USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1124 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 9 THR OG1 : rot -56:sc= 0.0718 USER MOD Set 1.2: A 13 HIS : no HE2:sc= 0.47 K(o=0.54,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.298 (180deg=-0.223) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= -0.65 (180deg=-0.968) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-6.3!) USER MOD Single : A 22 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 100:sc= 0.347 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 32 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.8!) USER MOD Single : A 34 MET CE :methyl -111:sc= -0.885 (180deg=-2.87!) USER MOD Single : A 35 GLN : amide:sc= -0.737 K(o=-0.74,f=-4.4!) USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.00746) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.246 (180deg=-0.964) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.795 USER MOD Single : A 51 TYR OH : rot 139:sc= -0.897 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 56 CYS SG : rot -40:sc= -0.842! USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0647 USER MOD Single : A 60 TYR OH : rot 177:sc= 0.845 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 70 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.053) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 150:sc= 0.218 (180deg=-1.51!) USER MOD Single : A 81 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.2!) USER MOD Single : A 82 SER OG : rot 150:sc= -0.787! USER MOD Single : A 83 ASN : amide:sc= -3.56! K(o=-3.6!,f=-0.72) USER MOD Single : A 84 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -161:sc=-0.00347 (180deg=-0.106) USER MOD Single : A 94 THR OG1 : rot -160:sc= -0.0302 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 139:sc= 0.81! USER MOD Single : A 99 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.19) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.032) USER MOD Single : A 106 LYS NZ :NH3+ -147:sc= -0.0376 (180deg=-0.82) USER MOD Single : A 108 THR OG1 : rot -72:sc= -1.01! USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 121:sc= 0.456! USER MOD Single : A 122 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 123 MET CE :methyl -118:sc= -0.0057 (180deg=-0.0337) USER MOD Single : A 126 SER OG : rot 98:sc= -3.73! USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.22) USER MOD Single : A 134 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.53) USER MOD Single : A 136 GLN : amide:sc= -0.0344 K(o=-0.034,f=-0.72) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.686 -8.519 15.798 1.00 0.00 N ATOM 2 CA MET A 1 24.045 -9.924 15.449 1.00 0.00 C ATOM 3 C MET A 1 22.769 -10.735 15.244 1.00 0.00 C ATOM 4 O MET A 1 22.689 -11.565 14.338 1.00 0.00 O ATOM 5 CB MET A 1 24.874 -10.532 16.581 1.00 0.00 C ATOM 6 CG MET A 1 26.019 -9.583 16.944 1.00 0.00 C ATOM 7 SD MET A 1 26.772 -8.941 15.428 1.00 0.00 S ATOM 8 CE MET A 1 28.428 -9.622 15.689 1.00 0.00 C ATOM 0 H1 MET A 1 24.526 -7.913 15.706 1.00 0.00 H new ATOM 0 H2 MET A 1 22.943 -8.180 15.154 1.00 0.00 H new ATOM 0 H3 MET A 1 23.338 -8.483 16.777 1.00 0.00 H new ATOM 0 HA MET A 1 24.630 -9.938 14.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.244 -10.708 17.453 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.273 -11.499 16.275 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.645 -8.761 17.554 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.766 -10.108 17.540 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.072 -9.342 14.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.842 -9.226 16.616 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.369 -10.708 15.753 1.00 0.00 H new ATOM 20 N GLU A 2 21.774 -10.489 16.090 1.00 0.00 N ATOM 21 CA GLU A 2 20.505 -11.202 15.992 1.00 0.00 C ATOM 22 C GLU A 2 19.375 -10.237 15.647 1.00 0.00 C ATOM 23 O GLU A 2 19.552 -9.019 15.694 1.00 0.00 O ATOM 24 CB GLU A 2 20.195 -11.901 17.317 1.00 0.00 C ATOM 25 CG GLU A 2 21.244 -12.982 17.582 1.00 0.00 C ATOM 26 CD GLU A 2 21.483 -13.119 19.081 1.00 0.00 C ATOM 27 OE1 GLU A 2 20.511 -13.118 19.819 1.00 0.00 O ATOM 28 OE2 GLU A 2 22.635 -13.220 19.470 1.00 0.00 O ATOM 0 H GLU A 2 21.821 -9.806 16.846 1.00 0.00 H new ATOM 0 HA GLU A 2 20.587 -11.946 15.200 1.00 0.00 H new ATOM 0 HB2 GLU A 2 20.191 -11.176 18.131 1.00 0.00 H new ATOM 0 HB3 GLU A 2 19.200 -12.345 17.282 1.00 0.00 H new ATOM 0 HG2 GLU A 2 20.909 -13.934 17.170 1.00 0.00 H new ATOM 0 HG3 GLU A 2 22.176 -12.727 17.078 1.00 0.00 H new ATOM 35 N LYS A 3 18.216 -10.787 15.303 1.00 0.00 N ATOM 36 CA LYS A 3 17.067 -9.961 14.953 1.00 0.00 C ATOM 37 C LYS A 3 15.770 -10.624 15.404 1.00 0.00 C ATOM 38 O LYS A 3 15.487 -10.706 16.600 1.00 0.00 O ATOM 39 CB LYS A 3 17.028 -9.736 13.440 1.00 0.00 C ATOM 40 CG LYS A 3 18.331 -9.074 12.990 1.00 0.00 C ATOM 41 CD LYS A 3 18.180 -8.572 11.553 1.00 0.00 C ATOM 42 CE LYS A 3 19.466 -7.866 11.121 1.00 0.00 C ATOM 43 NZ LYS A 3 20.191 -7.374 12.328 1.00 0.00 N ATOM 0 H LYS A 3 18.048 -11.792 15.259 1.00 0.00 H new ATOM 0 HA LYS A 3 17.166 -9.002 15.461 1.00 0.00 H new ATOM 0 HB2 LYS A 3 16.893 -10.686 12.923 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.178 -9.107 13.177 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.577 -8.244 13.652 1.00 0.00 H new ATOM 0 HG3 LYS A 3 19.154 -9.786 13.053 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.969 -9.407 10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.335 -7.887 11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.099 -8.552 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.231 -7.032 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.971 -6.751 12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.534 -6.844 12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.574 -8.183 12.857 1.00 0.00 H new ATOM 57 N ASN A 4 14.982 -11.092 14.441 1.00 0.00 N ATOM 58 CA ASN A 4 13.715 -11.743 14.752 1.00 0.00 C ATOM 59 C ASN A 4 13.668 -13.147 14.156 1.00 0.00 C ATOM 60 O ASN A 4 12.875 -13.423 13.256 1.00 0.00 O ATOM 61 CB ASN A 4 12.554 -10.913 14.199 1.00 0.00 C ATOM 62 CG ASN A 4 12.004 -9.998 15.286 1.00 0.00 C ATOM 63 OD1 ASN A 4 10.987 -10.311 15.907 1.00 0.00 O ATOM 64 ND2 ASN A 4 12.616 -8.877 15.555 1.00 0.00 N ATOM 0 H ASN A 4 15.197 -11.033 13.446 1.00 0.00 H new ATOM 0 HA ASN A 4 13.626 -11.820 15.836 1.00 0.00 H new ATOM 0 HB2 ASN A 4 12.892 -10.320 13.350 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.766 -11.572 13.834 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.252 -8.259 16.280 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.458 -8.619 15.040 1.00 0.00 H new ATOM 71 N PRO A 5 14.498 -14.028 14.643 1.00 0.00 N ATOM 72 CA PRO A 5 14.559 -15.436 14.155 1.00 0.00 C ATOM 73 C PRO A 5 13.370 -16.264 14.638 1.00 0.00 C ATOM 74 O PRO A 5 12.665 -15.872 15.568 1.00 0.00 O ATOM 75 CB PRO A 5 15.867 -15.965 14.743 1.00 0.00 C ATOM 76 CG PRO A 5 16.114 -15.144 15.965 1.00 0.00 C ATOM 77 CD PRO A 5 15.473 -13.776 15.715 1.00 0.00 C ATOM 0 HA PRO A 5 14.521 -15.495 13.067 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.787 -17.023 14.991 1.00 0.00 H new ATOM 0 HB3 PRO A 5 16.686 -15.866 14.031 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.680 -15.619 16.845 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.183 -15.042 16.153 1.00 0.00 H new ATOM 0 HD2 PRO A 5 14.988 -13.393 16.613 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.215 -13.037 15.413 1.00 0.00 H new ATOM 85 N PRO A 6 13.144 -17.393 14.024 1.00 0.00 N ATOM 86 CA PRO A 6 12.018 -18.301 14.390 1.00 0.00 C ATOM 87 C PRO A 6 12.253 -18.993 15.730 1.00 0.00 C ATOM 88 O PRO A 6 13.342 -18.912 16.298 1.00 0.00 O ATOM 89 CB PRO A 6 11.983 -19.318 13.248 1.00 0.00 C ATOM 90 CG PRO A 6 13.364 -19.326 12.683 1.00 0.00 C ATOM 91 CD PRO A 6 13.938 -17.927 12.909 1.00 0.00 C ATOM 0 HA PRO A 6 11.079 -17.761 14.511 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.701 -20.306 13.611 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.251 -19.035 12.492 1.00 0.00 H new ATOM 0 HG2 PRO A 6 13.979 -20.081 13.174 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.346 -19.570 11.621 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.999 -17.966 13.157 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.842 -17.307 12.018 1.00 0.00 H new ATOM 99 N ASP A 7 11.225 -19.672 16.229 1.00 0.00 N ATOM 100 CA ASP A 7 11.333 -20.372 17.502 1.00 0.00 C ATOM 101 C ASP A 7 11.118 -21.871 17.314 1.00 0.00 C ATOM 102 O ASP A 7 10.422 -22.512 18.102 1.00 0.00 O ATOM 103 CB ASP A 7 10.298 -19.827 18.487 1.00 0.00 C ATOM 104 CG ASP A 7 10.759 -20.075 19.919 1.00 0.00 C ATOM 105 OD1 ASP A 7 11.326 -21.127 20.165 1.00 0.00 O ATOM 106 OD2 ASP A 7 10.538 -19.209 20.750 1.00 0.00 O ATOM 0 H ASP A 7 10.315 -19.752 15.775 1.00 0.00 H new ATOM 0 HA ASP A 7 12.335 -20.209 17.899 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.154 -18.759 18.322 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.335 -20.308 18.318 1.00 0.00 H new ATOM 111 N ASP A 8 11.719 -22.425 16.266 1.00 0.00 N ATOM 112 CA ASP A 8 11.587 -23.850 15.986 1.00 0.00 C ATOM 113 C ASP A 8 10.263 -24.139 15.286 1.00 0.00 C ATOM 114 O ASP A 8 10.126 -25.146 14.592 1.00 0.00 O ATOM 115 CB ASP A 8 11.664 -24.647 17.291 1.00 0.00 C ATOM 116 CG ASP A 8 12.296 -26.011 17.034 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.069 -26.117 16.097 1.00 0.00 O ATOM 118 OD2 ASP A 8 11.998 -26.930 17.779 1.00 0.00 O ATOM 0 H ASP A 8 12.298 -21.913 15.601 1.00 0.00 H new ATOM 0 HA ASP A 8 12.403 -24.150 15.329 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.251 -24.098 18.028 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.665 -24.773 17.709 1.00 0.00 H new ATOM 123 N THR A 9 9.294 -23.247 15.473 1.00 0.00 N ATOM 124 CA THR A 9 7.981 -23.408 14.857 1.00 0.00 C ATOM 125 C THR A 9 7.687 -24.880 14.585 1.00 0.00 C ATOM 126 O THR A 9 7.066 -25.226 13.580 1.00 0.00 O ATOM 127 CB THR A 9 7.921 -22.617 13.548 1.00 0.00 C ATOM 128 OG1 THR A 9 6.564 -22.384 13.199 1.00 0.00 O ATOM 129 CG2 THR A 9 8.609 -23.405 12.432 1.00 0.00 C ATOM 0 H THR A 9 9.393 -22.408 16.044 1.00 0.00 H new ATOM 0 HA THR A 9 7.228 -23.027 15.547 1.00 0.00 H new ATOM 0 HB THR A 9 8.433 -21.664 13.680 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.089 -23.239 13.144 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.563 -22.836 11.503 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.651 -23.579 12.699 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.104 -24.362 12.297 1.00 0.00 H new ATOM 137 N GLY A 10 8.134 -25.739 15.492 1.00 0.00 N ATOM 138 CA GLY A 10 7.915 -27.172 15.347 1.00 0.00 C ATOM 139 C GLY A 10 6.428 -27.502 15.365 1.00 0.00 C ATOM 140 O GLY A 10 5.898 -28.083 14.418 1.00 0.00 O ATOM 0 H GLY A 10 8.648 -25.470 16.331 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.357 -27.518 14.413 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.419 -27.704 16.154 1.00 0.00 H new ATOM 144 N PRO A 11 5.752 -27.139 16.421 1.00 0.00 N ATOM 145 CA PRO A 11 4.292 -27.394 16.574 1.00 0.00 C ATOM 146 C PRO A 11 3.510 -27.024 15.317 1.00 0.00 C ATOM 147 O PRO A 11 2.819 -26.006 15.281 1.00 0.00 O ATOM 148 CB PRO A 11 3.891 -26.503 17.750 1.00 0.00 C ATOM 149 CG PRO A 11 5.135 -26.328 18.557 1.00 0.00 C ATOM 150 CD PRO A 11 6.314 -26.443 17.588 1.00 0.00 C ATOM 0 HA PRO A 11 4.075 -28.449 16.741 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.509 -25.543 17.403 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.101 -26.965 18.342 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.138 -25.359 19.056 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.200 -27.088 19.336 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.705 -25.462 17.317 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.138 -27.004 18.028 1.00 0.00 H new ATOM 158 N VAL A 12 3.627 -27.856 14.289 1.00 0.00 N ATOM 159 CA VAL A 12 2.929 -27.607 13.035 1.00 0.00 C ATOM 160 C VAL A 12 1.543 -27.025 13.295 1.00 0.00 C ATOM 161 O VAL A 12 0.716 -27.641 13.967 1.00 0.00 O ATOM 162 CB VAL A 12 2.798 -28.910 12.244 1.00 0.00 C ATOM 163 CG1 VAL A 12 2.434 -30.051 13.195 1.00 0.00 C ATOM 164 CG2 VAL A 12 1.700 -28.757 11.188 1.00 0.00 C ATOM 0 H VAL A 12 4.195 -28.703 14.299 1.00 0.00 H new ATOM 0 HA VAL A 12 3.508 -26.886 12.457 1.00 0.00 H new ATOM 0 HB VAL A 12 3.746 -29.134 11.754 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.341 -30.979 12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.215 -30.161 13.948 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.486 -29.828 13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.606 -29.685 10.624 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.753 -28.533 11.678 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.959 -27.944 10.509 1.00 0.00 H new ATOM 174 N HIS A 13 1.297 -25.835 12.757 1.00 0.00 N ATOM 175 CA HIS A 13 0.007 -25.177 12.933 1.00 0.00 C ATOM 176 C HIS A 13 -0.684 -24.992 11.586 1.00 0.00 C ATOM 177 O HIS A 13 -0.672 -23.902 11.016 1.00 0.00 O ATOM 178 CB HIS A 13 0.201 -23.816 13.604 1.00 0.00 C ATOM 179 CG HIS A 13 1.506 -23.216 13.157 1.00 0.00 C ATOM 180 ND1 HIS A 13 1.888 -23.185 11.825 1.00 0.00 N ATOM 181 CD2 HIS A 13 2.529 -22.621 13.853 1.00 0.00 C ATOM 182 CE1 HIS A 13 3.093 -22.590 11.761 1.00 0.00 C ATOM 183 NE2 HIS A 13 3.530 -22.227 12.971 1.00 0.00 N ATOM 0 H HIS A 13 1.969 -25.309 12.199 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.619 -25.805 13.567 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.624 -23.151 13.347 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.193 -23.929 14.688 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.353 -23.548 11.036 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.553 -22.480 14.924 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.640 -22.426 10.844 1.00 0.00 H new ATOM 191 N VAL A 14 -1.280 -26.070 11.083 1.00 0.00 N ATOM 192 CA VAL A 14 -1.973 -26.029 9.799 1.00 0.00 C ATOM 193 C VAL A 14 -2.437 -24.610 9.474 1.00 0.00 C ATOM 194 O VAL A 14 -3.509 -24.185 9.906 1.00 0.00 O ATOM 195 CB VAL A 14 -3.182 -26.965 9.832 1.00 0.00 C ATOM 196 CG1 VAL A 14 -2.702 -28.415 9.935 1.00 0.00 C ATOM 197 CG2 VAL A 14 -4.053 -26.630 11.045 1.00 0.00 C ATOM 0 H VAL A 14 -1.297 -26.980 11.544 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.277 -26.353 9.025 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.764 -26.838 8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.563 -29.083 9.959 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.081 -28.655 9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.120 -28.542 10.848 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.915 -27.297 11.069 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.470 -26.757 11.957 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.395 -25.597 10.973 1.00 0.00 H new ATOM 207 N PRO A 15 -1.655 -23.876 8.723 1.00 0.00 N ATOM 208 CA PRO A 15 -1.992 -22.480 8.335 1.00 0.00 C ATOM 209 C PRO A 15 -2.976 -22.430 7.167 1.00 0.00 C ATOM 210 O PRO A 15 -2.998 -23.327 6.324 1.00 0.00 O ATOM 211 CB PRO A 15 -0.640 -21.888 7.939 1.00 0.00 C ATOM 212 CG PRO A 15 0.177 -23.045 7.464 1.00 0.00 C ATOM 213 CD PRO A 15 -0.361 -24.298 8.164 1.00 0.00 C ATOM 0 HA PRO A 15 -2.485 -21.934 9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.754 -21.139 7.155 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.165 -21.393 8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.105 -23.148 6.381 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.230 -22.895 7.700 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.481 -25.124 7.463 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.318 -24.639 8.946 1.00 0.00 H new ATOM 221 N LEU A 16 -3.785 -21.378 7.126 1.00 0.00 N ATOM 222 CA LEU A 16 -4.766 -21.223 6.058 1.00 0.00 C ATOM 223 C LEU A 16 -4.518 -19.931 5.286 1.00 0.00 C ATOM 224 O LEU A 16 -3.882 -19.938 4.232 1.00 0.00 O ATOM 225 CB LEU A 16 -6.180 -21.205 6.648 1.00 0.00 C ATOM 226 CG LEU A 16 -6.980 -22.392 6.106 1.00 0.00 C ATOM 227 CD1 LEU A 16 -6.409 -23.694 6.670 1.00 0.00 C ATOM 228 CD2 LEU A 16 -8.444 -22.253 6.529 1.00 0.00 C ATOM 0 H LEU A 16 -3.782 -20.625 7.814 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.668 -22.066 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.131 -21.253 7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.679 -20.270 6.392 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.914 -22.408 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.979 -24.539 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.366 -23.793 6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.475 -23.679 7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.016 -23.097 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.508 -22.237 7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.852 -21.325 6.128 1.00 0.00 H new ATOM 240 N GLY A 17 -5.027 -18.826 5.818 1.00 0.00 N ATOM 241 CA GLY A 17 -4.858 -17.529 5.172 1.00 0.00 C ATOM 242 C GLY A 17 -3.405 -17.070 5.235 1.00 0.00 C ATOM 243 O GLY A 17 -2.931 -16.615 6.277 1.00 0.00 O ATOM 0 H GLY