USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 757 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 Single : A 8 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.186 K(o=-0.19,f=-3!) USER MOD Single : A 13 SER OG : rot 48:sc= 0.533 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.24! C(o=-6.2!,f=-12!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.26) USER MOD Single : A 22 TYR OH : rot -148:sc= -1.21 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.04) USER MOD Single : A 30 ASN : amide:sc= -0.0051 X(o=-0.0051,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0032 USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= -0.0625 (180deg=-0.455) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -84:sc= 0.352! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 41:sc= 0.717 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.558 K(o=-0.56,f=-4.1!) USER MOD Single : A 82 CYS SG : rot -130:sc= -2.57 USER MOD Single : A 84 GLN : amide:sc= -0.367 K(o=-0.37,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.85) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 140:sc= 0 USER MOD Single : A 95 SER OG : rot -67:sc= 1.12 USER MOD Single : A 104 HIS : no HD1:sc= -0.841 K(o=-0.84,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.226 -0.644 -2.344 1.00 0.00 C ATOM 4 O LEU A 7 -0.002 -0.625 -2.278 1.00 0.00 O ATOM 5 CB LEU A 7 3.437 -0.665 -1.051 1.00 0.00 C ATOM 6 CG LEU A 7 4.239 -0.207 0.169 1.00 0.00 C ATOM 7 CD1 LEU A 7 5.713 -0.594 0.033 1.00 0.00 C ATOM 8 CD2 LEU A 7 4.061 1.294 0.410 1.00 0.00 C ATOM 0 HA LEU A 7 2.284 1.021 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.287 -1.742 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.037 -0.486 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 7 3.850 -0.723 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.260 -0.257 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.798 -1.677 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.132 -0.124 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.641 1.594 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.408 1.846 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.007 1.512 0.583 1.00 0.00 H new ATOM 20 N SER A 8 1.916 -1.200 -3.330 1.00 0.00 N ATOM 21 CA SER A 8 1.242 -1.849 -4.442 1.00 0.00 C ATOM 22 C SER A 8 0.025 -2.625 -3.935 1.00 0.00 C ATOM 23 O SER A 8 -0.019 -3.027 -2.773 1.00 0.00 O ATOM 24 CB SER A 8 2.193 -2.783 -5.193 1.00 0.00 C ATOM 25 OG SER A 8 3.425 -2.962 -4.498 1.00 0.00 O ATOM 0 H SER A 8 2.935 -1.214 -3.382 1.00 0.00 H new ATOM 0 HA SER A 8 0.909 -1.078 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.713 -3.751 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.392 -2.377 -6.185 1.00 0.00 H new ATOM 0 HG SER A 8 4.004 -3.566 -5.009 1.00 0.00 H new ATOM 31 N LEU A 9 -0.932 -2.814 -4.831 1.00 0.00 N ATOM 32 CA LEU A 9 -2.146 -3.535 -4.489 1.00 0.00 C ATOM 33 C LEU A 9 -1.789 -4.744 -3.623 1.00 0.00 C ATOM 34 O LEU A 9 -2.525 -5.091 -2.700 1.00 0.00 O ATOM 35 CB LEU A 9 -2.930 -3.895 -5.753 1.00 0.00 C ATOM 36 CG LEU A 9 -3.199 -2.744 -6.726 1.00 0.00 C ATOM 37 CD1 LEU A 9 -4.314 -3.107 -7.708 1.00 0.00 C ATOM 38 CD2 LEU A 9 -3.500 -1.448 -5.971 1.00 0.00 C ATOM 0 H LEU A 9 -0.891 -2.480 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.810 -2.904 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.385 -4.675 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.887 -4.323 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.296 -2.573 -7.312 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.486 -2.273 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.022 -3.988 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.230 -3.320 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.687 -0.646 -6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.380 -1.588 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.647 -1.185 -5.346 1.00 0.00 H new ATOM 50 N THR A 10 -0.658 -5.353 -3.950 1.00 0.00 N ATOM 51 CA THR A 10 -0.194 -6.516 -3.212 1.00 0.00 C ATOM 52 C THR A 10 -0.145 -6.212 -1.714 1.00 0.00 C ATOM 53 O THR A 10 -0.693 -6.961 -0.906 1.00 0.00 O ATOM 54 CB THR A 10 1.158 -6.935 -3.792 1.00 0.00 C ATOM 55 OG1 THR A 10 0.832 -7.505 -5.057 1.00 0.00 O ATOM 56 CG2 THR A 10 1.796 -8.089 -3.016 1.00 0.00 C ATOM 0 H THR A 10 -0.050 -5.063 -4.716 1.00 0.00 H new ATOM 0 HA THR A 10 -0.883 -7.354 -3.319 1.00 0.00 H new ATOM 0 HB THR A 10 1.834 -6.080 -3.791 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.652 -7.802 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.753 -8.347 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.954 -7.788 -1.981 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.136 -8.956 -3.045 1.00 0.00 H new ATOM 64 N GLN A 11 0.517 -5.112 -1.387 1.00 0.00 N ATOM 65 CA GLN A 11 0.646 -4.700 0.001 1.00 0.00 C ATOM 66 C GLN A 11 -0.664 -4.082 0.494 1.00 0.00 C ATOM 67 O GLN A 11 -1.014 -4.213 1.666 1.00 0.00 O ATOM 68 CB GLN A 11 1.813 -3.728 0.178 1.00 0.00 C ATOM 69 CG GLN A 11 2.977 -4.396 0.913 1.00 0.00 C ATOM 70 CD GLN A 11 3.164 -3.792 2.307 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.634 -2.678 2.471 1.00 0.00 O ATOM 72 NE2 GLN A 11 2.772 -4.587 3.298 1.00 0.00 N ATOM 0 H GLN A 11 0.970 -4.493 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 11 0.858 -5.583 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.149 -3.376 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.480 -2.853 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.791 -5.467 0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.893 -4.277 0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.387 -5.508 3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.856 -4.275 4.266 1.00 0.00 H new ATOM 81 N LEU A 12 -1.352 -3.420 -0.425 1.00 0.00 N ATOM 82 CA LEU A 12 -2.615 -2.781 -0.099 1.00 0.00 C ATOM 83 C LEU A 12 -3.500 -3.769 0.663 1.00 0.00 C ATOM 84 O LEU A 12 -4.147 -3.402 1.642 1.00 0.00 O ATOM 85 CB LEU A 12 -3.270 -2.213 -1.359 1.00 0.00 C ATOM 86 CG LEU A 12 -4.050 -0.909 -1.181 1.00 0.00 C ATOM 87 CD1 LEU A 12 -5.035 -1.014 -0.015 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.100 0.281 -1.024 1.00 0.00 C ATOM 0 H LEU A 12 -1.058 -3.313 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.451 -1.927 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.493 -2.049 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.947 -2.966 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.637 -0.736 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.576 -0.074 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.742 -1.821 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.489 -1.223 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.680 1.195 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.468 0.129 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.474 0.367 -1.912 1.00 0.00 H new ATOM 100 N SER A 13 -3.501 -5.004 0.183 1.00 0.00 N ATOM 101 CA SER A 13 -4.296 -6.049 0.806 1.00 0.00 C ATOM 102 C SER A 13 -3.926 -7.411 0.216 1.00 0.00 C ATOM 103 O SER A 13 -4.783 -8.114 -0.317 1.00 0.00 O ATOM 104 CB SER A 13 -5.792 -5.782 0.629 1.00 0.00 C ATOM 105 OG SER A 13 -6.368 -5.179 1.784 1.00 0.00 O ATOM 0 H SER A 13 -2.964 -5.305 -0.630 1.00 0.00 H new ATOM 0 HA SER A 13 -4.079 -6.053 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.945 -5.133 -0.233 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.305 -6.720 0.416 1.00 0.00 H new ATOM 0 HG SER A 13 -5.810 -4.427 2.073 1.00 0.00 H new ATOM 111 N SER A 14 -2.649 -7.743 0.331 1.00 0.00 N ATOM 112 CA SER A 14 -2.155 -9.008 -0.184 1.00 0.00 C ATOM 113 C SER A 14 -2.512 -9.145 -1.666 1.00 0.00 C ATOM 114 O SER A 14 -2.501 -10.247 -2.212 1.00 0.00 O ATOM 115 CB SER A 14 -2.724 -10.186 0.609 1.00 0.00 C ATOM 116 OG SER A 14 -1.697 -10.970 1.210 1.00 0.00 O ATOM 0 H SER A 14 -1.941 -7.157 0.774 1.00 0.00 H new ATOM 0 HA SER A 14 -1.071 -9.021 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.395 -9.812 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.320 -10.815 -0.053 1.00 0.00 H new ATOM 0 HG SER A 14 -2.101 -11.711 1.709 1.00 0.00 H new ATOM 122 N GLY A 15 -2.821 -8.009 -2.274 1.00 0.00 N ATOM 123 CA GLY A 15 -3.180 -7.988 -3.682 1.00 0.00 C ATOM 124 C GLY A 15 -4.601 -8.517 -3.893 1.00 0.00 C ATOM 125 O GLY A 15 -4.872 -9.200 -4.879 1.00 0.00 O ATOM 0 H GLY A 15 -2.830 -7.097 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.106 -6.970 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.474 -8.594 -4.250 1.00 0.00 H new ATOM 129 N ASN A 16 -5.469 -8.181 -2.950 1.00 0.00 N ATOM 130 CA ASN A 16 -6.854 -8.614 -3.020 1.00 0.00 C ATOM 131 C ASN A 16 -7.506 -8.022 -4.271 1.00 0.00 C ATOM 132 O ASN A 16 -7.591 -6.803 -4.413 1.00 0.00 O ATOM 133 CB ASN A 16 -7.644 -8.131 -1.802 1.00 0.00 C ATOM 134 CG ASN A 16 -8.764 -9.113 -1.450 1.00 0.00 C ATOM 135 OD1 ASN A 16 -9.433 -9.664 -2.308 1.00 0.00 O ATOM 136 ND2 ASN A 16 -8.929 -9.300 -0.144 1.00 0.00 N ATOM 0 H ASN A 16 -5.240 -7.614 -2.134 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.866 -9.704 -3.049 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.973 -8.018 -0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.068 -7.148 -2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.651 -9.937 0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.334 -8.806 0.521 1.00 0.00 H new ATOM 143 N PRO A 17 -7.962 -8.936 -5.169 1.00 0.00 N ATOM 144 CA PRO A 17 -8.603 -8.517 -6.404 1.00 0.00 C ATOM 145 C PRO A 17 -10.025 -8.016 -6.140 1.00 0.00 C ATOM 146 O PRO A 17 -10.584 -7.271 -6.943 1.00 0.00 O ATOM 147 CB PRO A 17 -8.562 -9.741 -7.304 1.00 0.00 C ATOM 148 CG PRO A 17 -8.322 -10.927 -6.384 1.00 0.00 C ATOM 149 CD PRO A 17 -7.878 -10.387 -5.034 1.00 0.00 C ATOM 0 HA PRO A 17 -8.097 -7.675 -6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.498 -9.855 -7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.767 -9.654 -8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.232 -11.518 -6.278 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.560 -11.586 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.522 -10.748 -4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.863 -10.704 -4.795 1.00 0.00 H new ATOM 157 N VAL A 18 -10.570 -8.446 -5.011 1.00 0.00 N ATOM 158 CA VAL A 18 -11.915 -8.051 -4.632 1.00 0.00 C ATOM 159 C VAL A 18 -12.106 -6.562 -4.924 1.00 0.00 C ATOM 160 O VAL A 18 -13.115 -6.164 -5.506 1.00 0.00 O ATOM 161 CB VAL A 18 -12.173 -8.411 -3.167 1.00 0.00 C ATOM 162 CG1 VAL A 18 -11.226 -7.645 -2.240 1.00 0.00 C ATOM 163 CG2 VAL A 18 -13.634 -8.158 -2.789 1.00 0.00 C ATOM 0 H VAL A 18 -10.104 -9.064 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.653 -8.595 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.975 -9.476 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.430 -7.919 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.194 -7.897 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.379 -6.573 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.790 -8.422 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.871 -7.104 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.283 -8.767 -3.418 1.00 0.00 H new ATOM 173 N TYR A 19 -11.123 -5.778 -4.507 1.00 0.00 N ATOM 174 CA TYR A 19 -11.170 -4.341 -4.717 1.00 0.00 C ATOM 175 C TYR A 19 -11.118 -4.003 -6.208 1.00 0.00 C ATOM 176 O TYR A 19 -11.776 -3.067 -6.659 1.00 0.00 O ATOM 177 CB TYR A 19 -9.924 -3.774 -4.034 1.00 0.00 C ATOM 178 CG TYR A 19 -10.060 -3.624 -2.517 1.00 0.00 C ATOM 179 CD1 TYR A 19 -11.241 -3.163 -1.972 1.00 0.00 C ATOM 180 CD2 TYR A 19 -9.001 -3.949 -1.694 1.00 0.00 C ATOM 181 CE1 TYR A 19 -11.369 -3.021 -0.545 1.00 0.00 C ATOM 182 