USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 936 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 60 ASN : amide:sc= -9.41! C(o=-36!,f=-47!) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -11.2! C(o=-36!,f=-40!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -16.1! C(o=-37!,f=-36!) USER MOD Set 1.4: A 109 TYR OH : rot -123:sc= 0.916 USER MOD Set 2.1: A 44 CYS SG : rot 2:sc= -2.36! USER MOD Set 2.2: A 69 SER OG : rot -118:sc= -3.81! USER MOD Set 3.1: A 53 THR OG1 : rot 180:sc= -0.242 USER MOD Set 3.2: A 58 SER OG : rot -156:sc= -4.25! USER MOD Set 4.1: A 26 MET CE :methyl -177:sc= -7.8! (180deg=-7.88!) USER MOD Set 4.2: A 70 SER OG : rot 159:sc= -3.41! USER MOD Single : A 1 VAL N :NH3+ -145:sc= 0.0147 (180deg=-0.973) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -131:sc= 0.618 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 29:sc= -0.282 USER MOD Single : A 15 THR OG1 : rot -7:sc= 0.966 USER MOD Single : A 19 GLN : amide:sc= -0.611 K(o=-0.61,f=-3.5!) USER MOD Single : A 25 ASN : amide:sc= -1.64 K(o=-1.6,f=-7.2!) USER MOD Single : A 28 MET CE :methyl -148:sc= -13.8! (180deg=-16.8!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 39:sc= 0.673 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -6.08! C(o=-6.1!,f=-9.5!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -154:sc= -1.24 USER MOD Single : A 49 SER OG : rot 158:sc= 0.00579 USER MOD Single : A 50 THR OG1 : rot -110:sc= -0.52 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0679 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -4.32! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -6.79! C(o=-8.6!,f=-6.8!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc=-0.00317 F(o=-1.6,f=-0.0032) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 80:sc= -1.48! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 84 MET CE :methyl -169:sc= -2.94! (180deg=-3.46!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -69:sc= 0.814 USER MOD Single : A 94 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.31) USER MOD Single : A 99 GLN : amide:sc= -1.85 X(o=-1.8,f=-1.4) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -3.04 F(o=-6.3!,f=-3) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0759 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.505 -16.918 -28.735 1.00 0.00 N ATOM 2 CA VAL A 1 12.867 -17.047 -28.143 1.00 0.00 C ATOM 3 C VAL A 1 13.629 -15.732 -28.327 1.00 0.00 C ATOM 4 O VAL A 1 13.191 -14.846 -29.033 1.00 0.00 O ATOM 5 CB VAL A 1 13.627 -18.174 -28.846 1.00 0.00 C ATOM 6 CG1 VAL A 1 14.919 -18.473 -28.085 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.756 -19.430 -28.881 1.00 0.00 C ATOM 0 H1 VAL A 1 10.826 -17.461 -28.164 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.225 -15.916 -28.747 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.513 -17.287 -29.707 1.00 0.00 H new ATOM 0 HA VAL A 1 12.779 -17.274 -27.081 1.00 0.00 H new ATOM 0 HB VAL A 1 13.868 -17.868 -29.864 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.459 -19.276 -28.587 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.541 -17.578 -28.058 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.679 -18.778 -27.067 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.296 -20.234 -29.382 1.00 0.00 H new ATOM 0 HG22 VAL A 1 12.515 -19.734 -27.862 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.835 -19.219 -29.424 1.00 0.00 H new ATOM 19 N GLU A 2 14.768 -15.607 -27.696 1.00 0.00 N ATOM 20 CA GLU A 2 15.575 -14.358 -27.825 1.00 0.00 C ATOM 21 C GLU A 2 14.651 -13.138 -27.838 1.00 0.00 C ATOM 22 O GLU A 2 14.300 -12.625 -28.881 1.00 0.00 O ATOM 23 CB GLU A 2 16.384 -14.400 -29.125 1.00 0.00 C ATOM 24 CG GLU A 2 15.478 -14.815 -30.288 1.00 0.00 C ATOM 25 CD GLU A 2 16.272 -14.770 -31.594 1.00 0.00 C ATOM 26 OE1 GLU A 2 17.113 -15.631 -31.783 1.00 0.00 O ATOM 27 OE2 GLU A 2 16.023 -13.874 -32.385 1.00 0.00 O ATOM 0 H GLU A 2 15.176 -16.322 -27.093 1.00 0.00 H new ATOM 0 HA GLU A 2 16.254 -14.284 -26.976 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.821 -13.421 -29.324 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.210 -15.104 -29.027 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.090 -15.820 -30.120 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.618 -14.148 -30.349 1.00 0.00 H new ATOM 34 N LEU A 3 14.257 -12.668 -26.686 1.00 0.00 N ATOM 35 CA LEU A 3 13.358 -11.480 -26.639 1.00 0.00 C ATOM 36 C LEU A 3 14.199 -10.203 -26.704 1.00 0.00 C ATOM 37 O LEU A 3 13.732 -9.127 -26.408 1.00 0.00 O ATOM 38 CB LEU A 3 12.538 -11.500 -25.341 1.00 0.00 C ATOM 39 CG LEU A 3 13.374 -10.971 -24.168 1.00 0.00 C ATOM 40 CD1 LEU A 3 12.464 -10.711 -22.971 1.00 0.00 C ATOM 41 CD2 LEU A 3 14.429 -12.011 -23.789 1.00 0.00 C ATOM 0 H LEU A 3 14.518 -13.054 -25.778 1.00 0.00 H new ATOM 0 HA LEU A 3 12.676 -11.507 -27.489 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.642 -10.891 -25.461 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.206 -12.516 -25.129 1.00 0.00 H new ATOM 0 HG LEU A 3 13.864 -10.042 -24.459 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.058 -10.335 -22.138 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.709 -9.972 -23.241 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.974 -11.640 -22.678 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.025 -11.638 -22.956 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.937 -12.939 -23.497 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.079 -12.199 -24.644 1.00 0.00 H new ATOM 53 N SER A 4 15.442 -10.309 -27.066 1.00 0.00 N ATOM 54 CA SER A 4 16.291 -9.089 -27.124 1.00 0.00 C ATOM 55 C SER A 4 16.225 -8.468 -28.523 1.00 0.00 C ATOM 56 O SER A 4 16.920 -7.517 -28.820 1.00 0.00 O ATOM 57 CB SER A 4 17.737 -9.455 -26.794 1.00 0.00 C ATOM 58 OG SER A 4 18.460 -9.648 -28.003 1.00 0.00 O ATOM 0 H SER A 4 15.906 -11.180 -27.323 1.00 0.00 H new ATOM 0 HA SER A 4 15.923 -8.366 -26.396 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.199 -8.664 -26.203 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.766 -10.362 -26.191 1.00 0.00 H new ATOM 0 HG SER A 4 19.389 -9.881 -27.795 1.00 0.00 H new ATOM 64 N LYS A 5 15.401 -8.995 -29.386 1.00 0.00 N ATOM 65 CA LYS A 5 15.303 -8.425 -30.761 1.00 0.00 C ATOM 66 C LYS A 5 13.832 -8.277 -31.150 1.00 0.00 C ATOM 67 O LYS A 5 13.407 -7.243 -31.625 1.00 0.00 O ATOM 68 CB LYS A 5 16.003 -9.358 -31.752 1.00 0.00 C ATOM 69 CG LYS A 5 16.440 -8.563 -32.982 1.00 0.00 C ATOM 70 CD LYS A 5 17.874 -8.943 -33.354 1.00 0.00 C ATOM 71 CE LYS A 5 18.534 -7.779 -34.096 1.00 0.00 C ATOM 72 NZ LYS A 5 19.507 -8.312 -35.091 1.00 0.00 N ATOM 0 H LYS A 5 14.793 -9.793 -29.201 1.00 0.00 H new ATOM 0 HA LYS A 5 15.783 -7.447 -30.783 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.869 -9.823 -31.280 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.330 -10.163 -32.047 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.770 -8.768 -33.817 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.377 -7.494 -32.778 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.442 -9.185 -32.456 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.874 -9.835 -33.981 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.776 -7.178 -34.598 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.043 -7.124 -33.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.956 -7.521 -35.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.236 -8.868 -34.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.009 -8.919 -35.773 1.00 0.00 H new ATOM 86 N LYS A 6 13.050 -9.300 -30.948 1.00 0.00 N ATOM 87 CA LYS A 6 11.606 -9.215 -31.301 1.00 0.00 C ATOM 88 C LYS A 6 10.828 -8.691 -30.094 1.00 0.00 C ATOM 89 O LYS A 6 9.711 -9.096 -29.839 1.00 0.00 O ATOM 90 CB LYS A 6 11.090 -10.607 -31.675 1.00 0.00 C ATOM 91 CG LYS A 6 12.008 -11.225 -32.731 1.00 0.00 C ATOM 92 CD LYS A 6 11.862 -10.457 -34.046 1.00 0.00 C ATOM 93 CE LYS A 6 13.249 -10.097 -34.583 1.00 0.00 C ATOM 94 NZ LYS A 6 13.209 -10.056 -36.072 1.00 0.00 N ATOM 0 H LYS A 6 13.349 -10.192 -30.553 1.00 0.00 H new ATOM 0 HA LYS A 6 11.472 -8.541 -32.147 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.055 -11.243 -30.791 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.072 -10.538 -32.058 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.043 -11.193 -32.392 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.754 -12.274 -32.880 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.324 -11.062 -34.775 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.275 -9.552 -33.888 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.563 -9.130 -34.190 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.982 -10.831 -34.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.151 -9.811 -36.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.927 -10.988 -36.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.521 -9.340 -36.381 1.00 0.00 H new ATOM 108 N VAL A 7 11.416 -7.800 -29.343 1.00 0.00 N ATOM 109 CA VAL A 7 10.718 -7.260 -28.143 1.00 0.00 C ATOM 110 C VAL A 7 11.340 -5.921 -27.742 1.00 0.00 C ATOM 111 O VAL A 7 10.649 -4.948 -27.512 1.00 0.00 O ATOM 112 CB VAL A 7 10.883 -8.247 -26.990 1.00 0.00 C ATOM 113 CG1 VAL A 7 10.151 -7.731 -25.754 1.00 0.00 C ATOM 114 CG2 VAL A 7 10.318 -9.609 -27.393 1.00 0.00 C ATOM 0 H VAL A 7 12.349 -7.423 -29.509 1.00 0.00 H new ATOM 0 HA VAL A 7 9.662 -7.116 -28.370 1.00 0.00 H new ATOM 0 HB VAL A 7 11.943 -8.351 -26.758 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.273 -8.441 -24.936 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.565 -6.766 -25.462 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.091 -7.617 -25.980 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.437 -10.311 -26.568 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.260 -9.507 -27.633 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.854 -9.981 -28.266 1.00 0.00 H new ATOM 124 N THR A 8 12.641 -5.869 -27.641 1.00 0.00 N ATOM 125 CA THR A 8 13.306 -4.599 -27.236 1.00 0.00 C ATOM 126 C THR A 8 13.018 -3.504 -28.262 1.00 0.00 C ATOM 127 O THR A 8 12.937 -2.339 -27.924 1.00 0.00 O ATOM 128 CB THR A 8 14.815 -4.822 -27.125 1.00 0.00 C ATOM 129 OG1 THR A 8 15.351 -5.090 -28.412 1.00 0.00 O ATOM 130 CG2 THR A 8 15.088 -6.007 -26.196 1.00 0.00 C ATOM 0 H THR A 8 13.271 -6.651 -27.821 1.00 0.00 H new ATOM 0 HA THR A 8 12.915 -4.286 -26.268 1.00 0.00 H new ATOM 0 HB THR A 8 15.286 -3.928 -26.718 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.915 -5.890 -28.371 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.163 -6.167 -26.116 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.678 -5.797 -25.208 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.617 -6.903 -26.601 1.00 0.00 H new ATOM 138 N GLY A 9 12.855 -3.856 -29.509 1.00 0.00 N ATOM 139 CA GLY A 9 12.560 -2.814 -30.535 1.00 0.00 C ATOM 140 C GLY A 9 11.491 -1.871 -29.981 1.00 0.00 C ATOM 141 O GLY A 9 11.407 -0.717 -30.351 1.00 0.00 O ATOM 0 H GLY A 9 12.913 -4.812 -29.860 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.465 -2.258 -30.780 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.212 -3.279 -31.457 1.00 0.00 H new ATOM 145 N LYS A 10 10.676 -2.362 -29.085 1.00 0.00 N ATOM 146 CA LYS A 10 9.609 -1.518 -28.482 1.00 0.00 C ATOM 147 C LYS A 10 8.762 -2.390 -27.556 1.00 0.00 C ATOM 148 O LYS A 10 7.628 -2.710 -27.852 1.00 0.00 O ATOM 149 CB LYS A 10 8.727 -0.930 -29.587 1.00 0.00 C ATOM 150 CG LYS A 10 8.969 0.577 -29.690 1.00 0.00 C ATOM 151 CD LYS A 10 8.228 1.133 -30.908 1.00 0.00 C ATOM 152 CE LYS A 10 6.919 1.782 -30.456 1.00 0.00 C ATOM 153 NZ LYS A 10 5.886 1.604 -31.516 1.00 0.00 N ATOM 0 H LYS A 10 10.707 -3.323 -28.743 1.00 0.00 H new ATOM 0 HA LYS A 10 10.057 -0.701 -27.917 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.951 -1.410 -30.539 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.677 -1.126 -29.371 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.624 1.074 -28.783 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.037 0.779 -29.777 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.850 1.865 -31.423 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.023 0.333 -31.619 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.580 1.331 -29.523 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.075 2.843 -30.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.995 2.045 -31.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.210 2.053 -32.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.731 0.589 -31.683 1.00 0.00 H new ATOM 167 N LEU A 11 9.311 -2.789 -26.440 1.00 0.00 N ATOM 168 CA LEU A 11 8.543 -3.653 -25.501 1.00 0.00 C ATOM 169 C LEU A 11 7.707 -2.789 -24.550 1.00 0.00 C ATOM 170 O LEU A 11 7.278 -3.239 -23.507 1.00 0.00 O ATOM 171 CB LEU A 11 9.511 -4.533 -24.709 1.00 0.00 C ATOM 172 CG LEU A 11 10.411 -3.660 -23.843 1.00 0.00 C ATOM 173 CD1 LEU A 11 10.316 -4.132 -22.398 1.00 0.00 C ATOM 174 CD2 LEU A 11 11.857 -3.786 -24.314 1.00 0.00 C ATOM 0 H LEU A 11 10.257 -2.554 -26.139 1.00 0.00 H new ATOM 0 HA LEU A 11 7.866 -4.290 -26.070 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.954 -5.230 -24.083 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.116 -5.130 -25.392 1.00 0.00 H new ATOM 0 HG LEU A 11 10.094 -2.620 -23.920 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.957 -3.513 -21.770 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.284 -4.050 -22.056 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.639 -5.171 -22.333 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.498 -3.160 -23.693 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.176 -4.825 -24.234 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.931 -3.463 -25.352 1.00 0.00 H new ATOM 186 N ASP A 12 7.461 -1.556 -24.919 1.00 0.00 N ATOM 187 CA ASP A 12 6.637 -0.651 -24.060 1.00 0.00 C ATOM 188 C ASP A 12 6.958 0.805 -24.406 1.00 0.00 C ATOM 189 O ASP A 12 8.009 1.315 -24.071 1.00 0.00 O ATOM 190 CB ASP A 12 6.944 -0.900 -22.581 1.00 0.00 C ATOM 191 CG ASP A 12 8.444 -1.111 -22.395 1.00 0.00 C ATOM 192 OD1 ASP A 12 9.182 -0.831 -23.326 1.00 0.00 O ATOM 193 OD2 ASP A 12 8.829 -1.550 -21.325 1.00 0.00 O ATOM 0 H ASP A 12 7.798 -1.135 -25.785 1.00 0.00 H new ATOM 0 HA ASP A 12 5.581 -0.852 -24.242 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.609 -0.053 -21.983 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.398 -1.775 -22.229 1.00 0.00 H new ATOM 198 N LYS A 13 6.062 1.476 -25.077 1.00 0.00 N ATOM 199 CA LYS A 13 6.318 2.897 -25.446 1.00 0.00 C ATOM 200 C LYS A 13 4.989 3.607 -25.711 1.00 0.00 C ATOM 201 O LYS A 13 4.208 3.193 -26.544 1.00 0.00 O ATOM 202 CB LYS A 13 7.180 2.946 -26.710 1.00 0.00 C ATOM 203 CG LYS A 13 8.504 3.647 -26.398 1.00 0.00 C ATOM 204 CD LYS A 13 9.445 3.518 -27.598 1.00 0.00 C ATOM 205 CE LYS A 13 10.447 2.392 -27.342 1.00 0.00 C ATOM 206 NZ LYS A 13 11.822 2.960 -27.261 1.00 0.00 N ATOM 0 H LYS A 13 5.165 1.102 -25.385 1.00 0.00 H new ATOM 0 HA LYS A 13 6.838 3.395 -24.628 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.368 1.936 -27.074 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.653 3.477 -27.502 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.327 4.699 -26.173 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.962 3.205 -25.514 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.872 3.311 -28.502 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.972 4.458 -27.763 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.200 1.875 -26.415 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.393 1.654 -28.