USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 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 22 ASN : amide:sc= -0.268 X(o=-0.3,f=-0.47) USER MOD Set 1.2: A 28 MET CE :methyl 168:sc= -0.0294 (180deg=-0.37) USER MOD Set 2.1: A 15 MET CE :methyl -159:sc= -2.79 (180deg=-5.22!) USER MOD Set 2.2: A 31 TYR OH : rot 154:sc= -3.02 USER MOD Set 3.1: A 4 SER OG : rot -170:sc= -0.384 USER MOD Set 3.2: A 84 ASN : amide:sc= -3.04 K(o=-3.4,f=-7.7!) USER MOD Single : A 1 VAL N :NH3+ -115:sc= -1.67 (180deg=-2.45!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -45:sc= 0.112 USER MOD Single : A 9 TYR OH : rot 180:sc= -2.49 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 6:sc= 0.368 USER MOD Single : A 25 HIS : no HD1:sc= -3 X(o=-3,f=-3.1!) USER MOD Single : A 30 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.345 K(o=-0.35,f=-2.6!) USER MOD Single : A 54 SER OG : rot 40:sc= -3.15 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 110:sc= 0.591 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= -0.0316 K(o=-0.032,f=-0.93) USER MOD Single : A 69 ASN : amide:sc= -0.856 K(o=-0.86,f=-2.6!) USER MOD Single : A 70 SER OG : rot -140:sc= -0.286 USER MOD Single : A 78 SER OG : rot 116:sc= 0.713 USER MOD Single : A 86 ASN : amide:sc= -2.86 K(o=-2.9,f=-8.5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 88:sc= -0.538 USER MOD Single : A 92 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0198) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc=5.93e-06 USER MOD Single : A 104 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.1!) USER MOD Single : A 106 ASN : amide:sc= -0.0686 K(o=-0.069,f=-2.7!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -2.01 K(o=-2,f=-3.4!) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0692 USER MOD Single : A 114 ASN : amide:sc= -1.22 K(o=-1.2,f=-1.7!) USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 120 ASN : amide:sc=-0.00334 K(o=-0.0033,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.683 -2.637 13.584 1.00 0.00 N ATOM 2 CA VAL A 1 90.433 -3.563 12.440 1.00 0.00 C ATOM 3 C VAL A 1 91.745 -4.172 11.927 1.00 0.00 C ATOM 4 O VAL A 1 92.826 -3.836 12.384 1.00 0.00 O ATOM 5 CB VAL A 1 89.768 -2.709 11.355 1.00 0.00 C ATOM 6 CG1 VAL A 1 88.430 -2.159 11.874 1.00 0.00 C ATOM 7 CG2 VAL A 1 90.695 -1.547 10.972 1.00 0.00 C ATOM 0 H1 VAL A 1 90.243 -3.021 14.444 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.707 -2.539 13.733 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.273 -1.705 13.372 1.00 0.00 H new ATOM 0 HA VAL A 1 89.802 -4.401 12.736 1.00 0.00 H new ATOM 0 HB VAL A 1 89.583 -3.325 10.475 1.00 0.00 H new ATOM 0 HG11 VAL A 1 87.961 -1.552 11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 1 87.772 -2.988 12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 1 88.607 -1.546 12.758 1.00 0.00 H new ATOM 0 HG21 VAL A 1 90.220 -0.941 10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 1 90.887 -0.930 11.850 1.00 0.00 H new ATOM 0 HG23 VAL A 1 91.637 -1.943 10.593 1.00 0.00 H new ATOM 17 N SER A 2 91.643 -5.079 10.990 1.00 0.00 N ATOM 18 CA SER A 2 92.858 -5.742 10.429 1.00 0.00 C ATOM 19 C SER A 2 93.038 -5.374 8.951 1.00 0.00 C ATOM 20 O SER A 2 92.088 -5.062 8.261 1.00 0.00 O ATOM 21 CB SER A 2 92.577 -7.236 10.567 1.00 0.00 C ATOM 22 OG SER A 2 91.433 -7.573 9.794 1.00 0.00 O ATOM 0 H SER A 2 90.760 -5.392 10.586 1.00 0.00 H new ATOM 0 HA SER A 2 93.769 -5.437 10.944 1.00 0.00 H new ATOM 0 HB2 SER A 2 93.439 -7.812 10.231 1.00 0.00 H new ATOM 0 HB3 SER A 2 92.411 -7.491 11.614 1.00 0.00 H new ATOM 0 HG SER A 2 91.251 -8.532 9.880 1.00 0.00 H new ATOM 28 N ILE A 3 94.254 -5.416 8.463 1.00 0.00 N ATOM 29 CA ILE A 3 94.511 -5.078 7.030 1.00 0.00 C ATOM 30 C ILE A 3 95.137 -6.270 6.301 1.00 0.00 C ATOM 31 O ILE A 3 95.850 -7.060 6.886 1.00 0.00 O ATOM 32 CB ILE A 3 95.496 -3.901 7.053 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.795 -4.304 7.763 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.863 -2.722 7.791 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.868 -3.250 7.483 1.00 0.00 C ATOM 0 H ILE A 3 95.083 -5.671 8.999 1.00 0.00 H new ATOM 0 HA ILE A 3 93.588 -4.828 6.507 1.00 0.00 H new ATOM 0 HB ILE A 3 95.727 -3.616 6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.625 -4.391 8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.127 -5.281 7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.562 -1.886 7.808 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.949 -2.421 7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.626 -3.017 8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.794 -3.531 7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.043 -3.185 6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.533 -2.282 7.855 1.00 0.00 H new ATOM 47 N SER A 4 94.882 -6.389 5.026 1.00 0.00 N ATOM 48 CA SER A 4 95.459 -7.510 4.227 1.00 0.00 C ATOM 49 C SER A 4 95.699 -7.020 2.800 1.00 0.00 C ATOM 50 O SER A 4 95.544 -5.846 2.514 1.00 0.00 O ATOM 51 CB SER A 4 94.398 -8.609 4.241 1.00 0.00 C ATOM 52 OG SER A 4 93.116 -8.026 4.051 1.00 0.00 O ATOM 0 H SER A 4 94.290 -5.749 4.497 1.00 0.00 H new ATOM 0 HA SER A 4 96.407 -7.871 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 4 94.600 -9.336 3.454 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.428 -9.148 5.188 1.00 0.00 H new ATOM 0 HG SER A 4 92.423 -8.699 4.216 1.00 0.00 H new ATOM 58 N TYR A 5 96.049 -7.899 1.896 1.00 0.00 N ATOM 59 CA TYR A 5 96.263 -7.463 0.487 1.00 0.00 C ATOM 60 C TYR A 5 95.732 -8.522 -0.489 1.00 0.00 C ATOM 61 O TYR A 5 95.859 -9.709 -0.250 1.00 0.00 O ATOM 62 CB TYR A 5 97.779 -7.282 0.345 1.00 0.00 C ATOM 63 CG TYR A 5 98.496 -8.583 0.618 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.902 -8.900 1.920 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.768 -9.466 -0.434 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.577 -10.100 2.169 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.442 -10.667 -0.185 1.00 0.00 C ATOM 68 CZ TYR A 5 99.848 -10.984 1.116 1.00 0.00 C ATOM 69 OH TYR A 5 100.515 -12.166 1.362 1.00 0.00 O ATOM 0 H TYR A 5 96.195 -8.893 2.073 1.00 0.00 H new ATOM 0 HA TYR A 5 95.730 -6.541 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 5 98.017 -6.933 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.126 -6.516 1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.694 -8.219 2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.457 -9.220 -1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.889 -10.345 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.649 -11.349 -0.997 1.00 0.00 H new ATOM 0 HH TYR A 5 101.281 -11.993 1.948 1.00 0.00 H new ATOM 79 N ASP A 6 95.148 -8.103 -1.586 1.00 0.00 N ATOM 80 CA ASP A 6 94.620 -9.083 -2.576 1.00 0.00 C ATOM 81 C ASP A 6 95.043 -8.681 -3.999 1.00 0.00 C ATOM 82 O ASP A 6 95.197 -7.509 -4.281 1.00 0.00 O ATOM 83 CB ASP A 6 93.099 -9.013 -2.433 1.00 0.00 C ATOM 84 CG ASP A 6 92.625 -10.032 -1.391 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.401 -10.357 -0.505 1.00 0.00 O ATOM 86 OD2 ASP A 6 91.491 -10.472 -1.496 1.00 0.00 O1- ATOM 0 H ASP A 6 95.016 -7.123 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 6 95.001 -10.089 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.799 -8.008 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.625 -9.215 -3.394 1.00 0.00 H new ATOM 91 N PRO A 7 95.207 -9.662 -4.863 1.00 0.00 N ATOM 92 CA PRO A 7 95.600 -9.367 -6.262 1.00 0.00 C ATOM 93 C PRO A 7 94.392 -8.894 -7.089 1.00 0.00 C ATOM 94 O PRO A 7 94.515 -8.587 -8.260 1.00 0.00 O ATOM 95 CB PRO A 7 96.117 -10.706 -6.779 1.00 0.00 C ATOM 96 CG PRO A 7 95.443 -11.748 -5.939 1.00 0.00 C ATOM 97 CD PRO A 7 95.052 -11.108 -4.630 1.00 0.00 C ATOM 0 HA PRO A 7 96.339 -8.568 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 7 95.878 -10.838 -7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.201 -10.770 -6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 7 94.563 -12.139 -6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.113 -12.591 -5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.027 -11.358 -4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.691 -11.449 -3.815 1.00 0.00 H new ATOM 105 N ILE A 8 93.226 -8.834 -6.488 1.00 0.00 N ATOM 106 CA ILE A 8 92.003 -8.386 -7.224 1.00 0.00 C ATOM 107 C ILE A 8 92.050 -6.876 -7.507 1.00 0.00 C ATOM 108 O ILE A 8 91.315 -6.383 -8.345 1.00 0.00 O ATOM 109 CB ILE A 8 90.834 -8.749 -6.299 1.00 0.00 C ATOM 110 CG1 ILE A 8 89.514 -8.350 -6.954 1.00 0.00 C ATOM 111 CG2 ILE A 8 90.978 -8.021 -4.954 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.211 -9.295 -8.120 1.00 0.00 C ATOM 0 H ILE A 8 93.070 -9.079 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 8 91.911 -8.864 -8.199 1.00 0.00 H new ATOM 0 HB ILE A 8 90.844 -9.825 -6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 8 88.707 -8.389 -6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 8 89.570 -7.322 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.143 -8.286 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.914 -8.316 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 8 90.980 -6.944 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 8 88.268 -9.008 -8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 8 90.013 -9.234 -8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.136 -10.317 -7.750 1.00 0.00 H new ATOM 124 N TYR A 9 92.915 -6.143 -6.854 1.00 0.00 N ATOM 125 CA TYR A 9 93.008 -4.679 -7.132 1.00 0.00 C ATOM 126 C TYR A 9 94.369 -4.333 -7.740 1.00 0.00 C ATOM 127 O TYR A 9 95.185 -3.644 -7.166 1.00 0.00 O ATOM 128 CB TYR A 9 92.752 -3.957 -5.808 1.00 0.00 C ATOM 129 CG TYR A 9 91.373 -4.317 -5.303 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.253 -4.136 -6.128 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.215 -4.840 -4.015 1.00 0.00 C ATOM 132 CE1 TYR A 9 88.976 -4.478 -5.662 1.00 0.00 C ATOM 133 CE2 TYR A 9 89.939 -5.181 -3.550 1.00 0.00 C ATOM 134 CZ TYR A 9 88.823 -5.002 -4.371 1.00 0.00 C ATOM 135 OH TYR A 9 87.573 -5.351 -3.908 1.00 0.00 O ATOM 0 H TYR A 9 93.558 -6.493 -6.144 1.00 0.00 H new ATOM 0 HA TYR A 9 92.268 -4.362 -7.866 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.506 -4.240 -5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 9 92.831 -2.879 -5.947 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.375 -3.733 -7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.077 -4.981 -3.380 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.113 -4.338 -6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 9 89.817 -5.583 -2.555 1.00 0.00 H new ATOM 0 HH TYR A 9 87.648 -5.698 -2.995 1.00 0.00 H new ATOM 145 N ALA A 10 94.563 -4.794 -8.950 1.00 0.00 N ATOM 146 CA ALA A 10 95.807 -4.510 -9.724 1.00 0.00 C ATOM 147 C ALA A 10 95.485 -3.473 -10.802 1.00 0.00 C ATOM 148 O ALA A 10 94.347 -3.089 -10.997 1.00 0.00 O ATOM 149 CB ALA A 10 96.247 -5.842 -10.331 1.00 0.00 C ATOM 0 H ALA A 10 93.887 -5.374 -9.447 1.00 0.00 H new ATOM 0 HA ALA A 10 96.608 -4.103 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.158 -5.694 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.438 -6.560 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.460 -6.223 -10.982 1.00 0.00 H new ATOM 155 N ALA A 11 96.502 -2.961 -11.441 1.00 0.00 N ATOM 156 CA ALA A 11 96.311 -1.870 -12.449 1.00 0.00 C ATOM 157 C ALA A 11 95.409 -2.258 -13.625 1.00 0.00 C ATOM 158 O ALA A 11 94.728 -1.400 -14.161 1.00 0.00 O ATOM 159 CB ALA A 11 97.719 -1.521 -12.949 1.00 0.00 C ATOM 0 H ALA A 11 97.470 -3.254 -11.308 1.00 0.00 H new ATOM 0 HA ALA A 11 95.802 -1.028 -11.980 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.655 -0.726 -13.692 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.330 -1.185 -12.111 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.174 -2.403 -13.399 1.00 0.00 H new ATOM 165 N ASP A 12 95.416 -3.489 -14.089 1.00 0.00 N ATOM 166 CA ASP A 12 94.570 -3.802 -15.288 1.00 0.00 C ATOM 167 C ASP A 12 93.142 -4.209 -14.906 1.00 0.00 C ATOM 168 O ASP A 12 92.400 -4.719 -15.726 1.00 0.00 O ATOM 169 CB ASP A 12 95.295 -4.934 -16.015 1.00 0.00 C ATOM 170 CG ASP A 12 96.588 -4.404 -16.649 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.659 -3.214 -16.915 1.00 0.00 O ATOM 172 OD2 ASP A 12 97.487 -5.202 -16.859 1.00 0.00 O1- ATOM 0 H ASP A 12 95.952 -4.267 -13.704 1.00 0.00 H new ATOM 0 HA ASP A 12 94.452 -2.922 -15.920 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.525 -5.738 -15.316 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.649 -5.356 -16.785 1.00 0.00 H new ATOM 177 N LEU A 13 92.749 -3.983 -13.683 1.00 0.00 N ATOM 178 CA LEU A 13 91.365 -4.346 -13.249 1.00 0.00 C ATOM 179 C LEU A 13 90.360 -3.337 -13.802 1.00 0.00 C ATOM 180 O LEU A 13 90.462 -2.149 -13.552 1.00 0.00 O ATOM 181 CB LEU A 13 91.393 -4.267 -11.721 1.00 0.00 C ATOM 182 CG LEU A 13 90.013 -4.640 -11.166 1.00 0.00 C ATOM 183 CD1 LEU A 13 89.754 -6.130 -11.401 1.00 0.00 C ATOM 184 CD2 LEU A 13 89.965 -4.340 -9.666 1.00 0.00 C ATOM 0 H LEU A 13 93.329 -3.560 -12.959 1.00 0.00 H new ATOM 0 HA LEU A 13 91.069 -5.332 -13.607 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.151 -4.943 -11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.665 -3.261 -11.403 1.00 0.00 H new ATOM 0 HG LEU A 13 89.247 -4.055 -11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 13 88.773 -6.395 -11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 13 89.784 -6.340 -12.470 1.00 0.00 H new ATOM 0 HD13 LEU A 13 90.520 -6.717 -10.894 1.00 0.00 H new ATOM 0 HD21 LEU A 13 88.984 -4.606 -9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 13 90.731 -4.922 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.146 -3.278 -9.501 1.00 0.00 H new ATOM 196 N SER A 14 89.389 -3.801 -14.542 1.00 0.00 N ATOM 197 CA SER A 14 88.372 -2.866 -15.101 1.00 0.00 C ATOM 198 C SER A 14 87.558 -2.252 -13.962 1.00 0.00 C ATOM 199 O SER A 14 87.183 -2.921 -13.018 1.00 0.00 O ATOM 200 CB SER A 14 87.487 -3.707 -16.018 1.00 0.00 C ATOM 201 OG SER A 14 88.216 -4.057 -17.187 1.00 0.00 O ATOM 0 H SER A 14 89.257 -4.783 -14.783 1.00 0.00 H new ATOM 0 HA SER A 14 88.827 -2.043 -15.652 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.158 -4.607 -15.499 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.591 -3.149 -16.289 1.00 0.00 H new ATOM 0 HG SER A 14 87.650 -4.598 -17.776 1.00 0.00 H new ATOM 207 N MET A 15 87.301 -0.977 -14.046 1.00 0.00 N ATOM 208 CA MET A 15 86.525 -0.282 -12.971 1.00 0.00 C ATOM 209 C MET A 15 85.091 -0.821 -12.881 1.00 0.00 C ATOM 210 O MET A 15 84.421 -0.632 -11.884 1.00 0.00 O ATOM 211 CB MET A 15 86.518 1.196 -13.364 1.00 0.00 C ATOM 212 CG MET A 15 87.953 1.727 -13.368 1.00 0.00 C ATOM 213 SD MET A 15 88.589 1.763 -11.672 1.00 0.00 S ATOM 214 CE MET A 15 87.555 3.119 -11.065 1.00 0.00 C ATOM 0 H MET A 15 87.596 -0.379 -14.818 1.00 0.00 H new ATOM 0 HA MET A 15 86.975 -0.443 -11.991 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.070 1.319 -14.350 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.909 1.767 -12.663 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.585 1.094 -13.991 1.00 0.00 H new ATOM 0 HG3 MET A 15 87.981 2.728 -13.799 1.00 0.00 H new ATOM 0 HE1 MET A 15 88.016 3.560 -10.181 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.458 3.878 -11.841 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.568 2.736 -10.807 1.00 0.00 H new ATOM 224 N GLY A 16 84.603 -1.473 -13.907 1.00 0.00 N ATOM 225 CA GLY A 16 83.206 -2.004 -13.875 1.00 0.00 C ATOM 226 C GLY A 16 83.105 -3.227 -12.959 1.00 0.00 C ATOM 227 O GLY A 16 82.020 -3.623 -12.576 1.00 0.00 O ATOM 0 H GLY A 16 85.115 -1.661 -14.769 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.526 -1.227 -13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.892 -2.274 -14.883 1.00 0.00 H new ATOM 231 N SER A 17 84.210 -3.838 -12.613 1.00 0.00 N ATOM 232 CA SER A 17 84.157 -5.047 -11.736 1.00 0.00 C ATOM 233 C SER A 17 84.191 -4.668 -10.248 1.00 0.00 C ATOM 234 O SER A 17 83.906 -5.489 -9.395 1.00 0.00 O ATOM 235 CB SER A 17 85.391 -5.862 -12.113 1.00 0.00 C ATOM 236 OG SER A 17 85.216 -6.401 -13.418 1.00 0.00 O ATOM 0 H SER A 17 85.146 -3.552 -12.900 1.00 0.00 H new ATOM 0 HA SER A 17 83.231 -5.604 -11.880 1.00 0.00 H new ATOM 0 HB2 SER A 17 86.280 -5.232 -12.083 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.545 -6.665 -11.393 1.00 0.00 H new ATOM 0 HG SER A 17 86.007 -6.924 -13.665 1.00 0.00 H new ATOM 242 N VAL A 18 84.532 -3.443 -9.924 1.00 0.00 N ATOM 243 CA VAL A 18 84.575 -3.035 -8.490 1.00 0.00 C ATOM 244 C VAL A 18 83.197 -2.491 -8.087 1.00 0.00 C ATOM 245 O VAL A 18 82.417 -2.114 -8.934 1.00 0.00 O ATOM 246 CB VAL A 18 85.671 -1.956 -8.432 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.274 -0.747 -9.294 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.901 -1.505 -6.988 1.00 0.00 C ATOM 0 H VAL A 18 84.781 -2.713 -10.591 1.00 0.00 H new ATOM 0 HA VAL A 18 84.798 -3.850 -7.801 1.00 0.00 H new ATOM 0 HB VAL A 18 86.595 -2.384 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.058 0.009 -9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.142 -1.065 -10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.340 -0.326 -8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.679 -0.742 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.976 -1.093 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.212 -2.358 -6.385 1.00 0.00 H new ATOM 258 N ALA A 19 82.886 -2.459 -6.811 1.00 0.00 N ATOM 259 CA ALA A 19 81.542 -1.945 -6.362 1.00 0.00 C ATOM 260 C ALA A 19 81.232 -0.592 -7.025 1.00 0.00 C ATOM 261 O ALA A 19 80.131 -0.345 -7.471 1.00 0.00 O ATOM 262 CB ALA A 19 81.662 -1.786 -4.844 1.00 0.00 C ATOM 0 H ALA A 19 83.502 -2.766 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 19 80.733 -2.621 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.720 -1.414 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.893 -2.752 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.459 -1.079 -4.614 1.00 0.00 H new ATOM 268 N CYS A 20 82.213 0.264 -7.112 1.00 0.00 N ATOM 269 CA CYS A 20 82.007 1.592 -7.774 1.00 0.00 C ATOM 270 C CYS A 20 82.039 1.385 -9.298 1.00 0.00 C ATOM 271 O CYS A 20 83.087 1.472 -9.910 1.00 0.00 O ATOM 272 CB CYS A 20 83.206 2.446 -7.322 1.00 0.00 C ATOM 273 SG CYS A 20 82.623 3.970 -6.535 1.00 0.00 S ATOM 0 H CYS A 20 83.154 0.104 -6.753 1.00 0.00 H new ATOM 0 HA CYS A 20 81.059 2.064 -7.516 1.00 0.00 H new ATOM 0 HB2 CYS A 20 83.823 1.880 -6.624 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.834 2.688 -8.179 1.00 0.00 H new ATOM 278 N SER A 21 80.915 1.066 -9.912 1.00 0.00 N ATOM 279 CA SER A 21 80.927 0.801 -11.388 1.00 0.00 C ATOM 280 C SER A 21 80.454 2.007 -12.218 1.00 0.00 C ATOM 281 O SER A 21 81.265 2.741 -12.752 1.00 0.00 O ATOM 282 CB SER A 21 79.988 -0.391 -11.587 1.00 0.00 C ATOM 283 OG SER A 21 80.503 -1.519 -10.898 1.00 0.00 O ATOM 0 H SER A 21 80.005 0.980 -9.459 1.00 0.00 H new ATOM 0 HA SER A 21 81.942 0.602 -11.732 1.00 0.00 H new ATOM 0 HB2 SER A 21 78.992 -0.149 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 21 79.887 -0.615 -12.649 1.00 0.00 H new ATOM 0 HG SER A 21 81.291 -1.254 -10.379 1.00 0.00 H new ATOM 289 N ASN A 22 79.160 2.200 -12.368 1.00 0.00 N ATOM 290 CA ASN A 22 78.676 3.341 -13.208 1.00 0.00 C ATOM 291 C ASN A 22 77.489 4.078 -12.585 1.00 0.00 C ATOM 292 O ASN A 22 76.880 4.918 -13.222 1.00 0.00 O ATOM 293 CB ASN A 22 78.252 2.692 -14.523 1.00 0.00 C ATOM 294 CG ASN A 22 79.490 2.408 -15.374 1.00 0.00 C ATOM 295 OD1 ASN A 22 79.725 1.284 -15.772 1.00 0.00 O ATOM 296 ND2 ASN A 22 80.299 3.388 -15.671 1.00 0.00 N ATOM 0 H ASN A 22 78.430 1.624 -11.950 1.00 0.00 H new ATOM 0 HA ASN A 22 79.456 4.094 -13.322 1.00 0.00 H new ATOM 0 HB2 ASN A 22 77.713 1.766 -14.326 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.570 3.350 -15.062 1.00 0.00 H new ATOM 0 HD21 ASN A 22 81.129 3.211 -16.237 1.00 0.00 H new ATOM 0 HD22 ASN A 22 80.102 4.331 -15.337 1.00 0.00 H new ATOM 303 N GLY A 23 77.156 3.788 -11.360 1.00 0.00 N ATOM 304 CA GLY A 23 76.008 4.490 -10.712 1.00 0.00 C ATOM 305 C GLY A 23 76.411 5.936 -10.430 1.00 0.00 C ATOM 306 O GLY A 23 77.210 6.516 -11.141 1.00 0.00 O ATOM 0 H GLY A 23 77.627 3.096 -10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.133 4.462 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 23 75.733 3.987 -9.785 1.00 0.00 H new ATOM 310 N ASP A 24 75.892 6.506 -9.378 1.00 0.00 N ATOM 311 CA ASP A 24 76.266 7.906 -9.010 1.00 0.00 C ATOM 312 C ASP A 24 77.757 7.967 -8.683 1.00 0.00 C ATOM 313 O ASP A 24 78.436 8.915 -9.034 1.00 0.00 O ATOM 314 CB ASP A 24 75.440 8.229 -7.764 1.00 0.00 C ATOM 315 CG ASP A 24 73.965 8.366 -8.146 1.00 0.00 C ATOM 316 OD1 ASP A 24 73.653 9.261 -8.914 1.00 0.00 O ATOM 317 OD2 ASP A 24 73.173 7.572 -7.667 1.00 0.00 O1- ATOM 0 H ASP A 24 75.221 6.062 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 24 76.074 8.613 -9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.562 7.441 -7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.796 9.154 -7.310 1.00 0.00 H new ATOM 322 N HIS A 25 78.267 6.975 -8.004 1.00 0.00 N ATOM 323 CA HIS A 25 79.717 6.982 -7.638 1.00 0.00 C ATOM 324 C HIS A 25 80.551 6.210 -8.667 1.00 0.00 C ATOM 325 O HIS A 25 81.724 5.979 -8.454 1.00 0.00 O ATOM 326 CB HIS A 25 79.801 6.287 -6.278 1.00 0.00 C ATOM 327 CG HIS A 25 78.902 6.975 -5.290 1.00 0.00 C ATOM 328 ND1 HIS A 25 79.105 8.283 -4.880 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.778 6.545 -4.638 1.00 0.00 C ATOM 330 CE1 HIS A 25 78.120 8.592 -4.017 1.00 0.00 C ATOM 331 NE2 HIS A 25 77.282 7.567 -3.835 1.00 0.00 N ATOM 0 H HIS A 25 77.744 6.159 -7.686 1.00 0.00 H new ATOM 0 HA HIS A 25 80.109 7.999 -7.610 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.512 5.241 -6.377 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.829 6.301 -5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.342 5.561 -4.733 1.00 0.00 H new ATOM 0 HE1 HIS A 25 78.019 9.551 -3.531 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.457 7.540 -3.236 1.00 0.00 H new ATOM 339 N GLY A 26 79.970 5.807 -9.780 1.00 0.00 N ATOM 340 CA GLY A 26 80.758 5.048 -10.809 1.00 0.00 C ATOM 341 C GLY A 26 82.020 5.828 -11.175 1.00 0.00 C ATOM 342 O GLY A 26 81.973 6.999 -11.500 1.00 0.00 O ATOM 0 H GLY A 26 78.991 5.970 -10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.027 4.065 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.150 4.885 -11.699 1.00 0.00 H new ATOM 346 N LEU A 27 83.143 5.180 -11.094 1.00 0.00 N ATOM 347 CA LEU A 27 84.434 5.852 -11.402 1.00 0.00 C ATOM 348 C LEU A 27 84.952 5.466 -12.795 1.00 0.00 C ATOM 349 O LEU A 27 85.883 6.065 -13.301 1.00 0.00 O ATOM 350 CB LEU A 27 85.374 5.340 -10.321 1.00 0.00 C ATOM 351 CG LEU A 27 84.953 5.908 -8.965 1.00 0.00 C ATOM 352 CD1 LEU A 27 85.745 5.225 -7.848 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.221 7.415 -8.937 1.00 0.00 C ATOM 0 H LEU A 27 83.224 4.200 -10.824 1.00 0.00 H new ATOM 0 HA LEU A 27 84.343 6.938 -11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.353 4.251 -10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.399 5.633 -10.547 1.00 0.00 H new ATOM 0 HG LEU A 27 83.889 5.725 -8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.441 5.634 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 27 85.549 4.153 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 27 86.810 5.401 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 27 84.921 7.820 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.284 7.598 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.649 7.901 -9.727 1.00 0.00 H new ATOM 365 N MET A 28 84.367 4.472 -13.414 1.00 0.00 N ATOM 366 CA MET A 28 84.834 4.047 -14.769 1.00 0.00 C ATOM 367 C MET A 28 84.709 5.198 -15.774 1.00 0.00 C ATOM 368 O MET A 28 85.407 5.236 -16.771 1.00 0.00 O ATOM 369 CB MET A 28 83.920 2.876 -15.165 1.00 0.00 C ATOM 370 CG MET A 28 84.277 2.378 -16.579 1.00 0.00 C ATOM 371 SD MET A 28 84.721 0.620 -16.538 1.00 0.00 S ATOM 372 CE MET A 28 83.045 -0.046 -16.675 1.00 0.00 C ATOM 0 H MET A 28 83.585 3.935 -13.039 1.00 0.00 H new ATOM 0 HA MET A 28 85.885 3.756 -14.762 1.00 0.00 H new ATOM 0 HB2 MET A 28 84.027 2.063 -14.447 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.877 3.193 -15.135 1.00 0.00 H new ATOM 0 HG2 MET A 28 83.431 2.530 -17.249 1.00 0.00 H new ATOM 0 HG3 MET A 28 85.108 2.960 -16.977 1.00 0.00 H new ATOM 0 HE1 MET A 28 83.094 -1.115 -16.883 1.00 0.00 H new ATOM 0 HE2 MET A 28 82.511 0.118 -15.739 1.00 0.00 H new ATOM 0 HE3 MET A 28 82.519 0.457 -17.486 1.00 0.00 H new ATOM 382 N ALA A 29 83.791 6.101 -15.550 1.00 0.00 N ATOM 383 CA ALA A 29 83.577 7.215 -16.527 1.00 0.00 C ATOM 384 C ALA A 29 84.846 8.049 -16.771 1.00 0.00 C ATOM 385 O ALA A 29 85.318 8.129 -17.891 1.00 0.00 O ATOM 386 CB ALA A 29 82.483 8.085 -15.904 1.00 0.00 C ATOM 0 H ALA A 29 83.179 6.117 -14.734 1.00 0.00 H new ATOM 0 HA ALA A 29 83.302 6.817 -17.504 1.00 0.00 H new ATOM 0 HB1 ALA A 29 82.268 8.927 -16.563 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.579 7.491 -15.768 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.821 8.458 -14.937 1.00 0.00 H new ATOM 392 N GLN A 30 85.388 8.698 -15.761 1.00 0.00 N ATOM 393 CA GLN A 30 86.602 9.550 -15.994 1.00 0.00 C ATOM 394 C GLN A 30 87.832 8.695 -16.300 1.00 0.00 C ATOM 395 O GLN A 30 88.623 9.025 -17.165 1.00 0.00 O ATOM 396 CB GLN A 30 86.798 10.360 -14.719 1.00 0.00 C ATOM 397 CG GLN A 30 85.680 11.390 -14.608 1.00 0.00 C ATOM 398 CD GLN A 30 85.754 12.099 -13.251 1.00 0.00 C ATOM 399 OE1 GLN A 30 86.426 11.645 -12.345 1.00 0.00 O ATOM 400 NE2 GLN A 30 85.081 13.203 -13.070 1.00 0.00 N ATOM 0 H GLN A 30 85.047 8.675 -14.800 1.00 0.00 H new ATOM 0 HA GLN A 30 86.466 10.199 -16.859 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.791 9.702 -13.850 