CE2 TYR A 19 -9.129 -3.807 -0.266 1.00 0.00 C ATOM 183 CZ TYR A 19 -10.307 -3.350 0.237 1.00 0.00 C ATOM 184 OH TYR A 19 -10.428 -3.216 1.585 1.00 0.00 O ATOM 0 H TYR A 19 -10.288 -6.111 -4.024 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.093 -3.924 -4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.076 -4.424 -4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.697 -2.800 -4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.070 -2.909 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.077 -4.310 -2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.288 -2.661 -0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.308 -4.058 0.390 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.592 -3.489 2.017 1.00 0.00 H new ATOM 194 N GLU A 20 -10.330 -4.784 -6.932 1.00 0.00 N ATOM 195 CA GLU A 20 -10.183 -4.579 -8.363 1.00 0.00 C ATOM 196 C GLU A 20 -11.546 -4.660 -9.053 1.00 0.00 C ATOM 197 O GLU A 20 -11.796 -3.951 -10.027 1.00 0.00 O ATOM 198 CB GLU A 20 -9.204 -5.589 -8.964 1.00 0.00 C ATOM 199 CG GLU A 20 -7.989 -4.881 -9.569 1.00 0.00 C ATOM 200 CD GLU A 20 -8.079 -4.848 -11.096 1.00 0.00 C ATOM 201 OE1 GLU A 20 -9.015 -4.253 -11.650 1.00 0.00 O ATOM 202 OE2 GLU A 20 -7.130 -5.468 -11.712 1.00 0.00 O ATOM 0 H GLU A 20 -9.786 -5.560 -6.554 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.772 -3.583 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.877 -6.287 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.707 -6.176 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.926 -3.864 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.076 -5.394 -9.266 1.00 0.00 H new ATOM 210 N LYS A 21 -12.392 -5.529 -8.521 1.00 0.00 N ATOM 211 CA LYS A 21 -13.724 -5.712 -9.074 1.00 0.00 C ATOM 212 C LYS A 21 -14.462 -4.372 -9.068 1.00 0.00 C ATOM 213 O LYS A 21 -15.010 -3.957 -10.088 1.00 0.00 O ATOM 214 CB LYS A 21 -14.465 -6.825 -8.330 1.00 0.00 C ATOM 215 CG LYS A 21 -13.846 -8.192 -8.631 1.00 0.00 C ATOM 216 CD LYS A 21 -14.798 -9.053 -9.464 1.00 0.00 C ATOM 217 CE LYS A 21 -15.817 -9.764 -8.571 1.00 0.00 C ATOM 218 NZ LYS A 21 -17.124 -9.072 -8.624 1.00 0.00 N ATOM 0 H LYS A 21 -12.182 -6.115 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.664 -6.039 -10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.432 -6.635 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.515 -6.825 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.906 -8.060 -9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.611 -8.703 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.318 -8.428 -10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.227 -9.790 -10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.933 -10.799 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.454 -9.790 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.866 -9.704 -8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.085 -8.212 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.340 -8.814 -9.608 1.00 0.00 H new ATOM 229 N TYR A 22 -14.452 -3.731 -7.908 1.00 0.00 N ATOM 230 CA TYR A 22 -15.113 -2.447 -7.757 1.00 0.00 C ATOM 231 C TYR A 22 -14.387 -1.359 -8.550 1.00 0.00 C ATOM 232 O TYR A 22 -15.019 -0.564 -9.244 1.00 0.00 O ATOM 233 CB TYR A 22 -15.040 -2.108 -6.266 1.00 0.00 C ATOM 234 CG TYR A 22 -15.763 -3.111 -5.365 1.00 0.00 C ATOM 235 CD1 TYR A 22 -17.092 -3.407 -5.587 1.00 0.00 C ATOM 236 CD2 TYR A 22 -15.085 -3.720 -4.328 1.00 0.00 C ATOM 237 CE1 TYR A 22 -17.772 -4.351 -4.739 1.00 0.00 C ATOM 238 CE2 TYR A 22 -15.765 -4.664 -3.479 1.00 0.00 C ATOM 239 CZ TYR A 22 -17.075 -4.933 -3.727 1.00 0.00 C ATOM 240 OH TYR A 22 -17.717 -5.824 -2.925 1.00 0.00 O ATOM 0 H TYR A 22 -13.996 -4.078 -7.064 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.138 -2.498 -8.125 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.993 -2.055 -5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -15.468 -1.118 -6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -17.623 -2.930 -6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -14.045 -3.489 -4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -18.812 -4.591 -4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -15.247 -5.147 -2.664 1.00 0.00 H new ATOM 0 HH TYR A 22 -17.340 -5.781 -2.021 1.00 0.00 H new ATOM 250 N TYR A 23 -13.068 -1.359 -8.422 1.00 0.00 N ATOM 251 CA TYR A 23 -12.249 -0.382 -9.119 1.00 0.00 C ATOM 252 C TYR A 23 -12.540 -0.393 -10.621 1.00 0.00 C ATOM 253 O TYR A 23 -12.355 0.616 -11.301 1.00 0.00 O ATOM 254 CB TYR A 23 -10.797 -0.808 -8.890 1.00 0.00 C ATOM 255 CG TYR A 23 -9.838 -0.371 -9.998 1.00 0.00 C ATOM 256 CD1 TYR A 23 -9.289 0.896 -9.976 1.00 0.00 C ATOM 257 CD2 TYR A 23 -9.521 -1.242 -11.020 1.00 0.00 C ATOM 258 CE1 TYR A 23 -8.386 1.307 -11.020 1.00 0.00 C ATOM 259 CE2 TYR A 23 -8.618 -0.831 -12.064 1.00 0.00 C ATOM 260 CZ TYR A 23 -8.095 0.424 -12.012 1.00 0.00 C ATOM 261 OH TYR A 23 -7.242 0.812 -12.997 1.00 0.00 O ATOM 0 H TYR A 23 -12.546 -2.020 -7.846 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.453 0.623 -8.749 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.453 -0.394 -7.942 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.758 -1.893 -8.797 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.537 1.578 -9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.950 -2.233 -11.037 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.950 2.295 -11.015 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.362 -1.503 -12.869 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.126 0.079 -13.637 1.00 0.00 H new ATOM 271 N ARG A 24 -12.990 -1.545 -11.095 1.00 0.00 N ATOM 272 CA ARG A 24 -13.309 -1.701 -12.504 1.00 0.00 C ATOM 273 C ARG A 24 -14.755 -1.277 -12.772 1.00 0.00 C ATOM 274 O ARG A 24 -15.104 -0.925 -13.897 1.00 0.00 O ATOM 275 CB ARG A 24 -13.118 -3.151 -12.955 1.00 0.00 C ATOM 276 CG ARG A 24 -13.057 -3.247 -14.481 1.00 0.00 C ATOM 277 CD ARG A 24 -11.883 -4.121 -14.928 1.00 0.00 C ATOM 278 NE ARG A 24 -12.358 -5.488 -15.236 1.00 0.00 N ATOM 279 CZ ARG A 24 -11.543 -6.546 -15.431 1.00 0.00 C ATOM 280 NH1 ARG A 24 -10.203 -6.403 -15.352 1.00 0.00 N ATOM 281 NH2 ARG A 24 -12.076 -7.724 -15.701 1.00 0.00 N ATOM 0 H ARG A 24 -13.141 -2.380 -10.528 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.629 -1.064 -13.070 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.200 -3.551 -12.525 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.939 -3.763 -12.581 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.990 -3.663 -14.861 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.956 -2.249 -14.908 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.409 -3.685 -15.807 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.127 -4.158 -14.144 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.364 -5.640 -15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.799 -5.490 -15.143 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.595 -7.208 -15.501 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.089 -7.824 -15.759 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.474 -8.534 -15.851 1.00 0.00 H new ATOM 294 N GLN A 25 -15.557 -1.326 -11.718 1.00 0.00 N ATOM 295 CA GLN A 25 -16.956 -0.952 -11.825 1.00 0.00 C ATOM 296 C GLN A 25 -17.084 0.534 -12.167 1.00 0.00 C ATOM 297 O GLN A 25 -17.939 0.921 -12.963 1.00 0.00 O ATOM 298 CB GLN A 25 -17.713 -1.285 -10.538 1.00 0.00 C ATOM 299 CG GLN A 25 -18.017 -2.782 -10.452 1.00 0.00 C ATOM 300 CD GLN A 25 -19.091 -3.064 -9.399 1.00 0.00 C ATOM 301 OE1 GLN A 25 -18.898 -3.829 -8.468 1.00 0.00 O ATOM 302 NE2 GLN A 25 -20.229 -2.406 -9.597 1.00 0.00 N ATOM 0 H GLN A 25 -15.264 -1.619 -10.786 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.405 -1.531 -12.632 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.121 -0.980 -9.675 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.644 -0.719 -10.502 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.351 -3.145 -11.424 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.107 -3.328 -10.204 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.324 -1.781 -10.397 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.007 -2.527 -8.949 1.00 0.00 H new ATOM 311 N VAL A 26 -16.221 1.327 -11.549 1.00 0.00 N ATOM 312 CA VAL A 26 -16.226 2.762 -11.778 1.00 0.00 C ATOM 313 C VAL A 26 -15.687 3.052 -13.180 1.00 0.00 C ATOM 314 O VAL A 26 -16.189 3.937 -13.871 1.00 0.00 O ATOM 315 CB VAL A 26 -15.436 3.470 -10.675 1.00 0.00 C ATOM 316 CG1 VAL A 26 -15.585 2.741 -9.339 1.00 0.00 C ATOM 317 CG2 VAL A 26 -13.963 3.613 -11.062 1.00 0.00 C ATOM 0 H VAL A 26 -15.513 1.003 -10.890 1.00 0.00 H new ATOM 0 HA VAL A 26 -17.243 3.153 -11.734 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.850 4.472 -10.556 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.014 3.265 -8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.637 2.716 -9.054 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.211 1.722 -9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.424 4.119 -10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.531 2.625 -11.222 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.883 4.197 -11.979 1.00 0.00 H new ATOM 327 N GLU A 27 -14.672 2.289 -13.559 1.00 0.00 N ATOM 328 CA GLU A 27 -14.059 2.454 -14.866 1.00 0.00 C ATOM 329 C GLU A 27 -15.135 2.673 -15.932 1.00 0.00 C ATOM 330 O GLU A 27 -16.095 1.909 -16.017 1.00 0.00 O ATOM 331 CB GLU A 27 -13.179 1.252 -15.214 1.00 0.00 C ATOM 332 CG GLU A 27 -12.488 1.451 -16.565 1.00 0.00 C ATOM 333 CD GLU A 27 -12.255 0.111 -17.265 1.00 0.00 C ATOM 334 OE1 GLU A 27 -11.207 -0.520 -17.064 1.00 0.00 O ATOM 335 OE2 GLU A 27 -13.212 -0.271 -18.042 1.00 0.00 O ATOM 0 H GLU A 27 -14.259 1.555 -12.984 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.418 3.335 -14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.429 1.108 -14.436 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.787 0.348 -15.242 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.099 2.095 -17.198 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.535 1.959 -16.419 1.00 0.00 H new ATOM 343 N ALA A 28 -14.938 3.720 -16.719 1.00 0.00 N ATOM 344 CA ALA A 28 -15.878 4.050 -17.777 1.00 0.00 C ATOM 345 C ALA A 28 -15.172 3.955 -19.130 1.00 0.00 C ATOM 346 O ALA A 28 -13.944 3.918 -19.192 1.00 0.00 O ATOM 347 CB ALA A 28 -16.467 5.439 -17.522 1.00 0.00 C ATOM 0 H ALA A 28 -14.141 4.352 -16.645 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.706 3.342 -17.788 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.172 5.687 -18.316 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.984 5.444 -16.562 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.665 6.177 -17.506 1.00 0.00 H new ATOM 353 N GLY A 29 -15.978 3.918 -20.181 1.00 0.00 N ATOM 354 CA GLY A 29 -15.445 3.829 -21.530 1.00 0.00 C ATOM 355 C GLY A 29 -14.607 2.561 -21.705 1.00 0.00 C ATOM 356 O GLY A 29 -14.495 1.754 -20.784 1.00 0.00 O ATOM 0 H GLY A 29 -16.996 3.948 -20.126 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.264 3.830 -22.249 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.833 4.706 -21.742 1.00 0.00 H new ATOM 360 N ASN A 30 -14.038 2.425 -22.894 1.00 0.00 N ATOM 361 CA ASN A 30 -13.213 1.269 -23.202 1.00 0.00 C ATOM 362 C ASN A 30 -11.742 1.688 -23.219 1.00 0.00 C ATOM 363 O ASN A 30 -10.974 1.236 -24.067 1.00 0.00 O ATOM 364 CB ASN A 30 -13.558 0.698 -24.579 1.00 0.00 C ATOM 365 CG ASN A 30 -14.707 -0.308 -24.483 1.00 0.00 C ATOM 366 OD1 ASN A 30 -15.837 0.030 -24.171 1.00 0.00 O ATOM 367 ND2 ASN A 30 -14.357 -1.559 -24.769 1.00 0.00 N ATOM 0 H ASN A 30 -14.132 3.097 -23.656 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.396 0.511 -22.441 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.835 