USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 843 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 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 96 GLN : amide:sc= -4.14! C(o=-4.1!,f=-7.3!) USER MOD Set 2.1: A 64 GLN : amide:sc= -0.0681 X(o=-0.16,f=-0.028) USER MOD Set 2.2: A 67 GLN : amide:sc= -0.0964 K(o=-0.16,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0527 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0302 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.161 K(o=0.16,f=-2.5) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 150:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 28 CYS SG : rot 127:sc= -1.72 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0399) USER MOD Single : A 48 CYS SG : rot 85:sc= 0.00756 USER MOD Single : A 49 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-6.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HE2:sc= 0.0486 F(o=-0.86,f=0.049) USER MOD Single : A 56 ASN :FLIP amide:sc=-0.00669 F(o=-0.87,f=-0.0067) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 67:sc= 0.0152 USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= -1.65! (180deg=-1.78!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -63:sc= -0.339 USER MOD Single : A 75 ASN : amide:sc= -3! C(o=-3!,f=-4.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 57:sc= 0.0595 USER MOD Single : A 84 HIS : no HD1:sc= -0.393 K(o=-0.39,f=-1.3) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl -136:sc= -0.192 (180deg=-1.31) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= 0.942 K(o=0.94,f=-2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 50:sc= -0.209 USER MOD Single : A 110 SER OG : rot 25:sc= 0.382 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.266 -35.448 -37.694 1.00 0.00 N ATOM 2 CA GLY A 1 15.410 -34.715 -36.780 1.00 0.00 C ATOM 3 C GLY A 1 15.895 -33.300 -36.539 1.00 0.00 C ATOM 4 O GLY A 1 17.088 -33.018 -36.649 1.00 0.00 O ATOM 0 H1 GLY A 1 16.497 -36.376 -37.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.772 -35.583 -38.599 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.143 -34.912 -37.854 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.397 -34.685 -37.181 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.361 -35.246 -35.829 1.00 0.00 H new ATOM 8 N SER A 2 14.968 -32.406 -36.210 1.00 0.00 N ATOM 9 CA SER A 2 15.307 -31.010 -35.959 1.00 0.00 C ATOM 10 C SER A 2 14.098 -30.244 -35.432 1.00 0.00 C ATOM 11 O SER A 2 12.967 -30.727 -35.495 1.00 0.00 O ATOM 12 CB SER A 2 15.826 -30.351 -37.238 1.00 0.00 C ATOM 13 OG SER A 2 14.910 -30.517 -38.306 1.00 0.00 O ATOM 0 H SER A 2 13.976 -32.624 -36.111 1.00 0.00 H new ATOM 0 HA SER A 2 16.091 -30.982 -35.202 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.994 -29.289 -37.061 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.788 -30.785 -37.510 1.00 0.00 H new ATOM 0 HG SER A 2 15.265 -30.085 -39.111 1.00 0.00 H new ATOM 19 N SER A 3 14.345 -29.045 -34.913 1.00 0.00 N ATOM 20 CA SER A 3 13.277 -28.212 -34.372 1.00 0.00 C ATOM 21 C SER A 3 13.381 -26.785 -34.902 1.00 0.00 C ATOM 22 O SER A 3 14.477 -26.256 -35.085 1.00 0.00 O ATOM 23 CB SER A 3 13.332 -28.206 -32.843 1.00 0.00 C ATOM 24 OG SER A 3 14.517 -27.584 -32.377 1.00 0.00 O ATOM 0 H SER A 3 15.275 -28.629 -34.856 1.00 0.00 H new ATOM 0 HA SER A 3 12.323 -28.632 -34.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.462 -27.681 -32.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.284 -29.229 -32.470 1.00 0.00 H new ATOM 0 HG SER A 3 14.527 -27.592 -31.397 1.00 0.00 H new ATOM 30 N GLY A 4 12.230 -26.166 -35.146 1.00 0.00 N ATOM 31 CA GLY A 4 12.212 -24.806 -35.652 1.00 0.00 C ATOM 32 C GLY A 4 12.443 -23.778 -34.562 1.00 0.00 C ATOM 33 O GLY A 4 13.506 -23.750 -33.941 1.00 0.00 O ATOM 0 H GLY A 4 11.310 -26.582 -35.002 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.979 -24.697 -36.418 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.252 -24.613 -36.132 1.00 0.00 H new ATOM 37 N SER A 5 11.447 -22.930 -34.329 1.00 0.00 N ATOM 38 CA SER A 5 11.549 -21.892 -33.310 1.00 0.00 C ATOM 39 C SER A 5 10.219 -21.165 -33.140 1.00 0.00 C ATOM 40 O SER A 5 9.389 -21.144 -34.049 1.00 0.00 O ATOM 41 CB SER A 5 12.647 -20.892 -33.679 1.00 0.00 C ATOM 42 OG SER A 5 12.841 -19.943 -32.644 1.00 0.00 O ATOM 0 H SER A 5 10.560 -22.941 -34.832 1.00 0.00 H new ATOM 0 HA SER A 5 11.805 -22.369 -32.364 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.579 -21.424 -33.868 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.380 -20.378 -34.603 1.00 0.00 H new ATOM 0 HG SER A 5 13.549 -19.316 -32.903 1.00 0.00 H new ATOM 48 N SER A 6 10.023 -20.569 -31.967 1.00 0.00 N ATOM 49 CA SER A 6 8.792 -19.844 -31.675 1.00 0.00 C ATOM 50 C SER A 6 8.826 -18.447 -32.289 1.00 0.00 C ATOM 51 O SER A 6 9.894 -17.868 -32.484 1.00 0.00 O ATOM 52 CB SER A 6 8.582 -19.744 -30.163 1.00 0.00 C ATOM 53 OG SER A 6 7.579 -18.793 -29.849 1.00 0.00 O ATOM 0 H SER A 6 10.701 -20.574 -31.205 1.00 0.00 H new ATOM 0 HA SER A 6 7.961 -20.395 -32.115 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.300 -20.719 -29.767 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.518 -19.463 -29.681 1.00 0.00 H new ATOM 0 HG SER A 6 7.463 -18.749 -28.877 1.00 0.00 H new ATOM 59 N GLY A 7 7.647 -17.912 -32.591 1.00 0.00 N ATOM 60 CA GLY A 7 7.562 -16.588 -33.179 1.00 0.00 C ATOM 61 C GLY A 7 7.646 -15.486 -32.142 1.00 0.00 C ATOM 62 O GLY A 7 8.649 -15.360 -31.440 1.00 0.00 O ATOM 0 H GLY A 7 6.749 -18.372 -32.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.367 -16.463 -33.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.624 -16.497 -33.726 1.00 0.00 H new ATOM 66 N MET A 8 6.590 -14.685 -32.046 1.00 0.00 N ATOM 67 CA MET A 8 6.549 -13.587 -31.086 1.00 0.00 C ATOM 68 C MET A 8 6.157 -14.091 -29.701 1.00 0.00 C ATOM 69 O MET A 8 5.530 -15.141 -29.566 1.00 0.00 O ATOM 70 CB MET A 8 5.562 -12.514 -31.549 1.00 0.00 C ATOM 71 CG MET A 8 5.930 -11.112 -31.092 1.00 0.00 C ATOM 72 SD MET A 8 7.051 -10.280 -32.234 1.00 0.00 S ATOM 73 CE MET A 8 6.155 -8.760 -32.541 1.00 0.00 C ATOM 0 H MET A 8 5.752 -14.775 -32.620 1.00 0.00 H new ATOM 0 HA MET A 8 7.546 -13.152 -31.026 1.00 0.00 H new ATOM 0 HB2 MET A 8 5.505 -12.529 -32.637 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.568 -12.760 -31.175 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.022 -10.519 -30.984 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.395 -11.165 -30.107 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.722 -8.136 -33.232 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.183 -8.992 -32.976 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.014 -8.225 -31.602 1.00 0.00 H new ATOM 83 N ASP A 9 6.532 -13.335 -28.674 1.00 0.00 N ATOM 84 CA ASP A 9 6.219 -13.704 -27.299 1.00 0.00 C ATOM 85 C ASP A 9 6.364 -12.505 -26.367 1.00 0.00 C ATOM 86 O ASP A 9 6.977 -11.500 -26.725 1.00 0.00 O ATOM 87 CB ASP A 9 7.131 -14.841 -26.833 1.00 0.00 C ATOM 88 CG ASP A 9 6.777 -15.336 -25.445 1.00 0.00 C ATOM 89 OD1 ASP A 9 5.742 -16.021 -25.305 1.00 0.00 O ATOM 90 OD2 ASP A 9 7.535 -15.039 -24.498 1.00 0.00 O ATOM 0 H ASP A 9 7.053 -12.463 -28.769 1.00 0.00 H new ATOM 0 HA ASP A 9 5.183 -14.043 -27.267 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.064 -15.669 -27.539 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.166 -14.499 -26.840 1.00 0.00 H new ATOM 95 N ALA A 10 5.795 -12.618 -25.172 1.00 0.00 N ATOM 96 CA ALA A 10 5.862 -11.544 -24.189 1.00 0.00 C ATOM 97 C ALA A 10 5.284 -10.249 -24.750 1.00 0.00 C ATOM 98 O ALA A 10 5.783 -9.160 -24.464 1.00 0.00 O ATOM 99 CB ALA A 10 7.299 -11.330 -23.738 1.00 0.00 C ATOM 0 H ALA A 10 5.282 -13.443 -24.861 1.00 0.00 H new ATOM 0 HA ALA A 10 5.262 -11.836 -23.327 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.334 -10.525 -23.004 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.680 -12.247 -23.289 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.914 -11.064 -24.598 1.00 0.00 H new ATOM 105 N ILE A 11 4.231 -10.375 -25.551 1.00 0.00 N ATOM 106 CA ILE A 11 3.585 -9.215 -26.152 1.00 0.00 C ATOM 107 C ILE A 11 2.672 -8.515 -25.151 1.00 0.00 C ATOM 108 O ILE A 11 1.650 -9.064 -24.737 1.00 0.00 O ATOM 109 CB ILE A 11 2.763 -9.608 -27.393 1.00 0.00 C ATOM 110 CG1 ILE A 11 3.640 -10.363 -28.394 1.00 0.00 C ATOM 111 CG2 ILE A 11 2.155 -8.372 -28.039 1.00 0.00 C ATOM 112 CD1 ILE A 11 2.857 -11.261 -29.326 1.00 0.00 C ATOM 0 H ILE A 11 3.807 -11.269 -25.799 1.00 0.00 H new ATOM 0 HA ILE A 11 4.379 -8.533 -26.455 1.00 0.00 H new ATOM 0 HB ILE A 11 1.952 -10.266 -27.080 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.205 -9.643 -28.986 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.366 -10.965 -27.847 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.577 -8.666 -28.915 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.501 -7.872 -27.324 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.950 -7.691 -28.341 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.543 -11.764 -30.008 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.313 -12.005 -28.743 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.150 -10.662 -29.900 1.00 0.00 H new ATOM 124 N LEU A 12 3.045 -7.299 -24.768 1.00 0.00 N ATOM 125 CA LEU A 12 2.258 -6.521 -23.817 1.00 0.00 C ATOM 126 C LEU A 12 2.261 -5.042 -24.190 1.00 0.00 C ATOM 127 O LEU A 12 3.318 -4.432 -24.342 1.00 0.00 O ATOM 128 CB LEU A 12 2.808 -6.703 -22.401 1.00 0.00 C ATOM 129 CG LEU A 12 2.387 -7.982 -21.677 1.00 0.00 C ATOM 130 CD1 LEU A 12 3.257 -8.212 -20.451 1.00 0.00 C ATOM 131 CD2 LEU A 12 0.918 -7.915 -21.286 1.00 0.00 C ATOM 0 H LEU A 12 3.887 -6.830 -25.101 1.00 0.00 H new ATOM 0 HA LEU A 12 1.230 -6.883 -23.850 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.897 -6.678 -22.450 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.496 -5.849 -21.799 1.00 0.00 H new ATOM 0 HG LEU A 12 2.523 -8.823 -22.357 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.943 -9.127 -19.948 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.299 -8.305 -20.757 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.154 -7.369 -19.768 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.636 -8.834 -20.772 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.756 -7.064 -20.624 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.308 -7.799 -22.182 1.00 0.00 H new ATOM 143 N ASN A 13 1.069 -4.471 -24.332 1.00 0.00 N ATOM 144 CA ASN A 13 0.934 -3.062 -24.685 1.00 0.00 C ATOM 145 C ASN A 13 0.063 -2.328 -23.670 1.00 0.00 C ATOM 146 O ASN A 13 -1.018 -1.841 -24.001 1.00 0.00 O ATOM 147 CB ASN A 13 0.333 -2.921 -26.085 1.00 0.00 C ATOM 148 CG ASN A 13 -0.774 -3.924 -26.343 1.00 0.00 C ATOM 149 OD1 ASN A 13 -1.492 -4.323 -25.426 1.00 0.00 O ATOM 150 ND2 ASN A 13 -0.918 -4.338 -27.597 1.00 0.00 N ATOM 0 H ASN A 13 0.183 -4.962 -24.208 1.00 0.00 H new ATOM 0 HA ASN A 13 1.928 -2.614 -24.676 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.059 -1.912 -26.209 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.118 -3.052 -26.829 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.646 -5.013 -27.831 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.300 -3.981 -28.326 1.00 0.00 H new ATOM 157 N TYR A 14 0.542 -2.253 -22.433 1.00 0.00 N ATOM 158 CA TYR A 14 -0.193 -1.580 -21.368 1.00 0.00 C ATOM 159 C TYR A 14 0.319 -0.157 -21.168 1.00 0.00 C ATOM 160 O TYR A 14 -0.090 0.536 -20.237 1.00 0.00 O ATOM 161 CB TYR A 14 -0.073 -2.366 -20.062 1.00 0.00 C ATOM 162 CG TYR A 14 1.350 -2.726 -19.700 1.00 0.00 C ATOM 163 CD1 TYR A 14 2.314 -1.739 -19.528 1.00 0.00 C ATOM 164 CD2 TYR A 14 1.731 -4.051 -19.530 1.00 0.00 C ATOM 165 CE1 TYR A 14 3.616 -2.063 -19.198 1.00 0.00 C ATOM 166 CE2 TYR A 14 3.031 -4.383 -19.199 1.00 0.00 C ATOM 167 CZ TYR A 14 3.969 -3.386 -19.034 1.00 0.00 C ATOM 168 OH TYR A 14 5.265 -3.714 -18.705 1.00 0.00 O ATOM 0 H TYR A 14 1.436 -2.650 -22.143 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.242 -1.531 -21.660 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.507 -1.778 -19.253 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.661 -3.280 -20.143 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.041 -0.702 -19.654 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.999 -4.835 -19.659 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.353 -1.284 -19.069 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.311 -5.418 -19.070 1.00 0.00 H new ATOM 0 HH TYR A 14 5.346 -4.687 -18.626 1.00 0.00 H new ATOM 178 N ARG A 15 1.217 0.271 -22.049 1.00 0.00 N ATOM 179 CA ARG A 15 1.786 1.611 -21.970 1.00 0.00 C ATOM 180 C ARG A 15 0.896 2.623 -22.686 1.00 0.00 C ATOM 181 O ARG A 15 1.210 3.069 -23.790 1.00 0.00 O ATOM 182 CB ARG A 15 3.189 1.629 -22.580 1.00 0.00 C ATOM 183 CG ARG A 15 4.113 2.660 -21.952 1.00 0.00 C ATOM 184 CD ARG A 15 3.979 4.014 -22.631 1.00 0.00 C ATOM 185 NE ARG A 15 2.884 4.801 -22.070 1.00 0.00 N ATOM 186 CZ ARG A 15 2.792 6.121 -22.189 1.00 0.00 C ATOM 187 NH1 ARG A 15 3.724 6.798 -22.845 1.00 0.00 N ATOM 188 NH2 ARG A 15 1.765 6.767 -21.651 1.00 0.00 N ATOM 0 H ARG A 15 1.566 -0.291 -22.826 1.00 0.00 H new ATOM 0 HA ARG A 15 1.850 1.890 -20.918 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.635 0.640 -22.473 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.109 1.828 -23.649 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.882 2.759 -20.891 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.145 2.317 -22.023 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.913 4.566 -22.526 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.812 