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.768 10.857 -14.734 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.765 12.119 -15.414 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.712 10.902 -14.720 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.516 13.586 -13.828 1.00 0.00 H new ATOM 0 HE22 GLN A 30 85.120 13.682 -12.170 1.00 0.00 H new ATOM 409 N TYR A 31 87.986 7.597 -15.618 1.00 0.00 N ATOM 410 CA TYR A 31 89.150 6.708 -15.885 1.00 0.00 C ATOM 411 C TYR A 31 88.661 5.255 -15.913 1.00 0.00 C ATOM 412 O TYR A 31 88.359 4.691 -14.881 1.00 0.00 O ATOM 413 CB TYR A 31 90.187 6.957 -14.776 1.00 0.00 C ATOM 414 CG TYR A 31 89.610 6.779 -13.393 1.00 0.00 C ATOM 415 CD1 TYR A 31 88.657 7.677 -12.905 1.00 0.00 C ATOM 416 CD2 TYR A 31 90.070 5.738 -12.580 1.00 0.00 C ATOM 417 CE1 TYR A 31 88.155 7.532 -11.617 1.00 0.00 C ATOM 418 CE2 TYR A 31 89.579 5.597 -11.280 1.00 0.00 C ATOM 419 CZ TYR A 31 88.619 6.493 -10.797 1.00 0.00 C ATOM 420 OH TYR A 31 88.144 6.363 -9.507 1.00 0.00 O ATOM 0 H TYR A 31 87.354 7.275 -14.885 1.00 0.00 H new ATOM 0 HA TYR A 31 89.616 6.914 -16.848 1.00 0.00 H new ATOM 0 HB2 TYR A 31 91.025 6.273 -14.907 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.583 7.968 -14.874 1.00 0.00 H new ATOM 0 HD1 TYR A 31 88.310 8.486 -13.530 1.00 0.00 H new ATOM 0 HD2 TYR A 31 90.805 5.043 -12.958 1.00 0.00 H new ATOM 0 HE1 TYR A 31 87.408 8.219 -11.248 1.00 0.00 H new ATOM 0 HE2 TYR A 31 89.940 4.798 -10.649 1.00 0.00 H new ATOM 0 HH TYR A 31 88.214 5.427 -9.225 1.00 0.00 H new ATOM 430 N PRO A 32 88.564 4.694 -17.106 1.00 0.00 N ATOM 431 CA PRO A 32 88.064 3.303 -17.245 1.00 0.00 C ATOM 432 C PRO A 32 89.016 2.294 -16.600 1.00 0.00 C ATOM 433 O PRO A 32 88.665 1.141 -16.430 1.00 0.00 O ATOM 434 CB PRO A 32 87.974 3.095 -18.756 1.00 0.00 C ATOM 435 CG PRO A 32 88.938 4.077 -19.329 1.00 0.00 C ATOM 436 CD PRO A 32 88.910 5.270 -18.419 1.00 0.00 C ATOM 0 HA PRO A 32 87.109 3.153 -16.742 1.00 0.00 H new ATOM 0 HB2 PRO A 32 88.237 2.074 -19.032 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.963 3.273 -19.121 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.940 3.652 -19.383 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.654 4.355 -20.344 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.874 5.778 -18.393 1.00 0.00 H new ATOM 0 HD3 PRO A 32 88.172 6.004 -18.742 1.00 0.00 H new ATOM 444 N THR A 33 90.205 2.706 -16.226 1.00 0.00 N ATOM 445 CA THR A 33 91.143 1.749 -15.580 1.00 0.00 C ATOM 446 C THR A 33 91.637 2.326 -14.250 1.00 0.00 C ATOM 447 O THR A 33 91.987 3.488 -14.160 1.00 0.00 O ATOM 448 CB THR A 33 92.303 1.593 -16.559 1.00 0.00 C ATOM 449 OG1 THR A 33 91.793 1.321 -17.858 1.00 0.00 O ATOM 450 CG2 THR A 33 93.182 0.429 -16.105 1.00 0.00 C ATOM 0 H THR A 33 90.559 3.656 -16.341 1.00 0.00 H new ATOM 0 HA THR A 33 90.671 0.791 -15.363 1.00 0.00 H new ATOM 0 HB THR A 33 92.890 2.511 -16.586 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.537 1.222 -18.488 1.00 0.00 H new ATOM 0 HG21 THR A 33 94.014 0.309 -16.799 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.568 0.633 -15.106 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.591 -0.487 -16.086 1.00 0.00 H new ATOM 458 N LEU A 34 91.670 1.523 -13.224 1.00 0.00 N ATOM 459 CA LEU A 34 92.146 2.013 -11.889 1.00 0.00 C ATOM 460 C LEU A 34 93.601 2.473 -11.993 1.00 0.00 C ATOM 461 O LEU A 34 94.455 1.721 -12.426 1.00 0.00 O ATOM 462 CB LEU A 34 92.054 0.773 -10.988 1.00 0.00 C ATOM 463 CG LEU A 34 92.512 1.112 -9.570 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.481 2.018 -8.900 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.662 -0.182 -8.762 1.00 0.00 C ATOM 0 H LEU A 34 91.388 0.543 -13.247 1.00 0.00 H new ATOM 0 HA LEU A 34 91.566 2.856 -11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.028 0.405 -10.968 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.672 -0.027 -11.395 1.00 0.00 H new ATOM 0 HG LEU A 34 93.471 1.629 -9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 34 91.810 2.258 -7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.376 2.938 -9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.520 1.506 -8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 34 92.989 0.057 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.703 -0.699 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.401 -0.825 -9.239 1.00 0.00 H new ATOM 477 N GLY A 35 93.901 3.680 -11.591 1.00 0.00 N ATOM 478 CA GLY A 35 95.319 4.150 -11.663 1.00 0.00 C ATOM 479 C GLY A 35 95.406 5.662 -11.908 1.00 0.00 C ATOM 480 O GLY A 35 96.381 6.139 -12.459 1.00 0.00 O ATOM 0 H GLY A 35 93.234 4.356 -11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.832 3.902 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.837 3.622 -12.463 1.00 0.00 H new ATOM 484 N GLU A 36 94.425 6.423 -11.492 1.00 0.00 N ATOM 485 CA GLU A 36 94.487 7.897 -11.688 1.00 0.00 C ATOM 486 C GLU A 36 93.839 8.631 -10.515 1.00 0.00 C ATOM 487 O GLU A 36 94.402 9.565 -9.976 1.00 0.00 O ATOM 488 CB GLU A 36 93.701 8.146 -12.962 1.00 0.00 C ATOM 489 CG GLU A 36 94.593 7.891 -14.172 1.00 0.00 C ATOM 490 CD GLU A 36 93.751 7.936 -15.448 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.119 6.937 -15.751 1.00 0.00 O1- ATOM 492 OE2 GLU A 36 93.755 8.965 -16.101 1.00 0.00 O ATOM 0 H GLU A 36 93.584 6.083 -11.025 1.00 0.00 H new ATOM 0 HA GLU A 36 95.514 8.258 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 36 92.829 7.493 -12.997 1.00 0.00 H new ATOM 0 HB3 GLU A 36 93.332 9.172 -12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.383 8.641 -14.219 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.080 6.920 -14.079 1.00 0.00 H new ATOM 499 N VAL A 37 92.665 8.220 -10.118 1.00 0.00 N ATOM 500 CA VAL A 37 91.987 8.905 -8.974 1.00 0.00 C ATOM 501 C VAL A 37 92.778 8.637 -7.674 1.00 0.00 C ATOM 502 O VAL A 37 93.201 9.567 -7.016 1.00 0.00 O ATOM 503 CB VAL A 37 90.558 8.320 -8.975 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.974 8.194 -7.566 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.665 9.244 -9.796 1.00 0.00 C ATOM 0 H VAL A 37 92.147 7.445 -10.532 1.00 0.00 H new ATOM 0 HA VAL A 37 91.944 9.991 -9.056 1.00 0.00 H new ATOM 0 HB VAL A 37 90.604 7.317 -9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.968 7.778 -7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.605 7.536 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.932 9.178 -7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.649 8.850 -9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.662 10.238 -9.349 1.00 0.00 H new ATOM 0 HG23 VAL A 37 90.045 9.305 -10.816 1.00 0.00 H new ATOM 515 N PRO A 38 92.987 7.378 -7.364 1.00 0.00 N ATOM 516 CA PRO A 38 93.774 7.026 -6.156 1.00 0.00 C ATOM 517 C PRO A 38 95.256 7.250 -6.446 1.00 0.00 C ATOM 518 O PRO A 38 96.042 7.574 -5.577 1.00 0.00 O ATOM 519 CB PRO A 38 93.492 5.541 -5.960 1.00 0.00 C ATOM 520 CG PRO A 38 93.105 5.024 -7.303 1.00 0.00 C ATOM 521 CD PRO A 38 92.537 6.175 -8.091 1.00 0.00 C ATOM 0 HA PRO A 38 93.518 7.618 -5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.372 5.022 -5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.692 5.386 -5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.970 4.601 -7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.369 4.226 -7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.903 6.172 -9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.449 6.124 -8.140 1.00 0.00 H new ATOM 529 N GLY A 39 95.628 7.058 -7.682 1.00 0.00 N ATOM 530 CA GLY A 39 97.045 7.226 -8.101 1.00 0.00 C ATOM 531 C GLY A 39 97.444 5.975 -8.877 1.00 0.00 C ATOM 532 O GLY A 39 97.683 6.020 -10.067 1.00 0.00 O ATOM 0 H GLY A 39 94.994 6.786 -8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 39 97.159 8.115 -8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.689 7.360 -7.232 1.00 0.00 H new ATOM 536 N PHE A 40 97.452 4.853 -8.191 1.00 0.00 N ATOM 537 CA PHE A 40 97.767 3.508 -8.803 1.00 0.00 C ATOM 538 C PHE A 40 98.080 2.458 -7.700 1.00 0.00 C ATOM 539 O PHE A 40 97.453 1.418 -7.671 1.00 0.00 O ATOM 540 CB PHE A 40 98.950 3.682 -9.806 1.00 0.00 C ATOM 541 CG PHE A 40 99.610 2.350 -10.132 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.828 1.196 -10.310 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.002 2.274 -10.253 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.442 -0.025 -10.607 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.614 1.051 -10.551 1.00 0.00 C ATOM 546 CZ PHE A 40 100.834 -0.099 -10.727 1.00 0.00 C ATOM 0 H PHE A 40 97.246 4.809 -7.193 1.00 0.00 H new ATOM 0 HA PHE A 40 96.901 3.132 -9.347 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.584 4.142 -10.724 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.690 4.361 -9.382 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.753 1.252 -10.217 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.605 3.160 -10.116 1.00 0.00 H new ATOM 0 HE1 PHE A 40 98.841 -0.912 -10.744 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.688 0.994 -10.645 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.307 -1.043 -10.955 1.00 0.00 H new ATOM 556 N PRO A 41 99.060 2.728 -6.849 1.00 0.00 N ATOM 557 CA PRO A 41 99.448 1.757 -5.800 1.00 0.00 C ATOM 558 C PRO A 41 98.799 2.080 -4.448 1.00 0.00 C ATOM 559 O PRO A 41 99.238 1.594 -3.421 1.00 0.00 O ATOM 560 CB PRO A 41 100.954 1.972 -5.702 1.00 0.00 C ATOM 561 CG PRO A 41 101.195 3.387 -6.165 1.00 0.00 C ATOM 562 CD PRO A 41 99.904 3.919 -6.752 1.00 0.00 C ATOM 0 HA PRO A 41 99.142 0.739 -6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.304 1.830 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.493 1.259 -6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.519 4.010 -5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.990 3.413 -6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.455 4.679 -6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 41 100.065 4.378 -7.727 1.00 0.00 H new ATOM 570 N ASN A 42 97.776 2.892 -4.429 1.00 0.00 N ATOM 571 CA ASN A 42 97.121 3.242 -3.134 1.00 0.00 C ATOM 572 C ASN A 42 95.627 2.954 -3.218 1.00 0.00 C ATOM 573 O ASN A 42 94.801 3.769 -2.854 1.00 0.00 O ATOM 574 CB ASN A 42 97.378 4.738 -2.951 1.00 0.00 C ATOM 575 CG ASN A 42 98.718 4.946 -2.240 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.261 4.031 -1.651 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.280 6.121 -2.267 1.00 0.00 N ATOM 0 H ASN A 42 97.365 3.328 -5.254 1.00 0.00 H new ATOM 0 HA ASN A 42 97.511 2.663 -2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.388 5.237 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.573 5.187 -2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.172 6.271 -1.795 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.828 6.891 -2.760 1.00 0.00 H new ATOM 584 N VAL A 43 95.285 1.796 -3.706 1.00 0.00 N ATOM 585 CA VAL A 43 93.853 1.424 -3.837 1.00 0.00 C ATOM 586 C VAL A 43 93.609 0.061 -3.180 1.00 0.00 C ATOM 587 O VAL A 43 94.435 -0.837 -3.243 1.00 0.00 O ATOM 588 CB VAL A 43 93.592 1.395 -5.349 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.359 0.237 -6.007 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.091 1.242 -5.604 1.00 0.00 C ATOM 0 H VAL A 43 95.944 1.085 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 43 93.179 2.122 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 43 93.941 2.330 -5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.162 0.232 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.428 0.365 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.032 -0.708 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.905 1.221 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.739 0.313 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.559 2.083 -5.160 1.00 0.00 H new ATOM 600 N GLY A 44 92.480 -0.084 -2.541 1.00 0.00 N ATOM 601 CA GLY A 44 92.156 -1.367 -1.861 1.00 0.00 C ATOM 602 C GLY A 44 90.672 -1.384 -1.491 1.00 0.00 C ATOM 603 O GLY A 44 89.993 -0.380 -1.572 1.00 0.00 O ATOM 0 H GLY A 44 91.764 0.638 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.389 -2.207 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.767 -1.481 -0.966 1.00 0.00 H new ATOM 607 N GLY A 45 90.178 -2.517 -1.059 1.00 0.00 N ATOM 608 CA GLY A 45 88.747 -2.610 -0.657 1.00 0.00 C ATOM 609 C GLY A 45 88.619 -2.130 0.785 1.00 0.00 C ATOM 610 O GLY A 45 89.583 -2.139 1.527 1.00 0.00 O ATOM 0 H GLY A 45 90.709 -3.383 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.128 -2.001 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.394 -3.637 -0.747 1.00 0.00 H new ATOM 614 N ILE A 46 87.444 -1.726 1.197 1.00 0.00 N ATOM 615 CA ILE A 46 87.270 -1.258 2.604 1.00 0.00 C ATOM 616 C ILE A 46 85.844 -1.597 3.108 1.00 0.00 C ATOM 617 O ILE A 46 84.940 -1.791 2.320 1.00 0.00 O ATOM 618 CB ILE A 46 87.530 0.256 2.559 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.585 0.923 1.553 1.00 0.00 C ATOM 620 CG2 ILE A 46 88.980 0.514 