1.508 -25.254 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.680 0.213 -25.006 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.053 -2.304 -24.734 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.393 -1.773 -25.023 1.00 0.00 H new ATOM 374 N THR A 31 -11.393 2.546 -22.272 1.00 0.00 N ATOM 375 CA THR A 31 -10.027 3.031 -22.167 1.00 0.00 C ATOM 376 C THR A 31 -9.210 2.127 -21.241 1.00 0.00 C ATOM 377 O THR A 31 -7.981 2.171 -21.252 1.00 0.00 O ATOM 378 CB THR A 31 -10.077 4.489 -21.705 1.00 0.00 C ATOM 379 OG1 THR A 31 -8.721 4.803 -21.400 1.00 0.00 O ATOM 380 CG2 THR A 31 -10.807 4.655 -20.371 1.00 0.00 C ATOM 0 H THR A 31 -12.033 2.918 -21.570 1.00 0.00 H new ATOM 0 HA THR A 31 -9.520 2.998 -23.131 1.00 0.00 H new ATOM 0 HB THR A 31 -10.569 5.095 -22.466 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.661 5.732 -21.094 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.814 5.708 -20.089 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.832 4.299 -20.471 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.295 4.077 -19.602 1.00 0.00 H new ATOM 388 N GLY A 32 -9.927 1.330 -20.462 1.00 0.00 N ATOM 389 CA GLY A 32 -9.284 0.418 -19.532 1.00 0.00 C ATOM 390 C GLY A 32 -8.808 1.157 -18.280 1.00 0.00 C ATOM 391 O GLY A 32 -8.207 0.555 -17.391 1.00 0.00 O ATOM 0 H GLY A 32 -10.946 1.297 -20.456 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.981 -0.371 -19.250 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.436 -0.065 -20.018 1.00 0.00 H new ATOM 395 N ARG A 33 -9.095 2.450 -18.250 1.00 0.00 N ATOM 396 CA ARG A 33 -8.704 3.277 -17.121 1.00 0.00 C ATOM 397 C ARG A 33 -9.938 3.905 -16.470 1.00 0.00 C ATOM 398 O ARG A 33 -10.997 3.987 -17.090 1.00 0.00 O ATOM 399 CB ARG A 33 -7.746 4.387 -17.558 1.00 0.00 C ATOM 400 CG ARG A 33 -6.389 3.811 -17.967 1.00 0.00 C ATOM 401 CD ARG A 33 -5.269 4.368 -17.086 1.00 0.00 C ATOM 402 NE ARG A 33 -3.966 4.226 -17.774 1.00 0.00 N ATOM 403 CZ ARG A 33 -3.352 3.044 -17.996 1.00 0.00 C ATOM 404 NH1 ARG A 33 -3.919 1.890 -17.586 1.00 0.00 N ATOM 405 NH2 ARG A 33 -2.189 3.035 -18.620 1.00 0.00 N ATOM 0 H ARG A 33 -9.594 2.945 -18.989 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.196 2.636 -16.401 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.178 4.937 -18.394 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.612 5.099 -16.743 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.412 2.724 -17.888 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.188 4.050 -19.011 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.459 5.418 -16.862 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.246 3.838 -16.134 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.503 5.074 -18.101 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.818 1.906 -17.104 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.449 1.001 -17.758 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.768 3.912 -18.926 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.711 2.151 -18.796 1.00 0.00 H new ATOM 418 N VAL A 34 -9.761 4.331 -15.228 1.00 0.00 N ATOM 419 CA VAL A 34 -10.847 4.949 -14.487 1.00 0.00 C ATOM 420 C VAL A 34 -10.958 6.422 -14.885 1.00 0.00 C ATOM 421 O VAL A 34 -10.015 7.191 -14.702 1.00 0.00 O ATOM 422 CB VAL A 34 -10.634 4.750 -12.985 1.00 0.00 C ATOM 423 CG1 VAL A 34 -11.697 5.498 -12.177 1.00 0.00 C ATOM 424 CG2 VAL A 34 -10.618 3.263 -12.625 1.00 0.00 C ATOM 0 H VAL A 34 -8.882 4.260 -14.716 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.797 4.474 -14.734 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.661 5.167 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -11.523 5.340 -11.113 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.640 6.563 -12.400 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -12.686 5.124 -12.442 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.465 3.150 -11.552 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.569 2.810 -12.906 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.808 2.768 -13.161 1.00 0.00 H new ATOM 434 N LEU A 35 -12.118 6.771 -15.422 1.00 0.00 N ATOM 435 CA LEU A 35 -12.364 8.138 -15.848 1.00 0.00 C ATOM 436 C LEU A 35 -12.265 9.070 -14.638 1.00 0.00 C ATOM 437 O LEU A 35 -12.215 10.289 -14.792 1.00 0.00 O ATOM 438 CB LEU A 35 -13.697 8.236 -16.592 1.00 0.00 C ATOM 439 CG LEU A 35 -13.610 8.538 -18.089 1.00 0.00 C ATOM 440 CD1 LEU A 35 -14.963 8.328 -18.771 1.00 0.00 C ATOM 441 CD2 LEU A 35 -13.056 9.943 -18.334 1.00 0.00 C ATOM 0 H LEU A 35 -12.898 6.131 -15.572 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.604 8.458 -16.561 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.233 7.296 -16.462 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.298 9.013 -16.119 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.911 7.833 -18.539 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.873 8.550 -19.834 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.279 7.293 -18.642 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.703 8.992 -18.324 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.005 10.132 -19.406 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.711 10.679 -17.867 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.058 10.021 -17.904 1.00 0.00 H new ATOM 453 N ALA A 36 -12.240 8.460 -13.462 1.00 0.00 N ATOM 454 CA ALA A 36 -12.148 9.220 -12.227 1.00 0.00 C ATOM 455 C ALA A 36 -13.548 9.666 -11.802 1.00 0.00 C ATOM 456 O ALA A 36 -13.985 9.373 -10.690 1.00 0.00 O ATOM 457 CB ALA A 36 -11.195 10.401 -12.424 1.00 0.00 C ATOM 0 H ALA A 36 -12.282 7.448 -13.338 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.741 8.603 -11.426 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.126 10.971 -11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.207 10.030 -12.696 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.572 11.044 -13.219 1.00 0.00 H new ATOM 463 N LEU A 37 -14.213 10.365 -12.710 1.00 0.00 N ATOM 464 CA LEU A 37 -15.555 10.854 -12.442 1.00 0.00 C ATOM 465 C LEU A 37 -16.378 9.741 -11.791 1.00 0.00 C ATOM 466 O LEU A 37 -17.059 9.971 -10.793 1.00 0.00 O ATOM 467 CB LEU A 37 -16.184 11.418 -13.718 1.00 0.00 C ATOM 468 CG LEU A 37 -15.736 12.824 -14.122 1.00 0.00 C ATOM 469 CD1 LEU A 37 -16.651 13.887 -13.513 1.00 0.00 C ATOM 470 CD2 LEU A 37 -14.267 13.056 -13.761 1.00 0.00 C ATOM 0 H LEU A 37 -13.848 10.604 -13.632 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.524 11.683 -11.735 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.962 10.737 -14.540 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.267 11.425 -13.593 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.819 12.911 -15.205 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.310 14.877 -13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.672 13.732 -13.862 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -16.624 13.811 -12.426 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.974 14.063 -14.059 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.134 12.943 -12.685 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.645 12.328 -14.282 1.00 0.00 H new ATOM 482 N ASP A 38 -16.288 8.559 -12.382 1.00 0.00 N ATOM 483 CA ASP A 38 -17.016 7.409 -11.872 1.00 0.00 C ATOM 484 C ASP A 38 -16.470 7.037 -10.492 1.00 0.00 C ATOM 485 O ASP A 38 -17.224 6.621 -9.614 1.00 0.00 O ATOM 486 CB ASP A 38 -16.845 6.197 -12.790 1.00 0.00 C ATOM 487 CG ASP A 38 -18.014 5.938 -13.743 1.00 0.00 C ATOM 488 OD1 ASP A 38 -18.288 6.738 -14.650 1.00 0.00 O ATOM 489 OD2 ASP A 38 -18.666 4.847 -13.521 1.00 0.00 O ATOM 0 H ASP A 38 -15.722 8.372 -13.210 1.00 0.00 H new ATOM 0 HA ASP A 38 -18.072 7.675 -11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.938 6.332 -13.380 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.696 5.311 -12.173 1.00 0.00 H new ATOM 495 N ALA A 39 -15.164 7.200 -10.344 1.00 0.00 N ATOM 496 CA ALA A 39 -14.509 6.887 -9.085 1.00 0.00 C ATOM 497 C ALA A 39 -15.242 7.593 -7.943 1.00 0.00 C ATOM 498 O ALA A 39 -15.625 6.959 -6.961 1.00 0.00 O ATOM 499 CB ALA A 39 -13.033 7.285 -9.164 1.00 0.00 C ATOM 0 H ALA A 39 -14.541 7.545 -11.075 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.548 5.815 -8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.542 7.050 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.550 6.734 -9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.954 8.355 -9.358 1.00 0.00 H new ATOM 505 N ALA A 40 -15.417 8.896 -8.111 1.00 0.00 N ATOM 506 CA ALA A 40 -16.098 9.695 -7.106 1.00 0.00 C ATOM 507 C ALA A 40 -17.534 9.190 -6.947 1.00 0.00 C ATOM 508 O ALA A 40 -18.147 9.374 -5.896 1.00 0.00 O ATOM 509 CB ALA A 40 -16.040 11.171 -7.503 1.00 0.00 C ATOM 0 H ALA A 40 -15.099 9.418 -8.928 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.605 9.598 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.551 11.771 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.000 11.488 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.528 11.308 -8.468 1.00 0.00 H new ATOM 515 N ALA A 41 -18.028 8.562 -8.004 1.00 0.00 N ATOM 516 CA ALA A 41 -19.379 8.029 -7.994 1.00 0.00 C ATOM 517 C ALA A 41 -19.448 6.844 -7.030 1.00 0.00 C ATOM 518 O ALA A 41 -20.253 6.842 -6.099 1.00 0.00 O ATOM 519 CB ALA A 41 -19.788 7.647 -9.418 1.00 0.00 C ATOM 0 H ALA A 41 -17.516 8.410 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 41 -20.085 8.781 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.802 7.247 -9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -19.751 8.530 -10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.103 6.892 -9.803 1.00 0.00 H new ATOM 525 N PHE A 42 -18.594 5.864 -7.285 1.00 0.00 N ATOM 526 CA PHE A 42 -18.548 4.674 -6.452 1.00 0.00 C ATOM 527 C PHE A 42 -18.070 5.014 -5.038 1.00 0.00 C ATOM 528 O PHE A 42 -18.427 4.333 -4.078 1.00 0.00 O ATOM 529 CB PHE A 42 -17.549 3.713 -7.098 1.00 0.00 C ATOM 530 CG PHE A 42 -17.525 2.321 -6.464 1.00 0.00 C ATOM 531 CD1 PHE A 42 -16.703 2.067 -5.411 1.00 0.00 C ATOM 532 CD2 PHE A 42 -18.327 1.337 -6.953 1.00 0.00 C ATOM 533 CE1 PHE A 42 -16.681 0.775 -4.822 1.00 0.00 C ATOM 534 CE2 PHE A 42 -18.305 0.045 -6.364 1.00 0.00 C ATOM 535 CZ PHE A 42 -17.482 -0.208 -5.311 1.00 0.00 C ATOM 0 H PHE A 42 -17.928 5.870 -8.057 1.00 0.00 H new ATOM 0 HA PHE A 42 -19.543 4.235 -6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -17.788 3.615 -8.157 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.551 4.147 -7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.067 2.848 -5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -18.980 1.538 -7.789 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.028 0.574 -3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -18.942 -0.736 -6.752 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.465 -1.191 -4.863 1.00 0.00 H new ATOM 545 N LEU A 43 -17.270 6.067 -4.956 1.00 0.00 N ATOM 546 CA LEU A 43 -16.740 6.505 -3.676 1.00 0.00 C ATOM 547 C LEU A 43 -17.860 7.153 -2.859 1.00 0.00 C ATOM 548 O LEU A 43 -18.048 6.826 -1.689 1.00 0.00 O ATOM 549 CB LEU A 43 -15.525 7.412 -3.882 1.00 0.00 C ATOM 550 CG LEU A 43 -14.248 6.724 -4.368 1.00 0.00 C ATOM 551 CD1 LEU A 43 -13.190 7.752 -4.770 1.00 0.00 C ATOM 552 CD2 LEU A 43 -13.723 5.740 -3.321 1.00 0.00 C ATOM 0 H LEU A 43 -16.976 6.629 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.379 5.652 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.793 8.186 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -15.307 7.914 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.490 6.146 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.293 7.236 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.577 8.377 