A 17 -5.557 -18.801 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.178 -17.593 4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.497 -16.791 5.657 1.00 0.00 H new ATOM 247 N HIS A 18 -2.704 -17.189 4.112 1.00 0.00 N ATOM 248 CA HIS A 18 -1.305 -16.778 4.049 1.00 0.00 C ATOM 249 C HIS A 18 -1.147 -15.565 3.138 1.00 0.00 C ATOM 250 O HIS A 18 -1.966 -15.338 2.247 1.00 0.00 O ATOM 251 CB HIS A 18 -0.442 -17.931 3.530 1.00 0.00 C ATOM 252 CG HIS A 18 -0.770 -18.194 2.086 1.00 0.00 C ATOM 253 ND1 HIS A 18 -0.671 -17.212 1.112 1.00 0.00 N ATOM 254 CD2 HIS A 18 -1.192 -19.326 1.434 1.00 0.00 C ATOM 255 CE1 HIS A 18 -1.027 -17.767 -0.061 1.00 0.00 C ATOM 256 NE2 HIS A 18 -1.353 -19.054 0.078 1.00 0.00 N ATOM 0 H HIS A 18 -3.077 -17.563 3.240 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.978 -16.509 5.053 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.614 -17.684 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.620 -18.828 4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.372 -20.283 1.902 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.047 -17.236 -1.001 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.655 -19.699 -0.652 1.00 0.00 H new ATOM 264 N ILE A 19 -0.095 -14.786 3.368 1.00 0.00 N ATOM 265 CA ILE A 19 0.151 -13.597 2.559 1.00 0.00 C ATOM 266 C ILE A 19 1.331 -13.819 1.617 1.00 0.00 C ATOM 267 O ILE A 19 2.162 -14.699 1.843 1.00 0.00 O ATOM 268 CB ILE A 19 0.443 -12.399 3.466 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.618 -12.323 4.567 1.00 0.00 C ATOM 270 CG2 ILE A 19 0.413 -11.113 2.640 1.00 0.00 C ATOM 271 CD1 ILE A 19 -2.012 -12.310 3.936 1.00 0.00 C ATOM 0 H ILE A 19 0.595 -14.954 4.100 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.741 -13.398 1.965 1.00 0.00 H new ATOM 0 HB ILE A 19 1.428 -12.517 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.520 -13.175 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.471 -11.425 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.621 -10.260 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.168 -11.167 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.572 -10.994 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.766 -12.256 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.107 -11.444 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.157 -13.221 3.356 1.00 0.00 H new ATOM 283 N VAL A 20 1.397 -13.015 0.560 1.00 0.00 N ATOM 284 CA VAL A 20 2.480 -13.131 -0.410 1.00 0.00 C ATOM 285 C VAL A 20 3.179 -11.789 -0.597 1.00 0.00 C ATOM 286 O VAL A 20 2.534 -10.740 -0.615 1.00 0.00 O ATOM 287 CB VAL A 20 1.931 -13.612 -1.754 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.990 -14.453 -2.467 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.679 -14.461 -1.519 1.00 0.00 C ATOM 0 H VAL A 20 0.719 -12.281 0.354 1.00 0.00 H new ATOM 0 HA VAL A 20 3.202 -13.855 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 20 1.676 -12.750 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.598 -14.796 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.882 -13.849 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.246 -15.315 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.287 -14.804 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.934 -15.322 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.077 -13.862 -1.011 1.00 0.00 H new ATOM 299 N ALA A 21 4.500 -11.829 -0.736 1.00 0.00 N ATOM 300 CA ALA A 21 5.276 -10.608 -0.922 1.00 0.00 C ATOM 301 C ALA A 21 6.145 -10.710 -2.171 1.00 0.00 C ATOM 302 O ALA A 21 6.665 -11.778 -2.492 1.00 0.00 O ATOM 303 CB ALA A 21 6.162 -10.363 0.301 1.00 0.00 C ATOM 0 H ALA A 21 5.052 -12.686 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 21 4.584 -9.774 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.739 -9.450 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.537 -10.260 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.842 -11.205 0.432 1.00 0.00 H new ATOM 309 N ASN A 22 6.299 -9.591 -2.871 1.00 0.00 N ATOM 310 CA ASN A 22 7.107 -9.566 -4.085 1.00 0.00 C ATOM 311 C ASN A 22 8.566 -9.865 -3.762 1.00 0.00 C ATOM 312 O ASN A 22 9.143 -9.278 -2.846 1.00 0.00 O ATOM 313 CB ASN A 22 7.001 -8.195 -4.756 1.00 0.00 C ATOM 314 CG ASN A 22 7.349 -8.312 -6.235 1.00 0.00 C ATOM 315 OD1 ASN A 22 6.766 -9.129 -6.949 1.00 0.00 O ATOM 316 ND2 ASN A 22 8.272 -7.542 -6.742 1.00 0.00 N ATOM 0 H ASN A 22 5.879 -8.696 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 22 6.732 -10.332 -4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.991 -7.802 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.675 -7.490 -4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.512 -7.616 -7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.754 -6.866 -6.150 1.00 0.00 H new ATOM 323 N GLU A 23 9.160 -10.780 -4.521 1.00 0.00 N ATOM 324 CA GLU A 23 10.554 -11.148 -4.307 1.00 0.00 C ATOM 325 C GLU A 23 11.396 -9.909 -4.021 1.00 0.00 C ATOM 326 O GLU A 23 12.364 -9.964 -3.263 1.00 0.00 O ATOM 327 CB GLU A 23 11.102 -11.866 -5.542 1.00 0.00 C ATOM 328 CG GLU A 23 12.598 -12.134 -5.357 1.00 0.00 C ATOM 329 CD GLU A 23 13.407 -11.256 -6.306 1.00 0.00 C ATOM 330 OE1 GLU A 23 12.929 -11.004 -7.400 1.00 0.00 O ATOM 331 OE2 GLU A 23 14.492 -10.850 -5.925 1.00 0.00 O ATOM 0 H GLU A 23 8.701 -11.277 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 23 10.606 -11.816 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.570 -12.805 -5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.938 -11.258 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.887 -11.932 -4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.814 -13.185 -5.548 1.00 0.00 H new ATOM 338 N LYS A 24 11.017 -8.791 -4.633 1.00 0.00 N ATOM 339 CA LYS A 24 11.743 -7.541 -4.438 1.00 0.00 C ATOM 340 C LYS A 24 11.367 -6.907 -3.102 1.00 0.00 C ATOM 341 O LYS A 24 12.177 -6.220 -2.479 1.00 0.00 O ATOM 342 CB LYS A 24 11.417 -6.571 -5.575 1.00 0.00 C ATOM 343 CG LYS A 24 12.427 -5.424 -5.570 1.00 0.00 C ATOM 344 CD LYS A 24 13.775 -5.927 -6.093 1.00 0.00 C ATOM 345 CE LYS A 24 14.266 -5.006 -7.211 1.00 0.00 C ATOM 346 NZ LYS A 24 14.709 -3.708 -6.627 1.00 0.00 N ATOM 0 H LYS A 24 10.218 -8.725 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 24 12.812 -7.756 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.447 -7.092 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.406 -6.181 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.066 -4.605 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.541 -5.030 -4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.504 -5.954 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.675 -6.947 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.090 -5.476 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.469 -4.838 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.043 -3.081 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.911 -3.259 -6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.482 -3.877 -5.952 1.00 0.00 H new ATOM 360 N TRP A 25 10.134 -7.142 -2.669 1.00 0.00 N ATOM 361 CA TRP A 25 9.654 -6.591 -1.406 1.00 0.00 C ATOM 362 C TRP A 25 10.195 -7.397 -0.229 1.00 0.00 C ATOM 363 O TRP A 25 10.071 -6.988 0.926 1.00 0.00 O ATOM 364 CB TRP A 25 8.124 -6.611 -1.383 1.00 0.00 C ATOM 365 CG TRP A 25 7.618 -5.585 -0.421 1.00 0.00 C ATOM 366 CD1 TRP A 25 6.885 -5.854 0.684 1.00 0.00 C ATOM 367 CD2 TRP A 25 7.786 -4.138 -0.458 1.00 0.00 C ATOM 368 NE1 TRP A 25 6.591 -4.664 1.326 1.00 0.00 N ATOM 369 CE2 TRP A 25 7.125 -3.579 0.662 1.00 0.00 C ATOM 370 CE3 TRP A 25 8.440 -3.264 -1.345 1.00 0.00 C ATOM 371 CZ2 TRP A 25 7.114 -2.202 0.893 1.00 0.00 C ATOM 372 CZ3 TRP A 25 8.430 -1.878 -1.116 1.00 0.00 C ATOM 373 CH2 TRP A 25 7.769 -1.349 0.002 1.00 0.00 C ATOM 0 H TRP A 25 9.450 -7.708 -3.171 1.00 0.00 H new ATOM 0 HA TRP A 25 10.008 -5.564 -1.318 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.734 -6.411 -2.381 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.769 -7.600 -1.094 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.579 -6.837 1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.046 -4.597 2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 25 8.953 -3.661 -2.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.603 -1.799 1.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.934 -1.216 -1.805 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.766 -0.283 0.174 1.00 0.00 H new ATOM 384 N ARG A 26 10.793 -8.547 -0.530 1.00 0.00 N ATOM 385 CA ARG A 26 11.349 -9.404 0.510 1.00 0.00 C ATOM 386 C ARG A 26 12.430 -8.667 1.297 1.00 0.00 C ATOM 387 O ARG A 26 12.555 -8.839 2.509 1.00 0.00 O ATOM 388 CB ARG A 26 11.942 -10.667 -0.119 1.00 0.00 C ATOM 389 CG ARG A 26 12.913 -11.324 0.866 1.00 0.00 C ATOM 390 CD ARG A 26 12.853 -12.844 0.703 1.00 0.00 C ATOM 391 NE ARG A 26 14.057 -13.459 1.250 1.00 0.00 N ATOM 392 CZ ARG A 26 15.158 -13.590 0.514 1.00 0.00 C ATOM 393 NH1 ARG A 26 15.174 -13.161 -0.717 1.00 0.00 N ATOM 394 NH2 ARG A 26 16.221 -14.148 1.026 1.00 0.00 N ATOM 0 H ARG A 26 10.904 -8.904 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 26 10.547 -9.680 1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.146 -11.364 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.461 -10.416 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.927 -10.968 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.655 -11.047 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.973 -13.237 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.753 -13.100 -0.352 1.00 0.00 H new ATOM 0 HE ARG A 26 14.055 -13.794 2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.343 -12.725 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.018 -13.261 -1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.207 -14.483 1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.065 -14.249 0.463 1.00 0.00 H new ATOM 408 N GLY A 27 13.209 -7.848 0.599 1.00 0.00 N ATOM 409 CA GLY A 27 14.276 -7.091 1.244 1.00 0.00 C ATOM 410 C GLY A 27 13.707 -6.030 2.181 1.00 0.00 C ATOM 411 O GLY A 27 14.207 -4.907 2.238 1.00 0.00 O ATOM 0 H GLY A 27 13.123 -7.692 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.919 -7.769 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.898 -6.615 0.486 1.00 0.00 H new ATOM 415 N SER A 28 12.660 -6.393 2.915 1.00 0.00 N ATOM 416 CA SER A 28 12.034 -5.463 3.845 1.00 0.00 C ATOM 417 C SER A 28 11.904 -6.091 5.228 1.00 0.00 C ATOM 418 O SER A 28 11.520 -7.254 5.358 1.00 0.00 O ATOM 419 CB SER A 28 10.650 -5.065 3.334 1.00 0.00 C ATOM 420 OG SER A 28 10.784 -4.396 2.087 1.00 0.00 O ATOM 0 H SER A 28 12.231 -7.318 2.884 1.00 0.00 H new ATOM 0 HA SER A 28 12.664 -4.576 3.919 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.024 -5.950 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.156 -4.416 4.057 1.00 0.00 H new ATOM 0 HG SER A 28 10.583 -5.019 1.358 1.00 0.00 H new ATOM 426 N GLN A 29 12.222 -5.315 6.258 1.00 0.00 N ATOM 427 CA GLN A 29 12.132 -5.806 7.627 1.00 0.00 C ATOM 428 C GLN A 29 10.674 -6.038 8.009 1.00 0.00 C ATOM 429 O GLN A 29 10.374 -6.794 8.932 1.00 0.00 O ATOM 430 CB GLN A 29 12.762 -4.796 8.588 1.00 0.00 C ATOM 431 CG GLN A 29 13.964 -4.132 7.912 1.00 0.00 C ATOM 432 CD GLN A 29 15.105 -3.978 8.912 1.00 0.00 C ATOM 433 OE1 GLN A 29 15.610 -4.970 9.438 1.00 0.00 O ATOM 434 NE2 GLN A 29 15.548 -2.785 9.205 1.00 0.00 N ATOM 0 H GLN A 29 12.542 -4.350 6.172 1.00 0.00 H new ATOM 0 HA GLN A 29 12.671 -6.751 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.028 -4.042 8.873 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.076 -5.296 9.504 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.292 -4.732 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.678 -3.156 7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.129 -1.964 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.313 -2.674 9.870 1.00 0.00 H new ATOM 443 N LEU A 30 9.772 -5.381 7.286 1.00 0.00 N ATOM 444 CA LEU A 30 8.347 -5.518 7.548 1.00 0.00 C ATOM 445 C LEU A 30 7.858 -6.894 7.107 1.00 0.00 C ATOM 446 O LEU A 30 7.234 -7.620 7.882 1.00 0.00 O ATOM 447 CB LEU A 30 7.587 -4.412 6.804 1.00 0.00 C ATOM 448 CG LEU A 30 6.250 -4.939 6.266 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.481 -5.657 7.378 1.00 0.00 C ATOM 450 CD2 LEU A 30 5.417 -3.763 5.753 1.00 0.00 C ATOM 0 H LEU A 30 10.003 -4.751 6.518 1.00 0.00 H new ATOM 0 HA LEU A 30 8.164 -5.420 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.409 -3.572 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.194 -4.038 5.980 1.00 0.00 H new ATOM 0 HG LEU A 30 6.442 -5.642 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.534 -6.027 6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.073 -6.495 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.288 -4.961 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.465 -4.131 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.233 -3.064 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.958 -3.255 4.955 1.00 0.00 H new ATOM 462 N ALA A 31 8.150 -7.250 5.861 1.00 0.00 N ATOM 463 CA ALA A 31 7.739 -8.544 5.331 1.00 0.00 C ATOM 464 C ALA A 31 8.115 -9.661 6.299 1.00 0.00 C ATOM 465 O ALA A 31 7.469 -10.708 6.337 1.00 0.00 O ATOM 466 CB ALA A 31 8.413 -8.790 3.980 1.00 0.00 C ATOM 0 H ALA A 31 8.666 -6.665 5.203 1.00 0.00 H new ATOM 0 HA ALA A 31 6.657 -8.538 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.102 -9.759 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.123 -8.006 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.496 -8.781 4.106 1.00 0.00 H new ATOM 472 N GLN A 32 9.166 -9.430 7.081 1.00 0.00 N ATOM 473 CA GLN A 32 9.622 -10.423 8.046 1.00 0.00 C ATOM 474 C GLN A 32 8.748 -10.402 9.297 1.00 0.00 C ATOM 475 O GLN A 32 8.504 -11.440 9.912 1.00 0.00 O ATOM 476 CB GLN A 32 11.076 -10.142 8.433 1.00 0.00 C ATOM 477 CG GLN A 32 11.978 -10.352 7.215 1.00 0.00 C ATOM 478 CD GLN A 32 13.319 -9.660 7.435 1.00 0.00 C ATOM 479 OE1 GLN A 32 13.605 -8.644 6.803 1.00 0.00 O ATOM 480 NE2 GLN A 32 14.164 -10.155 8.297 1.00 0.00 N ATOM 0 H GLN A 32 9.714 -8.570 7.065 1.00 0.00 H new ATOM 0 HA GLN A 32 9.550 -11.408 7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.175 -9.120 8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.382 -10.803 9.244 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.133 -11.418 7.046 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.496 -9.954 6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.925 -10.997 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.064 -9.700 8.448 1.00 0.00 H new ATOM 489 N GLU A 33 8.283 -9.214 9.669 1.00 0.00 N ATOM 490 CA GLU A 33 7.439 -9.069 10.850 1.00 0.00 C ATOM 491 C GLU A 33 6.182 -9.925 10.725 1.00 0.00 C ATOM 492 O GLU A 33 5.778 -10.593 11.677 1.00 0.00 O ATOM 493 CB GLU A 33 7.041 -7.602 11.031 1.00 0.00 C ATOM 494 CG GLU A 33 8.282 -6.775 11.376 1.00 0.00 C ATOM 495 CD GLU A 33 8.419 -6.647 12.889 1.00 0.00 C ATOM 496 OE1 GLU A 33 7.637 -7.267 13.590 1.00 0.00 O ATOM 497 OE2 GLU A 33 9.306 -5.930 13.325 1.00 0.00 O ATOM 0 H GLU A 33 8.474 -8.343 9.174 1.00 0.00 H new ATOM 0 HA GLU A 33 8.006 -9.404 11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.581 -7.224 10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.298 -7.511 11.824 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.172 -7.248 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.207 -5.786 10.924 1.00 0.00 H new ATOM 504 N MET A 34 5.567 -9.896 9.547 1.00 0.00 N ATOM 505 CA MET A 34 4.355 -10.672 9.311 1.00 0.00 C ATOM 506 C MET A 34 4.580 -12.143 9.645 1.00 0.00 C ATOM 507 O MET A 34 3.666 -12.834 10.092 1.00 0.00 O ATOM 508 CB MET A 34 3.930 -10.539 7.847 1.00 0.00 C ATOM 509 CG MET A 34 3.376 -9.134 7.605 1.00 0.00 C ATOM 510 SD MET A 34 3.512 -8.724 5.848 1.00 0.00 S ATOM 511 CE MET A 34 2.490 -7.230 5.886 1.00 0.00 C ATOM 0 H MET A 34 5.885 -9.348 8.747 1.00 0.00 H new ATOM 0 HA MET A 34 3.568 -10.284 9.958 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.781 -10.724 7.191 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.174 -11.286 7.607 1.00 0.00 H new ATOM 0 HG2 MET A 34 2.334 -9.083 7.921 1.00 0.00 H new ATOM 0 HG3 MET A 34 3.926 -8.407 8.202 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.559 -7.412 5.349 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.267 -6.968 6.920 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.028 -6.409 5.412 1.00 0.00 H new ATOM 521 N GLN A 35 5.803 -12.613 9.425 1.00 0.00 N ATOM 522 CA GLN A 35 6.135 -14.005 9.707 1.00 0.00 C ATOM 523 C GLN A 35 6.178 -14.252 11.211 1.00 0.00 C ATOM 524 O GLN A 35 6.599 -15.317 11.664 1.00 0.00 O ATOM 525 CB GLN A 35 7.492 -14.352 9.091 1.00 0.00 C ATOM 526 CG GLN A 35 7.293 -14.816 7.646 1.00 0.00 C ATOM 527 CD GLN A 35 6.851 -16.275 7.623 1.00 0.00 C ATOM 528 OE1 GLN A 35 5.923 -16.654 8.336 1.00 0.00 O ATOM 529 NE2 GLN A 35 7.463 -17.119 6.839 1.00 0.00 N ATOM 0 H GLN A 35 6.574 -12.057 9.056 1.00 0.00 H new ATOM 0 HA GLN A 35 5.364 -14.639 9.269 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.149 -13.482 9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.977 -15.136 9.672 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.545 -14.193 7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.221 -14.700 7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.232 -16.801 6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.172 -18.096 6.816 1.00 0.00 H new ATOM 538 N GLY A 36 5.740 -13.261 11.981 1.00 0.00 N ATOM 539 CA GLY A 36 5.734 -13.381 13.434 1.00 0.00 C ATOM 540 C GLY A 36 4.371 -13.844 13.937 1.00 0.00 C ATOM 541 O GLY A 36 4.220 -14.204 15.105 1.00 0.00 O ATOM 0 H GLY A 36 5.387 -12.372 11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.501 -14.089 13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.984 -12.420 13.883 1.00 0.00 H new ATOM 545 N LYS A 37 3.381 -13.832 13.051 1.00 0.00 N ATOM 546 CA LYS A 37 2.035 -14.251 13.420 1.00 0.00 C ATOM 547 C LYS A 37 1.374 -15.013 12.273 1.00 0.00 C ATOM 548 O LYS A 37 0.829 -16.099 12.469 1.00 0.00 O ATOM 549 CB LYS A 37 1.190 -13.026 13.781 1.00 0.00 C ATOM 550 CG LYS A 37 2.000 -12.102 14.694 1.00 0.00 C ATOM 551 CD LYS A 37 1.093 -11.000 15.242 1.00 0.00 C ATOM 552 CE LYS A 37 1.860 -9.676 15.275 1.00 0.00 C ATOM 553 NZ LYS A 37 0.934 -8.574 15.664 1.00 0.00 N ATOM 0 H LYS A 37 3.484 -13.539 12.079 1.00 0.00 H new ATOM 0 HA LYS A 37 2.103 -14.913 14.284 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.895 -12.494 12.876 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.273 -13.337 14.281 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.432 -12.673 15.515 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.830 -11.662 14.140 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.204 -10.902 14.618 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.752 -11.260 16.244 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.685 -9.739 15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.295 -9.471 14.