2.140 1.00 0.00 C ATOM 621 CD1 ILE A 46 85.976 2.183 2.175 1.00 0.00 C ATOM 0 H ILE A 46 86.602 -1.700 0.622 1.00 0.00 H new ATOM 0 HA ILE A 46 87.953 -1.746 3.300 1.00 0.00 H new ATOM 0 HB ILE A 46 87.353 0.676 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.129 1.181 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.795 0.229 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.164 1.588 2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.655 0.051 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.155 0.087 1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.305 2.655 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.417 1.913 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.772 2.879 2.440 1.00 0.00 H new ATOM 633 N PRO A 47 85.704 -1.696 4.417 1.00 0.00 N ATOM 634 CA PRO A 47 84.391 -2.065 5.051 1.00 0.00 C ATOM 635 C PRO A 47 83.282 -1.003 4.900 1.00 0.00 C ATOM 636 O PRO A 47 82.139 -1.278 5.217 1.00 0.00 O ATOM 637 CB PRO A 47 84.753 -2.199 6.534 1.00 0.00 C ATOM 638 CG PRO A 47 85.960 -1.344 6.708 1.00 0.00 C ATOM 639 CD PRO A 47 86.744 -1.476 5.439 1.00 0.00 C ATOM 0 HA PRO A 47 83.979 -2.957 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.936 -1.865 7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.961 -3.236 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.680 -0.306 6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.548 -1.669 7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.328 -0.579 5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.445 -2.309 5.485 1.00 0.00 H new ATOM 647 N ASP A 48 83.584 0.202 4.476 1.00 0.00 N ATOM 648 CA ASP A 48 82.503 1.246 4.383 1.00 0.00 C ATOM 649 C ASP A 48 81.917 1.371 2.970 1.00 0.00 C ATOM 650 O ASP A 48 81.316 2.373 2.629 1.00 0.00 O ATOM 651 CB ASP A 48 83.166 2.551 4.818 1.00 0.00 C ATOM 652 CG ASP A 48 83.463 2.498 6.322 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.746 1.807 7.030 1.00 0.00 O ATOM 654 OD2 ASP A 48 84.405 3.147 6.741 1.00 0.00 O1- ATOM 0 H ASP A 48 84.515 0.508 4.194 1.00 0.00 H new ATOM 0 HA ASP A 48 81.656 0.979 5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.089 2.706 4.260 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.513 3.395 4.595 1.00 0.00 H new ATOM 659 N ILE A 49 82.062 0.359 2.162 1.00 0.00 N ATOM 660 CA ILE A 49 81.488 0.399 0.779 1.00 0.00 C ATOM 661 C ILE A 49 80.325 -0.595 0.698 1.00 0.00 C ATOM 662 O ILE A 49 80.443 -1.734 1.111 1.00 0.00 O ATOM 663 CB ILE A 49 82.641 -0.004 -0.141 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.801 0.991 0.035 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.172 -0.008 -1.602 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.377 2.411 -0.353 1.00 0.00 C ATOM 0 H ILE A 49 82.556 -0.502 2.397 1.00 0.00 H new ATOM 0 HA ILE A 49 81.095 1.376 0.499 1.00 0.00 H new ATOM 0 HB ILE A 49 82.979 -1.007 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.139 0.980 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.646 0.680 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.000 -0.296 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.355 -0.720 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.827 0.989 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.218 3.091 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.063 2.425 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 49 82.548 2.729 0.279 1.00 0.00 H new ATOM 678 N ALA A 50 79.189 -0.160 0.203 1.00 0.00 N ATOM 679 CA ALA A 50 77.999 -1.064 0.131 1.00 0.00 C ATOM 680 C ALA A 50 78.038 -1.973 -1.091 1.00 0.00 C ATOM 681 O ALA A 50 77.822 -3.166 -0.974 1.00 0.00 O ATOM 682 CB ALA A 50 76.793 -0.125 0.056 1.00 0.00 C ATOM 0 H ALA A 50 79.036 0.783 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 50 77.964 -1.731 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.877 -0.713 0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.766 0.505 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.875 0.503 -0.831 1.00 0.00 H new ATOM 688 N GLY A 51 78.297 -1.440 -2.256 1.00 0.00 N ATOM 689 CA GLY A 51 78.326 -2.319 -3.456 1.00 0.00 C ATOM 690 C GLY A 51 78.361 -1.500 -4.746 1.00 0.00 C ATOM 691 O GLY A 51 79.186 -0.628 -4.932 1.00 0.00 O ATOM 0 H GLY A 51 78.486 -0.452 -2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.200 -2.969 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.448 -2.965 -3.457 1.00 0.00 H new ATOM 695 N TRP A 52 77.474 -1.813 -5.649 1.00 0.00 N ATOM 696 CA TRP A 52 77.417 -1.121 -6.974 1.00 0.00 C ATOM 697 C TRP A 52 77.416 0.406 -6.849 1.00 0.00 C ATOM 698 O TRP A 52 77.818 1.097 -7.772 1.00 0.00 O ATOM 699 CB TRP A 52 76.097 -1.573 -7.600 1.00 0.00 C ATOM 700 CG TRP A 52 76.082 -1.155 -9.035 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.869 -1.682 -9.999 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.268 -0.134 -9.682 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.592 -1.051 -11.198 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.611 -0.090 -11.054 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.275 0.748 -9.220 1.00 0.00 C ATOM 706 CZ2 TRP A 52 74.994 0.798 -11.936 1.00 0.00 C ATOM 707 CZ3 TRP A 52 73.650 1.643 -10.105 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.010 1.667 -11.460 1.00 0.00 C ATOM 0 H TRP A 52 76.767 -2.538 -5.523 1.00 0.00 H new ATOM 0 HA TRP A 52 78.295 -1.375 -7.568 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.991 -2.655 -7.520 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.255 -1.130 -7.068 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.596 -2.468 -9.856 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.055 -1.269 -12.080 1.00 0.00 H new ATOM 0 HE3 TRP A 52 73.991 0.738 -8.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.275 0.813 -12.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 72.888 2.316 -9.740 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.526 2.357 -12.135 1.00 0.00 H new ATOM 719 N ASP A 53 76.973 0.947 -5.740 1.00 0.00 N ATOM 720 CA ASP A 53 76.950 2.431 -5.597 1.00 0.00 C ATOM 721 C ASP A 53 77.208 2.831 -4.142 1.00 0.00 C ATOM 722 O ASP A 53 76.318 3.274 -3.440 1.00 0.00 O ATOM 723 CB ASP A 53 75.542 2.842 -6.037 1.00 0.00 C ATOM 724 CG ASP A 53 75.392 4.363 -5.941 1.00 0.00 C ATOM 725 OD1 ASP A 53 75.895 5.043 -6.819 1.00 0.00 O1- ATOM 726 OD2 ASP A 53 74.780 4.819 -4.990 1.00 0.00 O ATOM 0 H ASP A 53 76.629 0.426 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 53 77.722 2.919 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.360 2.513 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.797 2.354 -5.408 1.00 0.00 H new ATOM 731 N SER A 54 78.419 2.661 -3.692 1.00 0.00 N ATOM 732 CA SER A 54 78.761 3.006 -2.277 1.00 0.00 C ATOM 733 C SER A 54 78.743 4.529 -2.059 1.00 0.00 C ATOM 734 O SER A 54 79.350 5.257 -2.819 1.00 0.00 O ATOM 735 CB SER A 54 80.174 2.466 -2.071 1.00 0.00 C ATOM 736 OG SER A 54 80.725 3.036 -0.891 1.00 0.00 O ATOM 0 H SER A 54 79.195 2.296 -4.245 1.00 0.00 H new ATOM 0 HA SER A 54 78.043 2.581 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.152 1.379 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.798 2.708 -2.932 1.00 0.00 H new ATOM 0 HG SER A 54 80.035 3.082 -0.197 1.00 0.00 H new ATOM 742 N PRO A 55 78.057 4.975 -1.022 1.00 0.00 N ATOM 743 CA PRO A 55 77.995 6.432 -0.737 1.00 0.00 C ATOM 744 C PRO A 55 79.355 6.943 -0.243 1.00 0.00 C ATOM 745 O PRO A 55 79.647 8.121 -0.320 1.00 0.00 O ATOM 746 CB PRO A 55 76.935 6.545 0.356 1.00 0.00 C ATOM 747 CG PRO A 55 76.920 5.208 1.020 1.00 0.00 C ATOM 748 CD PRO A 55 77.292 4.196 -0.032 1.00 0.00 C ATOM 0 HA PRO A 55 77.752 7.028 -1.617 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.182 7.335 1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 55 75.959 6.788 -0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.626 5.180 1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 55 75.935 4.992 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.890 3.386 0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.408 3.741 -0.479 1.00 0.00 H new ATOM 756 N SER A 56 80.187 6.063 0.263 1.00 0.00 N ATOM 757 CA SER A 56 81.528 6.487 0.764 1.00 0.00 C ATOM 758 C SER A 56 82.617 6.222 -0.287 1.00 0.00 C ATOM 759 O SER A 56 83.795 6.266 0.014 1.00 0.00 O ATOM 760 CB SER A 56 81.770 5.632 2.008 1.00 0.00 C ATOM 761 OG SER A 56 81.125 6.233 3.122 1.00 0.00 O ATOM 0 H SER A 56 79.991 5.066 0.350 1.00 0.00 H new ATOM 0 HA SER A 56 81.561 7.555 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.386 4.624 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.839 5.540 2.198 1.00 0.00 H new ATOM 0 HG SER A 56 81.276 5.687 3.921 1.00 0.00 H new ATOM 767 N CYS A 57 82.239 5.945 -1.512 1.00 0.00 N ATOM 768 CA CYS A 57 83.260 5.681 -2.575 1.00 0.00 C ATOM 769 C CYS A 57 83.988 6.978 -2.946 1.00 0.00 C ATOM 770 O CYS A 57 83.412 8.050 -2.928 1.00 0.00 O ATOM 771 CB CYS A 57 82.462 5.155 -3.773 1.00 0.00 C ATOM 772 SG CYS A 57 83.442 3.942 -4.689 1.00 0.00 S ATOM 0 H CYS A 57 81.269 5.890 -1.821 1.00 0.00 H new ATOM 0 HA CYS A 57 84.020 4.972 -2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.534 4.699 -3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.188 5.982 -4.428 1.00 0.00 H new ATOM 777 N GLY A 58 85.245 6.882 -3.300 1.00 0.00 N ATOM 778 CA GLY A 58 86.016 8.101 -3.696 1.00 0.00 C ATOM 779 C GLY A 58 86.398 8.914 -2.458 1.00 0.00 C ATOM 780 O GLY A 58 86.430 10.130 -2.491 1.00 0.00 O ATOM 0 H GLY A 58 85.772 6.009 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 58 86.915 7.810 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.419 8.714 -4.372 1.00 0.00 H new ATOM 784 N THR A 59 86.689 8.253 -1.370 1.00 0.00 N ATOM 785 CA THR A 59 87.074 8.979 -0.122 1.00 0.00 C ATOM 786 C THR A 59 88.487 8.579 0.317 1.00 0.00 C ATOM 787 O THR A 59 88.866 7.424 0.295 1.00 0.00 O ATOM 788 CB THR A 59 86.027 8.577 0.920 1.00 0.00 C ATOM 789 OG1 THR A 59 84.741 8.974 0.465 1.00 0.00 O ATOM 790 CG2 THR A 59 86.330 9.266 2.253 1.00 0.00 C ATOM 0 H THR A 59 86.677 7.236 -1.290 1.00 0.00 H new ATOM 0 HA THR A 59 87.095 10.060 -0.263 1.00 0.00 H new ATOM 0 HB THR A 59 86.052 7.497 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.220 8.180 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.582 8.976 2.991 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.318 8.966 2.601 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.306 10.347 2.117 1.00 0.00 H new ATOM 798 N CYS A 60 89.269 9.559 0.678 1.00 0.00 N ATOM 799 CA CYS A 60 90.688 9.311 1.090 1.00 0.00 C ATOM 800 C CYS A 60 90.787 8.791 2.527 1.00 0.00 C ATOM 801 O CYS A 60 90.032 9.182 3.395 1.00 0.00 O ATOM 802 CB CYS A 60 91.358 10.688 1.004 1.00 0.00 C ATOM 803 SG CYS A 60 92.237 10.843 -0.564 1.00 0.00 S ATOM 0 H CYS A 60 88.984 10.538 0.707 1.00 0.00 H new ATOM 0 HA CYS A 60 91.153 8.556 0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.607 11.474 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.052 10.818 1.835 1.00 0.00 H new ATOM 808 N TRP A 61 91.742 7.931 2.779 1.00 0.00 N ATOM 809 CA TRP A 61 91.940 7.396 4.159 1.00 0.00 C ATOM 810 C TRP A 61 93.424 7.106 4.387 1.00 0.00 C ATOM 811 O TRP A 61 94.117 6.675 3.486 1.00 0.00 O ATOM 812 CB TRP A 61 91.119 6.108 4.209 1.00 0.00 C ATOM 813 CG TRP A 61 89.676 6.458 4.071 1.00 0.00 C ATOM 814 CD1 TRP A 61 88.917 6.203 2.983 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.812 7.131 5.029 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.642 6.685 3.209 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.527 7.265 4.456 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.016 7.635 6.328 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.481 7.880 5.142 1.00 0.00 C ATOM 820 CZ3 TRP A 61 87.964 8.250 7.022 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.699 8.373 6.431 1.00 0.00 C ATOM 0 H TRP A 61 92.397 7.575 2.083 1.00 0.00 H new ATOM 0 HA TRP A 61 91.627 8.098 4.932 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.423 5.434 3.408 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.293 5.585 5.149 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.251 5.705 2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.878 6.620 2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 61 89.987 7.547 6.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.509 7.975 4.