934 1.00 0.00 H new ATOM 0 HA ALA A 99 103.217 -12.046 8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.111 -9.924 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.730 -9.573 8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.285 -9.252 7.188 1.00 0.00 H new ATOM 1386 N GLY A 100 100.816 -11.317 5.953 1.00 0.00 N ATOM 1387 CA GLY A 100 99.455 -11.777 5.551 1.00 0.00 C ATOM 1388 C GLY A 100 98.399 -10.785 6.047 1.00 0.00 C ATOM 1389 O GLY A 100 97.762 -10.108 5.265 1.00 0.00 O ATOM 0 H GLY A 100 101.218 -10.587 5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.399 -11.869 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.259 -12.766 5.965 1.00 0.00 H new ATOM 1393 N ARG A 101 98.209 -10.701 7.341 1.00 0.00 N ATOM 1394 CA ARG A 101 97.189 -9.760 7.892 1.00 0.00 C ATOM 1395 C ARG A 101 97.715 -9.088 9.163 1.00 0.00 C ATOM 1396 O ARG A 101 98.275 -9.739 10.026 1.00 0.00 O ATOM 1397 CB ARG A 101 95.984 -10.635 8.215 1.00 0.00 C ATOM 1398 CG ARG A 101 94.789 -9.748 8.553 1.00 0.00 C ATOM 1399 CD ARG A 101 93.625 -10.620 9.020 1.00 0.00 C ATOM 1400 NE ARG A 101 93.188 -11.383 7.816 1.00 0.00 N ATOM 1401 CZ ARG A 101 92.275 -12.309 7.933 1.00 0.00 C ATOM 1402 NH1 ARG A 101 92.563 -13.439 8.518 1.00 0.00 N ATOM 1403 NH2 ARG A 101 91.072 -12.101 7.469 1.00 0.00 N1+ ATOM 0 H ARG A 101 98.717 -11.244 8.039 1.00 0.00 H new ATOM 0 HA ARG A 101 96.943 -8.963 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.747 -11.275 7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.212 -11.292 9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 101 95.060 -9.036 9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.495 -9.167 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.935 -11.293 9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 101 92.812 -10.010 9.414 1.00 0.00 H new ATOM 0 HE ARG A 101 93.600 -11.182 6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 101 93.501 -13.599 8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 101 91.850 -14.162 8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 101 90.846 -11.216 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 101 90.358 -12.824 7.560 1.00 0.00 H new ATOM 1417 N VAL A 102 97.530 -7.797 9.294 1.00 0.00 N ATOM 1418 CA VAL A 102 98.014 -7.092 10.522 1.00 0.00 C ATOM 1419 C VAL A 102 96.838 -6.444 11.256 1.00 0.00 C ATOM 1420 O VAL A 102 96.137 -5.608 10.719 1.00 0.00 O ATOM 1421 CB VAL A 102 99.000 -6.031 10.018 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.554 -5.232 11.201 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.159 -6.719 9.294 1.00 0.00 C ATOM 0 H VAL A 102 97.067 -7.203 8.607 1.00 0.00 H new ATOM 0 HA VAL A 102 98.488 -7.772 11.229 1.00 0.00 H new ATOM 0 HB VAL A 102 98.482 -5.357 9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.254 -4.480 10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.734 -4.741 11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.069 -5.906 11.886 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.861 -5.967 8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.669 -7.393 9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.773 -7.288 8.448 1.00 0.00 H new ATOM 1433 N ASP A 103 96.619 -6.844 12.479 1.00 0.00 N ATOM 1434 CA ASP A 103 95.487 -6.284 13.270 1.00 0.00 C ATOM 1435 C ASP A 103 95.907 -5.015 14.014 1.00 0.00 C ATOM 1436 O ASP A 103 97.058 -4.622 14.003 1.00 0.00 O ATOM 1437 CB ASP A 103 95.099 -7.397 14.253 1.00 0.00 C ATOM 1438 CG ASP A 103 96.260 -7.705 15.210 1.00 0.00 C ATOM 1439 OD1 ASP A 103 97.398 -7.474 14.835 1.00 0.00 O ATOM 1440 OD2 ASP A 103 95.986 -8.165 16.306 1.00 0.00 O1- ATOM 0 H ASP A 103 97.181 -7.541 12.968 1.00 0.00 H new ATOM 0 HA ASP A 103 94.652 -5.994 12.633 1.00 0.00 H new ATOM 0 