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.400 -7.657 15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.070 -8.626 15.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.685 -8.668 16.669 1.00 0.00 H new ATOM 567 N ILE A 38 1.432 -14.438 11.075 1.00 0.00 N ATOM 568 CA ILE A 38 0.840 -15.074 9.903 1.00 0.00 C ATOM 569 C ILE A 38 1.931 -15.645 9.002 1.00 0.00 C ATOM 570 O ILE A 38 3.108 -15.320 9.157 1.00 0.00 O ATOM 571 CB ILE A 38 0.006 -14.055 9.122 1.00 0.00 C ATOM 572 CG1 ILE A 38 -0.926 -14.786 8.152 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.936 -13.133 8.331 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.884 -15.683 8.939 1.00 0.00 C ATOM 0 H ILE A 38 1.879 -13.540 10.891 1.00 0.00 H new ATOM 0 HA ILE A 38 0.196 -15.888 10.236 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.587 -13.465 9.821 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.490 -14.065 7.561 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.343 -15.385 7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.342 -12.407 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.599 -12.608 9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.530 -13.725 7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.547 -16.203 8.247 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.312 -16.413 9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.477 -15.073 9.620 1.00 0.00 H new ATOM 586 N LYS A 39 1.535 -16.494 8.059 1.00 0.00 N ATOM 587 CA LYS A 39 2.494 -17.100 7.142 1.00 0.00 C ATOM 588 C LYS A 39 2.744 -16.178 5.953 1.00 0.00 C ATOM 589 O LYS A 39 1.835 -15.493 5.485 1.00 0.00 O ATOM 590 CB LYS A 39 1.968 -18.448 6.646 1.00 0.00 C ATOM 591 CG LYS A 39 3.094 -19.213 5.949 1.00 0.00 C ATOM 592 CD LYS A 39 2.496 -20.266 5.013 1.00 0.00 C ATOM 593 CE LYS A 39 3.618 -20.953 4.232 1.00 0.00 C ATOM 594 NZ LYS A 39 4.791 -21.158 5.126 1.00 0.00 N ATOM 0 H LYS A 39 0.566 -16.776 7.910 1.00 0.00 H new ATOM 0 HA LYS A 39 3.432 -17.255 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.583 -19.030 7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.138 -18.294 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.721 -18.523 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.735 -19.692 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.936 -21.003 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.793 -19.798 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.272 -21.911 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.903 -20.345 3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.412 -21.887 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.318 -20.266 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.463 -21.464 6.064 1.00 0.00 H new ATOM 608 N LEU A 40 3.984 -16.160 5.475 1.00 0.00 N ATOM 609 CA LEU A 40 4.342 -15.313 4.344 1.00 0.00 C ATOM 610 C LEU A 40 5.037 -16.124 3.256 1.00 0.00 C ATOM 611 O LEU A 40 5.617 -17.176 3.527 1.00 0.00 O ATOM 612 CB LEU A 40 5.267 -14.187 4.812 1.00 0.00 C ATOM 613 CG LEU A 40 5.369 -13.121 3.721 1.00 0.00 C ATOM 614 CD1 LEU A 40 4.023 -12.409 3.577 1.00 0.00 C ATOM 615 CD2 LEU A 40 6.445 -12.103 4.103 1.00 0.00 C ATOM 0 H LEU A 40 4.752 -16.717 5.850 1.00 0.00 H new ATOM 0 HA LEU A 40 3.427 -14.889 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.883 -13.745 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.256 -14.586 5.039 1.00 0.00 H new ATOM 0 HG LEU A 40 5.634 -13.593 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.095 -11.649 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.255 -13.134 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.758 -11.936 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.519 -11.342 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.180 -11.631 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.405 -12.610 4.207 1.00 0.00 H new ATOM 627 N ILE A 41 4.974 -15.624 2.026 1.00 0.00 N ATOM 628 CA ILE A 41 5.602 -16.304 0.899 1.00 0.00 C ATOM 629 C ILE A 41 6.135 -15.287 -0.104 1.00 0.00 C ATOM 630 O ILE A 41 5.515 -14.249 -0.338 1.00 0.00 O ATOM 631 CB ILE A 41 4.590 -17.221 0.210 1.00 0.00 C ATOM 632 CG1 ILE A 41 3.945 -18.141 1.249 1.00 0.00 C ATOM 633 CG2 ILE A 41 5.305 -18.070 -0.845 1.00 0.00 C ATOM 634 CD1 ILE A 41 2.893 -19.020 0.570 1.00 0.00 C ATOM 0 H ILE A 41 4.497 -14.755 1.785 1.00 0.00 H new ATOM 0 HA ILE A 41 6.433 -16.901 1.274 1.00 0.00 H new ATOM 0 HB ILE A 41 3.821 -16.616 -0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.705 -18.764 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.484 -17.548 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.584 -18.723 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.766 -17.417 -1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.075 -18.675 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.434 -19.675 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.127 -18.389 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.368 -19.623 -0.204 1.00 0.00 H new ATOM 646 N PHE A 42 7.288 -15.588 -0.693 1.00 0.00 N ATOM 647 CA PHE A 42 7.894 -14.687 -1.668 1.00 0.00 C ATOM 648 C PHE A 42 7.695 -15.214 -3.085 1.00 0.00 C ATOM 649 O PHE A 42 8.015 -16.365 -3.382 1.00 0.00 O ATOM 650 CB PHE A 42 9.389 -14.541 -1.382 1.00 0.00 C ATOM 651 CG PHE A 42 9.675 -14.968 0.038 1.00 0.00 C ATOM 652 CD1 PHE A 42 9.537 -14.051 1.087 1.00 0.00 C ATOM 653 CD2 PHE A 42 10.079 -16.282 0.306 1.00 0.00 C ATOM 654 CE1 PHE A 42 9.803 -14.447 2.403 1.00 0.00 C ATOM 655 CE2 PHE A 42 10.346 -16.678 1.622 1.00 0.00 C ATOM 656 CZ PHE A 42 10.208 -15.761 2.671 1.00 0.00 C ATOM 0 H PHE A 42 7.818 -16.441 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 42 7.410 -13.714 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.964 -15.150 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.699 -13.507 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.225 -13.038 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.185 -16.990 -0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.696 -13.739 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.658 -17.691 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.414 -16.067 3.686 1.00 0.00 H new ATOM 666 N GLU A 43 7.165 -14.362 -3.957 1.00 0.00 N ATOM 667 CA GLU A 43 6.929 -14.749 -5.344 1.00 0.00 C ATOM 668 C GLU A 43 7.564 -13.738 -6.295 1.00 0.00 C ATOM 669 O GLU A 43 7.284 -12.542 -6.223 1.00 0.00 O ATOM 670 CB GLU A 43 5.426 -14.835 -5.615 1.00 0.00 C ATOM 671 CG GLU A 43 4.851 -16.065 -4.909 1.00 0.00 C ATOM 672 CD GLU A 43 3.359 -16.183 -5.202 1.00 0.00 C ATOM 673 OE1 GLU A 43 2.964 -15.849 -6.306 1.00 0.00 O ATOM 674 OE2 GLU A 43 2.634 -16.605 -4.316 1.00 0.00 O ATOM 0 H GLU A 43 6.892 -13.406 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 43 7.383 -15.726 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.929 -13.932 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.242 -14.899 -6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.369 -16.963 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.014 -15.987 -3.834 1.00 0.00 H new ATOM 681 N ASP A 44 8.425 -14.228 -7.182 1.00 0.00 N ATOM 682 CA ASP A 44 9.099 -13.359 -8.140 1.00 0.00 C ATOM 683 C ASP A 44 8.300 -13.259 -9.435 1.00 0.00 C ATOM 684 O ASP A 44 8.434 -14.100 -10.325 1.00 0.00 O ATOM 685 CB ASP A 44 10.496 -13.902 -8.441 1.00 0.00 C ATOM 686 CG ASP A 44 10.975 -13.389 -9.795 1.00 0.00 C ATOM 687 OD1 ASP A 44 10.887 -12.193 -10.018 1.00 0.00 O ATOM 688 OD2 ASP A 44 11.421 -14.200 -10.590 1.00 0.00 O ATOM 0 H ASP A 44 8.671 -15.215 -7.257 1.00 0.00 H new ATOM 0 HA ASP A 44 9.180 -12.364 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.191 -13.594 -7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.479 -14.992 -8.441 1.00 0.00 H new ATOM 693 N GLY A 45 7.470 -12.227 -9.534 1.00 0.00 N ATOM 694 CA GLY A 45 6.655 -12.026 -10.726 1.00 0.00 C ATOM 695 C GLY A 45 5.567 -10.990 -10.471 1.00 0.00 C ATOM 696 O GLY A 45 5.176 -10.251 -11.375 1.00 0.00 O ATOM 0 H GLY A 45 7.344 -11.521 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.286 -11.701 -11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.201 -12.971 -11.025 1.00 0.00 H new ATOM 700 N LEU A 46 5.082 -10.939 -9.235 1.00 0.00 N ATOM 701 CA LEU A 46 4.040 -9.987 -8.873 1.00 0.00 C ATOM 702 C LEU A 46 4.574 -8.559 -8.941 1.00 0.00 C ATOM 703 O LEU A 46 5.783 -8.335 -8.900 1.00 0.00 O ATOM 704 CB LEU A 46 3.532 -10.280 -7.461 1.00 0.00 C ATOM 705 CG LEU A 46 2.443 -11.353 -7.525 1.00 0.00 C ATOM 706 CD1 LEU A 46 3.041 -12.657 -8.057 1.00 0.00 C ATOM 707 CD2 LEU A 46 1.878 -11.588 -6.123 1.00 0.00 C ATOM 0 H LEU A 46 5.391 -11.541 -8.472 1.00 0.00 H new ATOM 0 HA LEU A 46 3.217 -10.089 -9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.354 -10.618 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.136 -9.371 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 46 1.645 -11.021 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.265 -13.421 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.446 -12.491 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.839 -12.989 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.102 -12.352 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.677 -11.920 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.452 -10.660 -5.742 1.00 0.00 H new ATOM 719 N THR A 47 3.663 -7.597 -9.050 1.00 0.00 N ATOM 720 CA THR A 47 4.056 -6.194 -9.126 1.00 0.00 C ATOM 721 C THR A 47 3.808 -5.490 -7.795 1.00 0.00 C ATOM 722 O THR A 47 4.675 -4.786 -7.281 1.00 0.00 O ATOM 723 CB THR A 47 3.263 -5.492 -10.234 1.00 0.00 C ATOM 724 OG1 THR A 47 2.363 -6.418 -10.827 1.00 0.00 O ATOM 725 CG2 THR A 47 4.225 -4.958 -11.298 1.00 0.00 C ATOM 0 H THR A 47 2.657 -7.760 -9.087 1.00 0.00 H new ATOM 0 HA THR A 47 5.121 -6.147 -9.352 1.00 0.00 H new ATOM 0 HB THR A 47 2.702 -4.660 -9.808 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.853 -5.971 -11.535 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.658 -4.460 -12.084 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.914 -4.247 -10.842 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.789 -5.786 -11.727 1.00 0.00 H new ATOM 733 N PRO A 48 2.641 -5.668 -7.239 1.00 0.00 N ATOM 734 CA PRO A 48 2.260 -5.037 -5.942 1.00 0.00 C ATOM 735 C PRO A 48 3.237 -5.391 -4.824 1.00 0.00 C ATOM 736 O PRO A 48 4.286 -5.987 -5.069 1.00 0.00 O ATOM 737 CB PRO A 48 0.866 -5.599 -5.647 1.00 0.00 C ATOM 738 CG PRO A 48 0.342 -6.092 -6.956 1.00 0.00 C ATOM 739 CD PRO A 48 1.556 -6.492 -7.789 1.00 0.00 C ATOM 0 HA PRO A 48 2.276 -3.949 -6.001 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.916 -6.406 -4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.215 -4.831 -5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.325 -6.942 -6.811 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.235 -5.316 -7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.774 -7.556 -7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.398 -6.292 -8.849 1.00 0.00 H new ATOM 747 N ASP A 49 2.886 -5.018 -3.597 1.00 0.00 N ATOM 748 CA ASP A 49 3.741 -5.302 -2.450 1.00 0.00 C ATOM 749 C ASP A 49 3.267 -6.555 -1.720 1.00 0.00 C ATOM 750 O ASP A 49 4.034 -7.498 -1.526 1.00 0.00 O ATOM 751 CB ASP A 49 3.735 -4.115 -1.484 1.00 0.00 C ATOM 752 CG ASP A 49 4.879 -3.160 -1.814 1.00 0.00 C ATOM 753 OD1 ASP A 49 5.858 -3.611 -2.384 1.00 0.00 O ATOM 754 OD2 ASP A 49 4.757 -1.990 -1.489 1.00 0.00 O ATOM 0 H ASP A 49 2.023 -4.523 -3.373 1.00 0.00 H new ATOM 0 HA ASP A 49 4.755 -5.470 -2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.783 -3.589 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.833 -4.471 -0.458 1.00 0.00 H new ATOM 759 N PHE A 50 2.000 -6.560 -1.314 1.00 0.00 N ATOM 760 CA PHE A 50 1.444 -7.706 -0.605 1.00 0.00 C ATOM 761 C PHE A 50 0.181 -8.207 -1.299 1.00 0.00 C ATOM 762 O PHE A 50 -0.733 -7.434 -1.583 1.00 0.00 O ATOM 763 CB PHE A 50 1.122 -7.318 0.841 1.00 0.00 C ATOM 764 CG PHE A 50 2.406 -7.031 1.581 1.00 0.00 C ATOM 765 CD1 PHE A 50 3.266 -8.082 1.924 1.00 0.00 C ATOM 766 CD2 PHE A 50 2.738 -5.714 1.926 1.00 0.00 C ATOM 767 CE1 PHE A 50 4.457 -7.816 2.611 1.00 0.00 C ATOM 768 CE2 PHE A 50 3.928 -5.449 2.613 1.00 0.00 C ATOM 769 CZ PHE A 50 4.788 -6.499 2.955 1.00 0.00 C ATOM 0 H PHE A 50 1.346 -5.792 -1.462 1.00 0.00 H new ATOM 0 HA PHE A 50 2.183 -8.507 -0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.475 -6.441 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.578 -8.124 1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.011 -9.097 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.075 -4.903 1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.120 -8.626 2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.183 -4.434 2.879 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.707 -6.294 3.484 1.00 0.00 H new ATOM 779 N TYR A 51 0.142 -9.508 -1.573 1.00 0.00 N ATOM 780 CA TYR A 51 -1.011 -10.107 -2.238 1.00 0.00 C ATOM 781 C TYR A 51 -1.814 -10.957 -1.258 1.00 0.00 C ATOM 782 O TYR A 51 -1.401 -12.057 -0.893 1.00 0.00 O ATOM 783 CB TYR A 51 -0.539 -10.978 -3.404 1.00 0.00 C ATOM 784 CG TYR A 51 -1.586 -10.986 -4.493 1.00 0.00 C ATOM 785 CD1 TYR A 51 -1.849 -9.819 -5.220 1.00 0.00 C ATOM 786 CD2 TYR A 51 -2.291 -12.163 -4.777 1.00 0.00 C ATOM 787 CE1 TYR A 51 -2.817 -9.829 -6.232 1.00 0.00 C ATOM 788 CE2 TYR A 51 -3.260 -12.171 -5.788 1.00 0.00 C ATOM 789 CZ TYR A 51 -3.522 -11.005 -6.516 1.00 0.00 C ATOM 790 OH TYR A 51 -4.477 -11.015 -7.513 1.00 0.00 O ATOM 0 H TYR A 51 0.890 -10.164 -1.347 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.650 -9.307 -2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.404 -10.597 -3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.353 -11.995 -3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.306 -8.912 -5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.087 -13.063 -4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.020 -8.929 -6.794 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.805 -13.077 -6.006 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.406 -11.847 -8.026 1.00 0.00 H new ATOM 800 N LEU A 52 -2.964 -10.440 -0.836 1.00 0.00 N ATOM 801 CA LEU A 52 -3.817 -11.163 0.101 1.00 0.00 C ATOM 802 C LEU A 52 -4.529 -12.313 -0.605 1.00 0.00 C ATOM 803 O LEU A 52 -4.824 -13.341 0.003 1.00 0.00 O ATOM 804 CB LEU A 52 -4.854 -10.212 0.706 1.00 0.00 C ATOM 805 CG LEU A 52 -4.568 -10.020 2.197 1.00 0.00 C ATOM 806 CD1 LEU A 52 -3.304 -9.173 2.368 1.00 0.00 C ATOM 807 CD2 LEU A 52 -5.750 -9.306 2.855 1.00 0.00 C ATOM 0 H LEU A 52 -3.324 -9.531 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.191 -11.569 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.823 -9.251 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.857 -10.616 0.567 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.422 -10.992 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.099 -9.035 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.461 -9.679 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.451 -8.201 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.547 -9.169 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.895 -8.333 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.652 -9.906 2.733 1.00 0.00 H new ATOM 819 N SER A 53 -4.800 -12.128 -1.893 1.00 0.00 N ATOM 820 CA SER A 53 -5.476 -13.154 -2.677 