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.504 2.195 -27.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.055 3.434 -28.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.868 3.648 -26.483 1.00 0.00 H new ATOM 220 N THR A 14 4.728 4.674 -25.008 1.00 0.00 N ATOM 221 CA THR A 14 3.453 5.414 -25.217 1.00 0.00 C ATOM 222 C THR A 14 2.284 4.432 -25.216 1.00 0.00 C ATOM 223 O THR A 14 1.517 4.359 -26.155 1.00 0.00 O ATOM 224 CB THR A 14 3.508 6.155 -26.553 1.00 0.00 C ATOM 225 OG1 THR A 14 3.938 5.265 -27.572 1.00 0.00 O ATOM 226 CG2 THR A 14 4.489 7.321 -26.441 1.00 0.00 C ATOM 0 H THR A 14 5.345 5.066 -24.296 1.00 0.00 H new ATOM 0 HA THR A 14 3.314 6.135 -24.411 1.00 0.00 H new ATOM 0 HB THR A 14 2.517 6.535 -26.803 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.666 4.351 -27.344 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.532 7.853 -27.391 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.156 8.003 -25.658 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.480 6.940 -26.193 1.00 0.00 H new ATOM 234 N THR A 15 2.143 3.675 -24.163 1.00 0.00 N ATOM 235 CA THR A 15 1.023 2.697 -24.092 1.00 0.00 C ATOM 236 C THR A 15 0.882 2.193 -22.651 1.00 0.00 C ATOM 237 O THR A 15 1.696 1.419 -22.189 1.00 0.00 O ATOM 238 CB THR A 15 1.323 1.514 -25.016 1.00 0.00 C ATOM 239 OG1 THR A 15 1.252 1.942 -26.369 1.00 0.00 O ATOM 240 CG2 THR A 15 0.299 0.404 -24.776 1.00 0.00 C ATOM 0 H THR A 15 2.756 3.692 -23.348 1.00 0.00 H new ATOM 0 HA THR A 15 0.096 3.178 -24.404 1.00 0.00 H new ATOM 0 HB THR A 15 2.323 1.134 -24.807 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.919 2.863 -26.404 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.514 -0.438 -25.434 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.354 0.076 -23.738 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.702 0.781 -24.984 1.00 0.00 H new ATOM 248 N PRO A 16 -0.148 2.647 -21.980 1.00 0.00 N ATOM 249 CA PRO A 16 -0.415 2.255 -20.584 1.00 0.00 C ATOM 250 C PRO A 16 -1.016 0.846 -20.534 1.00 0.00 C ATOM 251 O PRO A 16 -1.982 0.547 -21.207 1.00 0.00 O ATOM 252 CB PRO A 16 -1.423 3.300 -20.102 1.00 0.00 C ATOM 253 CG PRO A 16 -2.096 3.876 -21.370 1.00 0.00 C ATOM 254 CD PRO A 16 -1.139 3.587 -22.543 1.00 0.00 C ATOM 0 HA PRO A 16 0.482 2.224 -19.966 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.163 2.850 -19.440 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.925 4.087 -19.535 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.068 3.412 -21.539 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.269 4.947 -21.265 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.668 3.148 -23.389 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.663 4.499 -22.903 1.00 0.00 H new ATOM 262 N GLY A 17 -0.448 -0.020 -19.742 1.00 0.00 N ATOM 263 CA GLY A 17 -0.979 -1.410 -19.649 1.00 0.00 C ATOM 264 C GLY A 17 0.186 -2.380 -19.452 1.00 0.00 C ATOM 265 O GLY A 17 1.335 -2.019 -19.606 1.00 0.00 O ATOM 0 H GLY A 17 0.362 0.174 -19.154 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.679 -1.490 -18.817 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.530 -1.663 -20.555 1.00 0.00 H new ATOM 269 N ILE A 18 -0.094 -3.607 -19.110 1.00 0.00 N ATOM 270 CA ILE A 18 1.013 -4.584 -18.903 1.00 0.00 C ATOM 271 C ILE A 18 0.807 -5.801 -19.812 1.00 0.00 C ATOM 272 O ILE A 18 -0.297 -6.259 -20.027 1.00 0.00 O ATOM 273 CB ILE A 18 1.074 -5.008 -17.413 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.286 -6.521 -17.265 1.00 0.00 C ATOM 275 CG2 ILE A 18 -0.218 -4.629 -16.698 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.013 -7.267 -17.590 1.00 0.00 C ATOM 0 H ILE A 18 -1.035 -3.974 -18.966 1.00 0.00 H new ATOM 0 HA ILE A 18 1.963 -4.117 -19.163 1.00 0.00 H new ATOM 0 HB ILE A 18 1.919 -4.485 -16.966 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.082 -6.852 -17.932 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.604 -6.754 -16.249 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.158 -4.934 -15.653 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.362 -3.550 -16.754 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.059 -5.132 -17.175 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.147 -8.340 -17.482 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.798 -6.947 -16.905 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.313 -7.046 -18.614 1.00 0.00 H new ATOM 288 N GLN A 19 1.880 -6.332 -20.324 1.00 0.00 N ATOM 289 CA GLN A 19 1.792 -7.533 -21.201 1.00 0.00 C ATOM 290 C GLN A 19 2.601 -8.662 -20.558 1.00 0.00 C ATOM 291 O GLN A 19 3.036 -8.549 -19.429 1.00 0.00 O ATOM 292 CB GLN A 19 2.373 -7.205 -22.578 1.00 0.00 C ATOM 293 CG GLN A 19 3.736 -6.533 -22.409 1.00 0.00 C ATOM 294 CD GLN A 19 3.611 -5.038 -22.713 1.00 0.00 C ATOM 295 OE1 GLN A 19 2.529 -4.548 -22.971 1.00 0.00 O ATOM 296 NE2 GLN A 19 4.678 -4.288 -22.691 1.00 0.00 N ATOM 0 H GLN A 19 2.826 -5.982 -20.171 1.00 0.00 H new ATOM 0 HA GLN A 19 0.752 -7.837 -21.318 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.475 -8.116 -23.168 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.696 -6.547 -23.123 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.101 -6.679 -21.392 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.464 -6.991 -23.078 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.586 -4.699 -22.474 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.604 -3.290 -22.890 1.00 0.00 H new ATOM 305 N ILE A 20 2.816 -9.746 -21.252 1.00 0.00 N ATOM 306 CA ILE A 20 3.608 -10.854 -20.640 1.00 0.00 C ATOM 307 C ILE A 20 4.407 -11.583 -21.713 1.00 0.00 C ATOM 308 O ILE A 20 4.313 -11.290 -22.886 1.00 0.00 O ATOM 309 CB ILE A 20 2.672 -11.867 -19.970 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.447 -11.154 -19.407 1.00 0.00 C ATOM 311 CG2 ILE A 20 3.410 -12.576 -18.835 1.00 0.00 C ATOM 312 CD1 ILE A 20 0.564 -12.179 -18.695 1.00 0.00 C ATOM 0 H ILE A 20 2.484 -9.913 -22.202 1.00 0.00 H new ATOM 0 HA ILE A 20 4.281 -10.420 -19.900 1.00 0.00 H new ATOM 0 HB ILE A 20 2.353 -12.598 -20.713 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.752 -10.371 -18.712 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.891 -10.669 -20.209 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.743 -13.295 -18.360 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.279 -13.097 -19.236 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.735 -11.842 -18.098 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.316 -11.681 -18.288 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.251 -12.945 -19.404 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.126 -12.643 -17.884 1.00 0.00 H new ATOM 324 N TRP A 21 5.165 -12.559 -21.304 1.00 0.00 N ATOM 325 CA TRP A 21 5.953 -13.368 -22.261 1.00 0.00 C ATOM 326 C TRP A 21 5.756 -14.827 -21.862 1.00 0.00 C ATOM 327 O TRP A 21 5.992 -15.204 -20.731 1.00 0.00 O ATOM 328 CB TRP A 21 7.432 -12.992 -22.194 1.00 0.00 C ATOM 329 CG TRP A 21 7.676 -11.781 -23.039 1.00 0.00 C ATOM 330 CD1 TRP A 21 8.240 -11.786 -24.272 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.369 -10.390 -22.736 1.00 0.00 C ATOM 332 NE1 TRP A 21 8.297 -10.482 -24.738 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.773 -9.587 -23.826 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.785 -9.756 -21.627 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.602 -8.200 -23.812 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.611 -8.365 -21.611 1.00 0.00 C ATOM 337 CH2 TRP A 21 7.018 -7.588 -22.701 1.00 0.00 C ATOM 0 H TRP A 21 5.271 -12.832 -20.327 1.00 0.00 H new ATOM 0 HA TRP A 21 5.623 -13.192 -23.285 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.722 -12.793 -21.162 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.046 -13.822 -22.543 1.00 0.00 H new ATOM 0 HD1 TRP A 21 8.587 -12.660 -24.803 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.680 -10.215 -25.645 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.467 -10.345 -20.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 7.920 -7.605 -24.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.160 -7.890 -20.752 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.881 -6.517 -22.683 1.00 0.00 H new ATOM 348 N ARG A 22 5.270 -15.638 -22.752 1.00 0.00 N ATOM 349 CA ARG A 22 4.996 -17.051 -22.383 1.00 0.00 C ATOM 350 C ARG A 22 6.250 -17.924 -22.458 1.00 0.00 C ATOM 351 O ARG A 22 6.948 -17.969 -23.451 1.00 0.00 O ATOM 352 CB ARG A 22 3.931 -17.620 -23.323 1.00 0.00 C ATOM 353 CG ARG A 22 4.432 -17.544 -24.767 1.00 0.00 C ATOM 354 CD ARG A 22 3.252 -17.273 -25.702 1.00 0.00 C ATOM 355 NE ARG A 22 3.327 -18.188 -26.876 1.00 0.00 N ATOM 356 CZ ARG A 22 2.336 -18.244 -27.724 1.00 0.00 C ATOM 357 NH1 ARG A 22 1.824 -17.143 -28.204 1.00 0.00 N ATOM 358 NH2 ARG A 22 1.857 -19.400 -28.092 1.00 0.00 N ATOM 0 H ARG A 22 5.051 -15.387 -23.716 1.00 0.00 H new ATOM 0 HA ARG A 22 4.647 -17.061 -21.350 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.711 -18.654 -23.057 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.002 -17.059 -23.219 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.176 -16.753 -24.864 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.922 -18.478 -25.043 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.312 -17.422 -25.171 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.269 -16.235 -26.035 1.00 0.00 H new ATOM 0 HE ARG A 22 4.152 -18.770 -27.017 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.198 -16.239 -27.916 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.050 -17.187 -28.867 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.257 -20.260 -27.717 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.083 -19.444 -28.755 1.00 0.00 H new ATOM 372 N ILE A 23 6.490 -18.657 -21.405 1.00 0.00 N ATOM 373 CA ILE A 23 7.636 -19.605 -21.351 1.00 0.00 C ATOM 374 C ILE A 23 7.017 -20.991 -21.095 1.00 0.00 C ATOM 375 O ILE A 23 7.622 -21.905 -20.573 1.00 0.00 O ATOM 376 CB ILE A 23 8.593 -19.161 -20.220 1.00 0.00 C ATOM 377 CG1 ILE A 23 9.732 -18.342 -20.830 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.189 -20.360 -19.477 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.793 -16.971 -20.157 1.00 0.00 C ATOM 0 H ILE A 23 5.923 -18.636 -20.558 1.00 0.00 H new ATOM 0 HA ILE A 23 8.225 -19.630 -22.268 1.00 0.00 H new ATOM 0 HB ILE A 23 8.022 -18.568 -19.505 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.680 -18.865 -20.700 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.576 -18.226 -21.903 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.856 -20.006 -18.691 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.386 -20.949 -19.034 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.750 -20.979 -20.177 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.605 -16.388 -20.592 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.849 -16.448 -20.310 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.969 -17.098 -19.089 1.00 0.00 H new ATOM 391 N GLU A 24 5.774 -21.123 -21.481 1.00 0.00 N ATOM 392 CA GLU A 24 5.024 -22.399 -21.290 1.00 0.00 C ATOM 393 C GLU A 24 5.673 -23.516 -22.094 1.00 0.00 C ATOM 394 O GLU A 24 5.943 -24.585 -21.580 1.00 0.00 O ATOM 395 CB GLU A 24 3.581 -22.203 -21.759 1.00 0.00 C ATOM 396 CG GLU A 24 3.572 -21.725 -23.214 1.00 0.00 C ATOM 397 CD GLU A 24 2.251 -21.012 -23.510 1.00 0.00 C ATOM 398 OE1 GLU A 24 1.692 -20.437 -22.590 1.00 0.00 O ATOM 399 OE2 GLU A 24 1.822 -21.053 -24.651 1.00 0.00 O ATOM 0 H GLU A 24 5.236 -20.382 -21.931 1.00 0.00 H new ATOM 0 HA GLU A 24 5.039 -22.672 -20.235 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.029 -23.139 -21.670 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.078 -21.474 -21.124 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.409 -21.050 -23.391 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.698 -22.573 -23.887 1.00 0.00 H new ATOM 406 N ASN A 25 5.939 -23.286 -23.346 1.00 0.00 N ATOM 407 CA ASN A 25 6.585 -24.342 -24.166 1.00 0.00 C ATOM 408 C ASN A 25 8.095 -24.247 -23.968 1.00 0.00 C ATOM 409 O ASN A 25 8.861 -24.332 -24.906 1.00 0.00 O ATOM 410 CB ASN A 25 6.243 -24.129 -25.642 1.00 0.00 C ATOM 411 CG ASN A 25 6.976 -22.893 -26.164 1.00 0.00 C ATOM 412 OD1 ASN A 25 7.104 -21.907 -25.464 1.00 0.00 O ATOM 413 ND2 ASN A 25 7.469 -22.902 -27.372 1.00 0.00 N ATOM 0 H ASN A 25 5.738 -22.414 -23.836 1.00 0.00 H new ATOM 0 HA ASN A 25 6.228 -25.326 -23.861 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.529 -25.006 -26.222 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.167 -24.004 -25.762 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.961 -22.083 -27.728 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.362 -23.728 -27.960 1.00 0.00 H new ATOM 420 N MET A 26 8.529 -24.056 -22.750 1.00 0.00 N ATOM 421 CA MET A 26 9.982 -23.941 -22.498 1.00 0.00 C ATOM 422 C MET A 26 10.565 -22.950 -23.503 1.00 0.00 C ATOM 423 O MET A 26 11.682 -23.091 -23.962 1.00 0.00 O ATOM 424 CB MET A 26 10.623 -25.318 -22.665 1.00 0.00 C ATOM 425 CG MET A 26 9.819 -26.340 -21.854 1.00 0.00 C ATOM 426 SD MET A 26 9.796 -25.845 -20.113 1.00 0.00 S ATOM 427 CE MET A 26 11.568 -26.031 -19.797 1.00 0.00 C ATOM 0 H MET A 26 7.935 -23.976 -21.924 1.00 0.00 H new ATOM 0 HA MET A 26 10.177 -23.585 -21.486 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.640 -25.601 -23.717 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.658 -25.296 -22.324 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.801 -26.405 -22.238 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.262 -27.331 -21.956 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.774 -25.823 -18.747 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.875 -27.050 -20.032 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.124 -25.332 -20.421 1.00 0.00 H new ATOM 437 N GLU A 27 9.804 -21.942 -23.848 1.00 0.00 N ATOM 438 CA GLU A 27 10.298 -20.931 -24.825 1.00 0.00 C ATOM 439 C GLU A 27 9.624 -19.591 -24.538 1.00 0.00 C ATOM 440 O GLU A 27 8.422 -19.515 -24.379 1.00 0.00 O ATOM 441 CB GLU A 27 9.953 -21.384 -26.245 1.00 0.00 C ATOM 