USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 953 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 LYS NZ :NH3+ -164:sc= 1.06 (180deg=0) USER MOD Set 1.2: A 99 GLN : amide:sc= -2.13 K(o=-1.1,f=-18!) USER MOD Set 2.1: A 79 CYS SG : rot -133:sc= -2.32 USER MOD Set 2.2: A 83 ASN : amide:sc= -1.92 K(o=-4.8,f=-9.7!) USER MOD Set 2.3: A 87 THR OG1 : rot -42:sc= -0.562 USER MOD Set 3.1: A 56 ASN : amide:sc= 0.00927 K(o=0.03,f=-0.48) USER MOD Set 3.2: A 62 TYR OH : rot 30:sc= 0.0206 USER MOD Set 4.1: A 46 LYS NZ :NH3+ 180:sc= -0.0199 (180deg=0) USER MOD Set 4.2: A 48 MET CE :methyl 172:sc= -1.45 (180deg=-1.62) USER MOD Set 5.1: A 20 GLN : amide:sc= -0.376 K(o=-0.81,f=2.4) USER MOD Set 5.2: A 29 SER OG : rot 133:sc= -0.431 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 74:sc= 1.29 USER MOD Single : A 18 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.17! C(o=-4.2!,f=-5.1!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -2.8 K(o=-2.8,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0588) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -125:sc= -10.7! (180deg=-20.3!) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.359 (180deg=-1.01) USER MOD Single : A 55 GLN : amide:sc= -2.5! K(o=-2.5!,f=-1.3) USER MOD Single : A 60 TYR OH : rot 165:sc= -0.26 USER MOD Single : A 64 ASN : amide:sc= -0.0737 X(o=-0.074,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.922 K(o=-0.92,f=-3.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.24 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 GLN : amide:sc= -0.0505 X(o=-0.051,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 167:sc= -0.0113 (180deg=-0.181) USER MOD Single : A 114 MET CE :methyl -126:sc= -1.19 (180deg=-2.41) USER MOD Single : A 116 SER OG : rot 45:sc= 0.0896 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.947 21.201 -2.155 1.00 0.00 N ATOM 2 CA GLY A 1 11.637 21.680 -2.554 1.00 0.00 C ATOM 3 C GLY A 1 10.541 21.224 -1.610 1.00 0.00 C ATOM 4 O GLY A 1 10.157 20.054 -1.614 1.00 0.00 O ATOM 0 H1 GLY A 1 13.661 21.539 -2.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.173 21.559 -1.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.947 20.161 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.648 22.769 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.415 21.327 -3.561 1.00 0.00 H new ATOM 8 N SER A 2 10.037 22.149 -0.799 1.00 0.00 N ATOM 9 CA SER A 2 8.983 21.833 0.158 1.00 0.00 C ATOM 10 C SER A 2 7.605 22.063 -0.457 1.00 0.00 C ATOM 11 O SER A 2 7.153 23.200 -0.586 1.00 0.00 O ATOM 12 CB SER A 2 9.139 22.684 1.420 1.00 0.00 C ATOM 13 OG SER A 2 10.115 22.135 2.287 1.00 0.00 O ATOM 0 H SER A 2 10.341 23.122 -0.786 1.00 0.00 H new ATOM 0 HA SER A 2 9.072 20.780 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.423 23.700 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.183 22.750 1.939 1.00 0.00 H new ATOM 0 HG SER A 2 10.197 22.698 3.085 1.00 0.00 H new ATOM 19 N SER A 3 6.944 20.973 -0.834 1.00 0.00 N ATOM 20 CA SER A 3 5.619 21.053 -1.439 1.00 0.00 C ATOM 21 C SER A 3 4.551 21.280 -0.375 1.00 0.00 C ATOM 22 O SER A 3 4.664 20.795 0.750 1.00 0.00 O ATOM 23 CB SER A 3 5.314 19.775 -2.221 1.00 0.00 C ATOM 24 OG SER A 3 5.923 19.802 -3.500 1.00 0.00 O ATOM 0 H SER A 3 7.304 20.024 -0.731 1.00 0.00 H new ATOM 0 HA SER A 3 5.610 21.900 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.671 18.910 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.236 19.661 -2.331 1.00 0.00 H new ATOM 0 HG SER A 3 5.714 18.973 -3.979 1.00 0.00 H new ATOM 30 N GLY A 4 3.509 22.022 -0.739 1.00 0.00 N ATOM 31 CA GLY A 4 2.434 22.301 0.194 1.00 0.00 C ATOM 32 C GLY A 4 1.357 21.234 0.174 1.00 0.00 C ATOM 33 O GLY A 4 1.657 20.043 0.097 1.00 0.00 O ATOM 0 H GLY A 4 3.391 22.435 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.843 22.381 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.989 23.266 -0.047 1.00 0.00 H new ATOM 37 N SER A 5 0.100 21.661 0.244 1.00 0.00 N ATOM 38 CA SER A 5 -1.024 20.734 0.240 1.00 0.00 C ATOM 39 C SER A 5 -0.878 19.698 1.350 1.00 0.00 C ATOM 40 O SER A 5 -1.091 18.505 1.133 1.00 0.00 O ATOM 41 CB SER A 5 -1.129 20.034 -1.117 1.00 0.00 C ATOM 42 OG SER A 5 -1.037 20.965 -2.180 1.00 0.00 O ATOM 0 H SER A 5 -0.165 22.644 0.304 1.00 0.00 H new ATOM 0 HA SER A 5 -1.935 21.305 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.335 19.292 -1.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.076 19.497 -1.180 1.00 0.00 H new ATOM 0 HG SER A 5 -1.105 20.492 -3.036 1.00 0.00 H new ATOM 48 N SER A 6 -0.513 20.162 2.541 1.00 0.00 N ATOM 49 CA SER A 6 -0.334 19.277 3.685 1.00 0.00 C ATOM 50 C SER A 6 -1.545 18.366 3.862 1.00 0.00 C ATOM 51 O SER A 6 -1.409 17.150 3.990 1.00 0.00 O ATOM 52 CB SER A 6 -0.106 20.094 4.958 1.00 0.00 C ATOM 53 OG SER A 6 -1.040 21.155 5.058 1.00 0.00 O ATOM 0 H SER A 6 -0.335 21.147 2.738 1.00 0.00 H new ATOM 0 HA SER A 6 0.542 18.656 3.499 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.193 19.446 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.907 20.496 4.959 1.00 0.00 H new ATOM 0 HG SER A 6 -0.874 21.661 5.881 1.00 0.00 H new ATOM 59 N GLY A 7 -2.733 18.965 3.869 1.00 0.00 N ATOM 60 CA GLY A 7 -3.952 18.195 4.031 1.00 0.00 C ATOM 61 C GLY A 7 -3.909 16.878 3.280 1.00 0.00 C ATOM 62 O GLY A 7 -4.212 15.825 3.842 1.00 0.00 O ATOM 0 H GLY A 7 -2.872 19.970 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.117 18.000 5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.799 18.783 3.679 1.00 0.00 H new ATOM 66 N PHE A 8 -3.533 16.936 2.007 1.00 0.00 N ATOM 67 CA PHE A 8 -3.455 15.739 1.177 1.00 0.00 C ATOM 68 C PHE A 8 -2.529 14.702 1.805 1.00 0.00 C ATOM 69 O PHE A 8 -2.775 13.498 1.716 1.00 0.00 O ATOM 70 CB PHE A 8 -2.962 16.097 -0.226 1.00 0.00 C ATOM 71 CG PHE A 8 -2.625 14.899 -1.066 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.610 14.000 -1.443 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.322 14.670 -1.480 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.302 12.897 -2.216 1.00 0.00 C ATOM 75 CE2 PHE A 8 -1.008 13.568 -2.252 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.001 12.681 -2.622 1.00 0.00 C ATOM 0 H PHE A 8 -3.277 17.799 1.527 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.455 15.311 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.729 16.683 -0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.080 16.732 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.630 14.163 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.543 15.362 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.079 12.204 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.012 13.400 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.759 11.820 -3.228 1.00 0.00 H new ATOM 86 N LEU A 9 -1.463 15.177 2.441 1.00 0.00 N ATOM 87 CA LEU A 9 -0.499 14.291 3.085 1.00 0.00 C ATOM 88 C LEU A 9 -1.149 13.517 4.227 1.00 0.00 C ATOM 89 O LEU A 9 -1.091 12.289 4.268 1.00 0.00 O ATOM 90 CB LEU A 9 0.691 15.097 3.611 1.00 0.00 C ATOM 91 CG LEU A 9 1.304 16.103 2.635 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.453 16.851 3.293 1.00 0.00 C ATOM 93 CD2 LEU A 9 1.778 15.399 1.372 1.00 0.00 C ATOM 0 H LEU A 9 -1.245 16.170 2.524 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.146 13.576 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.374 15.635 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.469 14.399 3.919 1.00 0.00 H new ATOM 0 HG LEU A 9 0.537 16.826 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.877 17.562 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.085 17.386 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.222 16.141 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.211 16.130 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.530 14.654 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.933 14.908 0.890 1.00 0.00 H new ATOM 105 N ILE A 10 -1.767 14.245 5.152 1.00 0.00 N ATOM 106 CA ILE A 10 -2.430 13.625 6.293 1.00 0.00 C ATOM 107 C ILE A 10 -3.356 12.500 5.846 1.00 0.00 C ATOM 108 O ILE A 10 -3.250 11.368 6.320 1.00 0.00 O ATOM 109 CB ILE A 10 -3.244 14.656 7.098 1.00 0.00 C ATOM 110 CG1 ILE A 10 -2.309 15.676 7.753 1.00 0.00 C ATOM 111 CG2 ILE A 10 -4.091 13.957 8.150 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.839 16.759 6.806 1.00 0.00 C ATOM 0 H ILE A 10 -1.822 15.263 5.134 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.646 13.215 6.930 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.909 15.185 6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.822 16.139 8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.441 15.155 8.156 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.660 14.699 8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.778 13.265 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.443 13.406 8.832 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.180 17.446 7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.297 16.306 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.700 17.306 6.422 1.00 0.00 H new ATOM 124 N LEU A 11 -4.264 12.818 4.930 1.00 0.00 N ATOM 125 CA LEU A 11 -5.210 11.833 4.416 1.00 0.00 C ATOM 126 C LEU A 11 -4.501 10.529 4.064 1.00 0.00 C ATOM 127 O LEU A 11 -5.076 9.447 4.179 1.00 0.00 O ATOM 128 CB LEU A 11 -5.931 12.383 3.185 1.00 0.00 C ATOM 129 CG LEU A 11 -6.709 11.364 2.351 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.958 10.912 3.090 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.073 11.950 0.994 1.00 0.00 C ATOM 0 H LEU A 11 -4.365 13.750 4.528 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.942 11.628 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.623 13.160 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.194 12.862 2.541 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.072 10.494 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.499 10.187 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.674 10.451 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.598 11.773 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.626 11.211 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.691 12.837 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.163 12.223 0.460 1.00 0.00 H new ATOM 143 N LEU A 12 -3.247 10.640 3.637 1.00 0.00 N ATOM 144 CA LEU A 12 -2.458 9.470 3.270 1.00 0.00 C ATOM 145 C LEU A 12 -1.902 8.778 4.511 1.00 0.00 C ATOM 146 O LEU A 12 -2.026 7.562 4.663 1.00 0.00 O ATOM 147 CB LEU A 12 -1.312 9.873 2.341 1.00 0.00 C ATOM 148 CG LEU A 12 -1.717 10.535 1.023 1.00 0.00 C ATOM 149 CD1 LEU A 12 -0.489 11.016 0.267 1.00 0.00 C ATOM 150 CD2 LEU A 12 -2.528 9.570 0.170 1.00 0.00 C ATOM 0 H LEU A 12 -2.756 11.528 3.537 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.111 8.771 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.656 10.556 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.726 8.983 2.112 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.340 11.401 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.797 11.484 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.052 11.741 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.161 10.168 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.808 10.057 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.930 8.685 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.428 9.276 0.710 1.00 0.00 H new ATOM 162 N ARG A 13 -1.290 9.559 5.394 1.00 0.00 N ATOM 163 CA ARG A 13 -0.716 9.021 6.622 1.00 0.00 C ATOM 164 C ARG A 13 -1.789 8.350 7.475 1.00 0.00 C ATOM 165 O ARG A 13 -1.517 7.382 8.185 1.00 0.00 O ATOM 166 CB ARG A 13 -0.036 10.134 7.422 1.00 0.00 C ATOM 167 CG ARG A 13 0.960 10.946 6.611 1.00 0.00 C ATOM 168 CD ARG A 13 1.315 12.250 7.307 1.00 0.00 C ATOM 169 NE ARG A 13 2.233 13.062 6.515 1.00 0.00 N ATOM 170 CZ ARG A 13 2.720 14.230 6.920 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.377 14.720 8.103 1.00 0.00 N ATOM 172 NH2 ARG A 13 3.551 14.910 6.141 1.00 0.00 N ATOM 0 H ARG A 13 -1.178 10.567 5.283 1.00 0.00 H new ATOM 0 HA ARG A 13 0.028 8.272 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.800 10.803 7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.478 9.694 8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.865 10.360 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.541 11.160 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.404 12.817 7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.767 12.033 8.275 1.00 0.00 H new ATOM 0 HE ARG A 13 2.517 12.713 5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.738 14.200 8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.752 15.617 8.412 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.817 14.536 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.924 15.807 6.453 1.00 0.00 H new ATOM 186 N LYS A 14 -3.010 8.870 7.400 1.00 0.00 N ATOM 187 CA LYS A 14 -4.124 8.322 8.163 1.00 0.00 C ATOM 188 C LYS A 14 -4.745 7.132 7.440 1.00 0.00 C ATOM 189 O LYS A 14 -5.187 6.170 8.070 1.00 0.00 O ATOM 190 CB LYS A 14 -5.185 9.399 8.401 1.00 0.00 C ATOM 191 CG LYS A 14 -6.171 9.545 7.255 1.00 0.00 C ATOM 192 CD LYS A 14 -7.378 8.641 7.438 1.00 0.00 C ATOM 193 CE LYS A 14 -8.485 9.341 8.212 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.423 10.062 7.307 1.00 0.00 N ATOM 0 H LYS A 14 -3.252 9.671 6.817 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.740 7.980 9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.733 9.162 9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.689 10.355 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.499 10.582 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.675 9.305 6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.754 8.332 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.079 7.736 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.038 8.607 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.045 10.047 8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.163 10.526 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.900 10.779 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.862 9.385 6.651 1.00 0.00 H new ATOM 208 N THR A 15 -4.776 7.202 6.112 1.00 0.00 N ATOM 209 CA THR A 15 -5.343 6.130 5.303 1.00 0.00 C ATOM 210 C THR A 15 -4.457 4.890 5.334 1.00 0.00 C ATOM 211 O THR A 15 -4.948 3.766 5.449 1.00 0.00 O ATOM 212 CB THR A 15 -5.536 6.573 3.841 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.649 7.470 3.744 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.768 5.371 2.938 1.00 0.00 C ATOM 0 H THR A 15 -4.415 7.990 5.574 1.00 0.00 H new ATOM 0 HA THR A 15 -6.315 5.889 5.733 1.00 0.00 H new ATOM 0 HB THR A 15 -4.629 7.083 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.398 8.344 4.110 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.902 5.708 1.910 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.908 4.704 2.992 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.661 4.838 3.264 1.00 0.00 H new ATOM 222 N LEU A 16 -3.149 