HB2 ASP A 103 94.221 -7.095 14.824 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.827 -8.297 13.702 1.00 0.00 H new ATOM 1445 N ASN A 104 94.968 -4.376 14.665 1.00 0.00 N ATOM 1446 CA ASN A 104 95.267 -3.123 15.433 1.00 0.00 C ATOM 1447 C ASN A 104 95.823 -2.036 14.511 1.00 0.00 C ATOM 1448 O ASN A 104 96.747 -1.326 14.861 1.00 0.00 O ATOM 1449 CB ASN A 104 96.307 -3.511 16.491 1.00 0.00 C ATOM 1450 CG ASN A 104 96.419 -2.393 17.528 1.00 0.00 C ATOM 1451 OD1 ASN A 104 95.437 -2.000 18.125 1.00 0.00 O ATOM 1452 ND2 ASN A 104 97.585 -1.857 17.769 1.00 0.00 N ATOM 0 H ASN A 104 93.992 -4.672 14.699 1.00 0.00 H new ATOM 0 HA ASN A 104 94.364 -2.718 15.889 1.00 0.00 H new ATOM 0 HB2 ASN A 104 96.018 -4.444 16.976 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.275 -3.683 16.020 1.00 0.00 H new ATOM 0 HD21 ASN A 104 97.670 -1.109 18.458 1.00 0.00 H new ATOM 0 HD22 ASN A 104 98.411 -2.186 17.269 1.00 0.00 H new ATOM 1459 N VAL A 105 95.267 -1.911 13.334 1.00 0.00 N ATOM 1460 CA VAL A 105 95.765 -0.874 12.383 1.00 0.00 C ATOM 1461 C VAL A 105 94.940 0.406 12.526 1.00 0.00 C ATOM 1462 O VAL A 105 93.735 0.388 12.349 1.00 0.00 O ATOM 1463 CB VAL A 105 95.582 -1.483 10.995 1.00 0.00 C ATOM 1464 CG1 VAL A 105 96.036 -0.486 9.924 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.418 -2.759 10.890 1.00 0.00 C ATOM 0 H VAL A 105 94.493 -2.480 12.991 1.00 0.00 H new ATOM 0 HA VAL A 105 96.805 -0.605 12.570 1.00 0.00 H new ATOM 0 HB VAL A 105 94.529 -1.718 10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.903 -0.927 8.936 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.441 0.424 9.998 1.00 0.00 H new ATOM 0 HG13 VAL A 105 97.088 -0.244 10.074 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.290 -3.197 9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.470 -2.519 11.048 1.00 0.00 H new ATOM 0 HG23 VAL A 105 96.091 -3.472 11.647 1.00 0.00 H new ATOM 1475 N ASN A 106 95.567 1.513 12.842 1.00 0.00 N ATOM 1476 CA ASN A 106 94.790 2.778 12.985 1.00 0.00 C ATOM 1477 C ASN A 106 94.515 3.362 11.598 1.00 0.00 C ATOM 1478 O ASN A 106 95.355 3.336 10.722 1.00 0.00 O ATOM 1479 CB ASN A 106 95.657 3.716 13.823 1.00 0.00 C ATOM 1480 CG ASN A 106 95.730 3.210 15.266 1.00 0.00 C ATOM 1481 OD1 ASN A 106 94.878 2.465 15.708 1.00 0.00 O ATOM 1482 ND2 ASN A 106 96.723 3.589 16.024 1.00 0.00 N ATOM 0 H ASN A 106 96.571 1.593 13.005 1.00 0.00 H new ATOM 0 HA ASN A 106 93.825 2.621 13.467 1.00 0.00 H new ATOM 0 HB2 ASN A 106 96.659 3.775 13.398 1.00 0.00 H new ATOM 0 HB3 ASN A 106 95.242 4.724 13.803 1.00 0.00 H new ATOM 0 HD21 ASN A 106 96.784 3.260 16.987 1.00 0.00 H new ATOM 0 HD22 ASN A 106 97.438 4.214 15.653 1.00 0.00 H new ATOM 1489 N TYR A 107 93.334 3.875 11.403 1.00 0.00 N ATOM 1490 CA TYR A 107 92.962 4.458 10.077 1.00 0.00 C ATOM 1491 C TYR A 107 92.216 5.780 10.263 1.00 0.00 C ATOM 1492 O TYR A 107 91.426 5.931 11.176 1.00 0.00 O ATOM 1493 CB TYR A 107 92.039 3.418 9.423 1.00 0.00 C ATOM 1494 CG TYR A 107 90.885 3.078 10.343 1.00 0.00 C ATOM 1495 CD1 TYR A 107 91.012 2.029 11.261 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.693 3.810 10.278 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.949 1.710 12.113 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.629 3.491 11.131 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.757 2.440 12.048 1.00 0.00 C ATOM 1500 OH TYR A 107 87.708 2.125 12.887 1.00 0.00 O ATOM 0 H TYR A 107 92.600 3.918 12.110 1.00 0.00 H new ATOM 0 HA TYR A 107 93.841 4.670 9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.657 3.806 8.479 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.605 2.516 9.191 1.00 0.00 H new ATOM 0 HD1 TYR A 107 91.932 1.465 11.312 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.594 