3.869 -23.698 1.00 0.00 H new ATOM 0 HE ARG A 15 2.150 4.311 -21.559 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.515 6.306 -23.260 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.650 7.811 -22.935 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.045 6.250 -21.146 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.695 7.780 -21.743 1.00 0.00 H new ATOM 202 N SER A 16 -0.215 2.981 -22.050 1.00 0.00 N ATOM 203 CA SER A 16 -1.152 3.937 -22.627 1.00 0.00 C ATOM 204 C SER A 16 -1.218 5.208 -21.787 1.00 0.00 C ATOM 205 O SER A 16 -0.740 6.264 -22.201 1.00 0.00 O ATOM 206 CB SER A 16 -2.545 3.313 -22.740 1.00 0.00 C ATOM 207 OG SER A 16 -3.278 3.893 -23.805 1.00 0.00 O ATOM 0 H SER A 16 -0.488 2.623 -21.135 1.00 0.00 H new ATOM 0 HA SER A 16 -0.797 4.200 -23.624 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.454 2.239 -22.900 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.086 3.451 -21.804 1.00 0.00 H new ATOM 0 HG SER A 16 -4.164 3.476 -23.858 1.00 0.00 H new ATOM 213 N GLU A 17 -1.815 5.098 -20.604 1.00 0.00 N ATOM 214 CA GLU A 17 -1.945 6.239 -19.705 1.00 0.00 C ATOM 215 C GLU A 17 -1.561 5.855 -18.279 1.00 0.00 C ATOM 216 O GLU A 17 -1.382 4.677 -17.969 1.00 0.00 O ATOM 217 CB GLU A 17 -3.376 6.778 -19.732 1.00 0.00 C ATOM 218 CG GLU A 17 -3.628 7.781 -20.846 1.00 0.00 C ATOM 219 CD GLU A 17 -5.105 8.038 -21.076 1.00 0.00 C ATOM 220 OE1 GLU A 17 -5.906 7.097 -20.895 1.00 0.00 O ATOM 221 OE2 GLU A 17 -5.459 9.180 -21.436 1.00 0.00 O ATOM 0 H GLU A 17 -2.216 4.231 -20.246 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.265 7.018 -20.049 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.068 5.943 -19.843 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.596 7.249 -18.774 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.133 8.721 -20.602 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.179 7.414 -21.769 1.00 0.00 H new ATOM 228 N ASP A 18 -1.436 6.857 -17.416 1.00 0.00 N ATOM 229 CA ASP A 18 -1.075 6.625 -16.022 1.00 0.00 C ATOM 230 C ASP A 18 -2.280 6.821 -15.108 1.00 0.00 C ATOM 231 O ASP A 18 -2.925 7.870 -15.128 1.00 0.00 O ATOM 232 CB ASP A 18 0.057 7.565 -15.603 1.00 0.00 C ATOM 233 CG ASP A 18 0.584 7.255 -14.217 1.00 0.00 C ATOM 234 OD1 ASP A 18 0.974 6.093 -13.977 1.00 0.00 O ATOM 235 OD2 ASP A 18 0.607 8.173 -13.370 1.00 0.00 O ATOM 0 H ASP A 18 -1.579 7.838 -17.657 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.735 5.594 -15.928 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.872 7.491 -16.323 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.301 8.594 -15.631 1.00 0.00 H new ATOM 240 N THR A 19 -2.581 5.803 -14.307 1.00 0.00 N ATOM 241 CA THR A 19 -3.710 5.862 -13.387 1.00 0.00 C ATOM 242 C THR A 19 -3.290 5.470 -11.975 1.00 0.00 C ATOM 243 O THR A 19 -2.484 4.559 -11.788 1.00 0.00 O ATOM 244 CB THR A 19 -4.855 4.940 -13.845 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.210 5.234 -15.200 1.00 0.00 O ATOM 246 CG2 THR A 19 -6.074 5.105 -12.949 1.00 0.00 C ATOM 0 H THR A 19 -2.058 4.928 -14.277 1.00 0.00 H new ATOM 0 HA THR A 19 -4.063 6.893 -13.384 1.00 0.00 H new ATOM 0 HB THR A 19 -4.510 3.908 -13.777 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.938 4.642 -15.483 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.870 4.444 -13.292 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.808 4.851 -11.923 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.418 6.138 -12.990 1.00 0.00 H new ATOM 254 N GLU A 20 -3.841 6.164 -10.985 1.00 0.00 N ATOM 255 CA GLU A 20 -3.522 5.887 -9.589 1.00 0.00 C ATOM 256 C GLU A 20 -4.756 5.399 -8.835 1.00 0.00 C ATOM 257 O GLU A 20 -5.581 6.197 -8.390 1.00 0.00 O ATOM 258 CB GLU A 20 -2.961 7.140 -8.913 1.00 0.00 C ATOM 259 CG GLU A 20 -3.591 8.432 -9.406 1.00 0.00 C ATOM 260 CD GLU A 20 -3.495 9.552 -8.388 1.00 0.00 C ATOM 261 OE1 GLU A 20 -4.393 9.647 -7.525 1.00 0.00 O ATOM 262 OE2 GLU A 20 -2.524 10.334 -8.455 1.00 0.00 O ATOM 0 H GLU A 20 -4.510 6.922 -11.123 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.768 5.100 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.112 7.060 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.885 7.183 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.101 8.742 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.639 8.253 -9.646 1.00 0.00 H new ATOM 269 N ASP A 21 -4.876 4.083 -8.698 1.00 0.00 N ATOM 270 CA ASP A 21 -6.008 3.487 -7.998 1.00 0.00 C ATOM 271 C ASP A 21 -5.539 2.417 -7.018 1.00 0.00 C ATOM 272 O ASP A 21 -4.584 1.688 -7.289 1.00 0.00 O ATOM 273 CB ASP A 21 -6.993 2.883 -9.000 1.00 0.00 C ATOM 274 CG ASP A 21 -7.985 3.903 -9.524 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.559 4.649 -8.703 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.187 3.955 -10.755 1.00 0.00 O ATOM 0 H ASP A 21 -4.203 3.409 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.511 4.273 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.440 2.456 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.534 2.065 -8.525 1.00 0.00 H new ATOM 281 N TYR A 22 -6.216 2.328 -5.878 1.00 0.00 N ATOM 282 CA TYR A 22 -5.866 1.350 -4.856 1.00 0.00 C ATOM 283 C TYR A 22 -5.897 -0.066 -5.424 1.00 0.00 C ATOM 284 O TYR A 22 -4.985 -0.860 -5.192 1.00 0.00 O ATOM 285 CB TYR A 22 -6.825 1.456 -3.669 1.00 0.00 C ATOM 286 CG TYR A 22 -6.493 2.587 -2.722 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.407 3.897 -3.176 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.267 2.345 -1.372 1.00 0.00 C ATOM 289 CE1 TYR A 22 -6.103 4.933 -2.314 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.965 3.376 -0.503 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.883 4.668 -0.979 1.00 0.00 C ATOM 292 OH TYR A 22 -5.582 5.697 -0.117 1.00 0.00 O ATOM 0 H TYR A 22 -7.010 2.922 -5.639 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.853 1.564 -4.516 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.840 1.593 -4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.813 0.516 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.581 4.109 -4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.328 1.334 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.038 5.946 -2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.794 3.171 0.544 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.458 5.340 0.787 1.00 0.00 H new ATOM 302 N TYR A 23 -6.952 -0.374 -6.169 1.00 0.00 N ATOM 303 CA TYR A 23 -7.105 -1.694 -6.770 1.00 0.00 C ATOM 304 C TYR A 23 -5.938 -2.007 -7.702 1.00 0.00 C ATOM 305 O TYR A 23 -5.585 -3.168 -7.908 1.00 0.00 O ATOM 306 CB TYR A 23 -8.424 -1.778 -7.540 1.00 0.00 C ATOM 307 CG TYR A 23 -9.625 -2.032 -6.657 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.849 -3.284 -6.099 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.537 -1.020 -6.383 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.945 -3.522 -5.293 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.635 -1.248 -5.576 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.835 -2.500 -5.034 1.00 0.00 C ATOM 313 OH TYR A 23 -12.929 -2.731 -4.231 1.00 0.00 O ATOM 0 H TYR A 23 -7.715 0.272 -6.372 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.113 -2.431 -5.967 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.576 -0.847 -8.087 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.353 -2.575 -8.280 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.154 -4.086 -6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.385 -0.039 -6.808 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.104 -4.502 -4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.333 -0.450 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.172 -1.905 -3.763 1.00 0.00 H new ATOM 323 N THR A 24 -5.341 -0.960 -8.264 1.00 0.00 N ATOM 324 CA THR A 24 -4.215 -1.120 -9.174 1.00 0.00 C ATOM 325 C THR A 24 -2.955 -1.536 -8.423 1.00 0.00 C ATOM 326 O THR A 24 -2.220 -2.420 -8.864 1.00 0.00 O ATOM 327 CB THR A 24 -3.930 0.179 -9.950 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.099 0.585 -10.672 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.771 -0.010 -10.917 1.00 0.00 C ATOM 0 H THR A 24 -5.620 0.008 -8.104 1.00 0.00 H new ATOM 0 HA THR A 24 -4.490 -1.904 -9.880 1.00 0.00 H new ATOM 0 HB THR A 24 -3.660 0.953 -9.231 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.910 1.413 -11.161 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.589 0.921 -11.453 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.876 -0.290 -10.362 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.017 -0.797 -11.630 1.00 0.00 H new ATOM 337 N LEU A 25 -2.712 -0.895 -7.285 1.00 0.00 N ATOM 338 CA LEU A 25 -1.541 -1.199 -6.471 1.00 0.00 C ATOM 339 C LEU A 25 -1.361 -2.706 -6.316 1.00 0.00 C ATOM 340 O LEU A 25 -0.279 -3.241 -6.559 1.00 0.00 O ATOM 341 CB LEU A 25 -1.668 -0.545 -5.094 1.00 0.00 C ATOM 342 CG LEU A 25 -2.084 0.927 -5.086 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.061 1.480 -3.669 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.175 1.742 -5.994 1.00 0.00 C ATOM 0 H LEU A 25 -3.310 -0.161 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.664 -0.797 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.395 -1.110 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.710 -0.634 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.103 1.000 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.360 2.528 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.753 0.914 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.054 1.395 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.485 2.787 -5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.146 1.663 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.242 1.361 -7.013 1.00 0.00 H new ATOM 356 N LEU A 26 -2.429 -3.385 -5.912 1.00 0.00 N ATOM 357 CA LEU A 26 -2.391 -4.831 -5.727 1.00 0.00 C ATOM 358 C LEU A 26 -2.959 -5.551 -6.946 1.00 0.00 C ATOM 359 O LEU A 26 -3.162 -6.764 -6.924 1.00 0.00 O ATOM 360 CB LEU A 26 -3.177 -5.226 -4.475 1.00 0.00 C ATOM 361 CG LEU A 26 -2.929 -4.373 -3.231 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.773 -4.869 -2.067 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.453 -4.382 -2.863 1.00 0.00 C ATOM 0 H LEU A 26 -3.332 -2.957 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.350 -5.129 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.240 -5.188 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.941 -6.262 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.221 -3.347 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.583 -4.250 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.829 -4.809 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.513 -5.904 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.296 -3.770 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.135 -5.405 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.869 -3.978 -3.690 1.00 0.00 H new ATOM 375 N GLY A 27 -3.210 -4.795 -8.010 1.00 0.00 N ATOM 376 CA GLY A 27 -3.750 -5.378 -9.224 1.00 0.00 C ATOM 377 C GLY A 27 -4.855 -6.378 -8.946 1.00 0.00 C ATOM 378 O GLY A 27 -4.882 -7.462 -9.531 1.00 0.00 O ATOM 0 H GLY A 27 -3.049 -3.789 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.135 -4.584 -9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.948 -5.871 -9.774 1.00 0.00 H new ATOM 382 N CYS A 28 -5.766 -6.016 -8.050 1.00 0.00 N ATOM 383 CA CYS A 28 -6.877 -6.890 -7.693 1.00 0.00 C ATOM 384 C CYS A 28 -8.215 -6.213 -7.974 1.00 0.00 C ATOM 385 O CYS A 28 -8.259 -5.069 -8.426 1.00 0.00 O ATOM 386 CB CYS A 28 -6.791 -7.283 -6.217 1.00 0.00 C ATOM 387 SG CYS A 28 -7.530 -6.079 -5.089 1.00 0.00 S ATOM 0 H CYS A 28 -5.757 -5.123 -7.557 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.810 -7.789 -8.306 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.284 -8.245 -6.079 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.743 -7.421 -5.949 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.389 -6.677 -4.318 1.00 0.00 H new ATOM 393 N ASP A 29 -9.302 -6.927 -7.705 1.00 0.00 N ATOM 394 CA ASP A 29 -10.641 -6.396 -7.929 1.00 0.00 C ATOM 395 C ASP A 29 -11.612 -6.901 -6.866 1.00 0.00 C ATOM 396 O ASP A 29 -11.325 -7.868 -6.161 1.00 0.00 O ATOM 397 CB ASP A 29 -11.141 -6.785 -9.321 1.00 0.00 C ATOM 398 CG ASP A 29 -10.288 -6.198 -10.428 1.00 0.00 C ATOM 399 OD1 ASP A 29 -9.059 -6.423 -10.414 1.00 0.00 O ATOM 400 OD2 ASP A 29 -10.849 -5.514 -11.309 1.00 0.00 O ATOM 0 H ASP A 29 -9.282 -7.876 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.590 -5.309 -7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.150 -7.871 -9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.170 -6.447 -9.442 1.00 0.00 H new ATOM 405 N GLU A 30 -12.760 -6.240 -6.758 1.00 0.00 N ATOM 406 CA GLU A 30 -13.771 -6.623 -5.779 1.00 0.00 C ATOM 407 C GLU A 30 -13.997 -8.132 -5.792 1.00 0.00 C ATOM 408 O GLU A 30 -14.240 -8.743 -4.750 1.00 0.00 O ATOM 409 CB GLU A 30 -15.088 -5.897 -6.064 1.00 0.00 C ATOM 410 CG GLU A 30 -15.686 -6.230 -7.420 1.00 0.00 C ATOM 411 CD GLU A 30 -16.701 -5.200 -7.879 1.00 0.00 C ATOM 412 OE1 GLU A 30 -16.282 -4.121 -8.347 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.914 -5.475 -7.770 1.00 0.00 O ATOM 0 H GLU A 30 -13.013 -5.438 -7.335 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.411 -6.335 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.809 -6.151 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.920 -4.822 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.887 -6.301 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.163 -7.209 -7.372 1.00 0.00 H new ATOM 420 N LEU A 31 -13.915 -8.726 -6.977 1.00 0.00 N ATOM 421 CA LEU A 31 -14.110 -10.164 -7.126 1.00 0.00 C ATOM 422 C LEU A 31 -13.057 -10.942 -6.343 1.00 0.00 C ATOM 423 O LEU A 31 -13.334 -12.013 -5.805 1.00 0.00 O ATOM 424 CB LEU A 31 -14.056 -10.556 -8.604 1.00 0.00 C ATOM 425 CG LEU A 31 -15.271 -10.165 -9.447 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.964 -10.318 -10.928 1.00 0.00 C ATOM 427 CD2 LEU A 31 -16.480 -11.005 -9.061 1.00 0.00 C ATOM 0 H LEU A 31 -13.715 -8.235 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.092 -10.415 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.170 -10.102 -9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.927 -11.636 -8.668 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.504 -9.118 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.840 -10.035 -11.512 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.127 -9.673 -11.194 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.705 -11.355 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.335 -10.713 -9.671 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.259 -12.059 -9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.713 -10.845 -8.008 1.00 0.00 H new ATOM 439 N SER A 32 -11.848 -10.393 -6.283 1.00 0.00 N ATOM 440 CA SER A 32 -10.751 -11.035 -5.568 1.00 0.00 C ATOM 441 C SER A 32 -10.989 -10.995 -4.061 1.00 0.00 C ATOM 442 O SER A 32 -11.431 -9.983 -3.518 1.00 0.00 O ATOM 443 CB SER A 32 -9.425 -10.353 -5.905 1.00 0.00 C ATOM 444 OG SER A 32 -9.019 -10.653 -7.229 1.00 0.00 O ATOM 0 H SER A 32 -11.603 -9.505 -6.721 1.00 0.00 H new ATOM 0 HA SER A 32 -10.704 -12.077 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.527 -9.274 -5.788 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.657 -10.678 -5.203 1.00 0.00 H new ATOM 0 HG SER A 32 -8.169 -10.204 -7.420 1.00 0.00 H new ATOM 450 N SER A 33 -10.691 -12.104 -3.392 1.00 0.00 N ATOM 451 CA SER A 33 -10.875 -12.198 -1.948 1.00 0.00 C ATOM 452 C SER A 33 -9.609 -11.775 -1.210 1.00 0.00 C ATOM 453 O SER A 33 -8.517 -11.770 -1.779 1.00 0.00 O ATOM 454 CB SER A 33 -11.256 -13.627 -1.553 1.00 0.00 C ATOM 455 OG SER A 33 -12.548 -13.960 -2.028 1.00 0.00 O ATOM 0 H SER A 33 -10.321 -12.950 -3.826 1.00 0.00 H new ATOM 0 HA SER A 33 -11.682 -11.523 -1.665 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.525 -14.327 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.227 -13.728 -0.468 1.00 0.00 H new ATOM 0 HG SER A 33 -12.767 -14.878 -1.764 1.00 0.00 H new ATOM 461 N VAL A 34 -9.763 -11.419 0.061 1.00 0.00 N ATOM 462 CA VAL A 34 -8.633 -10.994 0.879 1.00 0.00 C ATOM 463 C VAL A 34 -7.489 -11.999 0.800 1.00 0.00 C ATOM 464 O VAL A 34 -6.321 -11.635 0.929 1.00 0.00 O ATOM 465 CB VAL A 34 -9.043 -10.814 2.353 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.689 -12.084 2.886 1.00 0.00 C ATOM 467 CG2 VAL A 34 -7.839 -10.424 3.196 1.00 0.00 C ATOM 0 H VAL A 34 -10.660 -11.416 0.547 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.299 -10.035 0.483 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.776 -10.009 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.972 -11.938 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.577 -12.315 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.981 -12.910 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.146 -10.301 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.082 -11.205 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.425 -9.486 2.827 1.00 0.00 H new ATOM 477 N GLU A 35 -7.835 -13.265 0.586 1.00 0.00 N ATOM 478 CA GLU A 35 -6.836 -14.323 0.490 1.00 0.00 C ATOM 479 C GLU A 35 -5.971 -14.143 -0.754 1.00 0.00 C ATOM 480 O GLU A 35 -4.744 -14.212 -0.685 1.00 0.00 O ATOM 481 CB GLU A 35 -7.514 -15.694 0.460 1.00 0.00 C ATOM 482 CG GLU A 35 -8.176 -16.075 1.774 1.00 0.00 C ATOM 483 CD GLU A 35 -7.170 -16.370 2.870 1.00 0.00 C ATOM 484 OE1 GLU A 35 -6.725 -17.533 2.968 1.00 0.00 O ATOM 485 OE2 GLU A 35 -6.828 -15.439 3.629 1.00 0.00 O ATOM 0 H GLU A 35 -8.798 -13.582 0.476 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.194 -14.263 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.264 -15.702 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.773 -16.451 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.830 -15.265 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.806 -16.951 1.619 1.00 0.00 H new ATOM 492 N GLN A 36 -6.621 -13.914 -1.891 1.00 0.00 N ATOM 493 CA GLN A 36 -5.912 -13.727 -3.151 1.00 0.00 C ATOM 494 C GLN A 36 -5.133 -12.415 -3.147 1.00 0.00 C ATOM 495 O GLN A 36 -3.956 -12.381 -3.509 1.00 0.00 O ATOM 496 CB GLN A 36 -6.896 -13.745 -4.322 1.00 0.00 C ATOM 497 CG GLN A 36 -7.457 -15.126 -4.623 1.00 0.00 C ATOM 498 CD GLN A 36 -8.396 -15.127 -5.813 1.00 0.00 C ATOM 499 OE1 GLN A 36 -7.987 -15.402 -6.941 1.00 0.00 O ATOM 500 NE2 GLN A 36 -9.664 -14.819 -5.567 1.00 0.00 N ATOM 0 H GLN A 36 -7.637 -13.854 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.205 -14.549 -3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.721 -13.066 -4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.396 -13.363 -5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.634 -15.815 -4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.987 -15.498 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.960 -14.598 -4.616 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.342 -14.804 -6.329 1.00 0.00 H new ATOM 509 N ILE A 37 -5.796 -11.340 -2.736 1.00 0.00 N ATOM 510 CA ILE A 37 -5.165 -10.027 -2.685 1.00 0.00 C ATOM 511 C ILE A 37 -3.847 -10.080 -1.920 1.00 0.00 C ATOM 512 O ILE A 37 -2.858 -9.466 -2.321 1.00 0.00 O ATOM 513 CB ILE A 37 -6.087 -8.985 -2.026 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.401 -8.870 -2.801 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.391 -7.634 -1.950 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.530 -8.272 -1.993 1.00 0.00 C ATOM 0 H ILE A 37 -6.770 -11.352 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.972 -9.729 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.313 -9.313 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.237 -8.259 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.697 -9.861 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.056 -6.908 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.480 -7.727 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.138 -7.298 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.429 -8.221 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.721 -8.895 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.254 -7.268 -1.670 1.00 0.00 H new ATOM 528 N LEU A 38 -3.840 -10.820 -0.816 1.00 0.00 N ATOM 529 CA LEU A 38 -2.642 -10.956 0.005 1.00 0.00 C ATOM 530 C LEU A 38 -1.475 -11.491 -0.818 1.00 0.00 C ATOM 531 O LEU A 38 -0.347 -11.012 -0.698 1.00 0.00 O ATOM 532 CB LEU A 38 -2.915 -11.886 1.189 1.00 0.00 C ATOM 533 CG LEU A 38 -3.673 -11.270 2.366 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.105 -12.349 3.346 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.816 -10.225 3.064 1.00 0.00 C ATOM 0 H LEU A 38 -4.650 -11.334 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.374 -9.968 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.481 -12.745 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.961 -12.264 1.555 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.567 -10.779 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.643 -11.892 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.757 -13.061 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.225 -12.869 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.371 -9.797 3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.904 -10.692 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.558 -9.436 2.358 1.00 0.00 H new ATOM 547 N ALA A 39 -1.754 -12.484 -1.655 1.00 0.00 N ATOM 548 CA ALA A 39 -0.728 -13.081 -2.501 1.00 0.00 C ATOM 549 C ALA A 39 -0.041 -12.024 -3.359 1.00 0.00 C ATOM 550 O ALA A 39 1.159 -11.788 -3.225 1.00 0.00 O ATOM 551 CB ALA A 39 -1.334 -14.165 -3.380 1.00 0.00 C ATOM 0 H ALA A 39 -2.682 -12.892 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 39 0.025 -13.532 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.557 -14.602 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.772 -14.940 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.108 -13.730 -4.013 1.00 0.00 H new ATOM 557 N GLU A 40 -0.810 -11.393 -4.241 1.00 0.00 N ATOM 558 CA GLU A 40 -0.273 -10.362 -5.121 1.00 0.00 C ATOM 559 C GLU A 40 0.511 -9.322 -4.327 1.00 0.00 C ATOM 560 O GLU A 40 1.541 -8.824 -4.782 1.00 0.00 O ATOM 561 CB GLU A 40 -1.404 -9.682 -5.896 1.00 0.00 C ATOM 562 CG GLU A 40 -2.075 -10.588 -6.915 1.00 0.00 C ATOM 563 CD GLU A 40 -3.410 -10.046 -7.387 1.00 0.00 C ATOM 564 OE1 GLU A 40 -4.014 -9.233 -6.656 1.00 0.00 O ATOM 565 OE2 GLU A 40 -3.851 -10.435 -8.489 1.00 0.00 O ATOM 0 H GLU A 40 -1.805 -11.578 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 40 0.405 -10.841 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.154 -9.326 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.006 -8.806 -6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.415 -10.715 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.222 -11.575 -6.477 1.00 0.00 H new ATOM 572 N PHE A 41 0.017 -8.998 -3.137 1.00 0.00 N ATOM 573 CA PHE A 41 0.670 -8.016 -2.279 1.00 0.00 C ATOM 574 C PHE A 41 2.038 -8.515 -1.825 1.00 0.00 C ATOM 575 O PHE A 41 3.045 -7.821 -1.970 1.00 0.00 O ATOM 576 CB PHE A 41 -0.204 -7.711 -1.060 1.00 0.00 C ATOM 577 CG PHE A 41 0.561 -7.133 0.096 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.900 -5.790 0.117 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.940 -7.933 1.162 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.604 -5.255 1.180 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.643 -7.404 2.227 1.00 0.00 C ATOM 582 CZ PHE A 41 1.976 -6.063 2.236 1.00 0.00 C ATOM 0 H PHE A 41 -0.834 -9.401 -2.744 1.00 0.00 H new ATOM 0 HA PHE A 41 0.809 -7.102 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.989 -7.013 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.696 -8.628 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.611 -5.154 -0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.683 -8.982 1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.863 -4.206 1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.932 -8.038 3.052 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.526 -5.648 3.067 1.00 0.00 H new ATOM 592 N LYS A 42 2.068 -9.725 -1.275 1.00 0.00 N ATOM 593 CA LYS A 42 3.312 -10.319 -0.800 1.00 0.00 C ATOM 594 C LYS A 42 4.382 -10.283 -1.887 1.00 0.00 C ATOM 595 O LYS A 42 5.487 -9.788 -1.667 1.00 0.00 O ATOM 596 CB LYS A 42 3.072 -11.763 -0.352 1.00 0.00 C ATOM 597 CG LYS A 42 2.232 -11.877 0.908 1.00 0.00 C ATOM 598 CD LYS A 42 1.424 -13.164 0.924 1.00 0.00 C ATOM 599 CE LYS A 42 2.206 -14.306 1.555 1.00 0.00 C ATOM 600 NZ LYS A 42 3.087 -14.987 0.567 1.00 0.00 N ATOM 0 H LYS A 42 1.244 -10.313 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 42 3.664 -9.735 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.579 -12.307 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.034 -12.247 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.881 -11.842 1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.559 -11.023 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.498 -13.007 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.145 -13.432 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.811 -13.922 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.511 -15.030 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.947 -16.016 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.849 -14.662 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.081 -14.760 0.773 1.00 0.00 H new ATOM 614 N VAL A 43 4.045 -10.811 -3.060 1.00 0.00 N ATOM 615 CA VAL A 43 4.977 -10.837 -4.181 1.00 0.00 C ATOM 616 C VAL A 43 5.283 -9.427 -4.674 1.00 0.00 C ATOM 617 O VAL A 43 6.445 -9.032 -4.775 1.00 0.00 O ATOM 618 CB VAL A 43 4.421 -11.668 -5.353 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.329 -13.137 -4.969 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.064 -11.136 -5.787 1.00 0.00 C ATOM 0 H VAL A 43 3.135 -11.226 -3.258 1.00 0.00 H new ATOM 0 HA VAL A 43 5.895 -11.300 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 43 5.106 -11.579 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.934 -13.709 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.321 -13.509 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.666 -13.248 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.686 -11.735 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.367 -11.193 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.165 -10.099 -6.106 1.00 0.00 H new ATOM 630 N ARG A 44 4.233 -8.671 -4.979 1.00 0.00 N ATOM 631 CA ARG A 44 4.390 -7.304 -5.462 1.00 0.00 C ATOM 632 C ARG A 44 5.368 -6.527 -4.585 1.00 0.00 C ATOM 633 O ARG A 44 6.260 -5.845 -5.088 1.00 0.00 O ATOM 634 CB ARG A 44 3.037 -6.592 -5.490 1.00 0.00 C ATOM 635 CG ARG A 44 2.180 -6.960 -6.690 1.00 0.00 C ATOM 636 CD ARG A 44 0.759 -6.437 -6.541 1.00 0.00 C ATOM 637 NE ARG A 44 0.046 -6.420 -7.816 1.00 0.00 N ATOM 638 CZ ARG A 44 0.312 -5.563 -8.795 1.00 0.00 C ATOM 639 NH1 ARG A 44 1.269 -4.658 -8.647 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.381 -5.610 -9.926 1.00 0.00 N ATOM 0 H ARG A 44 3.265 -8.982 -4.900 1.00 0.00 H new ATOM 0 HA ARG A 44 4.791 -7.347 -6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.491 -6.831 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.203 -5.515 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.626 -6.551 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.160 -8.044 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.216 -7.060 -5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.785 -5.429 -6.127 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.697 -7.104 -7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.804 -4.618 -7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.471 -4.001 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.119 -6.305 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.176 -4.951 -10.677 1.00 0.00 H new ATOM 654 N ALA A 45 5.193 -6.635 -3.272 1.00 0.00 N ATOM 655 CA ALA A 45 6.060 -5.944 -2.326 1.00 0.00 C ATOM 656 C ALA A 45 7.441 -6.590 -2.274 1.00 0.00 C ATOM 657 O ALA A 45 8.438 -5.926 -1.990 1.00 0.00 O ATOM 658 CB ALA A 45 5.428 -5.932 -0.942 1.00 0.00 C ATOM 0 H ALA A 45 4.458 -7.195 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 45 6.181 -4.916 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.087 -5.413 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.468 -5.418 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.276 -6.957 -0.602 1.00 0.00 H new ATOM 664 N LEU A 46 7.491 -7.889 -2.548 1.00 0.00 N ATOM 665 CA LEU A 46 8.750 -8.626 -2.531 1.00 0.00 C ATOM 666 C LEU A 46 9.646 -8.201 -3.691 1.00 0.00 C ATOM 667 O LEU A 46 10.746 -7.690 -3.483 1.00 0.00 O ATOM 668 CB LEU A 46 8.484 -10.131 -2.603 1.00 0.00 C ATOM 669 CG LEU A 46 8.256 -10.837 -1.266 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.710 -12.238 -1.489 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.547 -10.886 -0.462 1.00 0.00 C ATOM 0 H LEU A 46 6.675 -8.453 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 46 9.263 -8.398 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.609 -10.295 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.329 -10.606 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 46 7.519 -10.269 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.554 -12.725 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.762 -12.178 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.422 -12.817 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.366 -11.392 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.306 -11.430 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.895 -9.871 -0.271 1.00 0.00 H new ATOM 683 N GLU A 47 9.165 -8.412 -4.912 1.00 0.00 N ATOM 684 CA GLU A 47 9.922 -8.049 -6.104 1.00 0.00 C ATOM 685 C GLU A 47 10.267 -6.563 -6.097 1.00 0.00 C ATOM 686 O GLU A 47 11.190 -6.126 -6.785 1.00 0.00 O ATOM 687 CB GLU A 47 9.127 -8.394 -7.365 1.00 0.00 C ATOM 688 CG GLU A 47 7.653 -8.033 -7.273 1.00 0.00 C ATOM 689 CD GLU A 47 7.053 -7.684 -8.621 1.00 0.00 C ATOM 690 OE1 GLU A 47 7.191 -8.494 -9.561 1.00 0.00 O ATOM 691 OE2 GLU A 47 6.445 -6.599 -8.735 1.00 0.00 O ATOM 0 H GLU A 47 8.255 -8.832 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 47 10.851 -8.620 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.567 -7.874 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.219 -9.462 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.104 -8.870 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.531 -7.188 -6.595 1.00 0.00 H new ATOM 698 N CYS A 48 9.518 -5.791 -5.317 1.00 0.00 N ATOM 699 CA CYS A 48 9.743 -4.353 -5.221 1.00 0.00 C ATOM 700 C CYS A 48 10.039 -3.944 -3.782 1.00 0.00 C ATOM 701 O CYS A 48 9.599 -2.889 -3.322 1.00 0.00 O ATOM 702 CB CYS A 48 8.524 -3.590 -5.741 1.00 0.00 C ATOM 703 SG CYS A 48 8.291 -3.703 -7.531 1.00 0.00 S ATOM 0 H CYS A 48 8.750 -6.137 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 48 10.608 -4.103 -5.835 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.631 -3.971 -5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.620 -2.540 -5.463 1.00 0.00 H new ATOM 0 HG CYS A 48 7.640 -4.792 -7.816 1.00 0.00 H new ATOM 709 N HIS A 49 10.785 -4.786 -3.074 1.00 0.00 N ATOM 710 CA HIS A 49 11.138 -4.512 -1.685 1.00 0.00 C ATOM 711 C HIS A 49 12.307 -3.535 -1.605 1.00 0.00 C ATOM 712 O HIS A 49 13.254 -3.596 -2.389 1.00 0.00 O ATOM 713 CB HIS A 49 11.494 -5.811 -0.962 1.00 0.00 C ATOM 714 CG HIS A 49 11.176 -5.788 0.502 1.00 0.00 C ATOM 715 ND1 HIS A 49 12.144 -5.727 1.481 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.988 -5.817 1.150 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.566 -5.720 2.669 1.00 0.00 C ATOM 718 NE2 HIS A 49 10.258 -5.774 2.496 1.00 0.00 N ATOM 0 H HIS A 49 11.157 -5.663 -3.439 1.00 0.00 H new ATOM 0 HA HIS A 49 10.274 -4.059 -1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.957 -6.636 -1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.558 -6.009 -1.091 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.010 -5.865 0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.076 -5.677 3.620 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.561 -5.782 3.241 1.00 0.00 H new ATOM 726 N PRO A 50 12.241 -2.610 -0.635 1.00 0.00 N ATOM 727 CA PRO A 50 13.285 -1.602 -0.430 1.00 0.00 C ATOM 728 C PRO A 50 14.579 -2.208 0.102 1.00 0.00 C ATOM 729 O PRO A 50 15.673 -1.788 -0.274 1.00 0.00 O ATOM 730 CB PRO A 50 12.669 -0.661 0.608 1.00 0.00 C ATOM 731 CG PRO A 50 11.680 -1.499 1.341 1.00 0.00 C ATOM 732 CD PRO A 50 11.141 -2.478 0.335 1.00 0.00 C ATOM 0 HA PRO A 50 13.564 -1.108 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.428 -0.264 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.188 0.193 0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.151 -2.017 2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.880 -0.886 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.895 -3.434 0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.231 -2.109 -0.137 1.00 0.00 H new ATOM 740 N ASP A 51 14.447 -3.198 0.978 1.00 0.00 N ATOM 741 CA ASP A 51 15.607 -3.864 1.560 1.00 0.00 C ATOM 742 C ASP A 51 16.501 -4.449 0.472 1.00 0.00 C ATOM 743 O ASP A 51 17.721 -4.294 0.506 1.00 0.00 O ATOM 744 CB ASP A 51 15.159 -4.968 2.519 1.00 0.00 C ATOM 745 CG ASP A 51 16.313 -5.837 2.980 1.00 0.00 C ATOM 746 OD1 ASP A 51 17.012 -5.438 3.936 1.00 0.00 O ATOM 747 OD2 ASP A 51 16.517 -6.916 2.386 1.00 0.00 O ATOM 0 H ASP A 51 13.549 -3.557 1.301 1.00 0.00 H new ATOM 0 HA ASP A 51 16.181 -3.122 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.677 -4.518 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.412 -5.591 2.027 1.00 0.00 H new ATOM 752 N LYS A 52 15.885 -5.125 -0.492 1.00 0.00 N ATOM 753 CA LYS A 52 16.623 -5.734 -1.592 1.00 0.00 C ATOM 754 C LYS A 52 17.377 -4.678 -2.393 1.00 0.00 C ATOM 755 O LYS A 52 18.545 -4.861 -2.737 1.00 0.00 O ATOM 756 CB LYS A 52 15.670 -6.502 -2.510 1.00 0.00 C ATOM 757 CG LYS A 52 14.850 -7.559 -1.790 1.00 0.00 C ATOM 758 CD LYS A 52 15.555 -8.905 -1.786 1.00 0.00 C ATOM 759 CE LYS A 52 16.441 -9.067 -0.561 1.00 0.00 C ATOM 760 NZ LYS A 52 17.037 -10.430 -0.484 1.00 0.00 N ATOM 0 H LYS A 52 14.875 -5.265 -0.534 1.00 0.00 H new ATOM 0 HA LYS A 52 17.348 -6.429 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.994 -5.795 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.248 -6.979 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.665 -7.241 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.878 -7.658 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.815 -9.705 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.159 -9.003 -2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.237 -8.323 -0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.856 -8.875 0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.634 -10.500 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.277 -11.139 -0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.616 -10.604 -1.330 1.00 0.00 H new ATOM 774 N HIS A 53 16.701 -3.571 -2.687 1.00 0.00 N ATOM 775 CA HIS A 53 17.308 -2.484 -3.446 1.00 0.00 C ATOM 776 C HIS A 53 17.511 -1.254 -2.567 1.00 0.00 C ATOM 777 O HIS A 53 16.712 -0.318 -2.572 1.00 0.00 O ATOM 778 CB HIS A 53 16.437 -2.125 -4.650 1.00 0.00 C ATOM 779 CG HIS A 53 15.932 -3.319 -5.401 1.00 0.00 C ATOM 780 ND1 HIS A 53 14.922 -4.177 -5.124 1.00 0.00 N flip ATOM 781 CD2 HIS A 53 16.482 -3.749 -6.590 1.00 0.00 C flip ATOM 782 CE1 HIS A 53 14.880 -5.099 -6.141 1.00 0.00 C flip ATOM 783 NE2 HIS A 53 15.832 -4.818 -7.013 1.00 0.00 N flip ATOM 0 H HIS A 53 15.733 -3.404 -2.411 1.00 0.00 H new ATOM 0 HA HIS A 53 18.282 -2.822 -3.799 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.587 -1.534 -4.310 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.012 -1.495 -5.329 1.00 0.00 H new ATOM 0 HD1 HIS A 53 14.307 -4.145 -4.311 1.00 0.00 H new ATOM 0 HD2 HIS A 53 17.315 -3.284 -7.097 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.182 -5.920 -6.216 1.00 0.00 H new ATOM 791 N PRO A 54 18.606 -1.254 -1.792 1.00 0.00 N ATOM 792 CA PRO A 54 18.940 -0.146 -0.892 1.00 0.00 C ATOM 793 C PRO A 54 19.357 1.110 -1.649 1.00 0.00 C ATOM 794 O PRO A 54 19.557 1.076 -2.863 1.00 0.00 O ATOM 795 CB PRO A 54 20.113 -0.693 -0.075 1.00 0.00 C ATOM 796 CG PRO A 54 20.732 -1.729 -0.949 1.00 0.00 C ATOM 797 CD PRO A 54 19.603 -2.336 -1.734 1.00 0.00 C ATOM 0 HA PRO A 54 18.087 0.158 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.825 0.094 0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.773 -1.122 0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 54 21.475 -1.287 -1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 54 21.245 -2.485 -0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.924 -2.640 -2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.204 -3.224 -1.243 1.00 0.00 H new ATOM 805 N GLU A 55 19.486 2.217 -0.924 1.00 0.00 N ATOM 806 CA GLU A 55 19.880 3.484 -1.530 1.00 0.00 C ATOM 807 C GLU A 55 18.893 3.896 -2.619 1.00 0.00 C ATOM 808 O GLU A 55 19.248 4.615 -3.552 1.00 0.00 O ATOM 809 CB GLU A 55 21.289 3.379 -2.116 1.00 0.00 C ATOM 810 CG GLU A 55 22.390 3.651 -1.106 1.00 0.00 C ATOM 811 CD GLU A 55 22.547 2.530 -0.097 1.00 0.00 C ATOM 812 OE1 GLU A 55 21.558 2.217 0.599 1.00 0.00 O ATOM 813 OE2 GLU A 55 23.657 1.965 -0.004 1.00 0.00 O ATOM 0 H GLU A 55 19.324 2.262 0.082 1.00 0.00 H new ATOM 0 HA GLU A 55 19.875 4.247 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.427 2.381 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.383 4.084 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.333 3.795 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.173 4.581 -0.580 1.00 0.00 H new ATOM 820 N ASN A 56 17.653 3.434 -2.492 1.00 0.00 N ATOM 821 CA ASN A 56 16.615 3.753 -3.465 1.00 0.00 C ATOM 822 C ASN A 56 15.270 3.963 -2.777 1.00 0.00 C ATOM 823 O ASN A 56 14.609 3.017 -2.348 1.00 0.00 O ATOM 824 CB ASN A 56 16.500 2.635 -4.504 1.00 0.00 C ATOM 825 CG ASN A 56 15.670 3.045 -5.705 1.00 0.00 C ATOM 826 OD1 ASN A 56 14.499 2.435 -5.850 1.00 0.00 O flip ATOM 827 ND2 ASN A 56 16.076 3.900 -6.492 1.00 0.00 N flip ATOM 0 H ASN A 56 17.343 2.838 -1.725 1.00 0.00 H new ATOM 0 HA ASN A 56 16.895 4.679 -3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 56 17.498 2.348 -4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 56 16.053 1.756 -4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.983 4.343 -6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.506 4.166 -7.295 1.00 0.00 H new ATOM 834 N PRO A 57 14.853 5.233 -2.668 1.00 0.00 N ATOM 835 CA PRO A 57 13.583 5.598 -2.034 1.00 0.00 C ATOM 836 C PRO A 57 12.377 5.170 -2.863 1.00 0.00 C ATOM 837 O PRO A 57 11.377 4.695 -2.325 1.00 0.00 O ATOM 838 CB PRO A 57 13.656 7.124 -1.945 1.00 0.00 C ATOM 839 CG PRO A 57 14.584 7.523 -3.040 1.00 0.00 C ATOM 840 CD PRO A 57 15.589 6.411 -3.157 1.00 0.00 C ATOM 0 HA PRO A 57 13.454 5.107 -1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.673 7.576 -2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.029 7.447 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.045 7.662 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.074 8.469 -2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.923 6.278 -4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.477 6.607 -2.557 1.00 0.00 H new ATOM 848 N LYS A 58 12.478 5.341 -4.177 1.00 0.00 N ATOM 849 CA LYS A 58 11.396 4.971 -5.082 1.00 0.00 C ATOM 850 C LYS A 58 10.758 3.652 -4.657 1.00 0.00 C ATOM 851 O LYS A 58 9.536 3.508 -4.680 1.00 0.00 O ATOM 852 CB LYS A 58 11.920 4.857 -6.516 1.00 0.00 C ATOM 853 CG LYS A 58 12.353 6.184 -7.112 1.00 0.00 C ATOM 854 CD LYS A 58 12.188 6.198 -8.623 1.00 0.00 C ATOM 855 CE LYS A 58 12.317 7.605 -9.185 1.00 0.00 C ATOM 856 NZ LYS A 58 11.969 7.658 -10.632 1.00 0.00 N ATOM 0 H LYS A 58 13.298 5.734 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 58 10.637 5.752 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.765 4.168 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.143 4.422 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.765 6.990 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.395 6.375 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.940 5.553 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.214 5.787 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.665 8.279 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.338 7.960 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.069 8.634 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.607 7.034 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.987 7.343 -10.765 1.00 0.00 H new ATOM 870 N ALA A 59 11.592 2.694 -4.268 1.00 0.00 N ATOM 871 CA