5.101 5.232 1.00 0.00 N ATOM 223 CA LEU A 16 -2.193 3.999 5.248 1.00 0.00 C ATOM 224 C LEU A 16 -2.350 3.161 6.513 1.00 0.00 C ATOM 225 O LEU A 16 -2.137 1.950 6.497 1.00 0.00 O ATOM 226 CB LEU A 16 -0.764 4.537 5.153 1.00 0.00 C ATOM 227 CG LEU A 16 0.349 3.554 5.519 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.366 2.381 4.549 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.698 4.257 5.533 1.00 0.00 C ATOM 0 H LEU A 16 -2.726 6.025 5.137 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.394 3.363 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.595 4.883 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.681 5.408 5.804 1.00 0.00 H new ATOM 0 HG LEU A 16 0.153 3.168 6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.164 1.692 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.592 1.862 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.537 2.748 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.478 3.542 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.903 4.671 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.681 5.062 6.268 1.00 0.00 H new ATOM 241 N GLU A 17 -2.726 3.816 7.608 1.00 0.00 N ATOM 242 CA GLU A 17 -2.912 3.130 8.881 1.00 0.00 C ATOM 243 C GLU A 17 -4.184 2.288 8.864 1.00 0.00 C ATOM 244 O GLU A 17 -4.206 1.169 9.375 1.00 0.00 O ATOM 245 CB GLU A 17 -2.972 4.143 10.027 1.00 0.00 C ATOM 246 CG GLU A 17 -1.640 4.811 10.320 1.00 0.00 C ATOM 247 CD GLU A 17 -1.551 5.338 11.739 1.00 0.00 C ATOM 248 OE1 GLU A 17 -1.814 4.557 12.678 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.219 6.528 11.912 1.00 0.00 O ATOM 0 H GLU A 17 -2.907 4.819 7.638 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.061 2.467 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.708 4.910 9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.322 3.639 10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.834 4.096 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.489 5.633 9.621 1.00 0.00 H new ATOM 256 N GLN A 18 -5.241 2.835 8.273 1.00 0.00 N ATOM 257 CA GLN A 18 -6.517 2.134 8.189 1.00 0.00 C ATOM 258 C GLN A 18 -6.364 0.809 7.453 1.00 0.00 C ATOM 259 O GLN A 18 -7.051 -0.167 7.759 1.00 0.00 O ATOM 260 CB GLN A 18 -7.558 3.007 7.483 1.00 0.00 C ATOM 261 CG GLN A 18 -7.875 4.295 8.225 1.00 0.00 C ATOM 262 CD GLN A 18 -9.239 4.851 7.871 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.267 4.316 8.286 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.257 5.931 7.098 1.00 0.00 N ATOM 0 H GLN A 18 -5.239 3.761 7.845 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.855 1.927 9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.197 3.252 6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.477 2.434 7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.829 4.112 9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.113 5.039 7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.381 6.342 6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.147 6.349 6.826 1.00 0.00 H new ATOM 273 N LEU A 19 -5.459 0.780 6.480 1.00 0.00 N ATOM 274 CA LEU A 19 -5.215 -0.428 5.698 1.00 0.00 C ATOM 275 C LEU A 19 -4.598 -1.522 6.563 1.00 0.00 C ATOM 276 O LEU A 19 -5.102 -2.644 6.614 1.00 0.00 O ATOM 277 CB LEU A 19 -4.295 -0.117 4.517 1.00 0.00 C ATOM 278 CG LEU A 19 -4.785 0.962 3.549 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.607 1.678 2.907 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.687 0.354 2.486 1.00 0.00 C ATOM 0 H LEU A 19 -4.883 1.578 6.214 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.173 -0.786 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.325 0.188 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.136 -1.037 3.954 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.364 1.694 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.975 2.442 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.000 2.147 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.000 0.959 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.026 1.136 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.133 -0.399 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.549 -0.111 2.963 1.00 0.00 H new ATOM 292 N GLN A 20 -3.507 -1.186 7.244 1.00 0.00 N ATOM 293 CA GLN A 20 -2.823 -2.140 8.108 1.00 0.00 C ATOM 294 C GLN A 20 -3.812 -2.842 9.034 1.00 0.00 C ATOM 295 O GLN A 20 -3.741 -4.056 9.227 1.00 0.00 O ATOM 296 CB GLN A 20 -1.748 -1.433 8.935 1.00 0.00 C ATOM 297 CG GLN A 20 -0.658 -0.791 8.091 1.00 0.00 C ATOM 298 CD GLN A 20 0.673 -0.720 8.814 1.00 0.00 C ATOM 299 OE1 GLN A 20 1.166 0.364 9.127 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.263 -1.879 9.083 1.00 0.00 N ATOM 0 H GLN A 20 -3.078 -0.261 7.214 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.350 -2.890 7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.219 -0.666 9.550 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.293 -2.152 9.616 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.536 -1.358 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.968 0.215 7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.819 -2.754 8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.161 -1.894 9.567 1.00 0.00 H new ATOM 309 N GLU A 21 -4.732 -2.070 9.603 1.00 0.00 N ATOM 310 CA GLU A 21 -5.734 -2.620 10.510 1.00 0.00 C ATOM 311 C GLU A 21 -6.259 -3.956 9.994 1.00 0.00 C ATOM 312 O GLU A 21 -6.518 -4.876 10.771 1.00 0.00 O ATOM 313 CB GLU A 21 -6.893 -1.635 10.682 1.00 0.00 C ATOM 314 CG GLU A 21 -6.645 -0.584 11.749 1.00 0.00 C ATOM 315 CD GLU A 21 -7.931 -0.004 12.306 1.00 0.00 C ATOM 316 OE1 GLU A 21 -8.883 -0.779 12.530 1.00 0.00 O ATOM 317 OE2 GLU A 21 -7.983 1.225 12.520 1.00 0.00 O ATOM 0 H GLU A 21 -4.805 -1.064 9.453 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.260 -2.785 11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.080 -1.137 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.796 -2.190 10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.068 -1.026 12.562 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.040 0.220 11.329 1.00 0.00 H new ATOM 324 N LYS A 22 -6.415 -4.057 8.679 1.00 0.00 N ATOM 325 CA LYS A 22 -6.909 -5.280 8.057 1.00 0.00 C ATOM 326 C LYS A 22 -5.898 -6.412 8.205 1.00 0.00 C ATOM 327 O LYS A 22 -6.269 -7.565 8.426 1.00 0.00 O ATOM 328 CB LYS A 22 -7.208 -5.039 6.576 1.00 0.00 C ATOM 329 CG LYS A 22 -8.232 -3.944 6.332 1.00 0.00 C ATOM 330 CD LYS A 22 -9.509 -4.191 7.116 1.00 0.00 C ATOM 331 CE LYS A 22 -10.665 -3.365 6.573 1.00 0.00 C ATOM 332 NZ LYS A 22 -11.981 -4.012 6.836 1.00 0.00 N ATOM 0 H LYS A 22 -6.206 -3.305 8.022 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.829 -5.570 8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.281 -4.779 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.568 -5.967 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.810 -2.980 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.462 -3.890 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.765 -5.250 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.346 -3.945 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.650 -2.375 7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.538 -3.224 5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.708 -3.578 6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.917 -5.028 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.238 -3.882 7.835 1.00 0.00 H new ATOM 346 N ASP A 23 -4.618 -6.075 8.083 1.00 0.00 N ATOM 347 CA ASP A 23 -3.553 -7.064 8.206 1.00 0.00 C ATOM 348 C ASP A 23 -3.426 -7.549 9.646 1.00 0.00 C ATOM 349 O ASP A 23 -2.590 -7.060 10.407 1.00 0.00 O ATOM 350 CB ASP A 23 -2.223 -6.473 7.735 1.00 0.00 C ATOM 351 CG ASP A 23 -1.211 -7.541 7.371 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.634 -8.642 6.960 1.00 0.00 O ATOM 353 OD2 ASP A 23 0.003 -7.277 7.498 1.00 0.00 O ATOM 0 H ASP A 23 -4.293 -5.126 7.899 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.807 -7.916 7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.399 -5.834 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.812 -5.840 8.521 1.00 0.00 H new ATOM 358 N THR A 24 -4.262 -8.515 10.016 1.00 0.00 N ATOM 359 CA THR A 24 -4.244 -9.065 11.366 1.00 0.00 C ATOM 360 C THR A 24 -3.049 -9.989 11.567 1.00 0.00 C ATOM 361 O THR A 24 -2.825 -10.499 12.664 1.00 0.00 O ATOM 362 CB THR A 24 -5.538 -9.844 11.672 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.662 -10.957 10.778 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.757 -8.943 11.538 1.00 0.00 C ATOM 0 H THR A 24 -4.960 -8.932 9.400 1.00 0.00 H new ATOM 0 HA THR A 24 -4.166 -8.220 12.051 1.00 0.00 H new ATOM 0 HB THR A 24 -5.484 -10.206 12.699 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.486 -11.448 10.980 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.658 -9.515 11.759 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.674 -8.112 12.238 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.813 -8.556 10.521 1.00 0.00 H new ATOM 372 N GLY A 25 -2.283 -10.199 10.501 1.00 0.00 N ATOM 373 CA GLY A 25 -1.118 -11.062 10.583 1.00 0.00 C ATOM 374 C GLY A 25 0.182 -10.285 10.545 1.00 0.00 C ATOM 375 O GLY A 25 1.259 -10.856 10.708 1.00 0.00 O ATOM 0 H GLY A 25 -2.448 -9.787 9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.164 -11.643 11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.137 -11.773 9.757 1.00 0.00 H new ATOM 379 N ASN A 26 0.083 -8.978 10.327 1.00 0.00 N ATOM 380 CA ASN A 26 1.262 -8.121 10.264 1.00 0.00 C ATOM 381 C ASN A 26 2.344 -8.748 9.391 1.00 0.00 C ATOM 382 O ASN A 26 3.537 -8.564 9.635 1.00 0.00 O ATOM 383 CB ASN A 26 1.809 -7.869 11.671 1.00 0.00 C ATOM 384 CG ASN A 26 1.582 -9.047 12.600 1.00 0.00 C ATOM 385 OD1 ASN A 26 0.463 -9.286 13.056 1.00 0.00 O ATOM 386 ND2 ASN A 26 2.646 -9.789 12.884 1.00 0.00 N ATOM 0 H ASN A 26 -0.802 -8.489 10.191 1.00 0.00 H new ATOM 0 HA ASN A 26 0.967 -7.171 9.819 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.877 -7.658 11.610 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.332 -6.983 12.090 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.555 -10.595 13.503 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.554 -9.553 12.483 1.00 0.00 H new ATOM 393 N ILE A 27 1.919 -9.488 8.371 1.00 0.00 N ATOM 394 CA ILE A 27 2.852 -10.140 7.461 1.00 0.00 C ATOM 395 C ILE A 27 3.530 -9.124 6.548 1.00 0.00 C ATOM 396 O ILE A 27 4.731 -9.206 6.294 1.00 0.00 O ATOM 397 CB ILE A 27 2.146 -11.200 6.596 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.493 -12.262 7.483 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.134 -11.841 5.633 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.571 -13.194 6.730 1.00 0.00 C ATOM 0 H ILE A 27 0.935 -9.650 8.155 1.00 0.00 H new ATOM 0 HA ILE A 27 3.605 -10.630 8.078 1.00 0.00 H new ATOM 0 HB ILE A 27 1.365 -10.711 6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.273 -12.849 7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.929 -11.767 8.274 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.620 -12.588 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.556 -11.076 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.934 -12.319 6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.144 -13.920 7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.231 -12.618 6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.134 -13.717 5.957 1.00 0.00 H new ATOM 412 N PHE A 28 2.751 -8.165 6.059 1.00 0.00 N ATOM 413 CA PHE A 28 3.276 -7.131 5.174 1.00 0.00 C ATOM 414 C PHE A 28 3.759 -5.924 5.974 1.00 0.00 C ATOM 415 O PHE A 28 4.616 -5.167 5.518 1.00 0.00 O ATOM 416 CB PHE A 28 2.205 -6.696 4.171 1.00 0.00 C ATOM 417 CG PHE A 28 1.411 -7.840 3.608 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.372 -8.401 4.333 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.703 -8.354 2.355 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.359 -9.455 3.818 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.975 -9.406 1.835 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.059 -9.957 2.566 1.00 0.00 C ATOM 0 H PHE A 28 1.754 -8.082 6.260 1.00 0.00 H new ATOM 0 HA PHE A 28 4.124 -7.549 4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.525 -5.997 4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.683 -6.158 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.131 -8.011 5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.510 -7.927 1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.164 -9.886 4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.214 -9.798 0.857 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.632 -10.778 2.160 1.00 0.00 H new ATOM 432 N SER A 29 3.203 -5.752 7.169 1.00 0.00 N ATOM 433 CA SER A 29 3.573 -4.636 8.031 1.00 0.00 C ATOM 434 C SER A 29 5.080 -4.402 7.999 1.00 0.00 C ATOM 435 O SER A 29 5.552 -3.297 8.265 1.00 0.00 O ATOM 436 CB SER A 29 3.116 -4.900 9.467 1.00 0.00 C ATOM 437 OG SER A 29 2.837 -3.688 10.145 1.00 0.00 O ATOM 0 H SER A 29 2.494 -6.372 7.562 1.00 0.00 H new ATOM 0 HA SER A 29 3.076 -3.740 7.658 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.226 -5.529 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.890 -5.450 10.003 1.00 0.00 H new ATOM 0 HG SER A 29 1.977 -3.763 10.608 1.00 0.00 H new ATOM 443 N GLU A 30 5.829 -5.452 7.674 1.00 0.00 N ATOM 444 CA GLU A 30 7.283 -5.360 7.608 1.00 0.00 C ATOM 445 C GLU A 30 7.801 -5.879 6.270 1.00 0.00 C ATOM 446 O GLU A 30 7.187 -6.731 5.626 1.00 0.00 O ATOM 447 CB GLU A 30 7.917 -6.150 8.755 1.00 0.00 C ATOM 448 CG GLU A 30 7.311 -5.843 10.114 1.00 0.00 C ATOM 449 CD GLU A 30 8.221 -6.237 11.261 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.185 -5.492 11.536 1.00 0.00 O ATOM 451 OE2 GLU A 30 7.970 -7.290 11.883 1.00 0.00 O ATOM 0 H GLU A 30 5.453 -6.374 7.453 1.00 0.00 H new ATOM 0 HA GLU A 30 7.561 -4.310 7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.812 -7.216 8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.985 -5.935 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.093 -4.777 10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.361 -6.369 10.211 1.00 0.00 H new ATOM 458 N PRO A 31 8.958 -5.355 5.841 1.00 0.00 N ATOM 459 CA PRO A 31 9.586 -5.750 4.576 1.00 0.00 C ATOM 460 C PRO A 31 10.133 -7.173 4.620 1.00 0.00 C ATOM 461 O PRO A 31 10.804 -7.561 5.576 1.00 0.00 O ATOM 462 CB PRO A 31 10.726 -4.743 4.415 1.00 0.00 C ATOM 463 CG PRO A 31 11.045 -4.307 5.804 1.00 0.00 C ATOM 464 CD PRO A 31 9.744 -4.337 6.557 1.00 0.00 C ATOM 0 HA PRO A 31 8.876 -5.744 3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.592 -5.199 3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.424 -3.899 3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.777 -4.972 6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.476 -3.306 5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.891 -4.606 7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.250 -3.366 6.544 1.00 0.00 H new ATOM 472 N VAL A 32 9.842 -7.946 