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.130 8.631 8.019 1.00 0.00 H new ATOM 0 HH2 TRP A 61 85.894 8.848 6.971 1.00 0.00 H new ATOM 832 N LYS A 62 93.918 7.329 5.577 1.00 0.00 N ATOM 833 CA LYS A 62 95.360 7.055 5.852 1.00 0.00 C ATOM 834 C LYS A 62 95.475 5.805 6.724 1.00 0.00 C ATOM 835 O LYS A 62 94.741 5.647 7.680 1.00 0.00 O ATOM 836 CB LYS A 62 95.874 8.291 6.595 1.00 0.00 C ATOM 837 CG LYS A 62 97.361 8.114 6.919 1.00 0.00 C ATOM 838 CD LYS A 62 97.880 9.347 7.662 1.00 0.00 C ATOM 839 CE LYS A 62 99.367 9.161 7.981 1.00 0.00 C ATOM 840 NZ LYS A 62 99.837 10.503 8.426 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.386 7.689 6.370 1.00 0.00 H new ATOM 0 HA LYS A 62 95.937 6.875 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.728 9.182 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.306 8.438 7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.506 7.223 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.928 7.967 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.736 10.239 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.315 9.495 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.513 8.413 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.919 8.820 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.849 10.456 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.692 11.193 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 99.299 10.799 9.265 1.00 0.00 H new ATOM 854 N VAL A 63 96.375 4.911 6.397 1.00 0.00 N ATOM 855 CA VAL A 63 96.516 3.663 7.207 1.00 0.00 C ATOM 856 C VAL A 63 97.832 3.687 7.992 1.00 0.00 C ATOM 857 O VAL A 63 98.898 3.840 7.430 1.00 0.00 O ATOM 858 CB VAL A 63 96.506 2.514 6.190 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.646 1.174 6.917 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.191 2.531 5.404 1.00 0.00 C ATOM 0 H VAL A 63 97.016 4.991 5.607 1.00 0.00 H new ATOM 0 HA VAL A 63 95.715 3.555 7.939 1.00 0.00 H new ATOM 0 HB VAL A 63 97.343 2.641 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.638 0.363 6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.585 1.156 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.814 1.048 7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.188 1.714 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.354 2.411 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.094 3.480 4.877 1.00 0.00 H new ATOM 870 N THR A 64 97.748 3.555 9.292 1.00 0.00 N ATOM 871 CA THR A 64 98.965 3.584 10.159 1.00 0.00 C ATOM 872 C THR A 64 99.123 2.251 10.903 1.00 0.00 C ATOM 873 O THR A 64 98.153 1.673 11.362 1.00 0.00 O ATOM 874 CB THR A 64 98.687 4.709 11.159 1.00 0.00 C ATOM 875 OG1 THR A 64 98.344 5.892 10.451 1.00 0.00 O ATOM 876 CG2 THR A 64 99.935 4.966 12.006 1.00 0.00 C ATOM 0 H THR A 64 96.871 3.426 9.797 1.00 0.00 H new ATOM 0 HA THR A 64 99.880 3.741 9.587 1.00 0.00 H new ATOM 0 HB THR A 64 97.863 4.419 11.811 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.164 6.614 11.089 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.734 5.767 12.717 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.200 4.058 12.548 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.762 5.256 11.357 1.00 0.00 H new ATOM 884 N ILE A 65 100.333 1.757 11.019 1.00 0.00 N ATOM 885 CA ILE A 65 100.546 0.452 11.727 1.00 0.00 C ATOM 886 C ILE A 65 101.470 0.634 12.950 1.00 0.00 C ATOM 887 O ILE A 65 102.126 1.648 13.077 1.00 0.00 O ATOM 888 CB ILE A 65 101.180 -0.469 10.675 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.491 0.140 10.170 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.215 -0.641 9.500 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.343 -0.956 9.526 1.00 0.00 C ATOM 0 H ILE A 65 101.179 2.197 10.657 1.00 0.00 H new ATOM 0 HA ILE A 65 99.617 0.037 12.117 1.00 0.00 H new ATOM 0 HB ILE A 65 101.385 -1.439 11.127 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.284 0.928 9.446 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.033 0.600 10.996 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.665 -1.295 8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.284 -1.083 9.855 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.008 0.332 9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.277 -0.526 9.165 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.560 -1.729 10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 65 102.799 -1.395 8.690 1.00 0.00 H new ATOM 903 N PRO A 66 101.476 -0.356 13.831 1.00 0.00 N ATOM 904 CA PRO A 66 102.310 -0.292 15.071 1.00 0.00 C ATOM 905 C PRO A 66 103.809 -0.170 14.773 1.00 0.00 C ATOM 906 O PRO A 66 104.566 0.319 15.592 1.00 0.00 O ATOM 907 CB PRO A 66 101.997 -1.617 15.775 1.00 0.00 C ATOM 908 CG PRO A 66 101.516 -2.514 14.691 1.00 0.00 C ATOM 909 CD PRO A 66 100.731 -1.629 13.768 1.00 0.00 C ATOM 0 HA PRO A 66 102.080 0.589 15.671 1.00 0.00 H new ATOM 0 HB2 PRO A 66 102.882 -2.025 16.263 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.239 -1.486 16.547 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.350 -2.985 14.170 1.00 0.00 H new ATOM 0 HG3 PRO A 66 100.895 -3.316 15.090 1.00 0.00 H new ATOM 0 HD2 PRO A 66 100.697 -2.029 12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.699 -1.512 14.099 1.00 0.00 H new ATOM 917 N ASN A 67 104.247 -0.604 13.619 1.00 0.00 N ATOM 918 CA ASN A 67 105.704 -0.503 13.282 1.00 0.00 C ATOM 919 C ASN A 67 106.108 0.970 13.173 1.00 0.00 C ATOM 920 O ASN A 67 107.191 1.365 13.563 1.00 0.00 O ATOM 921 CB ASN A 67 105.858 -1.208 11.934 1.00 0.00 C ATOM 922 CG ASN A 67 107.339 -1.488 11.668 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.067 -1.868 12.562 1.00 0.00 O ATOM 924 ND2 ASN A 67 107.817 -1.317 10.465 1.00 0.00 N ATOM 0 H ASN A 67 103.663 -1.023 12.896 1.00 0.00 H new ATOM 0 HA ASN A 67 106.339 -0.956 14.043 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.295 -2.141 11.934 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.446 -0.587 11.138 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.802 -1.503 10.276 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.205 -0.998 9.714 1.00 0.00 H new ATOM 931 N GLY A 68 105.225 1.777 12.653 1.00 0.00 N ATOM 932 CA GLY A 68 105.515 3.234 12.519 1.00 0.00 C ATOM 933 C GLY A 68 105.645 3.605 11.044 1.00 0.00 C ATOM 934 O GLY A 68 106.688 4.038 10.590 1.00 0.00 O ATOM 0 H GLY A 68 104.308 1.488 12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.717 3.816 12.980 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.436 3.480 13.047 1.00 0.00 H new ATOM 938 N ASN A 69 104.585 3.453 10.302 1.00 0.00 N ATOM 939 CA ASN A 69 104.611 3.809 8.856 1.00 0.00 C ATOM 940 C ASN A 69 103.176 3.917 8.345 1.00 0.00 C ATOM 941 O ASN A 69 102.275 3.306 8.898 1.00 0.00 O ATOM 942 CB ASN A 69 105.348 2.658 8.170 1.00 0.00 C ATOM 943 CG ASN A 69 105.661 3.041 6.722 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.745 4.209 6.395 1.00 0.00 O ATOM 945 ND2 ASN A 69 105.835 2.102 5.835 1.00 0.00 N ATOM 0 H ASN A 69 103.692 3.093 10.639 1.00 0.00 H new ATOM 0 HA ASN A 69 105.103 4.762 8.662 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.271 2.433 8.705 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.737 1.756 8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.042 2.347 4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 69 105.765 1.122 6.109 1.00 0.00 H new ATOM 952 N SER A 70 102.942 4.690 7.312 1.00 0.00 N ATOM 953 CA SER A 70 101.547 4.820 6.804 1.00 0.00 C ATOM 954 C SER A 70 101.494 5.221 5.328 1.00 0.00 C ATOM 955 O SER A 70 102.418 5.786 4.776 1.00 0.00 O ATOM 956 CB SER A 70 100.908 5.902 7.672 1.00 0.00 C ATOM 957 OG SER A 70 101.584 7.134 7.460 1.00 0.00 O ATOM 0 H SER A 70 103.647 5.228 6.807 1.00 0.00 H new ATOM 0 HA SER A 70 101.025 3.865 6.864 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.852 6.006 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.963 5.620 8.724 1.00 0.00 H new ATOM 0 HG SER A 70 101.683 7.604 8.314 1.00 0.00 H new ATOM 963 N ILE A 71 100.383 4.934 4.706 1.00 0.00 N ATOM 964 CA ILE A 71 100.158 5.272 3.272 1.00 0.00 C ATOM 965 C ILE A 71 98.715 5.757 3.113 1.00 0.00 C ATOM 966 O ILE A 71 97.911 5.583 4.010 1.00 0.00 O ATOM 967 CB ILE A 71 100.376 3.963 2.502 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.403 2.887 2.990 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.810 3.478 2.709 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.469 1.684 2.047 1.00 0.00 C ATOM 0 H ILE A 71 99.595 4.462 5.150 1.00 0.00 H new ATOM 0 HA ILE A 71 100.824 6.054 2.907 1.00 0.00 H new ATOM 0 HB ILE A 71 100.198 4.148 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.658 2.583 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.389 3.284 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.962 2.548 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.506 4.233 2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.986 3.306 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.778 0.914 2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.194 1.996 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.483 1.283 2.039 1.00 0.00 H new ATOM 982 N PHE A 72 98.369 6.355 1.998 1.00 0.00 N ATOM 983 CA PHE A 72 96.960 6.827 1.842 1.00 0.00 C ATOM 984 C PHE A 72 96.206 5.889 0.899 1.00 0.00 C ATOM 985 O PHE A 72 96.637 5.633 -0.208 1.00 0.00 O ATOM 986 CB PHE A 72 97.051 8.228 1.232 1.00 0.00 C ATOM 987 CG PHE A 72 97.837 9.139 2.142 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.228 9.701 3.270 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.175 9.426 1.850 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.959 10.550 4.109 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.906 10.276 2.688 1.00 0.00 C ATOM 992 CZ PHE A 72 99.298 10.838 3.817 1.00 0.00 C ATOM 0 H PHE A 72 98.987 6.533 1.206 1.00 0.00 H new ATOM 0 HA PHE A 72 96.428 6.842 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.529 8.177 0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.050 8.631 1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.195 9.480 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.643 8.992 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.491 10.983 4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.939 10.498 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.862 11.494 4.463 1.00 0.00 H new ATOM 1002 N ILE A 73 95.092 5.369 1.340 1.00 0.00 N ATOM 1003 CA ILE A 73 94.302 4.436 0.483 1.00 0.00 C ATOM 1004 C ILE A 73 92.923 5.037 0.205 1.00 0.00 C ATOM 1005 O ILE A 73 92.235 5.469 1.114 1.00 0.00 O ATOM 1006 CB ILE A 73 94.187 3.143 1.303 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.592 2.585 1.596 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.377 2.103 0.519 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.333 2.277 0.287 1.00 0.00 C ATOM 0 H ILE A 73 94.693 5.551 2.261 1.00 0.00 H new ATOM 0 HA ILE A 73 94.769 4.253 -0.485 1.00 0.00 H new ATOM 0 HB ILE A 73 93.682 3.361 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.161 3.307 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.512 1.679 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.298 1.187 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.379 2.494 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.878 1.888 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.324 1.884 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.771 1.538 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.431 3.191 -0.299 1.00 0.00 H new ATOM 1021 N ARG A 74 92.516 5.073 -1.037 1.00 0.00 N ATOM 1022 CA ARG A 74 91.182 5.646 -1.371 1.00 0.00 C ATOM 1023 C ARG A 74 90.171 4.514 -1.553 1.00 0.00 C ATOM 1024 O ARG A 74 90.473 3.481 -2.121 1.00 0.00 O ATOM 1025 CB ARG A 74 91.402 6.414 -2.675 1.00 0.00 C ATOM 1026 CG ARG A 74 90.094 7.057 -3.132 1.00 0.00 C ATOM 1027 CD ARG A 74 90.184 7.385 -4.627 1.00 0.00 C ATOM 1028 NE ARG A 74 89.218 6.459 -5.288 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.640 5.344 -5.821 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.170 4.419 -5.068 1.00 0.00 N ATOM 1031 NH2 ARG A 74 89.529 5.152 -7.107 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.052 4.730 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 74 90.787 6.296 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.163 7.181 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.773 5.739 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.259 6.381 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 74 89.903 7.965 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 74 89.925 8.426 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 74 91.196 7.234 -5.003 1.00 0.00 H new ATOM 0 HE ARG A 74 88.227 6.697 -5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 74 90.255 4.567 -4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.499 3.548 -5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 74 89.113 5.873 -7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.859 4.281 -7.523 1.00 0.00 H new ATOM 1045 N GLY A 75 88.973 4.703 -1.060 1.00 0.00 N ATOM 1046 CA GLY A 75 87.929 3.643 -1.180 1.00 0.00 C ATOM 1047 C GLY A 75 87.667 3.329 -2.653 1.00 0.00 C ATOM 1048 O GLY A 75 87.759 4.186 -3.511 1.00 0.00 O ATOM 0 H GLY A 75 88.673 5.550 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.253 2.742 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.007 3.973 -0.701 1.00 0.00 H new ATOM 1052 N VAL A 76 87.331 2.103 -2.940 1.00 0.00 N ATOM 1053 CA VAL A 76 87.042 1.685 -4.345 1.00 0.00 C ATOM 1054 C VAL