1.00 0.00 C ATOM 821 C SER A 53 -5.719 -12.662 -4.099 1.00 0.00 C ATOM 822 O SER A 53 -5.255 -11.588 -4.482 1.00 0.00 O ATOM 823 CB SER A 53 -6.811 -13.515 -2.025 1.00 0.00 C ATOM 824 OG SER A 53 -7.386 -12.346 -1.454 1.00 0.00 O ATOM 0 H SER A 53 -4.564 -11.283 -2.413 1.00 0.00 H new ATOM 0 HA SER A 53 -4.840 -14.038 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.487 -13.942 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.660 -14.273 -1.256 1.00 0.00 H new ATOM 0 HG SER A 53 -8.243 -12.573 -1.036 1.00 0.00 H new ATOM 830 N ASN A 54 -6.448 -13.454 -4.877 1.00 0.00 N ATOM 831 CA ASN A 54 -6.745 -13.088 -6.256 1.00 0.00 C ATOM 832 C ASN A 54 -7.993 -12.215 -6.322 1.00 0.00 C ATOM 833 O ASN A 54 -9.014 -12.618 -6.881 1.00 0.00 O ATOM 834 CB ASN A 54 -6.958 -14.348 -7.097 1.00 0.00 C ATOM 835 CG ASN A 54 -6.506 -14.099 -8.531 1.00 0.00 C ATOM 836 OD1 ASN A 54 -6.847 -13.075 -9.123 1.00 0.00 O ATOM 837 ND2 ASN A 54 -5.754 -14.981 -9.131 1.00 0.00 N ATOM 0 H ASN A 54 -6.841 -14.347 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.900 -12.525 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.398 -15.180 -6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.010 -14.631 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.448 -14.822 -10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.472 -15.829 -8.640 1.00 0.00 H new ATOM 844 N ARG A 55 -7.910 -11.021 -5.745 1.00 0.00 N ATOM 845 CA ARG A 55 -9.042 -10.108 -5.744 1.00 0.00 C ATOM 846 C ARG A 55 -8.682 -8.798 -5.048 1.00 0.00 C ATOM 847 O ARG A 55 -9.220 -7.742 -5.380 1.00 0.00 O ATOM 848 CB ARG A 55 -10.225 -10.754 -5.025 1.00 0.00 C ATOM 849 CG ARG A 55 -9.846 -11.040 -3.569 1.00 0.00 C ATOM 850 CD ARG A 55 -10.666 -10.142 -2.642 1.00 0.00 C ATOM 851 NE ARG A 55 -12.016 -10.671 -2.494 1.00 0.00 N ATOM 852 CZ ARG A 55 -13.065 -9.862 -2.375 1.00 0.00 C ATOM 853 NH1 ARG A 55 -12.896 -8.568 -2.386 1.00 0.00 N ATOM 854 NH2 ARG A 55 -14.262 -10.363 -2.247 1.00 0.00 N ATOM 0 H ARG A 55 -7.076 -10.667 -5.276 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.310 -9.893 -6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.091 -10.094 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.507 -11.680 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.030 -12.088 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.781 -10.861 -3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.184 -10.077 -1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.706 -9.130 -3.046 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.159 -11.681 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.959 -8.177 -2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.701 -7.948 -2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.393 -11.374 -2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.067 -9.743 -2.156 1.00 0.00 H new ATOM 868 N CYS A 56 -7.777 -8.874 -4.076 1.00 0.00 N ATOM 869 CA CYS A 56 -7.367 -7.683 -3.339 1.00 0.00 C ATOM 870 C CYS A 56 -5.865 -7.695 -3.065 1.00 0.00 C ATOM 871 O CYS A 56 -5.314 -8.695 -2.606 1.00 0.00 O ATOM 872 CB CYS A 56 -8.126 -7.606 -2.013 1.00 0.00 C ATOM 873 SG CYS A 56 -9.542 -6.494 -2.191 1.00 0.00 S ATOM 0 H CYS A 56 -7.318 -9.737 -3.783 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.600 -6.811 -3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.465 -8.599 -1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.465 -7.247 -1.224 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.199 -5.466 -2.908 1.00 0.00 H new ATOM 879 N CYS A 57 -5.213 -6.569 -3.342 1.00 0.00 N ATOM 880 CA CYS A 57 -3.777 -6.443 -3.116 1.00 0.00 C ATOM 881 C CYS A 57 -3.471 -5.112 -2.437 1.00 0.00 C ATOM 882 O CYS A 57 -4.365 -4.284 -2.259 1.00 0.00 O ATOM 883 CB CYS A 57 -3.024 -6.534 -4.445 1.00 0.00 C ATOM 884 SG CYS A 57 -3.449 -5.110 -5.478 1.00 0.00 S ATOM 0 H CYS A 57 -5.656 -5.733 -3.723 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.451 -7.257 -2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.949 -6.559 -4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.282 -7.460 -4.959 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.808 -5.186 -6.606 1.00 0.00 H new ATOM 890 N ILE A 58 -2.215 -4.906 -2.049 1.00 0.00 N ATOM 891 CA ILE A 58 -1.841 -3.663 -1.384 1.00 0.00 C ATOM 892 C ILE A 58 -0.482 -3.164 -1.866 1.00 0.00 C ATOM 893 O ILE A 58 0.490 -3.918 -1.916 1.00 0.00 O ATOM 894 CB ILE A 58 -1.796 -3.877 0.130 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.105 -4.524 0.590 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.620 -2.529 0.831 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.032 -4.820 2.090 1.00 0.00 C ATOM 0 H ILE A 58 -1.452 -5.570 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.591 -2.911 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.959 -4.528 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.944 -3.860 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.282 -5.446 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.588 -2.681 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.689 -2.067 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.457 -1.877 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.965 -5.281 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.203 -5.500 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.876 -3.890 2.637 1.00 0.00 H new ATOM 909 N LEU A 59 -0.425 -1.880 -2.208 1.00 0.00 N ATOM 910 CA LEU A 59 0.816 -1.273 -2.673 1.00 0.00 C ATOM 911 C LEU A 59 1.311 -0.257 -1.649 1.00 0.00 C ATOM 912 O LEU A 59 0.635 0.733 -1.367 1.00 0.00 O ATOM 913 CB LEU A 59 0.590 -0.583 -4.020 1.00 0.00 C ATOM 914 CG LEU A 59 1.901 0.040 -4.501 1.00 0.00 C ATOM 915 CD1 LEU A 59 3.006 -1.017 -4.487 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.718 0.565 -5.927 1.00 0.00 C ATOM 0 H LEU A 59 -1.221 -1.243 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 59 1.567 -2.053 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.227 -1.303 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.176 0.186 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 59 2.177 0.861 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.940 -0.572 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.135 -1.395 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.732 -1.839 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.651 1.010 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.442 -0.259 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.930 1.318 -5.939 1.00 0.00 H new ATOM 928 N TYR A 60 2.486 -0.512 -1.086 1.00 0.00 N ATOM 929 CA TYR A 60 3.049 0.383 -0.081 1.00 0.00 C ATOM 930 C TYR A 60 3.789 1.546 -0.738 1.00 0.00 C ATOM 931 O TYR A 60 4.778 1.348 -1.442 1.00 0.00 O ATOM 932 CB TYR A 60 4.010 -0.391 0.823 1.00 0.00 C ATOM 933 CG TYR A 60 4.200 0.359 2.121 1.00 0.00 C ATOM 934 CD1 TYR A 60 3.102 0.607 2.955 1.00 0.00 C ATOM 935 CD2 TYR A 60 5.474 0.807 2.490 1.00 0.00 C ATOM 936 CE1 TYR A 60 3.279 1.302 4.157 1.00 0.00 C ATOM 937 CE2 TYR A 60 5.651 1.502 3.692 1.00 0.00 C ATOM 938 CZ TYR A 60 4.554 1.749 4.525 1.00 0.00 C ATOM 939 OH TYR A 60 4.727 2.435 5.711 1.00 0.00 O ATOM 0 H TYR A 60 3.064 -1.324 -1.305 1.00 0.00 H new ATOM 0 HA TYR A 60 2.230 0.786 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.615 -1.388 1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.970 -0.522 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.119 0.262 2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.321 0.616 1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.433 1.493 4.800 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.634 1.848 3.976 1.00 0.00 H new ATOM 0 HH TYR A 60 5.678 2.631 5.840 1.00 0.00 H new ATOM 949 N VAL A 61 3.301 2.758 -0.494 1.00 0.00 N ATOM 950 CA VAL A 61 3.920 3.953 -1.057 1.00 0.00 C ATOM 951 C VAL A 61 4.463 4.841 0.059 1.00 0.00 C ATOM 952 O VAL A 61 3.840 4.979 1.112 1.00 0.00 O ATOM 953 CB VAL A 61 2.896 4.735 -1.881 1.00 0.00 C ATOM 954 CG1 VAL A 61 3.451 6.123 -2.201 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.616 3.988 -3.187 1.00 0.00 C ATOM 0 H VAL A 61 2.482 2.938 0.087 1.00 0.00 H new ATOM 0 HA VAL A 61 4.743 3.647 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 61 1.972 4.834 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.721 6.680 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.653 6.657 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.375 6.023 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.886 4.544 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.541 3.889 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.221 2.997 -2.962 1.00 0.00 H new ATOM 965 N THR A 62 5.630 5.435 -0.173 1.00 0.00 N ATOM 966 CA THR A 62 6.243 6.301 0.830 1.00 0.00 C ATOM 967 C THR A 62 6.572 7.668 0.241 1.00 0.00 C ATOM 968 O THR A 62 6.735 7.813 -0.970 1.00 0.00 O ATOM 969 CB THR A 62 7.523 5.657 1.364 1.00 0.00 C ATOM 970 OG1 THR A 62 8.594 5.925 0.469 1.00 0.00 O ATOM 971 CG2 THR A 62 7.324 4.146 1.487 1.00 0.00 C ATOM 0 H THR A 62 6.165 5.335 -1.036 1.00 0.00 H new ATOM 0 HA THR A 62 5.531 6.433 1.645 1.00 0.00 H new ATOM 0 HB THR A 62 7.756 6.070 2.345 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.416 5.515 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.237 3.689 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.502 3.942 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.090 3.729 0.507 1.00 0.00 H new ATOM 979 N GLU A 63 6.673 8.667 1.112 1.00 0.00 N ATOM 980 CA GLU A 63 6.988 10.023 0.674 1.00 0.00 C ATOM 981 C GLU A 63 8.052 10.004 -0.418 1.00 0.00 C ATOM 982 O GLU A 63 7.947 10.723 -1.412 1.00 0.00 O ATOM 983 CB GLU A 63 7.492 10.849 1.858 1.00 0.00 C ATOM 984 CG GLU A 63 8.296 12.044 1.339 1.00 0.00 C ATOM 985 CD GLU A 63 8.187 13.209 2.316 1.00 0.00 C ATOM 986 OE1 GLU A 63 7.083 13.488 2.754 1.00 0.00 O ATOM 987 OE2 GLU A 63 9.209 13.806 2.612 1.00 0.00 O ATOM 0 H GLU A 63 6.542 8.565 2.118 1.00 0.00 H new ATOM 0 HA GLU A 63 6.080 10.472 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.651 11.196 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.114 10.233 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.341 11.762 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.925 12.344 0.359 1.00 0.00 H new ATOM 994 N ALA A 64 9.079 9.180 -0.226 1.00 0.00 N ATOM 995 CA ALA A 64 10.157 9.081 -1.204 1.00 0.00 C ATOM 996 C ALA A 64 9.589 9.036 -2.617 1.00 0.00 C ATOM 997 O ALA A 64 10.222 9.496 -3.568 1.00 0.00 O ATOM 998 CB ALA A 64 10.986 7.821 -0.941 1.00 0.00 C ATOM 0 H ALA A 64 9.187 8.577 0.590 1.00 0.00 H new ATOM 0 HA ALA A 64 10.795 9.959 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.789 7.754 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.413 7.869 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.347 6.942 -1.021 1.00 0.00 H new ATOM 1004 N ASP A 65 8.387 8.484 -2.747 1.00 0.00 N ATOM 1005 CA ASP A 65 7.738 8.388 -4.047 1.00 0.00 C ATOM 1006 C ASP A 65 7.041 9.701 -4.389 1.00 0.00 C ATOM 1007 O ASP A 65 7.192 10.226 -5.493 1.00 0.00 O ATOM 1008 CB ASP A 65 6.711 7.254 -4.037 1.00 0.00 C ATOM 1009 CG ASP A 65 7.423 5.905 -4.033 1.00 0.00 C ATOM 1010 OD1 ASP A 65 8.616 5.887 -3.781 1.00 0.00 O ATOM 1011 OD2 ASP A 65 6.763 4.910 -4.282 1.00 0.00 O ATOM 0 H ASP A 65 7.846 8.099 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 65 8.499 8.181 -4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.071 7.339 -3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.064 7.330 -4.911 1.00 0.00 H new ATOM 1016 N LEU A 66 6.281 10.229 -3.434 1.00 0.00 N ATOM 1017 CA LEU A 66 5.568 11.483 -3.646 1.00 0.00 C ATOM 1018 C LEU A 66 6.519 12.551 -4.175 1.00 0.00 C ATOM 1019 O LEU A 66 6.150 13.357 -5.028 1.00 0.00 O ATOM 1020 CB LEU A 66 4.941 11.961 -2.333 1.00 0.00 C ATOM 1021 CG LEU A 66 4.482 13.412 -2.488 1.00 0.00 C ATOM 1022 CD1 LEU A 66 3.089 13.577 -1.879 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.466 14.336 -1.766 1.00 0.00 C ATOM 0 H LEU A 66 6.144 9.812 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 66 4.781 11.312 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.095 11.327 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.664 11.881 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 66 4.447 13.670 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.763 14.611 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.388 12.919 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.122 13.319 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.141 15.371 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.500 14.076 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.459 14.220 -2.200 1.00 0.00 H new ATOM 1035 N VAL A 67 7.743 12.550 -3.660 1.00 0.00 N ATOM 1036 CA VAL A 67 8.740 13.524 -4.087 1.00 0.00 C ATOM 1037 C VAL A 67 8.755 13.639 -5.608 1.00 0.00 C ATOM 1038 O VAL A 67 8.639 14.735 -6.158 1.00 0.00 O ATOM 1039 CB VAL A 67 10.124 13.107 -3.587 1.00 0.00 C ATOM 1040 CG1 VAL A 67 11.201 13.725 -4.482 1.00 0.00 C ATOM 1041 CG2 VAL A 67 10.313 13.598 -2.150 1.00 0.00 C ATOM 0 H VAL A 67 8.067 11.891 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 67 8.481 14.495 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 67 10.209 12.021 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.186 13.427 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.066 13.377 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.118 14.811 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.299 13.302 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.228 14.684 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.547 13.158 -1.511 1.00 0.00 H new ATOM 1051 N ALA A 68 8.896 12.503 -6.282 1.00 0.00 N ATOM 1052 CA ALA A 68 8.922 12.492 -7.740 1.00 0.00 C ATOM 1053 C ALA A 68 7.825 13.391 -8.300 1.00 0.00 C ATOM 1054 O ALA A 68 8.094 14.501 -8.760 1.00 0.00 O ATOM 1055 CB ALA A 68 8.727 11.064 -8.255 1.00 0.00 C ATOM 0 H ALA A 68 8.993 11.586 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 68 9.890 12.868 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.748 11.064 -9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.528 10.428 -7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.766 10.681 -7.910 1.00 0.00 H new ATOM 1061 N GLY A 69 6.588 12.904 -8.259 1.00 0.00 N ATOM 1062 CA GLY A 69 5.458 13.675 -8.765 1.00 0.00 C ATOM 1063 C GLY A 69 4.997 13.142 -10.117 1.00 0.00 C ATOM 1064 O GLY A 69 3.844 13.326 -10.506 1.00 0.00 O ATOM 0 H GLY A 69 6.344 11.987 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.634 13.631 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.741 14.723 -8.860 1.00 0.00 H new ATOM 1068 N ASN A 70 5.904 12.484 -10.831 1.00 0.00 N ATOM 1069 CA ASN A 70 5.574 11.932 -12.140 1.00 0.00 C ATOM 1070 C ASN A 70 6.431 10.706 -12.440 1.00 0.00 C ATOM 1071 O ASN A 70 7.646 10.722 -12.246 1.00 0.00 O ATOM 1072 CB ASN A 70 5.799 12.989 -13.223 1.00 0.00 C ATOM 1073 CG ASN A 70 5.037 12.608 -14.487 1.00 0.00 C ATOM 1074 OD1 ASN A 70 5.575 12.706 -15.591 1.00 0.00 O ATOM 1075 ND2 ASN A 70 3.809 12.177 -14.394 1.00 0.00 N ATOM 0 H ASN A 70 6.865 12.321 -10.529 1.00 0.00 H new ATOM 0 HA ASN A 70 4.526 11.634 -12.132 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.465 13.964 -12.867 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.863 13.077 -13.442 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.293 11.921 -15.236 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.365 12.096 -13.479 1.00 0.00 H new ATOM 1082 N GLY A 71 5.788 9.644 -12.916 1.00 0.00 N ATOM 1083 CA GLY A 71 6.501 8.414 -13.241 1.00 0.00 C ATOM 1084 C GLY A 71 5.896 7.221 -12.510 1.00 0.00 C ATOM 1085 O GLY A 71 5.522 6.226 -13.130 1.00 0.00 O ATOM 0 H GLY A 71 4.783 9.610 -13.084 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.465 8.242 -14.317 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.552 8.516 -12.970 1.00 0.00 H new ATOM 1089 N TYR A 72 5.804 7.325 -11.188 1.00 0.00 N ATOM 1090 CA TYR A 72 5.243 6.245 -10.384 1.00 0.00 C ATOM 1091 C TYR A 72 3.782 6.005 -10.752 1.00 0.00 C ATOM 1092 O TYR A 72 3.311 4.868 -10.744 1.00 0.00 O ATOM 1093 CB TYR A 72 5.347 6.587 -8.898 1.00 0.00 C ATOM 1094 CG TYR A 72 5.421 5.310 -8.094 1.00 0.00 C ATOM 1095 CD1 TYR A 72 6.620 4.589 -8.032 1.00 0.00 C ATOM 1096 CD2 TYR A 72 4.289 4.845 -7.414 1.00 0.00 C ATOM 1097 CE1 TYR A 72 6.687 3.406 -7.288 1.00 0.00 C ATOM 1098 CE2 TYR A 72 4.357 3.661 -6.671 1.00 0.00 C ATOM 1099 CZ TYR A 72 5.556 2.941 -6.607 1.00 0.00 C ATOM 1100 OH TYR A 72 5.621 1.773 -5.875 1.00 0.00 O ATOM 0 H TYR A 72 6.108 8.139 -10.654 1.00 0.00 H new ATOM 0 HA TYR A 72 5.811 5.337 -10.586 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.232 7.197 -8.715 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.484 7.176 -8.588 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.493 4.946 -8.558 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.364 5.400 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.612 2.851 -7.239 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.484 3.302 -6.146 1.00 0.00 H new ATOM 0 HH TYR A 72 4.749 1.595 -5.465 1.00 0.00 H new ATOM 1110 N ARG A 73 3.070 