4.620 9.571 1.00 0.00 H new ATOM 0 HE1 TYR A 107 90.048 0.900 12.821 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.710 4.056 11.082 1.00 0.00 H new ATOM 0 HH TYR A 107 86.957 2.730 12.713 1.00 0.00 H new ATOM 1510 N VAL A 108 92.465 6.737 9.406 1.00 0.00 N ATOM 1511 CA VAL A 108 91.771 8.057 9.532 1.00 0.00 C ATOM 1512 C VAL A 108 91.562 8.688 8.155 1.00 0.00 C ATOM 1513 O VAL A 108 92.333 8.471 7.239 1.00 0.00 O ATOM 1514 CB VAL A 108 92.694 8.924 10.396 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.855 8.281 11.775 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.071 9.055 9.733 1.00 0.00 C ATOM 0 H VAL A 108 93.117 6.663 8.625 1.00 0.00 H new ATOM 0 HA VAL A 108 90.783 7.955 9.980 1.00 0.00 H new ATOM 0 HB VAL A 108 92.253 9.915 10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.511 8.897 12.389 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.880 8.200 12.255 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.289 7.287 11.665 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.718 9.673 10.356 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.515 8.066 9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.960 9.519 8.753 1.00 0.00 H new ATOM 1526 N GLN A 109 90.521 9.468 8.004 1.00 0.00 N ATOM 1527 CA GLN A 109 90.251 10.117 6.688 1.00 0.00 C ATOM 1528 C GLN A 109 90.938 11.480 6.612 1.00 0.00 C ATOM 1529 O GLN A 109 90.932 12.239 7.564 1.00 0.00 O ATOM 1530 CB GLN A 109 88.737 10.291 6.635 1.00 0.00 C ATOM 1531 CG GLN A 109 88.333 10.822 5.259 1.00 0.00 C ATOM 1532 CD GLN A 109 86.806 10.814 5.121 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.105 10.275 5.957 1.00 0.00 O ATOM 1534 NE2 GLN A 109 86.259 11.383 4.083 1.00 0.00 N ATOM 0 H GLN A 109 89.846 9.683 8.738 1.00 0.00 H new ATOM 0 HA GLN A 109 90.629 9.522 5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.244 9.338 6.828 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.412 10.982 7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.713 11.835 5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.780 10.208 4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.845 11.835 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.245 11.376 3.973 1.00 0.00 H new ATOM 1543 N VAL A 110 91.517 11.800 5.485 1.00 0.00 N ATOM 1544 CA VAL A 110 92.192 13.120 5.338 1.00 0.00 C ATOM 1545 C VAL A 110 91.748 13.801 4.040 1.00 0.00 C ATOM 1546 O VAL A 110 90.973 13.259 3.275 1.00 0.00 O ATOM 1547 CB VAL A 110 93.699 12.823 5.326 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.098 12.133 6.638 1.00 0.00 C ATOM 1549 CG2 VAL A 110 94.052 11.922 4.132 1.00 0.00 C ATOM 0 H VAL A 110 91.551 11.202 4.659 1.00 0.00 H new ATOM 0 HA VAL A 110 91.937 13.801 6.150 1.00 0.00 H new ATOM 0 HB VAL A 110 94.246 13.761 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.168 11.923 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.864 12.787 7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.546 11.199 6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 110 95.123 11.718 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.504 10.983 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.780 12.425 3.204 1.00 0.00 H new ATOM 1559 N ASP A 111 92.223 14.997 3.802 1.00 0.00 N ATOM 1560 CA ASP A 111 91.821 15.744 2.570 1.00 0.00 C ATOM 1561 C ASP A 111 92.209 14.968 1.308 1.00 0.00 C ATOM 1562 O ASP A 111 93.244 14.336 1.243 1.00 0.00 O ATOM 1563 CB ASP A 111 92.586 17.067 2.632 1.00 0.00 C ATOM 1564 CG ASP A 111 92.023 17.943 3.756 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.847 17.813 4.055 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 92.780 18.734 4.295 1.00 0.00 O ATOM 0 H ASP A 111 92.875 15.491 4.411 1.00 0.00 H new ATOM 0 HA ASP A 111 90.742 