ALA A 59 11.108 1.389 -3.834 1.00 0.00 C ATOM 872 C ALA A 59 10.204 1.518 -2.613 1.00 0.00 C ATOM 873 O ALA A 59 9.055 1.075 -2.629 1.00 0.00 O ATOM 874 CB ALA A 59 12.279 0.466 -3.531 1.00 0.00 C ATOM 0 H ALA A 59 12.607 2.797 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 59 10.521 0.958 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.903 -0.505 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.885 0.340 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.889 0.900 -2.739 1.00 0.00 H new ATOM 880 N VAL A 60 10.730 2.125 -1.554 1.00 0.00 N ATOM 881 CA VAL A 60 9.969 2.312 -0.324 1.00 0.00 C ATOM 882 C VAL A 60 8.566 2.829 -0.619 1.00 0.00 C ATOM 883 O VAL A 60 7.597 2.425 0.024 1.00 0.00 O ATOM 884 CB VAL A 60 10.677 3.293 0.630 1.00 0.00 C ATOM 885 CG1 VAL A 60 9.886 3.448 1.920 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.096 2.826 0.917 1.00 0.00 C ATOM 0 H VAL A 60 11.680 2.496 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 60 9.899 1.336 0.157 1.00 0.00 H new ATOM 0 HB VAL A 60 10.731 4.268 0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.401 4.144 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.891 3.832 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.798 2.479 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.581 3.531 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.068 1.840 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.657 2.772 -0.016 1.00 0.00 H new ATOM 896 N GLU A 61 8.464 3.726 -1.595 1.00 0.00 N ATOM 897 CA GLU A 61 7.178 4.299 -1.974 1.00 0.00 C ATOM 898 C GLU A 61 6.252 3.228 -2.543 1.00 0.00 C ATOM 899 O GLU A 61 5.054 3.210 -2.257 1.00 0.00 O ATOM 900 CB GLU A 61 7.376 5.416 -3.002 1.00 0.00 C ATOM 901 CG GLU A 61 7.563 6.789 -2.379 1.00 0.00 C ATOM 902 CD GLU A 61 6.274 7.354 -1.814 1.00 0.00 C ATOM 903 OE1 GLU A 61 5.413 6.556 -1.389 1.00 0.00 O ATOM 904 OE2 GLU A 61 6.127 8.594 -1.796 1.00 0.00 O ATOM 0 H GLU A 61 9.256 4.071 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 61 6.716 4.716 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.246 5.183 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.514 5.443 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.306 6.725 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.957 7.474 -3.130 1.00 0.00 H new ATOM 911 N THR A 62 6.815 2.335 -3.351 1.00 0.00 N ATOM 912 CA THR A 62 6.041 1.262 -3.962 1.00 0.00 C ATOM 913 C THR A 62 5.593 0.245 -2.919 1.00 0.00 C ATOM 914 O THR A 62 4.599 -0.457 -3.108 1.00 0.00 O ATOM 915 CB THR A 62 6.850 0.537 -5.054 1.00 0.00 C ATOM 916 OG1 THR A 62 7.294 1.476 -6.040 1.00 0.00 O ATOM 917 CG2 THR A 62 6.013 -0.546 -5.719 1.00 0.00 C ATOM 0 H THR A 62 7.805 2.334 -3.597 1.00 0.00 H new ATOM 0 HA THR A 62 5.164 1.724 -4.416 1.00 0.00 H new ATOM 0 HB THR A 62 7.714 0.069 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.944 2.090 -5.638 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.606 -1.044 -6.486 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.701 -1.275 -4.971 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.132 -0.096 -6.176 1.00 0.00 H new ATOM 925 N PHE A 63 6.331 0.170 -1.816 1.00 0.00 N ATOM 926 CA PHE A 63 6.010 -0.762 -0.742 1.00 0.00 C ATOM 927 C PHE A 63 5.035 -0.134 0.250 1.00 0.00 C ATOM 928 O PHE A 63 4.192 -0.820 0.827 1.00 0.00 O ATOM 929 CB PHE A 63 7.284 -1.197 -0.016 1.00 0.00 C ATOM 930 CG PHE A 63 7.036 -2.165 1.104 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.476 -3.408 0.852 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.361 -1.833 2.410 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.246 -4.302 1.881 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.133 -2.723 3.442 1.00 0.00 C ATOM 935 CZ PHE A 63 6.575 -3.959 3.178 1.00 0.00 C ATOM 0 H PHE A 63 7.156 0.744 -1.643 1.00 0.00 H new ATOM 0 HA PHE A 63 5.537 -1.638 -1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.964 -1.653 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.785 -0.314 0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.216 -3.681 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.797 -0.868 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.810 -5.267 1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.391 -2.452 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.396 -4.655 3.984 1.00 0.00 H new ATOM 945 N GLN A 64 5.158 1.176 0.442 1.00 0.00 N ATOM 946 CA GLN A 64 4.290 1.897 1.365 1.00 0.00 C ATOM 947 C GLN A 64 2.859 1.947 0.839 1.00 0.00 C ATOM 948 O GLN A 64 1.901 1.942 1.612 1.00 0.00 O ATOM 949 CB GLN A 64 4.814 3.316 1.588 1.00 0.00 C ATOM 950 CG GLN A 64 6.089 3.371 2.413 1.00 0.00 C ATOM 951 CD GLN A 64 5.818 3.486 3.900 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.516 4.568 4.406 1.00 0.00 O ATOM 953 NE2 GLN A 64 5.925 2.369 4.610 1.00 0.00 N ATOM 0 H GLN A 64 5.850 1.759 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 64 4.290 1.364 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.997 3.783 0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.043 3.905 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.679 2.474 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.690 4.221 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.178 1.494 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.755 2.386 5.616 1.00 0.00 H new ATOM 962 N LYS A 65 2.721 1.996 -0.482 1.00 0.00 N ATOM 963 CA LYS A 65 1.407 2.046 -1.113 1.00 0.00 C ATOM 964 C LYS A 65 0.783 0.656 -1.181 1.00 0.00 C ATOM 965 O LYS A 65 -0.438 0.509 -1.113 1.00 0.00 O ATOM 966 CB LYS A 65 1.517 2.637 -2.520 1.00 0.00 C ATOM 967 CG LYS A 65 1.809 1.603 -3.593 1.00 0.00 C ATOM 968 CD LYS A 65 2.339 2.250 -4.862 1.00 0.00 C ATOM 969 CE LYS A 65 2.803 1.207 -5.867 1.00 0.00 C ATOM 970 NZ LYS A 65 1.657 0.559 -6.563 1.00 0.00 N ATOM 0 H LYS A 65 3.503 2.002 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 65 0.764 2.684 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.586 3.148 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.306 3.389 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.538 0.884 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.900 1.046 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.560 2.867 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.168 2.913 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.456 1.677 -6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.394 0.447 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.011 -0.192 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.011 0.147 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.147 1.269 -7.127 1.00 0.00 H new ATOM 984 N LEU A 66 1.627 -0.361 -1.314 1.00 0.00 N ATOM 985 CA LEU A 66 1.158 -1.740 -1.390 1.00 0.00 C ATOM 986 C LEU A 66 0.547 -2.181 -0.063 1.00 0.00 C ATOM 987 O LEU A 66 -0.487 -2.847 -0.037 1.00 0.00 O ATOM 988 CB LEU A 66 2.310 -2.671 -1.769 1.00 0.00 C ATOM 989 CG LEU A 66 2.619 -2.784 -3.262 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.932 -3.519 -3.482 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.483 -3.488 -3.990 1.00 0.00 C ATOM 0 H LEU A 66 2.640 -0.257 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 66 0.388 -1.794 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.210 -2.330 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.085 -3.667 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 66 2.717 -1.778 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.135 -3.590 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.740 -2.974 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.863 -4.521 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.720 -3.560 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.353 -4.489 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.561 -2.920 -3.862 1.00 0.00 H new ATOM 1003 N GLN A 67 1.194 -1.803 1.034 1.00 0.00 N ATOM 1004 CA GLN A 67 0.714 -2.159 2.364 1.00 0.00 C ATOM 1005 C GLN A 67 -0.618 -1.478 2.662 1.00 0.00 C ATOM 1006 O GLN A 67 -1.443 -2.003 3.411 1.00 0.00 O ATOM 1007 CB GLN A 67 1.747 -1.771 3.424 1.00 0.00 C ATOM 1008 CG GLN A 67 2.094 -0.291 3.421 1.00 0.00 C ATOM 1009 CD GLN A 67 2.725 0.162 4.723 1.00 0.00 C ATOM 1010 OE1 GLN A 67 2.913 -0.633 5.645 1.00 0.00 O ATOM 1011 NE2 GLN A 67 3.054 1.446 4.807 1.00 0.00 N ATOM 0 H GLN A 67 2.051 -1.251 1.029 1.00 0.00 H new ATOM 0 HA GLN A 67 0.564 -3.238 2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.366 -2.045 4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.657 -2.349 3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.778 -0.084 2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.190 0.290 3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.880 2.070 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.480 1.808 5.660 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.822 -0.305 2.072 1.00 0.00 N ATOM 1021 CA LYS A 68 -2.053 0.449 2.272 1.00 0.00 C ATOM 1022 C LYS A 68 -3.244 -0.281 1.659 1.00 0.00 C ATOM 1023 O LYS A 68 -4.059 -0.866 2.371 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.926 1.845 1.659 1.00 0.00 C ATOM 1025 CG LYS A 68 -1.379 2.885 2.622 1.00 0.00 C ATOM 1026 CD LYS A 68 -2.463 3.414 3.546 1.00 0.00 C ATOM 1027 CE LYS A 68 -1.893 3.829 4.894 1.00 0.00 C ATOM 1028 NZ LYS A 68 -1.429 5.244 4.888 1.00 0.00 N ATOM 0 H LYS A 68 -0.149 0.144 1.451 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.221 0.544 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.275 1.792 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.905 2.168 1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.576 2.447 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.945 3.711 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.955 4.267 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.224 2.647 3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.652 3.699 5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.061 3.175 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.048 5.488 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.686 5.363 4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.229 5.871 4.666 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.337 -0.242 0.334 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.426 -0.903 -0.375 1.00 0.00 C ATOM 1044 C ALA A 69 -4.733 -2.265 0.237 1.00 0.00 C ATOM 1045 O ALA A 69 -5.891 -2.675 0.317 1.00 0.00 O ATOM 1046 CB ALA A 69 -4.083 -1.049 -1.850 1.00 0.00 C ATOM 0 H ALA A 69 -2.672 0.240 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.318 -0.283 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.905 -1.544 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.922 -0.063 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.176 -1.645 -1.955 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.688 -2.964 0.666 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.844 -4.281 1.272 1.00 0.00 C ATOM 1054 C LYS A 70 -4.737 -4.210 2.507 1.00 0.00 C ATOM 1055 O LYS A 70 -5.765 -4.882 2.579 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.478 -4.857 1.650 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.561 -6.125 2.483 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.345 -6.284 3.380 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.605 -7.278 4.501 1.00 0.00 C ATOM 1060 NZ LYS A 70 -0.405 -7.471 5.361 1.00 0.00 N ATOM 0 H LYS A 70 -2.723 -2.640 0.605 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.317 -4.936 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.917 -5.067 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.917 -4.105 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.464 -6.102 3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.644 -6.989 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.495 -6.618 2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.076 -5.317 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.437 -6.927 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.904 -8.236 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.623 -8.156 6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.382 -7.830 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.134 -6.562 5.788 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.338 -3.390 3.474 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.103 -3.231 4.704 1.00 0.00 C ATOM 1076 C GLU A 71 -6.475 -2.628 4.418 1.00 0.00 C ATOM 1077 O GLU A 71 -7.494 -3.117 4.906 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.342 -2.347 5.694 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.745 -2.569 7.143 1.00 0.00 C ATOM 1080 CD GLU A 71 -6.062 -1.904 7.490 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -7.116 -2.553 7.328 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -6.039 -0.733 7.925 1.00 0.00 O ATOM 0 H GLU A 71 -3.489 -2.826 3.429 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.244 -4.219 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.274 -2.536 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.507 -1.301 5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.821 -3.639 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.963 -2.182 7.797 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.492 -1.563 3.623 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.738 -0.893 3.271 1.00 0.00 C ATOM 1091 C ILE A 72 -8.739 -1.874 2.671 1.00 0.00 C ATOM 1092 O ILE A 72 -9.930 -1.834 2.985 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.498 0.254 2.271 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.575 1.309 2.884 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -8.821 