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.945 8.377 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.815 5.265 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.502 6.275 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.478 4.978 -3.127 1.00 0.00 H new ATOM 564 N LYS A 44 -18.574 8.060 -3.509 1.00 0.00 N ATOM 565 CA LYS A 44 -19.671 8.757 -2.858 1.00 0.00 C ATOM 566 C LYS A 44 -20.647 7.732 -2.277 1.00 0.00 C ATOM 567 O LYS A 44 -21.390 8.036 -1.345 1.00 0.00 O ATOM 568 CB LYS A 44 -20.323 9.749 -3.822 1.00 0.00 C ATOM 569 CG LYS A 44 -19.563 11.077 -3.840 1.00 0.00 C ATOM 570 CD LYS A 44 -20.526 12.258 -3.976 1.00 0.00 C ATOM 571 CE LYS A 44 -20.475 12.848 -5.386 1.00 0.00 C ATOM 572 NZ LYS A 44 -19.150 13.452 -5.647 1.00 0.00 N ATOM 0 H LYS A 44 -18.415 8.329 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.302 9.354 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.345 9.325 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.358 9.922 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.982 11.180 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.855 11.084 -4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -21.541 11.931 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.270 13.027 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.677 12.068 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.254 13.602 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.247 14.210 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.769 13.848 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.501 12.724 -6.008 1.00 0.00 H new ATOM 583 N LYS A 45 -20.613 6.538 -2.851 1.00 0.00 N ATOM 584 CA LYS A 45 -21.486 5.467 -2.402 1.00 0.00 C ATOM 585 C LYS A 45 -20.957 4.905 -1.081 1.00 0.00 C ATOM 586 O LYS A 45 -21.571 4.018 -0.490 1.00 0.00 O ATOM 587 CB LYS A 45 -21.648 4.412 -3.498 1.00 0.00 C ATOM 588 CG LYS A 45 -22.023 5.061 -4.832 1.00 0.00 C ATOM 589 CD LYS A 45 -23.397 4.584 -5.306 1.00 0.00 C ATOM 590 CE LYS A 45 -23.263 3.551 -6.426 1.00 0.00 C ATOM 591 NZ LYS A 45 -24.567 2.905 -6.695 1.00 0.00 N ATOM 0 H LYS A 45 -19.995 6.289 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 45 -22.489 5.848 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -20.719 3.853 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.418 3.697 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.028 6.146 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.271 4.819 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.943 4.149 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.979 5.435 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.896 4.034 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.528 2.797 -6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.458 2.207 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.902 2.428 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.259 3.626 -6.982 1.00 0.00 H new ATOM 602 N SER A 46 -19.824 5.443 -0.657 1.00 0.00 N ATOM 603 CA SER A 46 -19.205 5.007 0.583 1.00 0.00 C ATOM 604 C SER A 46 -20.094 5.380 1.771 1.00 0.00 C ATOM 605 O SER A 46 -20.711 4.511 2.387 1.00 0.00 O ATOM 606 CB SER A 46 -17.813 5.618 0.750 1.00 0.00 C ATOM 607 OG SER A 46 -17.874 7.006 1.067 1.00 0.00 O ATOM 0 H SER A 46 -19.317 6.178 -1.151 1.00 0.00 H new ATOM 0 HA SER A 46 -19.094 3.923 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.277 5.089 1.538 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.244 5.481 -0.170 1.00 0.00 H new ATOM 0 HG SER A 46 -17.959 7.527 0.241 1.00 0.00 H new ATOM 613 N GLY A 47 -20.133 6.673 2.058 1.00 0.00 N ATOM 614 CA GLY A 47 -20.936 7.171 3.161 1.00 0.00 C ATOM 615 C GLY A 47 -20.478 8.568 3.585 1.00 0.00 C ATOM 616 O GLY A 47 -21.266 9.349 4.117 1.00 0.00 O ATOM 0 H GLY A 47 -19.621 7.391 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -21.985 7.202 2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -20.862 6.488 4.007 1.00 0.00 H new ATOM 620 N LEU A 48 -19.206 8.840 3.335 1.00 0.00 N ATOM 621 CA LEU A 48 -18.633 10.129 3.685 1.00 0.00 C ATOM 622 C LEU A 48 -19.247 11.213 2.796 1.00 0.00 C ATOM 623 O LEU A 48 -19.820 10.912 1.750 1.00 0.00 O ATOM 624 CB LEU A 48 -17.105 10.072 3.620 1.00 0.00 C ATOM 625 CG LEU A 48 -16.403 9.494 4.850 1.00 0.00 C ATOM 626 CD1 LEU A 48 -14.983 9.039 4.506 1.00 0.00 C ATOM 627 CD2 LEU A 48 -16.420 10.491 6.010 1.00 0.00 C ATOM 0 H LEU A 48 -18.555 8.190 2.894 1.00 0.00 H new ATOM 0 HA LEU A 48 -18.875 10.387 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.820 9.479 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.730 11.082 3.453 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.954 8.612 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.505 8.632 5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.024 8.271 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.407 9.889 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.915 10.055 6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.906 11.405 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.451 10.724 6.274 1.00 0.00 H new ATOM 639 N PRO A 49 -19.102 12.484 3.257 1.00 0.00 N ATOM 640 CA PRO A 49 -19.635 13.614 2.516 1.00 0.00 C ATOM 641 C PRO A 49 -18.772 13.923 1.291 1.00 0.00 C ATOM 642 O PRO A 49 -17.886 13.146 0.940 1.00 0.00 O ATOM 643 CB PRO A 49 -19.677 14.757 3.517 1.00 0.00 C ATOM 644 CG PRO A 49 -18.738 14.358 4.644 1.00 0.00 C ATOM 645 CD PRO A 49 -18.429 12.878 4.492 1.00 0.00 C ATOM 0 HA PRO A 49 -20.628 13.420 2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.359 15.692 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -20.690 14.914 3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -17.821 14.946 4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -19.199 14.554 5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.355 12.702 4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.798 12.307 5.344 1.00 0.00 H new ATOM 653 N ASP A 50 -19.060 15.060 0.676 1.00 0.00 N ATOM 654 CA ASP A 50 -18.321 15.482 -0.502 1.00 0.00 C ATOM 655 C ASP A 50 -17.162 16.385 -0.076 1.00 0.00 C ATOM 656 O ASP A 50 -16.084 16.338 -0.667 1.00 0.00 O ATOM 657 CB ASP A 50 -19.214 16.277 -1.457 1.00 0.00 C ATOM 658 CG ASP A 50 -19.628 17.661 -0.953 1.00 0.00 C ATOM 659 OD1 ASP A 50 -20.555 17.793 -0.139 1.00 0.00 O ATOM 660 OD2 ASP A 50 -18.947 18.644 -1.436 1.00 0.00 O ATOM 0 H ASP A 50 -19.795 15.703 0.971 1.00 0.00 H new ATOM 0 HA ASP A 50 -17.956 14.589 -1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.692 16.394 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -20.114 15.696 -1.658 1.00 0.00 H new ATOM 666 N LEU A 51 -17.423 17.186 0.947 1.00 0.00 N ATOM 667 CA LEU A 51 -16.415 18.098 1.459 1.00 0.00 C ATOM 668 C LEU A 51 -15.199 17.296 1.928 1.00 0.00 C ATOM 669 O LEU A 51 -14.074 17.566 1.508 1.00 0.00 O ATOM 670 CB LEU A 51 -17.010 19.001 2.541 1.00 0.00 C ATOM 671 CG LEU A 51 -16.507 18.761 3.966 1.00 0.00 C ATOM 672 CD1 LEU A 51 -16.236 20.085 4.683 1.00 0.00 C ATOM 673 CD2 LEU A 51 -17.480 17.875 4.749 1.00 0.00 C ATOM 0 H LEU A 51 -18.318 17.222 1.435 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.071 18.768 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -16.805 20.038 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -18.093 18.878 2.534 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.559 18.226 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.880 19.885 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.479 20.647 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -17.156 20.668 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -17.099 17.720 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -18.454 18.361 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -17.580 16.913 4.247 1.00 0.00 H new ATOM 685 N ILE A 52 -15.465 16.327 2.791 1.00 0.00 N ATOM 686 CA ILE A 52 -14.407 15.485 3.321 1.00 0.00 C ATOM 687 C ILE A 52 -13.744 14.723 2.171 1.00 0.00 C ATOM 688 O ILE A 52 -12.535 14.498 2.187 1.00 0.00 O ATOM 689 CB ILE A 52 -14.947 14.578 4.428 1.00 0.00 C ATOM 690 CG1 ILE A 52 -15.269 15.384 5.688 1.00 0.00 C ATOM 691 CG2 ILE A 52 -13.981 13.427 4.715 1.00 0.00 C ATOM 692 CD1 ILE A 52 -14.988 14.565 6.950 1.00 0.00 C ATOM 0 H ILE A 52 -16.399 16.106 3.137 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.634 16.094 3.789 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.881 14.135 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.673 16.297 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.316 15.687 5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.389 12.798 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.845 12.832 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.019 13.830 5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -15.225 15.161 7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.603 13.665 6.944 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -13.935 14.284 6.975 1.00 0.00 H new ATOM 704 N LEU A 53 -14.564 14.347 1.201 1.00 0.00 N ATOM 705 CA LEU A 53 -14.072 13.616 0.046 1.00 0.00 C ATOM 706 C LEU A 53 -13.103 14.502 -0.738 1.00 0.00 C ATOM 707 O LEU A 53 -11.980 14.093 -1.030 1.00 0.00 O ATOM 708 CB LEU A 53 -15.240 13.089 -0.791 1.00 0.00 C ATOM 709 CG LEU A 53 -15.678 11.652 -0.503 1.00 0.00 C ATOM 710 CD1 LEU A 53 -16.947 11.299 -1.281 1.00 0.00 C ATOM 711 CD2 LEU A 53 -14.541 10.666 -0.782 1.00 0.00 C ATOM 0 H LEU A 53 -15.566 14.535 1.191 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.513 12.735 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -16.096 13.746 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.968 13.160 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.919 11.574 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -17.237 10.272 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -17.752 11.974 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -16.758 11.399 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.879 9.652 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.246 10.738 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.688 10.905 -0.147 1.00 0.00 H new ATOM 723 N GLY A 54 -13.572 15.699 -1.058 1.00 0.00 N ATOM 724 CA GLY A 54 -12.761 16.646 -1.803 1.00 0.00 C ATOM 725 C GLY A 54 -11.298 16.585 -1.358 1.00 0.00 C ATOM 726 O GLY A 54 -10.397 16.475 -2.188 1.00 0.00 O ATOM 0 H GLY A 54 -14.504 16.035 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.830 16.429 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.147 17.655 -1.657 1.00 0.00 H new ATOM 730 N LYS A 55 -11.107 16.658 -0.049 1.00 0.00 N ATOM 731 CA LYS A 55 -9.770 16.611 0.517 1.00 0.00 C ATOM 732 C LYS A 55 -9.093 15.302 0.106 1.00 0.00 C ATOM 733 O LYS A 55 -7.936 15.302 -0.312 1.00 0.00 O ATOM 734 CB LYS A 55 -9.820 16.830 2.030 1.00 0.00 C ATOM 735 CG LYS A 55 -9.813 18.322 2.369 1.00 0.00 C ATOM 736 CD LYS A 55 -8.514 18.718 3.074 1.00 0.00 C ATOM 737 CE LYS A 55 -7.603 19.516 2.139 1.00 0.00 C ATOM 738 NZ LYS A 55 -7.446 20.904 2.629 1.00 0.00 N ATOM 0 H LYS A 55 -11.857 16.749 0.636 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.160 17.423 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.717 16.365 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.966 16.343 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.928 18.907 1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.664 18.557 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.743 19.312 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.995 17.823 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.627 19.034 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.022 19.524 1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.825 21.432 