A 76 86.120 0.446 -4.343 1.00 0.00 C ATOM 1055 O VAL A 76 85.189 0.361 -5.122 1.00 0.00 O ATOM 1056 CB VAL A 76 88.426 1.395 -4.975 1.00 0.00 C ATOM 1057 CG1 VAL A 76 88.965 0.021 -4.552 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.302 1.441 -6.501 1.00 0.00 C ATOM 0 H VAL A 76 87.242 1.358 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 76 86.515 2.447 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 76 89.125 2.154 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 76 89.938 -0.146 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.068 -0.011 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.272 -0.756 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.274 1.238 -6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.585 0.689 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.959 2.429 -6.809 1.00 0.00 H new ATOM 1068 N ASP A 77 86.358 -0.499 -3.464 1.00 0.00 N ATOM 1069 CA ASP A 77 85.495 -1.718 -3.391 1.00 0.00 C ATOM 1070 C ASP A 77 85.149 -2.021 -1.930 1.00 0.00 C ATOM 1071 O ASP A 77 85.615 -1.355 -1.028 1.00 0.00 O ATOM 1072 CB ASP A 77 86.327 -2.851 -3.989 1.00 0.00 C ATOM 1073 CG ASP A 77 85.410 -3.779 -4.796 1.00 0.00 C ATOM 1074 OD1 ASP A 77 84.331 -4.080 -4.312 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 85.799 -4.167 -5.887 1.00 0.00 O ATOM 0 H ASP A 77 87.121 -0.476 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 77 84.556 -1.588 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 77 87.109 -2.445 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 77 86.824 -3.411 -3.197 1.00 0.00 H new ATOM 1080 N SER A 78 84.316 -3.006 -1.694 1.00 0.00 N ATOM 1081 CA SER A 78 83.918 -3.341 -0.289 1.00 0.00 C ATOM 1082 C SER A 78 84.636 -4.596 0.214 1.00 0.00 C ATOM 1083 O SER A 78 85.045 -5.445 -0.555 1.00 0.00 O ATOM 1084 CB SER A 78 82.411 -3.580 -0.354 1.00 0.00 C ATOM 1085 OG SER A 78 81.959 -4.083 0.897 1.00 0.00 O ATOM 0 H SER A 78 83.894 -3.593 -2.414 1.00 0.00 H new ATOM 0 HA SER A 78 84.186 -2.542 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.894 -2.651 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.178 -4.288 -1.149 1.00 0.00 H new ATOM 0 HG SER A 78 81.339 -3.441 1.303 1.00 0.00 H new ATOM 1091 N GLY A 79 84.786 -4.708 1.512 1.00 0.00 N ATOM 1092 CA GLY A 79 85.472 -5.895 2.096 1.00 0.00 C ATOM 1093 C GLY A 79 84.547 -6.580 3.106 1.00 0.00 C ATOM 1094 O GLY A 79 83.757 -5.942 3.775 1.00 0.00 O ATOM 0 H GLY A 79 84.459 -4.022 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.745 -6.594 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.397 -5.589 2.585 1.00 0.00 H new ATOM 1098 N ARG A 80 84.652 -7.876 3.221 1.00 0.00 N ATOM 1099 CA ARG A 80 83.799 -8.631 4.191 1.00 0.00 C ATOM 1100 C ARG A 80 84.045 -8.144 5.624 1.00 0.00 C ATOM 1101 O ARG A 80 83.127 -8.019 6.412 1.00 0.00 O ATOM 1102 CB ARG A 80 84.238 -10.090 4.052 1.00 0.00 C ATOM 1103 CG ARG A 80 83.784 -10.637 2.698 1.00 0.00 C ATOM 1104 CD ARG A 80 84.226 -12.098 2.561 1.00 0.00 C ATOM 1105 NE ARG A 80 83.862 -12.479 1.170 1.00 0.00 N ATOM 1106 CZ ARG A 80 83.630 -13.729 0.873 1.00 0.00 C ATOM 1107 NH1 ARG A 80 84.453 -14.659 1.272 1.00 0.00 N ATOM 1108 NH2 ARG A 80 82.573 -14.049 0.178 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.298 -8.452 2.680 1.00 0.00 H new ATOM 0 HA ARG A 80 82.737 -8.494 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.322 -10.164 4.140 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.811 -10.687 4.858 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.700 -10.564 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.210 -10.040 1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.297 -12.204 2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.722 -12.733 3.289 1.00 0.00 H new ATOM 0 HE ARG A 80 83.794 -11.763 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 80 85.279 -14.410 1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 80 84.271 -15.635 1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 80 81.928 -13.323 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 80 82.392 -15.026 -0.054 1.00 0.00 H new ATOM 1122 N GLY A 81 85.281 -7.875 5.960 1.00 0.00 N ATOM 1123 CA GLY A 81 85.591 -7.403 7.344 1.00 0.00 C ATOM 1124 C GLY A 81 87.080 -7.092 7.486 1.00 0.00 C ATOM 1125 O GLY A 81 87.814 -7.822 8.126 1.00 0.00 O ATOM 0 H GLY A 81 86.086 -7.961 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.005 -6.512 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.303 -8.166 8.067 1.00 0.00 H new ATOM 1129 N GLY A 82 87.522 -6.003 6.913 1.00 0.00 N ATOM 1130 CA GLY A 82 88.961 -5.633 7.040 1.00 0.00 C ATOM 1131 C GLY A 82 89.446 -4.933 5.773 1.00 0.00 C ATOM 1132 O GLY A 82 89.009 -5.228 4.677 1.00 0.00 O ATOM 0 H GLY A 82 86.952 -5.358 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.100 -4.978 7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.558 -6.527 7.220 1.00 0.00 H new ATOM 1136 N PHE A 83 90.361 -4.018 5.929 1.00 0.00 N ATOM 1137 CA PHE A 83 90.917 -3.285 4.752 1.00 0.00 C ATOM 1138 C PHE A 83 91.839 -4.191 3.946 1.00 0.00 C ATOM 1139 O PHE A 83 92.677 -4.880 4.492 1.00 0.00 O ATOM 1140 CB PHE A 83 91.722 -2.130 5.348 1.00 0.00 C ATOM 1141 CG PHE A 83 90.791 -1.000 5.694 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.034 -1.045 6.870 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.677 0.091 4.828 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.165 0.005 7.179 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.807 1.139 5.136 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.052 1.096 6.310 1.00 0.00 C ATOM 0 H PHE A 83 90.753 -3.742 6.830 1.00 0.00 H new ATOM 0 HA PHE A 83 90.130 -2.943 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.254 -2.464 6.239 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.475 -1.791 4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.121 -1.889 7.538 1.00 0.00 H new ATOM 0 HD2 PHE A 83 91.262 0.124 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 83 88.581 -0.026 8.087 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.718 1.982 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.379 1.907 6.548 1.00 0.00 H new ATOM 1156 N ASN A 84 91.702 -4.174 2.647 1.00 0.00 N ATOM 1157 CA ASN A 84 92.586 -5.012 1.794 1.00 0.00 C ATOM 1158 C ASN A 84 93.175 -4.115 0.705 1.00 0.00 C ATOM 1159 O ASN A 84 92.454 -3.364 0.081 1.00 0.00 O ATOM 1160 CB ASN A 84 91.666 -6.076 1.196 1.00 0.00 C ATOM 1161 CG ASN A 84 92.385 -7.424 1.185 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.510 -7.520 0.742 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.779 -8.476 1.663 1.00 0.00 N ATOM 0 H ASN A 84 91.015 -3.615 2.142 1.00 0.00 H new ATOM 0 HA ASN A 84 93.412 -5.475 2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.747 -6.147 1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 84 91.380 -5.796 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.251 -9.380 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 84 90.833 -8.394 2.035 1.00 0.00 H new ATOM 1170 N VAL A 85 94.464 -4.149 0.490 1.00 0.00 N ATOM 1171 CA VAL A 85 95.058 -3.243 -0.544 1.00 0.00 C ATOM 1172 C VAL A 85 95.997 -3.999 -1.483 1.00 0.00 C ATOM 1173 O VAL A 85 96.285 -5.162 -1.288 1.00 0.00 O ATOM 1174 CB VAL A 85 95.838 -2.191 0.255 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.877 -1.420 1.160 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.905 -2.875 1.119 1.00 0.00 C ATOM 0 H VAL A 85 95.125 -4.755 0.976 1.00 0.00 H new ATOM 0 HA VAL A 85 94.287 -2.804 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 85 96.321 -1.504 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.432 -0.673 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.121 -0.925 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.392 -2.112 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.454 -2.121 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.424 -3.567 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.595 -3.423 0.478 1.00 0.00 H new ATOM 1186 N ASN A 86 96.478 -3.337 -2.506 1.00 0.00 N ATOM 1187 CA ASN A 86 97.411 -4.010 -3.465 1.00 0.00 C ATOM 1188 C ASN A 86 98.610 -4.598 -2.704 1.00 0.00 C ATOM 1189 O ASN A 86 98.979 -4.088 -1.664 1.00 0.00 O ATOM 1190 CB ASN A 86 97.892 -2.902 -4.405 1.00 0.00 C ATOM 1191 CG ASN A 86 96.736 -2.427 -5.281 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.584 -2.573 -4.923 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.996 -1.858 -6.427 1.00 0.00 N ATOM 0 H ASN A 86 96.266 -2.362 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 86 96.925 -4.825 -4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.288 -2.068 -3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.706 -3.271 -5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.232 -1.536 -7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.963 -1.735 -6.728 1.00 0.00 H new ATOM 1200 N PRO A 87 99.190 -5.646 -3.241 1.00 0.00 N ATOM 1201 CA PRO A 87 100.358 -6.272 -2.578 1.00 0.00 C ATOM 1202 C PRO A 87 101.538 -5.304 -2.570 1.00 0.00 C ATOM 1203 O PRO A 87 102.362 -5.352 -1.680 1.00 0.00 O ATOM 1204 CB PRO A 87 100.642 -7.513 -3.422 1.00 0.00 C ATOM 1205 CG PRO A 87 100.054 -7.199 -4.759 1.00 0.00 C ATOM 1206 CD PRO A 87 98.845 -6.338 -4.494 1.00 0.00 C ATOM 0 HA PRO A 87 100.179 -6.528 -1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.712 -7.707 -3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.186 -8.402 -2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.774 -6.676 -5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.774 -8.112 -5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.667 -5.634 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.940 -6.937 -4.387 1.00 0.00 H new ATOM 1214 N THR A 88 101.621 -4.403 -3.517 1.00 0.00 N ATOM 1215 CA THR A 88 102.746 -3.422 -3.510 1.00 0.00 C ATOM 1216 C THR A 88 102.550 -2.445 -2.347 1.00 0.00 C ATOM 1217 O THR A 88 103.492 -2.086 -1.666 1.00 0.00 O ATOM 1218 CB THR A 88 102.680 -2.706 -4.854 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.829 -3.654 -5.903 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.796 -1.662 -4.946 1.00 0.00 C ATOM 0 H THR A 88 100.962 -4.305 -4.290 1.00 0.00 H new ATOM 0 HA THR A 88 103.719 -3.896 -3.376 1.00 0.00 H new ATOM 0 HB THR A 88 101.716 -2.206 -4.946 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.785 -3.195 -6.768 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.742 -1.155 -5.909 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.679 -0.932 -4.145 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.764 -2.154 -4.849 1.00 0.00 H new ATOM 1228 N ALA A 89 101.331 -2.027 -2.103 1.00 0.00 N ATOM 1229 CA ALA A 89 101.078 -1.091 -0.967 1.00 0.00 C ATOM 1230 C ALA A 89 101.353 -1.819 0.347 1.00 0.00 C ATOM 1231 O ALA A 89 101.925 -1.265 1.266 1.00 0.00 O ATOM 1232 CB ALA A 89 99.599 -0.702 -1.076 1.00 0.00 C ATOM 0 H ALA A 89 100.505 -2.293 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 89 101.717 -0.208 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.343 -0.014 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.420 -0.219 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.981 -1.596 -0.999 1.00 0.00 H new ATOM 1238 N PHE A 90 100.959 -3.060 0.431 1.00 0.00 N ATOM 1239 CA PHE A 90 101.208 -3.845 1.684 1.00 0.00 C ATOM 1240 C PHE A 90 102.710 -3.947 1.973 1.00 0.00 C ATOM 1241 O PHE A 90 103.154 -3.710 3.081 1.00 0.00 O ATOM 1242 CB PHE A 90 100.644 -5.241 1.414 1.00 0.00 C ATOM 1243 CG PHE A 90 100.679 -6.046 2.695 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.815 -6.799 3.027 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.576 -6.029 3.558 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.843 -7.535 4.219 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.606 -6.764 4.749 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.739 -7.517 5.079 1.00 0.00 C ATOM 0 H PHE A 90 100.476 -3.568 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 90 100.742 -3.368 2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.621 -5.168 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.228 -5.739 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.668 -6.811 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.701 -5.448 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.717 -8.116 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.755 -6.750 5.413 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.761 -8.084 5.998 1.00 0.00 H new ATOM 1258 N THR A 91 103.482 -4.336 0.994 1.00 0.00 N ATOM 1259 CA THR A 91 104.955 -4.504 1.204 1.00 0.00 C ATOM 1260 C THR A 91 105.607 -3.191 1.636 1.00 0.00 C ATOM 1261 O THR A 91 106.495 -3.172 2.461 1.00 0.00 O ATOM 1262 CB THR A 91 105.517 -4.941 -0.151 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.814 -6.084 -0.607 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.992 -5.299 0.012 1.00 0.00 C ATOM 0 H THR A 91 103.156 -4.547 