7.080 -11.077 1.00 0.00 N ATOM 1111 CA ARG A 73 1.664 6.963 -11.449 1.00 0.00 C ATOM 1112 C ARG A 73 1.488 5.876 -12.502 1.00 0.00 C ATOM 1113 O ARG A 73 0.538 5.095 -12.451 1.00 0.00 O ATOM 1114 CB ARG A 73 1.149 8.297 -11.994 1.00 0.00 C ATOM 1115 CG ARG A 73 -0.185 8.075 -12.711 1.00 0.00 C ATOM 1116 CD ARG A 73 0.068 7.817 -14.198 1.00 0.00 C ATOM 1117 NE ARG A 73 -0.140 9.040 -14.964 1.00 0.00 N ATOM 1118 CZ ARG A 73 0.874 9.847 -15.260 1.00 0.00 C ATOM 1119 NH1 ARG A 73 2.082 9.550 -14.865 1.00 0.00 N ATOM 1120 NH2 ARG A 73 0.662 10.935 -15.947 1.00 0.00 N ATOM 0 H ARG A 73 3.438 8.031 -11.091 1.00 0.00 H new ATOM 0 HA ARG A 73 1.091 6.696 -10.561 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.022 9.010 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.877 8.726 -12.682 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.710 7.228 -12.269 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.826 8.948 -12.587 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.086 7.457 -14.344 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.601 7.036 -14.558 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.080 9.281 -15.278 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.248 8.698 -14.329 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.860 10.170 -15.092 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.282 11.167 -16.257 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.440 11.554 -16.174 1.00 0.00 H new ATOM 1134 N LYS A 74 2.416 5.828 -13.454 1.00 0.00 N ATOM 1135 CA LYS A 74 2.360 4.827 -14.512 1.00 0.00 C ATOM 1136 C LYS A 74 2.279 3.430 -13.906 1.00 0.00 C ATOM 1137 O LYS A 74 1.604 2.548 -14.438 1.00 0.00 O ATOM 1138 CB LYS A 74 3.602 4.932 -15.398 1.00 0.00 C ATOM 1139 CG LYS A 74 3.361 4.179 -16.708 1.00 0.00 C ATOM 1140 CD LYS A 74 4.614 3.379 -17.074 1.00 0.00 C ATOM 1141 CE LYS A 74 4.626 2.066 -16.290 1.00 0.00 C ATOM 1142 NZ LYS A 74 3.358 1.323 -16.543 1.00 0.00 N ATOM 0 H LYS A 74 3.210 6.466 -13.514 1.00 0.00 H new ATOM 0 HA LYS A 74 1.472 5.006 -15.118 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.827 5.978 -15.604 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.467 4.516 -14.881 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.507 3.510 -16.604 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.120 4.882 -17.505 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.629 3.176 -18.145 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.508 3.959 -16.847 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.481 1.460 -16.589 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.735 2.268 -15.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.534 0.301 -16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.646 1.602 -15.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.008 1.547 -17.496 1.00 0.00 H new ATOM 1156 N ARG A 75 2.968 3.241 -12.785 1.00 0.00 N ATOM 1157 CA ARG A 75 2.965 1.951 -12.106 1.00 0.00 C ATOM 1158 C ARG A 75 1.592 1.679 -11.501 1.00 0.00 C ATOM 1159 O ARG A 75 1.075 0.565 -11.585 1.00 0.00 O ATOM 1160 CB ARG A 75 4.025 1.940 -11.003 1.00 0.00 C ATOM 1161 CG ARG A 75 4.181 0.521 -10.455 1.00 0.00 C ATOM 1162 CD ARG A 75 4.829 0.576 -9.071 1.00 0.00 C ATOM 1163 NE ARG A 75 4.970 -0.769 -8.524 1.00 0.00 N ATOM 1164 CZ ARG A 75 6.079 -1.475 -8.716 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.064 -0.967 -9.404 1.00 0.00 N ATOM 1166 NH2 ARG A 75 6.184 -2.676 -8.216 1.00 0.00 N ATOM 0 H ARG A 75 3.532 3.959 -12.331 1.00 0.00 H new ATOM 0 HA ARG A 75 3.194 1.172 -12.833 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.977 2.295 -11.396 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.737 2.621 -10.202 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.207 0.035 -10.393 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.793 -0.076 -11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.807 1.053 -9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.222 1.186 -8.402 1.00 0.00 H new ATOM 0 HE ARG A 75 4.205 -1.174 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.983 -0.028 -9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.916 -1.509 -9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.414 -3.073 -7.677 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.036 -3.217 -8.364 1.00 0.00 H new ATOM 1180 N LEU A 76 1.006 2.708 -10.897 1.00 0.00 N ATOM 1181 CA LEU A 76 -0.312 2.574 -10.286 1.00 0.00 C ATOM 1182 C LEU A 76 -1.349 2.207 -11.342 1.00 0.00 C ATOM 1183 O LEU A 76 -2.410 1.669 -11.026 1.00 0.00 O ATOM 1184 CB LEU A 76 -0.710 3.891 -9.614 1.00 0.00 C ATOM 1185 CG LEU A 76 0.006 4.015 -8.269 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -0.114 5.452 -7.753 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -0.635 3.059 -7.261 1.00 0.00 C ATOM 0 H LEU A 76 1.419 3.637 -10.818 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.271 1.782 -9.538 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.449 4.732 -10.256 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.790 3.925 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 76 1.059 3.762 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.397 5.538 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.342 6.135 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.166 5.707 -7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.125 3.147 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.688 3.313 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.549 2.035 -7.625 1.00 0.00 H new ATOM 1199 N VAL A 77 -1.030 2.502 -12.598 1.00 0.00 N ATOM 1200 CA VAL A 77 -1.937 2.200 -13.700 1.00 0.00 C ATOM 1201 C VAL A 77 -1.810 0.737 -14.110 1.00 0.00 C ATOM 1202 O VAL A 77 -2.803 0.079 -14.419 1.00 0.00 O ATOM 1203 CB VAL A 77 -1.616 3.097 -14.897 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -2.225 2.496 -16.164 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -2.201 4.491 -14.661 1.00 0.00 C ATOM 0 H VAL A 77 -0.156 2.947 -12.877 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.959 2.386 -13.369 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.535 3.172 -15.015 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.996 3.136 -17.016 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.808 1.503 -16.333 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.306 2.420 -16.047 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.973 5.131 -15.514 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.282 4.417 -14.542 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.766 4.920 -13.759 1.00 0.00 H new ATOM 1215 N ARG A 78 -0.580 0.235 -14.110 1.00 0.00 N ATOM 1216 CA ARG A 78 -0.328 -1.152 -14.485 1.00 0.00 C ATOM 1217 C ARG A 78 -1.054 -2.106 -13.539 1.00 0.00 C ATOM 1218 O ARG A 78 -1.293 -3.266 -13.876 1.00 0.00 O ATOM 1219 CB ARG A 78 1.175 -1.437 -14.445 1.00 0.00 C ATOM 1220 CG ARG A 78 1.468 -2.751 -15.172 1.00 0.00 C ATOM 1221 CD ARG A 78 2.144 -2.453 -16.511 1.00 0.00 C ATOM 1222 NE ARG A 78 2.159 -3.650 -17.344 1.00 0.00 N ATOM 1223 CZ ARG A 78 1.113 -3.976 -18.096 1.00 0.00 C ATOM 1224 NH1 ARG A 78 0.053 -3.214 -18.103 1.00 0.00 N ATOM 1225 NH2 ARG A 78 1.145 -5.055 -18.828 1.00 0.00 N ATOM 0 H ARG A 78 0.254 0.764 -13.856 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.702 -1.309 -15.497 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.723 -0.620 -14.915 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.517 -1.497 -13.412 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.112 -3.382 -14.560 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.542 -3.303 -15.335 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.614 -1.651 -17.024 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.163 -2.105 -16.343 1.00 0.00 H new ATOM 0 HE ARG A 78 2.986 -4.247 -17.349 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.028 -2.369 -17.532 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.750 -3.463 -18.680 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.974 -5.650 -18.824 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.341 -5.304 -19.405 1.00 0.00 H new ATOM 1239 N VAL A 79 -1.396 -1.611 -12.354 1.00 0.00 N ATOM 1240 CA VAL A 79 -2.088 -2.430 -11.364 1.00 0.00 C ATOM 1241 C VAL A 79 -3.523 -2.719 -11.799 1.00 0.00 C ATOM 1242 O VAL A 79 -3.966 -3.867 -11.784 1.00 0.00 O ATOM 1243 CB VAL A 79 -2.100 -1.715 -10.013 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -2.767 -2.610 -8.964 1.00 0.00 C ATOM 1245 CG2 VAL A 79 -0.663 -1.411 -9.585 1.00 0.00 C ATOM 0 H VAL A 79 -1.207 -0.654 -12.057 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.555 -3.376 -11.275 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.659 -0.783 -10.101 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.775 -2.099 -8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.791 -2.826 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.210 -3.543 -8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.670 -0.901 -8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.104 -2.343 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.189 -0.772 -10.330 1.00 0.00 H new ATOM 1255 N ARG A 80 -4.246 -1.671 -12.178 1.00 0.00 N ATOM 1256 CA ARG A 80 -5.633 -1.827 -12.605 1.00 0.00 C ATOM 1257 C ARG A 80 -5.710 -2.514 -13.967 1.00 0.00 C ATOM 1258 O ARG A 80 -6.537 -3.401 -14.178 1.00 0.00 O ATOM 1259 CB ARG A 80 -6.312 -0.458 -12.685 1.00 0.00 C ATOM 1260 CG ARG A 80 -7.611 -0.578 -13.483 1.00 0.00 C ATOM 1261 CD ARG A 80 -8.441 0.694 -13.304 1.00 0.00 C ATOM 1262 NE ARG A 80 -9.654 0.621 -14.111 1.00 0.00 N ATOM 1263 CZ ARG A 80 -9.607 0.733 -15.435 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -8.462 0.912 -16.035 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -10.706 0.662 -16.137 1.00 0.00 N ATOM 0 H ARG A 80 -3.899 -0.712 -12.199 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.147 -2.448 -11.871 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.522 -0.085 -11.682 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.646 0.263 -13.160 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.388 -0.734 -14.539 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.178 -1.445 -13.146 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.701 0.822 -12.253 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.853 1.565 -13.595 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.554 0.482 -13.652 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.603 0.966 -15.488 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.426 0.998 -17.051 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.601 0.521 -15.670 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.669 0.748 -17.153 1.00 0.00 H new ATOM 1279 N ASN A 81 -4.847 -2.096 -14.885 1.00 0.00 N ATOM 1280 CA ASN A 81 -4.830 -2.674 -16.226 1.00 0.00 C ATOM 1281 C ASN A 81 -4.729 -4.196 -16.162 1.00 0.00 C ATOM 1282 O ASN A 81 -5.183 -4.893 -17.070 1.00 0.00 O ATOM 1283 CB ASN A 81 -3.646 -2.118 -17.018 1.00 0.00 C ATOM 1284 CG ASN A 81 -4.088 -1.763 -18.434 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -5.205 -1.287 -18.635 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -3.273 -1.967 -19.433 1.00 0.00 N ATOM 0 H ASN A 81 -4.154 -1.364 -14.729 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.762 -2.407 -16.723 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.247 -1.234 -16.520 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.843 -2.854 -17.052 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.561 -1.732 -20.383 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.348 -2.362 -19.264 1.00 0.00 H new ATOM 1293 N SER A 82 -4.129 -4.705 -15.092 1.00 0.00 N ATOM 1294 CA SER A 82 -3.972 -6.148 -14.933 1.00 0.00 C ATOM 1295 C SER A 82 -5.279 -6.873 -15.241 1.00 0.00 C ATOM 1296 O SER A 82 -5.417 -7.500 -16.292 1.00 0.00 O ATOM 1297 CB SER A 82 -3.523 -6.471 -13.506 1.00 0.00 C ATOM 1298 OG SER A 82 -4.587 -7.104 -12.808 1.00 0.00 O ATOM 0 H SER A 82 -3.746 -4.148 -14.328 1.00 0.00 H new ATOM 0 HA SER A 82 -3.213 -6.490 -15.637 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.649 -7.122 -13.527 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.228 -5.557 -12.990 1.00 0.00 H new ATOM 0 HG SER A 82 -4.219 -7.717 -12.137 1.00 0.00 H new ATOM 1304 N ASN A 83 -6.236 -6.787 -14.322 1.00 0.00 N ATOM 1305 CA ASN A 83 -7.525 -7.445 -14.514 1.00 0.00 C ATOM 1306 C ASN A 83 -8.665 -6.559 -14.022 1.00 0.00 C ATOM 1307 O ASN A 83 -9.114 -5.661 -14.735 1.00 0.00 O ATOM 1308 CB ASN A 83 -7.548 -8.779 -13.765 1.00 0.00 C ATOM 1309 CG ASN A 83 -7.053 -9.896 -14.677 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -7.746 -10.896 -14.869 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -5.888 -9.786 -15.257 1.00 0.00 N ATOM 0 H ASN A 83 -6.146 -6.274 -13.445 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.661 -7.625 -15.580 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.919 -8.718 -12.877 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.560 -8.997 -13.425 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.551 -10.529 -15.870 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.315 -8.957 -15.097 1.00 0.00 H new ATOM 1318 N ASN A 84 -9.135 -6.816 -12.804 1.00 0.00 N ATOM 1319 CA ASN A 84 -10.228 -6.031 -12.240 1.00 0.00 C ATOM 1320 C ASN A 84 -10.345 -6.270 -10.738 1.00 0.00 C ATOM 1321 O ASN A 84 -11.447 -6.325 -10.193 1.00 0.00 O ATOM 1322 CB ASN A 84 -11.542 -6.408 -12.923 1.00 0.00 C ATOM 1323 CG ASN A 84 -12.534 -5.254 -12.823 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -12.543 -4.527 -11.829 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -13.375 -5.043 -13.798 1.00 0.00 N ATOM 0 H ASN A 84 -8.781 -7.553 -12.195 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.018 -4.975 -12.410 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.360 -6.652 -13.970 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.961 -7.299 -12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.043 -4.274 -13.738 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.365 -5.647 -14.620 1.00 0.00 H new ATOM 1332 N LEU A 85 -9.203 -6.411 -10.074 1.00 0.00 N ATOM 1333 CA LEU A 85 -9.191 -6.644 -8.634 1.00 0.00 C ATOM 1334 C LEU A 85 -9.147 -5.320 -7.876 1.00 0.00 C ATOM 1335 O LEU A 85 -8.723 -4.299 -8.416 1.00 0.00 O ATOM 1336 CB LEU A 85 -7.977 -7.494 -8.252 1.00 0.00 C ATOM 1337 CG LEU A 85 -6.699 -6.820 -8.756 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -5.678 -6.744 -7.620 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -6.114 -7.637 -9.911 1.00 0.00 C ATOM 0 H LEU A 85 -8.280 -6.369 -10.506 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.105 -7.174 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.933 -7.617 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.068 -8.491 -8.683 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.933 -5.813 -9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.768 -6.264 -7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.093 -6.164 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.444 -7.750 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.204 -7.158 -10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.881 -8.644 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.840 -7.692 -10.722 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.588 -5.347 -6.623 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.593 -4.143 -5.801 1.00 0.00 C ATOM 1353 C LYS A 86 -8.267 -3.995 -5.063 1.00 0.00 C ATOM 1354 O LYS A 86 -8.040 -4.639 -4.039 1.00 0.00 O ATOM 1355 CB LYS A 86 -10.739 -4.204 -4.788 1.00 0.00 C ATOM 1356 CG LYS A 86 -11.969 -4.834 -5.444 1.00 0.00 C ATOM 1357 CD LYS A 86 -12.482 -3.916 -6.556 1.00 0.00 C ATOM 1358 CE LYS A 86 -12.826 -2.547 -5.967 1.00 0.00 C ATOM 1359 NZ LYS A 86 -14.000 -1.976 -6.688 1.00 0.00 N ATOM 0 H LYS A 86 -9.944 -6.182 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.733 -3.281 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.439 -4.788 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.977 -3.202 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.715 -5.812 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.750 -4.993 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.725 -3.810 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.363 -4.353 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.049 -2.642 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.971 -1.877 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.234 -1.045 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.770 -1.871 -7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.815 -2.613 -6.583 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.393 -3.145 -5.593 1.00 0.00 N ATOM 1374 CA GLY A 87 -6.090 -2.922 -4.977 1.00 0.00 C ATOM 1375 C GLY A 87 -6.114 -1.698 -4.069 1.00 0.00 C ATOM 1376 O GLY A 87 -6.740 -0.688 -4.388 1.00 0.00 O ATOM 0 H GLY A 87 -7.561 -2.603 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.802 -3.801 -4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.336 -2.788 -5.753 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.425 -1.794 -2.936 