442 CG GLU A 27 11.159 -21.164 -27.158 1.00 0.00 C ATOM 443 CD GLU A 27 10.744 -21.374 -28.615 1.00 0.00 C ATOM 444 OE1 GLU A 27 9.867 -20.658 -29.069 1.00 0.00 O ATOM 445 OE2 GLU A 27 11.310 -22.246 -29.252 1.00 0.00 O ATOM 0 H GLU A 27 8.862 -21.778 -23.494 1.00 0.00 H new ATOM 0 HA GLU A 27 11.379 -20.826 -24.733 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.672 -22.437 -26.244 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.095 -20.825 -26.618 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.551 -20.156 -27.023 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.959 -21.856 -26.894 1.00 0.00 H new ATOM 452 N MET A 28 10.382 -18.532 -24.461 1.00 0.00 N ATOM 453 CA MET A 28 9.769 -17.208 -24.171 1.00 0.00 C ATOM 454 C MET A 28 9.186 -16.605 -25.447 1.00 0.00 C ATOM 455 O MET A 28 9.766 -16.674 -26.512 1.00 0.00 O ATOM 456 CB MET A 28 10.823 -16.259 -23.598 1.00 0.00 C ATOM 457 CG MET A 28 10.143 -15.262 -22.658 1.00 0.00 C ATOM 458 SD MET A 28 10.425 -13.576 -23.256 1.00 0.00 S ATOM 459 CE MET A 28 10.177 -12.735 -21.673 1.00 0.00 C ATOM 0 H MET A 28 11.394 -18.527 -24.586 1.00 0.00 H new ATOM 0 HA MET A 28 8.970 -17.347 -23.443 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.584 -16.824 -23.060 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.330 -15.729 -24.405 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.074 -15.466 -22.606 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.538 -15.371 -21.648 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.748 -11.749 -21.848 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.499 -13.321 -21.052 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.135 -12.628 -21.164 1.00 0.00 H new ATOM 469 N VAL A 29 8.036 -16.009 -25.331 1.00 0.00 N ATOM 470 CA VAL A 29 7.378 -15.382 -26.509 1.00 0.00 C ATOM 471 C VAL A 29 6.669 -14.115 -26.026 1.00 0.00 C ATOM 472 O VAL A 29 6.219 -14.065 -24.907 1.00 0.00 O ATOM 473 CB VAL A 29 6.386 -16.394 -27.110 1.00 0.00 C ATOM 474 CG1 VAL A 29 5.076 -15.718 -27.539 1.00 0.00 C ATOM 475 CG2 VAL A 29 7.037 -17.049 -28.326 1.00 0.00 C ATOM 0 H VAL A 29 7.516 -15.928 -24.458 1.00 0.00 H new ATOM 0 HA VAL A 29 8.096 -15.111 -27.283 1.00 0.00 H new ATOM 0 HB VAL A 29 6.145 -17.136 -26.349 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.402 -16.465 -27.958 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.607 -15.251 -26.673 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.288 -14.958 -28.291 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.347 -17.770 -28.764 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.281 -16.285 -29.064 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.949 -17.561 -28.019 1.00 0.00 H new ATOM 485 N PRO A 30 6.605 -13.126 -26.875 1.00 0.00 N ATOM 486 CA PRO A 30 5.970 -11.838 -26.538 1.00 0.00 C ATOM 487 C PRO A 30 4.444 -11.962 -26.468 1.00 0.00 C ATOM 488 O PRO A 30 3.747 -11.735 -27.434 1.00 0.00 O ATOM 489 CB PRO A 30 6.410 -10.911 -27.675 1.00 0.00 C ATOM 490 CG PRO A 30 6.797 -11.827 -28.858 1.00 0.00 C ATOM 491 CD PRO A 30 7.145 -13.198 -28.249 1.00 0.00 C ATOM 0 HA PRO A 30 6.265 -11.468 -25.556 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.605 -10.232 -27.956 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.255 -10.294 -27.369 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.974 -11.914 -29.567 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.647 -11.418 -29.405 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.692 -14.012 -28.814 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.221 -13.372 -28.246 1.00 0.00 H new ATOM 499 N VAL A 31 3.928 -12.304 -25.314 1.00 0.00 N ATOM 500 CA VAL A 31 2.452 -12.431 -25.150 1.00 0.00 C ATOM 501 C VAL A 31 1.808 -11.045 -25.291 1.00 0.00 C ATOM 502 O VAL A 31 2.002 -10.192 -24.444 1.00 0.00 O ATOM 503 CB VAL A 31 2.144 -12.979 -23.753 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.656 -13.315 -23.650 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.967 -14.241 -23.500 1.00 0.00 C ATOM 0 H VAL A 31 4.472 -12.502 -24.474 1.00 0.00 H new ATOM 0 HA VAL A 31 2.057 -13.105 -25.910 1.00 0.00 H new ATOM 0 HB VAL A 31 2.400 -12.225 -23.009 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.439 -13.705 -22.655 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.067 -12.415 -23.823 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.400 -14.066 -24.398 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.745 -14.627 -22.505 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.716 -14.995 -24.246 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.028 -14.003 -23.568 1.00 0.00 H new ATOM 515 N PRO A 32 1.062 -10.858 -26.353 1.00 0.00 N ATOM 516 CA PRO A 32 0.381 -9.579 -26.625 1.00 0.00 C ATOM 517 C PRO A 32 -0.889 -9.459 -25.777 1.00 0.00 C ATOM 518 O PRO A 32 -1.038 -10.119 -24.768 1.00 0.00 O ATOM 519 CB PRO A 32 0.035 -9.668 -28.114 1.00 0.00 C ATOM 520 CG PRO A 32 0.013 -11.173 -28.470 1.00 0.00 C ATOM 521 CD PRO A 32 0.824 -11.896 -27.377 1.00 0.00 C ATOM 0 HA PRO A 32 0.991 -8.708 -26.384 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.932 -9.207 -28.316 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.773 -9.138 -28.716 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.010 -11.548 -28.505 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.450 -11.345 -29.454 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.272 -12.741 -26.966 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.761 -12.288 -27.771 1.00 0.00 H new ATOM 529 N THR A 33 -1.805 -8.622 -26.181 1.00 0.00 N ATOM 530 CA THR A 33 -3.065 -8.460 -25.401 1.00 0.00 C ATOM 531 C THR A 33 -4.082 -9.495 -25.875 1.00 0.00 C ATOM 532 O THR A 33 -5.103 -9.710 -25.252 1.00 0.00 O ATOM 533 CB THR A 33 -3.648 -7.054 -25.618 1.00 0.00 C ATOM 534 OG1 THR A 33 -4.708 -7.121 -26.563 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.565 -6.117 -26.148 1.00 0.00 C ATOM 0 H THR A 33 -1.735 -8.043 -27.018 1.00 0.00 H new ATOM 0 HA THR A 33 -2.848 -8.599 -24.342 1.00 0.00 H new ATOM 0 HB THR A 33 -4.022 -6.674 -24.667 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.081 -6.225 -26.700 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.986 -5.123 -26.299 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.749 -6.060 -25.428 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.186 -6.498 -27.096 1.00 0.00 H new ATOM 543 N LYS A 34 -3.817 -10.132 -26.982 1.00 0.00 N ATOM 544 CA LYS A 34 -4.776 -11.141 -27.502 1.00 0.00 C ATOM 545 C LYS A 34 -4.485 -12.509 -26.876 1.00 0.00 C ATOM 546 O LYS A 34 -4.774 -13.537 -27.455 1.00 0.00 O ATOM 547 CB LYS A 34 -4.639 -11.237 -29.023 1.00 0.00 C ATOM 548 CG LYS A 34 -6.029 -11.313 -29.658 1.00 0.00 C ATOM 549 CD LYS A 34 -5.912 -11.880 -31.075 1.00 0.00 C ATOM 550 CE LYS A 34 -7.301 -12.266 -31.588 1.00 0.00 C ATOM 551 NZ LYS A 34 -7.302 -13.700 -31.990 1.00 0.00 N ATOM 0 H LYS A 34 -2.979 -9.996 -27.547 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.791 -10.838 -27.244 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.100 -10.370 -29.405 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.057 -12.118 -29.291 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.682 -11.944 -29.055 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.482 -10.322 -29.688 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.461 -11.141 -31.737 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.257 -12.751 -31.076 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.047 -12.094 -30.812 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.574 -11.639 -32.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.246 -13.962 -32.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.601 -13.850 -32.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.060 -14.291 -31.169 1.00 0.00 H new ATOM 565 N SER A 35 -3.917 -12.535 -25.701 1.00 0.00 N ATOM 566 CA SER A 35 -3.613 -13.842 -25.052 1.00 0.00 C ATOM 567 C SER A 35 -3.428 -13.643 -23.546 1.00 0.00 C ATOM 568 O SER A 35 -3.820 -14.470 -22.749 1.00 0.00 O ATOM 569 CB SER A 35 -2.331 -14.421 -25.651 1.00 0.00 C ATOM 570 OG SER A 35 -2.664 -15.293 -26.722 1.00 0.00 O ATOM 0 H SER A 35 -3.651 -11.710 -25.164 1.00 0.00 H new ATOM 0 HA SER A 35 -4.441 -14.530 -25.224 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.688 -13.617 -26.008 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.771 -14.961 -24.888 1.00 0.00 H new ATOM 0 HG SER A 35 -3.410 -14.914 -27.233 1.00 0.00 H new ATOM 576 N TYR A 36 -2.828 -12.553 -23.150 1.00 0.00 N ATOM 577 CA TYR A 36 -2.614 -12.305 -21.696 1.00 0.00 C ATOM 578 C TYR A 36 -3.886 -12.666 -20.921 1.00 0.00 C ATOM 579 O TYR A 36 -4.974 -12.254 -21.269 1.00 0.00 O ATOM 580 CB TYR A 36 -2.265 -10.827 -21.473 1.00 0.00 C ATOM 581 CG TYR A 36 -3.521 -9.984 -21.503 1.00 0.00 C ATOM 582 CD1 TYR A 36 -4.368 -10.025 -22.617 1.00 0.00 C ATOM 583 CD2 TYR A 36 -3.837 -9.163 -20.414 1.00 0.00 C ATOM 584 CE1 TYR A 36 -5.531 -9.245 -22.641 1.00 0.00 C ATOM 585 CE2 TYR A 36 -4.999 -8.383 -20.438 1.00 0.00 C ATOM 586 CZ TYR A 36 -5.846 -8.423 -21.551 1.00 0.00 C ATOM 587 OH TYR A 36 -6.991 -7.654 -21.576 1.00 0.00 O ATOM 0 H TYR A 36 -2.477 -11.824 -23.771 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.791 -12.924 -21.338 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.759 -10.706 -20.515 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.573 -10.489 -22.244 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.125 -10.658 -23.458 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.184 -9.131 -19.555 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.185 -9.277 -23.500 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.242 -7.750 -19.597 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.061 -7.144 -20.742 1.00 0.00 H new ATOM 597 N GLY A 37 -3.757 -13.432 -19.872 1.00 0.00 N ATOM 598 CA GLY A 37 -4.959 -13.816 -19.079 1.00 0.00 C ATOM 599 C GLY A 37 -4.870 -15.292 -18.691 1.00 0.00 C ATOM 600 O GLY A 37 -4.638 -15.630 -17.547 1.00 0.00 O ATOM 0 H GLY A 37 -2.873 -13.808 -19.530 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.029 -13.198 -18.184 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.863 -13.637 -19.661 1.00 0.00 H new ATOM 604 N ASN A 38 -5.055 -16.176 -19.632 1.00 0.00 N ATOM 605 CA ASN A 38 -4.982 -17.630 -19.313 1.00 0.00 C ATOM 606 C ASN A 38 -3.567 -18.143 -19.587 1.00 0.00 C ATOM 607 O ASN A 38 -3.219 -18.470 -20.704 1.00 0.00 O ATOM 608 CB ASN A 38 -5.980 -18.396 -20.182 1.00 0.00 C ATOM 609 CG ASN A 38 -7.393 -17.871 -19.921 1.00 0.00 C ATOM 610 OD1 ASN A 38 -7.573 -16.912 -19.196 1.00 0.00 O ATOM 611 ND2 ASN A 38 -8.410 -18.462 -20.485 1.00 0.00 N ATOM 0 H ASN A 38 -5.254 -15.955 -20.608 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.226 -17.782 -18.262 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.726 -18.279 -21.235 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.930 -19.462 -19.959 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.356 -18.119 -20.318 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.259 -19.267 -21.093 1.00 0.00 H new ATOM 618 N PHE A 39 -2.748 -18.219 -18.573 1.00 0.00 N ATOM 619 CA PHE A 39 -1.355 -18.716 -18.777 1.00 0.00 C ATOM 620 C PHE A 39 -1.156 -20.003 -17.969 1.00 0.00 C ATOM 621 O PHE A 39 -1.460 -20.061 -16.795 1.00 0.00 O ATOM 622 CB PHE A 39 -0.340 -17.654 -18.326 1.00 0.00 C ATOM 623 CG PHE A 39 -0.991 -16.659 -17.389 1.00 0.00 C ATOM 624 CD1 PHE A 39 -1.173 -16.984 -16.040 1.00 0.00 C ATOM 625 CD2 PHE A 39 -1.406 -15.410 -17.870 1.00 0.00 C ATOM 626 CE1 PHE A 39 -1.771 -16.064 -15.172 1.00 0.00 C ATOM 627 CE2 PHE A 39 -2.005 -14.490 -17.001 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.187 -14.817 -15.653 1.00 0.00 C ATOM 0 H PHE A 39 -2.981 -17.960 -17.615 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.197 -18.920 -19.836 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.501 -18.136 -17.827 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.061 -17.134 -19.196 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.852 -17.946 -15.669 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.264 -15.157 -18.910 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.912 -16.316 -14.131 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.327 -13.528 -17.371 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.649 -14.107 -14.983 1.00 0.00 H new ATOM 638 N TYR A 40 -0.656 -21.037 -18.597 1.00 0.00 N ATOM 639 CA TYR A 40 -0.446 -22.332 -17.881 1.00 0.00 C ATOM 640 C TYR A 40 0.077 -22.074 -16.466 1.00 0.00 C ATOM 641 O TYR A 40 0.704 -21.069 -16.199 1.00 0.00 O ATOM 642 CB TYR A 40 0.569 -23.182 -18.649 1.00 0.00 C ATOM 643 CG TYR A 40 0.040 -23.471 -20.034 1.00 0.00 C ATOM 644 CD1 TYR A 40 -0.988 -24.403 -20.209 1.00 0.00 C ATOM 645 CD2 TYR A 40 0.578 -22.808 -21.142 1.00 0.00 C ATOM 646 CE1 TYR A 40 -1.479 -24.672 -21.493 1.00 0.00 C ATOM 647 CE2 TYR A 40 0.088 -23.076 -22.426 1.00 0.00 C ATOM 648 CZ TYR A 40 -0.941 -24.009 -22.601 1.00 0.00 C ATOM 649 OH TYR A 40 -1.423 -24.275 -23.867 1.00 0.00 O ATOM 0 H TYR A 40 -0.383 -21.040 -19.580 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.398 -22.860 -17.819 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.522 -22.658 -18.715 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.754 -24.115 -18.117 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.403 -24.915 -19.354 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.372 -22.089 -21.007 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.273 -25.391 -21.628 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.504 -22.563 -23.281 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.941 -23.728 -24.522 1.00 0.00 H new ATOM 659 N GLU A 41 -0.186 -22.974 -15.556 1.00 0.00 N ATOM 660 CA GLU A 41 0.286 -22.783 -14.156 1.00 0.00 C ATOM 661 C GLU A 41 1.665 -23.413 -13.974 1.00 0.00 C ATOM 662 O GLU A 41 2.475 -22.940 -13.202 1.00 0.00 O ATOM 663 CB GLU A 41 -0.707 -23.434 -13.187 1.00 0.00 C ATOM 664 CG GLU A 41 -0.541 -24.957 -13.222 1.00 0.00 C ATOM 665 CD GLU A 41 -1.443 -25.591 -12.160 1.00 0.00 C ATOM 666 OE1 GLU A 41 -0.987 -25.741 -11.039 1.00 0.00 O ATOM 667 OE2 GLU A 41 -2.572 -25.915 -12.487 1.00 0.00 O ATOM 0 H GLU A 41 -0.708 -23.834 -15.723 1.00 0.00 H new ATOM 0 HA GLU A 41 0.354 -21.715 -13.948 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.539 -23.064 -12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.727 -23.163 -13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.799 -25.339 -14.210 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.499 -25.225 -13.038 1.00 0.00 H new ATOM 674 N GLY A 42 1.935 -24.482 -14.664 1.00 0.00 N ATOM 675 CA GLY A 42 3.258 -25.139 -14.507 1.00 0.00 C ATOM 676 C GLY A 42 4.245 -24.584 -15.537 1.00 0.00 C ATOM 677 O GLY A 42 4.725 -25.304 -16.391 1.00 0.00 O ATOM 0 H GLY A 42 1.300 -24.928 -15.327 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.639 -24.972 -13.500 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.155 -26.217 -14.634 1.00 0.00 H new ATOM 681 N ASP A 43 4.571 -23.319 -15.449 1.00 0.00 N ATOM 682 CA ASP A 43 5.542 -22.731 -16.421 1.00 0.00 C ATOM 683 C ASP A 43 6.086 -21.400 -15.879 1.00 0.00 C ATOM 684 O ASP A 43 6.275 -21.230 -14.691 1.00 0.00 O ATOM 685 CB ASP A 43 4.845 -22.473 -17.765 1.00 0.00 C ATOM 686 CG ASP A 43 4.017 -23.688 -18.182 1.00 0.00 C ATOM 687 OD1 ASP A 43 2.911 -23.825 -17.686 1.00 0.00 O ATOM 688 OD2 ASP A 43 4.503 -24.461 -18.991 1.00 0.00 O ATOM 0 H ASP A 43 4.209 -22.671 -14.750 1.00 0.00 H new ATOM 0 HA ASP A 43 6.364 -23.433 -16.561 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.201 -21.597 -17.685 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.589 -22.253 -18.531 1.00 0.00 H new ATOM 693 N CYS A 44 6.333 -20.455 -16.756 1.00 0.00 N ATOM 694 CA CYS A 44 6.856 -19.126 -16.326 1.00 0.00 C ATOM 695 C CYS A 44 6.350 -18.062 -17.303 1.00 0.00 C ATOM 696 O CYS A 44 6.236 -18.300 -18.489 1.00 0.00 O ATOM 697 CB CYS A 44 8.386 -19.154 -16.348 1.00 0.00 C ATOM 698 SG CYS A 44 8.991 -20.273 -15.061 1.00 0.00 S ATOM 0 H CYS A 44 6.192 -20.553 -17.761 1.00 0.00 H new ATOM 0 HA CYS A 44 6.514 -18.896 -15.317 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.740 -19.482 -17.325 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.781 -18.151 -16.187 1.00 0.00 H new ATOM 0 HG CYS A 44 7.981 -20.817 -14.449 1.00 0.00 H new ATOM 704 N TYR A 45 6.037 -16.894 -16.815 1.00 0.00 N ATOM 705 CA TYR A 45 5.529 -15.820 -17.716 1.00 0.00 C ATOM 706 C TYR A 45 6.130 -14.477 -17.294 1.00 0.00 C ATOM 707 O TYR A 45 5.820 -13.955 -16.243 1.00 0.00 O ATOM 708 CB TYR A 45 4.008 -15.741 -17.592 1.00 0.00 C ATOM 709 CG TYR A 45 3.374 -16.907 -18.308 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.492 -18.198 -17.784 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.659 -16.694 -19.492 1.00 0.00 C ATOM 712 CE1 TYR A 45 2.896 -19.277 -18.442 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.064 -17.775 -20.152 1.00 0.00 C ATOM 714 CZ TYR A 45 2.181 -19.067 -19.627 1.00 0.00 C ATOM 715 OH TYR A 45 1.592 -20.132 -20.276 1.00 0.00 O ATOM 0 H TYR A 45 6.111 -16.636 -15.831 1.00 0.00 H new ATOM 0 HA TYR A 45 5.810 -16.044 -18.745 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.719 -15.748 -16.541 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.648 -14.803 -18.016 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.044 -18.361 -16.870 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.567 -15.697 -19.896 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.987 -20.274 -18.036 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.514 -17.612 -21.067 1.00 0.00 H new ATOM 0 HH TYR A 45 1.506 -19.926 -21.230 1.00 0.00 H new ATOM 725 N VAL A 46 6.975 -13.901 -18.106 1.00 0.00 N ATOM 726 CA VAL A 46 7.569 -12.585 -17.735 1.00 0.00 C ATOM 727 C VAL A 46 6.546 -11.489 -18.028 1.00 0.00 C ATOM 728 O VAL A 46 6.012 -11.404 -19.109 1.00 0.00 O ATOM 729 CB VAL A 46 8.837 -12.341 -18.555 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.378 -10.942 -18.255 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.892 -13.385 -18.184 1.00 0.00 C ATOM 0 H VAL A 46 7.278 -14.281 -19.003 1.00 0.00 H new ATOM 0 HA VAL A 46 7.828 -12.579 -16.676 1.00 0.00 H new ATOM 0 HB VAL A 46 8.604 -12.420 -19.617 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.282 -10.768 -18.839 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.627 -10.197 -18.518 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.612 -10.862 -17.193 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.796 -13.212 -18.768 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.125 -13.305 -17.122 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.508 -14.382 -18.397 1.00 0.00 H new ATOM 741 N LEU A 47 6.250 -10.661 -17.070 1.00 0.00 N ATOM 742 CA LEU A 47 5.237 -9.592 -17.303 1.00 0.00 C ATOM 743 C LEU A 47 5.931 -8.227 -17.400 1.00 0.00 C ATOM 744 O LEU A 47 7.065 -8.068 -17.002 1.00 0.00 O ATOM 745 CB LEU A 47 4.244 -9.608 -16.134 1.00 0.00 C ATOM 746 CG LEU A 47 3.206 -8.502 -16.302 1.00 0.00 C ATOM 747 CD1 LEU A 47 1.888 -8.940 -15.660 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.712 -7.231 -15.615 1.00 0.00 C ATOM 0 H LEU A 47 6.663 -10.675 -16.137 1.00 0.00 H new ATOM 0 HA LEU A 47 4.707 -9.770 -18.239 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.747 -10.577 -16.084 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.778 -9.474 -15.193 1.00 0.00 H new ATOM 0 HG LEU A 47 3.044 -8.306 -17.362 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.145 -8.151 -15.779 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.532 -9.849 -16.144 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.046 -9.132 -14.599 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.975 -6.436 -15.731 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.869 -7.428 -14.555 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.653 -6.922 -16.069 1.00 0.00 H new ATOM 760 N LEU A 48 5.259 -7.241 -17.935 1.00 0.00 N ATOM 761 CA LEU A 48 5.879 -5.889 -18.060 1.00 0.00 C ATOM 762 C LEU A 48 4.777 -4.830 -18.015 1.00 0.00 C ATOM 763 O LEU A 48 3.929 -4.766 -18.880 1.00 0.00 O ATOM 764 CB LEU A 48 6.637 -5.783 -19.387 1.00 0.00 C ATOM 765 CG LEU A 48 7.008 -4.323 -19.645 1.00 0.00 C ATOM 766 CD1 LEU A 48 7.704 -3.744 -18.412 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.955 -4.245 -20.843 1.00 0.00 C ATOM 0 H LEU A 48 4.306 -7.314 -18.291 1.00 0.00 H new ATOM 0 HA LEU A 48 6.578 -5.732 -17.239 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.536 -6.398 -19.355 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.020 -6.162 -20.202 1.00 0.00 H new ATOM 0 HG LEU A 48 6.104 -3.751 -19.853 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.968 -2.703 -18.598 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.033 -3.801 -17.555 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.608 -4.315 -18.203 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.221 -3.205 -21.029 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.858 -4.818 -20.631 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.462 -4.657 -21.724 1.00 0.00 H new ATOM 779 N SER A 49 4.771 -4.004 -17.006 1.00 0.00 N ATOM 780 CA SER A 49 3.711 -2.965 -16.906 1.00 0.00 C ATOM 781 C SER A 49 4.300 -1.584 -17.152 1.00 0.00 C ATOM 782 O SER A 49 5.317 -1.211 -16.603 1.00 0.00 O ATOM 783 CB SER A 49 3.085 -3.013 -15.512 1.00 0.00 C ATOM 784 OG SER A 49 1.788 -2.433 -15.558 1.00 0.00 O ATOM 0 H SER A 49 5.453 -4.004 -16.248 1.00 0.00 H new ATOM 0 HA SER A 49 2.949 -3.161 -17.660 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.022 -4.044 -15.164 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.711 -2.474 -14.801 1.00 0.00 H new ATOM 0 HG SER A 49 1.257 -2.759 -14.802 1.00 0.00 H new ATOM 790 N THR A 50 3.655 -0.829 -17.986 1.00 0.00 N ATOM 791 CA THR A 50 4.145 0.535 -18.302 1.00 0.00 C ATOM 792 C THR A 50 3.014 1.541 -18.051 1.00 0.00 C ATOM 793 O THR A 50 1.954 1.455 -18.639 1.00 0.00 O ATOM 794 CB THR A 50 4.567 0.557 -19.773 1.00 0.00 C ATOM 795 OG1 THR A 50 5.899 0.078 -19.883 1.00 0.00 O ATOM 796 CG2 THR A 50 4.487 1.980 -20.334 1.00 0.00 C ATOM 0 H THR A 50 2.799 -1.101 -18.469 1.00 0.00 H new ATOM 0 HA THR A 50 4.995 0.803 -17.674 1.00 0.00 H new ATOM 0 HB THR A 50 3.893 -0.081 -20.345 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.495 0.819 -20.121 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.791 1.976 -21.381 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.463 2.345 -20.255 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.150 2.633 -19.766 1.00 0.00 H new ATOM 804 N ARG A 51 3.229 2.490 -17.180 1.00 0.00 N ATOM 805 CA ARG A 51 2.164 3.492 -16.895 1.00 0.00 C ATOM 806 C ARG A 51 2.723 4.902 -17.088 1.00 0.00 C ATOM 807 O ARG A 51 3.917 5.120 -17.028 1.00 0.00 O ATOM 808 CB ARG A 51 1.683 3.329 -15.452 1.00 0.00 C ATOM 809 CG ARG A 51 2.820 3.684 -14.491 1.00 0.00 C ATOM 810 CD ARG A 51 2.373 3.423 -13.052 1.00 0.00 C ATOM 811 NE ARG A 51 2.310 1.954 -12.811 1.00 0.00 N ATOM 812 CZ ARG A 51 2.546 1.478 -11.618 1.00 0.00 C ATOM 813 NH1 ARG A 51 2.403 2.243 -10.571 1.00 0.00 N ATOM 814 NH2 ARG A 51 2.923 0.237 -11.474 1.00 0.00 N ATOM 0 H ARG A 51 4.095 2.614 -16.655 1.00 0.00 H new ATOM 0 HA ARG A 51 1.329 3.336 -17.577 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.823 3.974 -15.269 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.355 2.304 -15.281 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.704 3.090 -14.722 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.099 4.731 -14.612 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.069 3.888 -12.354 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.396 3.874 -12.876 1.00 0.00 H new ATOM 0 HE ARG A 51 2.083 1.320 -13.577 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.107 3.212 -10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.587 1.872 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.033 -0.361 -12.293 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.107 -0.135 -10.542 1.00 0.00 H new ATOM 828 N LYS A 52 1.872 5.862 -17.321 1.00 0.00 N ATOM 829 CA LYS A 52 2.359 7.256 -17.515 1.00 0.00 C ATOM 830 C LYS A 52 2.785 7.839 -16.167 1.00 0.00 C ATOM 831 O LYS A 52 2.277 7.463 -15.129 1.00 0.00 O ATOM 832 CB LYS A 52 1.239 8.110 -18.113 1.00 0.00 C ATOM 833 CG LYS A 52 -0.026 7.958 -17.266 1.00 0.00 C ATOM 834 CD LYS A 52 -0.464 9.332 -16.750 1.00 0.00 C ATOM 835 CE LYS A 52 -0.766 9.242 -15.254 1.00 0.00 C ATOM 836 NZ LYS A 52 -2.110 9.824 -14.982 1.00 0.00 N ATOM 0 H LYS A 52 0.861 5.742 -17.385 1.00 0.00 H new ATOM 0 HA LYS A 52 3.212 7.252 -18.194 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.543 9.156 -18.147 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.041 7.802 -19.140 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.823 7.510 -17.860 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.163 7.287 -16.428 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.321 10.067 -16.930 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.348 9.671 -17.291 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.736 8.202 -14.928 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.005 9.777 -14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.315 9.763 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.123 10.821 -15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.831 9.295 -15.513 1.00 0.00 H new ATOM 850 N THR A 53 3.714 8.755 -16.172 1.00 0.00 N ATOM 851 CA THR A 53 4.173 9.359 -14.891 1.00 0.00 C ATOM 852 C THR A 53 4.334 10.870 -15.067 1.00 0.00 C ATOM 853 O THR A 53 3.965 11.429 -16.081 1.00 0.00 O ATOM 854 CB THR A 53 5.518 8.748 -14.491 1.00 0.00 C ATOM 855 OG1 THR A 53 6.293 8.510 -15.659 1.00 0.00 O ATOM 856 CG2 THR A 53 5.283 7.428 -13.755 1.00 0.00 C ATOM 0 H THR A 53 4.175 9.111 -17.009 1.00 0.00 H new ATOM 0 HA THR A 53 3.436 9.160 -14.113 1.00 0.00 H new ATOM 0 HB THR A 53 6.050 9.437 -13.835 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.156 8.120 -15.405 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.242 6.994 -13.471 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.688 7.611 -12.860 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.751 6.737 -14.409 1.00 0.00 H new ATOM 864 N GLY A 54 4.883 11.536 -14.089 1.00 0.00 N ATOM 865 CA GLY A 54 5.069 13.010 -14.202 1.00 0.00 C ATOM 866 C GLY A 54 6.363 13.305 -14.962 1.00 0.00 C ATOM 867 O GLY A 54 6.615 14.422 -15.368 1.00 0.00 O ATOM 0 H GLY A 54 5.211 11.123 -13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.220 13.455 -14.721 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.107 13.459 -13.210 1.00 0.00 H new ATOM 871 N SER A 55 7.187 12.310 -15.156 1.00 0.00 N ATOM 872 CA SER A 55 8.464 12.533 -15.890 1.00 0.00 C ATOM 873 C SER A 55 8.377 11.885 -17.272 1.00 0.00 C ATOM 874 O SER A 55 8.894 12.400 -18.244 1.00 0.00 O ATOM 875 CB SER A 55 9.618 11.909 -15.104 1.00 0.00 C ATOM 876 OG SER A 55 9.776 10.553 -15.502 1.00 0.00 O ATOM 0 H SER A 55 7.030 11.354 -14.838 1.00 0.00 H new ATOM 0 HA SER A 55 8.638 13.603 -16.002 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.539 12.463 -15.285 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.417 11.965 -14.034 1.00 0.00 H new ATOM 0 HG SER A 55 10.516 10.149 -15.002 1.00 0.00 H new ATOM 882 N GLY A 56 7.728 10.757 -17.369 1.00 0.00 N ATOM 883 CA GLY A 56 7.608 10.076 -18.690 1.00 0.00 C ATOM 884 C GLY A 56 6.850 8.759 -18.519 1.00 0.00 C ATOM 885 O GLY A 56 5.639 8.737 -18.425 1.00 0.00 O ATOM 0 H GLY A 56 7.276 10.277 -16.591 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.084 10.720 -19.397 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.598 9.887 -19.105 1.00 0.00 H new ATOM 889 N PHE A 57 7.552 7.659 -18.476 1.00 0.00 N ATOM 890 CA PHE A 57 6.870 6.345 -18.309 1.00 0.00 C ATOM 891 C PHE A 57 7.564 5.546 -17.206 1.00 0.00 C ATOM 892 O PHE A 57 8.733 5.732 -16.930 1.00 0.00 O ATOM 893 CB PHE A 57 6.939 5.560 -19.621 1.00 0.00 C ATOM 894 CG PHE A 57 5.806 5.980 -20.525 1.00 0.00 C ATOM 895 CD1 PHE A 57 4.505 6.090 -20.016 1.00 0.00 C ATOM 896 CD2 PHE A 57 6.056 6.258 -21.874 1.00 0.00 C ATOM 897 CE1 PHE A 57 3.456 6.477 -20.858 1.00 0.00 C ATOM 898 CE2 PHE A 57 5.006 6.645 -22.715 1.00 0.00 C ATOM 899 CZ PHE A 57 3.706 6.756 -22.207 1.00 0.00 C ATOM 0 H PHE A 57 8.568 7.614 -18.549 1.00 0.00 H new ATOM 0 HA PHE A 57 5.827 6.512 -18.039 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.895 5.739 -20.113 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.879 4.490 -19.420 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.312 5.876 -18.975 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.059 6.174 -22.266 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.453 6.560 -20.467 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.199 6.858 -23.756 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.896 7.057 -22.856 1.00 0.00 H new ATOM 909 N SER A 58 6.853 4.651 -16.581 1.00 0.00 N ATOM 910 CA SER A 58 7.464 3.827 -15.501 1.00 0.00 C ATOM 911 C SER A 58 7.229 2.351 -15.821 1.00 0.00 C ATOM 912 O SER A 58 6.110 1.878 -15.816 1.00 0.00 O ATOM 913 CB SER A 58 6.814 4.172 -14.161 1.00 0.00 C ATOM 914 OG SER A 58 7.216 5.478 -13.768 1.00 0.00 O ATOM 0 H SER A 58 5.871 4.453 -16.772 1.00 0.00 H new ATOM 0 HA SER A 58 8.533 4.029 -15.438 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.728 4.123 -14.247 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.107 3.445 -13.403 1.00 0.00 H new ATOM 0 HG SER A 58 7.139 5.565 -12.795 1.00 0.00 H new ATOM 920 N TYR A 59 8.269 1.621 -16.113 1.00 0.00 N