15.893 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.645 16.877 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.506 17.588 1.678 1.00 0.00 H new ATOM 1571 N LEU A 112 91.373 15.027 0.304 1.00 0.00 N ATOM 1572 CA LEU A 112 91.658 14.313 -0.981 1.00 0.00 C ATOM 1573 C LEU A 112 92.961 14.818 -1.605 1.00 0.00 C ATOM 1574 O LEU A 112 93.706 14.067 -2.201 1.00 0.00 O ATOM 1575 CB LEU A 112 90.484 14.660 -1.899 1.00 0.00 C ATOM 1576 CG LEU A 112 90.670 13.975 -3.260 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.307 13.677 -3.881 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.463 14.899 -4.191 1.00 0.00 C ATOM 0 H LEU A 112 90.494 15.545 0.318 1.00 0.00 H new ATOM 0 HA LEU A 112 91.768 13.240 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.547 14.338 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.420 15.740 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 112 91.213 13.040 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.446 13.191 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.743 13.018 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.759 14.609 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.596 14.414 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.919 15.834 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.439 15.107 -3.752 1.00 0.00 H new ATOM 1590 N SER A 113 93.209 16.101 -1.515 1.00 0.00 N ATOM 1591 CA SER A 113 94.437 16.686 -2.142 1.00 0.00 C ATOM 1592 C SER A 113 95.702 15.967 -1.667 1.00 0.00 C ATOM 1593 O SER A 113 96.630 15.778 -2.428 1.00 0.00 O ATOM 1594 CB SER A 113 94.460 18.146 -1.689 1.00 0.00 C ATOM 1595 OG SER A 113 94.730 18.200 -0.294 1.00 0.00 O ATOM 0 H SER A 113 92.612 16.772 -1.032 1.00 0.00 H new ATOM 0 HA SER A 113 94.414 16.586 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 113 95.221 18.698 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 113 93.503 18.621 -1.905 1.00 0.00 H new ATOM 0 HG SER A 113 94.747 19.135 -0.000 1.00 0.00 H new ATOM 1601 N ASN A 114 95.750 15.572 -0.423 1.00 0.00 N ATOM 1602 CA ASN A 114 96.967 14.869 0.094 1.00 0.00 C ATOM 1603 C ASN A 114 97.078 13.472 -0.516 1.00 0.00 C ATOM 1604 O ASN A 114 98.141 12.882 -0.542 1.00 0.00 O ATOM 1605 CB ASN A 114 96.778 14.778 1.608 1.00 0.00 C ATOM 1606 CG ASN A 114 96.906 16.169 2.231 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.474 17.066 1.640 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.397 16.388 3.412 1.00 0.00 N ATOM 0 H ASN A 114 95.003 15.704 0.259 1.00 0.00 H new ATOM 0 HA ASN A 114 97.881 15.403 -0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.799 14.356 1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.523 14.108 2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.476 17.311 3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.920 15.636 3.909 1.00 0.00 H new ATOM 1615 N CYS A 115 95.995 12.948 -1.021 1.00 0.00 N ATOM 1616 CA CYS A 115 96.033 11.596 -1.653 1.00 0.00 C ATOM 1617 C CYS A 115 96.733 11.707 -3.002 1.00 0.00 C ATOM 1618 O CYS A 115 97.656 10.975 -3.303 1.00 0.00 O ATOM 1619 CB CYS A 115 94.568 11.185 -1.875 1.00 0.00 C ATOM 1620 SG CYS A 115 93.593 11.418 -0.366 1.00 0.00 S ATOM 0 H CYS A 115 95.080 13.399 -1.024 1.00 0.00 H new ATOM 0 HA CYS A 115 96.562 10.871 -1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 115 94.139 11.776 -2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.522 10.141 -2.184 1.00 0.00 H new ATOM 1625 N ILE A 116 96.279 12.621 -3.817 1.00 0.00 N ATOM 1626 CA ILE A 116 96.887 12.800 -5.170 1.00 0.00 C ATOM 1627 C ILE A 116 98.295 13.390 -5.052 1.00 0.00 C ATOM 1628 O ILE A 116 99.198 13.002 -5.769 1.00 0.00 O ATOM 1629 CB ILE A 116 95.945 13.755 -5.910 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.552 