0.051 1.00 0.00 H new ATOM 0 HA THR A 91 105.156 -5.231 1.991 1.00 0.00 H new ATOM 0 HB THR A 91 105.406 -4.130 -0.871 1.00 0.00 H new ATOM 0 HG1 THR A 91 104.020 -5.802 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.399 -5.611 -0.950 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.540 -4.428 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.092 -6.113 0.730 1.00 0.00 H new ATOM 1272 N LYS A 92 105.187 -2.099 1.061 1.00 0.00 N ATOM 1273 CA LYS A 92 105.801 -0.788 1.427 1.00 0.00 C ATOM 1274 C LYS A 92 105.436 -0.377 2.855 1.00 0.00 C ATOM 1275 O LYS A 92 106.256 0.160 3.576 1.00 0.00 O ATOM 1276 CB LYS A 92 105.240 0.226 0.435 1.00 0.00 C ATOM 1277 CG LYS A 92 105.817 -0.031 -0.958 1.00 0.00 C ATOM 1278 CD LYS A 92 105.244 0.995 -1.939 1.00 0.00 C ATOM 1279 CE LYS A 92 105.888 0.807 -3.313 1.00 0.00 C ATOM 1280 NZ LYS A 92 107.158 1.585 -3.242 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.450 -2.055 0.357 1.00 0.00 H new ATOM 0 HA LYS A 92 106.889 -0.847 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.153 0.156 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.485 1.238 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.904 0.040 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.571 -1.041 -1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 92 104.163 0.877 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.430 2.005 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.079 -0.246 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.241 1.176 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 107.894 1.099 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 107.005 2.536 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 107.462 1.663 -2.251 1.00 0.00 H new ATOM 1294 N LEU A 93 104.214 -0.602 3.260 1.00 0.00 N ATOM 1295 CA LEU A 93 103.801 -0.195 4.639 1.00 0.00 C ATOM 1296 C LEU A 93 104.453 -1.079 5.708 1.00 0.00 C ATOM 1297 O LEU A 93 104.874 -0.596 6.743 1.00 0.00 O ATOM 1298 CB LEU A 93 102.278 -0.347 4.667 1.00 0.00 C ATOM 1299 CG LEU A 93 101.732 0.046 6.046 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.875 1.560 6.246 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.253 -0.348 6.144 1.00 0.00 C ATOM 0 H LEU A 93 103.486 -1.047 2.701 1.00 0.00 H new ATOM 0 HA LEU A 93 104.117 0.825 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.828 0.280 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 93 102.004 -1.377 4.439 1.00 0.00 H new ATOM 0 HG LEU A 93 102.297 -0.474 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.486 1.836 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.927 1.838 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.313 2.084 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.866 -0.068 7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.687 0.169 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.154 -1.425 6.008 1.00 0.00 H new ATOM 1313 N VAL A 94 104.501 -2.370 5.493 1.00 0.00 N ATOM 1314 CA VAL A 94 105.083 -3.284 6.533 1.00 0.00 C ATOM 1315 C VAL A 94 106.542 -3.635 6.227 1.00 0.00 C ATOM 1316 O VAL A 94 107.372 -3.699 7.115 1.00 0.00 O ATOM 1317 CB VAL A 94 104.204 -4.540 6.488 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.698 -5.561 7.518 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.756 -4.164 6.812 1.00 0.00 C ATOM 0 H VAL A 94 104.165 -2.832 4.648 1.00 0.00 H new ATOM 0 HA VAL A 94 105.092 -2.815 7.517 1.00 0.00 H new ATOM 0 HB VAL A 94 104.259 -4.975 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 94 104.069 -6.450 7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.728 -5.836 7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.649 -5.124 8.516 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.132 -5.057 6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.709 -3.724 7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.395 -3.443 6.079 1.00 0.00 H new ATOM 1329 N GLY A 95 106.856 -3.871 4.984 1.00 0.00 N ATOM 1330 CA GLY A 95 108.254 -4.227 4.609 1.00 0.00 C ATOM 1331 C GLY A 95 108.275 -5.627 3.994 1.00 0.00 C ATOM 1332 O GLY A 95 109.005 -5.890 3.057 1.00 0.00 O ATOM 0 H GLY A 95 106.199 -3.832 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.648 -3.500 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.897 -4.195 5.488 1.00 0.00 H new ATOM 1336 N SER A 96 107.474 -6.523 4.512 1.00 0.00 N ATOM 1337 CA SER A 96 107.438 -7.909 3.960 1.00 0.00 C ATOM 1338 C SER A 96 105.989 -8.374 3.793 1.00 0.00 C ATOM 1339 O SER A 96 105.112 -7.971 4.536 1.00 0.00 O ATOM 1340 CB SER A 96 108.160 -8.768 4.996 1.00 0.00 C ATOM 1341 OG SER A 96 109.510 -8.333 5.108 1.00 0.00 O ATOM 0 H SER A 96 106.843 -6.353 5.295 1.00 0.00 H new ATOM 0 HA SER A 96 107.908 -7.974 2.979 1.00 0.00 H new ATOM 0 HB2 SER A 96 107.660 -8.691 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.127 -9.817 4.702 1.00 0.00 H new ATOM 0 HG SER A 96 109.976 -8.881 5.773 1.00 0.00 H new ATOM 1347 N THR A 97 105.730 -9.221 2.826 1.00 0.00 N ATOM 1348 CA THR A 97 104.334 -9.717 2.615 1.00 0.00 C ATOM 1349 C THR A 97 104.104 -11.049 3.349 1.00 0.00 C ATOM 1350 O THR A 97 103.056 -11.654 3.230 1.00 0.00 O ATOM 1351 CB THR A 97 104.187 -9.912 1.102 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.115 -10.891 0.661 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.457 -8.592 0.381 1.00 0.00 C ATOM 0 H THR A 97 106.424 -9.589 2.175 1.00 0.00 H new ATOM 0 HA THR A 97 103.602 -9.012 3.008 1.00 0.00 H new ATOM 0 HB THR A 97 103.173 -10.242 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.021 -11.018 -0.306 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.351 -8.736 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.743 -7.841 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.470 -8.256 0.604 1.00 0.00 H new ATOM 1361 N GLU A 98 105.077 -11.510 4.091 1.00 0.00 N ATOM 1362 CA GLU A 98 104.929 -12.809 4.824 1.00 0.00 C ATOM 1363 C GLU A 98 103.922 -12.684 5.975 1.00 0.00 C ATOM 1364 O GLU A 98 103.298 -13.653 6.370 1.00 0.00 O ATOM 1365 CB GLU A 98 106.328 -13.144 5.360 1.00 0.00 C ATOM 1366 CG GLU A 98 106.777 -12.080 6.364 1.00 0.00 C ATOM 1367 CD GLU A 98 108.174 -12.412 6.901 1.00 0.00 C ATOM 1368 OE1 GLU A 98 108.559 -13.570 6.840 1.00 0.00 O ATOM 1369 OE2 GLU A 98 108.839 -11.498 7.361 1.00 0.00 O1- ATOM 0 H GLU A 98 105.974 -11.042 4.223 1.00 0.00 H new ATOM 0 HA GLU A 98 104.549 -13.593 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.318 -14.124 5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 98 107.038 -13.199 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 98 106.787 -11.100 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 98 106.066 -12.025 7.189 1.00 0.00 H new ATOM 1376 N ALA A 99 103.771 -11.505 6.521 1.00 0.00 N ATOM 1377 CA ALA A 99 102.817 -11.317 7.659 1.00 0.00 C ATOM 1378 C ALA A 99 101.393 -11.687 7.237 1.00 0.00 C ATOM 1379 O ALA A 99 100.651 -12.284 7.994 1.00 0.00 O ATOM 1380 CB ALA A 99 102.899 -9.830 8.013 1.00 0.00 C ATOM 0 H ALA A 99 104.267 -10.663 6.229 1.00 0.00 H new ATOM 0 HA ALA A 99 103.069 -11.954 8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.225 -9.616 8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.920 -9.581 8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.611 -9.233 7.147 1.00 0.00 H new ATOM 1386 N GLY A 100 101.004 -11.331 6.040 1.00 0.00 N ATOM 1387 CA GLY A 100 99.625 -11.652 5.569 1.00 0.00 C ATOM 1388 C GLY A 100 98.695 -10.496 5.935 1.00 0.00 C ATOM 1389 O GLY A 100 98.104 -9.868 5.077 1.00 0.00 O ATOM 0 H GLY A 100 101.584 -10.830 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.622 -11.811 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.276 -12.577 6.028 1.00 0.00 H new ATOM 1393 N ARG A 101 98.571 -10.206 7.206 1.00 0.00 N ATOM 1394 CA ARG A 101 97.692 -9.085 7.644 1.00 0.00 C ATOM 1395 C ARG A 101 98.173 -8.516 8.985 1.00 0.00 C ATOM 1396 O ARG A 101 98.835 -9.193 9.751 1.00 0.00 O ATOM 1397 CB ARG A 101 96.304 -9.705 7.784 1.00 0.00 C ATOM 1398 CG ARG A 101 96.325 -10.810 8.843 1.00 0.00 C ATOM 1399 CD ARG A 101 94.956 -11.477 8.887 1.00 0.00 C ATOM 1400 NE ARG A 101 95.073 -12.534 9.928 1.00 0.00 N ATOM 1401 CZ ARG A 101 94.191 -12.608 10.886 1.00 0.00 C ATOM 1402 NH1 ARG A 101 94.129 -11.668 11.790 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 93.370 -13.620 10.940 1.00 0.00 N ATOM 0 H ARG A 101 99.045 -10.702 7.961 1.00 0.00 H new ATOM 0 HA ARG A 101 97.698 -8.256 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.581 -8.938 8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 101 95.982 -10.114 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 101 97.095 -11.544 8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 101 96.572 -10.392 9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 101 94.176 -10.759 9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 101 94.694 -11.904 7.919 1.00 0.00 H new ATOM 0 HE ARG A 101 95.844 -13.201 9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 101 94.770 -10.876 11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 101 93.439 -11.726 12.539 1.00 0.00 H new ATOM 0 HH21 ARG A 101 93.418 -14.354 10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 101 92.680 -13.678 11.689 1.00 0.00 H new ATOM 1417 N VAL A 102 97.832 -7.286 9.280 1.00 0.00 N ATOM 1418 CA VAL A 102 98.255 -6.679 10.579 1.00 0.00 C ATOM 1419 C VAL A 102 97.024 -6.152 11.328 1.00 0.00 C ATOM 1420 O VAL A 102 96.335 -5.269 10.853 1.00 0.00 O ATOM 1421 CB VAL A 102 99.192 -5.523 10.204 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.695 -4.829 11.474 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.391 -6.057 9.412 1.00 0.00 C ATOM 0 H VAL A 102 97.279 -6.676 8.677 1.00 0.00 H new ATOM 0 HA VAL A 102 98.750 -7.399 11.231 1.00 0.00 H new ATOM 0 HB VAL A 102 98.642 -4.809 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.360 -4.009 11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.846 -4.437 12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.237 -5.546 12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 102 101.051 -5.230 9.150 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.937 -6.778 10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 102 100.039 -6.543 8.502 1.00 0.00 H new ATOM 1433 N ASP A 103 96.739 -6.694 12.484 1.00 0.00 N ATOM 1434 CA ASP A 103 95.546 -6.229 13.255 1.00 0.00 C ATOM 1435 C ASP A 103 95.872 -4.947 14.022 1.00 0.00 C ATOM 1436 O ASP A 103 97.014 -4.539 14.117 1.00 0.00 O ATOM 1437 CB ASP A 103 95.215 -7.368 14.223 1.00 0.00 C ATOM 1438 CG ASP A 103 94.676 -8.585 13.457 1.00 0.00 C ATOM 1439 OD1 ASP A 103 94.304 -8.430 12.305 1.00 0.00 O ATOM 1440 OD2 ASP A 103 94.641 -9.654 14.042 1.00 0.00 O1- ATOM 0 H ASP A 103 97.279 -7.437 12.927 1.00 0.00 H new ATOM 0 HA ASP A 103 94.705 -6.000 12.601 1.00 0.00 H new ATOM 0 HB2 ASP A 103 96.107 -7.649 14.782 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.476 -7.032 14.950 1.00 0.00 H new ATOM 1445 N ASN A 104 94.868 -4.314 14.580 1.00 0.00 N ATOM 1446 CA ASN A 104 95.086 -3.051 15.362 1.00 0.00 C ATOM 1447 C ASN A 104 95.676 -1.940 14.488 1.00 0.00 C ATOM 1448 O ASN A 104 96.632 -1.285 14.865 1.00 0.00 O ATOM 1449 CB ASN A 104 96.055 -3.412 16.494 1.00 0.00 C ATOM 1450 CG ASN A 104 95.951 -2.364 17.604 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.917 -1.751 17.780 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.985 -2.131 18.366 1.00 0.00 N ATOM 0 H ASN A 104 93.896 -4.620 14.528 1.00 0.00 H new ATOM 0 HA ASN A 104 94.140 -2.670 15.745 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.819 -4.400 16.888 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.076 -3.456 16.114 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.925 -1.435 19.109 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.853 -2.645 18.219 1.00 0.00 H new ATOM 1459 N VAL A 105 95.109 -1.722 13.330 1.00 0.00 N ATOM 1460 CA VAL A 105 95.637 -0.646 12.437 1.00 0.00 C ATOM 1461 C VAL A 105 94.827 0.641 12.630 1.00 0.00 C ATOM 1462 O VAL A 105 93.619 0.645 12.484 1.00 0.00 O ATOM 1463 CB VAL A 105 95.485 -1.179 11.010 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.983 -0.129 10.005 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.307 -2.466 10.855 1.00 0.00 C ATOM 0 H VAL A 105 94.309 -2.238 12.965 1.00 0.00 H new ATOM 0 HA VAL A 105 96.676 -0.404 12.658 1.00 0.00 H new ATOM 0 HB VAL A 105 94.434 -1.391 10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.872 -0.514 8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.397 0.784 10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 105 97.033 0.089 10.197 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.199 -2.846 9.839 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.357 -2.253 11.053 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.949 -3.214 11.562 1.00 0.00 H new ATOM 1475 N ASN A 106 95.483 1.733 12.943 1.00 0.00 N ATOM 1476 CA ASN A 106 94.742 3.015 