ATOM 921 CA TYR A 59 8.087 0.181 -16.446 1.00 0.00 C ATOM 922 C TYR A 59 8.237 -0.680 -15.191 1.00 0.00 C ATOM 923 O TYR A 59 8.895 -0.313 -14.238 1.00 0.00 O ATOM 924 CB TYR A 59 9.128 -0.243 -17.485 1.00 0.00 C ATOM 925 CG TYR A 59 9.313 0.862 -18.498 1.00 0.00 C ATOM 926 CD1 TYR A 59 8.196 1.518 -19.029 1.00 0.00 C ATOM 927 CD2 TYR A 59 10.600 1.228 -18.907 1.00 0.00 C ATOM 928 CE1 TYR A 59 8.367 2.540 -19.970 1.00 0.00 C ATOM 929 CE2 TYR A 59 10.771 2.250 -19.848 1.00 0.00 C ATOM 930 CZ TYR A 59 9.655 2.906 -20.381 1.00 0.00 C ATOM 931 OH TYR A 59 9.823 3.914 -21.308 1.00 0.00 O ATOM 0 H TYR A 59 9.232 1.957 -16.136 1.00 0.00 H new ATOM 0 HA TYR A 59 7.086 0.040 -16.852 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.076 -0.463 -16.995 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.807 -1.157 -17.984 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.203 1.236 -18.713 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.461 0.722 -18.497 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.505 3.047 -20.379 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.765 2.533 -20.163 1.00 0.00 H new ATOM 0 HH TYR A 59 10.779 4.043 -21.482 1.00 0.00 H new ATOM 941 N ASN A 60 7.624 -1.829 -15.201 1.00 0.00 N ATOM 942 CA ASN A 60 7.702 -2.754 -14.037 1.00 0.00 C ATOM 943 C ASN A 60 7.833 -4.174 -14.579 1.00 0.00 C ATOM 944 O ASN A 60 6.867 -4.783 -14.982 1.00 0.00 O ATOM 945 CB ASN A 60 6.424 -2.631 -13.208 1.00 0.00 C ATOM 946 CG ASN A 60 6.685 -1.737 -11.994 1.00 0.00 C ATOM 947 OD1 ASN A 60 7.762 -1.756 -11.432 1.00 0.00 O ATOM 948 ND2 ASN A 60 5.739 -0.947 -11.565 1.00 0.00 N ATOM 0 H ASN A 60 7.062 -2.172 -15.980 1.00 0.00 H new ATOM 0 HA ASN A 60 8.556 -2.510 -13.405 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.623 -2.211 -13.816 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.093 -3.617 -12.882 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.904 -0.345 -10.758 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.835 -0.931 -12.037 1.00 0.00 H new ATOM 955 N ILE A 61 9.024 -4.694 -14.625 1.00 0.00 N ATOM 956 CA ILE A 61 9.208 -6.062 -15.179 1.00 0.00 C ATOM 957 C ILE A 61 9.069 -7.113 -14.083 1.00 0.00 C ATOM 958 O ILE A 61 9.819 -7.144 -13.128 1.00 0.00 O ATOM 959 CB ILE A 61 10.593 -6.177 -15.808 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.818 -5.005 -16.766 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.683 -7.494 -16.579 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.299 -4.928 -17.140 1.00 0.00 C ATOM 0 H ILE A 61 9.876 -4.234 -14.304 1.00 0.00 H new ATOM 0 HA ILE A 61 8.439 -6.234 -15.932 1.00 0.00 H new ATOM 0 HB ILE A 61 11.355 -6.155 -15.029 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.212 -5.133 -17.663 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.501 -4.073 -16.298 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.670 -7.584 -17.032 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.520 -8.327 -15.896 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.923 -7.511 -17.360 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.459 -4.093 -17.822 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.895 -4.780 -16.239 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.600 -5.856 -17.625 1.00 0.00 H new ATOM 974 N HIS A 62 8.114 -7.983 -14.232 1.00 0.00 N ATOM 975 CA HIS A 62 7.905 -9.057 -13.229 1.00 0.00 C ATOM 976 C HIS A 62 8.319 -10.384 -13.834 1.00 0.00 C ATOM 977 O HIS A 62 8.420 -10.520 -15.038 1.00 0.00 O ATOM 978 CB HIS A 62 6.421 -9.168 -12.904 1.00 0.00 C ATOM 979 CG HIS A 62 5.918 -7.876 -12.330 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.403 -7.778 -11.048 1.00 0.00 N ATOM 981 CD2 HIS A 62 5.834 -6.619 -12.868 1.00 0.00 C ATOM 982 CE1 HIS A 62 5.033 -6.498 -10.858 1.00 0.00 C ATOM 983 NE2 HIS A 62 5.275 -5.748 -11.938 1.00 0.00 N ATOM 0 H HIS A 62 7.462 -7.995 -15.016 1.00 0.00 H new ATOM 0 HA HIS A 62 8.486 -8.824 -12.336 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.861 -9.416 -13.806 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.256 -9.978 -12.194 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.319 -8.537 -10.372 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.153 -6.346 -13.863 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.594 -6.123 -9.945 1.00 0.00 H new ATOM 991 N TYR A 63 8.503 -11.387 -13.031 1.00 0.00 N ATOM 992 CA TYR A 63 8.839 -12.698 -13.621 1.00 0.00 C ATOM 993 C TYR A 63 8.075 -13.801 -12.893 1.00 0.00 C ATOM 994 O TYR A 63 8.395 -14.192 -11.785 1.00 0.00 O ATOM 995 CB TYR A 63 10.352 -12.954 -13.610 1.00 0.00 C ATOM 996 CG TYR A 63 10.870 -13.139 -12.205 1.00 0.00 C ATOM 997 CD1 TYR A 63 11.154 -12.024 -11.411 1.00 0.00 C ATOM 998 CD2 TYR A 63 11.097 -14.428 -11.710 1.00 0.00 C ATOM 999 CE1 TYR A 63 11.665 -12.198 -10.120 1.00 0.00 C ATOM 1000 CE2 TYR A 63 11.602 -14.603 -10.418 1.00 0.00 C ATOM 1001 CZ TYR A 63 11.889 -13.488 -9.624 1.00 0.00 C ATOM 1002 OH TYR A 63 12.398 -13.660 -8.355 1.00 0.00 O ATOM 0 H TYR A 63 8.437 -11.356 -12.014 1.00 0.00 H new ATOM 0 HA TYR A 63 8.534 -12.696 -14.667 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.576 -13.841 -14.202 1.00 0.00 H new ATOM 0 HB3 TYR A 63 10.867 -12.117 -14.082 1.00 0.00 H new ATOM 0 HD1 TYR A 63 10.979 -11.029 -11.794 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.882 -15.288 -12.326 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.887 -11.337 -9.506 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.770 -15.598 -10.034 1.00 0.00 H new ATOM 0 HH TYR A 63 12.491 -14.617 -8.167 1.00 0.00 H new ATOM 1012 N TRP A 64 7.047 -14.284 -13.535 1.00 0.00 N ATOM 1013 CA TRP A 64 6.196 -15.357 -12.955 1.00 0.00 C ATOM 1014 C TRP A 64 6.899 -16.697 -13.128 1.00 0.00 C ATOM 1015 O TRP A 64 7.370 -17.030 -14.196 1.00 0.00 O ATOM 1016 CB TRP A 64 4.867 -15.361 -13.709 1.00 0.00 C ATOM 1017 CG TRP A 64 3.793 -16.000 -12.893 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.394 -15.613 -11.656 1.00 0.00 C ATOM 1019 CD2 TRP A 64 2.954 -17.122 -13.259 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.365 -16.442 -11.249 1.00 0.00 N ATOM 1021 CE2 TRP A 64 2.057 -17.385 -12.204 1.00 0.00 C ATOM 1022 CE3 TRP A 64 2.892 -17.930 -14.400 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 1.123 -18.415 -12.278 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 1.955 -18.969 -14.484 1.00 0.00 C ATOM 1025 CH2 TRP A 64 1.070 -19.209 -13.424 1.00 0.00 C ATOM 0 H TRP A 64 6.756 -13.970 -14.461 1.00 0.00 H new ATOM 0 HA TRP A 64 6.021 -15.186 -11.893 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.582 -14.338 -13.956 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.981 -15.897 -14.651 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.810 -14.796 -11.085 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.891 -16.364 -10.349 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.571 -17.752 -15.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.446 -18.597 -11.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.915 -19.587 -15.369 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.347 -20.008 -13.494 1.00 0.00 H new ATOM 1036 N LEU A 65 6.998 -17.454 -12.077 1.00 0.00 N ATOM 1037 CA LEU A 65 7.702 -18.761 -12.170 1.00 0.00 C ATOM 1038 C LEU A 65 6.776 -19.905 -11.753 1.00 0.00 C ATOM 1039 O LEU A 65 7.022 -20.565 -10.767 1.00 0.00 O ATOM 1040 CB LEU A 65 8.912 -18.745 -11.222 1.00 0.00 C ATOM 1041 CG LEU A 65 10.133 -18.020 -11.829 1.00 0.00 C ATOM 1042 CD1 LEU A 65 11.188 -19.055 -12.220 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.764 -17.195 -13.070 1.00 0.00 C ATOM 0 H LEU A 65 6.623 -17.226 -11.156 1.00 0.00 H new ATOM 0 HA LEU A 65 8.018 -18.914 -13.202 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.631 -18.257 -10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.189 -19.770 -10.975 1.00 0.00 H new ATOM 0 HG LEU A 65 10.517 -17.334 -11.074 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.053 -18.549 -12.649 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.496 -19.613 -11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.769 -19.743 -12.954 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.656 -16.705 -13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.349 -17.853 -13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.025 -16.441 -12.799 1.00 0.00 H new ATOM 1055 N GLY A 66 5.732 -20.161 -12.499 1.00 0.00 N ATOM 1056 CA GLY A 66 4.817 -21.291 -12.142 1.00 0.00 C ATOM 1057 C GLY A 66 5.665 -22.550 -11.936 1.00 0.00 C ATOM 1058 O GLY A 66 5.928 -23.288 -12.870 1.00 0.00 O ATOM 0 H GLY A 66 5.473 -19.640 -13.337 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.260 -21.056 -11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.085 -21.452 -12.934 1.00 0.00 H new ATOM 1062 N LYS A 67 6.112 -22.760 -10.716 1.00 0.00 N ATOM 1063 CA LYS A 67 6.991 -23.915 -10.364 1.00 0.00 C ATOM 1064 C LYS A 67 6.586 -25.188 -11.088 1.00 0.00 C ATOM 1065 O LYS A 67 5.757 -25.952 -10.635 1.00 0.00 O ATOM 1066 CB LYS A 67 6.932 -24.154 -8.855 1.00 0.00 C ATOM 1067 CG LYS A 67 8.172 -24.934 -8.411 1.00 0.00 C ATOM 1068 CD LYS A 67 9.345 -23.968 -8.233 1.00 0.00 C ATOM 1069 CE LYS A 67 10.285 -24.078 -9.436 1.00 0.00 C ATOM 1070 NZ LYS A 67 11.632 -24.520 -8.977 1.00 0.00 N ATOM 0 H LYS A 67 5.892 -22.153 -9.926 1.00 0.00 H new ATOM 0 HA LYS A 67 8.005 -23.665 -10.676 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.881 -23.202 -8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.030 -24.709 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.971 -25.455 -7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.422 -25.694 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.977 -22.946 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.884 -24.199 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.885 -24.788 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.359 -23.115 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.270 -24.595 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.014 -23.827 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.554 -25.448 -8.513 1.00 0.00 H new ATOM 1084 N ASN A 68 7.201 -25.424 -12.202 1.00 0.00 N ATOM 1085 CA ASN A 68 6.912 -26.653 -12.982 1.00 0.00 C ATOM 1086 C ASN A 68 8.052 -26.894 -13.967 1.00 0.00 C ATOM 1087 O ASN A 68 8.543 -27.996 -14.111 1.00 0.00 O ATOM 1088 CB ASN A 68 5.608 -26.465 -13.733 1.00 0.00 C ATOM 1089 CG ASN A 68 4.479 -27.182 -12.989 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.827 -26.554 -12.048 1.00 0.00 O flip ATOM 1091 ND2 ASN A 68 4.186 -28.328 -13.268 1.00 0.00 N flip ATOM 0 H ASN A 68 7.903 -24.810 -12.614 1.00 0.00 H new ATOM 0 HA ASN A 68 6.823 -27.512 -12.317 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.380 -25.403 -13.825 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.699 -26.860 -14.745 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.694 -28.820 -14.003 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.432 -28.798 -12.767 1.00 0.00 H new ATOM 1098 N SER A 69 8.483 -25.864 -14.645 1.00 0.00 N ATOM 1099 CA SER A 69 9.597 -26.028 -15.618 1.00 0.00 C ATOM 1100 C SER A 69 10.858 -26.469 -14.870 1.00 0.00 C ATOM 1101 O SER A 69 10.788 -27.162 -13.875 1.00 0.00 O ATOM 1102 CB SER A 69 9.858 -24.697 -16.324 1.00 0.00 C ATOM 1103 OG SER A 69 10.331 -23.749 -15.376 1.00 0.00 O ATOM 0 H SER A 69 8.111 -24.918 -14.566 1.00 0.00 H new ATOM 0 HA SER A 69 9.330 -26.782 -16.359 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.592 -24.831 -17.119 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.943 -24.335 -16.793 1.00 0.00 H new ATOM 0 HG SER A 69 9.701 -23.000 -15.320 1.00 0.00 H new ATOM 1109 N SER A 70 12.010 -26.073 -15.339 1.00 0.00 N ATOM 1110 CA SER A 70 13.268 -26.471 -14.649 1.00 0.00 C ATOM 1111 C SER A 70 14.042 -25.219 -14.235 1.00 0.00 C ATOM 1112 O SER A 70 13.731 -24.117 -14.646 1.00 0.00 O ATOM 1113 CB SER A 70 14.126 -27.310 -15.598 1.00 0.00 C ATOM 1114 OG SER A 70 14.010 -26.792 -16.917 1.00 0.00 O ATOM 0 H SER A 70 12.133 -25.492 -16.168 1.00 0.00 H new ATOM 0 HA SER A 70 13.026 -27.057 -13.763 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.168 -27.291 -15.278 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.804 -28.351 -15.574 1.00 0.00 H new ATOM 0 HG SER A 70 14.779 -27.081 -17.451 1.00 0.00 H new ATOM 1120 N GLN A 71 15.050 -25.377 -13.421 1.00 0.00 N ATOM 1121 CA GLN A 71 15.844 -24.195 -12.981 1.00 0.00 C ATOM 1122 C GLN A 71 16.216 -23.352 -14.201 1.00 0.00 C ATOM 1123 O GLN A 71 16.378 -22.151 -14.112 1.00 0.00 O ATOM 1124 CB GLN A 71 17.118 -24.669 -12.280 1.00 0.00 C ATOM 1125 CG GLN A 71 17.419 -23.754 -11.091 1.00 0.00 C ATOM 1126 CD GLN A 71 18.650 -24.273 -10.345 1.00 0.00 C ATOM 1127 OE1 GLN A 71 18.541 -25.136 -9.497 1.00 0.00 O ATOM 1128 NE2 GLN A 71 19.825 -23.779 -10.626 1.00 0.00 N ATOM 0 H GLN A 71 15.358 -26.273 -13.042 1.00 0.00 H new ATOM 0 HA GLN A 71 15.252 -23.595 -12.290 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.997 -25.697 -11.939 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.954 -24.661 -12.979 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.594 -22.735 -11.438 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.561 -23.719 -10.419 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.917 -23.054 -11.338 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.652 -24.118 -10.134 1.00 0.00 H new ATOM 1137 N ASP A 72 16.353 -23.970 -15.342 1.00 0.00 N ATOM 1138 CA ASP A 72 16.716 -23.201 -16.565 1.00 0.00 C ATOM 1139 C ASP A 72 15.553 -22.292 -16.958 1.00 0.00 C ATOM 1140 O ASP A 72 15.743 -21.136 -17.273 1.00 0.00 O ATOM 1141 CB ASP A 72 17.025 -24.164 -17.713 1.00 0.00 C ATOM 1142 CG ASP A 72 16.034 -25.330 -17.688 1.00 0.00 C ATOM 1143 OD1 ASP A 72 16.327 -26.317 -17.034 1.00 0.00 O ATOM 1144 OD2 ASP A 72 14.999 -25.213 -18.323 1.00 0.00 O ATOM 0 H ASP A 72 16.229 -24.973 -15.480 1.00 0.00 H new ATOM 0 HA ASP A 72 17.599 -22.596 -16.360 1.00 0.00 H new ATOM 0 HB2 ASP A 72 16.962 -23.640 -18.667 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.045 -24.538 -17.622 1.00 0.00 H new ATOM 1149 N GLU A 73 14.349 -22.795 -16.935 1.00 0.00 N ATOM 1150 CA GLU A 73 13.194 -21.932 -17.299 1.00 0.00 C ATOM 1151 C GLU A 73 13.194 -20.719 -16.376 1.00 0.00 C ATOM 1152 O GLU A 73 12.891 -19.616 -16.783 1.00 0.00 O ATOM 1153 CB GLU A 73 11.887 -22.713 -17.144 1.00 0.00 C ATOM 1154 CG GLU A 73 11.218 -22.856 -18.515 1.00 0.00 C ATOM 1155 CD GLU A 73 12.251 -23.321 -19.542 1.00 0.00 C ATOM 1156 OE1 GLU A 73 13.228 -23.928 -19.137 1.00 0.00 O ATOM 1157 OE2 GLU A 73 12.047 -23.063 -20.718 1.00 0.00 O ATOM 0 H GLU A 73 14.118 -23.756 -16.683 1.00 0.00 H new ATOM 0 HA GLU A 73 13.278 -21.610 -18.337 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.086 -23.697 -16.719 