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.369 -0.688 -1.988 1.00 0.00 C ATOM 1382 C ILE A 88 -4.031 0.036 -2.093 1.00 0.00 C ATOM 1383 O ILE A 88 -2.977 -0.595 -2.171 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.558 -1.211 -0.563 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -6.850 -2.028 -0.490 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -5.647 -0.033 0.408 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -6.958 -2.689 0.885 1.00 0.00 C ATOM 0 H ILE A 88 -4.900 -2.622 -2.654 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.170 0.012 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.710 -1.840 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.711 -1.383 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.857 -2.787 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.782 -0.407 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.729 0.552 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.494 0.597 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.878 -3.271 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.103 -3.347 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.970 -1.921 1.658 1.00 0.00 H new ATOM 1399 N VAL A 89 -4.078 1.365 -2.096 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.860 2.162 -2.195 1.00 0.00 C ATOM 1401 C VAL A 89 -2.558 2.851 -0.867 1.00 0.00 C ATOM 1402 O VAL A 89 -3.191 3.846 -0.516 1.00 0.00 O ATOM 1403 CB VAL A 89 -3.012 3.213 -3.298 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -1.705 3.995 -3.449 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -3.341 2.516 -4.620 1.00 0.00 C ATOM 0 H VAL A 89 -4.939 1.909 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.032 1.497 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.816 3.900 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.817 4.742 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.467 4.491 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.899 3.310 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.450 3.262 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.535 1.829 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.273 1.960 -4.516 1.00 0.00 H new ATOM 1415 N VAL A 90 -1.584 2.317 -0.138 1.00 0.00 N ATOM 1416 CA VAL A 90 -1.201 2.892 1.146 1.00 0.00 C ATOM 1417 C VAL A 90 -0.043 3.867 0.966 1.00 0.00 C ATOM 1418 O VAL A 90 0.858 3.633 0.162 1.00 0.00 O ATOM 1419 CB VAL A 90 -0.791 1.782 2.115 1.00 0.00 C ATOM 1420 CG1 VAL A 90 -0.244 2.406 3.401 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -2.011 0.920 2.446 1.00 0.00 C ATOM 0 H VAL A 90 -1.049 1.493 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.057 3.430 1.554 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.021 1.162 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.049 1.616 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.624 3.022 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.014 3.025 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.721 0.128 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.780 1.540 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.403 0.477 1.530 1.00 0.00 H new ATOM 1431 N VAL A 91 -0.074 4.963 1.718 1.00 0.00 N ATOM 1432 CA VAL A 91 0.981 5.966 1.627 1.00 0.00 C ATOM 1433 C VAL A 91 1.632 6.187 2.987 1.00 0.00 C ATOM 1434 O VAL A 91 0.989 6.044 4.025 1.00 0.00 O ATOM 1435 CB VAL A 91 0.403 7.285 1.112 1.00 0.00 C ATOM 1436 CG1 VAL A 91 1.494 8.357 1.122 1.00 0.00 C ATOM 1437 CG2 VAL A 91 -0.108 7.095 -0.318 1.00 0.00 C ATOM 0 H VAL A 91 -0.810 5.178 2.391 1.00 0.00 H new ATOM 0 HA VAL A 91 1.739 5.606 0.932 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.421 7.596 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.083 9.298 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.861 8.493 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.317 8.045 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.520 8.035 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.716 6.784 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.884 6.330 -0.328 1.00 0.00 H new ATOM 1447 N GLU A 92 2.914 6.538 2.970 1.00 0.00 N ATOM 1448 CA GLU A 92 3.647 6.777 4.208 1.00 0.00 C ATOM 1449 C GLU A 92 3.914 8.265 4.395 1.00 0.00 C ATOM 1450 O GLU A 92 4.754 8.846 3.707 1.00 0.00 O ATOM 1451 CB GLU A 92 4.974 6.018 4.184 1.00 0.00 C ATOM 1452 CG GLU A 92 5.321 5.554 5.600 1.00 0.00 C ATOM 1453 CD GLU A 92 6.699 4.902 5.612 1.00 0.00 C ATOM 1454 OE1 GLU A 92 7.676 5.627 5.699 1.00 0.00 O ATOM 1455 OE2 GLU A 92 6.757 3.686 5.537 1.00 0.00 O ATOM 0 H GLU A 92 3.463 6.662 2.120 1.00 0.00 H new ATOM 0 HA GLU A 92 3.040 6.422 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.902 5.160 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.765 6.659 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.305 6.403 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.571 4.846 5.953 1.00 0.00 H new ATOM 1462 N LYS A 93 3.197 8.876 5.332 1.00 0.00 N ATOM 1463 CA LYS A 93 3.369 10.297 5.603 1.00 0.00 C ATOM 1464 C LYS A 93 4.738 10.553 6.223 1.00 0.00 C ATOM 1465 O LYS A 93 5.150 9.856 7.151 1.00 0.00 O ATOM 1466 CB LYS A 93 2.276 10.789 6.553 1.00 0.00 C ATOM 1467 CG LYS A 93 0.911 10.292 6.072 1.00 0.00 C ATOM 1468 CD LYS A 93 0.372 11.239 4.999 1.00 0.00 C ATOM 1469 CE LYS A 93 -0.446 12.349 5.661 1.00 0.00 C ATOM 1470 NZ LYS A 93 -1.786 11.819 6.044 1.00 0.00 N ATOM 0 H LYS A 93 2.497 8.413 5.912 1.00 0.00 H new ATOM 0 HA LYS A 93 3.296 10.841 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.470 10.428 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.282 11.878 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.001 9.283 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.215 10.241 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.197 11.670 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.248 10.689 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.075 12.722 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.558 13.190 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.444 12.611 6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.146 11.204 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.704 11.271 6.924 1.00 0.00 H new ATOM 1484 N THR A 94 5.440 11.554 5.704 1.00 0.00 N ATOM 1485 CA THR A 94 6.763 11.890 6.215 1.00 0.00 C ATOM 1486 C THR A 94 6.928 13.399 6.337 1.00 0.00 C ATOM 1487 O THR A 94 6.809 13.960 7.426 1.00 0.00 O ATOM 1488 CB THR A 94 7.840 11.329 5.284 1.00 0.00 C ATOM 1489 OG1 THR A 94 7.513 9.991 4.936 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.195 11.359 5.992 1.00 0.00 C ATOM 0 H THR A 94 5.118 12.143 4.936 1.00 0.00 H new ATOM 0 HA THR A 94 6.871 11.447 7.205 1.00 0.00 H new ATOM 0 HB THR A 94 7.892 11.936 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.317 9.529 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.961 10.959 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.444 12.386 6.257 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.146 10.753 6.897 1.00 0.00 H new ATOM 1498 N ARG A 95 7.202 14.051 5.213 1.00 0.00 N ATOM 1499 CA ARG A 95 7.381 15.498 5.207 1.00 0.00 C ATOM 1500 C ARG A 95 6.757 16.110 3.958 1.00 0.00 C ATOM 1501 O ARG A 95 5.737 16.796 4.035 1.00 0.00 O ATOM 1502 CB ARG A 95 8.872 15.840 5.258 1.00 0.00 C ATOM 1503 CG ARG A 95 9.420 15.529 6.652 1.00 0.00 C ATOM 1504 CD ARG A 95 10.908 15.880 6.709 1.00 0.00 C ATOM 1505 NE ARG A 95 11.102 17.144 7.410 1.00 0.00 N ATOM 1506 CZ ARG A 95 11.177 17.190 8.736 1.00 0.00 C ATOM 1507 NH1 ARG A 95 11.074 16.092 9.434 1.00 0.00 N ATOM 1508 NH2 ARG A 95 11.355 18.333 9.341 1.00 0.00 N ATOM 0 H ARG A 95 7.304 13.605 4.301 1.00 0.00 H new ATOM 0 HA ARG A 95 6.885 15.911 6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.414 15.266 4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.022 16.894 5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.873 16.098 7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.276 14.474 6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.457 15.087 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.311 15.951 5.699 1.00 0.00 H new ATOM 0 HE ARG A 95 11.181 18.008 6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.936 15.199 8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.132 16.127 10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.437 19.191 8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.412 18.368 10.359 1.00 0.00 H new ATOM 1522 N MET A 96 7.373 15.858 2.807 1.00 0.00 N ATOM 1523 CA MET A 96 6.864 16.389 1.549 1.00 0.00 C ATOM 1524 C MET A 96 5.486 15.811 1.244 1.00 0.00 C ATOM 1525 O MET A 96 4.796 16.269 0.334 1.00 0.00 O ATOM 1526 CB MET A 96 7.825 16.045 0.409 1.00 0.00 C ATOM 1527 CG MET A 96 9.242 16.486 0.784 1.00 0.00 C ATOM 1528 SD MET A 96 10.242 16.641 -0.718 1.00 0.00 S ATOM 1529 CE MET A 96 11.529 17.708 -0.026 1.00 0.00 C ATOM 0 H MET A 96 8.218 15.294 2.720 1.00 0.00 H new ATOM 0 HA MET A 96 6.781 17.472 1.640 1.00 0.00 H new ATOM 0 HB2 MET A 96 7.806 14.973 0.215 1.00 0.00 H new ATOM 0 HB3 MET A 96 7.509 16.541 -0.509 1.00 0.00 H new ATOM 0 HG2 MET A 96 9.210 17.439 1.313 1.00 0.00 H new ATOM 0 HG3 MET A 96 9.693 15.761 1.461 1.00 0.00 H new ATOM 0 HE1 MET A 96 12.267 17.934 -0.796 1.00 0.00 H new ATOM 0 HE2 MET A 96 11.080 18.635 0.330 1.00 0.00 H new ATOM 0 HE3 MET A 96 12.016 17.198 0.805 1.00 0.00 H new ATOM 1539 N SER A 97 5.096 14.798 2.011 1.00 0.00 N ATOM 1540 CA SER A 97 3.801 14.157 1.816 1.00 0.00 C ATOM 1541 C SER A 97 2.666 15.150 2.045 1.00 0.00 C ATOM 1542 O SER A 97 2.195 15.795 1.109 1.00 0.00 O ATOM 1543 CB SER A 97 3.651 12.979 2.779 1.00 0.00 C ATOM 1544 OG SER A 97 3.728 13.454 4.117 1.00 0.00 O ATOM 0 H SER A 97 5.654 14.405 2.769 1.00 0.00 H new ATOM 0 HA SER A 97 3.749 13.797 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.697 12.478 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 97 4.434 12.243 2.596 1.00 0.00 H new ATOM 0 HG SER A 97 3.058 12.995 4.666 1.00 0.00 H new ATOM 1550 N GLU A 98 2.229 15.264 3.294 1.00 0.00 N ATOM 1551 CA GLU A 98 1.144 16.177 3.637 1.00 0.00 C ATOM 1552 C GLU A 98 1.218 17.452 2.803 1.00 0.00 C ATOM 1553 O GLU A 98 0.219 18.147 2.625 1.00 0.00 O ATOM 1554 CB GLU A 98 1.218 16.536 5.122 1.00 0.00 C ATOM 1555 CG GLU A 98 2.649 16.941 5.480 1.00 0.00 C ATOM 1556 CD GLU A 98 3.144 16.117 6.664 1.00 0.00 C ATOM 1557 OE1 GLU A 98 2.915 16.535 7.788 1.00 0.00 O ATOM 1558 OE2 GLU A 98 3.742 15.080 6.430 1.00 0.00 O ATOM 0 H GLU A 98 2.607 14.739 4.083 1.00 0.00 H new ATOM 0 HA GLU A 98 0.199 15.677 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.532 17.353 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.907 15.685 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.304 16.790 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.685 18.003 5.725 1.00 0.00 H new ATOM 1565 N GLN A 99 2.409 17.755 2.297 1.00 0.00 N ATOM 1566 CA GLN A 99 2.600 18.954 1.488 1.00 0.00 C ATOM 1567 C GLN A 99 1.985 18.780 0.103 1.00 0.00 C ATOM 1568 O GLN A 99 1.165 19.589 -0.329 1.00 0.00 O ATOM 1569 CB GLN A 99 4.093 19.257 1.352 1.00 0.00 C ATOM 1570 CG GLN A 99 4.650 19.679 2.713 1.00 0.00 C ATOM 1571 CD GLN A 99 5.514 20.926 2.559 1.00 0.00 C ATOM 1572 OE1 GLN A 99 5.070 21.923 1.989 1.00 0.00 O ATOM 1573 NE2 GLN A 99 6.728 20.930 3.038 1.00 0.00 N ATOM 0 H GLN A 99 3.250 17.193 2.431 1.00 0.00 H new ATOM 0 HA GLN A 99 2.102 19.785 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.622 18.377 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.250 20.050 0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.831 19.877 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.240 18.868 3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.093 20.102 3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.312 21.761 2.941 1.00 0.00 H new ATOM 1582 N TYR A 100 2.390 17.721 -0.590 1.00 0.00 N ATOM 1583 CA TYR A 100 1.874 17.452 -1.929 1.00 0.00 C ATOM 1584 C TYR A 100 1.121 16.126 -1.958 1.00 0.00 C ATOM 1585 O TYR A 100 0.810 15.601 -3.027 1.00 0.00 O ATOM 1586 CB TYR A 100 3.030 17.409 -2.934 1.00 0.00 C ATOM 1587 CG TYR A 100 2.920 18.578 -3.885 1.00 0.00 C ATOM 1588 CD1 TYR A 100 2.913 19.887 -3.388 1.00 0.00 C ATOM 1589 CD2 TYR A 100 2.826 18.351 -5.263 1.00 0.00 C ATOM 1590 CE1 TYR A 100 2.810 20.969 -4.270 1.00 0.00 C ATOM 1591 CE2 TYR A 100 2.723 19.433 -6.145 1.00 0.00 C ATOM 1592 CZ TYR A 100 2.716 20.743 -5.649 1.00 0.00 C ATOM 1593 OH TYR A 100 2.616 21.809 -6.518 1.00 0.00 O ATOM 0 H TYR A 100 3.069 17.039 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 100 1.185 18.252 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.984 17.444 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.007 16.472 -3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.987 20.062 -2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.833 17.341 -5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.803 21.979 -3.887 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.649 19.258 -7.208 1.00 0.00 H new ATOM 0 HH TYR A 100 2.560 21.477 -7.438 1.00 0.00 H new ATOM 1603 N PHE A 101 0.832 15.588 -0.777 1.00 0.00 N ATOM 1604 CA PHE A 101 0.117 14.322 -0.684 1.00 0.00 C ATOM 1605 C PHE A 101 -1.285 14.449 -1.283 1.00 0.00 C ATOM 1606 O PHE A 101 -1.796 13.505 -1.886 1.00 0.00 O ATOM 1607 CB PHE A 101 0.027 13.872 0.780 1.00 0.00 C ATOM 1608 CG PHE A 101 -1.210 13.028 0.981 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -1.321 11.785 0.345 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -2.244 13.489 1.802 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -2.469 11.005 0.532 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -3.392 12.709 1.989 1.00 0.00 C ATOM 1613 CZ PHE A 101 -3.503 11.467 1.353 1.00 0.00 C ATOM 0 H PHE A 101 1.080 16.005 0.120 1.00 0.00 H new ATOM 0 HA PHE A 101 0.668 13.572 -1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.916 13.301 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.005 14.742 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.522 11.429 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.157 14.447 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.556 10.046 0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.190 13.065 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.388 10.865 1.496 1.00 0.00 H new ATOM 1623 N PRO A 102 -1.911 15.589 -1.133 1.00 0.00 N ATOM 1624 CA PRO A 102 -3.280 15.832 -1.675 1.00 0.00 C ATOM 1625 C PRO A 102 -3.294 15.833 -3.200 1.00 0.00 C ATOM 1626 O PRO A 102 -4.109 15.154 -3.824 1.00 0.00 O ATOM 1627 CB PRO A 102 -3.669 17.213 -1.125 1.00 0.00 C ATOM 1628 CG PRO A 102 -2.661 17.535 -0.069 1.00 0.00 C ATOM 1629 CD PRO A 102 -1.394 16.771 -0.435 1.00 0.00 C ATOM 0 HA PRO A 102 -3.977 15.048 -1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.660 17.964 -1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.677 17.198 -0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.470 18.607 -0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.022 17.239 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.737 17.361 -1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.818 16.498 0.449 1.00 0.00 H new ATOM 1637 N ALA A 103 -2.384 16.599 -3.793 1.00 0.00 N ATOM 1638 CA ALA A 103 -2.299 16.679 -5.246 1.00 0.00 C ATOM 1639 C ALA A 103 -2.337 15.283 -5.859 1.00 0.00 C ATOM 1640 O ALA A 103 -3.104 15.022 -6.786 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.003 17.383 -5.657 1.00 0.00 C ATOM 0 H ALA A 103 -1.700 17.169 -3.294 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.153 17.250 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.948 17.438 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.989 18.390 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.148 16.822 -5.279 1.00 0.00 H new ATOM 1647 N LEU A 104 -1.507 14.389 -5.332 1.00 0.00 N ATOM 1648 CA LEU A 104 -1.455 13.021 -5.830 1.00 0.00 C ATOM 1649 C LEU A 104 -2.773 12.305 -5.557 1.00 0.00 C ATOM 1650 O LEU A 104 -3.371 11.717 -6.460 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.311 12.263 -5.153 1.00 0.00 C ATOM 1652 CG LEU A 104 0.149 11.116 -6.054 1.00 0.00 C ATOM 1653 CD1 LEU A 104 1.241 11.617 -7.001 1.00 0.00 C ATOM 1654 CD2 LEU A 104 0.706 9.983 -5.189 1.00 0.00 C ATOM 0 H LEU A 104 -0.865 14.586 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.285 13.050 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.520 12.940 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.640 11.873 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.696 10.749 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.569 10.800 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.846 12.426 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.087 11.983 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.034 9.164 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.552 10.351 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.071 9.626 -4.513 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.223 12.361 -4.308 1.00 0.00 N ATOM 1667 CA GLN A 105 -4.473 11.715 -3.924 1.00 0.00 C ATOM 1668 C GLN A 105 -5.594 12.100 -4.884 1.00 