13.130 -6.004 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.468 14.023 -7.322 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.555 14.173 -6.514 1.00 0.00 C ATOM 0 H ILE A 116 95.509 13.255 -3.604 1.00 0.00 H new ATOM 0 HA ILE A 116 96.996 11.855 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 116 95.894 14.695 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.572 12.272 -6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.241 12.762 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 116 95.790 14.703 -7.838 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.459 14.473 -7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.528 13.084 -7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 116 92.563 13.726 -6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.527 15.017 -5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 116 93.864 14.520 -7.500 1.00 0.00 H new ATOM 1644 N ASN A 117 98.483 14.326 -4.156 1.00 0.00 N ATOM 1645 CA ASN A 117 99.834 14.945 -3.993 1.00 0.00 C ATOM 1646 C ASN A 117 100.807 13.932 -3.386 1.00 0.00 C ATOM 1647 O ASN A 117 101.960 13.859 -3.768 1.00 0.00 O ATOM 1648 CB ASN A 117 99.625 16.129 -3.049 1.00 0.00 C ATOM 1649 CG ASN A 117 98.834 17.224 -3.770 1.00 0.00 C ATOM 1650 OD1 ASN A 117 98.855 17.307 -4.982 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.131 18.074 -3.072 1.00 0.00 N ATOM 0 H ASN A 117 97.762 14.688 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 117 100.259 15.262 -4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.089 15.806 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.588 16.519 -2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 117 97.601 18.806 -3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.112 18.006 -2.054 1.00 0.00 H new ATOM 1658 N GLY A 118 100.348 13.159 -2.438 1.00 0.00 N ATOM 1659 CA GLY A 118 101.235 12.151 -1.788 1.00 0.00 C ATOM 1660 C GLY A 118 101.573 11.029 -2.772 1.00 0.00 C ATOM 1661 O GLY A 118 102.727 10.708 -2.985 1.00 0.00 O ATOM 0 H GLY A 118 99.392 13.183 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.151 12.631 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.743 11.737 -0.908 1.00 0.00 H new ATOM 1665 N ALA A 119 100.574 10.427 -3.367 1.00 0.00 N ATOM 1666 CA ALA A 119 100.832 9.314 -4.336 1.00 0.00 C ATOM 1667 C ALA A 119 101.688 9.807 -5.507 1.00 0.00 C ATOM 1668 O ALA A 119 102.625 9.149 -5.920 1.00 0.00 O ATOM 1669 CB ALA A 119 99.451 8.876 -4.827 1.00 0.00 C ATOM 0 H ALA A 119 99.590 10.657 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 119 101.377 8.492 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.561 8.061 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.854 8.537 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.953 9.717 -5.309 1.00 0.00 H new ATOM 1675 N ASN A 120 101.371 10.959 -6.043 1.00 0.00 N ATOM 1676 CA ASN A 120 102.160 11.499 -7.188 1.00 0.00 C ATOM 1677 C ASN A 120 103.030 12.672 -6.725 1.00 0.00 C ATOM 1678 O ASN A 120 103.156 13.627 -7.475 1.00 0.00 O ATOM 1679 CB ASN A 120 101.114 11.965 -8.203 1.00 0.00 C ATOM 1680 CG ASN A 120 100.410 10.749 -8.814 1.00 0.00 C ATOM 1681 OD1 ASN A 120 100.924 9.648 -8.774 1.00 0.00 O ATOM 1682 ND2 ASN A 120 99.245 10.902 -9.382 1.00 0.00 N ATOM 1683 OXT ASN A 120 103.558 12.593 -5.628 1.00 0.00 O ATOM 0 H ASN A 120 100.598 11.549 -5.735 1.00 0.00 H new ATOM 0 HA ASN A 120 102.835 10.757 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 120 100.385 12.613 -7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 120 101.591 12.553 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 120 98.768 10.099 -9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 120 98.812 11.825 -9.417 1.00 0.00 H new TER 1690 ASN A 120