USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 993 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 90 SER OG : rot -150:sc= -0.013 USER MOD Set 1.2: A 100 GLN : amide:sc= -0.335 K(o=-0.35,f=-2.9!) USER MOD Set 2.1: A 17 GLN : amide:sc= 0.921 K(o=0.89,f=-4.8!) USER MOD Set 2.2: A 115 TYR OH : rot -151:sc= -0.0274! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.109 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.474 USER MOD Single : A 3 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.03) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 103:sc= -1.01! USER MOD Single : A 18 LYS NZ :NH3+ -107:sc= 1.01 (180deg=0.0156) USER MOD Single : A 21 THR OG1 : rot 97:sc= 1.14 USER MOD Single : A 26 GLN : amide:sc= -0.161 K(o=-0.16,f=-3!) USER MOD Single : A 33 SER OG : rot 180:sc= -1.25! USER MOD Single : A 39 TYR OH : rot 90:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -5.18 K(o=-5.2,f=-7.9!) USER MOD Single : A 44 HIS : no HE2:sc= -3.3! C(o=-3.3!,f=-4.6!) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= -0.0499 (180deg=-0.757) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -158:sc= -0.0218 (180deg=-0.999) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.649 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot -100:sc= -5.09! USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 88 MET CE :methyl 162:sc= -0.74 (180deg=-2.01) USER MOD Single : A 89 GLN :FLIP amide:sc= -3.21! C(o=-8.1!,f=-3.2!) USER MOD Single : A 95 LYS NZ :NH3+ -152:sc= -0.0524 (180deg=-0.523) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 95:sc= 0.676 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 30:sc= 0.0254 USER MOD Single : A 127 HIS :FLIP no HD1:sc= -0.551 F(o=-1.1,f=-0.55) USER MOD Single : A 128 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-6.1!) USER MOD Single : A 129 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-4.6!) USER MOD Single : A 130 HIS : no HD1:sc=-0.00265 X(o=-0.0026,f=-0.15) USER MOD Single : A 131 HIS :FLIP no HD1:sc= -7.75! C(o=-9.1!,f=-7.7!) USER MOD Single : A 132 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.215 -7.403 7.603 1.00 0.00 N ATOM 2 CA MET A 1 -11.215 -6.373 7.203 1.00 0.00 C ATOM 3 C MET A 1 -12.370 -6.366 8.205 1.00 0.00 C ATOM 4 O MET A 1 -12.293 -6.961 9.261 1.00 0.00 O ATOM 5 CB MET A 1 -11.753 -6.699 5.808 1.00 0.00 C ATOM 6 CG MET A 1 -10.744 -6.253 4.747 1.00 0.00 C ATOM 7 SD MET A 1 -11.479 -4.955 3.722 1.00 0.00 S ATOM 8 CE MET A 1 -12.459 -6.036 2.652 1.00 0.00 C ATOM 0 H1 MET A 1 -9.297 -6.946 7.776 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.535 -7.878 8.471 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.115 -8.104 6.841 1.00 0.00 H new ATOM 0 HA MET A 1 -10.740 -5.392 7.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.938 -7.770 5.720 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.707 -6.197 5.650 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.837 -5.883 5.225 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.454 -7.101 4.126 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.006 -5.432 1.928 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.797 -6.724 2.125 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.165 -6.604 3.257 1.00 0.00 H new ATOM 20 N SER A 2 -13.443 -5.697 7.880 1.00 0.00 N ATOM 21 CA SER A 2 -14.606 -5.650 8.808 1.00 0.00 C ATOM 22 C SER A 2 -15.887 -5.432 8.000 1.00 0.00 C ATOM 23 O SER A 2 -15.915 -4.657 7.064 1.00 0.00 O ATOM 24 CB SER A 2 -14.426 -4.498 9.797 1.00 0.00 C ATOM 25 OG SER A 2 -13.644 -4.942 10.898 1.00 0.00 O ATOM 0 H SER A 2 -13.563 -5.180 7.009 1.00 0.00 H new ATOM 0 HA SER A 2 -14.673 -6.590 9.356 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.939 -3.655 9.307 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.398 -4.147 10.144 1.00 0.00 H new ATOM 0 HG SER A 2 -13.080 -5.693 10.617 1.00 0.00 H new ATOM 31 N HIS A 3 -16.947 -6.110 8.346 1.00 0.00 N ATOM 32 CA HIS A 3 -18.216 -5.936 7.587 1.00 0.00 C ATOM 33 C HIS A 3 -17.916 -5.995 6.088 1.00 0.00 C ATOM 34 O HIS A 3 -16.818 -6.315 5.679 1.00 0.00 O ATOM 35 CB HIS A 3 -18.835 -4.579 7.930 1.00 0.00 C ATOM 36 CG HIS A 3 -19.652 -4.702 9.186 1.00 0.00 C ATOM 37 ND1 HIS A 3 -20.431 -3.659 9.668 1.00 0.00 N ATOM 38 CD2 HIS A 3 -19.826 -5.739 10.071 1.00 0.00 C ATOM 39 CE1 HIS A 3 -21.031 -4.087 10.794 1.00 0.00 C ATOM 40 NE2 HIS A 3 -20.696 -5.345 11.080 1.00 0.00 N ATOM 0 H HIS A 3 -16.989 -6.774 9.119 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.914 -6.729 7.854 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.051 -3.834 8.065 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -19.463 -4.236 7.108 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -19.359 -6.710 9.994 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -21.701 -3.486 11.391 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -21.012 -5.902 11.874 1.00 0.00 H new ATOM 48 N GLN A 4 -18.880 -5.689 5.265 1.00 0.00 N ATOM 49 CA GLN A 4 -18.641 -5.731 3.795 1.00 0.00 C ATOM 50 C GLN A 4 -18.415 -4.310 3.274 1.00 0.00 C ATOM 51 O GLN A 4 -17.502 -4.056 2.514 1.00 0.00 O ATOM 52 CB GLN A 4 -19.854 -6.347 3.095 1.00 0.00 C ATOM 53 CG GLN A 4 -19.894 -7.850 3.374 1.00 0.00 C ATOM 54 CD GLN A 4 -20.696 -8.554 2.279 1.00 0.00 C ATOM 55 OE1 GLN A 4 -20.148 -8.964 1.275 1.00 0.00 O ATOM 56 NE2 GLN A 4 -21.984 -8.712 2.429 1.00 0.00 N ATOM 0 H GLN A 4 -19.821 -5.412 5.546 1.00 0.00 H new ATOM 0 HA GLN A 4 -17.759 -6.338 3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -20.770 -5.876 3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.798 -6.167 2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.881 -8.250 3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -20.347 -8.037 4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -22.445 -8.368 3.271 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.528 -9.179 1.704 1.00 0.00 H new ATOM 65 N ASP A 5 -19.238 -3.380 3.676 1.00 0.00 N ATOM 66 CA ASP A 5 -19.065 -1.979 3.202 1.00 0.00 C ATOM 67 C ASP A 5 -18.283 -1.180 4.247 1.00 0.00 C ATOM 68 O ASP A 5 -18.794 -0.844 5.296 1.00 0.00 O ATOM 69 CB ASP A 5 -20.438 -1.335 2.994 1.00 0.00 C ATOM 70 CG ASP A 5 -20.277 0.181 2.873 1.00 0.00 C ATOM 71 OD1 ASP A 5 -19.734 0.622 1.872 1.00 0.00 O ATOM 72 OD2 ASP A 5 -20.697 0.877 3.782 1.00 0.00 O ATOM 0 H ASP A 5 -20.022 -3.530 4.311 1.00 0.00 H new ATOM 0 HA ASP A 5 -18.518 -1.981 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -20.906 -1.735 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -21.095 -1.576 3.830 1.00 0.00 H new ATOM 77 N ASP A 6 -17.046 -0.872 3.966 1.00 0.00 N ATOM 78 CA ASP A 6 -16.233 -0.094 4.943 1.00 0.00 C ATOM 79 C ASP A 6 -16.472 1.401 4.726 1.00 0.00 C ATOM 80 O ASP A 6 -17.360 1.797 3.997 1.00 0.00 O ATOM 81 CB ASP A 6 -14.750 -0.412 4.739 1.00 0.00 C ATOM 82 CG ASP A 6 -14.579 -1.911 4.480 1.00 0.00 C ATOM 83 OD1 ASP A 6 -15.584 -2.600 4.428 1.00 0.00 O ATOM 84 OD2 ASP A 6 -13.447 -2.342 4.338 1.00 0.00 O ATOM 0 H ASP A 6 -16.564 -1.125 3.103 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.524 -0.364 5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.357 0.160 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -14.180 -0.117 5.620 1.00 0.00 H new ATOM 89 N TYR A 7 -15.691 2.235 5.356 1.00 0.00 N ATOM 90 CA TYR A 7 -15.880 3.703 5.186 1.00 0.00 C ATOM 91 C TYR A 7 -14.649 4.304 4.503 1.00 0.00 C ATOM 92 O TYR A 7 -13.554 4.267 5.029 1.00 0.00 O ATOM 93 CB TYR A 7 -16.071 4.355 6.558 1.00 0.00 C ATOM 94 CG TYR A 7 -17.505 4.806 6.707 1.00 0.00 C ATOM 95 CD1 TYR A 7 -17.937 5.982 6.081 1.00 0.00 C ATOM 96 CD2 TYR A 7 -18.402 4.047 7.467 1.00 0.00 C ATOM 97 CE1 TYR A 7 -19.266 6.398 6.217 1.00 0.00 C ATOM 98 CE2 TYR A 7 -19.731 4.464 7.603 1.00 0.00 C ATOM 99 CZ TYR A 7 -20.164 5.641 6.978 1.00 0.00 C ATOM 100 OH TYR A 7 -21.474 6.052 7.113 1.00 0.00 O ATOM 0 H TYR A 7 -14.931 1.964 5.980 1.00 0.00 H new ATOM 0 HA TYR A 7 -16.761 3.885 4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -15.818 3.647 7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -15.398 5.206 6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -17.245 6.567 5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -18.069 3.140 7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -19.599 7.305 5.734 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -20.423 3.878 8.190 1.00 0.00 H new ATOM 0 HH TYR A 7 -21.962 5.412 7.672 1.00 0.00 H new ATOM 110 N LEU A 8 -14.820 4.859 3.334 1.00 0.00 N ATOM 111 CA LEU A 8 -13.661 5.463 2.619 1.00 0.00 C ATOM 112 C LEU A 8 -13.747 6.988 2.708 1.00 0.00 C ATOM 113 O LEU A 8 -14.736 7.538 3.150 1.00 0.00 O ATOM 114 CB LEU A 8 -13.689 5.033 1.149 1.00 0.00 C ATOM 115 CG LEU A 8 -15.002 4.305 0.855 1.00 0.00 C ATOM 116 CD1 LEU A 8 -15.130 4.068 -0.652 1.00 0.00 C ATOM 117 CD2 LEU A 8 -15.015 2.959 1.586 1.00 0.00 C ATOM 0 H LEU A 8 -15.712 4.920 2.844 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.732 5.125 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.592 5.905 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.843 4.380 0.934 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.838 4.914 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.066 3.549 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.122 5.025 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.294 3.460 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.950 2.440 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.178 2.351 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.926 3.127 2.659 1.00 0.00 H new ATOM 129 N SER A 9 -12.719 7.677 2.296 1.00 0.00 N ATOM 130 CA SER A 9 -12.748 9.166 2.362 1.00 0.00 C ATOM 131 C SER A 9 -11.595 9.738 1.536 1.00 0.00 C ATOM 132 O SER A 9 -10.483 9.862 2.010 1.00 0.00 O ATOM 133 CB SER A 9 -12.603 9.615 3.816 1.00 0.00 C ATOM 134 OG SER A 9 -13.217 8.657 4.668 1.00 0.00 O ATOM 0 H SER A 9 -11.862 7.275 1.917 1.00 0.00 H new ATOM 0 HA SER A 9 -13.695 9.527 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.549 9.723 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.066 10.592 3.955 1.00 0.00 H new ATOM 0 HG SER A 9 -12.527 8.103 5.088 1.00 0.00 H new ATOM 140 N VAL A 10 -11.849 10.094 0.307 1.00 0.00 N ATOM 141 CA VAL A 10 -10.764 10.661 -0.540 1.00 0.00 C ATOM 142 C VAL A 10 -9.892 11.585 0.313 1.00 0.00 C ATOM 143 O VAL A 10 -8.726 11.782 0.040 1.00 0.00 O ATOM 144 CB VAL A 10 -11.378 11.459 -1.691 1.00 0.00 C ATOM 145 CG1 VAL A 10 -12.243 10.534 -2.548 1.00 0.00 C ATOM 146 CG2 VAL A 10 -12.245 12.584 -1.122 1.00 0.00 C ATOM 0 H VAL A 10 -12.760 10.017 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.156 9.853 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.584 11.885 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.681 11.102 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.627 9.730 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.038 10.109 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.684 13.155 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.040 12.157 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.630 13.243 -0.509 1.00 0.00 H new ATOM 156 N GLU A 11 -10.452 12.152 1.346 1.00 0.00 N ATOM 157 CA GLU A 11 -9.659 13.061 2.219 1.00 0.00 C ATOM 158 C GLU A 11 -8.664 12.236 3.038 1.00 0.00 C ATOM 159 O GLU A 11 -7.466 12.426 2.950 1.00 0.00 O ATOM 160 CB GLU A 11 -10.601 13.812 3.162 1.00 0.00 C ATOM 161 CG GLU A 11 -9.781 14.526 4.239 1.00 0.00 C ATOM 162 CD GLU A 11 -9.938 13.793 5.571 1.00 0.00 C ATOM 163 OE1 GLU A 11 -9.198 12.848 5.795 1.00 0.00 O ATOM 164 OE2 GLU A 11 -10.794 14.186 6.345 1.00 0.00 O ATOM 0 H GLU A 11 -11.425 12.025 1.623 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.117 13.778 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.194 14.535 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.301 13.116 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.730 14.556 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.114 15.559 4.339 1.00 0.00 H new ATOM 171 N GLU A 12 -9.146 11.319 3.834 1.00 0.00 N ATOM 172 CA GLU A 12 -8.221 10.486 4.651 1.00 0.00 C ATOM 173 C GLU A 12 -7.253 9.752 3.722 1.00 0.00 C ATOM 174 O GLU A 12 -6.128 9.466 4.081 1.00 0.00 O ATOM 175 CB GLU A 12 -9.027 9.470 5.470 1.00 0.00 C ATOM 176 CG GLU A 12 -9.240 8.195 4.651 1.00 0.00 C ATOM 177 CD GLU A 12 -10.246 7.292 5.367 1.00 0.00 C ATOM 178 OE1 GLU A 12 -11.237 7.811 5.854 1.00 0.00 O ATOM 179 OE2 GLU A 12 -10.008 6.097 5.417 1.00 0.00 O ATOM 0 H GLU A 12 -10.138 11.112 3.953 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.658 11.124 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.500 9.235 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.989 9.898 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.605 8.446 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.293 7.671 4.521 1.00 0.00 H new ATOM 186 N LEU A 13 -7.677 9.453 2.524 1.00 0.00 N ATOM 187 CA LEU A 13 -6.775 8.750 1.568 1.00 0.00 C ATOM 188 C LEU A 13 -5.709 9.730 1.078 1.00 0.00 C ATOM 189 O LEU A 13 -4.528 9.538 1.291 1.00 0.00 O ATOM 190 CB LEU A 13 -7.583 8.243 0.372 1.00 0.00 C ATOM 191 CG LEU A 13 -8.672 7.283 0.851 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.591 6.935 -0.322 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.025 6.005 1.390 1.00 0.00 C ATOM 0 H LEU A 13 -8.608 9.665 2.166 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.303 7.904 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.033 9.083 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.925 7.737 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.253 7.756 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.369 6.250 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.051 7.845 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.009 6.461 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.801 5.320 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.444 5.530 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.368 6.253 2.223 1.00 0.00 H new ATOM 205 N ILE A 14 -6.120 10.780 0.423 1.00 0.00 N ATOM 206 CA ILE A 14 -5.136 11.776 -0.080 1.00 0.00 C ATOM 207 C ILE A 14 -4.098 12.054 1.006 1.00 0.00 C ATOM 208 O ILE A 14 -2.913 12.114 0.746 1.00 0.00 O ATOM 209 CB ILE A 14 -5.864 13.073 -0.438 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.516 12.924 -1.816 1.00 0.00 C ATOM 211 CG2 ILE A 14 -4.864 14.229 -0.471 1.00 0.00 C ATOM 212 CD1 ILE A 14 -7.737 13.841 -1.906 1.00 0.00 C ATOM 0 H ILE A 14 -7.096 10.991 0.215 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.638 11.384 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.630 13.279 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.800 13.177 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.813 11.888 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.384 15.153 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.397 14.334 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.097 14.026 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.200 13.735 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.455 13.567 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.426 14.876 -1.762 1.00 0.00 H new ATOM 224 N GLU A 15 -4.532 12.219 2.226 1.00 0.00 N ATOM 225 CA GLU A 15 -3.568 12.486 3.329 1.00 0.00 C ATOM 226 C GLU A 15 -2.530 11.364 3.372 1.00 0.00 C ATOM 227 O GLU A 15 -1.344 11.596 3.246 1.00 0.00 O ATOM 228 CB GLU A 15 -4.320 12.541 4.662 1.00 0.00 C ATOM 229 CG GLU A 15 -3.546 13.417 5.651 1.00 0.00 C ATOM 230 CD GLU A 15 -3.843 14.890 5.369 1.00 0.00 C ATOM 231 OE1 GLU A 15 -3.562 15.331 4.267 1.00 0.00 O ATOM 232 OE2 GLU A 15 -4.345 15.554 6.262 1.00 0.00 O ATOM 0 H GLU A 15 -5.512 12.180 2.506 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.068 13.439 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.321 12.944 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.439 11.536 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.830 13.167 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.476 13.227 5.561 1.00 0.00 H new ATOM 239 N ILE A 16 -2.969 10.146 3.543 1.00 0.00 N ATOM 240 CA ILE A 16 -2.012 9.007 3.589 1.00 0.00 C ATOM 241 C ILE A 16 -1.087 9.071 2.371 1.00 0.00 C ATOM 242 O ILE A 16 0.121 9.017 2.492 1.00 0.00 O ATOM 243 CB ILE A 16 -2.787 7.689 3.569 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.433 7.455 4.938 