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.221 -22.196 -16.453 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.398 -23.572 -18.458 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.788 -21.903 -18.822 1.00 0.00 H new ATOM 1164 N GLN A 74 13.559 -20.908 -15.137 1.00 0.00 N ATOM 1165 CA GLN A 74 13.609 -19.753 -14.203 1.00 0.00 C ATOM 1166 C GLN A 74 14.679 -18.789 -14.712 1.00 0.00 C ATOM 1167 O GLN A 74 14.546 -17.585 -14.614 1.00 0.00 O ATOM 1168 CB GLN A 74 13.962 -20.242 -12.793 1.00 0.00 C ATOM 1169 CG GLN A 74 14.507 -19.081 -11.955 1.00 0.00 C ATOM 1170 CD GLN A 74 14.644 -19.524 -10.497 1.00 0.00 C ATOM 1171 OE1 GLN A 74 13.687 -20.219 -9.945 1.00 0.00 O flip ATOM 1172 NE2 GLN A 74 15.632 -19.235 -9.852 1.00 0.00 N flip ATOM 0 H GLN A 74 13.823 -21.808 -14.735 1.00 0.00 H new ATOM 0 HA GLN A 74 12.642 -19.252 -14.157 1.00 0.00 H new ATOM 0 HB2 GLN A 74 13.078 -20.663 -12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.704 -21.039 -12.851 1.00 0.00 H new ATOM 0 HG2 GLN A 74 15.475 -18.762 -12.342 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.838 -18.223 -12.024 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.381 -18.692 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.713 -19.535 -8.881 1.00 0.00 H new ATOM 1181 N GLY A 75 15.735 -19.314 -15.275 1.00 0.00 N ATOM 1182 CA GLY A 75 16.807 -18.433 -15.811 1.00 0.00 C ATOM 1183 C GLY A 75 16.375 -17.902 -17.178 1.00 0.00 C ATOM 1184 O GLY A 75 16.958 -16.979 -17.710 1.00 0.00 O ATOM 0 H GLY A 75 15.899 -20.315 -15.386 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.992 -17.605 -15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.741 -18.988 -15.900 1.00 0.00 H new ATOM 1188 N ALA A 76 15.351 -18.479 -17.751 1.00 0.00 N ATOM 1189 CA ALA A 76 14.876 -18.007 -19.081 1.00 0.00 C ATOM 1190 C ALA A 76 14.012 -16.759 -18.894 1.00 0.00 C ATOM 1191 O ALA A 76 14.256 -15.728 -19.488 1.00 0.00 O ATOM 1192 CB ALA A 76 14.049 -19.107 -19.749 1.00 0.00 C ATOM 0 H ALA A 76 14.824 -19.257 -17.354 1.00 0.00 H new ATOM 0 HA ALA A 76 15.732 -17.767 -19.711 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.702 -18.761 -20.722 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.665 -19.997 -19.879 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.190 -19.348 -19.122 1.00 0.00 H new ATOM 1198 N ALA A 77 13.005 -16.841 -18.067 1.00 0.00 N ATOM 1199 CA ALA A 77 12.133 -15.654 -17.837 1.00 0.00 C ATOM 1200 C ALA A 77 12.872 -14.653 -16.949 1.00 0.00 C ATOM 1201 O ALA A 77 12.806 -13.458 -17.153 1.00 0.00 O ATOM 1202 CB ALA A 77 10.841 -16.090 -17.142 1.00 0.00 C ATOM 0 H ALA A 77 12.749 -17.677 -17.542 1.00 0.00 H new ATOM 0 HA ALA A 77 11.890 -15.191 -18.793 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.206 -15.220 -16.975 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.315 -16.809 -17.770 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.081 -16.553 -16.185 1.00 0.00 H new ATOM 1208 N ALA A 78 13.581 -15.136 -15.965 1.00 0.00 N ATOM 1209 CA ALA A 78 14.330 -14.217 -15.064 1.00 0.00 C ATOM 1210 C ALA A 78 15.389 -13.468 -15.873 1.00 0.00 C ATOM 1211 O ALA A 78 15.501 -12.261 -15.801 1.00 0.00 O ATOM 1212 CB ALA A 78 15.011 -15.028 -13.960 1.00 0.00 C ATOM 0 H ALA A 78 13.673 -16.128 -15.747 1.00 0.00 H new ATOM 0 HA ALA A 78 13.640 -13.502 -14.615 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.559 -14.356 -13.300 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.257 -15.565 -13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.703 -15.742 -14.407 1.00 0.00 H new ATOM 1218 N ILE A 79 16.168 -14.175 -16.647 1.00 0.00 N ATOM 1219 CA ILE A 79 17.215 -13.498 -17.459 1.00 0.00 C ATOM 1220 C ILE A 79 16.550 -12.564 -18.468 1.00 0.00 C ATOM 1221 O ILE A 79 16.972 -11.441 -18.657 1.00 0.00 O ATOM 1222 CB ILE A 79 18.044 -14.540 -18.209 1.00 0.00 C ATOM 1223 CG1 ILE A 79 18.889 -15.336 -17.212 1.00 0.00 C ATOM 1224 CG2 ILE A 79 18.963 -13.828 -19.202 1.00 0.00 C ATOM 1225 CD1 ILE A 79 19.650 -16.438 -17.953 1.00 0.00 C ATOM 0 H ILE A 79 16.124 -15.189 -16.751 1.00 0.00 H new ATOM 0 HA ILE A 79 17.866 -12.925 -16.798 1.00 0.00 H new ATOM 0 HB ILE A 79 17.381 -15.221 -18.744 1.00 0.00 H new ATOM 0 HG12 ILE A 79 19.590 -14.674 -16.703 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.250 -15.773 -16.445 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.558 -14.566 -19.741 1.00 0.00 H new ATOM 0 HG22 ILE A 79 18.362 -13.259 -19.911 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.626 -13.151 -18.663 1.00 0.00 H new ATOM 0 HD11 ILE A 79 20.252 -17.005 -17.243 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.940 -17.106 -18.441 1.00 0.00 H new ATOM 0 HD13 ILE A 79 20.301 -15.989 -18.703 1.00 0.00 H new ATOM 1237 N TYR A 80 15.512 -13.015 -19.117 1.00 0.00 N ATOM 1238 CA TYR A 80 14.825 -12.143 -20.108 1.00 0.00 C ATOM 1239 C TYR A 80 14.250 -10.925 -19.386 1.00 0.00 C ATOM 1240 O TYR A 80 14.070 -9.872 -19.967 1.00 0.00 O ATOM 1241 CB TYR A 80 13.704 -12.934 -20.785 1.00 0.00 C ATOM 1242 CG TYR A 80 14.289 -13.956 -21.743 1.00 0.00 C ATOM 1243 CD1 TYR A 80 15.674 -14.021 -21.963 1.00 0.00 C ATOM 1244 CD2 TYR A 80 13.436 -14.838 -22.415 1.00 0.00 C ATOM 1245 CE1 TYR A 80 16.197 -14.967 -22.853 1.00 0.00 C ATOM 1246 CE2 TYR A 80 13.961 -15.782 -23.305 1.00 0.00 C ATOM 1247 CZ TYR A 80 15.341 -15.847 -23.524 1.00 0.00 C ATOM 1248 OH TYR A 80 15.858 -16.778 -24.402 1.00 0.00 O ATOM 0 H TYR A 80 15.112 -13.946 -19.004 1.00 0.00 H new ATOM 0 HA TYR A 80 15.532 -11.809 -20.868 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.097 -13.436 -20.032 1.00 0.00 H new ATOM 0 HB3 TYR A 80 13.044 -12.255 -21.325 1.00 0.00 H new ATOM 0 HD1 TYR A 80 16.336 -13.342 -21.446 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.370 -14.790 -22.247 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.263 -15.017 -23.022 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.300 -16.461 -23.823 1.00 0.00 H new ATOM 0 HH TYR A 80 15.128 -17.310 -24.782 1.00 0.00 H new ATOM 1258 N THR A 81 13.976 -11.055 -18.117 1.00 0.00 N ATOM 1259 CA THR A 81 13.430 -9.902 -17.349 1.00 0.00 C ATOM 1260 C THR A 81 14.584 -8.961 -16.995 1.00 0.00 C ATOM 1261 O THR A 81 14.394 -7.785 -16.757 1.00 0.00 O ATOM 1262 CB THR A 81 12.773 -10.414 -16.063 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.528 -11.020 -16.381 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.545 -9.249 -15.098 1.00 0.00 C ATOM 0 H THR A 81 14.107 -11.911 -17.579 1.00 0.00 H new ATOM 0 HA THR A 81 12.687 -9.372 -17.945 1.00 0.00 H new ATOM 0 HB THR A 81 13.426 -11.147 -15.589 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.682 -11.929 -16.714 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.078 -9.619 -14.185 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.501 -8.786 -14.854 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.893 -8.511 -15.566 1.00 0.00 H new ATOM 1272 N THR A 82 15.779 -9.481 -16.962 1.00 0.00 N ATOM 1273 CA THR A 82 16.961 -8.637 -16.627 1.00 0.00 C ATOM 1274 C THR A 82 17.520 -8.013 -17.911 1.00 0.00 C ATOM 1275 O THR A 82 18.208 -7.012 -17.876 1.00 0.00 O ATOM 1276 CB THR A 82 18.029 -9.517 -15.964 1.00 0.00 C ATOM 1277 OG1 THR A 82 17.687 -9.723 -14.601 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.399 -8.839 -16.047 1.00 0.00 C ATOM 0 H THR A 82 15.989 -10.460 -17.154 1.00 0.00 H new ATOM 0 HA THR A 82 16.670 -7.841 -15.942 1.00 0.00 H new ATOM 0 HB THR A 82 18.075 -10.474 -16.484 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.366 -10.286 -14.175 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.148 -9.473 -15.573 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.665 -8.683 -17.092 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.361 -7.878 -15.535 1.00 0.00 H new ATOM 1286 N GLN A 83 17.233 -8.598 -19.041 1.00 0.00 N ATOM 1287 CA GLN A 83 17.750 -8.039 -20.321 1.00 0.00 C ATOM 1288 C GLN A 83 16.831 -6.913 -20.794 1.00 0.00 C ATOM 1289 O GLN A 83 17.278 -5.913 -21.320 1.00 0.00 O ATOM 1290 CB GLN A 83 17.792 -9.142 -21.380 1.00 0.00 C ATOM 1291 CG GLN A 83 18.780 -10.227 -20.948 1.00 0.00 C ATOM 1292 CD GLN A 83 19.595 -10.689 -22.157 1.00 0.00 C ATOM 1293 OE1 GLN A 83 19.044 -10.982 -23.200 1.00 0.00 O ATOM 1294 NE2 GLN A 83 20.894 -10.768 -22.061 1.00 0.00 N ATOM 0 H GLN A 83 16.663 -9.439 -19.133 1.00 0.00 H new ATOM 0 HA GLN A 83 18.755 -7.646 -20.166 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.799 -9.571 -21.513 1.00 0.00 H new ATOM 0 HB3 GLN A 83 18.090 -8.726 -22.342 1.00 0.00 H new ATOM 0 HG2 GLN A 83 19.444 -9.841 -20.175 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.243 -11.071 -20.515 1.00 0.00 H new ATOM 0 HE21 GLN A 83 21.357 -10.522 -21.186 1.00 0.00 H new ATOM 0 HE22 GLN A 83 21.447 -11.076 -22.861 1.00 0.00 H new ATOM 1303 N MET A 84 15.548 -7.066 -20.610 1.00 0.00 N ATOM 1304 CA MET A 84 14.603 -6.001 -21.049 1.00 0.00 C ATOM 1305 C MET A 84 14.662 -4.833 -20.062 1.00 0.00 C ATOM 1306 O MET A 84 14.432 -3.695 -20.417 1.00 0.00 O ATOM 1307 CB MET A 84 13.181 -6.567 -21.092 1.00 0.00 C ATOM 1308 CG MET A 84 12.658 -6.755 -19.667 1.00 0.00 C ATOM 1309 SD MET A 84 11.405 -8.060 -19.649 1.00 0.00 S ATOM 1310 CE MET A 84 10.550 -7.575 -21.168 1.00 0.00 C ATOM 0 H MET A 84 15.114 -7.881 -20.176 1.00 0.00 H new ATOM 0 HA MET A 84 14.882 -5.651 -22.043 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.527 -5.892 -21.644 1.00 0.00 H new ATOM 0 HB3 MET A 84 13.174 -7.520 -21.621 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.479 -7.016 -18.999 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.231 -5.822 -19.299 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.615 -8.129 -21.252 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.337 -6.506 -21.140 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.182 -7.797 -22.028 1.00 0.00 H new ATOM 1320 N ASP A 85 14.967 -5.106 -18.822 1.00 0.00 N ATOM 1321 CA ASP A 85 15.036 -4.010 -17.814 1.00 0.00 C ATOM 1322 C ASP A 85 16.122 -3.009 -18.214 1.00 0.00 C ATOM 1323 O ASP A 85 15.857 -1.841 -18.417 1.00 0.00 O ATOM 1324 CB ASP A 85 15.367 -4.600 -16.441 1.00 0.00 C ATOM 1325 CG ASP A 85 15.328 -3.492 -15.388 1.00 0.00 C ATOM 1326 OD1 ASP A 85 15.135 -2.348 -15.768 1.00 0.00 O ATOM 1327 OD2 ASP A 85 15.494 -3.803 -14.221 1.00 0.00 O ATOM 0 H ASP A 85 15.171 -6.039 -18.464 1.00 0.00 H new ATOM 0 HA ASP A 85 14.074 -3.500 -17.770 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.652 -5.383 -16.188 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.353 -5.063 -16.461 1.00 0.00 H new ATOM 1332 N GLU A 86 17.344 -3.453 -18.326 1.00 0.00 N ATOM 1333 CA GLU A 86 18.442 -2.522 -18.710 1.00 0.00 C ATOM 1334 C GLU A 86 18.186 -1.985 -20.121 1.00 0.00 C ATOM 1335 O GLU A 86 18.508 -0.857 -20.434 1.00 0.00 O ATOM 1336 CB GLU A 86 19.778 -3.267 -18.682 1.00 0.00 C ATOM 1337 CG GLU A 86 19.838 -4.255 -19.849 1.00 0.00 C ATOM 1338 CD GLU A 86 21.176 -4.995 -19.823 1.00 0.00 C ATOM 1339 OE1 GLU A 86 21.327 -5.875 -18.992 1.00 0.00 O ATOM 1340 OE2 GLU A 86 22.026 -4.669 -20.634 1.00 0.00 O ATOM 0 H GLU A 86 17.629 -4.420 -18.168 1.00 0.00 H new ATOM 0 HA GLU A 86 18.476 -1.691 -18.005 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.603 -2.558 -18.750 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.890 -3.798 -17.737 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.015 -4.967 -19.779 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.722 -3.725 -20.794 1.00 0.00 H new ATOM 1347 N TYR A 87 17.608 -2.785 -20.975 1.00 0.00 N ATOM 1348 CA TYR A 87 17.332 -2.321 -22.365 1.00 0.00 C ATOM 1349 C TYR A 87 16.224 -1.264 -22.343 1.00 0.00 C ATOM 1350 O TYR A 87 16.026 -0.539 -23.299 1.00 0.00 O ATOM 1351 CB TYR A 87 16.884 -3.507 -23.220 1.00 0.00 C ATOM 1352 CG TYR A 87 18.023 -3.950 -24.107 1.00 0.00 C ATOM 1353 CD1 TYR A 87 18.686 -3.018 -24.914 1.00 0.00 C ATOM 1354 CD2 TYR A 87 18.415 -5.295 -24.123 1.00 0.00 C ATOM 1355 CE1 TYR A 87 19.742 -3.429 -25.735 1.00 0.00 C ATOM 1356 CE2 TYR A 87 19.470 -5.706 -24.945 1.00 0.00 C ATOM 1357 CZ TYR A 87 20.134 -4.774 -25.752 1.00 0.00 C ATOM 1358 OH TYR A 87 21.174 -5.179 -26.562 1.00 0.00 O ATOM 0 H TYR A 87 17.315 -3.740 -20.770 1.00 0.00 H new ATOM 0 HA TYR A 87 18.239 -1.888 -22.788 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.566 -4.330 -22.580 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.024 -3.226 -23.828 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.382 -1.982 -24.903 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.903 -6.014 -23.501 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.255 -2.709 -26.356 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.772 -6.743 -24.957 1.00 0.00 H new ATOM 0 HH TYR A 87 21.318 -6.142 -26.453 1.00 0.00 H new ATOM 1368 N LEU A 88 15.498 -1.171 -21.263 1.00 0.00 N ATOM 1369 CA LEU A 88 14.403 -0.164 -21.185 1.00 0.00 C ATOM 1370 C LEU A 88 14.925 1.115 -20.526 1.00 0.00 C ATOM 1371 O LEU A 88 14.169 1.903 -19.994 1.00 0.00 O ATOM 1372 CB LEU A 88 13.248 -0.731 -20.356 1.00 0.00 C ATOM 1373 CG LEU A 88 12.511 -1.796 -21.169 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.575 -2.583 -20.249 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.695 -1.120 -22.272 1.00 0.00 C ATOM 0 H LEU A 88 15.616 -1.749 -20.431 1.00 0.00 H new ATOM 0 HA LEU A 88 14.051 0.066 -22.191 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.629 -1.163 -19.431 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.561 0.068 -20.076 1.00 0.00 H new ATOM 0 HG LEU A 88 13.234 -2.477 -21.618 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.049 -3.342 -20.828 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.157 -3.064 -19.463 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.851 -1.904 -19.799 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.169 -1.878 -22.852 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.971 -0.439 -21.824 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.362 -0.560 -22.927 1.00 0.00 H new ATOM 1387 N GLY A 89 16.212 1.330 -20.560 1.00 0.00 N ATOM 1388 CA GLY A 89 16.778 2.561 -19.938 1.00 0.00 C ATOM 1389 C GLY A 89 17.037 2.318 -18.449 1.00 0.00 C ATOM 1390 O GLY A 89 17.492 3.192 -17.739 1.00 0.00 O ATOM 0 H GLY A 89 16.895 0.707 -20.991 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.706 2.838 -20.437 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.087 3.394 -20.065 1.00 0.00 H new ATOM 1394 N SER A 90 16.754 1.137 -17.971 1.00 0.00 N ATOM 1395 CA SER A 90 16.988 0.843 -16.528 1.00 0.00 C ATOM 1396 C SER A 90 15.892 1.501 -15.685 1.00 0.00 C ATOM 1397 O SER A 90 15.949 1.507 -14.472 1.00 0.00 O ATOM 1398 CB SER A 90 18.351 1.396 -16.110 1.00 0.00 C ATOM 1399 OG SER A 90 18.182 2.695 -15.557 1.00 0.00 O ATOM 0 H SER A 90 16.372 0.364 -18.516 1.00 0.00 H new ATOM 0 HA SER A 90 16.968 -0.235 -16.371 