3.579 1.00 0.00 N ATOM 473 CA VAL A 32 10.307 -9.326 3.498 1.00 0.00 C ATOM 474 C VAL A 32 11.828 -9.398 3.578 1.00 0.00 C ATOM 475 O VAL A 32 12.546 -8.816 2.765 1.00 0.00 O ATOM 476 CB VAL A 32 9.840 -10.001 2.195 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.275 -11.458 2.162 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.331 -9.883 2.047 1.00 0.00 C ATOM 0 H VAL A 32 9.287 -7.640 2.780 1.00 0.00 H new ATOM 0 HA VAL A 32 9.875 -9.856 4.347 1.00 0.00 H new ATOM 0 HB VAL A 32 10.307 -9.489 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.936 -11.918 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.362 -11.515 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.839 -11.987 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.017 -10.365 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.843 -10.369 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.049 -8.830 2.022 1.00 0.00 H new ATOM 488 N PRO A 33 12.333 -10.131 4.581 1.00 0.00 N ATOM 489 CA PRO A 33 13.775 -10.299 4.790 1.00 0.00 C ATOM 490 C PRO A 33 14.422 -11.156 3.708 1.00 0.00 C ATOM 491 O PRO A 33 13.863 -12.170 3.287 1.00 0.00 O ATOM 492 CB PRO A 33 13.856 -11.001 6.148 1.00 0.00 C ATOM 493 CG PRO A 33 12.554 -11.712 6.286 1.00 0.00 C ATOM 494 CD PRO A 33 11.537 -10.853 5.587 1.00 0.00 C ATOM 0 HA PRO A 33 14.306 -9.348 4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.693 -11.698 6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.003 -10.284 6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.602 -12.704 5.837 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.294 -11.849 7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.754 -11.454 5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.047 -10.168 6.278 1.00 0.00 H new ATOM 502 N LEU A 34 15.603 -10.744 3.262 1.00 0.00 N ATOM 503 CA LEU A 34 16.329 -11.475 2.228 1.00 0.00 C ATOM 504 C LEU A 34 16.898 -12.778 2.780 1.00 0.00 C ATOM 505 O LEU A 34 17.105 -13.739 2.040 1.00 0.00 O ATOM 506 CB LEU A 34 17.456 -10.611 1.660 1.00 0.00 C ATOM 507 CG LEU A 34 17.022 -9.376 0.870 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.217 -8.743 0.172 1.00 0.00 C ATOM 509 CD2 LEU A 34 15.944 -9.740 -0.139 1.00 0.00 C ATOM 0 H LEU A 34 16.079 -9.908 3.600 1.00 0.00 H new ATOM 0 HA LEU A 34 15.628 -11.717 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.089 -10.286 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.073 -11.234 1.012 1.00 0.00 H new ATOM 0 HG LEU A 34 16.607 -8.649 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.890 -7.865 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.957 -8.446 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.661 -9.464 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.647 -8.849 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.332 -10.485 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.079 -10.147 0.384 1.00 0.00 H new ATOM 521 N SER A 35 17.148 -12.801 4.086 1.00 0.00 N ATOM 522 CA SER A 35 17.696 -13.986 4.737 1.00 0.00 C ATOM 523 C SER A 35 16.877 -15.225 4.389 1.00 0.00 C ATOM 524 O SER A 35 17.430 -16.277 4.070 1.00 0.00 O ATOM 525 CB SER A 35 17.728 -13.791 6.254 1.00 0.00 C ATOM 526 OG SER A 35 18.532 -12.679 6.609 1.00 0.00 O ATOM 0 H SER A 35 16.980 -12.014 4.713 1.00 0.00 H new ATOM 0 HA SER A 35 18.714 -14.132 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.714 -13.644 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.116 -14.691 6.731 1.00 0.00 H new ATOM 0 HG SER A 35 18.535 -12.575 7.583 1.00 0.00 H new ATOM 532 N GLU A 36 15.556 -15.091 4.454 1.00 0.00 N ATOM 533 CA GLU A 36 14.660 -16.199 4.147 1.00 0.00 C ATOM 534 C GLU A 36 14.365 -16.263 2.651 1.00 0.00 C ATOM 535 O GLU A 36 14.117 -17.335 2.100 1.00 0.00 O ATOM 536 CB GLU A 36 13.353 -16.061 4.930 1.00 0.00 C ATOM 537 CG GLU A 36 12.486 -17.308 4.895 1.00 0.00 C ATOM 538 CD GLU A 36 11.638 -17.464 6.143 1.00 0.00 C ATOM 539 OE1 GLU A 36 10.810 -16.569 6.413 1.00 0.00 O ATOM 540 OE2 GLU A 36 11.802 -18.482 6.847 1.00 0.00 O ATOM 0 H GLU A 36 15.083 -14.226 4.716 1.00 0.00 H new ATOM 0 HA GLU A 36 15.155 -17.124 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.585 -15.819 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.785 -15.223 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.836 -17.270 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.122 -18.185 4.781 1.00 0.00 H new ATOM 547 N VAL A 37 14.393 -15.105 1.998 1.00 0.00 N ATOM 548 CA VAL A 37 14.130 -15.027 0.567 1.00 0.00 C ATOM 549 C VAL A 37 15.307 -14.406 -0.176 1.00 0.00 C ATOM 550 O VAL A 37 15.340 -13.204 -0.443 1.00 0.00 O ATOM 551 CB VAL A 37 12.860 -14.206 0.273 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.227 -14.650 -1.036 1.00 0.00 C ATOM 553 CG2 VAL A 37 11.871 -14.327 1.423 1.00 0.00 C ATOM 0 H VAL A 37 14.595 -14.208 2.439 1.00 0.00 H new ATOM 0 HA VAL A 37 13.982 -16.049 0.217 1.00 0.00 H new ATOM 0 HB VAL A 37 13.141 -13.157 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.331 -14.058 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.937 -14.506 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.958 -15.704 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.979 -13.741 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.594 -15.373 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.330 -13.954 2.338 1.00 0.00 H new ATOM 563 N PRO A 38 16.299 -15.242 -0.518 1.00 0.00 N ATOM 564 CA PRO A 38 17.497 -14.797 -1.236 1.00 0.00 C ATOM 565 C PRO A 38 17.196 -14.406 -2.678 1.00 0.00 C ATOM 566 O PRO A 38 17.981 -13.705 -3.319 1.00 0.00 O ATOM 567 CB PRO A 38 18.411 -16.023 -1.194 1.00 0.00 C ATOM 568 CG PRO A 38 17.486 -17.182 -1.050 1.00 0.00 C ATOM 569 CD PRO A 38 16.326 -16.686 -0.232 1.00 0.00 C ATOM 0 HA PRO A 38 17.935 -13.906 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.007 -16.103 -2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.109 -15.968 -0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.152 -17.539 -2.024 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.982 -18.018 -0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.394 -17.170 -0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.470 -16.883 0.830 1.00 0.00 H new ATOM 577 N ASP A 39 16.056 -14.861 -3.185 1.00 0.00 N ATOM 578 CA ASP A 39 15.651 -14.558 -4.553 1.00 0.00 C ATOM 579 C ASP A 39 14.398 -13.688 -4.568 1.00 0.00 C ATOM 580 O ASP A 39 13.594 -13.756 -5.498 1.00 0.00 O ATOM 581 CB ASP A 39 15.400 -15.849 -5.332 1.00 0.00 C ATOM 582 CG ASP A 39 16.661 -16.671 -5.511 1.00 0.00 C ATOM 583 OD1 ASP A 39 17.686 -16.101 -5.939 1.00 0.00 O ATOM 584 OD2 ASP A 39 16.624 -17.887 -5.224 1.00 0.00 O ATOM 0 H ASP A 39 15.395 -15.442 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 39 16.460 -14.007 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.652 -16.445 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.987 -15.605 -6.311 1.00 0.00 H new ATOM 589 N TYR A 40 14.236 -12.873 -3.531 1.00 0.00 N ATOM 590 CA TYR A 40 13.080 -11.993 -3.423 1.00 0.00 C ATOM 591 C TYR A 40 12.972 -11.082 -4.643 1.00 0.00 C ATOM 592 O TYR A 40 11.950 -11.061 -5.329 1.00 0.00 O ATOM 593 CB TYR A 40 13.170 -11.151 -2.150 1.00 0.00 C ATOM 594 CG TYR A 40 11.966 -10.264 -1.924 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.676 -10.750 -2.102 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.119 -8.940 -1.531 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.574 -9.943 -1.898 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.022 -8.126 -1.323 1.00 0.00 C ATOM 599 CZ TYR A 40 9.752 -8.631 -1.507 1.00 0.00 C ATOM 600 OH TYR A 40 8.656 -7.825 -1.302 1.00 0.00 O ATOM 0 H TYR A 40 14.892 -12.804 -2.753 1.00 0.00 H new ATOM 0 HA TYR A 40 12.186 -12.615 -3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.288 -11.814 -1.293 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.064 -10.530 -2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.533 -11.777 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.112 -8.541 -1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.579 -10.336 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.159 -7.099 -1.018 1.00 0.00 H new ATOM 0 HH TYR A 40 8.953 -6.932 -1.030 1.00 0.00 H new ATOM 610 N LEU A 41 14.035 -10.330 -4.906 1.00 0.00 N ATOM 611 CA LEU A 41 14.064 -9.416 -6.042 1.00 0.00 C ATOM 612 C LEU A 41 14.126 -10.185 -7.358 1.00 0.00 C ATOM 613 O LEU A 41 13.487 -9.807 -8.341 1.00 0.00 O ATOM 614 CB LEU A 41 15.262 -8.472 -5.934 1.00 0.00 C ATOM 615 CG LEU A 41 15.498 -7.842 -4.560 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.908 -7.282 -4.465 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.470 -6.753 -4.289 1.00 0.00 C ATOM 0 H LEU A 41 14.889 -10.335 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 41 13.145 -8.829 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.159 -9.022 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.135 -7.671 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 41 15.385 -8.617 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.058 -6.838 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.629 -8.085 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.049 -6.520 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.653 -6.316 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.551 -5.979 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.469 -7.183 -4.313 1.00 0.00 H new ATOM 629 N ASP A 42 14.897 -11.267 -7.369 1.00 0.00 N ATOM 630 CA ASP A 42 15.040 -12.091 -8.563 1.00 0.00 C ATOM 631 C ASP A 42 13.710 -12.217 -9.300 1.00 0.00 C ATOM 632 O ASP A 42 13.678 -12.416 -10.514 1.00 0.00 O ATOM 633 CB ASP A 42 15.562 -13.480 -8.190 1.00 0.00 C ATOM 634 CG ASP A 42 15.447 -14.468 -9.334 1.00 0.00 C ATOM 635 OD1 ASP A 42 14.308 -14.762 -9.752 1.00 0.00 O ATOM 636 OD2 ASP A 42 16.497 -14.949 -9.811 1.00 0.00 O ATOM 0 H ASP A 42 15.432 -11.594 -6.565 1.00 0.00 H new ATOM 0 HA ASP A 42 15.757 -11.606 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.605 -13.403 -7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.005 -13.856 -7.332 1.00 0.00 H new ATOM 641 N HIS A 43 12.614 -12.100 -8.556 1.00 0.00 N ATOM 642 CA HIS A 43 11.280 -12.200 -9.140 1.00 0.00 C ATOM 643 C HIS A 43 10.541 -10.869 -9.036 1.00 0.00 C ATOM 644 O HIS A 43 9.802 -10.487 -9.944 1.00 0.00 O ATOM 645 CB HIS A 43 10.478 -13.298 -8.442 1.00 0.00 C ATOM 646 CG HIS A 43 11.079 -14.663 -8.585 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.518 -15.653 -9.363 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.200 -15.197 -8.046 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.267 -16.740 -9.294 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.295 -16.488 -8.502 1.00 0.00 N ATOM 0 H HIS A 43 12.623 -11.936 -7.549 1.00 0.00 H new ATOM 0 HA HIS A 43 11.388 -12.454 -10.195 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.393 -13.057 -7.382 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.466 -13.311 -8.848 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.891 -14.700 -7.381 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.072 -17.675 -9.799 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.038 -17.146 -8.268 1.00 0.00 H new ATOM 659 N ILE A 44 10.745 -10.169 -7.925 1.00 0.00 N ATOM 660 CA ILE A 44 10.098 -8.882 -7.705 1.00 0.00 C ATOM 661 C ILE A 44 10.996 -7.732 -8.147 1.00 0.00 C ATOM 662 O ILE A 44 12.107 -7.566 -7.641 1.00 0.00 O ATOM 663 CB ILE A 44 9.725 -8.687 -6.223 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.796 -9.808 -5.756 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.069 -7.329 -6.017 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.596 -10.013 -6.654 1.00 0.00 C ATOM 0 H ILE A 44 11.353 -10.472 -7.164 1.00 0.00 H new ATOM 0 HA ILE A 44 9.188 -8.879 -8.305 1.00 0.00 H new ATOM 0 HB ILE A 44 10.637 -8.724 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.362 -10.738 -5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.450 -9.585 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.811 -7.205 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.761 -6.542 -6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.165 -7.266 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.982 -10.823 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.007 -9.096 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.933 -10.267 -7.659 1.00 0.00 H new ATOM 678 N LYS A 45 10.508 -6.937 -9.093 1.00 0.00 N ATOM 679 CA LYS A 45 11.264 -5.800 -9.602 1.00 0.00 C ATOM 680 C LYS A 45 11.214 -4.631 -8.624 1.00 0.00 C ATOM 681 O LYS A 45 12.242 -4.040 -8.292 1.00 0.00 O ATOM 682 CB LYS A 45 10.714 -5.363 -10.963 1.00 0.00 C ATOM 683 CG LYS A 45 11.150 -6.259 -12.109 1.00 0.00 C ATOM 684 CD LYS A 45 10.200 -7.432 -12.291 1.00 0.00 C ATOM 685 CE LYS A 45 10.174 -7.909 -13.736 1.00 0.00 C ATOM 686 NZ LYS A 45 9.416 -6.975 -14.614 1.00 0.00 N ATOM 0 H LYS A 45 9.591 -7.060 -9.523 1.00 0.00 H new ATOM 0 HA LYS A 45 12.303 -6.110 -9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.625 -5.348 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.039 -4.343 -11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.193 -5.678 -13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.157 -6.631 -11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.504 -8.252 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.196 -7.139 -11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.195 -8.006 -14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.722 -8.900 -13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.246 -7.426 -15.