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.832 6.536 3.253 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.753 6.702 4.758 1.00 0.00 C ATOM 0 H ILE A 16 -3.951 9.892 3.653 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.419 9.067 4.502 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.562 7.737 2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.760 6.883 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.611 8.408 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.386 5.598 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.373 6.701 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.055 6.487 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.213 6.535 5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.426 7.291 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.562 5.742 4.278 1.00 0.00 H new ATOM 258 N GLN A 17 -1.647 9.184 1.196 1.00 0.00 N ATOM 259 CA GLN A 17 -0.802 9.251 -0.030 1.00 0.00 C ATOM 260 C GLN A 17 0.249 10.350 0.137 1.00 0.00 C ATOM 261 O GLN A 17 1.420 10.147 -0.116 1.00 0.00 O ATOM 262 CB GLN A 17 -1.686 9.569 -1.240 1.00 0.00 C ATOM 263 CG GLN A 17 -1.124 8.884 -2.491 1.00 0.00 C ATOM 264 CD GLN A 17 -1.948 7.632 -2.801 1.00 0.00 C ATOM 265 OE1 GLN A 17 -2.847 7.670 -3.617 1.00 0.00 O ATOM 266 NE2 GLN A 17 -1.678 6.517 -2.181 1.00 0.00 N ATOM 0 H GLN A 17 -2.653 9.233 1.033 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.305 8.293 -0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.705 9.230 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.732 10.647 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.152 9.570 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.080 8.615 -2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.923 6.484 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.222 5.677 -2.381 1.00 0.00 H new ATOM 275 N LYS A 18 -0.158 11.515 0.563 1.00 0.00 N ATOM 276 CA LYS A 18 0.819 12.626 0.746 1.00 0.00 C ATOM 277 C LYS A 18 1.956 12.154 1.655 1.00 0.00 C ATOM 278 O LYS A 18 3.119 12.343 1.360 1.00 0.00 O ATOM 279 CB LYS A 18 0.114 13.824 1.387 1.00 0.00 C ATOM 280 CG LYS A 18 0.229 15.041 0.465 1.00 0.00 C ATOM 281 CD LYS A 18 -0.155 16.306 1.237 1.00 0.00 C ATOM 282 CE LYS A 18 -1.674 16.482 1.205 1.00 0.00 C ATOM 283 NZ LYS A 18 -2.133 17.074 2.493 1.00 0.00 N ATOM 0 H LYS A 18 -1.125 11.745 0.792 1.00 0.00 H new ATOM 0 HA LYS A 18 1.225 12.921 -0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.935 13.588 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.561 14.046 2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.247 15.129 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.423 14.918 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.192 16.235 2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.332 17.176 0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.959 17.127 0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.159 15.520 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.618 16.346 3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.313 17.432 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.790 17.857 2.301 1.00 0.00 H new ATOM 297 N GLU A 19 1.628 11.539 2.758 1.00 0.00 N ATOM 298 CA GLU A 19 2.690 11.055 3.685 1.00 0.00 C ATOM 299 C GLU A 19 3.637 10.121 2.931 1.00 0.00 C ATOM 300 O GLU A 19 4.782 10.446 2.692 1.00 0.00 O ATOM 301 CB GLU A 19 2.046 10.300 4.849 1.00 0.00 C ATOM 302 CG GLU A 19 1.811 11.262 6.015 1.00 0.00 C ATOM 303 CD GLU A 19 3.128 11.499 6.755 1.00 0.00 C ATOM 304 OE1 GLU A 19 4.082 11.907 6.113 1.00 0.00 O ATOM 305 OE2 GLU A 19 3.160 11.272 7.954 1.00 0.00 O ATOM 0 H GLU A 19 0.671 11.351 3.057 1.00 0.00 H new ATOM 0 HA GLU A 19 3.251 11.906 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.101 9.859 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.690 9.480 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.414 12.208 5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.068 10.849 6.697 1.00 0.00 H new ATOM 312 N GLU A 20 3.168 8.964 2.551 1.00 0.00 N ATOM 313 CA GLU A 20 4.046 8.016 1.810 1.00 0.00 C ATOM 314 C GLU A 20 4.835 8.787 0.750 1.00 0.00 C ATOM 315 O GLU A 20 6.046 8.863 0.795 1.00 0.00 O ATOM 316 CB GLU A 20 3.189 6.946 1.131 1.00 0.00 C ATOM 317 CG GLU A 20 2.833 5.859 2.145 1.00 0.00 C ATOM 318 CD GLU A 20 2.092 4.722 1.438 1.00 0.00 C ATOM 319 OE1 GLU A 20 2.382 4.484 0.276 1.00 0.00 O ATOM 320 OE2 GLU A 20 1.247 4.109 2.070 1.00 0.00 O ATOM 0 H GLU A 20 2.218 8.635 2.721 1.00 0.00 H new ATOM 0 HA GLU A 20 4.735 7.537 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.281 7.394 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.730 6.511 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.738 5.478 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.210 6.276 2.937 1.00 0.00 H new ATOM 327 N THR A 21 4.154 9.364 -0.202 1.00 0.00 N ATOM 328 CA THR A 21 4.861 10.133 -1.263 1.00 0.00 C ATOM 329 C THR A 21 6.023 10.909 -0.638 1.00 0.00 C ATOM 330 O THR A 21 7.178 10.632 -0.896 1.00 0.00 O ATOM 331 CB THR A 21 3.885 11.114 -1.915 1.00 0.00 C ATOM 332 OG1 THR A 21 2.667 10.443 -2.206 1.00 0.00 O ATOM 333 CG2 THR A 21 4.490 11.655 -3.211 1.00 0.00 C ATOM 0 H THR A 21 3.138 9.336 -0.290 1.00 0.00 H new ATOM 0 HA THR A 21 5.245 9.447 -2.018 1.00 0.00 H new ATOM 0 HB THR A 21 3.693 11.942 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.023 10.606 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.793 12.354 -3.674 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.425 12.169 -2.989 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.683 10.829 -3.895 1.00 0.00 H new ATOM 341 N ARG A 22 5.727 11.877 0.186 1.00 0.00 N ATOM 342 CA ARG A 22 6.814 12.667 0.826 1.00 0.00 C ATOM 343 C ARG A 22 7.969 11.734 1.194 1.00 0.00 C ATOM 344 O ARG A 22 9.117 12.003 0.896 1.00 0.00 O ATOM 345 CB ARG A 22 6.277 13.339 2.093 1.00 0.00 C ATOM 346 CG ARG A 22 7.274 14.395 2.574 1.00 0.00 C ATOM 347 CD ARG A 22 6.605 15.771 2.568 1.00 0.00 C ATOM 348 NE ARG A 22 5.616 15.846 3.679 1.00 0.00 N ATOM 349 CZ ARG A 22 5.147 17.004 4.059 1.00 0.00 C ATOM 350 NH1 ARG A 22 5.545 18.095 3.465 1.00 0.00 N ATOM 351 NH2 ARG A 22 4.282 17.069 5.033 1.00 0.00 N ATOM 0 H ARG A 22 4.780 12.154 0.443 1.00 0.00 H new ATOM 0 HA ARG A 22 7.168 13.430 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.311 13.802 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.116 12.594 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.621 14.152 3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.151 14.403 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.356 16.553 2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.109 15.942 1.613 1.00 0.00 H new ATOM 0 HE ARG A 22 5.305 14.993 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.222 18.043 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.179 19.000 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.972 16.216 5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.915 17.973 5.330 1.00 0.00 H new ATOM 365 N ASP A 23 7.675 10.638 1.837 1.00 0.00 N ATOM 366 CA ASP A 23 8.754 9.686 2.223 1.00 0.00 C ATOM 367 C ASP A 23 9.541 9.274 0.977 1.00 0.00 C ATOM 368 O ASP A 23 10.748 9.405 0.922 1.00 0.00 O ATOM 369 CB ASP A 23 8.131 8.445 2.865 1.00 0.00 C ATOM 370 CG ASP A 23 9.090 7.872 3.911 1.00 0.00 C ATOM 371 OD1 ASP A 23 9.207 8.469 4.967 1.00 0.00 O ATOM 372 OD2 ASP A 23 9.690 6.846 3.637 1.00 0.00 O ATOM 0 H ASP A 23 6.733 10.360 2.112 1.00 0.00 H new ATOM 0 HA ASP A 23 9.426 10.166 2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.180 8.703 3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.919 7.696 2.102 1.00 0.00 H new ATOM 377 N ILE A 24 8.868 8.777 -0.024 1.00 0.00 N ATOM 378 CA ILE A 24 9.578 8.358 -1.265 1.00 0.00 C ATOM 379 C ILE A 24 10.341 9.551 -1.843 1.00 0.00 C ATOM 380 O ILE A 24 11.553 9.553 -1.909 1.00 0.00 O ATOM 381 CB ILE A 24 8.557 7.858 -2.291 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.831 6.632 -1.728 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.275 7.475 -3.587 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.743 6.187 -2.706 1.00 0.00 C ATOM 0 H ILE A 24 7.857 8.643 -0.036 1.00 0.00 H new ATOM 0 HA ILE A 24 10.280 7.558 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 24 7.835 8.648 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.540 5.821 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.389 6.871 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.546 7.120 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.793 8.347 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.998 6.686 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.227 5.315 -2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.028 6.997 -2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.197 5.931 -3.663 1.00 0.00 H new ATOM 396 N ILE A 25 9.638 10.568 -2.261 1.00 0.00 N ATOM 397 CA ILE A 25 10.321 11.762 -2.834 1.00 0.00 C ATOM 398 C ILE A 25 11.565 12.089 -2.005 1.00 0.00 C ATOM 399 O ILE A 25 12.630 12.332 -2.536 1.00 0.00 O ATOM 400 CB ILE A 25 9.363 12.956 -2.807 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.019 12.542 -3.413 1.00 0.00 C ATOM 402 CG2 ILE A 25 9.957 14.111 -3.617 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.259 11.798 -4.728 1.00 0.00 C ATOM 0 H ILE A 25 8.620 10.623 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 25 10.616 11.553 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 25 9.214 13.279 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.475 11.904 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.401 13.422 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.273 14.960 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.913 14.405 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.108 13.792 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.302 11.503 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.785 12.451 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.861 10.909 -4.539 1.00 0.00 H new ATOM 415 N GLN A 26 11.437 12.101 -0.706 1.00 0.00 N ATOM 416 CA GLN A 26 12.610 12.416 0.157 1.00 0.00 C ATOM 417 C GLN A 26 13.743 11.427 -0.129 1.00 0.00 C ATOM 418 O GLN A 26 14.895 11.801 -0.225 1.00 0.00 O ATOM 419 CB GLN A 26 12.201 12.308 1.628 1.00 0.00 C ATOM 420 CG GLN A 26 11.231 13.440 1.975 1.00 0.00 C ATOM 421 CD GLN A 26 12.022 14.698 2.334 1.00 0.00 C ATOM 422 OE1 GLN A 26 13.147 14.864 1.908 1.00 0.00 O ATOM 423 NE2 GLN A 26 11.477 15.599 3.106 1.00 0.00 N ATOM 0 H GLN A 26 10.570 11.906 -0.205 1.00 0.00 H new ATOM 0 HA GLN A 26 12.953 13.429 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.731 11.342 1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.083 12.363 2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.572 13.641 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.596 13.146 2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.532 15.460 3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.996 16.442 3.351 1.00 0.00 H new ATOM 432 N ALA A 27 13.429 10.168 -0.262 1.00 0.00 N ATOM 433 CA ALA A 27 14.490 9.158 -0.537 1.00 0.00 C ATOM 434 C ALA A 27 15.154 9.460 -1.883 1.00 0.00 C ATOM 435 O ALA A 27 16.360 9.405 -2.017 1.00 0.00 O ATOM 436 CB ALA A 27 13.866 7.762 -0.580 1.00 0.00 C ATOM 0 H ALA A 27 12.482 9.794 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 27 15.240 9.199 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.641 7.023 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.397 7.544 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.115 7.723 -1.369 1.00 0.00 H new ATOM 442 N LEU A 28 14.376 9.776 -2.882 1.00 0.00 N ATOM 443 CA LEU A 28 14.965 10.075 -4.218 1.00 0.00 C ATOM 444 C LEU A 28 15.907 11.277 -4.110 1.00 0.00 C ATOM 445 O LEU A 28 17.045 11.223 -4.531 1.00 0.00 O ATOM 446 CB LEU A 28 13.844 10.389 -5.211 1.00 0.00 C ATOM 447 CG LEU A 28 13.069 9.107 -5.524 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.625 9.459 -5.883 1.00 0.00 C ATOM 449 CD2 LEU A 28 13.728 8.390 -6.706 1.00 0.00 C ATOM 0 H LEU A 28 13.359 9.840 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 28 15.527 9.209 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.173 11.140 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.261 10.808 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 28 13.077 8.454 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.073 8.546 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.156 9.971 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.616 10.111 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.177 7.477 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.719 9.043 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.758 8.139 -6.451 1.00 0.00 H new ATOM 461 N LEU A 29 15.444 12.362 -3.550 1.00 0.00 N ATOM 462 CA LEU A 29 16.319 13.561 -3.419 1.00 0.00 C ATOM 463 C LEU A 29 17.589 13.186 -2.651 1.00 0.00 C ATOM 464 O LEU A 29 18.690 13.377 -3.124 1.00 0.00 O ATOM 465 CB LEU A 29 15.572 14.661 -2.661 1.00 0.00 C ATOM 466 CG LEU A 29 15.086 15.727 -3.646 1.00 0.00 C ATOM 467 CD1 LEU A 29 14.334 16.820 -2.886 1.00 0.00 C ATOM 468 CD2 LEU A 29 16.289 16.345 -4.364 1.00 0.00 C ATOM 0 H LEU A 29 14.500 12.469 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 29 16.587 13.922 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.725 14.235 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.227 15.112 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 29 14.421 15.268 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.988 17.579 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.477 16.383 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.000 17.279 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.943 17.104 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.954 16.803 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.828 15.568 -4.907 1.00 0.00 H new ATOM 480 N GLU A 30 17.441 12.652 -1.469 1.00 0.00 N ATOM 481 CA GLU A 30 18.640 12.266 -0.672 1.00 0.00 C ATOM 482 C GLU A 30 19.589 11.443 -1.546 1.00 0.00 C ATOM 483 O GLU A 30 20.787 11.443 -1.349 1.00 0.00 O ATOM 484 CB GLU A 30 18.203 11.429 0.533 1.00 0.00 C ATOM 485 CG GLU A 30 19.427 11.083 1.384 1.00 0.00 C ATOM 486 CD GLU A 30 18.980 10.756 2.810 1.00 0.00 C ATOM 487 OE1 GLU A 30 18.230 9.806 2.971 1.00 0.00 O ATOM 488 OE2 GLU A 30 19.395 11.460 3.716 1.00 0.00 O ATOM 0 H GLU A 30 16.543 12.467 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 30 19.151 13.164 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.477 11.982 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.711 10.516 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.955 10.232 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 30 20.125 11.920 1.393 1.00 0.00 H new ATOM 495 N ASP A 31 19.061 10.741 -2.512 1.00 0.00 N ATOM 496 CA ASP A 31 19.931 9.921 -3.399 1.00 0.00 C ATOM 497 C ASP A 31 20.712 10.841 -4.338 1.00 0.00 C ATOM 498 O ASP A 31 21.706 10.453 -4.920 1.00 0.00 O ATOM 499 CB ASP A 31 19.063 8.969 -4.224 1.00 0.00 C ATOM 500 CG ASP A 31 19.946 7.893 -4.859 1.00 0.00 C ATOM 501 OD1 ASP A 31 20.490 7.089 -4.121 1.00 0.00 O ATOM 502 OD2 ASP A 31 20.061 7.891 -6.075 1.00 0.00 O ATOM 0 H ASP A 31 18.064 10.701 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 31 20.629 9.344 -2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.308 8.506 -3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 31 18.533 9.523 -4.999 1.00 0.00 H new ATOM 507 N GLY A 32 20.271 12.060 -4.493 1.00 0.00 N ATOM 508 CA GLY A 32 20.989 13.003 -5.396 1.00 0.00 C ATOM 509 C GLY A 32 20.608 12.708 -6.848 1.00 0.00 C ATOM 510 O GLY A 32 21.425 12.785 -7.743 1.00 0.00 O ATOM 0 H GLY A 32 19.445 12.443 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.732 14.032 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.066 12.901 -5.264 1.00 0.00 H new ATOM 514 N SER A 33 19.370 12.372 -7.088 1.00 0.00 N ATOM 515 CA SER A 33 18.935 12.072 -8.481 1.00 0.00 C ATOM 516 C SER A 33 19.144 13.307 -9.357 1.00 0.00 C ATOM 517 O SER A 33 20.100 14.039 -9.197 1.00 0.00 O ATOM 518 CB SER A 33 17.455 11.692 -8.481 1.00 0.00 C ATOM 519 OG SER A 33 16.672 12.857 -8.702 1.00 0.00 O ATOM 0 H SER A 33 18.641 12.292 -6.379 1.00 0.00 H new ATOM 0 HA SER A 33 19.523 11.243 -8.875 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.257 10.954 -9.258 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.185 