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.816 0.735 -15.379 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.018 1.439 -16.971 1.00 0.00 H new ATOM 0 HG SER A 90 17.916 3.319 -16.264 1.00 0.00 H new ATOM 1405 N VAL A 91 14.892 2.051 -16.317 1.00 0.00 N ATOM 1406 CA VAL A 91 13.794 2.704 -15.549 1.00 0.00 C ATOM 1407 C VAL A 91 12.789 1.642 -15.103 1.00 0.00 C ATOM 1408 O VAL A 91 12.012 1.849 -14.191 1.00 0.00 O ATOM 1409 CB VAL A 91 13.087 3.730 -16.436 1.00 0.00 C ATOM 1410 CG1 VAL A 91 14.016 4.919 -16.684 1.00 0.00 C ATOM 1411 CG2 VAL A 91 12.724 3.082 -17.774 1.00 0.00 C ATOM 0 H VAL A 91 14.787 2.077 -17.331 1.00 0.00 H new ATOM 0 HA VAL A 91 14.210 3.206 -14.676 1.00 0.00 H new ATOM 0 HB VAL A 91 12.180 4.075 -15.939 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.511 5.649 -17.316 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.277 5.382 -15.732 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.923 4.575 -17.181 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.220 3.812 -18.407 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.632 2.737 -18.269 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.061 2.234 -17.600 1.00 0.00 H new ATOM 1421 N ALA A 92 12.797 0.505 -15.740 1.00 0.00 N ATOM 1422 CA ALA A 92 11.843 -0.573 -15.358 1.00 0.00 C ATOM 1423 C ALA A 92 12.208 -1.114 -13.975 1.00 0.00 C ATOM 1424 O ALA A 92 13.281 -0.869 -13.462 1.00 0.00 O ATOM 1425 CB ALA A 92 11.922 -1.707 -16.382 1.00 0.00 C ATOM 0 H ALA A 92 13.425 0.275 -16.511 1.00 0.00 H new ATOM 0 HA ALA A 92 10.831 -0.169 -15.335 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.224 -2.497 -16.104 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.663 -1.325 -17.369 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.935 -2.108 -16.403 1.00 0.00 H new ATOM 1431 N VAL A 93 11.319 -1.850 -13.370 1.00 0.00 N ATOM 1432 CA VAL A 93 11.605 -2.414 -12.022 1.00 0.00 C ATOM 1433 C VAL A 93 11.638 -3.938 -12.114 1.00 0.00 C ATOM 1434 O VAL A 93 11.488 -4.508 -13.174 1.00 0.00 O ATOM 1435 CB VAL A 93 10.496 -1.998 -11.054 1.00 0.00 C ATOM 1436 CG1 VAL A 93 11.003 -2.109 -9.617 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.083 -0.552 -11.340 1.00 0.00 C ATOM 0 H VAL A 93 10.403 -2.086 -13.752 1.00 0.00 H new ATOM 0 HA VAL A 93 12.565 -2.042 -11.665 1.00 0.00 H new ATOM 0 HB VAL A 93 9.636 -2.654 -11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.212 -1.812 -8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.295 -3.139 -9.413 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.865 -1.455 -9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.293 -0.256 -10.650 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.943 0.105 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.719 -0.474 -12.364 1.00 0.00 H new ATOM 1447 N GLN A 94 11.819 -4.606 -11.011 1.00 0.00 N ATOM 1448 CA GLN A 94 11.838 -6.088 -11.046 1.00 0.00 C ATOM 1449 C GLN A 94 10.910 -6.615 -9.953 1.00 0.00 C ATOM 1450 O GLN A 94 10.872 -6.094 -8.856 1.00 0.00 O ATOM 1451 CB GLN A 94 13.262 -6.595 -10.809 1.00 0.00 C ATOM 1452 CG GLN A 94 13.780 -7.277 -12.077 1.00 0.00 C ATOM 1453 CD GLN A 94 14.649 -8.475 -11.694 1.00 0.00 C ATOM 1454 OE1 GLN A 94 14.474 -9.559 -12.216 1.00 0.00 O ATOM 1455 NE2 GLN A 94 15.586 -8.327 -10.798 1.00 0.00 N ATOM 0 H GLN A 94 11.954 -4.189 -10.090 1.00 0.00 H new ATOM 0 HA GLN A 94 11.500 -6.440 -12.020 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.914 -5.765 -10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.275 -7.297 -9.975 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.943 -7.604 -12.694 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.358 -6.570 -12.672 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.733 -7.418 -10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.171 -9.120 -10.536 1.00 0.00 H new ATOM 1464 N HIS A 95 10.145 -7.631 -10.243 1.00 0.00 N ATOM 1465 CA HIS A 95 9.210 -8.164 -9.214 1.00 0.00 C ATOM 1466 C HIS A 95 9.277 -9.694 -9.181 1.00 0.00 C ATOM 1467 O HIS A 95 9.421 -10.346 -10.198 1.00 0.00 O ATOM 1468 CB HIS A 95 7.795 -7.705 -9.558 1.00 0.00 C ATOM 1469 CG HIS A 95 7.846 -6.276 -10.031 1.00 0.00 C ATOM 1470 ND1 HIS A 95 7.967 -5.731 -11.284 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 7.793 -5.197 -9.159 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 7.989 -4.344 -11.198 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 7.883 -4.073 -9.897 1.00 0.00 N flip ATOM 0 H HIS A 95 10.127 -8.112 -11.142 1.00 0.00 H new ATOM 0 HA HIS A 95 9.491 -7.790 -8.230 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.370 -8.343 -10.333 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.149 -7.790 -8.684 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.697 -5.249 -8.085 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.074 -3.638 -12.011 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.871 -3.130 -9.508 1.00 0.00 H new ATOM 1481 N ARG A 96 9.180 -10.266 -8.010 1.00 0.00 N ATOM 1482 CA ARG A 96 9.249 -11.751 -7.882 1.00 0.00 C ATOM 1483 C ARG A 96 7.839 -12.347 -7.890 1.00 0.00 C ATOM 1484 O ARG A 96 7.044 -12.086 -7.010 1.00 0.00 O ATOM 1485 CB ARG A 96 9.933 -12.103 -6.557 1.00 0.00 C ATOM 1486 CG ARG A 96 10.510 -13.517 -6.629 1.00 0.00 C ATOM 1487 CD ARG A 96 9.856 -14.396 -5.561 1.00 0.00 C ATOM 1488 NE ARG A 96 10.912 -14.975 -4.682 1.00 0.00 N ATOM 1489 CZ ARG A 96 10.600 -15.437 -3.502 1.00 0.00 C ATOM 1490 NH1 ARG A 96 9.718 -16.392 -3.387 1.00 0.00 N ATOM 1491 NH2 ARG A 96 11.172 -14.945 -2.438 1.00 0.00 N ATOM 0 H ARG A 96 9.055 -9.764 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 96 9.814 -12.159 -8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.727 -11.387 -6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.217 -12.034 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.337 -13.941 -7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.589 -13.488 -6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.156 -13.807 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.282 -15.194 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 96 11.879 -15.010 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.272 -16.778 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.474 -16.753 -2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.863 -14.200 -2.529 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.929 -15.305 -1.515 1.00 0.00 H new ATOM 1505 N GLU A 97 7.524 -13.157 -8.866 1.00 0.00 N ATOM 1506 CA GLU A 97 6.168 -13.772 -8.902 1.00 0.00 C ATOM 1507 C GLU A 97 6.303 -15.290 -9.057 1.00 0.00 C ATOM 1508 O GLU A 97 7.325 -15.792 -9.482 1.00 0.00 O ATOM 1509 CB GLU A 97 5.364 -13.193 -10.065 1.00 0.00 C ATOM 1510 CG GLU A 97 5.517 -11.671 -10.084 1.00 0.00 C ATOM 1511 CD GLU A 97 4.885 -11.079 -8.822 1.00 0.00 C ATOM 1512 OE1 GLU A 97 4.013 -11.723 -8.262 1.00 0.00 O ATOM 1513 OE2 GLU A 97 5.285 -9.992 -8.438 1.00 0.00 O ATOM 0 H GLU A 97 8.143 -13.417 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 97 5.644 -13.551 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.712 -13.616 -11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.313 -13.462 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.572 -11.401 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.038 -11.258 -10.972 1.00 0.00 H new ATOM 1520 N VAL A 98 5.288 -16.026 -8.691 1.00 0.00 N ATOM 1521 CA VAL A 98 5.362 -17.511 -8.782 1.00 0.00 C ATOM 1522 C VAL A 98 3.945 -18.082 -8.890 1.00 0.00 C ATOM 1523 O VAL A 98 2.981 -17.350 -8.960 1.00 0.00 O ATOM 1524 CB VAL A 98 6.026 -18.034 -7.508 1.00 0.00 C ATOM 1525 CG1 VAL A 98 6.568 -19.440 -7.740 1.00 0.00 C ATOM 1526 CG2 VAL A 98 7.180 -17.109 -7.114 1.00 0.00 C ATOM 0 H VAL A 98 4.407 -15.659 -8.331 1.00 0.00 H new ATOM 0 HA VAL A 98 5.937 -17.811 -9.658 1.00 0.00 H new ATOM 0 HB VAL A 98 5.285 -18.061 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.039 -19.804 -6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.749 -20.105 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.304 -19.418 -8.544 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.652 -17.483 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.914 -17.080 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.797 -16.104 -6.936 1.00 0.00 H new ATOM 1536 N GLN A 99 3.803 -19.383 -8.890 1.00 0.00 N ATOM 1537 CA GLN A 99 2.439 -19.983 -8.985 1.00 0.00 C ATOM 1538 C GLN A 99 1.659 -19.731 -7.695 1.00 0.00 C ATOM 1539 O GLN A 99 0.506 -20.093 -7.569 1.00 0.00 O ATOM 1540 CB GLN A 99 2.553 -21.489 -9.233 1.00 0.00 C ATOM 1541 CG GLN A 99 1.452 -21.933 -10.198 1.00 0.00 C ATOM 1542 CD GLN A 99 0.134 -22.076 -9.435 1.00 0.00 C ATOM 1543 OE1 GLN A 99 -0.045 -23.008 -8.677 1.00 0.00 O ATOM 1544 NE2 GLN A 99 -0.804 -21.185 -9.606 1.00 0.00 N ATOM 0 H GLN A 99 4.570 -20.053 -8.829 1.00 0.00 H new ATOM 0 HA GLN A 99 1.907 -19.518 -9.815 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.532 -21.727 -9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.466 -22.031 -8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.342 -21.205 -11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.721 -22.882 -10.662 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.654 -20.402 -10.242 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.687 -21.271 -9.103 1.00 0.00 H new ATOM 1553 N GLY A 100 2.279 -19.104 -6.747 1.00 0.00 N ATOM 1554 CA GLY A 100 1.594 -18.802 -5.460 1.00 0.00 C ATOM 1555 C GLY A 100 2.107 -17.459 -4.937 1.00 0.00 C ATOM 1556 O GLY A 100 1.938 -17.122 -3.782 1.00 0.00 O ATOM 0 H GLY A 100 3.245 -18.781 -6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.515 -18.764 -5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.790 -19.591 -4.733 1.00 0.00 H new ATOM 1560 N HIS A 101 2.740 -16.694 -5.785 1.00 0.00 N ATOM 1561 CA HIS A 101 3.279 -15.374 -5.355 1.00 0.00 C ATOM 1562 C HIS A 101 2.650 -14.266 -6.207 1.00 0.00 C ATOM 1563 O HIS A 101 2.709 -13.100 -5.870 1.00 0.00 O ATOM 1564 CB HIS A 101 4.798 -15.371 -5.547 1.00 0.00 C ATOM 1565 CG HIS A 101 5.420 -16.391 -4.633 1.00 0.00 C ATOM 1566 ND1 HIS A 101 5.139 -17.715 -4.408 1.00 0.00 N flip ATOM 1567 CD2 HIS A 101 6.485 -16.084 -3.801 1.00 0.00 C flip ATOM 1568 CE1 HIS A 101 6.012 -18.225 -3.452 1.00 0.00 C flip ATOM 1569 NE2 HIS A 101 6.802 -17.200 -3.119 1.00 0.00 N flip ATOM 0 H HIS A 101 2.907 -16.929 -6.763 1.00 0.00 H new ATOM 0 HA HIS A 101 3.041 -15.199 -4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.045 -15.598 -6.584 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.201 -14.381 -5.333 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.972 -15.124 -3.716 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.044 -19.232 -3.063 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.554 -17.257 -2.432 1.00 0.00 H new ATOM 1577 N GLU A 102 2.048 -14.625 -7.309 1.00 0.00 N ATOM 1578 CA GLU A 102 1.414 -13.601 -8.191 1.00 0.00 C ATOM 1579 C GLU A 102 -0.052 -13.406 -7.766 1.00 0.00 C ATOM 1580 O GLU A 102 -0.883 -12.968 -8.533 1.00 0.00 O ATOM 1581 CB GLU A 102 1.508 -14.085 -9.651 1.00 0.00 C ATOM 1582 CG GLU A 102 0.241 -14.852 -10.070 1.00 0.00 C ATOM 1583 CD GLU A 102 -0.118 -15.894 -9.006 1.00 0.00 C ATOM 1584 OE1 GLU A 102 0.716 -16.738 -8.722 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -1.223 -15.829 -8.491 1.00 0.00 O ATOM 0 H GLU A 102 1.967 -15.587 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 102 1.926 -12.643 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.653 -13.230 -10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.380 -14.728 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.587 -14.156 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.404 -15.342 -11.030 1.00 0.00 H new ATOM 1592 N SER A 103 -0.365 -13.761 -6.551 1.00 0.00 N ATOM 1593 CA SER A 103 -1.769 -13.649 -6.046 1.00 0.00 C ATOM 1594 C SER A 103 -2.443 -12.336 -6.488 1.00 0.00 C ATOM 1595 O SER A 103 -2.851 -12.189 -7.623 1.00 0.00 O ATOM 1596 CB SER A 103 -1.756 -13.738 -4.518 1.00 0.00 C ATOM 1597 OG SER A 103 -0.669 -12.975 -4.013 1.00 0.00 O ATOM 0 H SER A 103 0.302 -14.130 -5.873 1.00 0.00 H new ATOM 0 HA SER A 103 -2.349 -14.468 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.697 -13.365 -4.112 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.663 -14.777 -4.203 1.00 0.00 H new ATOM 0 HG SER A 103 -0.659 -13.028 -3.035 1.00 0.00 H new ATOM 1603 N GLU A 104 -2.607 -11.397 -5.588 1.00 0.00 N ATOM 1604 CA GLU A 104 -3.299 -10.122 -5.945 1.00 0.00 C ATOM 1605 C GLU A 104 -2.464 -9.293 -6.922 1.00 0.00 C ATOM 1606 O GLU A 104 -2.998 -8.569 -7.735 1.00 0.00 O ATOM 1607 CB GLU A 104 -3.538 -9.308 -4.672 1.00 0.00 C ATOM 1608 CG GLU A 104 -2.215 -9.129 -3.925 1.00 0.00 C ATOM 1609 CD GLU A 104 -2.392 -9.547 -2.464 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -2.917 -10.625 -2.237 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -2.001 -8.783 -1.598 1.00 0.00 O ATOM 0 H GLU A 104 -2.290 -11.460 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.246 -10.367 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.960 -8.335 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.262 -9.815 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.436 -9.730 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.892 -8.089 -3.980 1.00 0.00 H new ATOM 1618 N THR A 105 -1.167 -9.372 -6.844 1.00 0.00 N ATOM 1619 CA THR A 105 -0.322 -8.562 -7.769 1.00 0.00 C ATOM 1620 C THR A 105 -0.643 -8.915 -9.224 1.00 0.00 C ATOM 1621 O THR A 105 -1.038 -8.070 -10.009 1.00 0.00 O ATOM 1622 CB THR A 105 1.155 -8.849 -7.490 1.00 0.00 C ATOM 1623 OG1 THR A 105 1.309 -9.253 -6.137 1.00 0.00 O ATOM 1624 CG2 THR A 105 1.979 -7.586 -7.745 1.00 0.00 C ATOM 0 H THR A 105 -0.655 -9.958 -6.185 1.00 0.00 H new ATOM 0 HA THR A 105 -0.530 -7.505 -7.606 1.00 0.00 H new ATOM 0 HB THR A 105 1.502 -9.645 -8.149 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.254 -9.439 -5.957 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.031 -7.791 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.860 -7.277 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.634 -6.788 -7.087 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.466 -10.150 -9.600 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.747 -10.542 -11.007 1.00 0.00 C ATOM 1634 C PHE A 106 -2.210 -10.222 -11.316 1.00 0.00 C ATOM 1635 O PHE A 106 -2.519 -9.498 -12.243 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.508 -12.042 -11.167 1.00 0.00 C ATOM 1637 CG PHE A 106 0.270 -12.303 -12.436 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.507 -11.675 -12.630 1.00 0.00 C ATOM 1639 CD2 PHE A 106 -0.228 -13.180 -13.408 1.00 0.00 C ATOM 1640 CE1 PHE A 106 2.245 -11.918 -13.793 1.00 0.00 C ATOM 1641 CE2 PHE A 106 0.514 -13.428 -14.573 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.751 -12.796 -14.765 1.00 