13.130 1.00 0.00 C ATOM 1477 C ASN A 106 94.548 3.689 11.771 1.00 0.00 C ATOM 1478 O ASN A 106 95.372 3.578 10.884 1.00 0.00 O ATOM 1479 CB ASN A 106 95.597 3.871 14.065 1.00 0.00 C ATOM 1480 CG ASN A 106 94.758 5.020 14.636 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.546 5.021 14.529 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.357 6.007 15.245 1.00 0.00 N ATOM 0 H ASN A 106 96.493 1.790 13.076 1.00 0.00 H new ATOM 0 HA ASN A 106 93.751 2.864 13.559 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.989 3.258 14.876 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.455 4.270 13.524 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.809 6.777 15.630 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.373 6.009 15.336 1.00 0.00 H new ATOM 1489 N TYR A 107 93.442 4.357 11.602 1.00 0.00 N ATOM 1490 CA TYR A 107 93.144 5.020 10.294 1.00 0.00 C ATOM 1491 C TYR A 107 92.499 6.396 10.493 1.00 0.00 C ATOM 1492 O TYR A 107 91.762 6.616 11.435 1.00 0.00 O ATOM 1493 CB TYR A 107 92.143 4.082 9.605 1.00 0.00 C ATOM 1494 CG TYR A 107 90.965 3.834 10.524 1.00 0.00 C ATOM 1495 CD1 TYR A 107 89.910 4.751 10.577 1.00 0.00 C ATOM 1496 CD2 TYR A 107 90.946 2.697 11.339 1.00 0.00 C ATOM 1497 CE1 TYR A 107 88.831 4.527 11.440 1.00 0.00 C ATOM 1498 CE2 TYR A 107 89.871 2.472 12.204 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.810 3.387 12.254 1.00 0.00 C ATOM 1500 OH TYR A 107 87.748 3.166 13.108 1.00 0.00 O ATOM 0 H TYR A 107 92.724 4.475 12.317 1.00 0.00 H new ATOM 0 HA TYR A 107 94.054 5.183 9.716 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.801 4.523 8.669 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.627 3.138 9.354 1.00 0.00 H new ATOM 0 HD1 TYR A 107 89.928 5.632 9.952 1.00 0.00 H new ATOM 0 HD2 TYR A 107 91.763 1.992 11.300 1.00 0.00 H new ATOM 0 HE1 TYR A 107 88.015 5.233 11.478 1.00 0.00 H new ATOM 0 HE2 TYR A 107 89.858 1.594 12.833 1.00 0.00 H new ATOM 0 HH TYR A 107 87.891 2.330 13.599 1.00 0.00 H new ATOM 1510 N VAL A 108 92.773 7.319 9.604 1.00 0.00 N ATOM 1511 CA VAL A 108 92.178 8.686 9.724 1.00 0.00 C ATOM 1512 C VAL A 108 91.927 9.295 8.339 1.00 0.00 C ATOM 1513 O VAL A 108 92.645 9.031 7.394 1.00 0.00 O ATOM 1514 CB VAL A 108 93.209 9.519 10.489 1.00 0.00 C ATOM 1515 CG1 VAL A 108 93.369 8.960 11.903 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.562 9.472 9.765 1.00 0.00 C ATOM 0 H VAL A 108 93.384 7.184 8.799 1.00 0.00 H new ATOM 0 HA VAL A 108 91.216 8.657 10.236 1.00 0.00 H new ATOM 0 HB VAL A 108 92.866 10.552 10.540 1.00 0.00 H new ATOM 0 HG11 VAL A 108 94.103 9.553 12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.411 9.003 12.422 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.707 7.925 11.849 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.290 10.067 10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.907 8.440 9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.450 9.875 8.759 1.00 0.00 H new ATOM 1526 N GLN A 109 90.912 10.113 8.223 1.00 0.00 N ATOM 1527 CA GLN A 109 90.594 10.761 6.912 1.00 0.00 C ATOM 1528 C GLN A 109 91.461 12.003 6.710 1.00 0.00 C ATOM 1529 O GLN A 109 91.704 12.761 7.630 1.00 0.00 O ATOM 1530 CB GLN A 109 89.128 11.176 7.021 1.00 0.00 C ATOM 1531 CG GLN A 109 88.469 11.095 5.643 1.00 0.00 C ATOM 1532 CD GLN A 109 86.963 11.360 5.765 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.431 11.456 6.855 1.00 0.00 O ATOM 1534 NE2 GLN A 109 86.247 11.477 4.681 1.00 0.00 N ATOM 0 H GLN A 109 90.284 10.363 8.987 1.00 0.00 H new ATOM 0 HA GLN A 109 90.779 10.090 6.073 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.607 10.526 7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 109 89.055 12.191 7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.922 11.824 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.639 10.111 5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.690 11.397 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.244 11.649 4.748 1.00 0.00 H new ATOM 1543 N VAL A 110 91.915 12.218 5.501 1.00 0.00 N ATOM 1544 CA VAL A 110 92.754 13.417 5.217 1.00 0.00 C ATOM 1545 C VAL A 110 92.242 14.120 3.955 1.00 0.00 C ATOM 1546 O VAL A 110 91.427 13.580 3.230 1.00 0.00 O ATOM 1547 CB VAL A 110 94.176 12.882 5.006 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.660 12.204 6.291 1.00 0.00 C ATOM 1549 CG2 VAL A 110 94.195 11.870 3.848 1.00 0.00 C ATOM 0 H VAL A 110 91.739 11.613 4.699 1.00 0.00 H new ATOM 0 HA VAL A 110 92.722 14.146 6.026 1.00 0.00 H new ATOM 0 HB VAL A 110 94.837 13.713 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.670 11.823 6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.661 12.928 7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.994 11.378 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 110 95.209 11.497 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.531 11.037 4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.858 12.357 2.933 1.00 0.00 H new ATOM 1559 N ASP A 111 92.714 15.311 3.680 1.00 0.00 N ATOM 1560 CA ASP A 111 92.252 16.036 2.452 1.00 0.00 C ATOM 1561 C ASP A 111 92.590 15.213 1.200 1.00 0.00 C ATOM 1562 O ASP A 111 93.559 14.478 1.177 1.00 0.00 O ATOM 1563 CB ASP A 111 93.016 17.362 2.453 1.00 0.00 C ATOM 1564 CG ASP A 111 92.504 18.258 3.588 1.00 0.00 C ATOM 1565 OD1 ASP A 111 91.358 18.098 3.978 1.00 0.00 O ATOM 1566 OD2 ASP A 111 93.269 19.089 4.048 1.00 0.00 O1- ATOM 0 H ASP A 111 93.396 15.812 4.249 1.00 0.00 H new ATOM 0 HA ASP A 111 91.174 16.197 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 111 94.083 17.177 2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.889 17.866 1.495 1.00 0.00 H new ATOM 1571 N LEU A 112 91.789 15.319 0.169 1.00 0.00 N ATOM 1572 CA LEU A 112 92.045 14.529 -1.081 1.00 0.00 C ATOM 1573 C LEU A 112 93.412 14.879 -1.680 1.00 0.00 C ATOM 1574 O LEU A 112 94.118 14.020 -2.170 1.00 0.00 O ATOM 1575 CB LEU A 112 90.929 14.943 -2.043 1.00 0.00 C ATOM 1576 CG LEU A 112 91.078 14.189 -3.371 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.694 13.845 -3.926 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.823 15.067 -4.378 1.00 0.00 C ATOM 0 H LEU A 112 90.965 15.920 0.137 1.00 0.00 H new ATOM 0 HA LEU A 112 92.053 13.457 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.957 14.728 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.969 16.018 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 112 91.640 13.271 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.803 13.310 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.161 13.217 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 112 89.130 14.763 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.928 14.530 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.262 15.986 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.811 15.311 -3.987 1.00 0.00 H new ATOM 1590 N SER A 113 93.775 16.135 -1.662 1.00 0.00 N ATOM 1591 CA SER A 113 95.087 16.557 -2.252 1.00 0.00 C ATOM 1592 C SER A 113 96.240 15.772 -1.622 1.00 0.00 C ATOM 1593 O SER A 113 97.204 15.445 -2.280 1.00 0.00 O ATOM 1594 CB SER A 113 95.211 18.045 -1.927 1.00 0.00 C ATOM 1595 OG SER A 113 95.514 18.200 -0.546 1.00 0.00 O ATOM 0 H SER A 113 93.219 16.892 -1.263 1.00 0.00 H new ATOM 0 HA SER A 113 95.130 16.368 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 113 95.993 18.498 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 113 94.281 18.560 -2.167 1.00 0.00 H new ATOM 0 HG SER A 113 95.596 19.153 -0.334 1.00 0.00 H new ATOM 1601 N ASN A 114 96.145 15.468 -0.355 1.00 0.00 N ATOM 1602 CA ASN A 114 97.231 14.695 0.329 1.00 0.00 C ATOM 1603 C ASN A 114 97.411 13.334 -0.345 1.00 0.00 C ATOM 1604 O ASN A 114 98.519 12.863 -0.515 1.00 0.00 O ATOM 1605 CB ASN A 114 96.763 14.524 1.774 1.00 0.00 C ATOM 1606 CG ASN A 114 96.808 15.875 2.489 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.574 16.745 2.122 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.014 16.090 3.502 1.00 0.00 N ATOM 0 H ASN A 114 95.358 15.722 0.242 1.00 0.00 H new ATOM 0 HA ASN A 114 98.192 15.206 0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.749 14.124 1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.400 13.806 2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.036 16.988 3.986 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.371 15.360 3.810 1.00 0.00 H new ATOM 1615 N CYS A 115 96.333 12.713 -0.752 1.00 0.00 N ATOM 1616 CA CYS A 115 96.450 11.396 -1.443 1.00 0.00 C ATOM 1617 C CYS A 115 97.073 11.612 -2.816 1.00 0.00 C ATOM 1618 O CYS A 115 97.870 10.825 -3.285 1.00 0.00 O ATOM 1619 CB CYS A 115 95.021 10.892 -1.637 1.00 0.00 C ATOM 1620 SG CYS A 115 94.184 10.717 -0.050 1.00 0.00 S ATOM 0 H CYS A 115 95.381 13.060 -0.636 1.00 0.00 H new ATOM 0 HA CYS A 115 97.060 10.695 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 115 94.468 11.586 -2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 115 95.036 9.932 -2.153 1.00 0.00 H new ATOM 1625 N ILE A 116 96.677 12.671 -3.473 1.00 0.00 N ATOM 1626 CA ILE A 116 97.205 12.949 -4.837 1.00 0.00 C ATOM 1627 C ILE A 116 98.713 13.208 -4.768 1.00 0.00 C ATOM 1628 O ILE A 116 99.475 12.712 -5.574 1.00 0.00 O ATOM 1629 CB ILE A 116 96.458 14.201 -5.317 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.940 13.952 -5.335 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.921 14.571 -6.728 1.00 0.00 C ATOM 1632 CD1 ILE A 116 94.599 12.757 -6.229 1.00 0.00 C ATOM 0 H ILE A 116 96.008 13.356 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 116 97.055 12.111 -5.518 1.00 0.00 H new ATOM 0 HB ILE A 116 96.677 15.017 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.585 13.767 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.425 14.842 -5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.388 15.460 -7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.992 14.772 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.713 13.745 -7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.521 12.598 -6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 116 94.935 12.956 -7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 116 95.098 11.865 -5.850 1.00 0.00 H new ATOM 1644 N ASN A 117 99.139 13.982 -3.804 1.00 0.00 N ATOM 1645 CA ASN A 117 100.597 14.284 -3.661 1.00 0.00 C ATOM 1646 C ASN A 117 101.360 13.041 -3.203 1.00 0.00 C ATOM 1647 O ASN A 117 102.459 12.774 -3.655 1.00 0.00 O ATOM 1648 CB ASN A 117 100.674 15.380 -2.598 1.00 0.00 C ATOM 1649 CG ASN A 117 100.107 16.681 -3.166 1.00 0.00 C ATOM 1650 OD1 ASN A 117 100.232 16.946 -4.345 1.00 0.00 O ATOM 1651 ND2 ASN A 117 99.476 17.506 -2.376 1.00 0.00 N ATOM 0 H ASN A 117 98.538 14.420 -3.106 1.00 0.00 H new ATOM 0 HA ASN A 117 101.043 14.597 -4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 117 100.113 15.082 -1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.708 15.527 -2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 117 99.088 18.373 -2.749 1.00 0.00 H new ATOM 0 HD22 ASN A 117 99.371 17.284 -1.386 1.00 0.00 H new ATOM 1658 N GLY A 118 100.788 12.287 -2.302 1.00 0.00 N ATOM 1659 CA GLY A 118 101.472 11.065 -1.794 1.00 0.00 C ATOM 1660 C GLY A 118 101.619 10.040 -2.916 1.00 0.00 C ATOM 1661 O GLY A 118 102.696 9.529 -3.166 1.00 0.00 O ATOM 0 H GLY A 118 99.871 12.468 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.454 11.326 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.901 10.635 -0.971 1.00 0.00 H new ATOM 1665 N ALA A 119 100.543 9.732 -3.589 1.00 0.00 N ATOM 1666 CA ALA A 119 100.604 8.732 -4.698 1.00 0.00 C ATOM 1667 C ALA A 119 101.485 9.255 -5.835 1.00 0.00 C ATOM 1668 O ALA A 119 102.247 8.518 -6.431 1.00 0.00 O ATOM 1669 CB ALA A 119 99.158 8.565 -5.171 1.00 0.00 C ATOM 0 H ALA A 119 99.620 10.131 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 119 101.035 7.785 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.123 7.843 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.544 8.208 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.776 9.525 -5.519 1.00 0.00 H new ATOM 1675 N ASN A 120 101.381 10.525 -6.138 1.00 0.00 N ATOM 1676 CA ASN A 120 102.205 11.109 -7.237 1.00 0.00 C ATOM 1677 C ASN A 120 102.988 12.326 -6.720 1.00 0.00 C ATOM 1678 O ASN A 120 102.730 13.425 -7.187 1.00 0.00 O ATOM 1679 CB ASN A 120 101.190 11.514 -8.311 1.00 0.00 C ATOM 1680 CG ASN A 120 100.590 10.258 -8.944 1.00 0.00 C ATOM 1681 OD1 ASN A 120 101.288 9.293 -9.187 1.00 0.00 O ATOM 1682 ND2 ASN A 120 99.315 10.228 -9.223 1.00 0.00 N ATOM 1683 OXT ASN A 120 103.835 12.134 -5.864 1.00 0.00 O ATOM 0 H ASN A 120 100.759 11.183 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 120 102.945 10.411 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 120 100.402 12.124 -7.870 1.00 0.00 H new ATOM 0 HB3 ASN A 120 101.675 12.123 -9.074 1.00 0.00 H new ATOM 0 HD21 ASN A 120 98.905 9.395 -9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 120 98.729 11.038 -9.019 1.00 0.00 H new