11.233 -7.530 1.00 0.00 H new ATOM 0 HG SER A 33 15.722 12.617 -8.704 1.00 0.00 H new ATOM 525 N ASP A 34 18.256 13.547 -10.284 1.00 0.00 N ATOM 526 CA ASP A 34 18.405 14.736 -11.169 1.00 0.00 C ATOM 527 C ASP A 34 17.024 15.317 -11.483 1.00 0.00 C ATOM 528 O ASP A 34 16.545 15.232 -12.595 1.00 0.00 O ATOM 529 CB ASP A 34 19.092 14.320 -12.472 1.00 0.00 C ATOM 530 CG ASP A 34 20.083 13.189 -12.191 1.00 0.00 C ATOM 531 OD1 ASP A 34 21.182 13.486 -11.751 1.00 0.00 O ATOM 532 OD2 ASP A 34 19.727 12.045 -12.420 1.00 0.00 O ATOM 0 H ASP A 34 17.434 12.971 -10.466 1.00 0.00 H new ATOM 0 HA ASP A 34 19.009 15.490 -10.664 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.348 13.993 -13.199 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.612 15.172 -12.909 1.00 0.00 H new ATOM 537 N PRO A 35 16.394 15.903 -10.502 1.00 0.00 N ATOM 538 CA PRO A 35 15.042 16.515 -10.660 1.00 0.00 C ATOM 539 C PRO A 35 15.001 17.538 -11.799 1.00 0.00 C ATOM 540 O PRO A 35 13.951 18.027 -12.167 1.00 0.00 O ATOM 541 CB PRO A 35 14.783 17.204 -9.318 1.00 0.00 C ATOM 542 CG PRO A 35 15.697 16.543 -8.339 1.00 0.00 C ATOM 543 CD PRO A 35 16.904 16.047 -9.132 1.00 0.00 C ATOM 0 HA PRO A 35 14.291 15.766 -10.913 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.985 18.273 -9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.741 17.094 -9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.005 17.244 -7.563 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.195 15.714 -7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.731 16.756 -9.086 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.275 15.099 -8.743 1.00 0.00 H new ATOM 551 N ASP A 36 16.134 17.867 -12.357 1.00 0.00 N ATOM 552 CA ASP A 36 16.155 18.861 -13.469 1.00 0.00 C ATOM 553 C ASP A 36 15.842 18.159 -14.792 1.00 0.00 C ATOM 554 O ASP A 36 15.376 18.770 -15.733 1.00 0.00 O ATOM 555 CB ASP A 36 17.541 19.506 -13.551 1.00 0.00 C ATOM 556 CG ASP A 36 17.499 20.677 -14.534 1.00 0.00 C ATOM 557 OD1 ASP A 36 17.290 20.430 -15.710 1.00 0.00 O ATOM 558 OD2 ASP A 36 17.677 21.801 -14.094 1.00 0.00 O ATOM 0 H ASP A 36 17.045 17.492 -12.092 1.00 0.00 H new ATOM 0 HA ASP A 36 15.405 19.629 -13.280 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.851 19.855 -12.566 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.278 18.771 -13.875 1.00 0.00 H new ATOM 563 N ALA A 37 16.094 16.881 -14.874 1.00 0.00 N ATOM 564 CA ALA A 37 15.809 16.148 -16.139 1.00 0.00 C ATOM 565 C ALA A 37 14.356 15.670 -16.136 1.00 0.00 C ATOM 566 O ALA A 37 14.019 14.674 -16.744 1.00 0.00 O ATOM 567 CB ALA A 37 16.742 14.941 -16.253 1.00 0.00 C ATOM 0 H ALA A 37 16.484 16.314 -14.121 1.00 0.00 H new ATOM 0 HA ALA A 37 15.971 16.813 -16.987 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.533 14.405 -17.179 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.778 15.281 -16.257 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.581 14.276 -15.405 1.00 0.00 H new ATOM 573 N LEU A 38 13.490 16.373 -15.458 1.00 0.00 N ATOM 574 CA LEU A 38 12.061 15.955 -15.421 1.00 0.00 C ATOM 575 C LEU A 38 11.971 14.508 -14.930 1.00 0.00 C ATOM 576 O LEU A 38 12.944 13.780 -14.936 1.00 0.00 O ATOM 577 CB LEU A 38 11.467 16.059 -16.829 1.00 0.00 C ATOM 578 CG LEU A 38 10.359 17.115 -16.849 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.158 17.616 -18.281 1.00 0.00 C ATOM 580 CD2 LEU A 38 9.056 16.494 -16.341 1.00 0.00 C ATOM 0 H LEU A 38 13.710 17.217 -14.929 1.00 0.00 H new ATOM 0 HA LEU A 38 11.504 16.603 -14.744 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.246 16.323 -17.544 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.067 15.093 -17.137 1.00 0.00 H new ATOM 0 HG LEU A 38 10.640 17.950 -16.207 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.369 18.368 -18.296 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.086 18.056 -18.646 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.876 16.781 -18.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.266 17.245 -16.354 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.775 15.660 -16.984 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.197 16.134 -15.322 1.00 0.00 H new ATOM 592 N TYR A 39 10.813 14.086 -14.503 1.00 0.00 N ATOM 593 CA TYR A 39 10.667 12.687 -14.011 1.00 0.00 C ATOM 594 C TYR A 39 9.439 12.043 -14.657 1.00 0.00 C ATOM 595 O TYR A 39 8.626 12.708 -15.268 1.00 0.00 O ATOM 596 CB TYR A 39 10.497 12.696 -12.488 1.00 0.00 C ATOM 597 CG TYR A 39 11.631 11.933 -11.846 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.942 12.413 -11.946 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.371 10.747 -11.150 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.993 11.706 -11.351 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.422 10.041 -10.555 1.00 0.00 C ATOM 602 CZ TYR A 39 13.733 10.520 -10.655 1.00 0.00 C ATOM 603 OH TYR A 39 14.770 9.823 -10.068 1.00 0.00 O ATOM 0 H TYR A 39 9.963 14.648 -14.473 1.00 0.00 H new ATOM 0 HA TYR A 39 11.557 12.116 -14.274 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.482 13.722 -12.120 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.542 12.245 -12.216 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.142 13.329 -12.482 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.359 10.377 -11.072 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.005 12.076 -11.429 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.221 9.126 -10.018 1.00 0.00 H new ATOM 0 HH TYR A 39 14.900 10.141 -9.150 1.00 0.00 H new ATOM 613 N GLU A 40 9.299 10.753 -14.526 1.00 0.00 N ATOM 614 CA GLU A 40 8.123 10.065 -15.130 1.00 0.00 C ATOM 615 C GLU A 40 7.359 9.309 -14.041 1.00 0.00 C ATOM 616 O GLU A 40 7.914 8.490 -13.334 1.00 0.00 O ATOM 617 CB GLU A 40 8.601 9.074 -16.193 1.00 0.00 C ATOM 618 CG GLU A 40 7.539 7.993 -16.398 1.00 0.00 C ATOM 619 CD GLU A 40 7.638 7.440 -17.822 1.00 0.00 C ATOM 620 OE1 GLU A 40 7.595 8.233 -18.748 1.00 0.00 O ATOM 621 OE2 GLU A 40 7.754 6.234 -17.960 1.00 0.00 O ATOM 0 H GLU A 40 9.948 10.145 -14.027 1.00 0.00 H new ATOM 0 HA GLU A 40 7.468 10.805 -15.589 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.791 9.595 -17.132 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.543 8.620 -15.885 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.679 7.190 -15.675 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.546 8.408 -16.226 1.00 0.00 H new ATOM 628 N ILE A 41 6.089 9.573 -13.901 1.00 0.00 N ATOM 629 CA ILE A 41 5.293 8.864 -12.861 1.00 0.00 C ATOM 630 C ILE A 41 4.415 7.804 -13.529 1.00 0.00 C ATOM 631 O ILE A 41 4.067 7.916 -14.688 1.00 0.00 O ATOM 632 CB ILE A 41 4.410 9.869 -12.118 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.244 10.591 -11.058 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.255 9.129 -11.439 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.186 11.588 -11.737 1.00 0.00 C ATOM 0 H ILE A 41 5.569 10.248 -14.461 1.00 0.00 H new ATOM 0 HA ILE A 41 5.966 8.383 -12.151 1.00 0.00 H new ATOM 0 HB ILE A 41 4.010 10.595 -12.826 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.590 11.112 -10.359 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.819 9.868 -10.479 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.626 9.844 -10.910 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.661 8.612 -12.193 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.654 8.403 -10.731 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.779 12.101 -10.980 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.849 11.056 -12.419 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.601 12.318 -12.296 1.00 0.00 H new ATOM 647 N GLU A 42 4.058 6.775 -12.811 1.00 0.00 N ATOM 648 CA GLU A 42 3.206 5.710 -13.410 1.00 0.00 C ATOM 649 C GLU A 42 2.066 5.364 -12.450 1.00 0.00 C ATOM 650 O GLU A 42 2.288 4.923 -11.340 1.00 0.00 O ATOM 651 CB GLU A 42 4.056 4.462 -13.665 1.00 0.00 C ATOM 652 CG GLU A 42 3.302 3.508 -14.592 1.00 0.00 C ATOM 653 CD GLU A 42 4.297 2.562 -15.266 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.236 3.054 -15.871 1.00 0.00 O ATOM 655 OE2 GLU A 42 4.104 1.362 -15.166 1.00 0.00 O ATOM 0 H GLU A 42 4.319 6.626 -11.836 1.00 0.00 H new ATOM 0 HA GLU A 42 2.789 6.066 -14.352 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.009 4.744 -14.114 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.283 3.965 -12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.567 2.937 -14.024 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.753 4.073 -15.345 1.00 0.00 H new ATOM 662 N HIS A 43 0.848 5.560 -12.871 1.00 0.00 N ATOM 663 CA HIS A 43 -0.308 5.243 -11.984 1.00 0.00 C ATOM 664 C HIS A 43 -0.925 3.911 -12.412 1.00 0.00 C ATOM 665 O HIS A 43 -0.851 3.520 -13.558 1.00 0.00 O ATOM 666 CB HIS A 43 -1.356 6.351 -12.098 1.00 0.00 C ATOM 667 CG HIS A 43 -0.675 7.691 -12.072 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.727 8.526 -10.963 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.078 8.356 -13.008 1.00 0.00 C ATOM 670 CE1 HIS A 43 -0.025 9.636 -11.257 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.484 9.581 -12.489 1.00 0.00 N ATOM 0 H HIS A 43 0.602 5.926 -13.791 1.00 0.00 H new ATOM 0 HA HIS A 43 0.033 5.171 -10.951 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.922 6.237 -13.023 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.069 6.278 -11.277 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.318 7.986 -13.994 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.109 10.467 -10.580 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.052 10.289 -12.953 1.00 0.00 H new ATOM 679 N HIS A 44 -1.538 3.212 -11.496 1.00 0.00 N ATOM 680 CA HIS A 44 -2.161 1.906 -11.850 1.00 0.00 C ATOM 681 C HIS A 44 -3.644 1.935 -11.478 1.00 0.00 C ATOM 682 O HIS A 44 -4.011 2.290 -10.375 1.00 0.00 O ATOM 683 CB HIS A 44 -1.462 0.784 -11.081 1.00 0.00 C ATOM 684 CG HIS A 44 -1.210 -0.376 -12.005 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.012 -1.030 -12.056 1.00 0.00 N ATOM 686 CD2 HIS A 44 -2.014 -1.009 -12.923 1.00 0.00 C ATOM 687 CE1 HIS A 44 -0.088 -2.009 -12.973 1.00 0.00 C ATOM 688 NE2 HIS A 44 -1.301 -2.038 -13.530 1.00 0.00 N ATOM 0 H HIS A 44 -1.634 3.489 -10.519 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.058 1.730 -12.921 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.520 1.144 -10.667 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.079 0.466 -10.240 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.837 -0.809 -11.499 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.039 -0.748 -13.139 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.713 -2.687 -13.227 1.00 0.00 H new ATOM 696 N LEU A 45 -4.501 1.563 -12.389 1.00 0.00 N ATOM 697 CA LEU A 45 -5.960 1.570 -12.086 1.00 0.00 C ATOM 698 C LEU A 45 -6.621 0.354 -12.736 1.00 0.00 C ATOM 699 O LEU A 45 -6.324 0.002 -13.860 1.00 0.00 O ATOM 700 CB LEU A 45 -6.591 2.848 -12.640 1.00 0.00 C ATOM 701 CG LEU A 45 -6.038 4.058 -11.887 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.740 4.525 -12.549 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.065 5.192 -11.926 1.00 0.00 C ATOM 0 H LEU A 45 -4.254 1.255 -13.329 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.106 1.531 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.377 2.940 -13.705 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.675 2.806 -12.536 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.837 3.781 -10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.347 5.388 -12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.008 3.718 -12.524 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.939 4.803 -13.584 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.673 6.056 -11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.264 5.467 -12.962 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.990 4.861 -11.454 1.00 0.00 H new ATOM 715 N PHE A 46 -7.516 -0.290 -12.040 1.00 0.00 N ATOM 716 CA PHE A 46 -8.191 -1.481 -12.625 1.00 0.00 C ATOM 717 C PHE A 46 -9.707 -1.297 -12.555 1.00 0.00 C ATOM 718 O PHE A 46 -10.205 -0.371 -11.947 1.00 0.00 O ATOM 719 CB PHE A 46 -7.794 -2.736 -11.843 1.00 0.00 C ATOM 720 CG PHE A 46 -7.064 -2.340 -10.581 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.828 -1.685 -10.663 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.620 -2.632 -9.330 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.150 -1.322 -9.493 1.00 0.00 C ATOM 724 CE2 PHE A 46 -6.941 -2.268 -8.160 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.706 -1.614 -8.242 1.00 0.00 C ATOM 0 H PHE A 46 -7.808 -0.044 -11.094 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.885 -1.591 -13.665 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.682 -3.317 -11.594 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.158 -3.373 -12.458 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.399 -1.460 -11.628 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.572 -3.138 -9.267 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.198 -0.817 -9.556 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.370 -2.492 -7.195 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.182 -1.335 -7.340 1.00 0.00 H new ATOM 735 N ALA A 47 -10.443 -2.176 -13.176 1.00 0.00 N ATOM 736 CA ALA A 47 -11.927 -2.058 -13.150 1.00 0.00 C ATOM 737 C ALA A 47 -12.548 -3.441 -13.359 1.00 0.00 C ATOM 738 O ALA A 47 -11.863 -4.402 -13.644 1.00 0.00 O ATOM 739 CB ALA A 47 -12.383 -1.119 -14.268 1.00 0.00 C ATOM 0 H ALA A 47 -10.080 -2.972 -13.701 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.245 -1.657 -12.188 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.469 -1.032 -14.250 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.938 -0.135 -14.121 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.067 -1.520 -15.231 1.00 0.00 H new ATOM 745 N GLU A 48 -13.841 -3.548 -13.218 1.00 0.00 N ATOM 746 CA GLU A 48 -14.501 -4.870 -13.407 1.00 0.00 C ATOM 747 C GLU A 48 -15.385 -4.821 -14.656 1.00 0.00 C ATOM 748 O GLU A 48 -15.683 -5.833 -15.258 1.00 0.00 O ATOM 749 CB GLU A 48 -15.360 -5.191 -12.183 1.00 0.00 C ATOM 750 CG GLU A 48 -14.608 -4.784 -10.915 1.00 0.00 C ATOM 751 CD GLU A 48 -15.109 -3.419 -10.440 1.00 0.00 C ATOM 752 OE1 GLU A 48 -16.314 -3.232 -10.404 1.00 0.00 O ATOM 753 OE2 GLU A 48 -14.280 -2.583 -10.121 1.00 0.00 O ATOM 0 H GLU A 48 -14.467 -2.779 -12.981 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.742 -5.643 -13.528 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.310 -4.660 -12.242 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.591 -6.256 -12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.759 -5.530 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.537 -4.741 -11.113 1.00 0.00 H new ATOM 760 N ASP A 49 -15.805 -3.650 -15.050 1.00 0.00 N ATOM 761 CA ASP A 49 -16.666 -3.535 -16.260 1.00 0.00 C ATOM 762 C ASP A 49 -15.819 -3.047 -17.438 1.00 0.00 C ATOM 763 O ASP A 49 -15.661 -1.862 -17.652 1.00 0.00 O ATOM 764 CB ASP A 49 -17.793 -2.535 -15.991 1.00 0.00 C ATOM 765 CG ASP A 49 -19.143 -3.249 -16.066 1.00 0.00 C ATOM 766 OD1 ASP A 49 -19.414 -3.855 -17.089 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.883 -3.178 -15.098 1.00 0.00 O ATOM 0 H ASP A 49 -15.589 -2.768 -14.586 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.096 -4.508 -16.498 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.664 -2.083 -15.008 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.757 -1.726 -16.721 1.00 0.00 H new ATOM 772 N PHE A 50 -15.271 -3.952 -18.204 1.00 0.00 N ATOM 773 CA PHE A 50 -14.434 -3.537 -19.364 1.00 0.00 C ATOM 774 C PHE A 50 -15.039 -2.287 -20.009 1.00 0.00 C ATOM 775 O PHE A 50 -14.339 -1.360 -20.365 1.00 0.00 O ATOM 776 CB PHE A 50 -14.377 -4.679 -20.386 1.00 0.00 C ATOM 777 CG PHE A 50 -15.499 -4.530 -21.387 1.00 0.00 C ATOM 778 CD1 PHE A 50 -16.830 -4.670 -20.973 1.00 0.00 C ATOM 779 CD2 PHE A 50 -15.208 -4.253 -22.728 1.00 0.00 C ATOM 780 CE1 PHE A 50 -17.869 -4.532 -21.900 1.00 0.00 C ATOM 781 CE2 PHE A 50 -16.248 -4.116 -23.656 1.00 0.00 C ATOM 782 CZ PHE A 50 -17.578 -4.255 -23.241 1.00 0.00 C ATOM 0 H PHE A 50 -15.367 -4.959 -18.076 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.423 -3.310 -19.025 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -13.416 -4.671 -20.900 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -14.458 -5.639 -19.876 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -17.054 -4.884 -19.938 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -14.182 -4.145 -23.047 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -18.895 -4.639 -21.581 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -16.024 -3.903 -24.691 1.00 0.00 H new ATOM 0 HZ PHE A 50 -18.380 -4.148 -23.956 1.00 0.00 H new ATOM 792 N ASP A 51 -16.335 -2.254 -20.160 1.00 0.00 N ATOM 793 CA ASP A 51 -16.981 -1.062 -20.779 1.00 0.00 C ATOM 794 C ASP A 51 -16.574 0.194 -20.007 1.00 0.00 C ATOM 795 O ASP A 51 -15.876 1.050 -20.514 1.00 0.00 O ATOM 796 CB ASP A 51 -18.502 -1.224 -20.725 1.00 0.00 C ATOM 797 CG ASP A 51 -19.161 -0.152 -21.595 1.00 0.00 C ATOM 798 OD1 ASP A 51 -18.440 0.665 -22.143 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.377 -0.165 -21.697 1.00 0.00 O ATOM 0 H ASP A 51 -16.973 -2.999 -19.882 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.661 -0.970 -21.817 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.785 -2.216 -21.075 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.851 -1.138 -19.696 1.00 0.00 H new ATOM 804 N LYS A 52 -17.002 0.311 -18.779 1.00 0.00 N ATOM 805 CA LYS A 52 -16.637 1.511 -17.975 1.00 0.00 C ATOM 806 C LYS A 52 -15.121 1.711 -18.026 1.00 0.00 C ATOM 807 O LYS A 52 -14.631 2.822 -17.994 1.00 0.00 O ATOM 808 CB LYS A 52 -17.077 1.306 -16.523 1.00 0.00 C ATOM 809 CG LYS A 52 -16.668 2.521 -15.687 1.00 0.00 C ATOM 810 CD LYS A 52 -17.910 3.146 -15.049 1.00 0.00 C ATOM 811 CE LYS A 52 -18.770 3.797 -16.134 1.00 0.00 C ATOM 812 NZ LYS A 52 -19.105 5.191 -15.730 1.00 0.00 N ATOM 0 H LYS A 52 -17.588 -0.372 -18.299 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.135 2.390 -18.383 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.157 1.166 -16.476 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.621 0.403 -16.118 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.961 2.222 -14.913 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.162 3.254 -16.315 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.485 2.383 -14.524 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.616 3.890 -14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.235 3.801 -17.084 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.683 3.221 -16.