0.878 1.853 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.101 1.895 4.176 1.00 0.00 C ATOM 0 H ILE A 72 -5.657 -1.146 3.211 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.146 -0.480 4.194 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.014 -0.153 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.598 0.862 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.427 2.113 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.635 1.687 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.447 0.121 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.330 1.274 2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.396 2.635 4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.064 2.371 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.222 1.101 4.913 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.249 -2.756 1.806 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.101 -3.750 1.162 1.00 0.00 C ATOM 1110 C LEU A 73 -9.394 -4.910 2.108 1.00 0.00 C ATOM 1111 O LEU A 73 -10.544 -5.144 2.483 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.434 -4.272 -0.112 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.215 -3.246 -1.224 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.275 -3.799 -2.283 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.544 -2.842 -1.846 1.00 0.00 C ATOM 0 H LEU A 73 -7.267 -2.803 1.535 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.045 -3.271 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.468 -4.699 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.042 -5.085 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.756 -2.359 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.131 -3.055 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.314 -4.037 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.705 -4.702 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.369 -2.111 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.031 -3.722 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.185 -2.403 -1.081 1.00 0.00 H new ATOM 1127 N THR A 74 -8.347 -5.633 2.493 1.00 0.00 N ATOM 1128 CA THR A 74 -8.492 -6.768 3.396 1.00 0.00 C ATOM 1129 C THR A 74 -9.600 -6.522 4.414 1.00 0.00 C ATOM 1130 O THR A 74 -10.421 -7.400 4.676 1.00 0.00 O ATOM 1131 CB THR A 74 -7.178 -7.061 4.145 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.711 -5.876 4.798 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.113 -7.572 3.187 1.00 0.00 C ATOM 0 H THR A 74 -7.389 -5.452 2.193 1.00 0.00 H new ATOM 0 HA THR A 74 -8.751 -7.630 2.782 1.00 0.00 H new ATOM 0 HB THR A 74 -7.374 -7.832 4.890 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.503 -5.193 4.127 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.194 -7.772 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.460 -8.491 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.921 -6.820 2.422 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.616 -5.322 4.986 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.624 -4.961 5.976 1.00 0.00 C ATOM 1143 C ASN A 75 -11.928 -4.549 5.300 1.00 0.00 C ATOM 1144 O ASN A 75 -11.937 -3.685 4.424 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.114 -3.823 6.862 1.00 0.00 C ATOM 1146 CG ASN A 75 -10.695 -3.875 8.262 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -11.612 -4.650 8.537 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -10.164 -3.047 9.154 1.00 0.00 N ATOM 0 H ASN A 75 -8.943 -4.584 4.781 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.818 -5.836 6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.027 -3.871 6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.366 -2.867 6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.515 -3.036 10.112 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.405 -2.422 8.881 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.027 -5.172 5.714 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.336 -4.870 5.147 1.00 0.00 C ATOM 1157 C GLU A 76 -14.744 -3.433 5.459 1.00 0.00 C ATOM 1158 O GLU A 76 -15.268 -2.726 4.599 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.387 -5.840 5.690 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.527 -7.109 4.867 1.00 0.00 C ATOM 1161 CD GLU A 76 -16.424 -8.137 5.527 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -17.661 -7.979 5.453 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -15.891 -9.099 6.118 1.00 0.00 O ATOM 0 H GLU A 76 -13.037 -5.889 6.440 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.271 -4.985 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.127 -6.108 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.351 -5.333 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.929 -6.858 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.540 -7.543 4.706 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.501 -3.010 6.696 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.846 -1.658 7.121 1.00 0.00 C ATOM 1172 C GLU A 77 -14.162 -0.619 6.237 1.00 0.00 C ATOM 1173 O GLU A 77 -14.807 0.297 5.726 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.446 -1.442 8.582 1.00 0.00 C ATOM 1175 CG GLU A 77 -12.957 -1.602 8.836 1.00 0.00 C ATOM 1176 CD GLU A 77 -12.601 -1.498 10.306 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -13.077 -2.343 11.094 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -11.845 -0.573 10.670 1.00 0.00 O ATOM 0 H GLU A 77 -14.067 -3.583 7.420 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.925 -1.538 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.753 -0.442 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.991 -2.149 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.629 -2.569 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.413 -0.839 8.280 1.00 0.00 H new ATOM 1185 N SER A 78 -12.853 -0.768 6.061 1.00 0.00 N ATOM 1186 CA SER A 78 -12.081 0.159 5.243 1.00 0.00 C ATOM 1187 C SER A 78 -12.523 0.094 3.784 1.00 0.00 C ATOM 1188 O SER A 78 -12.877 1.110 3.186 1.00 0.00 O ATOM 1189 CB SER A 78 -10.588 -0.156 5.349 1.00 0.00 C ATOM 1190 OG SER A 78 -10.073 0.235 6.611 1.00 0.00 O ATOM 0 H SER A 78 -12.305 -1.522 6.474 1.00 0.00 H new ATOM 0 HA SER A 78 -12.260 1.168 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.427 -1.224 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.047 0.360 4.556 1.00 0.00 H new ATOM 0 HG SER A 78 -9.118 0.022 6.655 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.501 -1.108 3.219 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.898 -1.307 1.830 1.00 0.00 C ATOM 1198 C ARG A 79 -14.267 -0.688 1.562 1.00 0.00 C ATOM 1199 O ARG A 79 -14.421 0.136 0.662 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.926 -2.799 1.494 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.464 -3.100 0.104 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.661 -4.593 -0.105 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.465 -5.232 -0.648 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.486 -6.375 -1.325 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -13.635 -7.002 -1.540 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -11.356 -6.894 -1.788 1.00 0.00 N ATOM 0 H ARG A 79 -12.213 -1.959 3.701 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.164 -0.812 1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.916 -3.201 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.538 -3.318 2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.413 -2.583 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.774 -2.714 -0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.923 -5.061 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.499 -4.757 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.565 -4.776 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.506 -6.607 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.648 -7.879 -2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.470 -6.415 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.373 -7.772 -2.308 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.257 -1.092 2.350 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.612 -0.577 2.199 1.00 0.00 C ATOM 1222 C ALA A 80 -16.615 0.946 2.123 1.00 0.00 C ATOM 1223 O ALA A 80 -17.172 1.529 1.192 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.489 -1.051 3.349 1.00 0.00 C ATOM 0 H ALA A 80 -15.146 -1.775 3.100 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.018 -0.963 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.498 -0.659 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.522 -2.140 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.076 -0.694 4.292 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.991 1.584 3.107 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.923 3.040 3.152 1.00 0.00 C ATOM 1232 C ARG A 81 -15.311 3.596 1.870 1.00 0.00 C ATOM 1233 O ARG A 81 -15.860 4.508 1.252 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.104 3.497 4.361 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.683 3.049 5.693 1.00 0.00 C ATOM 1236 CD ARG A 81 -16.723 4.032 6.208 1.00 0.00 C ATOM 1237 NE ARG A 81 -17.729 3.378 7.041 1.00 0.00 N ATOM 1238 CZ ARG A 81 -18.925 3.898 7.293 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -19.263 5.072 6.779 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -19.786 3.242 8.061 1.00 0.00 N ATOM 0 H ARG A 81 -15.525 1.116 3.884 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.939 3.423 3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.089 3.112 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.035 4.585 4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.136 2.064 5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.881 2.950 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.229 4.814 6.784 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.212 4.518 5.364 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.501 2.473 7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.604 5.579 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.182 5.469 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.529 2.338 8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.704 3.642 8.254 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.171 3.039 1.476 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.482 3.481 0.269 1.00 0.00 C ATOM 1256 C TYR A 82 -14.397 3.381 -0.948 1.00 0.00 C ATOM 1257 O TYR A 82 -14.559 4.345 -1.697 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.220 2.646 0.042 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.507 2.967 -1.251 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -10.713 4.101 -1.368 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.626 2.135 -2.358 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.060 4.399 -2.548 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.976 2.424 -3.542 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.194 3.557 -3.632 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.545 3.848 -4.810 1.00 0.00 O ATOM 0 H TYR A 82 -13.705 2.281 1.974 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.200 4.525 0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.535 2.805 0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.488 1.589 0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.604 4.762 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.237 1.247 -2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.448 5.286 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.079 1.767 -4.393 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.583 3.926 -4.643 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.992 2.209 -1.138 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.892 1.981 -2.262 1.00 0.00 C ATOM 1277 C ASP A 83 -16.904 3.116 -2.385 1.00 0.00 C ATOM 1278 O ASP A 83 -17.239 3.546 -3.490 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.621 0.647 -2.098 1.00 0.00 C ATOM 1280 CG ASP A 83 -15.720 -0.441 -1.545 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -14.514 -0.432 -1.869 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.221 -1.300 -0.790 1.00 0.00 O ATOM 0 H ASP A 83 -14.867 1.401 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.295 1.949 -3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.474 0.782 -1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.017 0.331 -3.063 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.390 3.596 -1.245 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.365 4.680 -1.225 1.00 0.00 C ATOM 1289 C HIS A 84 -17.720 5.999 -1.640 1.00 0.00 C ATOM 1290 O HIS A 84 -18.383 6.881 -2.184 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.980 4.817 0.168 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.721 6.102 0.373 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.596 6.622 -0.558 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.715 6.972 1.410 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.095 7.757 -0.102 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.577 7.992 1.090 1.00 0.00 N ATOM 0 H HIS A 84 -17.124 3.251 -0.323 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.152 4.439 -1.939 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.661 3.983 0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -18.189 4.740 0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -19.140 6.881 2.319 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -21.806 8.386 -0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -20.784 8.800 1.677 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.424 6.125 -1.380 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.689 7.337 -1.726 1.00 0.00 C ATOM 1306 C TRP A 85 -15.390 7.384 -3.220 1.00 0.00 C ATOM 1307 O TRP A 85 -15.796 8.316 -3.914 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.385 7.412 -0.930 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.406 8.402 -1.485 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.289 9.719 -1.142 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.410 8.155 -2.483 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.279 10.305 -1.867 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.724 9.366 -2.696 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.029 7.027 -3.216 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.681 9.480 -3.612 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -10.994 7.142 -4.124 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.329 8.360 -4.315 1.00 0.00 C ATOM 0 H TRP A 85 -15.860 5.403 -0.931 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.312 8.195 -1.472 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.613 7.677 0.102 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.922 6.425 -0.911 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.900 10.225 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.990 11.281 -1.799 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.534 6.083 -3.