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.377 21.366 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.026 20.891 3.580 1.00 0.00 H new ATOM 749 N ILE A 56 -9.842 14.218 0.241 1.00 0.00 N ATOM 750 CA ILE A 56 -9.328 12.905 -0.110 1.00 0.00 C ATOM 751 C ILE A 56 -8.861 12.918 -1.567 1.00 0.00 C ATOM 752 O ILE A 56 -7.725 12.549 -1.862 1.00 0.00 O ATOM 753 CB ILE A 56 -10.369 11.824 0.192 1.00 0.00 C ATOM 754 CG1 ILE A 56 -10.612 11.704 1.698 1.00 0.00 C ATOM 755 CG2 ILE A 56 -9.967 10.487 -0.433 1.00 0.00 C ATOM 756 CD1 ILE A 56 -11.257 10.360 2.043 1.00 0.00 C ATOM 0 H ILE A 56 -10.801 14.222 0.589 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.460 12.660 0.502 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.314 12.121 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.667 11.806 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.256 12.517 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.723 9.736 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.885 10.601 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.006 10.170 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.419 10.300 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -12.213 10.272 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.599 9.550 1.729 1.00 0.00 H new ATOM 768 N TRP A 57 -9.761 13.347 -2.440 1.00 0.00 N ATOM 769 CA TRP A 57 -9.454 13.413 -3.859 1.00 0.00 C ATOM 770 C TRP A 57 -8.199 14.271 -4.032 1.00 0.00 C ATOM 771 O TRP A 57 -7.206 13.816 -4.598 1.00 0.00 O ATOM 772 CB TRP A 57 -10.651 13.937 -4.655 1.00 0.00 C ATOM 773 CG TRP A 57 -10.472 13.860 -6.172 1.00 0.00 C ATOM 774 CD1 TRP A 57 -9.698 14.629 -6.951 1.00 0.00 C ATOM 775 CD2 TRP A 57 -11.114 12.929 -7.068 1.00 0.00 C ATOM 776 NE1 TRP A 57 -9.794 14.262 -8.278 1.00 0.00 N ATOM 777 CE2 TRP A 57 -10.683 13.195 -8.351 1.00 0.00 C ATOM 778 CE3 TRP A 57 -12.029 11.895 -6.802 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -11.113 12.472 -9.470 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -12.450 11.182 -7.931 1.00 0.00 C ATOM 781 CH2 TRP A 57 -12.025 11.438 -9.230 1.00 0.00 C ATOM 0 H TRP A 57 -10.702 13.652 -2.192 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.253 12.418 -4.257 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.538 13.368 -4.375 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -10.836 14.974 -4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.078 15.434 -6.586 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -9.303 14.694 -9.061 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.379 11.669 -5.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -10.760 12.700 -10.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -13.154 10.377 -7.783 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -12.397 10.842 -10.050 1.00 0.00 H new ATOM 792 N ASP A 58 -8.285 15.496 -3.536 1.00 0.00 N ATOM 793 CA ASP A 58 -7.169 16.421 -3.628 1.00 0.00 C ATOM 794 C ASP A 58 -5.878 15.697 -3.242 1.00 0.00 C ATOM 795 O ASP A 58 -4.852 15.856 -3.901 1.00 0.00 O ATOM 796 CB ASP A 58 -7.352 17.603 -2.674 1.00 0.00 C ATOM 797 CG ASP A 58 -6.644 18.891 -3.096 1.00 0.00 C ATOM 798 OD1 ASP A 58 -5.408 18.941 -3.187 1.00 0.00 O ATOM 799 OD2 ASP A 58 -7.425 19.888 -3.342 1.00 0.00 O ATOM 0 H ASP A 58 -9.111 15.870 -3.069 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.121 16.789 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.418 17.808 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.990 17.314 -1.688 1.00 0.00 H new ATOM 805 N LEU A 59 -5.972 14.916 -2.175 1.00 0.00 N ATOM 806 CA LEU A 59 -4.824 14.167 -1.693 1.00 0.00 C ATOM 807 C LEU A 59 -4.563 12.985 -2.629 1.00 0.00 C ATOM 808 O LEU A 59 -3.419 12.568 -2.805 1.00 0.00 O ATOM 809 CB LEU A 59 -5.024 13.761 -0.232 1.00 0.00 C ATOM 810 CG LEU A 59 -3.954 12.844 0.363 1.00 0.00 C ATOM 811 CD1 LEU A 59 -4.214 11.383 -0.011 1.00 0.00 C ATOM 812 CD2 LEU A 59 -2.552 13.299 -0.048 1.00 0.00 C ATOM 0 H LEU A 59 -6.825 14.786 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.930 14.790 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.074 14.667 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.990 13.264 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.010 12.914 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.439 10.752 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.188 11.077 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.201 11.277 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.810 12.630 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.466 13.277 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.380 14.314 0.309 1.00 0.00 H new ATOM 824 N ALA A 60 -5.643 12.477 -3.205 1.00 0.00 N ATOM 825 CA ALA A 60 -5.544 11.351 -4.119 1.00 0.00 C ATOM 826 C ALA A 60 -4.915 11.820 -5.433 1.00 0.00 C ATOM 827 O ALA A 60 -3.789 11.443 -5.755 1.00 0.00 O ATOM 828 CB ALA A 60 -6.930 10.737 -4.322 1.00 0.00 C ATOM 0 H ALA A 60 -6.591 12.824 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.901 10.575 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.857 9.893 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.320 10.394 -3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.602 11.486 -4.740 1.00 0.00 H new ATOM 834 N ASP A 61 -5.670 12.633 -6.156 1.00 0.00 N ATOM 835 CA ASP A 61 -5.201 13.157 -7.428 1.00 0.00 C ATOM 836 C ASP A 61 -3.705 13.464 -7.327 1.00 0.00 C ATOM 837 O ASP A 61 -3.273 14.173 -6.419 1.00 0.00 O ATOM 838 CB ASP A 61 -5.926 14.454 -7.791 1.00 0.00 C ATOM 839 CG ASP A 61 -5.382 15.175 -9.026 1.00 0.00 C ATOM 840 OD1 ASP A 61 -5.432 14.648 -10.147 1.00 0.00 O ATOM 841 OD2 ASP A 61 -4.884 16.343 -8.800 1.00 0.00 O ATOM 0 H ASP A 61 -6.604 12.942 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.398 12.408 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.980 14.230 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.873 15.133 -6.940 1.00 0.00 H new ATOM 847 N THR A 62 -2.956 12.915 -8.272 1.00 0.00 N ATOM 848 CA THR A 62 -1.518 13.122 -8.301 1.00 0.00 C ATOM 849 C THR A 62 -0.988 12.979 -9.729 1.00 0.00 C ATOM 850 O THR A 62 -0.181 13.791 -10.180 1.00 0.00 O ATOM 851 CB THR A 62 -0.880 12.142 -7.315 1.00 0.00 C ATOM 852 OG1 THR A 62 -0.755 12.893 -6.110 1.00 0.00 O ATOM 853 CG2 THR A 62 0.563 11.793 -7.687 1.00 0.00 C ATOM 0 H THR A 62 -3.318 12.327 -9.023 1.00 0.00 H new ATOM 0 HA THR A 62 -1.257 14.134 -7.991 1.00 0.00 H new ATOM 0 HB THR A 62 -1.475 11.230 -7.274 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.559 13.439 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.969 11.095 -6.955 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.583 11.335 -8.676 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.166 12.701 -7.695 1.00 0.00 H new ATOM 861 N ASP A 63 -1.462 11.940 -10.401 1.00 0.00 N ATOM 862 CA ASP A 63 -1.045 11.680 -11.769 1.00 0.00 C ATOM 863 C ASP A 63 -1.344 12.908 -12.630 1.00 0.00 C ATOM 864 O ASP A 63 -0.492 13.355 -13.397 1.00 0.00 O ATOM 865 CB ASP A 63 -1.806 10.492 -12.360 1.00 0.00 C ATOM 866 CG ASP A 63 -1.083 9.758 -13.491 1.00 0.00 C ATOM 867 OD1 ASP A 63 0.148 9.611 -13.472 1.00 0.00 O ATOM 868 OD2 ASP A 63 -1.847 9.322 -14.434 1.00 0.00 O ATOM 0 H ASP A 63 -2.131 11.268 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 63 0.022 11.457 -11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.016 9.781 -11.561 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.768 10.845 -12.733 1.00 0.00 H new ATOM 874 N GLY A 64 -2.556 13.420 -12.476 1.00 0.00 N ATOM 875 CA GLY A 64 -2.978 14.588 -13.230 1.00 0.00 C ATOM 876 C GLY A 64 -4.166 14.256 -14.135 1.00 0.00 C ATOM 877 O GLY A 64 -4.562 13.097 -14.247 1.00 0.00 O ATOM 0 H GLY A 64 -3.260 13.047 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.252 15.389 -12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.148 14.955 -13.833 1.00 0.00 H new ATOM 881 N LYS A 65 -4.701 15.295 -14.759 1.00 0.00 N ATOM 882 CA LYS A 65 -5.836 15.129 -15.651 1.00 0.00 C ATOM 883 C LYS A 65 -7.091 14.842 -14.825 1.00 0.00 C ATOM 884 O LYS A 65 -7.943 15.714 -14.659 1.00 0.00 O ATOM 885 CB LYS A 65 -5.537 14.062 -16.706 1.00 0.00 C ATOM 886 CG LYS A 65 -6.540 14.134 -17.859 1.00 0.00 C ATOM 887 CD LYS A 65 -6.233 13.075 -18.920 1.00 0.00 C ATOM 888 CE LYS A 65 -6.878 13.438 -20.259 1.00 0.00 C ATOM 889 NZ LYS A 65 -6.812 12.291 -21.193 1.00 0.00 N ATOM 0 H LYS A 65 -4.370 16.255 -14.665 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.022 16.049 -16.205 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.526 14.198 -17.090 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.574 13.073 -16.249 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.550 13.988 -17.476 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.510 15.126 -18.310 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.154 12.982 -19.045 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.600 12.104 -18.587 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.917 13.728 -20.102 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.369 14.298 -20.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.254 12.554 -22.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.818 12.033 -21.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.318 11.480 -20.783 1.00 0.00 H new ATOM 900 N GLY A 66 -7.166 13.615 -14.328 1.00 0.00 N ATOM 901 CA GLY A 66 -8.303 13.202 -13.523 1.00 0.00 C ATOM 902 C GLY A 66 -8.342 11.680 -13.371 1.00 0.00 C ATOM 903 O GLY A 66 -8.493 11.168 -12.263 1.00 0.00 O ATOM 0 H GLY A 66 -6.458 12.894 -14.468 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.245 13.668 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.227 13.549 -13.986 1.00 0.00 H new ATOM 907 N VAL A 67 -8.205 11.001 -14.500 1.00 0.00 N ATOM 908 CA VAL A 67 -8.223 9.548 -14.505 1.00 0.00 C ATOM 909 C VAL A 67 -7.451 9.028 -13.291 1.00 0.00 C ATOM 910 O VAL A 67 -6.461 9.628 -12.876 1.00 0.00 O ATOM 911 CB VAL A 67 -7.672 9.023 -15.833 1.00 0.00 C ATOM 912 CG1 VAL A 67 -7.781 7.498 -15.907 1.00 0.00 C ATOM 913 CG2 VAL A 67 -8.380 9.681 -17.019 1.00 0.00 C ATOM 0 H VAL A 67 -8.081 11.430 -15.417 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.245 9.179 -14.423 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.616 9.287 -15.885 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.383 7.151 -16.860 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.211 7.053 -15.092 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.827 7.203 -15.822 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.970 9.290 -17.950 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.447 9.462 -16.973 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.229 10.760 -16.980 1.00 0.00 H new ATOM 923 N LEU A 68 -7.934 7.916 -12.754 1.00 0.00 N ATOM 924 CA LEU A 68 -7.302 7.309 -11.596 1.00 0.00 C ATOM 925 C LEU A 68 -6.452 6.120 -12.049 1.00 0.00 C ATOM 926 O LEU A 68 -6.227 5.933 -13.243 1.00 0.00 O ATOM 927 CB LEU A 68 -8.351 6.949 -10.541 1.00 0.00 C ATOM 928 CG LEU A 68 -9.234 8.099 -10.053 1.00 0.00 C ATOM 929 CD1 LEU A 68 -10.197 7.627 -8.962 1.00 0.00 C ATOM 930 CD2 LEU A 68 -8.384 9.286 -9.593 1.00 0.00 C ATOM 0 H LEU A 68 -8.756 7.421 -13.100 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.628 8.017 -11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.995 6.170 -10.949 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.839 6.520 -9.680 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.841 8.443 -10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.813 8.464 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.838 6.839 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.628 7.241 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.036 