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.267 5.769 -16.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.965 5.186 -15.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.317 5.593 -15.183 1.00 0.00 H new ATOM 826 N LEU A 53 -14.374 0.643 -18.106 1.00 0.00 N ATOM 827 CA LEU A 53 -12.891 0.773 -18.160 1.00 0.00 C ATOM 828 C LEU A 53 -12.497 1.619 -19.372 1.00 0.00 C ATOM 829 O LEU A 53 -11.763 2.578 -19.260 1.00 0.00 O ATOM 830 CB LEU A 53 -12.263 -0.617 -18.281 1.00 0.00 C ATOM 831 CG LEU A 53 -10.802 -0.562 -17.831 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.242 -1.983 -17.739 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.987 0.240 -18.848 1.00 0.00 C ATOM 0 H LEU A 53 -14.727 -0.313 -18.136 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.534 1.255 -17.250 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.815 -1.331 -17.670 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.323 -0.966 -19.312 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.741 -0.083 -16.854 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.201 -1.944 -17.418 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.823 -2.557 -17.017 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.303 -2.462 -18.716 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.945 0.280 -18.529 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.049 -0.241 -19.824 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.385 1.252 -18.916 1.00 0.00 H new ATOM 845 N GLU A 54 -12.980 1.266 -20.533 1.00 0.00 N ATOM 846 CA GLU A 54 -12.634 2.045 -21.756 1.00 0.00 C ATOM 847 C GLU A 54 -13.035 3.511 -21.565 1.00 0.00 C ATOM 848 O GLU A 54 -12.375 4.412 -22.041 1.00 0.00 O ATOM 849 CB GLU A 54 -13.385 1.466 -22.957 1.00 0.00 C ATOM 850 CG GLU A 54 -13.029 -0.014 -23.118 1.00 0.00 C ATOM 851 CD GLU A 54 -13.803 -0.599 -24.301 1.00 0.00 C ATOM 852 OE1 GLU A 54 -14.997 -0.362 -24.379 1.00 0.00 O ATOM 853 OE2 GLU A 54 -13.188 -1.275 -25.110 1.00 0.00 O ATOM 0 H GLU A 54 -13.600 0.471 -20.687 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.560 1.984 -21.931 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.460 1.579 -22.816 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.123 2.014 -23.862 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.957 -0.126 -23.280 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.272 -0.559 -22.206 1.00 0.00 H new ATOM 860 N LYS A 55 -14.117 3.756 -20.877 1.00 0.00 N ATOM 861 CA LYS A 55 -14.563 5.162 -20.664 1.00 0.00 C ATOM 862 C LYS A 55 -13.509 5.930 -19.861 1.00 0.00 C ATOM 863 O LYS A 55 -12.866 6.830 -20.365 1.00 0.00 O ATOM 864 CB LYS A 55 -15.888 5.165 -19.898 1.00 0.00 C ATOM 865 CG LYS A 55 -17.043 4.939 -20.875 1.00 0.00 C ATOM 866 CD LYS A 55 -17.450 6.274 -21.505 1.00 0.00 C ATOM 867 CE LYS A 55 -17.683 6.080 -23.005 1.00 0.00 C ATOM 868 NZ LYS A 55 -18.294 7.314 -23.577 1.00 0.00 N ATOM 0 H LYS A 55 -14.711 3.043 -20.453 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.697 5.645 -21.632 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.883 4.384 -19.138 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.018 6.114 -19.378 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.744 4.235 -21.651 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.892 4.497 -20.354 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.356 6.651 -21.031 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.671 7.019 -21.340 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.739 5.863 -23.505 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.338 5.225 -23.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.452 7.182 -24.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.202 7.502 -23.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.654 8.120 -23.427 1.00 0.00 H new ATOM 882 N ALA A 56 -13.334 5.592 -18.613 1.00 0.00 N ATOM 883 CA ALA A 56 -12.331 6.312 -17.775 1.00 0.00 C ATOM 884 C ALA A 56 -10.948 6.241 -18.429 1.00 0.00 C ATOM 885 O ALA A 56 -10.083 7.049 -18.154 1.00 0.00 O ATOM 886 CB ALA A 56 -12.269 5.668 -16.390 1.00 0.00 C ATOM 0 H ALA A 56 -13.842 4.848 -18.136 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.629 7.356 -17.684 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.537 6.193 -15.777 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.249 5.729 -15.916 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.977 4.622 -16.488 1.00 0.00 H new ATOM 892 N ALA A 57 -10.726 5.284 -19.286 1.00 0.00 N ATOM 893 CA ALA A 57 -9.390 5.173 -19.942 1.00 0.00 C ATOM 894 C ALA A 57 -9.279 6.209 -21.065 1.00 0.00 C ATOM 895 O ALA A 57 -8.328 6.962 -21.134 1.00 0.00 O ATOM 896 CB ALA A 57 -9.219 3.771 -20.528 1.00 0.00 C ATOM 0 H ALA A 57 -11.407 4.576 -19.561 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.612 5.355 -19.201 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.243 3.693 -21.006 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.292 3.032 -19.730 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.000 3.587 -21.266 1.00 0.00 H new ATOM 902 N VAL A 58 -10.239 6.246 -21.948 1.00 0.00 N ATOM 903 CA VAL A 58 -10.184 7.227 -23.068 1.00 0.00 C ATOM 904 C VAL A 58 -10.126 8.651 -22.510 1.00 0.00 C ATOM 905 O VAL A 58 -9.603 9.551 -23.136 1.00 0.00 O ATOM 906 CB VAL A 58 -11.431 7.069 -23.940 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.714 8.382 -24.673 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.198 5.955 -24.964 1.00 0.00 C ATOM 0 H VAL A 58 -11.059 5.639 -21.942 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.292 7.042 -23.667 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.283 6.814 -23.310 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.603 8.268 -25.294 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.879 9.177 -23.945 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.862 8.638 -25.303 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.086 5.841 -25.586 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.345 6.211 -25.592 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.997 5.019 -24.444 1.00 0.00 H new ATOM 918 N GLU A 59 -10.657 8.866 -21.337 1.00 0.00 N ATOM 919 CA GLU A 59 -10.628 10.236 -20.747 1.00 0.00 C ATOM 920 C GLU A 59 -9.215 10.547 -20.251 1.00 0.00 C ATOM 921 O GLU A 59 -8.638 11.562 -20.588 1.00 0.00 O ATOM 922 CB GLU A 59 -11.609 10.310 -19.575 1.00 0.00 C ATOM 923 CG GLU A 59 -11.982 11.772 -19.313 1.00 0.00 C ATOM 924 CD GLU A 59 -13.269 12.114 -20.066 1.00 0.00 C ATOM 925 OE1 GLU A 59 -13.339 11.814 -21.247 1.00 0.00 O ATOM 926 OE2 GLU A 59 -14.162 12.672 -19.450 1.00 0.00 O ATOM 0 H GLU A 59 -11.109 8.154 -20.762 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.916 10.964 -21.506 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.504 9.730 -19.799 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.160 9.873 -18.683 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.119 11.937 -18.244 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.174 12.428 -19.636 1.00 0.00 H new ATOM 933 N ALA A 60 -8.651 9.682 -19.452 1.00 0.00 N ATOM 934 CA ALA A 60 -7.274 9.931 -18.938 1.00 0.00 C ATOM 935 C ALA A 60 -6.315 10.102 -20.117 1.00 0.00 C ATOM 936 O ALA A 60 -5.463 10.969 -20.116 1.00 0.00 O ATOM 937 CB ALA A 60 -6.826 8.745 -18.081 1.00 0.00 C ATOM 0 H ALA A 60 -9.084 8.815 -19.133 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.270 10.837 -18.332 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.819 8.927 -17.705 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.510 8.624 -17.241 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.829 7.838 -18.685 1.00 0.00 H new ATOM 943 N PHE A 61 -6.448 9.284 -21.125 1.00 0.00 N ATOM 944 CA PHE A 61 -5.544 9.401 -22.305 1.00 0.00 C ATOM 945 C PHE A 61 -5.796 10.738 -23.006 1.00 0.00 C ATOM 946 O PHE A 61 -4.885 11.373 -23.500 1.00 0.00 O ATOM 947 CB PHE A 61 -5.824 8.254 -23.277 1.00 0.00 C ATOM 948 CG PHE A 61 -4.955 8.411 -24.502 1.00 0.00 C ATOM 949 CD1 PHE A 61 -3.627 7.965 -24.481 1.00 0.00 C ATOM 950 CD2 PHE A 61 -5.476 9.002 -25.660 1.00 0.00 C ATOM 951 CE1 PHE A 61 -2.821 8.111 -25.616 1.00 0.00 C ATOM 952 CE2 PHE A 61 -4.669 9.149 -26.795 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.342 8.703 -26.773 1.00 0.00 C ATOM 0 H PHE A 61 -7.143 8.540 -21.183 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.506 9.352 -21.976 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.623 7.297 -22.795 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.876 8.253 -23.562 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.225 7.508 -23.589 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.500 9.344 -25.678 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.797 7.767 -25.599 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.070 9.606 -27.687 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.720 8.816 -27.649 1.00 0.00 H new ATOM 963 N LYS A 62 -7.027 11.169 -23.055 1.00 0.00 N ATOM 964 CA LYS A 62 -7.340 12.463 -23.724 1.00 0.00 C ATOM 965 C LYS A 62 -6.888 13.620 -22.832 1.00 0.00 C ATOM 966 O LYS A 62 -6.740 14.741 -23.277 1.00 0.00 O ATOM 967 CB LYS A 62 -8.849 12.558 -23.959 1.00 0.00 C ATOM 968 CG LYS A 62 -9.247 14.021 -24.174 1.00 0.00 C ATOM 969 CD LYS A 62 -10.691 14.087 -24.677 1.00 0.00 C ATOM 970 CE LYS A 62 -11.052 15.535 -25.014 1.00 0.00 C ATOM 971 NZ LYS A 62 -11.558 15.609 -26.415 1.00 0.00 N ATOM 0 H LYS A 62 -7.830 10.680 -22.660 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.818 12.517 -24.679 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.129 11.963 -24.828 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.386 12.147 -23.105 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.150 14.577 -23.241 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.577 14.489 -24.895 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.808 13.458 -25.559 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.370 13.700 -23.917 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.810 15.902 -24.322 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.178 16.175 -24.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.803 16.593 -26.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.821 15.275 -27.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.403 15.010 -26.511 1.00 0.00 H new ATOM 985 N MET A 63 -6.667 13.356 -21.574 1.00 0.00 N ATOM 986 CA MET A 63 -6.222 14.438 -20.650 1.00 0.00 C ATOM 987 C MET A 63 -4.740 14.732 -20.889 1.00 0.00 C ATOM 988 O MET A 63 -4.345 15.864 -21.092 1.00 0.00 O ATOM 989 CB MET A 63 -6.425 13.985 -19.203 1.00 0.00 C ATOM 990 CG MET A 63 -7.006 15.137 -18.383 1.00 0.00 C ATOM 991 SD MET A 63 -6.593 14.901 -16.637 1.00 0.00 S ATOM 992 CE MET A 63 -7.418 13.304 -16.423 1.00 0.00 C ATOM 0 H MET A 63 -6.775 12.437 -21.145 1.00 0.00 H new ATOM 0 HA MET A 63 -6.806 15.340 -20.835 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.096 13.127 -19.170 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.476 13.663 -18.775 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.607 16.087 -18.737 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.088 15.179 -18.510 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.634 13.145 -15.367 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.349 13.297 -16.989 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.768 12.507 -16.784 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.915 13.721 -20.863 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.458 13.938 -21.086 1.00 0.00 C ATOM 1004 C GLY A 64 -1.674 12.757 -20.512 1.00 0.00 C ATOM 1005 O GLY A 64 -0.460 12.723 -20.560 1.00 0.00 O ATOM 0 H GLY A 64 -4.188 12.752 -20.697 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.253 14.041 -22.152 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.140 14.865 -20.610 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.357 11.789 -19.968 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.651 10.609 -19.391 1.00 0.00 C ATOM 1011 C PHE A 65 -1.342 9.608 -20.506 1.00 0.00 C ATOM 1012 O PHE A 65 -1.832 9.726 -21.613 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.546 9.940 -18.346 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.506 10.732 -17.061 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.419 11.772 -16.851 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.556 10.425 -16.079 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -3.383 12.505 -15.658 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.520 11.158 -14.886 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.433 12.198 -14.676 1.00 0.00 C ATOM 0 H PHE A 65 -3.374 11.763 -19.897 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.722 10.935 -18.922 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.570 9.879 -18.715 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.211 8.919 -18.166 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.151 12.009 -17.609 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.851 9.623 -16.242 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.088 13.307 -15.495 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.788 10.921 -14.128 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.405 12.764 -13.756 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.538 8.621 -20.225 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.204 7.611 -21.267 1.00 0.00 C ATOM 1031 C GLU A 66 -0.739 6.245 -20.832 1.00 0.00 C ATOM 1032 O GLU A 66 -0.018 5.425 -20.299 1.00 0.00 O ATOM 1033 CB GLU A 66 1.315 7.542 -21.440 1.00 0.00 C ATOM 1034 CG GLU A 66 1.666 6.478 -22.481 1.00 0.00 C ATOM 1035 CD GLU A 66 2.154 7.158 -23.761 1.00 0.00 C ATOM 1036 OE1 GLU A 66 2.803 8.185 -23.651 1.00 0.00 O ATOM 1037 OE2 GLU A 66 1.871 6.641 -24.829 1.00 0.00 O ATOM 0 H GLU A 66 -0.097 8.470 -19.318 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.660 7.894 -22.216 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.700 8.512 -21.753 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.789 7.304 -20.488 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.438 5.814 -22.092 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.793 5.861 -22.694 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.002 5.998 -21.051 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.592 4.691 -20.645 1.00 0.00 C ATOM 1046 C VAL A 67 -1.810 3.542 -21.284 1.00 0.00 C ATOM 1047 O VAL A 67 -1.416 3.606 -22.432 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.050 4.626 -21.102 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.104 4.525 -22.627 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.721 3.395 -20.489 1.00 0.00 C ATOM 0 H VAL A 67 -2.652 6.647 -21.495 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.541 4.600 -19.560 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.572 5.527 -20.778 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.143 4.479 -22.952 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.625 5.400 -23.067 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.582 3.624 -22.951 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.760 3.347 -20.814 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.198 2.496 -20.814 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.684 3.464 -19.402 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.591 2.488 -20.548 1.00 0.00 N ATOM 1061 CA LEU A 68 -0.845 1.325 -21.102 1.00 0.00 C ATOM 1062 C LEU A 68 -1.755 0.097 -21.079 1.00 0.00 C ATOM 1063 O LEU A 68 -2.498 -0.117 -20.142 1.00 0.00 O ATOM 1064 CB LEU A 68 0.397 1.059 -20.246 1.00 0.00 C ATOM 1065 CG LEU A 68 1.657 1.281 -21.084 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.886 1.246 -20.175 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.771 0.176 -22.136 1.00 0.00 C ATOM 0 H LEU A 68 -1.899 2.382 -19.581 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.536 1.537 -22.126 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.403 1.721 -19.380 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.377 0.038 -19.866 1.00 0.00 H new ATOM 0 HG LEU A 68 1.598 2.250 -21.579 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.784 1.404 -20.772 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.806 2.032 -19.424 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.945 0.277 -19.680 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.669 0.334 -22.734 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.830 -0.793 -21.641 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.895 0.199 -22.784 1.00 0.00 H new ATOM 1079 N GLU A 69 -1.710 -0.710 -22.102 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.581 -1.917 -22.128 1.00 0.00 C ATOM 1081 C GLU A 69 -2.581 -2.576 -20.749 1.00 0.00 C ATOM 1082 O GLU A 69 -1.616 -2.501 -20.014 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.060 -2.906 -23.171 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.610 -2.532 -24.549 1.00 0.00 C ATOM 1085 CD GLU A 69 -1.797 -3.239 -25.635 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -0.772 -2.704 -26.021 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -2.214 -4.304 -26.060 1.00 0.00 O ATOM 0 H GLU A 69 -1.110 -0.587 -22.918 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.598 -1.623 -22.389 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.970 -2.893 -23.187 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.363 -3.920 -22.910 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.659 -2.817 -24.623 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.562 -1.452 -24.690 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.658 -3.216 -20.389 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.725 -3.874 -19.055 1.00 0.00 C ATOM 1096 C ALA A 70 -3.347 -5.350 -19.186 1.00 0.00 C ATOM 1097 O ALA A 70 -3.129 -5.853 -20.271 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.146 -3.761 -18.504 1.00 0.00 C ATOM 0 H ALA A 70 -4.496 -3.312 -20.962 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.028 -3.383 -18.376 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.197 -4.242 -17.527 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.415 -2.709 -18.405 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.841 -4.251 -19.186 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.270 -6.046 -18.086 1.00 0.00 N ATOM 1105 CA GLU A 71 -2.907 -7.490 -18.137 1.00 0.00 C ATOM 1106 C GLU A 71 -3.886 -8.291 -17.277 1.00 0.00 C ATOM 1107 O GLU A 71 -3.747 -8.373 -16.073 1.00 0.00 O ATOM 1108 CB GLU A 71 -1.486 -7.676 -17.602 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.153 -6.536 -16.637 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.691 -5.312 -17.431 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -0.278 -5.486 -18.565 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -0.758 -4.220 -16.890 1.00 0.00 O ATOM 0 H GLU A 71 -3.443 -5.676 -17.151 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.956 -7.843 -19.167 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.400 -8.636 -17.092 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.774 -7.689 -18.427 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.029 -6.285 -16.038 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.372 -6.849 -15.944 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.876 -8.883 -17.886 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.864 -9.678 -17.103 1.00 0.00 C ATOM 1121 C GLU A 72 -5.146 -10.407 -15.966 1.00 0.00 C ATOM 1122 O GLU A 72 -4.403 -11.343 -16.186 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.536 -10.701 -18.020 1.00 0.00 C ATOM 1124 CG GLU A 72 -7.458 -9.980 -19.003 1.00 0.00 C ATOM 1125 CD GLU A 72 -8.556 -10.938 -19.470 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -9.009 -11.728 -18.658 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -8.924 -10.866 -20.631 1.00 0.00 O ATOM 0 H GLU A 72 -5.044 -8.851 -18.892 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.619 -9.011 -16.687 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.781 -11.269 -18.564 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.107 -11.416 -17.428 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.902 -9.106 -18.527 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.886 -9.621 -19.858 1.00 0.00 H new ATOM 1134 N THR A 73 -5.364 -9.987 -14.750 1.00 0.00 N ATOM 1135 CA THR A 73 -4.696 -10.656 -13.599 1.00 0.00 C ATOM 1136 C THR A 73 -5.680 -10.764 -12.432 1.00 0.00 C ATOM 1137 O THR A 73 -6.877 -10.854 -12.625 1.00 0.00 O ATOM 1138 CB THR A 73 -3.482 -9.831 -13.167 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.804 -10.503 -12.114 1.00 0.00 O ATOM 1140 CG2 THR A 73 -3.945 -8.456 -12.685 1.00 0.00 C ATOM 0 H THR A 73 -5.976 -9.209 -14.504 1.00 0.00 H new ATOM 0 HA THR A 73 -4.372 -11.654 -13.895 1.00 0.00 H new ATOM 0 HB THR A 73 -2.805 -9.708 -14.013 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.025 -9.976 -11.838 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.080 -7.868 -12.377 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.463 -7.942 -13.495 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.622 -8.576 -11.839 1.00 0.00 H new ATOM 1148 N GLU A 74 -5.188 -10.757 -11.224 1.00 0.00 N ATOM 1149 CA GLU A 74 -6.098 -10.858 -10.048 1.00 0.00 C ATOM 1150 C GLU A 74 -5.562 -9.987 -8.910 1.00 0.00 C ATOM 1151 O GLU A 74 -4.384 -9.694 -8.841 1.00 0.00 O ATOM 1152 CB GLU A 74 -6.172 -12.314 -9.582 1.00 0.00 C ATOM 1153 CG GLU A 74 -4.971 -12.625 -8.686 1.00 0.00 C ATOM 1154 CD GLU A 74 -4.632 -14.113 -8.785 1.00 0.00 C ATOM 1155 OE1 GLU A 74 -4.090 -14.511 -9.802 1.00 0.00 O ATOM 1156 OE2 GLU A 74 -4.921 -14.830 -7.840 1.00 0.00 O ATOM 0 H GLU A 74 -4.195 -10.686 -11.000 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.093 -10.515 -10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.100 -12.486 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.180 -12.983 -10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.113 -12.025 -8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.196 -12.361 -7.653 1.00 0.00 H new ATOM 1163 N ASP A 75 -6.417 -9.570 -8.016 1.00 0.00 N ATOM 1164 CA ASP A 75 -5.956 -8.718 -6.883 1.00 0.00 C ATOM 1165 C ASP A 75 -5.684 -9.597 -5.661 1.00 0.00 C ATOM 1166 O ASP A 75 -5.403 -10.773 -5.780 1.00 0.00 O ATOM 1167 CB ASP A 75 -7.041 -7.693 -6.544 1.00 0.00 C ATOM 1168 CG ASP A 75 -6.421 -6.529 -5.769 1.00 0.00 C ATOM 1169 OD1 ASP A 75 -5.295 -6.171 -6.076 1.00 0.00 O ATOM 1170 OD2 ASP A 75 -7.082 -6.014 -4.882 1.00 0.00 O ATOM 0 H ASP A 75 -7.415 -9.782 -8.021 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.040 -8.199 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.508 -7.327 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.826 -8.162 -5.950 1.00 0.00 H new ATOM 1175 N GLU A 76 -5.765 -9.035 -4.484 1.00 0.00 N ATOM 1176 CA GLU A 76 -5.512 -9.839 -3.255 1.00 0.00 C ATOM 1177 C GLU A 76 -6.798 -10.561 -2.844 1.00 0.00 C ATOM 1178 O GLU A 76 -7.021 -10.840 -1.683 1.00 0.00 O ATOM 1179 CB GLU A 76 -5.059 -8.912 -2.124 1.00 0.00 C ATOM 1180 CG GLU A 76 -4.406 -9.739 -1.013 1.00 0.00 C ATOM 1181 CD GLU A 76 -3.182 -10.468 -1.568 1.00 0.00 C ATOM 1182 OE1 GLU A 76 -2.531 -9.914 -2.440 1.00 0.00 O ATOM 1183 OE2 GLU A 76 -2.915 -11.569 -1.114 1.00 0.00 O ATOM 0 H GLU A 76 -5.995 -8.055 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.733 -10.574 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.353 -8.175 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.912 -8.361 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.112 -9.090 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.121 -10.459 -0.614 1.00 0.00 H new ATOM 1190 N ASP A 77 -7.646 -10.865 -3.788 1.00 0.00 N ATOM 1191 CA ASP A 77 -8.917 -11.569 -3.451 1.00 0.00 C ATOM 1192 C ASP A 77 -9.108 -12.757 -4.396 1.00 0.00 C ATOM 1193 O ASP A 77 -9.812 -13.698 -4.090 1.00 0.00 O ATOM 1194 CB ASP A 77 -10.092 -10.601 -3.602 1.00 0.00 C ATOM 1195 CG ASP A 77 -11.406 -11.379 -3.521 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -11.556 -12.328 -4.273 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -12.240 -11.013 -2.709 1.00 0.00 O ATOM 0 H ASP A 77 -7.514 -10.657 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.873 -11.927 -2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.056 -9.844 -2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.025 -10.077 -4.555 1.00 0.00 H new ATOM 1202 N GLY A 78 -8.485 -12.721 -5.543 1.00 0.00 N ATOM 1203 CA GLY A 78 -8.632 -13.850 -6.506 1.00 0.00 C ATOM 1204 C GLY A 78 -9.690 -13.496 -7.552 1.00 0.00 C ATOM 1205 O GLY A 78 -10.177 -14.347 -8.270 1.00 0.00 O ATOM 0 H GLY A 78 -7.882 -11.960 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.678 -14.053 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.919 -14.758 -5.976 1.00 0.00 H new ATOM 1209 N ASN A 79 -10.050 -12.245 -7.645 1.00 0.00 N ATOM 1210 CA ASN A 79 -11.078 -11.835 -8.643 1.00 0.00 C ATOM 1211 C ASN A 79 -10.392 -11.459 -9.960 1.00 0.00 C ATOM 1212 O ASN A 79 -9.508 -10.626 -9.993 1.00 0.00 O ATOM 1213 CB ASN A 79 -11.849 -10.627 -8.108 1.00 0.00 C ATOM 1214 CG ASN A 79 -13.333 -10.774 -8.447 1.00 0.00 C ATOM 1215 OD1 ASN A 79 -13.686 -11.029 -9.582 1.00 0.00 O ATOM 1216 ND2 ASN A 79 -14.223 -10.623 -7.505 1.00 0.00 N ATOM 0 H ASN A 79 -9.676 -11.488 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.767 -12.662 -8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.718 -10.548 -7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.455 -9.709 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.215 -10.719 -7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.926 -10.409 -6.553 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.794 -12.063 -11.044 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.166 -11.734 -12.355 1.00 0.00 C ATOM 1225 C LYS A 80 -10.632 -10.348 -12.803 1.00 0.00 C ATOM 1226 O LYS A 80 -11.805 -10.037 -12.771 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.578 -12.776 -13.398 1.00 0.00 C ATOM 1228 CG LYS A 80 -12.104 -12.859 -13.466 1.00 0.00 C ATOM 1229 CD LYS A 80 -12.513 -14.140 -14.195 1.00 0.00 C ATOM 1230 CE LYS A 80 -14.010 -14.096 -14.506 1.00 0.00 C ATOM 1231 NZ LYS A 80 -14.222 -13.444 -15.829 1.00 0.00 N ATOM 0 H LYS A 80 -11.529 -12.769 -11.079 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.081 -11.739 -12.252 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.175 -12.507 -14.374 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.162 -13.749 -13.138 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.525 -12.850 -12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.503 -11.988 -13.986 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.942 -14.244 -15.118 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.284 -15.010 -13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.420 -15.106 -14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.538 -13.545 -13.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.240 -13.413 -16.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.844 -12.475 -15.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.730 -13.988 -16.567 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.721 -9.508 -13.215 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.114 -8.140 -13.656 1.00 0.00 C ATOM 1247 C LEU A 81 -9.064 -7.587 -14.623 1.00 0.00 C ATOM 1248 O LEU A 81 -8.191 -8.299 -15.079 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.220 -7.224 -12.435 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.966 -7.375 -11.567 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.044 -6.174 -11.782 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -9.374 -7.443 -10.094 1.00 0.00 C ATOM 0 H LEU A 81 -8.723 -9.710 -13.265 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.078 -8.186 -14.162 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.331 -6.188 -12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.108 -7.476 -11.855 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.441 -8.289 -11.845 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.153 -6.284 -11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.753 -6.122 -12.831 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.568 -5.259 -11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.484 -7.550 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.899 -6.528 -9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.030 -8.299 -9.937 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.141 -6.324 -14.938 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.147 -5.726 -15.874 1.00 0.00 C ATOM 1266 C LEU A 82 -7.427 -4.568 -15.180 1.00 0.00 C ATOM 1267 O LEU A 82 -8.019 -3.821 -14.426 1.00 0.00 O ATOM 1268 CB LEU A 82 -8.866 -5.202 -17.119 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.662 -6.337 -17.762 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.066 -6.383 -17.158 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.763 -6.096 -19.270 1.00 0.00 C ATOM 0 H LEU A 82 -9.850 -5.679 -14.588 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.422 -6.486 -16.166 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.533 -4.383 -16.849 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.142 -4.803 -17.829 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.157 -7.285 -17.577 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.633 -7.193 -17.617 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.995 -6.554 -16.084 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.572 -5.436 -17.342 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.331 -6.905 -19.730 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.268 -5.148 -19.454 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.762 -6.064 -19.701 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.153 -4.414 -15.425 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.400 -3.306 -14.775 1.00 0.00 C ATOM 1285 C CYS A 83 -4.546 -2.580 -15.816 1.00 0.00 C ATOM 1286 O CYS A 83 -3.523 -3.074 -16.247 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.495 -3.879 -13.681 1.00 0.00 C ATOM 1288 SG CYS A 83 -4.486 -5.686 -13.791 1.00 0.00 S ATOM 0 H CYS A 83 -5.603 -5.007 -16.046 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.105 -2.601 -14.334 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.482 -3.492 -13.792 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.850 -3.565 -12.699 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.291 -6.179 -12.897 1.00 0.00 H new ATOM 1294 N PHE A 84 -4.953 -1.406 -16.221 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.157 -0.651 -17.228 1.00 0.00 C ATOM 1296 C PHE A 84 -3.203 0.302 -16.504 1.00 0.00 C ATOM 1297 O PHE A 84 -3.437 0.689 -15.377 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.092 0.147 -18.143 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.196 0.778 -17.329 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.182 -0.025 -16.742 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.237 2.167 -17.164 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.207 0.562 -15.990 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.261 2.755 -16.414 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.246 1.952 -15.826 1.00 0.00 C ATOM 0 H PHE A 84 -5.801 -0.939 -15.898 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.583 -1.351 -17.835 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.529 0.919 -18.668 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.518 -0.509 -18.902 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.152 -1.097 -16.869 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.477 2.786 -17.617 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.967 -0.057 -15.537 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.292 3.827 -16.289 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.036 2.405 -15.246 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.125 0.677 -17.138 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.157 1.597 -16.475 1.00 0.00 C ATOM 1316 C ASP A 85 -1.170 2.957 -17.174 1.00 0.00 C ATOM 1317 O ASP A 85 -1.381 3.051 -18.366 1.00 0.00 O ATOM 1318 CB ASP A 85 0.250 0.998 -16.555 1.00 0.00 C ATOM 1319 CG ASP A 85 0.445 -0.004 -15.416 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.115 -1.084 -15.502 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.151 0.326 -14.477 1.00 0.00 O ATOM 0 H ASP A 85 -1.873 0.387 -18.083 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.443 1.727 -15.431 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.392 0.504 -17.516 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.997 1.789 -16.490 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.945 4.013 -16.441 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.943 5.367 -17.064 1.00 0.00 C ATOM 1328 C ALA A 86 0.364 6.083 -16.713 1.00 0.00 C ATOM 1329 O ALA A 86 0.694 6.260 -15.559 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.127 6.174 -16.533 1.00 0.00 C ATOM 0 H ALA A 86 -0.762 3.997 -15.438 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.027 5.272 -18.147 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.126 7.164 -16.988 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.057 5.662 -16.781 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.044 6.272 -15.451 1.00 0.00 H new ATOM 1336 N THR A 87 1.112 6.492 -17.701 1.00 0.00 N ATOM 1337 CA THR A 87 2.396 7.191 -17.420 1.00 0.00 C ATOM 1338 C THR A 87 2.236 8.689 -17.686 1.00 0.00 C ATOM 1339 O THR A 87 1.358 9.112 -18.413 1.00 0.00 O ATOM 1340 CB THR A 87 3.490 6.623 -18.327 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.897 5.801 -19.323 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.463 5.791 -17.492 1.00 0.00 C ATOM 0 H THR A 87 0.889 6.372 -18.689 1.00 0.00 H new ATOM 0 HA THR A 87 2.672 7.040 -16.376 1.00 0.00 H new ATOM 0 HB THR A 87 4.029 7.441 -18.804 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.596 5.438 -19.906 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.242 5.386 -18.138 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.917 6.421 -16.727 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.925 4.972 -17.015 1.00 0.00 H new ATOM 1350 N MET A 88 3.078 9.497 -17.100 1.00 0.00 N ATOM 1351 CA MET A 88 2.976 10.968 -17.315 1.00 0.00 C ATOM 1352 C MET A 88 4.313 11.628 -16.971 1.00 0.00 C ATOM 1353 O MET A 88 4.987 11.241 -16.037 1.00 0.00 O ATOM 1354 CB MET A 88 1.878 11.540 -16.415 1.00 0.00 C ATOM 1355 CG MET A 88 1.727 13.039 -16.680 1.00 0.00 C ATOM 1356 SD MET A 88 1.046 13.844 -15.208 1.00 0.00 S ATOM 1357 CE MET A 88 -0.490 14.431 -15.964 1.00 0.00 C ATOM 0 H MET A 88 3.833 9.201 -16.481 1.00 0.00 H new ATOM 0 HA MET A 88 2.731 11.167 -18.358 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.934 11.030 -16.606 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.126 11.369 -15.368 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.694 13.474 -16.932 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.071 13.204 -17.535 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.209 14.676 -15.183 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.285 15.320 -16.561 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.902 13.651 -16.604 1.00 0.00 H new ATOM 1367 N GLN A 89 4.703 12.626 -17.717 1.00 0.00 N ATOM 1368 CA GLN A 89 5.996 13.310 -17.430 1.00 0.00 C ATOM 1369 C GLN A 89 5.744 14.501 -16.503 1.00 0.00 C ATOM 1370 O GLN A 89 4.996 15.403 -16.823 1.00 0.00 O ATOM 1371 CB GLN A 89 6.615 13.805 -18.739 1.00 0.00 C ATOM 1372 CG GLN A 89 6.084 12.969 -19.906 1.00 0.00 C ATOM 1373 CD GLN A 89 6.388 11.491 -19.657 1.00 0.00 C ATOM 1374 OE1 GLN A 89 5.450 10.714 -19.186 1.00 0.00 O flip ATOM 1375 NE2 GLN A 89 7.489 11.036 -19.896 1.00 0.00 N flip ATOM 0 H GLN A 89 4.183 12.997 -18.512 1.00 0.00 H new ATOM 0 HA GLN A 89 6.679 12.610 -16.949 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.374 14.857 -18.892 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.701 13.731 -18.690 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.009 13.117 -20.013 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.545 13.294 -20.839 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.222 11.642 -20.264 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.680 10.048 -19.729 1.00 0.00 H new ATOM 1384 N SER A 90 6.364 14.510 -15.355 1.00 0.00 N ATOM 1385 CA SER A 90 6.161 15.642 -14.407 1.00 0.00 C ATOM 1386 C SER A 90 7.428 15.847 -13.577 1.00 0.00 C ATOM 1387 O SER A 90 8.206 14.934 -13.376 1.00 0.00 O ATOM 1388 CB SER A 90 4.990 15.321 -13.478 1.00 0.00 C ATOM 1389 OG SER A 90 5.309 15.743 -12.158 1.00 0.00 O ATOM 0 H SER A 90 7.002 13.783 -15.032 1.00 0.00 H new ATOM 0 HA SER A 90 5.944 16.551 -14.967 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.087 15.824 -13.825 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.784 14.251 -13.490 1.00 0.00 H new ATOM 0 HG SER A 90 4.853 15.165 -11.511 1.00 0.00 H new ATOM 1395 N ALA A 91 7.645 17.039 -13.093 1.00 0.00 N ATOM 1396 CA ALA A 91 8.863 17.301 -12.276 1.00 0.00 C ATOM 1397 C ALA A 91 8.724 16.612 -10.917 1.00 0.00 C ATOM 1398 O ALA A 91 7.634 16.400 -10.427 1.00 0.00 O ATOM 1399 CB ALA A 91 9.024 18.809 -12.071 1.00 0.00 C ATOM 0 H ALA A 91 7.032 17.843 -13.228 1.00 0.00 H new ATOM 0 HA ALA A 91 9.739 16.909 -12.793 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.915 19.002 -11.473 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.124 19.299 -13.039 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.148 19.201 -11.554 1.00 0.00 H new ATOM 1405 N LEU A 92 9.822 16.260 -10.306 1.00 0.00 N ATOM 1406 CA LEU A 92 9.754 15.584 -8.980 1.00 0.00 C ATOM 1407 C LEU A 92 9.287 16.581 -7.919 1.00 0.00 C ATOM 1408 O LEU A 92 9.933 17.578 -7.662 1.00 0.00 O ATOM 1409 CB LEU A 92 11.140 15.054 -8.607 1.00 0.00 C ATOM 1410 CG LEU A 92 10.992 13.800 -7.744 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.800 12.579 -8.646 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.253 13.614 -6.899 1.00 0.00 C ATOM 0 H LEU A 92 10.763 16.411 -10.668 1.00 0.00 H new ATOM 0 HA LEU A 92 9.048 14.755 -9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.707 14.823 -9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.699 15.817 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 92 10.127 13.908 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.695 11.685 -8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.903 12.711 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.666 12.470 -9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.150 12.721 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.117 13.505 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.392 14.484 -6.257 1.00 0.00 H new ATOM 1424 N ASP A 93 8.169 16.319 -7.298 1.00 0.00 N ATOM 1425 CA ASP A 93 7.661 17.251 -6.252 1.00 0.00 C ATOM 1426 C ASP A 93 6.454 16.621 -5.554 1.00 0.00 C ATOM 1427 O ASP A 93 5.574 16.075 -6.188 1.00 0.00 O ATOM 1428 CB ASP A 93 7.242 18.573 -6.900 1.00 0.00 C ATOM 1429 CG ASP A 93 8.419 19.551 -6.879 1.00 0.00 C ATOM 1430 OD1 ASP A 93 9.243 19.439 -5.986 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.476 20.396 -7.758 1.00 0.00 O ATOM 0 H ASP A 93 7.586 15.500 -7.470 1.00 0.00 H new ATOM 0 HA ASP A 93 8.448 17.440 -5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.918 18.400 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.393 18.999 -6.365 1.00 0.00 H new ATOM 1436 N ALA A 94 6.406 16.692 -4.253 1.00 0.00 N ATOM 1437 CA ALA A 94 5.255 16.097 -3.518 1.00 0.00 C ATOM 1438 C ALA A 94 3.976 16.856 -3.874 1.00 0.00 C ATOM 1439 O ALA A 94 3.095 16.335 -4.529 1.00 0.00 O ATOM 1440 CB ALA A 94 5.504 16.194 -2.012 1.00 0.00 C ATOM 0 H ALA A 94 7.113 17.136 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 94 5.147 15.050 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.661 15.758 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.415 15.652 -1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.613 17.241 -1.728 1.00 0.00 H new ATOM 1446 N LYS A 95 3.867 18.084 -3.447 1.00 0.00 N ATOM 1447 CA LYS A 95 2.644 18.877 -3.762 1.00 0.00 C ATOM 1448 C LYS A 95 2.168 18.538 -5.176 1.00 0.00 C ATOM 1449 O LYS A 95 0.986 18.424 -5.432 1.00 0.00 O ATOM 1450 CB LYS A 95 2.968 20.369 -3.677 1.00 0.00 C ATOM 1451 CG LYS A 95 4.186 20.578 -2.774 1.00 0.00 C ATOM 1452 CD LYS A 95 4.382 22.075 -2.518 1.00 0.00 C ATOM 1453 CE LYS A 95 5.840 22.453 -2.790 1.00 0.00 C ATOM 1454 NZ LYS A 95 6.735 21.630 -1.929 1.00 0.00 N ATOM 0 H LYS A 95 4.571 18.573 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 95 1.859 18.635 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.168 20.766 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.112 20.916 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.046 20.052 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.076 20.159 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.719 22.654 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.119 22.316 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.079 22.291 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.996 23.513 -2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.613 22.155 -1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.255 21.420 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.963 20.740 -2.416 1.00 0.00 H new ATOM 1468 N LEU A 96 3.080 18.375 -6.096 1.00 0.00 N ATOM 1469 CA LEU A 96 2.678 18.044 -7.492 1.00 0.00 C ATOM 1470 C LEU A 96 1.917 16.717 -7.502 1.00 0.00 C ATOM 1471 O LEU A 96 0.765 16.652 -7.885 1.00 0.00 O ATOM 1472 CB LEU A 96 3.929 17.919 -8.364 1.00 0.00 C ATOM 1473 CG LEU A 96 4.029 19.130 -9.292 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.128 20.408 -8.456 1.00 0.00 C ATOM 1475 CD2 LEU A 96 5.277 18.997 -10.166 1.00 0.00 C ATOM 0 H LEU A 96 4.085 18.457 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 96 2.037 18.834 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.818 17.855 -7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.886 17.001 -8.950 1.00 0.00 H new ATOM 0 HG LEU A 96 3.143 19.178 -9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.199 21.271 -9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.241 20.503 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.015 20.361 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.351 19.859 -10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.162 18.950 -9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.209 18.087 -10.761 1.00 0.00 H new ATOM 1487 N ILE A 97 2.553 15.655 -7.087 1.00 0.00 N ATOM 1488 CA ILE A 97 1.868 14.332 -7.074 1.00 0.00 C ATOM 1489 C ILE A 97 0.571 14.433 -6.268 1.00 0.00 C ATOM 1490 O ILE A 97 -0.379 13.717 -6.511 1.00 0.00 O ATOM 1491 CB ILE A 97 2.787 13.289 -6.435 1.00 0.00 C ATOM 1492 CG1 ILE A 97 3.952 12.992 -7.382 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.002 12.003 -6.174 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.186 12.596 -6.568 1.00 0.00 C ATOM 0 H ILE A 97 3.518 15.647 -6.756 1.00 0.00 H new ATOM 0 HA ILE A 97 1.635 14.034 -8.096 1.00 0.00 H new ATOM 0 HB ILE A 97 3.172 13.674 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.682 12.188 -8.066 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.172 13.869 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.659 11.262 -5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.171 12.214 -5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.615 11.615 -7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.015 12.385 -7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.460 13.414 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.963 11.707 -5.978 1.00 0.00 H new ATOM 1506 N ASP A 98 0.523 15.318 -5.310 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.714 15.461 -4.492 1.00 0.00 C ATOM 1508 C ASP A 98 -1.861 15.941 -5.385 1.00 0.00 C ATOM 1509 O ASP A 98 -2.909 15.329 -5.447 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.474 16.480 -3.376 1.00 0.00 C ATOM 1511 CG ASP A 98 -1.792 16.764 -2.652 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.401 15.819 -2.180 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -2.169 17.922 -2.584 1.00 0.00 O ATOM 0 H ASP A 98 1.286 15.947 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.973 14.498 -4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.265 16.097 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.069 17.403 -3.792 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.672 17.030 -6.078 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.752 17.545 -6.966 1.00 0.00 C ATOM 1520 C GLU A 99 -3.069 16.502 -8.038 1.00 0.00 C ATOM 1521 O GLU A 99 -4.216 16.210 -8.314 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.289 18.841 -7.635 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.552 20.022 -6.698 1.00 0.00 C ATOM 1524 CD GLU A 99 -1.786 21.249 -7.196 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -2.221 21.837 -8.172 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -0.777 21.578 -6.594 1.00 0.00 O ATOM 0 H GLU A 99 -0.817 17.585 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.646 17.742 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.227 18.781 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.818 18.986 -8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.620 20.238 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.240 19.772 -5.684 1.00 0.00 H new ATOM 1533 N GLN A 100 -2.062 15.936 -8.646 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.308 14.910 -9.699 1.00 0.00 C ATOM 1535 C GLN A 100 -3.166 13.784 -9.122 1.00 0.00 C ATOM 1536 O GLN A 100 -4.247 13.505 -9.602 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.972 14.339 -10.177 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.327 15.307 -11.170 1.00 0.00 C ATOM 1539 CD GLN A 100 1.195 15.201 -11.072 1.00 0.00 C ATOM 1540 OE1 GLN A 100 1.713 14.271 -10.486 1.00 0.00 O ATOM 1541 NE2 GLN A 100 1.939 16.118 -11.626 1.00 0.00 N ATOM 0 H GLN A 100 -1.080 16.140 -8.459 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.828 15.369 -10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.309 14.178 -9.327 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.127 13.368 -10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.654 15.075 -12.184 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.645 16.328 -10.958 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.504 16.899 -12.118 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.955 16.054 -11.567 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.696 13.135 -8.092 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.487 12.027 -7.485 1.00 0.00 C ATOM 1552 C VAL A 101 -4.915 12.509 -7.221 1.00 0.00 C ATOM 1553 O VAL A 101 -5.874 11.895 -7.643 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.840 