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.505 -6.742 -14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.967 -6.104 -14.751 1.00 0.00 H new ATOM 700 N LYS A 46 10.012 -4.301 -8.163 1.00 0.00 N ATOM 701 CA LYS A 46 9.826 -3.205 -7.220 1.00 0.00 C ATOM 702 C LYS A 46 9.115 -3.685 -5.960 1.00 0.00 C ATOM 703 O LYS A 46 7.891 -3.608 -5.841 1.00 0.00 O ATOM 704 CB LYS A 46 9.026 -2.074 -7.872 1.00 0.00 C ATOM 705 CG LYS A 46 8.829 -0.870 -6.967 1.00 0.00 C ATOM 706 CD LYS A 46 8.034 0.224 -7.660 1.00 0.00 C ATOM 707 CE LYS A 46 7.439 1.201 -6.658 1.00 0.00 C ATOM 708 NZ LYS A 46 8.489 2.019 -5.991 1.00 0.00 N ATOM 0 H LYS A 46 9.151 -4.778 -8.428 1.00 0.00 H new ATOM 0 HA LYS A 46 10.810 -2.830 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.537 -1.756 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.050 -2.456 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.311 -1.177 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.800 -0.479 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.681 0.761 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.235 -0.224 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.735 1.859 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.875 0.651 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.043 2.672 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.147 1.393 -5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.011 2.564 -6.707 1.00 0.00 H new ATOM 722 N PRO A 47 9.896 -4.193 -4.994 1.00 0.00 N ATOM 723 CA PRO A 47 9.361 -4.694 -3.725 1.00 0.00 C ATOM 724 C PRO A 47 8.826 -3.574 -2.839 1.00 0.00 C ATOM 725 O PRO A 47 9.570 -2.683 -2.430 1.00 0.00 O ATOM 726 CB PRO A 47 10.573 -5.362 -3.069 1.00 0.00 C ATOM 727 CG PRO A 47 11.753 -4.671 -3.660 1.00 0.00 C ATOM 728 CD PRO A 47 11.361 -4.315 -5.068 1.00 0.00 C ATOM 0 HA PRO A 47 8.516 -5.366 -3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.549 -5.248 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.596 -6.432 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.010 -3.779 -3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.630 -5.319 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.826 -3.384 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.665 -5.086 -5.777 1.00 0.00 H new ATOM 736 N MET A 48 7.531 -3.625 -2.546 1.00 0.00 N ATOM 737 CA MET A 48 6.897 -2.615 -1.706 1.00 0.00 C ATOM 738 C MET A 48 6.363 -3.235 -0.420 1.00 0.00 C ATOM 739 O MET A 48 6.205 -4.453 -0.324 1.00 0.00 O ATOM 740 CB MET A 48 5.760 -1.930 -2.467 1.00 0.00 C ATOM 741 CG MET A 48 5.323 -0.611 -1.849 1.00 0.00 C ATOM 742 SD MET A 48 6.691 0.544 -1.640 1.00 0.00 S ATOM 743 CE MET A 48 7.268 0.696 -3.330 1.00 0.00 C ATOM 0 H MET A 48 6.900 -4.355 -2.878 1.00 0.00 H new ATOM 0 HA MET A 48 7.649 -1.871 -1.444 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.077 -1.753 -3.495 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.904 -2.604 -2.509 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.560 -0.154 -2.479 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.863 -0.803 -0.880 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.019 1.484 -3.389 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.707 -0.249 -3.651 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.429 0.945 -3.980 1.00 0.00 H new ATOM 753 N ASP A 49 6.087 -2.390 0.569 1.00 0.00 N ATOM 754 CA ASP A 49 5.569 -2.856 1.850 1.00 0.00 C ATOM 755 C ASP A 49 4.875 -1.723 2.600 1.00 0.00 C ATOM 756 O ASP A 49 4.846 -0.583 2.134 1.00 0.00 O ATOM 757 CB ASP A 49 6.701 -3.430 2.703 1.00 0.00 C ATOM 758 CG ASP A 49 7.272 -4.709 2.123 1.00 0.00 C ATOM 759 OD1 ASP A 49 8.104 -4.621 1.194 1.00 0.00 O ATOM 760 OD2 ASP A 49 6.888 -5.799 2.596 1.00 0.00 O ATOM 0 H ASP A 49 6.214 -1.380 0.507 1.00 0.00 H new ATOM 0 HA ASP A 49 4.838 -3.640 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.495 -2.689 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.331 -3.625 3.710 1.00 0.00 H new ATOM 765 N PHE A 50 4.316 -2.044 3.761 1.00 0.00 N ATOM 766 CA PHE A 50 3.620 -1.054 4.574 1.00 0.00 C ATOM 767 C PHE A 50 4.592 -0.002 5.100 1.00 0.00 C ATOM 768 O PHE A 50 4.332 1.198 5.010 1.00 0.00 O ATOM 769 CB PHE A 50 2.906 -1.735 5.745 1.00 0.00 C ATOM 770 CG PHE A 50 1.519 -2.202 5.410 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.545 -1.299 5.019 1.00 0.00 C ATOM 772 CD2 PHE A 50 1.188 -3.546 5.489 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.734 -1.725 4.709 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.088 -3.978 5.181 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.050 -3.067 4.793 1.00 0.00 C ATOM 0 H PHE A 50 4.331 -2.982 4.161 1.00 0.00 H new ATOM 0 HA PHE A 50 2.881 -0.559 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.498 -2.588 6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.854 -1.040 6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.787 -0.248 4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.936 -4.263 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.483 -1.010 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.333 -5.028 5.244 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.048 -3.403 4.555 1.00 0.00 H new ATOM 785 N PHE A 51 5.712 -0.460 5.649 1.00 0.00 N ATOM 786 CA PHE A 51 6.722 0.441 6.190 1.00 0.00 C ATOM 787 C PHE A 51 7.455 1.173 5.070 1.00 0.00 C ATOM 788 O PHE A 51 7.722 2.371 5.164 1.00 0.00 O ATOM 789 CB PHE A 51 7.723 -0.338 7.047 1.00 0.00 C ATOM 790 CG PHE A 51 9.039 0.366 7.219 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.159 1.437 8.090 1.00 0.00 C ATOM 792 CD2 PHE A 51 10.157 -0.043 6.510 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.368 2.087 8.251 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.369 0.602 6.667 1.00 0.00 C ATOM 795 CZ PHE A 51 11.474 1.670 7.538 1.00 0.00 C ATOM 0 H PHE A 51 5.943 -1.450 5.731 1.00 0.00 H new ATOM 0 HA PHE A 51 6.218 1.180 6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.285 -0.519 8.029 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.898 -1.313 6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.297 1.768 8.650 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.080 -0.876 5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.447 2.920 8.934 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.233 0.272 6.110 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.420 2.177 7.661 1.00 0.00 H new ATOM 805 N THR A 52 7.779 0.442 4.007 1.00 0.00 N ATOM 806 CA THR A 52 8.483 1.019 2.868 1.00 0.00 C ATOM 807 C THR A 52 7.672 2.142 2.233 1.00 0.00 C ATOM 808 O THR A 52 8.179 3.243 2.021 1.00 0.00 O ATOM 809 CB THR A 52 8.790 -0.046 1.799 1.00 0.00 C ATOM 810 OG1 THR A 52 9.647 -1.056 2.344 1.00 0.00 O ATOM 811 CG2 THR A 52 9.449 0.584 0.581 1.00 0.00 C ATOM 0 H THR A 52 7.565 -0.551 3.912 1.00 0.00 H new ATOM 0 HA THR A 52 9.422 1.422 3.248 1.00 0.00 H new ATOM 0 HB THR A 52 7.848 -0.499 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.836 -1.730 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.656 -0.188 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.781 1.330 0.151 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.383 1.061 0.879 1.00 0.00 H new ATOM 819 N MET A 53 6.409 1.857 1.932 1.00 0.00 N ATOM 820 CA MET A 53 5.527 2.846 1.322 1.00 0.00 C ATOM 821 C MET A 53 5.403 4.082 2.206 1.00 0.00 C ATOM 822 O MET A 53 5.326 5.207 1.711 1.00 0.00 O ATOM 823 CB MET A 53 4.144 2.242 1.073 1.00 0.00 C ATOM 824 CG MET A 53 3.201 2.374 2.258 1.00 0.00 C ATOM 825 SD MET A 53 2.274 3.920 2.238 1.00 0.00 S ATOM 826 CE MET A 53 1.218 3.665 0.813 1.00 0.00 C ATOM 0 H MET A 53 5.974 0.950 2.100 1.00 0.00 H new ATOM 0 HA MET A 53 5.962 3.145 0.368 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.695 2.727 0.206 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.257 1.187 0.825 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.503 1.536 2.257 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.775 2.311 3.183 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.348 4.489 0.112 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.485 2.728 0.325 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.177 3.623 1.134 1.00 0.00 H new ATOM 836 N LYS A 54 5.385 3.868 3.517 1.00 0.00 N ATOM 837 CA LYS A 54 5.270 4.964 4.472 1.00 0.00 C ATOM 838 C LYS A 54 6.443 5.930 4.334 1.00 0.00 C ATOM 839 O LYS A 54 6.250 7.133 4.161 1.00 0.00 O ATOM 840 CB LYS A 54 5.211 4.420 5.901 1.00 0.00 C ATOM 841 CG LYS A 54 5.063 5.501 6.957 1.00 0.00 C ATOM 842 CD LYS A 54 4.004 6.520 6.570 1.00 0.00 C ATOM 843 CE LYS A 54 3.865 7.607 7.623 1.00 0.00 C ATOM 844 NZ LYS A 54 2.480 8.152 7.679 1.00 0.00 N ATOM 0 H LYS A 54 5.449 2.944 3.943 1.00 0.00 H new ATOM 0 HA LYS A 54 4.348 5.504 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.374 3.727 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.118 3.850 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.798 5.045 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.019 6.005 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.264 6.971 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.046 6.018 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.136 7.204 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.564 8.414 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.492 9.085 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.104 8.246 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.875 7.506 8.225 1.00 0.00 H new ATOM 858 N GLN A 55 7.657 5.394 4.407 1.00 0.00 N ATOM 859 CA GLN A 55 8.860 6.209 4.290 1.00 0.00 C ATOM 860 C GLN A 55 8.765 7.150 3.092 1.00 0.00 C ATOM 861 O GLN A 55 8.938 8.361 3.226 1.00 0.00 O ATOM 862 CB GLN A 55 10.095 5.317 4.154 1.00 0.00 C ATOM 863 CG GLN A 55 10.257 4.327 5.296 1.00 0.00 C ATOM 864 CD GLN A 55 11.074 4.887 6.444 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.200 5.344 6.254 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.508 4.853 7.645 1.00 0.00 N ATOM 0 H GLN A 55 7.833 4.399 4.547 1.00 0.00 H new ATOM 0 HA GLN A 55 8.951 6.809 5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.035 4.768 3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.984 5.946 4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.272 4.038 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.736 3.422 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.571 4.465 7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.010 5.215 8.456 1.00 0.00 H new ATOM 875 N ASN A 56 8.488 6.585 1.922 1.00 0.00 N ATOM 876 CA ASN A 56 8.371 7.373 0.701 1.00 0.00 C ATOM 877 C ASN A 56 7.282 8.434 0.841 1.00 0.00 C ATOM 878 O ASN A 56 7.434 9.560 0.366 1.00 0.00 O ATOM 879 CB ASN A 56 8.061 6.464 -0.490 1.00 0.00 C ATOM 880 CG ASN A 56 9.132 5.412 -0.708 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.317 5.661 -0.483 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.719 4.230 -1.149 1.00 0.00 N ATOM 0 H ASN A 56 8.340 5.584 1.794 1.00 0.00 H new ATOM 0 HA ASN A 56 9.324 7.874 0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.101 5.973 -0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.962 7.070 -1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.394 3.483 -1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.727 4.068 -1.322 1.00 0.00 H new ATOM 889 N LEU A 57 6.187 8.067 1.496 1.00 0.00 N ATOM 890 CA LEU A 57 5.073 8.987 1.699 1.00 0.00 C ATOM 891 C LEU A 57 5.518 10.213 2.490 1.00 0.00 C ATOM 892 O LEU A 57 5.412 11.342 2.013 1.00 0.00 O ATOM 893 CB LEU A 57 3.930 8.280 2.431 1.00 0.00 C ATOM 894 CG LEU A 57 2.747 9.161 2.836 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.461 8.351 2.854 1.00 0.00 C ATOM 896 CD2 LEU A 57 2.997 9.799 4.194 1.00 0.00 C ATOM 0 H LEU A 57 6.046 7.139 1.896 1.00 0.00 H new ATOM 0 HA LEU A 57 4.721 9.316 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.558 7.477 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.334 7.813 3.329 1.00 0.00 H new ATOM 0 HG LEU A 57 2.641 9.956 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.630 8.994 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.274 7.943 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.555 7.535 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.145 10.422 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.130 9.019 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.896 10.414 4.147 1.00 0.00 H new ATOM 908 N GLU A 58 6.017 9.982 3.701 1.00 0.00 N ATOM 909 CA GLU A 58 6.478 11.069 4.556 1.00 0.00 C ATOM 910 C GLU A 58 7.590 11.862 3.875 1.00 0.00 C ATOM 911 O GLU A 58 7.857 13.010 4.233 1.00 0.00 O ATOM 912 CB GLU A 58 6.976 10.518 5.894 1.00 0.00 C ATOM 913 CG GLU A 58 7.972 9.378 5.750 1.00 0.00 C ATOM 914 CD GLU A 58 8.706 9.080 7.044 1.00 0.00 C ATOM 915 OE1 GLU A 58 8.031 8.841 8.066 1.00 0.00 O ATOM 916 OE2 GLU A 58 9.954 9.086 7.032 1.00 0.00 O ATOM 0 H GLU A 58 6.112 9.053 4.111 1.00 0.00 H new ATOM 0 HA GLU A 58 5.636 11.738 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.440 11.326 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.122 10.172 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.448 8.482 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.696 9.628 4.975 1.00 0.00 H new ATOM 923 N ALA A 59 8.235 11.242 2.893 1.00 0.00 N ATOM 924 CA ALA A 59 9.316 11.891 2.160 1.00 0.00 C ATOM 925 C ALA A 59 8.770 12.788 1.055 1.00 0.00 C ATOM 926 O ALA A 59 9.529 13.325 0.248 1.00 0.00 O ATOM 927 CB ALA A 59 10.259 10.847 1.579 1.00 0.00 C ATOM 0 H ALA A 59 8.028 10.291 2.586 1.00 0.00 H new ATOM 0 HA ALA A 59 9.871 12.518 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.061 11.344 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.684 10.251 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.708 10.197 0.899 1.00 0.00 H new ATOM 933 N TYR A 60 7.452 12.945 1.024 1.00 0.00 N ATOM 934 CA TYR A 60 6.804 13.774 0.016 1.00 0.00 C ATOM 935 C TYR A 60 7.062 13.230 -1.386 1.00 0.00 C ATOM 936 O TYR A 60 7.355 13.985 -2.313 1.00 0.00 O ATOM 937 CB TYR A 60 7.304 15.216 0.114 1.00 0.00 C ATOM 938 CG TYR A 60 6.649 16.010 1.222 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.029 15.833 2.547 1.00 0.00 C ATOM 940 CD2 TYR A 60 5.651 16.935 0.946 1.00 0.00 C ATOM 941 CE1 TYR A 60 6.433 16.556 3.563 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.051 17.663 1.955 1.00 0.00 C ATOM 943 CZ TYR A 60 5.445 17.470 3.262 1.00 0.00 C ATOM 944 OH TYR A 60 4.849 18.190 4.271 1.00 0.00 O ATOM 0 H TYR A 60 6.811 12.508 1.686 1.00 0.00 H new ATOM 0 HA TYR A 60 5.730 13.754 0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.382 15.208 0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.126 15.719 -0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.803 15.119 2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.338 17.088 -0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.739 16.406 4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.277 18.380 1.721 1.00 0.00 H new ATOM 0 HH TYR A 60 4.357 18.945 3.887 1.00 0.00 H new ATOM 954 N ARG A 61 6.951 11.913 -1.532 1.00 0.00 N ATOM 955 CA ARG A 61 7.172 11.266 -2.819 1.00 0.00 C ATOM 956 C ARG A 61 5.849 11.012 -3.534 1.00 0.00 C ATOM 957 O ARG A 61 5.809 10.875 -4.757 1.00 0.00 O ATOM 958 CB ARG A 61 7.922 9.946 -2.628 1.00 0.00 C ATOM 959 CG ARG A 61 9.392 10.125 -2.283 1.00 0.00 C ATOM 960 CD ARG A 61 10.225 8.949 -2.769 1.00 0.00 C ATOM 961 NE ARG A 61 11.628 9.310 -2.950 1.00 0.00 N ATOM 962 CZ ARG A 61 12.056 10.154 -3.881 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.192 10.723 -4.712 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.350 10.433 -3.983 1.00 0.00 N ATOM 0 H ARG A 61 6.709 11.274 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 61 7.775 11.934 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.439 9.375 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.841 9.356 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.763 11.046 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.504 10.230 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.151 8.131 -2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.820 8.583 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 61 12.318 8.890 -2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.197 10.512 -4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.523 11.371 -5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.017 