0.00 C ATOM 1669 O GLN A 105 -6.489 11.300 -5.161 1.00 0.00 O ATOM 1670 CB GLN A 105 -4.857 12.129 -2.501 1.00 0.00 C ATOM 1671 CG GLN A 105 -5.940 11.188 -1.970 1.00 0.00 C ATOM 1672 CD GLN A 105 -6.746 11.885 -0.879 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -6.869 11.366 0.231 1.00 0.00 O ATOM 1674 NE2 GLN A 105 -7.305 13.037 -1.129 1.00 0.00 N ATOM 0 H GLN A 105 -2.744 12.844 -3.548 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.329 10.635 -3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.982 12.096 -1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.219 13.157 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.599 10.884 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.483 10.281 -1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.202 13.465 -2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.845 13.510 -0.404 1.00 0.00 H new ATOM 1683 N LYS A 106 -5.539 13.328 -5.387 1.00 0.00 N ATOM 1684 CA LYS A 106 -6.557 13.811 -6.313 1.00 0.00 C ATOM 1685 C LYS A 106 -6.417 13.126 -7.668 1.00 0.00 C ATOM 1686 O LYS A 106 -7.380 12.566 -8.194 1.00 0.00 O ATOM 1687 CB LYS A 106 -6.426 15.325 -6.490 1.00 0.00 C ATOM 1688 CG LYS A 106 -7.775 15.909 -6.913 1.00 0.00 C ATOM 1689 CD LYS A 106 -8.615 16.208 -5.670 1.00 0.00 C ATOM 1690 CE LYS A 106 -10.045 15.708 -5.888 1.00 0.00 C ATOM 1691 NZ LYS A 106 -10.569 16.249 -7.173 1.00 0.00 N ATOM 0 H LYS A 106 -4.806 14.003 -5.171 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.538 13.577 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.096 15.783 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.669 15.550 -7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.623 16.821 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.301 15.206 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.178 15.723 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.620 17.280 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.062 14.618 -5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.682 16.023 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.593 16.413 -7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.091 17.146 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.389 15.566 -7.936 1.00 0.00 H new ATOM 1705 N PHE A 107 -5.215 13.177 -8.230 1.00 0.00 N ATOM 1706 CA PHE A 107 -4.960 12.558 -9.527 1.00 0.00 C ATOM 1707 C PHE A 107 -5.215 11.056 -9.466 1.00 0.00 C ATOM 1708 O PHE A 107 -5.956 10.508 -10.284 1.00 0.00 O ATOM 1709 CB PHE A 107 -3.513 12.816 -9.951 1.00 0.00 C ATOM 1710 CG PHE A 107 -3.484 13.343 -11.367 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -3.577 14.718 -11.605 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -3.366 12.452 -12.443 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -3.553 15.206 -12.916 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -3.341 12.940 -13.755 1.00 0.00 C ATOM 1715 CZ PHE A 107 -3.435 14.317 -13.992 1.00 0.00 C ATOM 0 H PHE A 107 -4.406 13.637 -7.812 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.638 12.998 -10.258 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.049 13.534 -9.276 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.934 11.895 -9.884 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.667 15.404 -10.776 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.294 11.390 -12.260 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.625 16.268 -13.098 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.249 12.254 -14.584 1.00 0.00 H new ATOM 0 HZ PHE A 107 -3.417 14.693 -15.004 1.00 0.00 H new ATOM 1725 N THR A 108 -4.598 10.394 -8.493 1.00 0.00 N ATOM 1726 CA THR A 108 -4.767 8.954 -8.335 1.00 0.00 C ATOM 1727 C THR A 108 -6.238 8.606 -8.124 1.00 0.00 C ATOM 1728 O THR A 108 -6.690 7.524 -8.499 1.00 0.00 O ATOM 1729 CB THR A 108 -3.948 8.459 -7.140 1.00 0.00 C ATOM 1730 OG1 THR A 108 -3.723 9.538 -6.244 1.00 0.00 O ATOM 1731 CG2 THR A 108 -2.606 7.911 -7.629 1.00 0.00 C ATOM 0 H THR A 108 -3.981 10.828 -7.806 1.00 0.00 H new ATOM 0 HA THR A 108 -4.416 8.465 -9.244 1.00 0.00 H new ATOM 0 HB THR A 108 -4.495 7.668 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.074 10.159 -6.636 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.024 7.559 -6.777 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.780 7.083 -8.316 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.056 8.700 -8.143 1.00 0.00 H new ATOM 1739 N VAL A 109 -6.979 9.528 -7.519 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.397 9.305 -7.259 1.00 0.00 C ATOM 1741 C VAL A 109 -9.195 9.344 -8.560 1.00 0.00 C ATOM 1742 O VAL A 109 -10.100 8.535 -8.768 1.00 0.00 O ATOM 1743 CB VAL A 109 -8.924 10.372 -6.293 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -10.414 10.614 -6.546 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -8.724 9.895 -4.852 1.00 0.00 C ATOM 0 H VAL A 109 -6.625 10.430 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.516 8.320 -6.808 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.378 11.302 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -10.782 11.373 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.558 10.955 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -10.965 9.686 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.098 10.652 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.269 8.964 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.663 9.729 -4.668 1.00 0.00 H new ATOM 1755 N LEU A 110 -8.858 10.286 -9.429 1.00 0.00 N ATOM 1756 CA LEU A 110 -9.555 10.416 -10.703 1.00 0.00 C ATOM 1757 C LEU A 110 -9.011 9.416 -11.718 1.00 0.00 C ATOM 1758 O LEU A 110 -9.747 8.913 -12.566 1.00 0.00 O ATOM 1759 CB LEU A 110 -9.390 11.837 -11.245 1.00 0.00 C ATOM 1760 CG LEU A 110 -10.430 12.092 -12.337 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -11.825 12.132 -11.714 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -10.137 13.432 -13.016 1.00 0.00 C ATOM 0 H LEU A 110 -8.113 10.967 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.613 10.209 -10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.509 12.561 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.386 11.970 -11.647 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.385 11.292 -13.075 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -12.566 12.314 -12.492 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -12.034 11.179 -11.229 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -11.871 12.932 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.878 13.615 -13.795 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.182 14.232 -12.277 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.142 13.405 -13.461 1.00 0.00 H new ATOM 1774 N ASP A 111 -7.714 9.139 -11.630 1.00 0.00 N ATOM 1775 CA ASP A 111 -7.077 8.204 -12.550 1.00 0.00 C ATOM 1776 C ASP A 111 -7.235 6.760 -12.078 1.00 0.00 C ATOM 1777 O ASP A 111 -7.583 5.878 -12.864 1.00 0.00 O ATOM 1778 CB ASP A 111 -5.590 8.536 -12.680 1.00 0.00 C ATOM 1779 CG ASP A 111 -5.138 8.347 -14.124 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -5.510 9.164 -14.951 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -4.428 7.390 -14.382 1.00 0.00 O ATOM 0 H ASP A 111 -7.087 9.546 -10.936 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.567 8.303 -13.519 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.410 9.564 -12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.006 7.894 -12.021 1.00 0.00 H new ATOM 1786 N LEU A 112 -6.964 6.519 -10.799 1.00 0.00 N ATOM 1787 CA LEU A 112 -7.067 5.169 -10.251 1.00 0.00 C ATOM 1788 C LEU A 112 -8.354 4.996 -9.449 1.00 0.00 C ATOM 1789 O LEU A 112 -8.886 3.890 -9.349 1.00 0.00 O ATOM 1790 CB LEU A 112 -5.863 4.882 -9.350 1.00 0.00 C ATOM 1791 CG LEU A 112 -4.840 4.023 -10.102 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -5.484 2.696 -10.512 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -4.364 4.767 -11.353 1.00 0.00 C ATOM 0 H LEU A 112 -6.675 7.231 -10.128 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.082 4.466 -11.084 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.403 5.818 -9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.189 4.367 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.988 3.826 -9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.755 2.087 -11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.818 2.163 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.338 2.891 -11.160 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.637 4.154 -11.886 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.216 4.967 -12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.900 5.709 -11.061 1.00 0.00 H new ATOM 1805 N GLY A 113 -8.850 6.088 -8.878 1.00 0.00 N ATOM 1806 CA GLY A 113 -10.074 6.029 -8.087 1.00 0.00 C ATOM 1807 C GLY A 113 -10.169 4.707 -7.335 1.00 0.00 C ATOM 1808 O GLY A 113 -11.249 4.131 -7.203 1.00 0.00 O ATOM 0 H GLY A 113 -8.429 7.015 -8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.095 6.858 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.940 6.145 -8.739 1.00 0.00 H new ATOM 1812 N MET A 114 -9.030 4.233 -6.842 1.00 0.00 N ATOM 1813 CA MET A 114 -8.989 2.978 -6.101 1.00 0.00 C ATOM 1814 C MET A 114 -9.222 3.232 -4.614 1.00 0.00 C ATOM 1815 O MET A 114 -9.823 4.237 -4.234 1.00 0.00 O ATOM 1816 CB MET A 114 -7.632 2.296 -6.304 1.00 0.00 C ATOM 1817 CG MET A 114 -7.841 0.886 -6.863 1.00 0.00 C ATOM 1818 SD MET A 114 -8.329 0.992 -8.602 1.00 0.00 S ATOM 1819 CE MET A 114 -8.913 -0.713 -8.776 1.00 0.00 C ATOM 0 H MET A 114 -8.127 4.696 -6.941 1.00 0.00 H new ATOM 0 HA MET A 114 -9.779 2.326 -6.475 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.019 2.882 -6.989 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.094 2.246 -5.357 1.00 0.00 H new ATOM 0 HG2 MET A 114 -6.924 0.305 -6.767 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.609 0.366 -6.290 1.00 0.00 H new ATOM 0 HE1 MET A 114 -9.268 -0.874 -9.794 1.00 0.00 H new ATOM 0 HE2 MET A 114 -8.095 -1.401 -8.564 1.00 0.00 H new ATOM 0 HE3 MET A 114 -9.728 -0.892 -8.075 1.00 0.00 H new ATOM 1829 N VAL A 115 -8.743 2.317 -3.777 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.908 2.458 -2.335 1.00 0.00 C ATOM 1831 C VAL A 115 -7.622 2.966 -1.692 1.00 0.00 C ATOM 1832 O VAL A 115 -6.592 2.292 -1.723 1.00 0.00 O ATOM 1833 CB VAL A 115 -9.289 1.110 -1.720 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -10.096 1.341 -0.442 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -10.134 0.316 -2.720 1.00 0.00 C ATOM 0 H VAL A 115 -8.242 1.478 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.702 3.181 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.384 0.551 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.367 0.380 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -9.496 1.908 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -11.001 1.900 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.407 -0.645 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -11.038 0.876 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.559 0.151 -3.631 1.00 0.00 H new ATOM 1845 N LEU A 116 -7.688 4.159 -1.107 1.00 0.00 N ATOM 1846 CA LEU A 116 -6.522 4.748 -0.457 1.00 0.00 C ATOM 1847 C LEU A 116 -6.650 4.652 1.060 1.00 0.00 C ATOM 1848 O LEU A 116 -7.724 4.882 1.617 1.00 0.00 O ATOM 1849 CB LEU A 116 -6.380 6.217 -0.865 1.00 0.00 C ATOM 1850 CG LEU A 116 -5.564 6.322 -2.156 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -6.430 5.908 -3.346 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -5.101 7.768 -2.347 1.00 0.00 C ATOM 0 H LEU A 116 -8.530 4.733 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.637 4.196 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.365 6.660 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.892 6.779 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 116 -4.698 5.664 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.847 5.984 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.764 4.879 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.297 6.566 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.520 7.846 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.970 8.423 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.483 8.067 -1.500 1.00 0.00 H new ATOM 1864 N LEU A 117 -5.549 4.312 1.723 1.00 0.00 N ATOM 1865 CA LEU A 117 -5.552 4.190 3.177 1.00 0.00 C ATOM 1866 C LEU A 117 -4.199 4.590 3.755 1.00 0.00 C ATOM 1867 O LEU A 117 -3.337 3.742 3.990 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.867 2.747 3.586 1.00 0.00 C ATOM 1869 CG LEU A 117 -7.380 2.505 3.546 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -7.816 2.173 2.114 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -7.727 1.333 4.467 1.00 0.00 C ATOM 0 H LEU A 117 -4.650 4.117 1.281 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.319 4.858 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.362 2.052 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.487 2.554 4.589 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.899 3.404 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.892 2.002 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.567 3.005 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -7.299 1.275 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.802 1.157 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.205 0.438 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.421 1.569 5.486 1.00 0.00 H new ATOM 1883 N PRO A 118 -4.004 5.858 3.990 1.00 0.00 N ATOM 1884 CA PRO A 118 -2.730 6.387 4.560 1.00 0.00 C ATOM 1885 C PRO A 118 -2.454 5.821 5.950 1.00 0.00 C ATOM 1886 O PRO A 118 -3.340 5.247 6.583 1.00 0.00 O ATOM 1887 CB PRO A 118 -2.946 7.905 4.623 1.00 0.00 C ATOM 1888 CG PRO A 118 -4.124 8.192 3.750 1.00 0.00 C ATOM 1889 CD PRO A 118 -4.975 6.927 3.736 1.00 0.00 C ATOM 0 HA PRO A 118 -1.867 6.107 3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.131 8.230 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.063 8.439 4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -4.694 9.038 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.804 8.455 2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -5.750 6.956 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.479 6.793 2.779 1.00 0.00 H new ATOM 1897 N VAL A 119 -1.222 5.987 6.421 1.00 0.00 N ATOM 1898 CA VAL A 119 -0.848 5.488 7.740 1.00 0.00 C ATOM 1899 C VAL A 119 -0.098 6.561 8.525 1.00 0.00 C ATOM 1900 O VAL A 119 -0.657 7.608 8.850 1.00 0.00 O ATOM 1901 CB VAL A 119 0.030 4.243 7.600 1.00 0.00 C ATOM 1902 CG1 VAL A 119 -0.831 3.055 7.168 1.00 0.00 C ATOM 1903 CG2 VAL A 119 1.110 4.498 6.546 1.00 0.00 C ATOM 0 H VAL A 119 -0.472 6.458 5.915 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.758 5.228 8.281 1.00 0.00 H new ATOM 0 HB VAL A 119 0.500 4.021 8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.204 2.169 7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.601 2.873 7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.302 3.276 6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.736 3.612 6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 119 0.639 4.720 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.725 5.344 6.853 1.00 0.00 H new ATOM 1913 N ALA A 120 1.168 6.292 8.826 1.00 0.00 N ATOM 1914 CA ALA A 120 1.984 7.241 9.574 1.00 0.00 C ATOM 1915 C ALA A 120 3.398 6.698 9.753 1.00 0.00 C ATOM 1916 O ALA A 120 4.379 7.423 9.590 1.00 0.00 O ATOM 1917 CB ALA A 120 1.358 7.505 10.944 1.00 0.00 C ATOM 0 H ALA A 120 1.649 5.431 8.566 1.00 0.00 H new ATOM 0 HA ALA A 120 2.031 8.175 9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 120 1.975 8.215 11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 120 0.358 7.918 10.813 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.295 6.570 11.501 1.00 0.00 H new ATOM 1923 N SER A 121 3.493 5.415 10.086 1.00 0.00 N ATOM 1924 CA SER A 121 4.790 4.779 10.282 1.00 0.00 C ATOM 1925 C SER A 121 4.843 3.441 9.551 1.00 0.00 C ATOM 1926 O SER A 121 3.834 2.971 9.026 1.00 0.00 O ATOM 1927 CB SER A 121 5.046 4.561 11.774 1.00 0.00 C ATOM 1928 OG SER A 121 3.945 5.068 12.518 1.00 0.00 O ATOM 0 H SER A 121 2.692 4.799 10.225 1.00 0.00 H new ATOM 0 HA SER A 121 5.561 5.433 9.876 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.181 3.499 11.980 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.965 5.064 12.074 1.00 0.00 H new ATOM 0 HG SER A 121 3.549 4.346 13.049 1.00 0.00 H new ATOM 1934 N GLN A 122 6.023 2.833 9.521 1.00 0.00 N ATOM 1935 CA GLN A 122 6.192 1.550 8.848 1.00 0.00 C ATOM 1936 C GLN A 122 5.564 0.426 9.667 1.00 0.00 C ATOM 1937 O GLN A 122 5.327 -0.669 9.157 1.00 0.00 O ATOM 1938 CB GLN A 122 7.680 1.262 8.635 1.00 0.00 C ATOM 1939 CG GLN A 122 8.194 2.091 7.457 1.00 0.00 C ATOM 1940 CD GLN A 122 9.660 1.765 7.190 1.00 0.00 C ATOM 1941 OE1 GLN A 122 10.485 2.672 7.062 1.00 0.00 O ATOM 1942 NE2 GLN A 122 10.036 0.520 7.096 1.00 0.00 N ATOM 0 H GLN A 122 6.871 3.203 9.951 1.00 0.00 H new ATOM 0 HA GLN A 122 5.691 1.601 7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.241 1.505 9.537 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.832 