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.168 10.419 -3.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.692 6.277 -4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.523 8.416 -5.031 1.00 0.00 H new ATOM 1328 N ARG A 86 -14.679 6.374 -3.709 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.325 6.302 -5.122 1.00 0.00 C ATOM 1330 C ARG A 86 -15.552 6.527 -6.001 1.00 0.00 C ATOM 1331 O ARG A 86 -15.448 7.070 -7.101 1.00 0.00 O ATOM 1332 CB ARG A 86 -13.697 4.945 -5.443 1.00 0.00 C ATOM 1333 CG ARG A 86 -14.704 3.809 -5.520 1.00 0.00 C ATOM 1334 CD ARG A 86 -14.231 2.706 -6.454 1.00 0.00 C ATOM 1335 NE ARG A 86 -15.191 1.609 -6.536 1.00 0.00 N ATOM 1336 CZ ARG A 86 -15.217 0.590 -5.685 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -14.340 0.528 -4.692 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -16.122 -0.371 -5.825 1.00 0.00 N ATOM 0 H ARG A 86 -14.336 5.594 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.600 7.089 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.168 5.015 -6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.954 4.709 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.867 3.398 -4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -15.663 4.194 -5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.067 3.119 -7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.272 2.323 -6.106 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.880 1.626 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.643 1.264 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.363 -0.256 -4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.799 -0.327 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.141 -1.153 -5.171 1.00 0.00 H new ATOM 1352 N ARG A 87 -16.712 6.106 -5.509 1.00 0.00 N ATOM 1353 CA ARG A 87 -17.958 6.260 -6.250 1.00 0.00 C ATOM 1354 C ARG A 87 -18.281 7.736 -6.470 1.00 0.00 C ATOM 1355 O ARG A 87 -18.767 8.123 -7.532 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.108 5.581 -5.504 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.297 4.120 -5.877 1.00 0.00 C ATOM 1358 CD ARG A 87 -20.636 3.590 -5.390 1.00 0.00 C ATOM 1359 NE ARG A 87 -20.809 3.779 -3.952 1.00 0.00 N ATOM 1360 CZ ARG A 87 -21.728 3.144 -3.232 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -22.551 2.282 -3.814 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -21.824 3.369 -1.928 1.00 0.00 N ATOM 0 H ARG A 87 -16.815 5.655 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 87 -17.834 5.784 -7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -18.927 5.653 -4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -20.032 6.122 -5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.232 4.008 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -18.491 3.526 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.441 4.097 -5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -20.714 2.529 -5.628 1.00 0.00 H new ATOM 0 HE ARG A 87 -20.190 4.434 -3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -22.479 2.105 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -23.256 1.796 -3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -21.192 4.030 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -22.530 2.881 -1.377 1.00 0.00 H new ATOM 1376 N SER A 88 -18.006 8.553 -5.459 1.00 0.00 N ATOM 1377 CA SER A 88 -18.271 9.985 -5.539 1.00 0.00 C ATOM 1378 C SER A 88 -17.152 10.703 -6.287 1.00 0.00 C ATOM 1379 O SER A 88 -17.329 11.825 -6.760 1.00 0.00 O ATOM 1380 CB SER A 88 -18.424 10.576 -4.137 1.00 0.00 C ATOM 1381 OG SER A 88 -19.742 10.394 -3.648 1.00 0.00 O ATOM 0 H SER A 88 -17.600 8.248 -4.574 1.00 0.00 H new ATOM 0 HA SER A 88 -19.202 10.127 -6.089 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.713 10.103 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 88 -18.184 11.639 -4.159 1.00 0.00 H new ATOM 0 HG SER A 88 -19.814 10.779 -2.750 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.001 10.047 -6.389 1.00 0.00 N ATOM 1388 CA GLN A 89 -14.852 10.623 -7.078 1.00 0.00 C ATOM 1389 C GLN A 89 -14.579 12.041 -6.590 1.00 0.00 C ATOM 1390 O GLN A 89 -14.467 12.972 -7.387 1.00 0.00 O ATOM 1391 CB GLN A 89 -15.087 10.627 -8.590 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.012 9.246 -9.221 1.00 0.00 C ATOM 1393 CD GLN A 89 -15.348 9.262 -10.699 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -14.485 9.512 -11.541 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -16.607 8.992 -11.023 1.00 0.00 N ATOM 0 H GLN A 89 -15.839 9.117 -6.004 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.980 10.008 -6.854 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -16.066 11.059 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.348 11.274 -9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.009 8.842 -9.084 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.698 8.576 -8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -17.290 8.790 -10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -16.892 8.986 -12.002 1.00 0.00 H new ATOM 1404 N MET A 90 -14.474 12.199 -5.274 1.00 0.00 N ATOM 1405 CA MET A 90 -14.214 13.505 -4.680 1.00 0.00 C ATOM 1406 C MET A 90 -12.932 14.112 -5.241 1.00 0.00 C ATOM 1407 O MET A 90 -12.044 13.394 -5.702 1.00 0.00 O ATOM 1408 CB MET A 90 -14.112 13.386 -3.158 1.00 0.00 C ATOM 1409 CG MET A 90 -15.410 12.956 -2.494 1.00 0.00 C ATOM 1410 SD MET A 90 -15.589 11.163 -2.416 1.00 0.00 S ATOM 1411 CE MET A 90 -16.478 10.979 -0.872 1.00 0.00 C ATOM 0 H MET A 90 -14.565 11.439 -4.600 1.00 0.00 H new ATOM 0 HA MET A 90 -15.046 14.162 -4.931 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.331 12.668 -2.909 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.804 14.347 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.450 13.366 -1.485 1.00 0.00 H new ATOM 0 HG3 MET A 90 -16.252 13.378 -3.043 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.043 10.161 -0.297 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.407 11.904 -0.299 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.525 10.760 -1.079 1.00 0.00 H new ATOM 1421 N SER A 91 -12.842 15.437 -5.199 1.00 0.00 N ATOM 1422 CA SER A 91 -11.670 16.140 -5.708 1.00 0.00 C ATOM 1423 C SER A 91 -10.406 15.682 -4.986 1.00 0.00 C ATOM 1424 O SER A 91 -9.348 15.536 -5.597 1.00 0.00 O ATOM 1425 CB SER A 91 -11.844 17.651 -5.544 1.00 0.00 C ATOM 1426 OG SER A 91 -12.100 17.992 -4.192 1.00 0.00 O ATOM 0 H SER A 91 -13.566 16.046 -4.818 1.00 0.00 H new ATOM 0 HA SER A 91 -11.568 15.906 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.945 18.163 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.666 17.996 -6.171 1.00 0.00 H new ATOM 0 HG SER A 91 -12.206 18.963 -4.114 1.00 0.00 H new ATOM 1432 N MET A 92 -10.526 15.456 -3.682 1.00 0.00 N ATOM 1433 CA MET A 92 -9.394 15.013 -2.877 1.00 0.00 C ATOM 1434 C MET A 92 -9.336 13.490 -2.812 1.00 0.00 C ATOM 1435 O MET A 92 -10.342 12.799 -2.974 1.00 0.00 O ATOM 1436 CB MET A 92 -9.488 15.592 -1.464 1.00 0.00 C ATOM 1437 CG MET A 92 -10.246 14.702 -0.492 1.00 0.00 C ATOM 1438 SD MET A 92 -12.003 14.588 -0.880 1.00 0.00 S ATOM 1439 CE MET A 92 -12.717 14.654 0.761 1.00 0.00 C ATOM 0 H MET A 92 -11.395 15.572 -3.161 1.00 0.00 H new ATOM 0 HA MET A 92 -8.481 15.374 -3.350 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.481 15.760 -1.081 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.977 16.565 -1.511 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.810 13.703 -0.504 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.126 15.090 0.519 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.803 14.594 0.688 1.00 0.00 H new ATOM 0 HE2 MET A 92 -12.346 13.817 1.353 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.437 15.591 1.242 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.131 12.952 -2.570 1.00 0.00 N ATOM 1450 CA PRO A 93 -7.914 11.505 -2.478 1.00 0.00 C ATOM 1451 C PRO A 93 -8.543 10.903 -1.227 1.00 0.00 C ATOM 1452 O PRO A 93 -8.940 11.624 -0.311 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.389 11.378 -2.425 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.920 12.678 -1.869 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.888 13.715 -2.367 1.00 0.00 C ATOM 0 HA PRO A 93 -8.371 10.970 -3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.083 10.544 -1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.972 11.198 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.902 12.653 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.905 12.901 -2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.024 14.519 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.543 14.175 -3.293 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.629 9.577 -1.193 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.211 8.878 -0.053 1.00 0.00 C ATOM 1465 C PHE A 94 -8.390 9.121 1.210 1.00 0.00 C ATOM 1466 O PHE A 94 -8.938 9.422 2.270 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.297 7.377 -0.338 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.777 6.571 0.834 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.130 6.472 1.116 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -8.875 5.911 1.654 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.574 5.731 2.195 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.314 5.169 2.734 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.665 5.077 3.004 1.00 0.00 C ATOM 0 H PHE A 94 -8.303 8.965 -1.941 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.216 9.269 0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -9.969 7.213 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.314 7.016 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.845 6.979 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.817 5.977 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.631 5.663 2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.601 4.661 3.366 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.010 4.495 3.846 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.073 8.987 1.088 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.177 9.190 2.220 1.00 0.00 C ATOM 1485 C GLN A 95 -6.587 10.419 3.026 1.00 0.00 C ATOM 1486 O GLN A 95 -6.311 10.508 4.221 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.734 9.342 1.735 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.554 10.441 0.700 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.148 11.008 0.690 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.946 12.203 0.910 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.166 10.151 0.434 1.00 0.00 N ATOM 0 H GLN A 95 -6.603 8.739 0.217 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.245 8.315 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.092 9.551 2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.400 8.395 1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.790 10.046 -0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.264 11.243 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.379 9.169 0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.199 10.475 0.414 1.00 0.00 H new ATOM 1500 N GLN A 96 -7.248 11.362 2.362 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.695 12.585 3.017 1.00 0.00 C ATOM 1502 C GLN A 96 -9.076 12.398 3.636 1.00 0.00 C ATOM 1503 O GLN A 96 -9.279 12.671 4.819 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.724 13.743 2.017 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.576 15.110 2.665 1.00 0.00 C ATOM 1506 CD GLN A 96 -8.901 15.686 3.121 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -9.967 15.191 2.752 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -8.843 16.739 3.929 1.00 0.00 N ATOM 0 H GLN A 96 -7.485 11.302 1.372 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.989 12.819 3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.923 13.605 1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.663 13.712 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.905 15.032 3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.111 15.795 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.938 17.117 4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.703 17.169 4.268 1.00 0.00 H new ATOM 1517 N TRP A 97 -10.022 11.932 2.829 1.00 0.00 N ATOM 1518 CA TRP A 97 -11.385 11.709 3.298 1.00 0.00 C ATOM 1519 C TRP A 97 -11.387 10.988 4.641 1.00 0.00 C ATOM 1520 O TRP A 97 -12.143 11.344 5.544 1.00 0.00 O ATOM 1521 CB TRP A 97 -12.174 10.897 2.269 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.652 10.901 2.516 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.479 11.987 2.525 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.478 9.764 2.792 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.769 11.595 2.790 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.795 10.236 2.957 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -14.233 8.393 2.914 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.860 9.385 3.238 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -15.291 7.550 3.194 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.592 8.048 3.352 1.00 0.00 C ATOM 0 H TRP A 97 -9.871 11.701 1.847 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.862 12.681 3.427 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.978 11.297 1.274 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.815 9.868 2.276 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -14.165 13.005 2.349 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.576 12.215 2.852 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -13.235 8.000 2.