10.090 -9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.734 8.973 -8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.775 9.642 -10.424 1.00 0.00 H new ATOM 942 N SER A 69 -6.004 5.347 -11.070 1.00 0.00 N ATOM 943 CA SER A 69 -5.184 4.181 -11.353 1.00 0.00 C ATOM 944 C SER A 69 -5.456 3.087 -10.319 1.00 0.00 C ATOM 945 O SER A 69 -6.465 3.128 -9.617 1.00 0.00 O ATOM 946 CB SER A 69 -3.698 4.543 -11.365 1.00 0.00 C ATOM 947 OG SER A 69 -3.443 5.728 -12.115 1.00 0.00 O ATOM 0 H SER A 69 -6.193 5.505 -10.080 1.00 0.00 H new ATOM 0 HA SER A 69 -5.447 3.809 -12.343 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.350 4.680 -10.341 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.127 3.716 -11.788 1.00 0.00 H new ATOM 0 HG SER A 69 -2.483 5.926 -12.097 1.00 0.00 H new ATOM 953 N LYS A 70 -4.537 2.134 -10.258 1.00 0.00 N ATOM 954 CA LYS A 70 -4.665 1.031 -9.321 1.00 0.00 C ATOM 955 C LYS A 70 -4.572 1.567 -7.891 1.00 0.00 C ATOM 956 O LYS A 70 -5.581 1.952 -7.302 1.00 0.00 O ATOM 957 CB LYS A 70 -3.640 -0.061 -9.636 1.00 0.00 C ATOM 958 CG LYS A 70 -3.908 -0.686 -11.007 1.00 0.00 C ATOM 959 CD LYS A 70 -2.631 -1.294 -11.591 1.00 0.00 C ATOM 960 CE LYS A 70 -2.948 -2.174 -12.802 1.00 0.00 C ATOM 961 NZ LYS A 70 -1.897 -2.032 -13.834 1.00 0.00 N ATOM 0 H LYS A 70 -3.701 2.103 -10.842 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.642 0.558 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.635 0.361 -9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.677 -0.833 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.673 -1.457 -10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.298 0.072 -11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.946 -0.498 -11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.124 -1.886 -10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.023 -3.216 -12.492 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.916 -1.895 -13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.127 -2.636 -14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.844 -1.040 -14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.980 -2.321 -13.437 1.00 0.00 H new ATOM 972 N GLN A 71 -3.352 1.577 -7.375 1.00 0.00 N ATOM 973 CA GLN A 71 -3.115 2.060 -6.025 1.00 0.00 C ATOM 974 C GLN A 71 -3.910 3.343 -5.773 1.00 0.00 C ATOM 975 O GLN A 71 -4.617 3.453 -4.773 1.00 0.00 O ATOM 976 CB GLN A 71 -1.621 2.283 -5.778 1.00 0.00 C ATOM 977 CG GLN A 71 -1.145 1.498 -4.554 1.00 0.00 C ATOM 978 CD GLN A 71 -0.746 2.442 -3.418 1.00 0.00 C ATOM 979 OE1 GLN A 71 -0.665 3.649 -3.579 1.00 0.00 O ATOM 980 NE2 GLN A 71 -0.502 1.828 -2.264 1.00 0.00 N ATOM 0 H GLN A 71 -2.517 1.259 -7.867 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.457 1.300 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.053 1.974 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.428 3.346 -5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.937 0.830 -4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.295 0.872 -4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.588 0.814 -2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.228 2.371 -1.445 1.00 0.00 H new ATOM 989 N GLU A 72 -3.767 4.281 -6.698 1.00 0.00 N ATOM 990 CA GLU A 72 -4.463 5.552 -6.589 1.00 0.00 C ATOM 991 C GLU A 72 -5.882 5.336 -6.060 1.00 0.00 C ATOM 992 O GLU A 72 -6.200 5.738 -4.942 1.00 0.00 O ATOM 993 CB GLU A 72 -4.484 6.283 -7.932 1.00 0.00 C ATOM 994 CG GLU A 72 -3.288 7.229 -8.061 1.00 0.00 C ATOM 995 CD GLU A 72 -3.656 8.472 -8.873 1.00 0.00 C ATOM 996 OE1 GLU A 72 -3.012 8.760 -9.892 1.00 0.00 O ATOM 997 OE2 GLU A 72 -4.653 9.149 -8.411 1.00 0.00 O ATOM 0 H GLU A 72 -3.179 4.186 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.923 6.180 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.467 5.557 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.411 6.848 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.947 7.526 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.459 6.709 -8.541 1.00 0.00 H new ATOM 1005 N PHE A 73 -6.698 4.701 -6.889 1.00 0.00 N ATOM 1006 CA PHE A 73 -8.076 4.426 -6.519 1.00 0.00 C ATOM 1007 C PHE A 73 -8.143 3.523 -5.286 1.00 0.00 C ATOM 1008 O PHE A 73 -9.030 3.676 -4.447 1.00 0.00 O ATOM 1009 CB PHE A 73 -8.721 3.703 -7.702 1.00 0.00 C ATOM 1010 CG PHE A 73 -10.084 3.084 -7.385 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -10.158 1.826 -6.875 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -11.222 3.793 -7.613 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -11.422 1.251 -6.581 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -12.487 3.219 -7.319 1.00 0.00 C ATOM 1015 CZ PHE A 73 -12.561 1.960 -6.809 1.00 0.00 C ATOM 0 H PHE A 73 -6.431 4.369 -7.816 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.590 5.357 -6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.836 4.407 -8.526 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.048 2.918 -8.045 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.254 1.264 -6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.164 4.793 -8.018 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.480 0.251 -6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -13.391 3.782 -7.500 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.523 1.523 -6.585 1.00 0.00 H new ATOM 1025 N PHE A 74 -7.194 2.601 -5.215 1.00 0.00 N ATOM 1026 CA PHE A 74 -7.134 1.673 -4.098 1.00 0.00 C ATOM 1027 C PHE A 74 -6.715 2.388 -2.812 1.00 0.00 C ATOM 1028 O PHE A 74 -6.768 1.808 -1.729 1.00 0.00 O ATOM 1029 CB PHE A 74 -6.081 0.620 -4.448 1.00 0.00 C ATOM 1030 CG PHE A 74 -6.666 -0.725 -4.883 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.274 -0.842 -6.094 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -6.579 -1.803 -4.059 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -7.817 -2.090 -6.498 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -7.122 -3.051 -4.463 1.00 0.00 C ATOM 1035 CZ PHE A 74 -7.730 -3.169 -5.674 1.00 0.00 C ATOM 0 H PHE A 74 -6.460 2.477 -5.913 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.115 1.228 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.449 1.005 -5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.438 0.462 -3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.344 0.014 -6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.097 -1.710 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.299 -2.183 -7.460 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.052 -3.907 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.143 -4.118 -5.981 1.00 0.00 H new ATOM 1045 N VAL A 75 -6.309 3.639 -2.974 1.00 0.00 N ATOM 1046 CA VAL A 75 -5.881 4.440 -1.840 1.00 0.00 C ATOM 1047 C VAL A 75 -7.067 5.255 -1.320 1.00 0.00 C ATOM 1048 O VAL A 75 -7.429 5.154 -0.149 1.00 0.00 O ATOM 1049 CB VAL A 75 -4.685 5.309 -2.234 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -4.661 6.608 -1.425 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -3.372 4.540 -2.075 1.00 0.00 C ATOM 0 H VAL A 75 -6.267 4.117 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.545 3.799 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.794 5.571 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.801 7.207 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.577 7.169 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.588 6.374 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.538 5.181 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.253 4.233 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.388 3.657 -2.714 1.00 0.00 H new ATOM 1061 N ALA A 76 -7.640 6.044 -2.217 1.00 0.00 N ATOM 1062 CA ALA A 76 -8.777 6.876 -1.864 1.00 0.00 C ATOM 1063 C ALA A 76 -9.873 6.001 -1.251 1.00 0.00 C ATOM 1064 O ALA A 76 -10.684 6.480 -0.460 1.00 0.00 O ATOM 1065 CB ALA A 76 -9.261 7.633 -3.103 1.00 0.00 C ATOM 0 H ALA A 76 -7.338 6.124 -3.188 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.492 7.619 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.114 8.257 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.456 8.262 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.558 6.920 -3.872 1.00 0.00 H new ATOM 1071 N LEU A 77 -9.860 4.734 -1.639 1.00 0.00 N ATOM 1072 CA LEU A 77 -10.842 3.788 -1.137 1.00 0.00 C ATOM 1073 C LEU A 77 -10.679 3.645 0.378 1.00 0.00 C ATOM 1074 O LEU A 77 -11.491 4.160 1.145 1.00 0.00 O ATOM 1075 CB LEU A 77 -10.744 2.462 -1.894 1.00 0.00 C ATOM 1076 CG LEU A 77 -11.972 2.069 -2.718 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -11.603 1.047 -3.796 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -13.101 1.568 -1.816 1.00 0.00 C ATOM 0 H LEU A 77 -9.185 4.341 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.852 4.157 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.883 2.510 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.545 1.669 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.340 2.959 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.493 0.784 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.856 1.476 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.197 0.152 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.961 1.296 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.761 0.695 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.386 2.356 -1.119 1.00 0.00 H new ATOM 1090 N ARG A 78 -9.623 2.944 0.763 1.00 0.00 N ATOM 1091 CA ARG A 78 -9.343 2.727 2.172 1.00 0.00 C ATOM 1092 C ARG A 78 -9.375 4.055 2.931 1.00 0.00 C ATOM 1093 O ARG A 78 -9.900 4.128 4.040 1.00 0.00 O ATOM 1094 CB ARG A 78 -7.975 2.069 2.367 1.00 0.00 C ATOM 1095 CG ARG A 78 -7.955 0.659 1.772 1.00 0.00 C ATOM 1096 CD ARG A 78 -9.106 -0.185 2.323 1.00 0.00 C ATOM 1097 NE ARG A 78 -10.274 -0.101 1.418 1.00 0.00 N ATOM 1098 CZ ARG A 78 -10.264 -0.507 0.131 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -9.145 -1.029 -0.415 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -11.366 -0.386 -0.587 1.00 0.00 N ATOM 0 H ARG A 78 -8.951 2.519 0.124 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.113 2.062 2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.204 2.678 1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.738 2.022 3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.030 0.718 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.004 0.177 2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.790 -1.223 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.381 0.165 3.318 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.140 0.288 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.298 -1.119 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.147 -1.333 -1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.207 0.009 -0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.376 -0.688 -1.561 1.00 0.00 H new ATOM 1113 N LEU A 79 -8.805 5.073 2.302 1.00 0.00 N ATOM 1114 CA LEU A 79 -8.762 6.395 2.903 1.00 0.00 C ATOM 1115 C LEU A 79 -10.132 6.725 3.499 1.00 0.00 C ATOM 1116 O LEU A 79 -10.220 7.281 4.592 1.00 0.00 O ATOM 1117 CB LEU A 79 -8.266 7.428 1.890 1.00 0.00 C ATOM 1118 CG LEU A 79 -7.432 8.578 2.459 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -7.076 9.589 1.367 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -8.142 9.238 3.642 1.00 0.00 C ATOM 0 H LEU A 79 -8.369 5.008 1.382 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.044 6.418 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.671 6.912 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.131 7.851 1.379 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.495 8.167 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.483 10.396 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.500 9.093 