11.600 -6.168 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.703 10.528 -5.501 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.447 11.031 -6.446 1.00 0.00 C ATOM 0 H VAL A 101 -1.799 13.324 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.510 11.178 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.756 12.463 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.242 10.223 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.696 10.931 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.786 9.665 -6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.985 10.726 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.532 10.168 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.831 11.793 -6.923 1.00 0.00 H new ATOM 1566 N GLU A 102 -5.064 13.602 -6.525 1.00 0.00 N ATOM 1567 CA GLU A 102 -6.430 14.119 -6.237 1.00 0.00 C ATOM 1568 C GLU A 102 -7.297 13.983 -7.491 1.00 0.00 C ATOM 1569 O GLU A 102 -8.438 13.569 -7.427 1.00 0.00 O ATOM 1570 CB GLU A 102 -6.344 15.592 -5.833 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.722 16.242 -5.972 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.675 17.662 -5.405 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.803 18.412 -5.811 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -8.512 17.975 -4.574 1.00 0.00 O ATOM 0 H GLU A 102 -4.299 14.159 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.873 13.546 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.992 15.678 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.621 16.111 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.020 16.267 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.470 15.652 -5.442 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.763 14.326 -8.632 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.556 14.214 -9.887 1.00 0.00 C ATOM 1583 C LYS A 103 -7.828 12.739 -10.186 1.00 0.00 C ATOM 1584 O LYS A 103 -8.962 12.314 -10.283 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.771 14.835 -11.045 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.932 16.355 -11.011 1.00 0.00 C ATOM 1587 CD LYS A 103 -6.248 16.970 -12.234 1.00 0.00 C ATOM 1588 CE LYS A 103 -5.887 18.426 -11.939 1.00 0.00 C ATOM 1589 NZ LYS A 103 -5.235 19.029 -13.136 1.00 0.00 N ATOM 0 H LYS A 103 -5.813 14.678 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.502 14.741 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.717 14.568 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.131 14.441 -11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.990 16.619 -11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.495 16.757 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.350 16.405 -12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.909 16.916 -13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.784 18.988 -11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.217 18.479 -11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.989 20.019 -12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.371 18.498 -13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.889 18.991 -13.944 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.795 11.953 -10.327 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.998 10.505 -10.614 1.00 0.00 C ATOM 1605 C LEU A 104 -7.990 9.929 -9.602 1.00 0.00 C ATOM 1606 O LEU A 104 -8.575 8.886 -9.813 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.662 9.768 -10.499 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.640 10.413 -11.436 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.236 9.922 -11.077 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -4.959 10.026 -12.882 1.00 0.00 C ATOM 0 H LEU A 104 -5.822 12.250 -10.256 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.390 10.382 -11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.302 9.804 -9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.792 8.716 -10.754 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.684 11.497 -11.330 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.508 10.382 -11.745 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.007 10.196 -10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.192 8.838 -11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.231 10.485 -13.551 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.915 8.942 -12.987 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.959 10.375 -13.140 1.00 0.00 H new ATOM 1622 N VAL A 105 -8.184 10.607 -8.504 1.00 0.00 N ATOM 1623 CA VAL A 105 -9.138 10.109 -7.475 1.00 0.00 C ATOM 1624 C VAL A 105 -10.552 10.566 -7.836 1.00 0.00 C ATOM 1625 O VAL A 105 -11.396 9.774 -8.207 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.753 10.673 -6.107 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.790 10.243 -5.067 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.378 10.137 -5.705 1.00 0.00 C ATOM 0 H VAL A 105 -7.721 11.487 -8.275 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.103 9.020 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.720 11.761 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.516 10.645 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.771 10.622 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.823 9.155 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.102 10.538 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.413 9.049 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.638 10.442 -6.445 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.817 11.840 -7.739 1.00 0.00 N ATOM 1639 CA ASN A 106 -12.174 12.344 -8.085 1.00 0.00 C ATOM 1640 C ASN A 106 -12.601 11.743 -9.425 1.00 0.00 C ATOM 1641 O ASN A 106 -13.759 11.459 -9.650 1.00 0.00 O ATOM 1642 CB ASN A 106 -12.143 13.869 -8.194 1.00 0.00 C ATOM 1643 CG ASN A 106 -12.321 14.486 -6.805 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -13.209 15.286 -6.593 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -11.506 14.144 -5.846 1.00 0.00 N ATOM 0 H ASN A 106 -10.153 12.552 -7.435 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.883 12.056 -7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.198 14.194 -8.629 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.935 14.212 -8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -11.614 14.549 -4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.760 13.472 -6.026 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.666 11.546 -10.316 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.009 10.959 -11.641 1.00 0.00 C ATOM 1654 C LEU A 107 -12.363 9.482 -11.460 1.00 0.00 C ATOM 1655 O LEU A 107 -13.400 9.023 -11.901 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.808 11.088 -12.581 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.061 10.279 -13.856 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -10.854 11.173 -15.079 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.084 9.102 -13.916 1.00 0.00 C ATOM 0 H LEU A 107 -10.679 11.767 -10.182 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.860 11.488 -12.069 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.640 12.136 -12.831 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.906 10.730 -12.085 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.084 9.904 -13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.034 10.596 -15.986 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.549 12.012 -15.038 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.831 11.549 -15.086 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.264 8.526 -14.824 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.061 9.478 -13.922 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.231 8.463 -13.045 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.514 8.735 -10.811 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.807 7.290 -10.597 1.00 0.00 C ATOM 1673 C ALA A 108 -13.182 7.149 -9.944 1.00 0.00 C ATOM 1674 O ALA A 108 -14.047 6.454 -10.438 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.742 6.684 -9.680 1.00 0.00 C ATOM 0 H ALA A 108 -10.631 9.062 -10.420 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.799 6.768 -11.554 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.956 5.627 -9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.761 6.791 -10.142 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.750 7.202 -8.721 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.391 7.810 -8.839 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.712 7.721 -8.157 1.00 0.00 C ATOM 1683 C GLU A 109 -15.809 8.193 -9.113 1.00 0.00 C ATOM 1684 O GLU A 109 -16.936 7.745 -9.050 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.701 8.611 -6.911 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.715 8.044 -5.887 1.00 0.00 C ATOM 1687 CD GLU A 109 -14.469 7.168 -4.885 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -14.844 6.067 -5.254 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -14.658 7.613 -3.765 1.00 0.00 O ATOM 0 H GLU A 109 -12.704 8.408 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.904 6.689 -7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.417 9.628 -7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.701 8.663 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.946 7.459 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.207 8.856 -5.367 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.485 9.093 -10.003 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.506 9.591 -10.968 1.00 0.00 C ATOM 1698 C LYS A 110 -16.927 8.450 -11.895 1.00 0.00 C ATOM 1699 O LYS A 110 -18.042 8.406 -12.376 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.910 10.733 -11.797 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.766 11.991 -11.633 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.184 13.123 -12.487 1.00 0.00 C ATOM 1703 CE LYS A 110 -15.747 14.278 -11.582 1.00 0.00 C ATOM 1704 NZ LYS A 110 -15.448 15.475 -12.416 1.00 0.00 N ATOM 0 H LYS A 110 -14.557 9.504 -10.103 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.377 9.956 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -14.888 10.933 -11.476 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.864 10.447 -12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.793 11.786 -11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -16.794 12.290 -10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.334 12.757 -13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.928 13.471 -13.203 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.534 14.509 -10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -14.866 13.992 -11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -15.151 16.260 -11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -14.684 15.250 -13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.300 15.752 -12.944 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.043 7.524 -12.149 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.392 6.385 -13.044 1.00 0.00 C ATOM 1720 C PHE A 111 -16.721 5.155 -12.196 1.00 0.00 C ATOM 1721 O PHE A 111 -17.870 4.811 -12.007 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.207 6.074 -13.960 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.095 7.144 -15.018 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.021 7.190 -16.068 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.067 8.092 -14.949 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -15.918 8.184 -17.049 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -13.964 9.086 -15.930 1.00 0.00 C ATOM 1728 CZ PHE A 111 -14.890 9.132 -16.980 1.00 0.00 C ATOM 0 H PHE A 111 -15.094 7.507 -11.775 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.258 6.650 -13.651 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.287 6.025 -13.378 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.341 5.098 -14.427 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -16.814 6.459 -16.121 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.353 8.057 -14.139 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -16.632 8.219 -17.859 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.171 9.817 -15.877 1.00 0.00 H new ATOM 0 HZ PHE A 111 -14.811 9.899 -17.736 1.00 0.00 H new ATOM 1738 N ASP A 112 -15.722 4.492 -11.680 1.00 0.00 N ATOM 1739 CA ASP A 112 -15.983 3.287 -10.840 1.00 0.00 C ATOM 1740 C ASP A 112 -14.731 2.409 -10.793 1.00 0.00 C ATOM 1741 O ASP A 112 -14.813 1.197 -10.775 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.143 2.487 -11.439 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.432 2.815 -10.685 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.396 2.823 -9.466 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.433 3.055 -11.341 1.00 0.00 O ATOM 0 H ASP A 112 -14.738 4.731 -11.803 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.241 3.603 -9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.256 2.727 -12.496 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -16.934 1.419 -11.375 1.00 0.00 H new ATOM 1750 N ILE A 113 -13.571 3.006 -10.770 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.322 2.197 -10.720 1.00 0.00 C ATOM 1752 C ILE A 113 -11.605 2.448 -9.391 1.00 0.00 C ATOM 1753 O ILE A 113 -11.792 3.468 -8.758 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.408 2.588 -11.883 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.282 4.111 -11.946 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.005 2.073 -13.193 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.499 4.503 -13.201 1.00 0.00 C ATOM 0 H ILE A 113 -13.435 4.017 -10.784 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.571 1.139 -10.802 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.422 2.149 -11.733 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.271 4.569 -11.963 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.774 4.482 -11.056 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.355 2.351 -14.023 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.095 0.988 -13.150 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.991 2.513 -13.341 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.408 5.588 -13.249 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.505 4.056 -13.164 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.026 4.144 -14.085 1.00 0.00 H new ATOM 1769 N ILE A 114 -10.793 1.522 -8.960 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.074 1.705 -7.669 1.00 0.00 C ATOM 1771 C ILE A 114 -8.657 2.217 -7.934 1.00 0.00 C ATOM 1772 O ILE A 114 -7.794 1.488 -8.384 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.008 0.365 -6.931 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -8.957 0.442 -5.820 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -9.628 -0.744 -7.915 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.268 1.627 -4.903 1.00 0.00 C ATOM 0 H ILE A 114 -10.597 0.647 -9.446 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.607 2.432 -7.057 1.00 0.00 H new ATOM 0 HB ILE A 114 -10.982 0.146 -6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -8.952 -0.484 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.963 0.555 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.581 -1.697 -7.389 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.377 -0.802 -8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.655 -0.524 -8.353 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.520 1.681 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.251 2.550 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.255 1.495 -4.460 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.408 3.467 -7.656 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.046 4.025 -7.887 1.00 0.00 C ATOM 1790 C TYR A 115 -6.169 3.735 -6.667 1.00 0.00 C ATOM 1791 O TYR A 115 -6.349 4.308 -5.610 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.146 5.538 -8.107 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.886 6.211 -7.615 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.689 6.064 -8.328 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.914 6.979 -6.445 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.521 6.686 -7.871 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.745 7.600 -5.987 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.549 7.454 -6.699 1.00 0.00 C ATOM 1799 OH TYR A 115 -2.397 8.065 -6.248 