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.863 9.767 3.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -15.113 6.489 3.293 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -17.399 7.363 3.568 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.536 9.975 4.766 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.442 9.205 6.001 1.00 0.00 C ATOM 1543 C GLU A 98 -10.464 10.125 7.219 1.00 0.00 C ATOM 1544 O GLU A 98 -11.339 10.015 8.077 1.00 0.00 O ATOM 1545 CB GLU A 98 -9.164 8.364 6.008 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.361 6.954 5.476 1.00 0.00 C ATOM 1547 CD GLU A 98 -8.082 6.355 4.922 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -7.534 6.921 3.953 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -7.630 5.322 5.457 1.00 0.00 O ATOM 0 H GLU A 98 -9.902 9.668 4.028 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.306 8.542 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.405 8.867 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.781 8.309 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.739 6.317 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.120 6.968 4.694 1.00 0.00 H new ATOM 1556 N ALA A 99 -9.494 11.031 7.286 1.00 0.00 N ATOM 1557 CA ALA A 99 -9.403 11.971 8.396 1.00 0.00 C ATOM 1558 C ALA A 99 -10.745 12.646 8.656 1.00 0.00 C ATOM 1559 O ALA A 99 -11.229 12.674 9.789 1.00 0.00 O ATOM 1560 CB ALA A 99 -8.331 13.014 8.118 1.00 0.00 C ATOM 0 H ALA A 99 -8.760 11.134 6.585 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.128 11.412 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.274 13.709 8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.368 12.520 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.582 13.561 7.209 1.00 0.00 H new ATOM 1566 N LEU A 100 -11.343 13.190 7.602 1.00 0.00 N ATOM 1567 CA LEU A 100 -12.630 13.867 7.716 1.00 0.00 C ATOM 1568 C LEU A 100 -13.637 12.998 8.464 1.00 0.00 C ATOM 1569 O LEU A 100 -14.471 13.504 9.214 1.00 0.00 O ATOM 1570 CB LEU A 100 -13.171 14.214 6.328 1.00 0.00 C ATOM 1571 CG LEU A 100 -12.782 15.587 5.780 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -11.297 15.631 5.454 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -13.611 15.925 4.549 1.00 0.00 C ATOM 0 H LEU A 100 -10.957 13.175 6.658 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.480 14.787 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.828 13.454 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -14.259 14.152 6.358 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.987 16.334 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.039 16.616 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.720 15.435 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.066 14.873 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.320 16.906 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.439 15.175 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.668 15.937 4.814 1.00 0.00 H new ATOM 1585 N ASN A 101 -13.551 11.689 8.255 1.00 0.00 N ATOM 1586 CA ASN A 101 -14.454 10.749 8.911 1.00 0.00 C ATOM 1587 C ASN A 101 -14.119 10.619 10.394 1.00 0.00 C ATOM 1588 O ASN A 101 -14.954 10.892 11.256 1.00 0.00 O ATOM 1589 CB ASN A 101 -14.375 9.379 8.236 1.00 0.00 C ATOM 1590 CG ASN A 101 -15.374 9.234 7.104 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -16.414 9.892 7.091 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -15.061 8.368 6.146 1.00 0.00 N ATOM 0 H ASN A 101 -12.866 11.254 7.637 1.00 0.00 H new ATOM 0 HA ASN A 101 -15.470 11.133 8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.367 9.225 7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -14.555 8.601 8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -15.694 8.227 5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -14.188 7.844 6.198 1.00 0.00 H new ATOM 1599 N ASP A 102 -12.892 10.200 10.683 1.00 0.00 N ATOM 1600 CA ASP A 102 -12.445 10.034 12.061 1.00 0.00 C ATOM 1601 C ASP A 102 -11.692 11.271 12.540 1.00 0.00 C ATOM 1602 O ASP A 102 -10.659 11.637 11.979 1.00 0.00 O ATOM 1603 CB ASP A 102 -11.553 8.798 12.186 1.00 0.00 C ATOM 1604 CG ASP A 102 -11.366 8.362 13.626 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -11.492 9.218 14.526 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -11.092 7.164 13.853 1.00 0.00 O ATOM 0 H ASP A 102 -12.189 9.969 9.981 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.326 9.901 12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.990 7.979 11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.579 9.010 11.744 1.00 0.00 H new ATOM 1611 N SER A 103 -12.216 11.911 13.581 1.00 0.00 N ATOM 1612 CA SER A 103 -11.595 13.109 14.133 1.00 0.00 C ATOM 1613 C SER A 103 -10.533 12.745 15.166 1.00 0.00 C ATOM 1614 O SER A 103 -10.819 12.645 16.359 1.00 0.00 O ATOM 1615 CB SER A 103 -12.655 14.010 14.770 1.00 0.00 C ATOM 1616 OG SER A 103 -13.530 14.540 13.790 1.00 0.00 O ATOM 0 H SER A 103 -13.069 11.620 14.059 1.00 0.00 H new ATOM 0 HA SER A 103 -11.113 13.647 13.317 1.00 0.00 H new ATOM 0 HB2 SER A 103 -13.227 13.441 15.503 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.169 14.825 15.307 1.00 0.00 H new ATOM 0 HG SER A 103 -14.199 15.111 14.223 1.00 0.00 H new ATOM 1622 N VAL A 104 -9.305 12.547 14.697 1.00 0.00 N ATOM 1623 CA VAL A 104 -8.198 12.195 15.579 1.00 0.00 C ATOM 1624 C VAL A 104 -7.444 13.437 16.039 1.00 0.00 C ATOM 1625 O VAL A 104 -6.336 13.711 15.577 1.00 0.00 O ATOM 1626 CB VAL A 104 -7.212 11.236 14.886 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -7.681 9.796 15.023 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -7.043 11.613 13.422 1.00 0.00 C ATOM 0 H VAL A 104 -9.052 12.624 13.712 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.631 11.696 16.446 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.242 11.325 15.375 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.972 9.134 14.527 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.746 9.533 16.079 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.662 9.687 14.561 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.343 10.925 12.948 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.007 11.554 12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.657 12.630 13.350 1.00 0.00 H new ATOM 1638 N LYS A 105 -8.052 14.187 16.952 1.00 0.00 N ATOM 1639 CA LYS A 105 -7.439 15.402 17.477 1.00 0.00 C ATOM 1640 C LYS A 105 -6.126 15.085 18.186 1.00 0.00 C ATOM 1641 O LYS A 105 -5.254 15.946 18.315 1.00 0.00 O ATOM 1642 CB LYS A 105 -8.395 16.104 18.443 1.00 0.00 C ATOM 1643 CG LYS A 105 -8.828 15.234 19.610 1.00 0.00 C ATOM 1644 CD LYS A 105 -9.302 16.074 20.785 1.00 0.00 C ATOM 1645 CE LYS A 105 -9.227 15.297 22.091 1.00 0.00 C ATOM 1646 NZ LYS A 105 -10.448 14.476 22.319 1.00 0.00 N ATOM 0 H LYS A 105 -8.969 13.975 17.344 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.229 16.065 16.638 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.913 17.002 18.829 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.279 16.428 17.894 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -9.629 14.568 19.291 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.996 14.604 19.924 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.692 16.974 20.860 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -10.328 16.398 20.612 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.351 14.649 22.078 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.097 15.992 22.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.358 13.962 23.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.282 15.097 22.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.559 13.795 21.541 1.00 0.00 H new ATOM 1660 N THR A 106 -5.989 13.844 18.642 1.00 0.00 N ATOM 1661 CA THR A 106 -4.782 13.414 19.337 1.00 0.00 C ATOM 1662 C THR A 106 -3.582 13.398 18.397 1.00 0.00 C ATOM 1663 O THR A 106 -2.512 13.905 18.733 1.00 0.00 O ATOM 1664 CB THR A 106 -4.957 12.012 19.951 1.00 0.00 C ATOM 1665 OG1 THR A 106 -6.091 11.999 20.826 1.00 0.00 O ATOM 1666 CG2 THR A 106 -3.711 11.600 20.721 1.00 0.00 C ATOM 0 H THR A 106 -6.699 13.119 18.542 1.00 0.00 H new ATOM 0 HA THR A 106 -4.604 14.134 20.136 1.00 0.00 H new ATOM 0 HB THR A 106 -5.116 11.301 19.140 1.00 0.00 H new ATOM 0 HG1 THR A 106 -6.197 11.104 21.211 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.858 10.607 21.146 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.855 11.583 20.046 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.526 12.314 21.524 1.00 0.00 H new ATOM 1674 N SER A 107 -3.768 12.814 17.217 1.00 0.00 N ATOM 1675 CA SER A 107 -2.699 12.730 16.229 1.00 0.00 C ATOM 1676 C SER A 107 -1.361 12.433 16.900 1.00 0.00 C ATOM 1677 O SER A 107 -0.321 12.944 16.489 1.00 0.00 O ATOM 1678 CB SER A 107 -2.606 14.034 15.435 1.00 0.00 C ATOM 1679 OG SER A 107 -2.503 15.152 16.300 1.00 0.00 O ATOM 0 H SER A 107 -4.649 12.392 16.922 1.00 0.00 H new ATOM 0 HA SER A 107 -2.932 11.913 15.546 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.739 14.000 14.775 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.486 14.141 14.801 1.00 0.00 H new ATOM 0 HG SER A 107 -1.798 14.990 16.961 1.00 0.00 H new ATOM 1685 N GLY A 108 -1.398 11.602 17.937 1.00 0.00 N ATOM 1686 CA GLY A 108 -0.183 11.250 18.650 1.00 0.00 C ATOM 1687 C GLY A 108 0.409 12.426 19.401 1.00 0.00 C ATOM 1688 O GLY A 108 -0.293 13.363 19.784 1.00 0.00 O ATOM 0 H GLY A 108 -2.247 11.166 18.296 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.398 10.445 19.353 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.552 10.867 17.942 1.00 0.00 H new ATOM 1692 N PRO A 109 1.731 12.385 19.625 1.00 0.00 N ATOM 1693 CA PRO A 109 2.446 13.447 20.339 1.00 0.00 C ATOM 1694 C PRO A 109 2.523 14.738 19.531 1.00 0.00 C ATOM 1695 O PRO A 109 3.128 15.718 19.966 1.00 0.00 O ATOM 1696 CB PRO A 109 3.844 12.859 20.542 1.00 0.00 C ATOM 1697 CG PRO A 109 4.000 11.866 19.442 1.00 0.00 C ATOM 1698 CD PRO A 109 2.629 11.299 19.198 1.00 0.00 C ATOM 0 HA PRO A 109 1.946 13.722 21.268 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.610 13.632 20.489 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.936 12.385 21.519 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.392 12.339 18.542 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.703 11.081 19.722 1.00 0.00 H new ATOM 0 HD2 PRO A 109 2.480 11.044 18.149 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.462 10.389 19.774 1.00 0.00 H new ATOM 1706 N SER A 110 1.906 14.732 18.354 1.00 0.00 N ATOM 1707 CA SER A 110 1.909 15.902 17.483 1.00 0.00 C ATOM 1708 C SER A 110 3.324 16.441 17.301 1.00 0.00 C ATOM 1709 O SER A 110 3.553 17.649 17.362 1.00 0.00 O ATOM 1710 CB SER A 110 1.005 16.994 18.060 1.00 0.00 C ATOM 1711 OG SER A 110 1.434 17.380 19.354 1.00 0.00 O ATOM 0 H SER A 110 1.398 13.930 17.981 1.00 0.00 H new ATOM 0 HA SER A 110 1.527 15.600 16.508 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.009 17.860 17.399 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.022 16.633 18.107 1.00 0.00 H new ATOM 0 HG SER A 110 2.390 17.188 19.452 1.00 0.00 H new ATOM 1717 N SER A 111 4.271 15.535 17.076 1.00 0.00 N ATOM 1718 CA SER A 111 5.666 15.918 16.889 1.00 0.00 C ATOM 1719 C SER A 111 5.817 16.845 15.687 1.00 0.00 C ATOM 1720 O SER A 111 4.976 16.859 14.789 1.00 0.00 O ATOM 1721 CB SER A 111 6.537 14.674 16.701 1.00 0.00 C ATOM 1722 OG SER A 111 6.005 13.826 15.698 1.00 0.00 O ATOM 0 H SER A 111 4.098 14.531 17.019 1.00 0.00 H new ATOM 0 HA SER A 111 5.994 16.451 17.781 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.550 14.973 16.430 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.607 14.129 17.643 1.00 0.00 H new ATOM 0 HG SER A 111 6.580 13.039 15.596 1.00 0.00 H new ATOM 1728 N GLY A 112 6.899 17.619 15.677 1.00 0.00 N ATOM 1729 CA GLY A 112 7.142 18.539 14.582 1.00 0.00 C ATOM 1730 C GLY A 112 6.808 19.973 14.943 1.00 0.00 C ATOM 1731 O GLY A 112 7.409 20.909 14.417 1.00 0.00 O ATOM 0 H GLY A 112 7.611 17.625 16.408 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.189 18.477 14.285 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.548 18.237 13.720 1.00 0.00 H new TER 1735 GLY A 112