9.999 -3.345 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.677 11.082 -4.699 1.00 0.00 H new ATOM 978 N TYR A 62 4.768 10.950 -2.765 1.00 0.00 N ATOM 979 CA TYR A 62 3.443 10.709 -3.324 1.00 0.00 C ATOM 980 C TYR A 62 2.602 11.982 -3.298 1.00 0.00 C ATOM 981 O TYR A 62 2.021 12.335 -2.271 1.00 0.00 O ATOM 982 CB TYR A 62 2.733 9.599 -2.549 1.00 0.00 C ATOM 983 CG TYR A 62 3.528 8.315 -2.465 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.130 7.773 -3.594 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.677 7.645 -1.258 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.856 6.600 -3.522 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.403 6.472 -1.176 1.00 0.00 C ATOM 988 CZ TYR A 62 4.990 5.953 -2.311 1.00 0.00 C ATOM 989 OH TYR A 62 5.714 4.786 -2.236 1.00 0.00 O ATOM 0 H TYR A 62 4.783 11.063 -1.751 1.00 0.00 H new ATOM 0 HA TYR A 62 3.565 10.397 -4.361 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.520 9.951 -1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.774 9.392 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.029 8.277 -4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.217 8.048 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.316 6.191 -4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.510 5.965 -0.229 1.00 0.00 H new ATOM 0 HH TYR A 62 6.420 4.795 -2.916 1.00 0.00 H new ATOM 999 N LEU A 63 2.540 12.666 -4.435 1.00 0.00 N ATOM 1000 CA LEU A 63 1.769 13.900 -4.544 1.00 0.00 C ATOM 1001 C LEU A 63 0.368 13.620 -5.080 1.00 0.00 C ATOM 1002 O LEU A 63 -0.580 14.341 -4.772 1.00 0.00 O ATOM 1003 CB LEU A 63 2.488 14.894 -5.459 1.00 0.00 C ATOM 1004 CG LEU A 63 3.922 15.250 -5.067 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.739 15.606 -6.299 1.00 0.00 C ATOM 1006 CD2 LEU A 63 3.932 16.397 -4.067 1.00 0.00 C ATOM 0 H LEU A 63 3.014 12.387 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 63 1.678 14.333 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.500 14.485 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.903 15.813 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 63 4.377 14.379 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.757 15.857 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.760 14.755 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.287 16.462 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.961 16.637 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.459 17.272 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.383 16.104 -3.172 1.00 0.00 H new ATOM 1018 N ASN A 64 0.246 12.568 -5.882 1.00 0.00 N ATOM 1019 CA ASN A 64 -1.040 12.192 -6.459 1.00 0.00 C ATOM 1020 C ASN A 64 -1.514 10.852 -5.903 1.00 0.00 C ATOM 1021 O ASN A 64 -0.729 9.915 -5.756 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.936 12.117 -7.984 1.00 0.00 C ATOM 1023 CG ASN A 64 -0.308 13.360 -8.582 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -1.007 14.289 -8.986 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.018 13.383 -8.642 1.00 0.00 N ATOM 0 H ASN A 64 1.021 11.961 -6.147 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.769 12.956 -6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.345 11.245 -8.263 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.931 11.976 -8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.497 14.193 -9.035 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.558 12.590 -8.295 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.805 10.768 -5.598 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.384 9.543 -5.058 1.00 0.00 C ATOM 1034 C PHE A 65 -2.947 8.329 -5.873 1.00 0.00 C ATOM 1035 O PHE A 65 -2.448 7.348 -5.324 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.911 9.640 -5.046 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.564 8.689 -4.083 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.552 8.943 -2.721 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.192 7.541 -4.540 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.150 8.070 -1.834 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.793 6.663 -3.658 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.773 6.930 -2.302 1.00 0.00 C ATOM 0 H PHE A 65 -3.470 11.533 -5.715 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.025 9.420 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.200 10.659 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.288 9.444 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.069 9.834 -2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.212 7.330 -5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.130 8.279 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.277 5.771 -4.027 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.244 6.248 -1.610 1.00 0.00 H new ATOM 1052 N ASP A 66 -3.138 8.406 -7.185 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.763 7.314 -8.077 1.00 0.00 C ATOM 1054 C ASP A 66 -1.429 6.703 -7.657 1.00 0.00 C ATOM 1055 O ASP A 66 -1.233 5.492 -7.752 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.677 7.812 -9.520 1.00 0.00 C ATOM 1057 CG ASP A 66 -4.018 8.280 -10.051 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.591 9.225 -9.469 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -4.495 7.701 -11.050 1.00 0.00 O ATOM 0 H ASP A 66 -3.550 9.212 -7.655 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.532 6.544 -8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.961 8.632 -9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.297 7.012 -10.155 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.517 7.549 -7.193 1.00 0.00 N ATOM 1065 CA ASP A 67 0.798 7.094 -6.759 1.00 0.00 C ATOM 1066 C ASP A 67 0.695 6.290 -5.466 1.00 0.00 C ATOM 1067 O ASP A 67 1.006 5.100 -5.437 1.00 0.00 O ATOM 1068 CB ASP A 67 1.734 8.286 -6.558 1.00 0.00 C ATOM 1069 CG ASP A 67 3.190 7.922 -6.776 1.00 0.00 C ATOM 1070 OD1 ASP A 67 3.520 6.721 -6.687 1.00 0.00 O ATOM 1071 OD2 ASP A 67 3.999 8.839 -7.034 1.00 0.00 O ATOM 0 H ASP A 67 -0.664 8.555 -7.108 1.00 0.00 H new ATOM 0 HA ASP A 67 1.206 6.449 -7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.455 9.084 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.608 8.677 -5.549 1.00 0.00 H new ATOM 1076 N PHE A 68 0.256 6.949 -4.399 1.00 0.00 N ATOM 1077 CA PHE A 68 0.114 6.297 -3.103 1.00 0.00 C ATOM 1078 C PHE A 68 -0.620 4.965 -3.241 1.00 0.00 C ATOM 1079 O PHE A 68 -0.331 4.009 -2.523 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.638 7.207 -2.129 1.00 0.00 C ATOM 1081 CG PHE A 68 -0.998 6.534 -0.835 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.121 6.555 0.239 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.212 5.881 -0.692 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.450 5.937 1.430 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.545 5.261 0.497 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.663 5.289 1.560 1.00 0.00 C ATOM 0 H PHE A 68 -0.008 7.934 -4.406 1.00 0.00 H new ATOM 0 HA PHE A 68 1.113 6.103 -2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.025 8.083 -1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.549 7.565 -2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.829 7.060 0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.906 5.856 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.241 5.961 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.494 4.755 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.921 4.805 2.490 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.569 4.914 -4.169 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.345 3.701 -4.401 1.00 0.00 C ATOM 1098 C GLU A 69 -1.542 2.689 -5.215 1.00 0.00 C ATOM 1099 O GLU A 69 -1.788 1.485 -5.143 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.651 4.034 -5.126 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.416 2.809 -5.595 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.806 3.148 -6.098 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.666 3.512 -5.269 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -6.035 3.046 -7.322 1.00 0.00 O ATOM 0 H GLU A 69 -1.819 5.697 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.579 3.259 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.288 4.617 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.428 4.664 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.856 2.317 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.494 2.097 -4.773 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.584 3.189 -5.989 1.00 0.00 N ATOM 1112 CA GLU A 70 0.253 2.328 -6.817 1.00 0.00 C ATOM 1113 C GLU A 70 1.133 1.431 -5.953 1.00 0.00 C ATOM 1114 O GLU A 70 1.110 0.207 -6.087 1.00 0.00 O ATOM 1115 CB GLU A 70 1.125 3.173 -7.749 1.00 0.00 C ATOM 1116 CG GLU A 70 2.118 2.356 -8.560 1.00 0.00 C ATOM 1117 CD GLU A 70 2.644 3.109 -9.766 1.00 0.00 C ATOM 1118 OE1 GLU A 70 2.697 4.355 -9.712 1.00 0.00 O ATOM 1119 OE2 GLU A 70 3.003 2.451 -10.766 1.00 0.00 O ATOM 0 H GLU A 70 -0.368 4.183 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.401 1.695 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.481 3.728 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.670 3.908 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.954 2.069 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.640 1.434 -8.892 1.00 0.00 H new ATOM 1126 N ASP A 71 1.909 2.048 -5.069 1.00 0.00 N ATOM 1127 CA ASP A 71 2.798 1.306 -4.183 1.00 0.00 C ATOM 1128 C ASP A 71 2.029 0.238 -3.412 1.00 0.00 C ATOM 1129 O ASP A 71 2.444 -0.920 -3.353 1.00 0.00 O ATOM 1130 CB ASP A 71 3.490 2.258 -3.206 1.00 0.00 C ATOM 1131 CG ASP A 71 2.687 2.472 -1.939 1.00 0.00 C ATOM 1132 OD1 ASP A 71 2.516 1.499 -1.173 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.230 3.611 -1.711 1.00 0.00 O ATOM 0 H ASP A 71 1.940 3.060 -4.947 1.00 0.00 H new ATOM 0 HA ASP A 71 3.553 0.814 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.471 1.859 -2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.655 3.218 -3.695 1.00 0.00 H new ATOM 1138 N PHE A 72 0.906 0.634 -2.822 1.00 0.00 N ATOM 1139 CA PHE A 72 0.079 -0.289 -2.053 1.00 0.00 C ATOM 1140 C PHE A 72 -0.277 -1.519 -2.882 1.00 0.00 C ATOM 1141 O PHE A 72 -0.219 -2.648 -2.394 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.199 0.409 -1.581 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.250 -0.539 -1.081 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.087 -1.196 -1.968 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.401 -0.774 0.276 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.057 -2.068 -1.511 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.367 -1.646 0.739 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.196 -2.296 -0.156 1.00 0.00 C ATOM 0 H PHE A 72 0.548 1.588 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 72 0.651 -0.611 -1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.947 1.112 -0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.610 0.993 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.980 -1.025 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.756 -0.269 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.706 -2.571 -2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.475 -1.820 1.799 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.950 -2.980 0.203 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.646 -1.293 -4.139 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.013 -2.383 -5.035 1.00 0.00 C ATOM 1160 C ASN A 73 0.088 -3.437 -5.090 1.00 0.00 C ATOM 1161 O ASN A 73 -0.165 -4.626 -4.894 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.289 -1.843 -6.441 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.741 -1.456 -6.636 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.642 -2.077 -6.073 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.975 -0.424 -7.440 1.00 0.00 N ATOM 0 H ASN A 73 -0.699 -0.365 -4.560 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.918 -2.850 -4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.656 -0.974 -6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.015 -2.598 -7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.933 -0.118 -7.611 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.197 0.062 -7.886 1.00 0.00 H new ATOM 1172 N LEU A 74 1.312 -2.992 -5.357 1.00 0.00 N ATOM 1173 CA LEU A 74 2.454 -3.898 -5.437 1.00 0.00 C ATOM 1174 C LEU A 74 2.454 -4.878 -4.268 1.00 0.00 C ATOM 1175 O LEU A 74 2.481 -6.093 -4.466 1.00 0.00 O ATOM 1176 CB LEU A 74 3.760 -3.102 -5.450 1.00 0.00 C ATOM 1177 CG LEU A 74 4.081 -2.360 -6.749 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.156 -1.311 -6.512 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.517 -3.339 -7.828 1.00 0.00 C ATOM 0 H LEU A 74 1.539 -2.011 -5.521 1.00 0.00 H new ATOM 0 HA LEU A 74 2.372 -4.466 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.727 -2.375 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.581 -3.785 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 74 3.177 -1.854 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.372 -0.793 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.806 -0.592 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.062 -1.795 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.741 -2.794 -8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.407 -3.873 -7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.715 -4.053 -8.017 1.00 0.00 H new ATOM 1191 N ILE A 75 2.422 -4.342 -3.053 1.00 0.00 N ATOM 1192 CA ILE A 75 2.416 -5.170 -1.853 1.00 0.00 C ATOM 1193 C ILE A 75 1.532 -6.400 -2.039 1.00 0.00 C ATOM 1194 O ILE A 75 1.798 -7.460 -1.472 1.00 0.00 O ATOM 1195 CB ILE A 75 1.926 -4.379 -0.626 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.819 -3.161 -0.387 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.899 -5.274 0.604 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.319 -2.251 0.714 1.00 0.00 C ATOM 0 H ILE A 75 2.400 -3.338 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 75 3.445 -5.487 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 75 0.912 -4.029 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.824 -3.501 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.896 -2.590 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.551 -4.701 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.225 -6.112 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.902 -5.651 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.001 -1.409 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.326 -1.881 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.269 -2.807 1.650 1.00 0.00 H new ATOM 1210 N VAL A 76 0.479 -6.250 -2.837 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.442 -7.348 -3.100 1.00 0.00 C ATOM 1212 C VAL A 76 -0.046 -8.109 -4.360 1.00 0.00 C ATOM 1213 O VAL A 76 -0.009 -9.339 -4.370 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.889 -6.842 -3.253 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.823 -7.992 -3.599 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.344 -6.138 -1.984 1.00 0.00 C ATOM 0 H VAL A 76 0.243 -5.379 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.387 -8.019 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.919 -6.122 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.841 -7.616 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.507 -8.448 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.792 -8.738 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.368 -5.787 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.299 -6.834 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.691 -5.288 -1.785 1.00 0.00 H new ATOM 1226 N SER A 77 0.252 -7.368 -5.424 1.00 0.00 N ATOM 1227 CA SER A 77 0.643 -7.972 -6.691 1.00 0.00 C ATOM 1228 C SER A 77 1.935 -8.769 -6.538 1.00 0.00 C ATOM 1229 O SER A 77 1.943 -9.991 -6.676 1.00 0.00 O ATOM 1230 CB SER A 77 0.820 -6.894 -7.761 1.00 0.00 C ATOM 1231 OG SER A 77 0.520 -7.400 -9.051 1.00 0.00 O ATOM 0 H SER A 77 0.230 -6.348 -5.432 1.00 0.00 H new ATOM 0 HA SER A 77 -0.150 -8.654 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.170 -6.047 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.845 -6.523 -7.742 1.00 0.00 H new ATOM 0 HG SER A 77 0.639 -6.691 -9.717 1.00 0.00 H new ATOM 1237 N ASN A 78 3.025 -8.066 -6.250 1.00 0.00 N ATOM 1238 CA ASN A 78 4.324 -8.707 -6.078 1.00 0.00 C ATOM 1239 C ASN A 78 4.185 -10.028 -5.327 1.00 0.00 C ATOM 1240 O ASN A 78 4.742 -11.048 -5.734 1.00 0.00 O ATOM 1241 CB ASN A 78 5.278 -7.778 -5.324 1.00 0.00 C ATOM 1242 CG ASN A 78 5.753 -6.620 -6.180 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.672 -6.666 -7.407 1.00 0.00 O ATOM 1244 ND2 ASN A 78 6.254 -5.573 -5.533 1.00 0.00 N ATOM 0 H ASN A 78 3.035 -7.053 -6.131 1.00 0.00 H new ATOM 0 HA ASN A 78 4.733 -8.913 -7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.777 -7.389 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.140 -8.349 -4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.591 -4.764 -6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.302 -5.578 -4.514 1.00 0.00 H new ATOM 1251 N CYS A 79 3.437 -10.002 -4.229 1.00 0.00 N ATOM 1252 CA CYS A 79 3.222 -11.196 -3.421 1.00 0.00 C ATOM 1253 C CYS A 79 2.371 -12.216 -4.171 1.00 0.00 C ATOM 1254 O CYS A 79 2.529 -13.424 -3.994 1.00 0.00 O ATOM 1255 CB CYS A 79 2.552 -10.828 -2.096 1.00 0.00 C ATOM 1256 SG CYS A 79 2.360 -12.217 -0.955 1.00 0.00 S ATOM 0 H CYS A 79 2.969 -9.166 -3.878 1.00 0.00 H new ATOM 0 HA CYS A 79 4.194 -11.644 -3.215 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.139 -10.050 -1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.570 -10.404 -2.303 1.00 0.00 H new ATOM 0 HG CYS A 79 1.154 -12.217 -0.470 1.00 0.00 H new ATOM 1262 N LEU A 80 1.467 -11.720 -5.008 1.00 0.00 N ATOM 1263 CA LEU A 80 0.587 -12.587 -5.786 1.00 0.00 C ATOM 1264 C LEU A 80 1.284 -13.074 -7.052 1.00 0.00 C ATOM 1265 O LEU A 80 0.821 -14.008 -7.707 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.700 -11.846 -6.150 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.704 -11.647 -5.015 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.833 -10.728 -5.456 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.255 -12.987 -4.549 1.00 0.00 C ATOM 0 H LEU A 80 1.323 -10.723 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 80 0.338 -13.454 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.432 -10.867 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.194 -12.391 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.188 -11.178 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.538 -10.598 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.423 -9.759 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.348 -11.168 -6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.968 -12.826 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.755 -13.484 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.437 -13.612 -4.192 1.00 0.00 H new ATOM 1281 N LYS A 81 2.400 -12.437 -7.389 1.00 0.00 N ATOM 1282 CA LYS A 81 3.164 -12.806 -8.576 1.00 0.00 C ATOM 1283 C LYS A 81 4.393 -13.628 -8.197 1.00 0.00 C ATOM 1284 O LYS A 81 5.021 -14.251 -9.052 1.00 0.00 O ATOM 1285 CB LYS A 81 3.590 -11.554 -9.343 1.00 0.00 C ATOM 1286 CG LYS A 81 4.968 -11.043 -8.956 1.00 0.00 C ATOM 1287 CD LYS A 81 5.416 -9.908 -9.862 1.00 0.00 C ATOM 1288 CE LYS A 81 6.924 -9.918 -10.062 1.00 0.00 C ATOM 1289 NZ LYS A 81 7.329 -9.134 -11.262 1.00 0.00 N ATOM 0 H LYS A 81 2.796 -11.662 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 81 2.525 -13.415 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.579 -11.771 -10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.858 -10.765 -9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.953 -10.700 -7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.688 -11.859 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.919 -9.994 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.111 -8.954 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.410 -9.506 -9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.270 -10.946 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.364 -9.165 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.885 -9.542 -12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.021 -8.147 -11.152 1.00 0.00 H new ATOM 1303 N TYR A 82 4.728 -13.623 -6.912 1.00 0.00 N ATOM 1304 CA TYR A 82 5.882 -14.368 -6.422 1.00 0.00 C ATOM 1305 C TYR A 82 5.485 -15.783 -6.015 1.00 0.00 C ATOM 1306 O TYR A 82 6.174 -16.750 -6.340 1.00 0.00 O ATOM 1307 CB TYR A 82 6.515 -13.641 -5.233 1.00 0.00 C ATOM 1308 CG TYR A 82 7.853 -14.210 -4.818 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.840 -14.472 -5.760 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.131 -14.484 -3.485 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.064 -14.992 -5.387 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.353 -15.003 -3.102 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.316 -15.256 -4.057 1.00 0.00 C ATOM 1314 OH TYR A 82 11.535 -15.772 -3.680 1.00 0.00 O ATOM 0 H TYR A 82 4.218 -13.112 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 82 6.611 -14.434 -7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.640 -12.588 -5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.832 -13.686 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.647 -14.265 -6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.379 -14.288 -2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.820 -15.191 -6.133 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.553 -15.209 -2.061 1.00 0.00 H new ATOM 0 HH TYR A 82 12.227 -15.463 -4.301 1.00 0.00 H new ATOM 1324 N ASN A 83 4.369 -15.896 -5.301 1.00 0.00 N ATOM 1325 CA ASN A 83 3.880 -17.193 -4.850 1.00 0.00 C ATOM 1326 C ASN A 83 2.438 -17.415 -5.294 1.00 0.00 C ATOM 1327 O ASN A 83 1.843 -16.563 -5.956 1.00 0.00 O ATOM 1328 CB ASN A 83 3.977 -17.296 -3.327 1.00 0.00 C ATOM 1329 CG ASN A 83 3.449 -16.058 -2.628 1.00 0.00 C ATOM 1330 OD1 ASN A 83 2.319 -15.632 -2.867 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.267 -15.474 -1.761 1.00 0.00 N ATOM 0 H ASN A 83 3.787 -15.106 -5.023 1.00 0.00 H new ATOM 0 HA ASN A 83 4.504 -17.965 -5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.417 -18.168 -2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.017 -17.455 -3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.967 -14.637 -1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.195 -15.862 -1.594 1.00 0.00 H new ATOM 1338 N ALA A 84 1.881 -18.564 -4.927 1.00 0.00 N ATOM 1339 CA ALA A 84 0.508 -18.897 -5.286 1.00 0.00 C ATOM 1340 C ALA A 84 -0.368 -19.024 -4.044 1.00 0.00 C ATOM 1341 O ALA A 84 0.093 -18.820 -2.922 1.00 0.00 O ATOM 1342 CB ALA A 84 0.470 -20.185 -6.094 1.00 0.00 C ATOM 0 H ALA A 84 2.360 -19.280 -4.381 1.00 0.00 H new ATOM 0 HA ALA A 84 0.112 -18.086 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.562 -20.421 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.055 -20.060 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.889 -20.998 -5.502 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.637 -19.361 -4.253 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.578 -19.517 -3.150 1.00 0.00 C ATOM 1350 C LYS A 85 -2.005 -20.425 -2.068 1.00 0.00 C ATOM 1351 O LYS A 85 -2.213 -20.195 -0.877 1.00 0.00 O ATOM 1352 CB LYS A 85 -3.904 -20.089 -3.661 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.604 -19.194 -4.669 1.00 0.00 C ATOM 1354 CD LYS A 85 -4.179 -19.517 -6.092 1.00 0.00 C ATOM 1355 CE LYS A 85 -5.294 -19.228 -7.086 1.00 0.00 C ATOM 1356 NZ LYS A 85 -5.219 -20.118 -8.278 1.00 0.00 N ATOM 0 H LYS A 85 -2.037 -19.531 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.756 -18.533 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.719 -21.061 -4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.568 -20.257 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.683 -19.313 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.378 -18.151 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.298 -18.931 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.894 -20.567 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.259 -19.357 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.235 -18.187 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.995 -19.890 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.308 -19.977 -8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.301 -21.110 -7.976 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.283 -21.457 -2.490 1.00 0.00 N ATOM 1371 CA ASP A 86 -0.676 -22.399 -1.556 1.00 0.00 C ATOM 1372 C ASP A 86 -0.006 -21.662 -0.400 1.00 0.00 C ATOM 1373 O ASP A 86 -0.276 -21.942 0.769 1.00 0.00 O ATOM 1374 CB ASP A 86 0.347 -23.279 -2.277 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.289 -24.148 -3.345 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -1.241 -23.679 -4.002 1.00 0.00 O ATOM 1377 OD2 ASP A 86 0.166 -25.298 -3.521 1.00 0.00 O ATOM 0 H ASP A 86 -1.104 -21.663 -3.473 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.466 -23.031 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.109 -22.647 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.853 -23.914 -1.550 1.00 0.00 H new ATOM 1382 N THR A 87 0.870 -20.720 -0.734 1.00 0.00 N ATOM 1383 CA THR A 87 1.581 -19.946 0.276 1.00 0.00 C ATOM 1384 C THR A 87 0.613 -19.123 1.119 1.00 0.00 C ATOM 1385 O THR A 87 -0.562 -18.989 0.778 1.00 0.00 O ATOM 1386 CB THR A 87 2.615 -19.001 -0.366 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.952 -18.034 -1.186 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.616 -19.784 -1.203 1.00 0.00 C ATOM 0 H THR A 87 1.104 -20.475 -1.696 1.00 0.00 H new ATOM 0 HA THR A 87 2.100 -20.660 0.915 1.00 0.00 H new ATOM 0 HB THR A 87 3.154 -18.490 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.238 -18.471 -1.695 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.336 -19.096 -1.646 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.140 -20.499 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.090 -20.318 -1.994 1.00 0.00 H new ATOM 1396 N ILE A 88 1.115 -18.574 2.221 1.00 0.00 N ATOM 1397 CA ILE A 88 0.294 -17.764 3.111 1.00 0.00 C ATOM 1398 C ILE A 88 0.202 -16.324 2.615 1.00 0.00 C ATOM 1399 O ILE A 88 -0.882 -15.833 2.299 1.00 0.00 O ATOM 1400 CB ILE A 88 0.851 -17.764 4.547 1.00 0.00 C ATOM 1401 CG1 ILE A 88 0.317 -18.969 5.323 1.00 0.00 C ATOM 1402 CG2 ILE A 88 0.491 -16.468 5.256 1.00 0.00 C ATOM 1403 CD1 ILE A 88 0.662 -18.940 6.796 1.00 0.00 C ATOM 0 H ILE A 88 2.086 -18.676 2.518 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.701 -18.210 3.115 1.00 0.00 H new ATOM 0 HB ILE A 88 1.937 -17.838 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.767 -19.011 5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.718 -19.882 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.892 -16.484 6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.916 -15.625 4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.593 -16.364 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.252 -19.824 7.283 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.745 -18.929 6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.238 -18.045 7.251 1.00 0.00 H new ATOM 1415 N PHE A 89 1.347 -15.653 2.548 1.00 0.00 N ATOM 1416 CA PHE A 89 1.395 -14.270 2.089 1.00 0.00 C ATOM 1417 C PHE A 89 0.421 -14.044 0.936 1.00 0.00 C ATOM 1418 O PHE A 89 -0.053 -12.928 0.720 1.00 0.00 O ATOM 1419 CB PHE A 89 2.816 -13.905 1.649 1.00 0.00 C ATOM 1420 CG PHE A 89 3.885 -14.571 2.467 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.798 -14.605 3.850 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.977 -15.163 1.853 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.782 -15.217 4.604 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.964 -15.776 2.603 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.865 -15.804 3.980 1.00 0.00 C ATOM 0 H PHE A 89 2.253 -16.044 2.805 1.00 0.00 H new ATOM 0 HA PHE A 89 1.102 -13.628 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.946 -14.180 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.941 -12.824 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.953 -14.149 4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.058 -15.145 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.704 -15.236 5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.811 -16.232 2.112 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.633 -16.284 4.568 1.00 0.00 H new ATOM 1435 N TYR A 90 0.127 -15.110 0.201 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.788 -15.029 -0.931 1.00 0.00 C ATOM 1437 C TYR A 90 -2.223 -14.817 -0.457 1.00 0.00 C ATOM 1438 O TYR A 90 -2.880 -13.850 -0.844 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.702 -16.300 -1.777 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.342 -16.166 -3.140 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.701 -15.913 -3.269 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.585 -16.292 -4.298 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.290 -15.790 -4.512 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.166 -16.171 -5.547 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.518 -15.919 -5.648 1.00 0.00 C ATOM 1446 OH TYR A 90 -3.101 -15.796 -6.889 1.00 0.00 O ATOM 0 H TYR A 90 0.509 -16.041 0.369 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.495 -14.175 -1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.346 -16.572 -1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.182 -17.118 -1.239 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.308 -15.811 -2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.474 -16.488 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.349 -15.594 -4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.564 -16.273 -6.438 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.420 -15.913 -7.584 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.703 -15.729 0.383 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.060 -15.643 0.910 1.00 0.00 C ATOM 1458 C ARG A 91 -4.250 -14.361 1.714 1.00 0.00 C ATOM 1459 O ARG A 91 -5.276 -13.690 1.596 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.366 -16.858 1.787 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.872 -18.061 1.008 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.716 -19.348 1.803 1.00 0.00 C ATOM 1463 NE ARG A 91 -5.726 -20.339 1.444 1.00 0.00 N ATOM 1464 CZ ARG A 91 -5.913 -21.472 2.111 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -5.163 -21.755 3.167 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -6.852 -22.325 1.723 1.00 0.00 N ATOM 0 H ARG A 91 -2.173 -16.535 0.713 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.751 -15.628 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.463 -17.141 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.111 -16.579 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.922 -17.915 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.325 -18.144 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.723 -19.763 1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.787 -19.127 2.868 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.321 -20.151 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.440 -21.102 3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.309 -22.626 3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.432 -22.111 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.994 -23.195 2.236 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.257 -14.027 2.530 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.315 -12.824 3.353 1.00 0.00 C ATOM 1482 C ALA A 92 -3.378 -11.570 2.487 1.00 0.00 C ATOM 1483 O ALA A 92 -4.112 -10.630 2.791 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.115 -12.764 4.286 1.00 0.00 C ATOM 0 H ALA A 92 -2.402 -14.572 2.640 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.225 -12.867 3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.172 -11.861 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.115 -13.639 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.197 -12.748 3.698 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.603 -11.562 1.408 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.572 -10.424 0.498 1.00 0.00 C ATOM 1492 C ALA A 93 -3.918 -10.235 -0.192 1.00 0.00 C ATOM 1493 O ALA A 93 -4.389 -9.110 -0.359 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.469 -10.603 -0.534 1.00 0.00 C ATOM 0 H ALA A 93 -1.988 -12.331 1.143 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.365 -9.529 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.458 -9.746 -1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.507 -10.680 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.651 -11.512 -1.107 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.534 -11.344 -0.591 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.828 -11.301 -1.262 1.00 0.00 C ATOM 1502 C VAL A 94 -6.851 -10.534 -0.433 1.00 0.00 C ATOM 1503 O VAL A 94 -7.686 -9.808 -0.975 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.364 -12.717 -1.539 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.822 -12.663 -1.967 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.516 -13.411 -2.595 1.00 0.00 C ATOM 0 H VAL A 94 -4.157 -12.283 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.676 -10.787 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.302 -13.296 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.183 -13.674 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.417 -12.209 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.913 -12.067 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.909 -14.411 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.544 -12.835 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.487 -13.485 -2.244 1.00 0.00 H new ATOM 1516 N ARG A 95 -6.783 -10.701 0.883 1.00 0.00 N ATOM 1517 CA ARG A 95 -7.706 -10.025 1.788 1.00 0.00 C ATOM 1518 C ARG A 95 -7.490 -8.515 1.755 1.00 0.00 C ATOM 1519 O ARG A 95 -8.424 -7.749 1.511 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.526 -10.545 3.215 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.399 -9.834 4.237 1.00 0.00 C ATOM 1522 CD ARG A 95 -8.743 -10.745 5.405 1.00 0.00 C ATOM 1523 NE ARG A 95 -8.949 -9.994 6.641 1.00 0.00 N ATOM 1524 CZ ARG A 95 -9.160 -10.566 7.821 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -9.189 -11.888 7.925 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -9.339 -9.816 8.901 1.00 0.00 N ATOM 0 H ARG A 95 -6.099 -11.298 1.347 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.722 -10.237 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.752 -11.611 3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.481 -10.435 3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.882 -8.948 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.317 -9.492 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.644 -11.311 5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.941 -11.468 5.549 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.930 -8.975 6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.049 -12.468 7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.351 -12.325 8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.315 -8.799 8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.501 -10.256 9.807 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.255 -8.093 2.001 1.00 0.00 N ATOM 1541 CA LEU A 96 -5.917 -6.673 2.000 1.00 0.00 C ATOM 1542 C LEU A 96 -6.472 -5.982 0.759 1.00 0.00 C ATOM 1543 O LEU A 96 -7.098 -4.926 0.852 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.399 -6.491 2.063 1.00 0.00 C ATOM 1545 CG LEU A 96 -3.766 -6.614 3.450 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.249 -6.660 3.342 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.204 -5.461 4.341 1.00 0.00 C ATOM 0 H LEU A 96 -5.471 -8.713 2.204 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.369 -6.216 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.937 -7.229 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.154 -5.509 1.659 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.106 -7.546 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.816 -6.748 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.953 -7.520 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.890 -5.746 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.744 -5.565 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.894 -4.517 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.289 -5.474 4.445 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.240 -6.586 -0.402 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.718 -6.029 -1.662 1.00 0.00 C ATOM 1561 C ARG A 97 -8.240 -5.919 -1.665 1.00 0.00 C ATOM 1562 O ARG A 97 -8.799 -4.926 -2.128 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.255 -6.896 -2.835 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.831 -6.465 -4.174 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.825 -7.607 -5.177 1.00 0.00 C ATOM 1566 NE ARG A 97 -7.492 -7.245 -6.424 1.00 0.00 N ATOM 1567 CZ ARG A 97 -7.457 -7.994 -7.522 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -6.789 -9.139 -7.525 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -8.090 -7.596 -8.617 1.00 0.00 N ATOM 0 H ARG A 97 -5.724 -7.461 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.299 -5.029 -1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.167 -6.867 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.537 -7.932 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.851 -6.108 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.252 -5.630 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.796 -7.898 -5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.319 -8.475 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.014 -6.369 -6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.301 -9.447 -6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.763 -9.712 -8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.604 -6.715 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.063 -8.171 -9.459 1.00 0.00 H new ATOM 1583 N GLU A 98 -8.904 -6.948 -1.147 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.360 -6.967 -1.092 1.00 0.00 C ATOM 1585 C GLU A 98 -10.882 -5.901 -0.133 1.00 0.00 C ATOM 1586 O GLU A 98 -11.589 -4.978 -0.539 1.00 0.00 O ATOM 1587 CB GLU A 98 -10.858 -8.347 -0.657 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.815 -9.386 -1.765 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.948 -9.227 -2.760 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -13.085 -9.627 -2.434 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.698 -8.701 -3.865 1.00 0.00 O ATOM 0 H GLU A 98 -8.456 -7.779 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.739 -6.750 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.253 -8.695 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -11.882 -8.257 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.863 -9.312 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.860 -10.382 -1.325 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.530 -6.036 1.142 1.00 0.00 N ATOM 1599 CA GLN A 99 -10.964 -5.086 2.159 1.00 0.00 C ATOM 1600 C GLN A 99 -10.324 -3.720 1.935 1.00 0.00 C ATOM 1601 O GLN A 99 -11.016 -2.705 1.850 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.614 -5.604 3.555 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.166 -6.991 3.844 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.252 -7.286 5.329 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.513 -6.395 6.136 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.031 -8.543 5.696 1.00 0.00 N ATOM 0 H GLN A 99 -9.946 -6.794 1.495 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.046 -4.978 2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.530 -5.623 3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.998 -4.907 4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.158 -7.083 3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.532 -7.737 3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.818 -9.250 4.992 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.075 -8.802 6.682 1.00 0.00 H new ATOM 1615 N GLY A 100 -8.998 -3.701 1.842 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.286 -2.454 1.630 1.00 0.00 C ATOM 1617 C GLY A 100 -9.000 -1.537 0.657 1.00 0.00 C ATOM 1618 O GLY A 100 -9.123 -0.338 0.898 1.00 0.00 O ATOM 0 H GLY A 100 -8.404 -4.527 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.164 -1.942 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.286 -2.670 1.254 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.471 -2.105 -0.451 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.169 -1.315 -1.449 1.00 0.00 C ATOM 1624 C GLY A 101 -11.122 -0.311 -0.832 1.00 0.00 C ATOM 1625 O GLY A 101 -11.122 0.863 -1.201 1.00 0.00 O ATOM 0 H GLY A 101 -9.381 -3.096 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.440 -0.788 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.725 -1.980 -2.110 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.938 -0.773 0.109 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.901 0.093 0.779 1.00 0.00 C ATOM 1631 C ALA A 102 -12.212 1.305 1.395 1.00 0.00 C ATOM 1632 O ALA A 102 -12.764 2.405 1.409 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.659 -0.685 1.844 1.00 0.00 C ATOM 0 H ALA A 102 -11.952 -1.743 0.425 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.611 0.452 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.374 -0.026 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.191 -1.515 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.956 -1.072 2.581 1.00 0.00 H new ATOM 1639 N VAL A 103 -11.003 1.096 1.908 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.238 2.172 2.527 1.00 0.00 C ATOM 1641 C VAL A 103 -9.679 3.124 1.475 1.00 0.00 C ATOM 1642 O VAL A 103 -9.739 4.344 1.632 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.076 1.620 3.373 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.267 2.758 3.977 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.603 0.694 4.460 1.00 0.00 C ATOM 0 H VAL A 103 -10.533 0.191 1.907 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.924 2.715 3.177 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.418 1.044 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.450 2.348 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.859 3.378 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.911 3.364 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.769 0.312 5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.283 1.245 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.135 -0.140 4.001 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.136 2.558 0.403 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.565 3.357 -0.676 1.00 0.00 C ATOM 1657 C LEU A 104 -9.663 3.966 -1.542 1.00 0.00 C ATOM 1658 O LEU A 104 -9.428 4.924 -2.279 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.639 2.497 -1.538 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.343 2.033 -0.873 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.641 0.996 -1.736 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.425 3.217 -0.607 1.00 0.00 C ATOM 0 H LEU A 104 -9.079 1.550 0.258 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.988 4.167 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.193 1.616 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.382 3.061 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.594 1.572 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.721 0.678 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.295 0.135 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.404 1.431 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.508 2.867 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.182 3.708 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.926 3.925 0.053 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.865 3.405 -1.447 1.00 0.00 N ATOM 1675 CA ARG A 105 -12.000 3.894 -2.220 1.00 0.00 C ATOM 1676 C ARG A 105 -12.733 5.001 -1.468 1.00 0.00 C ATOM 1677 O ARG A 105 -13.300 5.908 -2.078 1.00 0.00 O ATOM 1678 CB ARG A 105 -12.964 2.747 -2.530 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.646 2.018 -3.825 1.00 0.00 C ATOM 1680 CD ARG A 105 -13.894 1.399 -4.436 1.00 0.00 C ATOM 1681 NE ARG A 105 -13.658 0.923 -5.797 1.00 0.00 N ATOM 1682 CZ ARG A 105 -13.586 1.725 -6.853 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -13.729 3.035 -6.706 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -13.368 1.217 -8.059 1.00 0.00 N ATOM 0 H ARG A 105 -11.077 2.612 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.621 4.304 