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.991 9.999 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.528 10.052 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.104 9.633 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.301 8.500 4.428 1.00 0.00 H new ATOM 1132 N VAL A 80 -11.167 6.367 2.753 1.00 0.00 N ATOM 1133 CA VAL A 80 -12.529 6.619 3.193 1.00 0.00 C ATOM 1134 C VAL A 80 -12.773 5.897 4.520 1.00 0.00 C ATOM 1135 O VAL A 80 -13.392 6.450 5.427 1.00 0.00 O ATOM 1136 CB VAL A 80 -13.517 6.208 2.099 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -14.960 6.319 2.594 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -13.306 7.038 0.831 1.00 0.00 C ATOM 0 H VAL A 80 -11.090 5.905 1.847 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.683 7.684 3.368 1.00 0.00 H new ATOM 0 HB VAL A 80 -13.328 5.164 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.642 6.021 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.101 5.666 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.167 7.349 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.020 6.726 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.455 8.094 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.292 6.886 0.461 1.00 0.00 H new ATOM 1148 N ALA A 81 -12.272 4.672 4.591 1.00 0.00 N ATOM 1149 CA ALA A 81 -12.428 3.869 5.792 1.00 0.00 C ATOM 1150 C ALA A 81 -11.738 4.571 6.963 1.00 0.00 C ATOM 1151 O ALA A 81 -12.024 4.278 8.123 1.00 0.00 O ATOM 1152 CB ALA A 81 -11.871 2.466 5.544 1.00 0.00 C ATOM 0 H ALA A 81 -11.758 4.216 3.837 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.482 3.761 6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.988 1.864 6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.414 1.999 4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.814 2.534 5.288 1.00 0.00 H new ATOM 1158 N CYS A 82 -10.843 5.485 6.619 1.00 0.00 N ATOM 1159 CA CYS A 82 -10.110 6.232 7.628 1.00 0.00 C ATOM 1160 C CYS A 82 -11.086 7.179 8.328 1.00 0.00 C ATOM 1161 O CYS A 82 -11.458 6.954 9.478 1.00 0.00 O ATOM 1162 CB CYS A 82 -8.921 6.981 7.024 1.00 0.00 C ATOM 1163 SG CYS A 82 -7.452 6.795 8.099 1.00 0.00 S ATOM 0 H CYS A 82 -10.608 5.726 5.656 1.00 0.00 H new ATOM 0 HA CYS A 82 -9.687 5.543 8.359 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.705 6.594 6.028 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -9.166 8.037 6.909 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.928 7.963 8.324 1.00 0.00 H new ATOM 1169 N ALA A 83 -11.472 8.220 7.604 1.00 0.00 N ATOM 1170 CA ALA A 83 -12.398 9.202 8.141 1.00 0.00 C ATOM 1171 C ALA A 83 -13.653 8.490 8.651 1.00 0.00 C ATOM 1172 O ALA A 83 -14.356 9.007 9.517 1.00 0.00 O ATOM 1173 CB ALA A 83 -12.715 10.246 7.068 1.00 0.00 C ATOM 0 H ALA A 83 -11.160 8.404 6.650 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.952 9.727 8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.410 10.983 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.795 10.744 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.166 9.756 6.205 1.00 0.00 H new ATOM 1179 N GLN A 84 -13.895 7.314 8.091 1.00 0.00 N ATOM 1180 CA GLN A 84 -15.052 6.525 8.478 1.00 0.00 C ATOM 1181 C GLN A 84 -15.045 6.277 9.988 1.00 0.00 C ATOM 1182 O GLN A 84 -16.076 5.944 10.571 1.00 0.00 O ATOM 1183 CB GLN A 84 -15.099 5.205 7.705 1.00 0.00 C ATOM 1184 CG GLN A 84 -15.698 5.407 6.312 1.00 0.00 C ATOM 1185 CD GLN A 84 -17.075 4.747 6.206 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -17.549 4.091 7.119 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -17.688 4.958 5.045 1.00 0.00 N ATOM 0 H GLN A 84 -13.310 6.888 7.372 1.00 0.00 H new ATOM 0 HA GLN A 84 -15.951 7.087 8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.093 4.795 7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.692 4.477 8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.784 6.473 6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.030 4.986 5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -17.234 5.517 4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -18.612 4.561 4.877 1.00 0.00 H new ATOM 1196 N ASN A 85 -13.871 6.448 10.578 1.00 0.00 N ATOM 1197 CA ASN A 85 -13.716 6.247 12.008 1.00 0.00 C ATOM 1198 C ASN A 85 -13.349 7.577 12.669 1.00 0.00 C ATOM 1199 O ASN A 85 -12.815 7.597 13.777 1.00 0.00 O ATOM 1200 CB ASN A 85 -12.597 5.246 12.305 1.00 0.00 C ATOM 1201 CG ASN A 85 -12.831 4.544 13.645 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -12.200 4.837 14.647 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -13.770 3.603 13.605 1.00 0.00 N ATOM 0 H ASN A 85 -13.018 6.724 10.091 1.00 0.00 H new ATOM 0 HA ASN A 85 -14.658 5.862 12.399 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -12.545 4.506 11.507 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.637 5.763 12.324 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.000 3.076 14.447 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.260 3.408 12.732 1.00 0.00 H new ATOM 1210 N GLY A 86 -13.650 8.656 11.962 1.00 0.00 N ATOM 1211 CA GLY A 86 -13.358 9.987 12.466 1.00 0.00 C ATOM 1212 C GLY A 86 -11.861 10.290 12.381 1.00 0.00 C ATOM 1213 O GLY A 86 -11.388 11.268 12.957 1.00 0.00 O ATOM 0 H GLY A 86 -14.093 8.636 11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.915 10.727 11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.691 10.069 13.501 1.00 0.00 H new ATOM 1217 N LEU A 87 -11.156 9.432 11.657 1.00 0.00 N ATOM 1218 CA LEU A 87 -9.723 9.595 11.489 1.00 0.00 C ATOM 1219 C LEU A 87 -9.456 10.692 10.456 1.00 0.00 C ATOM 1220 O LEU A 87 -10.379 11.159 9.790 1.00 0.00 O ATOM 1221 CB LEU A 87 -9.067 8.256 11.147 1.00 0.00 C ATOM 1222 CG LEU A 87 -9.026 7.222 12.275 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -8.542 5.866 11.758 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -8.180 7.723 13.447 1.00 0.00 C ATOM 0 H LEU A 87 -11.552 8.622 11.180 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.265 9.918 12.424 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.597 7.820 10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.045 8.448 10.819 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.041 7.082 12.647 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.522 5.150 12.579 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.219 5.510 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.539 5.971 11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.167 6.970 14.235 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.161 7.910 13.107 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.608 8.647 13.836 1.00 0.00 H new ATOM 1236 N GLU A 88 -8.191 11.070 10.355 1.00 0.00 N ATOM 1237 CA GLU A 88 -7.791 12.103 9.414 1.00 0.00 C ATOM 1238 C GLU A 88 -8.304 11.771 8.012 1.00 0.00 C ATOM 1239 O GLU A 88 -8.779 10.663 7.767 1.00 0.00 O ATOM 1240 CB GLU A 88 -6.272 12.286 9.413 1.00 0.00 C ATOM 1241 CG GLU A 88 -5.899 13.768 9.343 1.00 0.00 C ATOM 1242 CD GLU A 88 -6.579 14.559 10.463 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -6.372 14.258 11.648 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -7.346 15.517 10.066 1.00 0.00 O ATOM 0 H GLU A 88 -7.429 10.680 10.909 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.237 13.046 9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.848 11.843 10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.839 11.758 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.817 13.878 9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.193 14.175 8.375 1.00 0.00 H new ATOM 1252 N VAL A 89 -8.192 12.751 7.127 1.00 0.00 N ATOM 1253 CA VAL A 89 -8.639 12.576 5.756 1.00 0.00 C ATOM 1254 C VAL A 89 -7.423 12.552 4.827 1.00 0.00 C ATOM 1255 O VAL A 89 -7.527 12.140 3.673 1.00 0.00 O ATOM 1256 CB VAL A 89 -9.648 13.667 5.391 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -10.261 13.408 4.014 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -10.734 13.788 6.461 1.00 0.00 C ATOM 0 H VAL A 89 -7.798 13.669 7.333 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.155 11.623 5.641 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.114 14.616 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.974 14.198 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.473 13.395 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.773 12.446 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.438 14.570 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.263 12.839 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.276 14.041 7.417 1.00 0.00 H new ATOM 1268 N SER A 90 -6.298 12.998 5.366 1.00 0.00 N ATOM 1269 CA SER A 90 -5.064 13.033 4.600 1.00 0.00 C ATOM 1270 C SER A 90 -4.248 11.766 4.865 1.00 0.00 C ATOM 1271 O SER A 90 -4.166 11.302 6.001 1.00 0.00 O ATOM 1272 CB SER A 90 -4.239 14.276 4.940 1.00 0.00 C ATOM 1273 OG SER A 90 -4.832 15.466 4.428 1.00 0.00 O ATOM 0 H SER A 90 -6.215 13.338 6.324 1.00 0.00 H new ATOM 0 HA SER A 90 -5.320 13.079 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.137 14.358 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.234 14.167 4.532 1.00 0.00 H new ATOM 0 HG SER A 90 -4.277 16.237 4.667 1.00 0.00 H new ATOM 1279 N LEU A 91 -3.664 11.243 3.797 1.00 0.00 N ATOM 1280 CA LEU A 91 -2.857 10.038 3.900 1.00 0.00 C ATOM 1281 C LEU A 91 -1.823 10.216 5.014 1.00 0.00 C ATOM 1282 O LEU A 91 -1.321 9.236 5.561 1.00 0.00 O ATOM 1283 CB LEU A 91 -2.244 9.686 2.543 1.00 0.00 C ATOM 1284 CG LEU A 91 -3.034 8.693 1.688 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -2.635 8.799 0.214 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -2.882 7.268 2.222 1.00 0.00 C ATOM 0 H LEU A 91 -3.733 11.631 2.856 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.478 9.185 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.119 10.607 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.248 9.278 2.712 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.091 8.951 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.211 8.083 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.837 9.808 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.572 8.582 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.453 6.582 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.830 6.984 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.254 7.221 3.245 1.00 0.00 H new ATOM 1298 N SER A 92 -1.537 11.474 5.316 1.00 0.00 N ATOM 1299 CA SER A 92 -0.572 11.792 6.355 1.00 0.00 C ATOM 1300 C SER A 92 -0.947 11.077 7.655 1.00 0.00 C ATOM 1301 O SER A 92 -0.105 10.897 8.534 1.00 0.00 O ATOM 1302 CB SER A 92 -0.489 13.302 6.585 1.00 0.00 C ATOM 1303 OG SER A 92 0.131 13.976 5.493 1.00 0.00 O ATOM 0 H SER A 92 -1.956 12.284 4.860 1.00 0.00 H new ATOM 0 HA SER A 92 0.409 11.447 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.492 13.701 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.072 13.499 7.498 1.00 0.00 H new ATOM 0 HG SER A 92 0.163 14.938 5.678 1.00 0.00 H new ATOM 1309 N SER A 93 -2.211 10.688 7.735 1.00 0.00 N ATOM 1310 CA SER A 93 -2.708 9.997 8.912 1.00 0.00 C ATOM 1311 C SER A 93 -3.231 8.612 8.524 1.00 0.00 C ATOM 1312 O SER A 93 -4.139 8.086 9.166 1.00 0.00 O ATOM 1313 CB SER A 93 -3.807 10.805 9.603 1.00 0.00 C ATOM 1314 OG SER A 93 -3.530 11.011 10.986 1.00 0.00 O ATOM 0 H SER A 93 -2.906 10.838 7.004 1.00 0.00 H new ATOM 0 HA SER A 93 -1.883 9.883 9.615 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.914 11.770 9.107 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.759 10.285 9.498 1.00 0.00 H new ATOM 0 HG SER A 93 -3.783 11.924 11.238 1.00 0.00 H new ATOM 1320 N LEU A 94 -2.636 8.062 7.476 1.00 0.00 N ATOM 1321 CA LEU A 94 -3.031 6.749 6.995 1.00 0.00 C ATOM 1322 C