1.00 0.00 O ATOM 0 H TYR A 115 -9.089 4.126 -7.279 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.603 3.563 -8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.294 5.752 -9.166 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -8.012 5.935 -7.578 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.667 5.471 -9.230 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.837 7.093 -5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.599 6.574 -8.421 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -4.767 8.192 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.433 8.151 -5.272 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.219 2.850 -6.803 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.333 2.525 -5.651 1.00 0.00 C ATOM 1811 C ASP A 116 -3.096 1.777 -6.154 1.00 0.00 C ATOM 1812 O ASP A 116 -3.050 0.563 -6.150 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.091 1.643 -4.656 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.170 1.278 -3.491 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -2.966 1.306 -3.683 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.685 0.979 -2.426 1.00 0.00 O ATOM 0 H ASP A 116 -5.019 2.338 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.026 3.448 -5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.972 2.168 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.444 0.738 -5.151 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.092 2.491 -6.585 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.861 1.815 -7.085 1.00 0.00 C ATOM 1823 C GLY A 117 -0.057 2.786 -7.952 1.00 0.00 C ATOM 1824 O GLY A 117 -0.005 2.657 -9.160 1.00 0.00 O ATOM 0 H GLY A 117 -2.071 3.510 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.255 1.474 -6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.129 0.931 -7.664 1.00 0.00 H new ATOM 1828 N TRP A 118 0.574 3.755 -7.347 1.00 0.00 N ATOM 1829 CA TRP A 118 1.376 4.729 -8.139 1.00 0.00 C ATOM 1830 C TRP A 118 2.845 4.642 -7.715 1.00 0.00 C ATOM 1831 O TRP A 118 3.154 4.438 -6.557 1.00 0.00 O ATOM 1832 CB TRP A 118 0.848 6.146 -7.892 1.00 0.00 C ATOM 1833 CG TRP A 118 1.530 6.740 -6.701 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.048 6.724 -5.436 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.809 7.436 -6.642 1.00 0.00 C ATOM 1836 NE1 TRP A 118 1.948 7.367 -4.607 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.050 7.822 -5.303 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.773 7.766 -7.612 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.207 8.512 -4.939 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.938 8.460 -7.248 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.155 8.832 -5.914 1.00 0.00 C ATOM 0 H TRP A 118 0.569 3.914 -6.339 1.00 0.00 H new ATOM 0 HA TRP A 118 1.293 4.495 -9.200 1.00 0.00 H new ATOM 0 HB2 TRP A 118 1.023 6.767 -8.770 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.230 6.119 -7.730 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.113 6.281 -5.125 1.00 0.00 H new ATOM 0 HE1 TRP A 118 1.814 7.490 -3.603 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.616 7.484 -8.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.369 8.797 -3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.672 8.709 -8.001 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.054 9.365 -5.640 1.00 0.00 H new ATOM 1852 N GLY A 119 3.753 4.795 -8.640 1.00 0.00 N ATOM 1853 CA GLY A 119 5.199 4.721 -8.284 1.00 0.00 C ATOM 1854 C GLY A 119 6.043 5.187 -9.471 1.00 0.00 C ATOM 1855 O GLY A 119 5.534 5.456 -10.540 1.00 0.00 O ATOM 0 H GLY A 119 3.557 4.968 -9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.402 5.344 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.466 3.699 -8.014 1.00 0.00 H new ATOM 1859 N THR A 120 7.333 5.287 -9.292 1.00 0.00 N ATOM 1860 CA THR A 120 8.208 5.737 -10.411 1.00 0.00 C ATOM 1861 C THR A 120 9.542 4.991 -10.347 1.00 0.00 C ATOM 1862 O THR A 120 9.832 4.298 -9.393 1.00 0.00 O ATOM 1863 CB THR A 120 8.464 7.241 -10.285 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.472 7.625 -11.210 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.923 7.567 -8.863 1.00 0.00 C ATOM 0 H THR A 120 7.818 5.076 -8.420 1.00 0.00 H new ATOM 0 HA THR A 120 7.717 5.528 -11.361 1.00 0.00 H new ATOM 0 HB THR A 120 7.545 7.786 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.053 7.958 -12.031 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.105 8.638 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.150 7.271 -8.154 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.842 7.024 -8.644 1.00 0.00 H new ATOM 1873 N TYR A 121 10.358 5.133 -11.355 1.00 0.00 N ATOM 1874 CA TYR A 121 11.675 4.438 -11.353 1.00 0.00 C ATOM 1875 C TYR A 121 12.764 5.412 -11.805 1.00 0.00 C ATOM 1876 O TYR A 121 12.543 6.253 -12.655 1.00 0.00 O ATOM 1877 CB TYR A 121 11.625 3.242 -12.308 1.00 0.00 C ATOM 1878 CG TYR A 121 11.825 3.720 -13.726 1.00 0.00 C ATOM 1879 CD1 TYR A 121 10.725 4.119 -14.494 1.00 0.00 C ATOM 1880 CD2 TYR A 121 13.113 3.759 -14.276 1.00 0.00 C ATOM 1881 CE1 TYR A 121 10.912 4.559 -15.811 1.00 0.00 C ATOM 1882 CE2 TYR A 121 13.300 4.199 -15.592 1.00 0.00 C ATOM 1883 CZ TYR A 121 12.199 4.599 -16.358 1.00 0.00 C ATOM 1884 OH TYR A 121 12.383 5.032 -17.656 1.00 0.00 O ATOM 0 H TYR A 121 10.169 5.701 -12.181 1.00 0.00 H new ATOM 0 HA TYR A 121 11.899 4.085 -10.346 1.00 0.00 H new ATOM 0 HB2 TYR A 121 12.398 2.520 -12.044 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.667 2.731 -12.217 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.732 4.088 -14.071 1.00 0.00 H new ATOM 0 HD2 TYR A 121 13.962 3.450 -13.685 1.00 0.00 H new ATOM 0 HE1 TYR A 121 10.063 4.867 -16.403 1.00 0.00 H new ATOM 0 HE2 TYR A 121 14.293 4.230 -16.016 1.00 0.00 H new ATOM 0 HH TYR A 121 13.337 4.999 -17.880 1.00 0.00 H new ATOM 1894 N TYR A 122 13.937 5.310 -11.240 1.00 0.00 N ATOM 1895 CA TYR A 122 15.040 6.233 -11.631 1.00 0.00 C ATOM 1896 C TYR A 122 14.929 6.564 -13.122 1.00 0.00 C ATOM 1897 O TYR A 122 14.945 5.690 -13.966 1.00 0.00 O ATOM 1898 CB TYR A 122 16.390 5.563 -11.357 1.00 0.00 C ATOM 1899 CG TYR A 122 17.269 6.503 -10.567 1.00 0.00 C ATOM 1900 CD1 TYR A 122 16.918 6.855 -9.260 1.00 0.00 C ATOM 1901 CD2 TYR A 122 18.436 7.021 -11.143 1.00 0.00 C ATOM 1902 CE1 TYR A 122 17.732 7.726 -8.526 1.00 0.00 C ATOM 1903 CE2 TYR A 122 19.251 7.892 -10.410 1.00 0.00 C ATOM 1904 CZ TYR A 122 18.899 8.244 -9.102 1.00 0.00 C ATOM 1905 OH TYR A 122 19.703 9.104 -8.379 1.00 0.00 O ATOM 0 H TYR A 122 14.179 4.626 -10.523 1.00 0.00 H new ATOM 0 HA TYR A 122 14.965 7.152 -11.049 1.00 0.00 H new ATOM 0 HB2 TYR A 122 16.242 4.636 -10.804 1.00 0.00 H new ATOM 0 HB3 TYR A 122 16.874 5.299 -12.297 1.00 0.00 H new ATOM 0 HD1 TYR A 122 16.018 6.455 -8.816 1.00 0.00 H new ATOM 0 HD2 TYR A 122 18.707 6.749 -12.152 1.00 0.00 H new ATOM 0 HE1 TYR A 122 17.460 7.998 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 122 20.151 8.292 -10.854 1.00 0.00 H new ATOM 0 HH TYR A 122 19.627 8.898 -7.424 1.00 0.00 H new ATOM 1915 N GLU A 123 14.815 7.822 -13.450 1.00 0.00 N ATOM 1916 CA GLU A 123 14.702 8.212 -14.883 1.00 0.00 C ATOM 1917 C GLU A 123 16.091 8.537 -15.436 1.00 0.00 C ATOM 1918 O GLU A 123 16.308 9.579 -16.022 1.00 0.00 O ATOM 1919 CB GLU A 123 13.805 9.445 -15.002 1.00 0.00 C ATOM 1920 CG GLU A 123 13.052 9.407 -16.333 1.00 0.00 C ATOM 1921 CD GLU A 123 12.467 10.789 -16.629 1.00 0.00 C ATOM 1922 OE1 GLU A 123 13.177 11.600 -17.201 1.00 0.00 O ATOM 1923 OE2 GLU A 123 11.321 11.013 -16.277 1.00 0.00 O ATOM 0 H GLU A 123 14.795 8.597 -12.787 1.00 0.00 H new ATOM 0 HA GLU A 123 14.270 7.389 -15.452 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.097 9.473 -14.173 1.00 0.00 H new ATOM 0 HB3 GLU A 123 14.406 10.352 -14.939 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.726 9.106 -17.135 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.255 8.665 -16.291 1.00 0.00 H new ATOM 1930 N GLY A 124 17.035 7.652 -15.255 1.00 0.00 N ATOM 1931 CA GLY A 124 18.409 7.914 -15.770 1.00 0.00 C ATOM 1932 C GLY A 124 19.122 6.585 -16.025 1.00 0.00 C ATOM 1933 O GLY A 124 20.334 6.523 -16.098 1.00 0.00 O ATOM 0 H GLY A 124 16.914 6.761 -14.774 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.359 8.494 -16.691 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.971 8.508 -15.050 1.00 0.00 H new ATOM 1937 N LEU A 125 18.382 5.519 -16.160 1.00 0.00 N ATOM 1938 CA LEU A 125 19.018 4.195 -16.409 1.00 0.00 C ATOM 1939 C LEU A 125 18.226 3.443 -17.480 1.00 0.00 C ATOM 1940 O LEU A 125 17.167 2.907 -17.221 1.00 0.00 O ATOM 1941 CB LEU A 125 19.023 3.381 -15.114 1.00 0.00 C ATOM 1942 CG LEU A 125 20.123 3.902 -14.188 1.00 0.00 C ATOM 1943 CD1 LEU A 125 19.657 3.801 -12.735 1.00 0.00 C ATOM 1944 CD2 LEU A 125 21.387 3.060 -14.377 1.00 0.00 C ATOM 0 H LEU A 125 17.363 5.508 -16.109 1.00 0.00 H new ATOM 0 HA LEU A 125 20.043 4.342 -16.750 1.00 0.00 H new ATOM 0 HB2 LEU A 125 18.053 3.455 -14.622 1.00 0.00 H new ATOM 0 HB3 LEU A 125 19.188 2.327 -15.335 1.00 0.00 H new ATOM 0 HG LEU A 125 20.339 4.943 -14.429 1.00 0.00 H new ATOM 0 HD11 LEU A 125 20.441 4.172 -12.075 1.00 0.00 H new ATOM 0 HD12 LEU A 125 18.755 4.398 -12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 125 19.442 2.760 -12.493 1.00 0.00 H new ATOM 0 HD21 LEU A 125 22.172 3.430 -13.718 1.00 0.00 H new ATOM 0 HD22 LEU A 125 21.170 2.019 -14.135 1.00 0.00 H new ATOM 0 HD23 LEU A 125 21.720 3.130 -15.413 1.00 0.00 H new ATOM 1956 N GLU A 126 18.732 3.399 -18.682 1.00 0.00 N ATOM 1957 CA GLU A 126 18.006 2.682 -19.768 1.00 0.00 C ATOM 1958 C GLU A 126 19.017 2.073 -20.743 1.00 0.00 C ATOM 1959 O GLU A 126 18.830 0.984 -21.245 1.00 0.00 O ATOM 1960 CB GLU A 126 17.106 3.666 -20.517 1.00 0.00 C ATOM 1961 CG GLU A 126 17.895 4.936 -20.842 1.00 0.00 C ATOM 1962 CD GLU A 126 16.985 5.932 -21.562 1.00 0.00 C ATOM 1963 OE1 GLU A 126 16.169 5.492 -22.356 1.00 0.00 O ATOM 1964 OE2 GLU A 126 17.118 7.117 -21.308 1.00 0.00 O ATOM 0 H GLU A 126 19.615 3.828 -18.959 1.00 0.00 H new ATOM 0 HA GLU A 126 17.396 1.889 -19.334 1.00 0.00 H new ATOM 0 HB2 GLU A 126 16.736 3.210 -21.435 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.235 3.912 -19.910 1.00 0.00 H new ATOM 0 HG2 GLU A 126 18.284 5.380 -19.926 1.00 0.00 H new ATOM 0 HG3 GLU A 126 18.754 4.693 -21.468 1.00 0.00 H new ATOM 1971 N HIS A 127 20.085 2.771 -21.017 1.00 0.00 N ATOM 1972 CA HIS A 127 21.102 2.231 -21.963 1.00 0.00 C ATOM 1973 C HIS A 127 22.018 1.251 -21.228 1.00 0.00 C ATOM 1974 O HIS A 127 23.094 1.603 -20.788 1.00 0.00 O ATOM 1975 CB HIS A 127 21.937 3.380 -22.528 1.00 0.00 C ATOM 1976 CG HIS A 127 23.123 2.821 -23.265 1.00 0.00 C ATOM 1977 ND1 HIS A 127 24.448 2.715 -22.922 1.00 0.00 N flip ATOM 1978 CD2 HIS A 127 23.015 2.274 -24.536 1.00 0.00 C flip ATOM 1979 CE1 HIS A 127 25.149 2.114 -23.962 1.00 0.00 C flip ATOM 1980 NE2 HIS A 127 24.243 1.867 -24.909 1.00 0.00 N flip ATOM 0 H HIS A 127 20.297 3.690 -20.628 1.00 0.00 H new ATOM 0 HA HIS A 127 20.596 1.714 -22.778 1.00 0.00 H new ATOM 0 HB2 HIS A 127 21.331 3.988 -23.200 1.00 0.00 H new ATOM 0 HB3 HIS A 127 22.271 4.032 -21.721 1.00 0.00 H new ATOM 0 HD2 HIS A 127 22.110 2.190 -25.120 1.00 0.00 H new ATOM 0 HE1 HIS A 127 26.206 1.893 -23.996 1.00 0.00 H new ATOM 0 HE2 HIS A 127 24.454 1.425 -25.804 1.00 0.00 H new ATOM 1988 N HIS A 128 21.604 0.021 -21.095 1.00 0.00 N ATOM 1989 CA HIS A 128 22.456 -0.978 -20.393 1.00 0.00 C ATOM 1990 C HIS A 128 23.518 -1.502 -21.360 1.00 0.00 C ATOM 1991 O HIS A 128 23.766 -0.921 -22.398 1.00 0.00 O ATOM 1992 CB HIS A 128 21.587 -2.142 -19.911 1.00 0.00 C ATOM 1993 CG HIS A 128 20.948 -2.813 -21.096 1.00 0.00 C ATOM 1994 ND1 HIS A 128 21.339 -2.545 -22.401 1.00 0.00 N ATOM 1995 CD2 HIS A 128 19.942 -3.744 -21.190 1.00 0.00 C ATOM 1996 CE1 HIS A 128 20.579 -3.299 -23.216 1.00 0.00 C ATOM 1997 NE2 HIS A 128 19.713 -4.046 -22.529 1.00 0.00 N ATOM 0 H HIS A 128 20.713 -0.335 -21.442 1.00 0.00 H new ATOM 0 HA HIS A 128 22.940 -0.509 -19.536 1.00 0.00 H new ATOM 0 HB2 HIS A 128 22.194 -2.858 -19.357 1.00 0.00 H new ATOM 0 HB3 HIS A 128 20.820 -1.779 -19.227 1.00 0.00 H new ATOM 0 HD2 HIS A 128 19.411 -4.175 -20.354 1.00 0.00 H new ATOM 0 HE1 HIS A 128 20.660 -3.299 -24.293 1.00 0.00 H new ATOM 0 HE2 HIS A 128 19.027 -4.701 -22.906 1.00 0.00 H new ATOM 2005 N HIS A 129 24.147 -2.597 -21.033 1.00 0.00 N ATOM 2006 CA HIS A 129 25.190 -3.154 -21.938 1.00 0.00 C ATOM 2007 C HIS A 129 24.898 -4.632 -22.204 1.00 0.00 C ATOM 2008 O HIS A 129 23.786 -5.007 -22.520 1.00 0.00 O ATOM 2009 CB HIS A 129 26.566 -3.015 -21.282 1.00 0.00 C ATOM 2010 CG HIS A 129 27.635 -3.109 -22.335 1.00 0.00 C ATOM 2011 ND1 HIS A 129 27.444 -3.799 -23.524 1.00 0.00 N ATOM 2012 CD2 HIS A 129 28.911 -2.605 -22.396 1.00 0.00 C ATOM 2013 CE1 HIS A 129 28.577 -3.693 -24.242 1.00 0.00 C ATOM 2014 NE2 HIS A 129 29.500 -2.977 -23.599 1.00 0.00 N ATOM 0 H HIS A 129 23.984 -3.130 -20.179 1.00 0.00 H new ATOM 0 HA HIS A 129 25.182 -2.606 -22.880 1.00 0.00 H new ATOM 0 HB2 HIS A 129 26.637 -2.061 -20.760 1.00 0.00 H new ATOM 0 HB3 HIS A 129 26.706 -3.797 -20.536 1.00 0.00 H new ATOM 0 HD2 HIS A 129 29.384 -2.011 -21.628 1.00 0.00 H new ATOM 0 HE1 HIS A 129 28.721 -4.133 -25.218 1.00 0.00 H new ATOM 0 HE2 HIS A 129 30.441 -2.750 -23.922 1.00 0.00 H new ATOM 2022 N HIS A 130 25.886 -5.474 -22.080 1.00 0.00 N ATOM 2023 CA HIS A 130 25.661 -6.926 -22.325 1.00 0.00 C ATOM 2024 C HIS A 130 25.686 -7.678 -20.995 1.00 0.00 C ATOM 2025 O HIS A 130 26.733 -8.022 -20.483 1.00 0.00 O ATOM 2026 CB HIS A 130 26.765 -7.467 -23.238 1.00 0.00 C ATOM 2027 CG HIS A 130 26.360 -8.816 -23.767 1.00 0.00 C ATOM 2028 ND1 HIS A 130 25.262 -8.986 -24.599 1.00 0.00 N ATOM 2029 CD2 HIS A 130 26.895 -10.069 -23.592 1.00 0.00 C ATOM 2030 CE1 HIS A 130 25.171 -10.297 -24.890 1.00 0.00 C ATOM 2031 NE2 HIS A 130 26.142 -10.997 -24.302 1.00 0.00 N ATOM 0 H HIS A 130 26.839 -5.220 -21.820 1.00 0.00 H new ATOM 0 HA HIS A 130 24.692 -7.067 -22.804 1.00 0.00 H new ATOM 0 HB2 HIS A 130 26.939 -6.778 -24.064 1.00 0.00 H new ATOM 0 HB3 HIS A 130 27.702 -7.547 -22.686 1.00 0.00 H new ATOM 0 HD2 HIS A 130 27.766 -10.298 -22.995 1.00 0.00 H new ATOM 0 HE1 HIS A 130 24.407 -10.728 -25.521 1.00 0.00 H new ATOM 0 HE2 HIS A 130 26.299 -12.003 -24.361 1.00 0.00 H new ATOM 2039 N HIS A 131 24.539 -7.936 -20.428 1.00 0.00 N ATOM 2040 CA HIS A 131 24.496 -8.665 -19.129 1.00 0.00 C ATOM 2041 C HIS A 131 23.160 -9.397 -18.999 1.00 0.00 C ATOM 2042 O HIS A 131 22.207 -9.098 -19.691 1.00 0.00 O ATOM 2043 CB HIS A 131 24.643 -7.667 -17.978 1.00 0.00 C ATOM 2044 CG HIS A 131 25.837 -6.786 -18.224 1.00 0.00 C ATOM 2045 ND1 HIS A 131 26.035 -5.724 -19.072 1.00 0.00 N flip ATOM 2046 CD2 HIS A 131 27.033 -6.953 -17.540 1.00 0.00 C flip ATOM 2047 CE1 HIS A 131 27.330 -5.242 -18.916 1.00 0.00 C flip ATOM 2048 NE2 HIS A 131 27.889 -6.014 -17.983 1.00 0.00 N flip ATOM 0 H HIS A 131 23.630 -7.673 -20.808 1.00 0.00 H new ATOM 0 HA HIS A 131 25.312 -9.387 -19.091 1.00 0.00 H new ATOM 0 HB2 HIS A 131 23.742 -7.060 -17.892 1.00 0.00 H new ATOM 0 HB3 HIS A 131 24.760 -8.200 -17.034 1.00 0.00 H new ATOM 0 HD2 HIS A 131 27.239 -7.701 -16.789 1.00 0.00 H new ATOM 0 HE1 HIS A 131 27.787 -4.416 -19.440 1.00 0.00 H new ATOM 0 HE2 HIS A 131 28.846 -5.906 -17.647 1.00 0.00 H new ATOM 2056 N HIS A 132 23.082 -10.356 -18.116 1.00 0.00 N ATOM 2057 CA HIS A 132 21.806 -11.107 -17.940 1.00 0.00 C ATOM 2058 C HIS A 132 20.758 -10.188 -17.308 1.00 0.00 C ATOM 2059 O HIS A 132 19.584 -10.504 -17.411 1.00 0.00 O ATOM 2060 CB HIS A 132 22.044 -12.312 -17.027 1.00 0.00 C ATOM 2061 CG HIS A 132 22.796 -13.373 -17.781 1.00 0.00 C ATOM 2062 ND1 HIS A 132 23.210 -13.197 -19.094 1.00 0.00 N ATOM 2063 CD2 HIS A 132 23.216 -14.631 -17.422 1.00 0.00 C ATOM 2064 CE1 HIS A 132 23.846 -14.320 -19.475 1.00 0.00 C ATOM 2065 NE2 HIS A 132 23.876 -15.223 -18.493 1.00 0.00 N ATOM 2066 OXT HIS A 132 21.147 -9.186 -16.732 1.00 0.00 O ATOM 0 H HIS A 132 23.847 -10.652 -17.509 1.00 0.00 H new ATOM 0 HA HIS A 132 21.450 -11.452 -18.911 1.00 0.00 H new ATOM 0 HB2 HIS A 132 22.609 -12.008 -16.146 1.00 0.00 H new ATOM 0 HB3 HIS A 132 21.092 -12.708 -16.674 1.00 0.00 H new ATOM 0 HD2 HIS A 132 23.058 -15.089 -16.457 1.00 0.00 H new ATOM 0 HE1 HIS A 132 24.278 -14.471 -20.453 1.00 0.00 H new ATOM 0 HE2 HIS A 132 24.295 -16.152 -18.522 1.00 0.00 H new TER 2074 HIS A 132