0.200 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.599 1.883 6.568 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.083 3.154 7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.352 -0.229 7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 122 11.014 0.295 6.916 1.00 0.00 H new ATOM 1951 N MET A 123 5.299 0.702 10.940 1.00 0.00 N ATOM 1952 CA MET A 123 4.699 -0.296 11.819 1.00 0.00 C ATOM 1953 C MET A 123 3.178 -0.282 11.692 1.00 0.00 C ATOM 1954 O MET A 123 2.541 -1.334 11.653 1.00 0.00 O ATOM 1955 CB MET A 123 5.092 -0.019 13.272 1.00 0.00 C ATOM 1956 CG MET A 123 6.616 -0.032 13.402 1.00 0.00 C ATOM 1957 SD MET A 123 7.103 0.897 14.877 1.00 0.00 S ATOM 1958 CE MET A 123 6.638 -0.355 16.098 1.00 0.00 C ATOM 0 H MET A 123 5.488 1.601 11.383 1.00 0.00 H new ATOM 0 HA MET A 123 5.068 -1.278 11.523 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.698 0.947 13.588 1.00 0.00 H new ATOM 0 HB3 MET A 123 4.654 -0.772 13.928 1.00 0.00 H new ATOM 0 HG2 MET A 123 6.977 -1.058 13.470 1.00 0.00 H new ATOM 0 HG3 MET A 123 7.071 0.408 12.515 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.859 0.043 16.748 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.266 -1.242 15.586 1.00 0.00 H new ATOM 0 HE3 MET A 123 7.509 -0.621 16.697 1.00 0.00 H new ATOM 1968 N GLU A 124 2.603 0.915 11.629 1.00 0.00 N ATOM 1969 CA GLU A 124 1.156 1.049 11.508 1.00 0.00 C ATOM 1970 C GLU A 124 0.620 0.110 10.432 1.00 0.00 C ATOM 1971 O GLU A 124 -0.282 -0.686 10.685 1.00 0.00 O ATOM 1972 CB GLU A 124 0.790 2.493 11.157 1.00 0.00 C ATOM 1973 CG GLU A 124 0.791 3.345 12.429 1.00 0.00 C ATOM 1974 CD GLU A 124 1.867 2.849 13.388 1.00 0.00 C ATOM 1975 OE1 GLU A 124 3.031 3.103 13.125 1.00 0.00 O ATOM 1976 OE2 GLU A 124 1.512 2.220 14.371 1.00 0.00 O ATOM 0 H GLU A 124 3.112 1.799 11.659 1.00 0.00 H new ATOM 0 HA GLU A 124 0.705 0.784 12.464 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.503 2.895 10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -0.192 2.526 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 124 0.971 4.390 12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.186 3.297 12.910 1.00 0.00 H new ATOM 1983 N ALA A 125 1.186 0.210 9.234 1.00 0.00 N ATOM 1984 CA ALA A 125 0.770 -0.632 8.119 1.00 0.00 C ATOM 1985 C ALA A 125 0.981 -2.101 8.461 1.00 0.00 C ATOM 1986 O ALA A 125 0.040 -2.891 8.446 1.00 0.00 O ATOM 1987 CB ALA A 125 1.572 -0.276 6.866 1.00 0.00 C ATOM 0 H ALA A 125 1.934 0.866 9.011 1.00 0.00 H new ATOM 0 HA ALA A 125 -0.289 -0.460 7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.254 -0.910 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.400 0.769 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.634 -0.433 7.057 1.00 0.00 H new ATOM 1993 N SER A 126 2.219 -2.458 8.780 1.00 0.00 N ATOM 1994 CA SER A 126 2.526 -3.836 9.138 1.00 0.00 C ATOM 1995 C SER A 126 1.607 -4.287 10.263 1.00 0.00 C ATOM 1996 O SER A 126 1.222 -5.454 10.339 1.00 0.00 O ATOM 1997 CB SER A 126 3.982 -3.950 9.588 1.00 0.00 C ATOM 1998 OG SER A 126 4.821 -3.307 8.638 1.00 0.00 O ATOM 0 H SER A 126 3.016 -1.822 8.798 1.00 0.00 H new ATOM 0 HA SER A 126 2.374 -4.472 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.108 -3.493 10.569 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.263 -4.999 9.687 1.00 0.00 H new ATOM 0 HG SER A 126 5.040 -2.405 8.953 1.00 0.00 H new ATOM 2004 N CYS A 127 1.259 -3.345 11.132 1.00 0.00 N ATOM 2005 CA CYS A 127 0.381 -3.636 12.256 1.00 0.00 C ATOM 2006 C CYS A 127 -1.082 -3.533 11.837 1.00 0.00 C ATOM 2007 O CYS A 127 -1.943 -4.212 12.397 1.00 0.00 O ATOM 2008 CB CYS A 127 0.657 -2.657 13.397 1.00 0.00 C ATOM 2009 SG CYS A 127 0.020 -3.339 14.947 1.00 0.00 S ATOM 0 H CYS A 127 1.571 -2.375 11.079 1.00 0.00 H new ATOM 0 HA CYS A 127 0.578 -4.654 12.593 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.728 -2.473 13.481 1.00 0.00 H new ATOM 0 HB3 CYS A 127 0.185 -1.697 13.189 1.00 0.00 H new ATOM 0 HG CYS A 127 0.257 -2.507 15.917 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.364 -2.679 10.854 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.739 -2.509 10.390 1.00 0.00 C ATOM 2017 C LEU A 128 -3.125 -3.632 9.430 1.00 0.00 C ATOM 2018 O LEU A 128 -4.263 -4.099 9.432 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.897 -1.143 9.702 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.948 -1.213 8.585 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -5.291 -1.686 9.151 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -4.123 0.180 7.974 1.00 0.00 C ATOM 0 H LEU A 128 -0.673 -2.104 10.372 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.405 -2.551 11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -3.190 -0.393 10.436 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -1.940 -0.827 9.287 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.614 -1.918 7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -6.028 -1.731 8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -5.172 -2.676 9.591 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.630 -0.987 9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -4.868 0.138 7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.453 0.877 8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.172 0.519 7.562 1.00 0.00 H new ATOM 2034 N VAL A 129 -2.170 -4.060 8.613 1.00 0.00 N ATOM 2035 CA VAL A 129 -2.422 -5.128 7.653 1.00 0.00 C ATOM 2036 C VAL A 129 -2.751 -6.434 8.370 1.00 0.00 C ATOM 2037 O VAL A 129 -3.640 -7.175 7.953 1.00 0.00 O ATOM 2038 CB VAL A 129 -1.196 -5.323 6.760 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -1.380 -6.578 5.904 1.00 0.00 C ATOM 2040 CG2 VAL A 129 -1.031 -4.105 5.849 1.00 0.00 C ATOM 0 H VAL A 129 -1.221 -3.687 8.595 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.277 -4.845 7.039 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.308 -5.436 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.506 -6.716 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.498 -7.446 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.268 -6.467 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.157 -4.243 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.919 -3.993 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -0.899 -3.211 6.458 1.00 0.00 H new ATOM 2050 N ILE A 130 -2.029 -6.707 9.451 1.00 0.00 N ATOM 2051 CA ILE A 130 -2.256 -7.926 10.218 1.00 0.00 C ATOM 2052 C ILE A 130 -3.660 -7.923 10.816 1.00 0.00 C ATOM 2053 O ILE A 130 -4.415 -8.881 10.654 1.00 0.00 O ATOM 2054 CB ILE A 130 -1.217 -8.042 11.334 1.00 0.00 C ATOM 2055 CG1 ILE A 130 0.054 -8.691 10.778 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -1.773 -8.905 12.468 1.00 0.00 C ATOM 2057 CD1 ILE A 130 1.109 -8.781 11.882 1.00 0.00 C ATOM 0 H ILE A 130 -1.288 -6.107 9.814 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.161 -8.782 9.549 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.985 -7.048 11.717 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.171 -9.686 10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.437 -8.106 9.942 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.030 -8.986 13.262 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -2.679 -8.446 12.864 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -2.007 -9.899 12.087 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.013 -9.243 11.485 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.342 -7.780 12.245 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.724 -9.384 12.704 1.00 0.00 H new ATOM 2069 N GLN A 131 -4.003 -6.840 11.504 1.00 0.00 N ATOM 2070 CA GLN A 131 -5.320 -6.726 12.117 1.00 0.00 C ATOM 2071 C GLN A 131 -6.395 -7.224 11.158 1.00 0.00 C ATOM 2072 O GLN A 131 -7.323 -7.927 11.558 1.00 0.00 O ATOM 2073 CB GLN A 131 -5.600 -5.269 12.489 1.00 0.00 C ATOM 2074 CG GLN A 131 -6.608 -5.219 13.639 1.00 0.00 C ATOM 2075 CD GLN A 131 -5.872 -5.196 14.974 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -6.331 -5.795 15.947 1.00 0.00 O ATOM 2077 NE2 GLN A 131 -4.753 -4.535 15.080 1.00 0.00 N ATOM 0 H GLN A 131 -3.393 -6.035 11.650 1.00 0.00 H new ATOM 0 HA GLN A 131 -5.337 -7.338 13.019 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -4.674 -4.773 12.781 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -5.991 -4.731 11.625 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.236 -4.333 13.545 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.269 -6.085 13.593 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -4.375 -4.040 14.273 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -4.256 -4.513 15.970 1.00 0.00 H new ATOM 2086 N LEU A 132 -6.260 -6.854 9.888 1.00 0.00 N ATOM 2087 CA LEU A 132 -7.222 -7.268 8.873 1.00 0.00 C ATOM 2088 C LEU A 132 -7.248 -8.789 8.749 1.00 0.00 C ATOM 2089 O LEU A 132 -8.294 -9.417 8.911 1.00 0.00 O ATOM 2090 CB LEU A 132 -6.851 -6.653 7.523 1.00 0.00 C ATOM 2091 CG LEU A 132 -7.675 -5.384 7.294 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -6.906 -4.437 6.370 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -9.010 -5.754 6.645 1.00 0.00 C ATOM 0 H LEU A 132 -5.499 -6.272 9.539 1.00 0.00 H new ATOM 0 HA LEU A 132 -8.211 -6.921 9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -5.787 -6.417 7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -7.037 -7.369 6.722 1.00 0.00 H new ATOM 0 HG LEU A 132 -7.858 -4.892 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.492 -3.533 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -5.954 -4.174 6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -6.724 -4.929 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.598 -4.851 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -8.826 -6.245 5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -9.559 -6.430 7.301 1.00 0.00 H new ATOM 2105 N VAL A 133 -6.089 -9.373 8.460 1.00 0.00 N ATOM 2106 CA VAL A 133 -5.988 -10.820 8.315 1.00 0.00 C ATOM 2107 C VAL A 133 -6.648 -11.526 9.496 1.00 0.00 C ATOM 2108 O VAL A 133 -7.542 -12.353 9.316 1.00 0.00 O ATOM 2109 CB VAL A 133 -4.519 -11.236 8.229 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -4.428 -12.746 7.994 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -3.848 -10.500 7.067 1.00 0.00 C ATOM 0 H VAL A 133 -5.212 -8.870 8.323 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.503 -11.109 7.399 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.015 -10.982 9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.381 -13.042 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.906 -13.272 8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -4.932 -13.000 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.801 -10.796 7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -4.353 -10.755 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.912 -9.424 7.232 1.00 0.00 H new ATOM 2121 N GLN A 134 -6.201 -11.194 10.703 1.00 0.00 N ATOM 2122 CA GLN A 134 -6.756 -11.805 11.905 1.00 0.00 C ATOM 2123 C GLN A 134 -8.276 -11.890 11.809 1.00 0.00 C ATOM 2124 O GLN A 134 -8.892 -12.801 12.363 1.00 0.00 O ATOM 2125 CB GLN A 134 -6.364 -10.986 13.137 1.00 0.00 C ATOM 2126 CG GLN A 134 -5.988 -11.932 14.279 1.00 0.00 C ATOM 2127 CD GLN A 134 -4.636 -12.577 13.999 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -4.574 -13.693 13.484 1.00 0.00 O ATOM 2129 NE2 GLN A 134 -3.542 -11.936 14.308 1.00 0.00 N ATOM 0 H GLN A 134 -5.463 -10.511 10.874 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.352 -12.813 11.997 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.524 -10.332 12.900 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -7.192 -10.345 13.439 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.950 -11.383 15.220 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -6.751 -12.702 14.390 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -3.596 -11.011 14.735 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -2.633 -12.360 14.123 1.00 0.00 H new ATOM 2138 N GLU A 135 -8.873 -10.937 11.102 1.00 0.00 N ATOM 2139 CA GLU A 135 -10.321 -10.918 10.939 1.00 0.00 C ATOM 2140 C GLU A 135 -10.773 -12.085 10.069 1.00 0.00 C ATOM 2141 O GLU A 135 -11.657 -12.851 10.453 1.00 0.00 O ATOM 2142 CB GLU A 135 -10.760 -9.601 10.298 1.00 0.00 C ATOM 2143 CG GLU A 135 -12.002 -9.072 11.017 1.00 0.00 C ATOM 2144 CD GLU A 135 -11.601 -8.408 12.331 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -11.326 -7.220 12.312 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -11.573 -9.099 13.337 1.00 0.00 O ATOM 0 H GLU A 135 -8.382 -10.174 10.636 1.00 0.00 H new ATOM 0 HA GLU A 135 -10.780 -11.011 11.923 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -9.954 -8.870 10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -10.976 -9.753 9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -12.522 -8.355 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -12.696 -9.890 11.210 1.00 0.00 H new ATOM 2153 N GLN A 136 -10.159 -12.215 8.897 1.00 0.00 N ATOM 2154 CA GLN A 136 -10.506 -13.297 7.982 1.00 0.00 C ATOM 2155 C GLN A 136 -10.272 -14.649 8.644 1.00 0.00 C ATOM 2156 O GLN A 136 -10.977 -15.620 8.366 1.00 0.00 O ATOM 2157 CB GLN A 136 -9.662 -13.196 6.709 1.00 0.00 C ATOM 2158 CG GLN A 136 -10.285 -12.171 5.760 1.00 0.00 C ATOM 2159 CD GLN A 136 -9.195 -11.490 4.939 1.00 0.00 C ATOM 2160 OE1 GLN A 136 -8.258 -10.923 5.500 1.00 0.00 O ATOM 2161 NE2 GLN A 136 -9.262 -11.512 3.635 1.00 0.00 N ATOM 0 H GLN A 136 -9.426 -11.591 8.561 1.00 0.00 H new ATOM 0 HA GLN A 136 -11.561 -13.208 7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -8.642 -12.902 6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -9.603 -14.169 6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -10.997 -12.663 5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -10.841 -11.427 6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -10.040 -11.983 3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -8.537 -11.059 3.079 1.00 0.00 H new ATOM 2170 N THR A 137 -9.276 -14.706 9.523 1.00 0.00 N ATOM 2171 CA THR A 137 -8.956 -15.944 10.224 1.00 0.00 C ATOM 2172 C THR A 137 -9.812 -16.085 11.478 1.00 0.00 C ATOM 2173 O THR A 137 -9.933 -17.172 12.042 1.00 0.00 O ATOM 2174 CB THR A 137 -7.476 -15.957 10.613 1.00 0.00 C ATOM 2175 OG1 THR A 137 -6.678 -15.920 9.437 1.00 0.00 O ATOM 2176 CG2 THR A 137 -7.165 -17.227 11.405 1.00 0.00 C ATOM 0 H THR A 137 -8.680 -13.914 9.765 1.00 0.00 H new ATOM 0 HA THR A 137 -9.164 -16.781 9.557 1.00 0.00 H new ATOM 0 HB THR A 137 -7.255 -15.086 11.229 1.00 0.00 H new ATOM 0 HG1 THR A 137 -5.730 -15.927 9.685 1.00 0.00 H new ATOM 0 HG21 THR A 137 -6.111 -17.235 11.681 1.00 0.00 H new ATOM 0 HG22 THR A 137 -7.777 -17.252 12.307 1.00 0.00 H new ATOM 0 HG23 THR A 137 -7.386 -18.101 10.792 1.00 0.00 H new ATOM 2184 N LYS A 138 -10.406 -14.976 11.908 1.00 0.00 N ATOM 2185 CA LYS A 138 -11.249 -14.984 13.098 1.00 0.00 C ATOM 2186 C LYS A 138 -12.481 -15.856 12.878 1.00 0.00 C ATOM 2187 O LYS A 138 -13.401 -15.476 12.153 1.00 0.00 O ATOM 2188 CB LYS A 138 -11.684 -13.556 13.436 1.00 0.00 C ATOM 2189 CG LYS A 138 -12.499 -13.563 14.732 1.00 0.00 C ATOM 2190 CD LYS A 138 -13.961 -13.233 14.420 1.00 0.00 C ATOM 2191 CE LYS A 138 -14.132 -11.716 14.326 1.00 0.00 C ATOM 2192 NZ LYS A 138 -15.282 -11.399 13.431 1.00 0.00 N ATOM 0 H LYS A 138 -10.320 -14.067 11.454 1.00 0.00 H new ATOM 0 HA LYS A 138 -10.673 -15.395 13.927 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -10.809 -12.915 13.547 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -12.280 -13.144 12.622 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -12.430 -14.539 15.212 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -12.093 -12.834 15.433 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -14.259 -13.702 13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -14.610 -13.635 15.198 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -14.303 -11.297 15.317 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -13.220 -11.260 13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -15.398 -10.367 13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -15.101 -11.786 12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -16.150 -11.822 13.818 1.00 0.00 H new ATOM 2206 N GLU A 139 -12.492 -17.024 13.509 1.00 0.00 N ATOM 2207 CA GLU A 139 -13.617 -17.943 13.376 1.00 0.00 C ATOM 2208 C GLU A 139 -14.449 -17.959 14.654 1.00 0.00 C ATOM 2209 O GLU A 139 -15.624 -18.326 14.636 1.00 0.00 O ATOM 2210 CB GLU A 139 -13.107 -19.353 13.078 1.00 0.00 C ATOM 2211 CG GLU A 139 -14.296 -20.303 12.924 1.00 0.00 C ATOM 2212 CD GLU A 139 -14.469 -21.133 14.191 1.00 0.00 C ATOM 2213 OE1 GLU A 139 -13.463 -21.511 14.770 1.00 0.00 O ATOM 2214 OE2 GLU A 139 -15.604 -21.379 14.565 1.00 0.00 O ATOM 0 H GLU A 139 -11.741 -17.356 14.114 1.00 0.00 H new ATOM 0 HA GLU A 139 -14.245 -17.603 12.552 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -12.510 -19.350 12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -12.457 -19.694 13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -15.204 -19.733 12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -14.139 -20.959 12.068 1.00 0.00 H new TER 2221 GLU A 139