LEU A 94 -1.933 5.737 7.328 1.00 0.00 C ATOM 1323 O LEU A 94 -0.915 6.093 7.921 1.00 0.00 O ATOM 1324 CB LEU A 94 -3.383 6.807 5.507 1.00 0.00 C ATOM 1325 CG LEU A 94 -4.839 7.138 5.174 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -5.751 5.942 5.456 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -5.299 8.396 5.915 1.00 0.00 C ATOM 0 H LEU A 94 -1.883 8.502 6.946 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.937 6.415 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.744 7.551 5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.138 5.844 5.058 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.906 7.350 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.780 6.204 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.437 5.094 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.686 5.675 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.337 8.609 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.214 8.237 6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.674 9.240 5.623 1.00 0.00 H new ATOM 1339 N SER A 95 -2.177 4.496 6.933 1.00 0.00 N ATOM 1340 CA SER A 95 -1.222 3.430 7.183 1.00 0.00 C ATOM 1341 C SER A 95 -1.408 2.881 8.599 1.00 0.00 C ATOM 1342 O SER A 95 -0.511 2.240 9.143 1.00 0.00 O ATOM 1343 CB SER A 95 0.214 3.921 6.989 1.00 0.00 C ATOM 1344 OG SER A 95 0.785 4.397 8.205 1.00 0.00 O ATOM 0 H SER A 95 -3.022 4.205 6.442 1.00 0.00 H new ATOM 0 HA SER A 95 -1.405 2.632 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.825 3.108 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.227 4.718 6.246 1.00 0.00 H new ATOM 0 HG SER A 95 0.315 5.208 8.492 1.00 0.00 H new ATOM 1350 N LEU A 96 -2.580 3.152 9.154 1.00 0.00 N ATOM 1351 CA LEU A 96 -2.896 2.693 10.496 1.00 0.00 C ATOM 1352 C LEU A 96 -3.881 1.525 10.413 1.00 0.00 C ATOM 1353 O LEU A 96 -4.023 0.902 9.361 1.00 0.00 O ATOM 1354 CB LEU A 96 -3.393 3.856 11.357 1.00 0.00 C ATOM 1355 CG LEU A 96 -2.845 5.238 10.998 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -3.836 6.338 11.383 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -1.468 5.462 11.626 1.00 0.00 C ATOM 0 H LEU A 96 -3.322 3.683 8.699 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.000 2.320 10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.481 3.890 11.293 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.141 3.646 12.397 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.717 5.284 9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.422 7.310 11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.774 6.185 10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.019 6.303 12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.101 6.452 11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.546 5.388 12.711 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.774 4.705 11.260 1.00 0.00 H new ATOM 1369 N ALA A 97 -4.536 1.263 11.534 1.00 0.00 N ATOM 1370 CA ALA A 97 -5.503 0.181 11.601 1.00 0.00 C ATOM 1371 C ALA A 97 -6.898 0.730 11.291 1.00 0.00 C ATOM 1372 O ALA A 97 -7.806 0.627 12.113 1.00 0.00 O ATOM 1373 CB ALA A 97 -5.431 -0.484 12.977 1.00 0.00 C ATOM 0 H ALA A 97 -4.416 1.782 12.404 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.276 -0.583 10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.157 -1.296 13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.429 -0.882 13.137 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.656 0.252 13.749 1.00 0.00 H new ATOM 1379 N VAL A 98 -7.023 1.301 10.102 1.00 0.00 N ATOM 1380 CA VAL A 98 -8.291 1.866 9.673 1.00 0.00 C ATOM 1381 C VAL A 98 -9.330 0.748 9.559 1.00 0.00 C ATOM 1382 O VAL A 98 -9.009 -0.361 9.136 1.00 0.00 O ATOM 1383 CB VAL A 98 -8.103 2.642 8.368 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -6.890 3.570 8.452 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -7.985 1.691 7.176 1.00 0.00 C ATOM 0 H VAL A 98 -6.267 1.385 9.422 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.660 2.579 10.410 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.988 3.260 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.779 4.110 7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.032 4.282 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.993 2.980 8.640 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.852 2.269 6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.127 1.034 7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.892 1.091 7.098 1.00 0.00 H new ATOM 1395 N PRO A 99 -10.586 1.089 9.954 1.00 0.00 N ATOM 1396 CA PRO A 99 -11.674 0.127 9.901 1.00 0.00 C ATOM 1397 C PRO A 99 -12.147 -0.086 8.462 1.00 0.00 C ATOM 1398 O PRO A 99 -11.683 0.591 7.545 1.00 0.00 O ATOM 1399 CB PRO A 99 -12.753 0.704 10.802 1.00 0.00 C ATOM 1400 CG PRO A 99 -12.423 2.179 10.956 1.00 0.00 C ATOM 1401 CD PRO A 99 -11.002 2.393 10.461 1.00 0.00 C ATOM 0 HA PRO A 99 -11.377 -0.864 10.243 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -13.742 0.569 10.363 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -12.763 0.203 11.770 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -13.122 2.788 10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -12.514 2.484 11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -10.965 3.152 9.679 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -10.349 2.732 11.265 1.00 0.00 H new ATOM 1409 N PRO A 100 -13.088 -1.055 8.304 1.00 0.00 N ATOM 1410 CA PRO A 100 -13.630 -1.366 6.992 1.00 0.00 C ATOM 1411 C PRO A 100 -14.613 -0.287 6.535 1.00 0.00 C ATOM 1412 O PRO A 100 -15.295 0.325 7.356 1.00 0.00 O ATOM 1413 CB PRO A 100 -14.277 -2.732 7.147 1.00 0.00 C ATOM 1414 CG PRO A 100 -14.482 -2.929 8.640 1.00 0.00 C ATOM 1415 CD PRO A 100 -13.661 -1.877 9.366 1.00 0.00 C ATOM 0 HA PRO A 100 -12.865 -1.388 6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -15.226 -2.777 6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -13.641 -3.515 6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -15.537 -2.834 8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.171 -3.930 8.939 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.283 -1.282 10.035 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.882 -2.334 9.976 1.00 0.00 H new ATOM 1423 N PRO A 101 -14.657 -0.080 5.191 1.00 0.00 N ATOM 1424 CA PRO A 101 -15.546 0.914 4.615 1.00 0.00 C ATOM 1425 C PRO A 101 -16.995 0.424 4.621 1.00 0.00 C ATOM 1426 O PRO A 101 -17.324 -0.543 5.307 1.00 0.00 O ATOM 1427 CB PRO A 101 -15.008 1.159 3.214 1.00 0.00 C ATOM 1428 CG PRO A 101 -14.127 -0.037 2.892 1.00 0.00 C ATOM 1429 CD PRO A 101 -13.864 -0.786 4.188 1.00 0.00 C ATOM 0 HA PRO A 101 -15.566 1.841 5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.821 1.251 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.438 2.087 3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.617 -0.688 2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.189 0.290 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.164 -1.831 4.109 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.804 -0.777 4.443 1.00 0.00 H new ATOM 1437 N ARG A 102 -17.823 1.113 3.850 1.00 0.00 N ATOM 1438 CA ARG A 102 -19.229 0.760 3.759 1.00 0.00 C ATOM 1439 C ARG A 102 -19.490 -0.055 2.490 1.00 0.00 C ATOM 1440 O ARG A 102 -20.387 -0.897 2.463 1.00 0.00 O ATOM 1441 CB ARG A 102 -20.111 2.010 3.744 1.00 0.00 C ATOM 1442 CG ARG A 102 -21.377 1.799 4.578 1.00 0.00 C ATOM 1443 CD ARG A 102 -22.522 1.270 3.712 1.00 0.00 C ATOM 1444 NE ARG A 102 -23.450 2.371 3.373 1.00 0.00 N ATOM 1445 CZ ARG A 102 -24.474 2.257 2.501 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -24.710 1.086 1.871 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -25.242 3.306 2.273 1.00 0.00 N ATOM 0 H ARG A 102 -17.547 1.914 3.282 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.479 0.164 4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -19.551 2.859 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -20.384 2.254 2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -21.172 1.096 5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -21.672 2.740 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -22.124 0.825 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -23.057 0.483 4.243 1.00 0.00 H new ATOM 0 HE ARG A 102 -23.307 3.273 3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -24.112 0.280 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -25.486 1.008 1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -25.058 4.187 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -26.020 3.236 1.617 1.00 0.00 H new ATOM 1460 N PHE A 103 -18.691 0.224 1.471 1.00 0.00 N ATOM 1461 CA PHE A 103 -18.825 -0.473 0.203 1.00 0.00 C ATOM 1462 C PHE A 103 -19.140 -1.954 0.422 1.00 0.00 C ATOM 1463 O PHE A 103 -18.919 -2.486 1.509 1.00 0.00 O ATOM 1464 CB PHE A 103 -17.481 -0.351 -0.518 1.00 0.00 C ATOM 1465 CG PHE A 103 -16.899 1.064 -0.514 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -17.537 2.063 -1.180 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -15.743 1.322 0.155 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -16.997 3.377 -1.176 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -15.203 2.635 0.159 1.00 0.00 C ATOM 1470 CZ PHE A 103 -15.841 3.635 -0.507 1.00 0.00 C ATOM 0 H PHE A 103 -17.949 0.923 1.497 1.00 0.00 H new ATOM 0 HA PHE A 103 -19.639 -0.038 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -16.766 -1.028 -0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -17.603 -0.680 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -18.454 1.858 -1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -15.236 0.528 0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -17.504 4.171 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -14.286 2.840 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 103 -15.430 4.634 -0.505 1.00 0.00 H new ATOM 1480 N HIS A 104 -19.651 -2.579 -0.628 1.00 0.00 N ATOM 1481 CA HIS A 104 -19.999 -3.988 -0.565 1.00 0.00 C ATOM 1482 C HIS A 104 -18.730 -4.822 -0.377 1.00 0.00 C ATOM 1483 O HIS A 104 -17.682 -4.497 -0.932 1.00 0.00 O ATOM 1484 CB HIS A 104 -20.806 -4.405 -1.796 1.00 0.00 C ATOM 1485 CG HIS A 104 -21.655 -3.300 -2.377 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -22.980 -3.108 -2.023 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -21.356 -2.331 -3.288 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -23.446 -2.068 -2.698 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -22.439 -1.588 -3.482 1.00 0.00 N ATOM 0 H HIS A 104 -19.833 -2.135 -1.528 1.00 0.00 H new ATOM 0 HA HIS A 104 -20.642 -4.169 0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -20.120 -4.764 -2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -21.451 -5.242 -1.529 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.400 -2.191 -3.770 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -24.448 -1.670 -2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -22.507 -0.790 -4.113 1.00 0.00 H new ATOM 1497 N ASP A 105 -18.867 -5.881 0.408 1.00 0.00 N ATOM 1498 CA ASP A 105 -17.745 -6.764 0.676 1.00 0.00 C ATOM 1499 C ASP A 105 -17.433 -7.581 -0.580 1.00 0.00 C ATOM 1500 O ASP A 105 -16.313 -8.060 -0.751 1.00 0.00 O ATOM 1501 CB ASP A 105 -18.070 -7.741 1.807 1.00 0.00 C ATOM 1502 CG ASP A 105 -17.287 -9.055 1.772 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -17.620 -9.977 1.012 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -16.283 -9.113 2.579 1.00 0.00 O ATOM 0 H ASP A 105 -19.738 -6.147 0.867 1.00 0.00 H new ATOM 0 HA ASP A 105 -16.894 -6.148 0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -17.879 -7.247 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -19.135 -7.969 1.775 1.00 0.00 H new TER 1510 ASP A 105