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.943 2.033 -1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.979 3.141 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.198 2.713 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.908 1.239 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.229 0.569 -3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.698 2.135 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.542 -0.080 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.895 3.429 -5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.673 3.649 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.256 0.210 -8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.313 1.834 -8.870 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.718 4.919 -0.142 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.383 5.915 0.692 1.00 0.00 C ATOM 1700 C GLN A 106 -12.478 7.120 0.927 1.00 0.00 C ATOM 1701 O GLN A 106 -12.954 8.214 1.228 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.790 5.298 2.031 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.632 5.137 3.003 1.00 0.00 C ATOM 1704 CD GLN A 106 -13.093 4.817 4.411 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.701 3.775 4.656 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.804 5.715 5.347 1.00 0.00 N ATOM 0 H GLN A 106 -12.254 4.175 0.378 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.277 6.253 0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.556 5.922 2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.240 4.322 1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.974 4.342 2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.044 6.055 3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -12.298 6.565 5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -13.088 5.554 6.313 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.174 6.910 0.787 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.204 7.980 0.982 1.00 0.00 C ATOM 1717 C ALA A 107 -9.893 8.688 -0.333 1.00 0.00 C ATOM 1718 O ALA A 107 -9.487 9.849 -0.343 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.928 7.429 1.602 1.00 0.00 C ATOM 0 H ALA A 107 -10.765 6.009 0.539 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.640 8.711 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.212 8.239 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.158 6.977 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.499 6.676 0.942 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.087 7.979 -1.440 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.825 8.538 -2.761 1.00 0.00 C ATOM 1727 C ARG A 108 -10.668 9.789 -2.998 1.00 0.00 C ATOM 1728 O ARG A 108 -10.180 10.787 -3.527 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.119 7.500 -3.845 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.880 8.009 -5.257 1.00 0.00 C ATOM 1731 CD ARG A 108 -10.692 7.226 -6.277 1.00 0.00 C ATOM 1732 NE ARG A 108 -10.068 7.236 -7.597 1.00 0.00 N ATOM 1733 CZ ARG A 108 -10.648 6.748 -8.688 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -11.861 6.215 -8.616 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -10.017 6.793 -9.854 1.00 0.00 N ATOM 0 H ARG A 108 -10.425 7.017 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.772 8.815 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.496 6.622 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.156 7.177 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.144 9.065 -5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.820 7.932 -5.498 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.805 6.196 -5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.694 7.651 -6.346 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.136 7.640 -7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.350 6.179 -7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.304 5.841 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.085 7.203 -9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.464 6.418 -10.691 1.00 0.00 H new ATOM 1749 N ARG A 109 -11.936 9.725 -2.603 1.00 0.00 N ATOM 1750 CA ARG A 109 -12.846 10.852 -2.774 1.00 0.00 C ATOM 1751 C ARG A 109 -12.351 12.072 -2.003 1.00 0.00 C ATOM 1752 O ARG A 109 -12.551 13.209 -2.429 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.252 10.474 -2.304 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.315 10.053 -0.845 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.587 9.276 -0.544 1.00 0.00 C ATOM 1756 NE ARG A 109 -15.450 7.857 -0.861 1.00 0.00 N ATOM 1757 CZ ARG A 109 -16.427 6.971 -0.703 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -17.606 7.355 -0.235 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -16.225 5.697 -1.014 1.00 0.00 N ATOM 0 H ARG A 109 -12.356 8.906 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 109 -12.879 11.103 -3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -14.917 11.324 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.627 9.660 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.447 9.439 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.267 10.936 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.840 9.389 0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -16.413 9.697 -1.117 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.555 7.528 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -17.765 8.333 0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.354 6.672 -0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.319 5.398 -1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.976 5.017 -0.892 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.708 11.827 -0.866 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.187 12.906 -0.035 1.00 0.00 C ATOM 1775 C GLN A 110 -10.052 13.638 -0.744 1.00 0.00 C ATOM 1776 O GLN A 110 -10.087 14.860 -0.895 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.696 12.356 1.305 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.774 11.634 2.096 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.495 11.623 3.587 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.277 10.568 4.182 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.500 12.802 4.199 1.00 0.00 N ATOM 0 H GLN A 110 -11.535 10.891 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 110 -11.996 13.614 0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.868 11.671 1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.305 13.178 1.905 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.736 12.113 1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.856 10.608 1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.686 13.652 3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.318 12.857 5.201 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.046 12.885 -1.176 1.00 0.00 N ATOM 1791 CA ALA A 111 -7.901 13.462 -1.869 1.00 0.00 C ATOM 1792 C ALA A 111 -8.348 14.306 -3.058 1.00 0.00 C ATOM 1793 O ALA A 111 -7.576 15.101 -3.591 1.00 0.00 O ATOM 1794 CB ALA A 111 -6.951 12.364 -2.325 1.00 0.00 C ATOM 0 H ALA A 111 -9.001 11.873 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.376 14.114 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.101 12.810 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.597 11.806 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.474 11.689 -3.003 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.599 14.125 -3.470 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.147 14.869 -4.598 1.00 0.00 C ATOM 1802 C GLU A 112 -11.012 16.030 -4.115 1.00 0.00 C ATOM 1803 O GLU A 112 -10.923 17.143 -4.633 1.00 0.00 O ATOM 1804 CB GLU A 112 -10.971 13.943 -5.496 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.157 12.828 -6.129 1.00 0.00 C ATOM 1806 CD GLU A 112 -10.718 12.383 -7.466 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -10.670 13.183 -8.424 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -11.206 11.237 -7.554 1.00 0.00 O ATOM 0 H GLU A 112 -10.252 13.470 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.314 15.274 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.778 13.504 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.436 14.535 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.129 13.165 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.126 11.976 -5.450 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.851 15.761 -3.120 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.732 16.781 -2.564 1.00 0.00 C ATOM 1817 C LYS A 113 -11.931 17.975 -2.056 1.00 0.00 C ATOM 1818 O LYS A 113 -12.468 19.071 -1.894 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.572 16.195 -1.427 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.916 16.317 -0.062 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.852 15.869 1.048 1.00 0.00 C ATOM 1822 CE LYS A 113 -13.220 16.057 2.419 1.00 0.00 C ATOM 1823 NZ LYS A 113 -13.008 17.496 2.739 1.00 0.00 N ATOM 0 H LYS A 113 -11.939 14.844 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.396 17.123 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.538 16.699 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.766 15.143 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.008 15.715 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.617 17.351 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.781 16.437 0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.111 14.820 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.859 15.606 3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.265 15.533 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.786 17.598 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -12.218 17.865 2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -13.872 18.032 2.519 1.00 0.00 H new ATOM 1837 N MET A 114 -10.644 17.756 -1.809 1.00 0.00 N ATOM 1838 CA MET A 114 -9.769 18.815 -1.322 1.00 0.00 C ATOM 1839 C MET A 114 -9.875 20.057 -2.202 1.00 0.00 C ATOM 1840 O MET A 114 -10.268 21.126 -1.740 1.00 0.00 O ATOM 1841 CB MET A 114 -8.319 18.329 -1.279 1.00 0.00 C ATOM 1842 CG MET A 114 -8.147 16.992 -0.577 1.00 0.00 C ATOM 1843 SD MET A 114 -6.507 16.792 0.146 1.00 0.00 S ATOM 1844 CE MET A 114 -6.911 15.941 1.670 1.00 0.00 C ATOM 0 H MET A 114 -10.184 16.855 -1.938 1.00 0.00 H new ATOM 0 HA MET A 114 -10.087 19.078 -0.313 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.942 18.246 -2.298 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.709 19.077 -0.773 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.899 16.898 0.206 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.326 16.187 -1.289 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.489 16.486 2.514 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.994 15.885 1.779 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.496 14.933 1.645 1.00 0.00 H new ATOM 1854 N GLY A 115 -9.521 19.906 -3.476 1.00 0.00 N ATOM 1855 CA GLY A 115 -9.584 21.022 -4.400 1.00 0.00 C ATOM 1856 C GLY A 115 -9.887 20.584 -5.819 1.00 0.00 C ATOM 1857 O GLY A 115 -8.993 20.154 -6.547 1.00 0.00 O ATOM 0 H GLY A 115 -9.192 19.031 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -10.351 21.722 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -8.635 21.557 -4.383 1.00 0.00 H new ATOM 1861 N SER A 116 -11.153 20.691 -6.212 1.00 0.00 N ATOM 1862 CA SER A 116 -11.572 20.297 -7.552 1.00 0.00 C ATOM 1863 C SER A 116 -11.750 21.519 -8.447 1.00 0.00 C ATOM 1864 O SER A 116 -12.867 21.982 -8.670 1.00 0.00 O ATOM 1865 CB SER A 116 -12.879 19.504 -7.487 1.00 0.00 C ATOM 1866 OG SER A 116 -12.655 18.190 -7.005 1.00 0.00 O ATOM 0 H SER A 116 -11.905 21.047 -5.622 1.00 0.00 H new ATOM 0 HA SER A 116 -10.792 19.666 -7.979 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.587 20.017 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 116 -13.330 19.459 -8.478 1.00 0.00 H new ATOM 0 HG SER A 116 -12.061 18.224 -6.226 1.00 0.00 H new ATOM 1872 N GLY A 117 -10.637 22.038 -8.958 1.00 0.00 N ATOM 1873 CA GLY A 117 -10.690 23.202 -9.823 1.00 0.00 C ATOM 1874 C GLY A 117 -10.783 22.831 -11.290 1.00 0.00 C ATOM 1875 O GLY A 117 -10.943 21.664 -11.648 1.00 0.00 O ATOM 0 H GLY A 117 -9.700 21.673 -8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.550 23.814 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -9.801 23.812 -9.661 1.00 0.00 H new ATOM 1879 N PRO A 118 -10.683 23.841 -12.167 1.00 0.00 N ATOM 1880 CA PRO A 118 -10.755 23.638 -13.617 1.00 0.00 C ATOM 1881 C PRO A 118 -9.529 22.913 -14.162 1.00 0.00 C ATOM 1882 O PRO A 118 -8.432 23.471 -14.202 1.00 0.00 O ATOM 1883 CB PRO A 118 -10.822 25.065 -14.171 1.00 0.00 C ATOM 1884 CG PRO A 118 -10.171 25.906 -13.129 1.00 0.00 C ATOM 1885 CD PRO A 118 -10.491 25.256 -11.811 1.00 0.00 C ATOM 0 HA PRO A 118 -11.603 23.015 -13.900 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -10.302 25.144 -15.126 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -11.853 25.375 -14.343 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -9.094 25.958 -13.287 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -10.548 26.928 -13.161 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -9.681 25.383 -11.093 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -11.387 25.682 -11.360 1.00 0.00 H new ATOM 1893 N SER A 119 -9.724 21.668 -14.585 1.00 0.00 N ATOM 1894 CA SER A 119 -8.633 20.865 -15.125 1.00 0.00 C ATOM 1895 C SER A 119 -8.642 20.893 -16.651 1.00 0.00 C ATOM 1896 O SER A 119 -9.652 21.227 -17.271 1.00 0.00 O ATOM 1897 CB SER A 119 -8.741 19.421 -14.631 1.00 0.00 C ATOM 1898 OG SER A 119 -8.181 19.283 -13.335 1.00 0.00 O ATOM 0 H SER A 119 -10.627 21.194 -14.564 1.00 0.00 H new ATOM 0 HA SER A 119 -7.693 21.292 -14.775 1.00 0.00 H new ATOM 0 HB2 SER A 119 -9.787 19.117 -14.613 1.00 0.00 H new ATOM 0 HB3 SER A 119 -8.227 18.756 -15.325 1.00 0.00 H new ATOM 0 HG SER A 119 -8.264 18.352 -13.040 1.00 0.00 H new ATOM 1904 N SER A 120 -7.510 20.540 -17.249 1.00 0.00 N ATOM 1905 CA SER A 120 -7.384 20.528 -18.702 1.00 0.00 C ATOM 1906 C SER A 120 -7.638 19.131 -19.258 1.00 0.00 C ATOM 1907 O SER A 120 -8.409 18.955 -20.201 1.00 0.00 O ATOM 1908 CB SER A 120 -5.994 21.011 -19.120 1.00 0.00 C ATOM 1909 OG SER A 120 -5.810 20.889 -20.519 1.00 0.00 O ATOM 0 H SER A 120 -6.666 20.258 -16.750 1.00 0.00 H new ATOM 0 HA SER A 120 -8.134 21.205 -19.112 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.863 22.051 -18.822 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.232 20.432 -18.598 1.00 0.00 H new ATOM 0 HG SER A 120 -4.914 21.206 -20.760 1.00 0.00 H new ATOM 1915 N GLY A 121 -6.984 18.136 -18.665 1.00 0.00 N ATOM 1916 CA GLY A 121 -7.151 16.766 -19.113 1.00 0.00 C ATOM 1917 C GLY A 121 -8.433 16.141 -18.601 1.00 0.00 C ATOM 1918 O GLY A 121 -8.796 15.035 -19.002 1.00 0.00 O ATOM 0 H GLY A 121 -6.341 18.255 -17.882 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -7.148 16.740 -20.203 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.301 16.171 -18.778 1.00 0.00 H new TER 1922 GLY A 121