0.00 C ATOM 0 H PHE A 106 -0.139 -10.903 -8.995 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.094 -9.998 -11.690 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.041 -12.426 -10.307 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.461 -12.570 -11.198 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.892 -11.001 -11.879 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.182 -13.665 -13.261 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.196 -11.428 -13.941 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.132 -14.106 -15.322 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.322 -12.986 -15.662 1.00 0.00 H new ATOM 1652 N ARG A 107 -3.115 -10.745 -10.532 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.554 -10.456 -10.772 1.00 0.00 C ATOM 1654 C ARG A 107 -4.747 -8.940 -10.801 1.00 0.00 C ATOM 1655 O ARG A 107 -5.708 -8.436 -11.346 1.00 0.00 O ATOM 1656 CB ARG A 107 -5.396 -11.060 -9.645 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.838 -11.236 -10.125 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.404 -12.548 -9.578 1.00 0.00 C ATOM 1659 NE ARG A 107 -8.760 -12.307 -9.011 1.00 0.00 N ATOM 1660 CZ ARG A 107 -8.894 -11.618 -7.910 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -8.774 -12.209 -6.753 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -9.149 -10.339 -7.967 1.00 0.00 N ATOM 0 H ARG A 107 -2.919 -11.357 -9.740 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.869 -10.891 -11.721 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.982 -12.022 -9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.369 -10.412 -8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.448 -10.397 -9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.871 -11.240 -11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.458 -13.292 -10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.743 -12.949 -8.810 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.584 -12.680 -9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.576 -13.209 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.879 -11.671 -5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.244 -9.878 -8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.254 -9.801 -7.107 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.826 -8.209 -10.230 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.946 -6.726 -10.241 1.00 0.00 C ATOM 1678 C ALA A 108 -3.839 -6.252 -11.686 1.00 0.00 C ATOM 1679 O ALA A 108 -4.680 -5.528 -12.181 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.816 -6.105 -9.416 1.00 0.00 C ATOM 0 H ALA A 108 -2.999 -8.576 -9.758 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.901 -6.425 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.911 -5.019 -9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.877 -6.463 -8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.855 -6.391 -9.843 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.812 -6.672 -12.371 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.651 -6.265 -13.793 1.00 0.00 C ATOM 1688 C TYR A 109 -3.794 -6.870 -14.613 1.00 0.00 C ATOM 1689 O TYR A 109 -4.070 -6.449 -15.718 1.00 0.00 O ATOM 1690 CB TYR A 109 -1.312 -6.779 -14.324 1.00 0.00 C ATOM 1691 CG TYR A 109 -0.186 -6.165 -13.527 1.00 0.00 C ATOM 1692 CD1 TYR A 109 -0.142 -4.779 -13.327 1.00 0.00 C ATOM 1693 CD2 TYR A 109 0.816 -6.981 -12.987 1.00 0.00 C ATOM 1694 CE1 TYR A 109 0.902 -4.211 -12.589 1.00 0.00 C ATOM 1695 CE2 TYR A 109 1.860 -6.411 -12.249 1.00 0.00 C ATOM 1696 CZ TYR A 109 1.904 -5.027 -12.050 1.00 0.00 C ATOM 1697 OH TYR A 109 2.933 -4.465 -11.322 1.00 0.00 O ATOM 0 H TYR A 109 -2.078 -7.279 -12.007 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.674 -5.178 -13.872 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.273 -7.866 -14.251 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -1.205 -6.526 -15.379 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.914 -4.149 -13.743 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.783 -8.050 -13.140 1.00 0.00 H new ATOM 0 HE1 TYR A 109 0.935 -3.143 -12.435 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.633 -7.041 -11.833 1.00 0.00 H new ATOM 0 HH TYR A 109 3.791 -4.705 -11.730 1.00 0.00 H new ATOM 1707 N PHE A 110 -4.461 -7.857 -14.075 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.587 -8.493 -14.817 1.00 0.00 C ATOM 1709 C PHE A 110 -6.873 -8.379 -13.998 1.00 0.00 C ATOM 1710 O PHE A 110 -7.100 -9.135 -13.076 1.00 0.00 O ATOM 1711 CB PHE A 110 -5.282 -9.971 -15.049 1.00 0.00 C ATOM 1712 CG PHE A 110 -4.010 -10.112 -15.843 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -2.794 -9.681 -15.301 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -4.046 -10.681 -17.120 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -1.613 -9.821 -16.035 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -2.865 -10.820 -17.856 1.00 0.00 C ATOM 1717 CZ PHE A 110 -1.649 -10.390 -17.313 1.00 0.00 C ATOM 0 H PHE A 110 -4.274 -8.250 -13.153 1.00 0.00 H new ATOM 0 HA PHE A 110 -5.711 -7.986 -15.774 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.184 -10.486 -14.093 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -6.108 -10.443 -15.581 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -2.768 -9.240 -14.315 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.985 -11.013 -17.537 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.674 -9.491 -15.616 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -2.891 -11.259 -18.842 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.737 -10.497 -17.881 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.719 -7.446 -14.331 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.993 -7.296 -13.573 1.00 0.00 C ATOM 1729 C LYS A 111 -10.010 -8.318 -14.089 1.00 0.00 C ATOM 1730 O LYS A 111 -10.945 -7.979 -14.786 1.00 0.00 O ATOM 1731 CB LYS A 111 -9.543 -5.883 -13.775 1.00 0.00 C ATOM 1732 CG LYS A 111 -9.889 -5.675 -15.251 1.00 0.00 C ATOM 1733 CD LYS A 111 -9.567 -4.234 -15.654 1.00 0.00 C ATOM 1734 CE LYS A 111 -10.631 -3.725 -16.627 1.00 0.00 C ATOM 1735 NZ LYS A 111 -10.052 -2.643 -17.473 1.00 0.00 N ATOM 0 H LYS A 111 -7.585 -6.782 -15.093 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.810 -7.465 -12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.430 -5.735 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.806 -5.146 -13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.323 -6.372 -15.870 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.945 -5.884 -15.421 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.533 -3.597 -14.770 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.582 -4.187 -16.119 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.986 -4.542 -17.255 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.493 -3.349 -16.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.775 -2.296 -18.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.734 -1.860 -16.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.243 -3.017 -18.009 1.00 0.00 H new ATOM 1749 N GLN A 112 -9.831 -9.570 -13.758 1.00 0.00 N ATOM 1750 CA GLN A 112 -10.788 -10.610 -14.235 1.00 0.00 C ATOM 1751 C GLN A 112 -10.708 -11.841 -13.328 1.00 0.00 C ATOM 1752 O GLN A 112 -11.701 -12.288 -12.787 1.00 0.00 O ATOM 1753 CB GLN A 112 -10.434 -11.009 -15.670 1.00 0.00 C ATOM 1754 CG GLN A 112 -8.923 -11.226 -15.788 1.00 0.00 C ATOM 1755 CD GLN A 112 -8.417 -10.602 -17.090 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -8.143 -11.300 -18.046 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -8.281 -9.306 -17.168 1.00 0.00 N ATOM 0 H GLN A 112 -9.065 -9.916 -13.180 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.801 -10.208 -14.207 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.965 -11.920 -15.946 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.755 -10.232 -16.363 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.413 -10.778 -14.935 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.696 -12.292 -15.771 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -8.511 -8.720 -16.366 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.945 -8.880 -18.031 1.00 0.00 H new ATOM 1766 N GLY A 113 -9.538 -12.396 -13.155 1.00 0.00 N ATOM 1767 CA GLY A 113 -9.406 -13.599 -12.281 1.00 0.00 C ATOM 1768 C GLY A 113 -8.157 -14.391 -12.674 1.00 0.00 C ATOM 1769 O GLY A 113 -7.646 -15.181 -11.906 1.00 0.00 O ATOM 0 H GLY A 113 -8.670 -12.070 -13.580 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.341 -13.295 -11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.291 -14.228 -12.376 1.00 0.00 H new ATOM 1773 N LEU A 114 -7.662 -14.186 -13.866 1.00 0.00 N ATOM 1774 CA LEU A 114 -6.444 -14.925 -14.311 1.00 0.00 C ATOM 1775 C LEU A 114 -6.733 -16.429 -14.353 1.00 0.00 C ATOM 1776 O LEU A 114 -7.292 -16.990 -13.432 1.00 0.00 O ATOM 1777 CB LEU A 114 -5.293 -14.662 -13.335 1.00 0.00 C ATOM 1778 CG LEU A 114 -4.839 -13.207 -13.449 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.527 -13.020 -12.686 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -4.620 -12.855 -14.920 1.00 0.00 C ATOM 0 H LEU A 114 -8.049 -13.538 -14.552 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.166 -14.580 -15.307 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.614 -14.874 -12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.460 -15.330 -13.552 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.604 -12.556 -13.026 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.203 -11.982 -12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.678 -13.272 -11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.764 -13.672 -13.110 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.296 -11.817 -15.002 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.855 -13.508 -15.340 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.552 -12.988 -15.469 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.342 -17.086 -15.412 1.00 0.00 N ATOM 1793 CA ILE A 115 -6.580 -18.555 -15.511 1.00 0.00 C ATOM 1794 C ILE A 115 -5.230 -19.276 -15.560 1.00 0.00 C ATOM 1795 O ILE A 115 -4.200 -18.676 -15.796 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.377 -18.867 -16.785 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -8.863 -18.582 -16.538 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -7.199 -20.345 -17.161 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.706 -19.259 -17.623 1.00 0.00 C ATOM 0 H ILE A 115 -5.868 -16.669 -16.213 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.148 -18.893 -14.645 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.012 -18.241 -17.600 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -9.155 -18.950 -15.554 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.043 -17.507 -16.542 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.767 -20.561 -18.066 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.143 -20.551 -17.337 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -7.560 -20.974 -16.347 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.762 -19.054 -17.444 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.421 -18.870 -18.601 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.536 -20.335 -17.597 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.232 -20.562 -15.344 1.00 0.00 N ATOM 1812 CA TYR A 116 -3.955 -21.326 -15.382 1.00 0.00 C ATOM 1813 C TYR A 116 -4.200 -22.681 -16.052 1.00 0.00 C ATOM 1814 O TYR A 116 -4.738 -23.592 -15.456 1.00 0.00 O ATOM 1815 CB TYR A 116 -3.432 -21.542 -13.958 1.00 0.00 C ATOM 1816 CG TYR A 116 -3.935 -20.441 -13.052 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -5.264 -20.451 -12.608 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -3.073 -19.411 -12.658 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -5.729 -19.430 -11.770 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -3.538 -18.391 -11.819 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.866 -18.401 -11.376 1.00 0.00 C ATOM 1822 OH TYR A 116 -5.324 -17.395 -10.550 1.00 0.00 O ATOM 0 H TYR A 116 -6.064 -21.117 -15.143 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.213 -20.764 -15.949 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -3.761 -22.511 -13.584 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -2.342 -21.554 -13.960 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.929 -21.246 -12.912 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -2.049 -19.403 -13.001 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -6.753 -19.437 -11.428 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -2.873 -17.597 -11.514 1.00 0.00 H new ATOM 0 HH TYR A 116 -4.598 -16.762 -10.372 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.816 -22.816 -17.294 1.00 0.00 N ATOM 1833 CA LYS A 117 -4.034 -24.108 -18.006 1.00 0.00 C ATOM 1834 C LYS A 117 -2.945 -25.109 -17.600 1.00 0.00 C ATOM 1835 O LYS A 117 -2.217 -24.894 -16.653 1.00 0.00 O ATOM 1836 CB LYS A 117 -3.981 -23.864 -19.516 1.00 0.00 C ATOM 1837 CG LYS A 117 -5.118 -22.922 -19.920 1.00 0.00 C ATOM 1838 CD LYS A 117 -6.208 -23.714 -20.644 1.00 0.00 C ATOM 1839 CE LYS A 117 -7.539 -23.535 -19.911 1.00 0.00 C ATOM 1840 NZ LYS A 117 -8.573 -24.405 -20.538 1.00 0.00 N ATOM 0 H LYS A 117 -3.361 -22.088 -17.845 1.00 0.00 H new ATOM 0 HA LYS A 117 -5.009 -24.516 -17.739 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.020 -23.430 -19.792 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.070 -24.809 -20.051 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.533 -22.437 -19.037 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.737 -22.133 -20.568 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.299 -23.370 -21.674 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.941 -24.770 -20.682 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.423 -23.791 -18.858 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.852 -22.492 -19.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.478 -24.283 -20.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.690 -24.141 -21.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.274 -25.399 -20.476 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.832 -26.209 -18.298 1.00 0.00 N ATOM 1855 CA GLN A 118 -1.794 -27.224 -17.936 1.00 0.00 C ATOM 1856 C GLN A 118 -0.492 -26.952 -18.700 1.00 0.00 C ATOM 1857 O GLN A 118 -0.475 -26.889 -19.913 1.00 0.00 O ATOM 1858 CB GLN A 118 -2.306 -28.622 -18.289 1.00 0.00 C ATOM 1859 CG GLN A 118 -1.426 -29.676 -17.613 1.00 0.00 C ATOM 1860 CD GLN A 118 -2.304 -30.636 -16.809 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -2.135 -30.776 -15.614 1.00 0.00 O ATOM 1862 NE2 GLN A 118 -3.243 -31.309 -17.418 1.00 0.00 N ATOM 0 H GLN A 118 -3.412 -26.450 -19.102 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.596 -27.160 -16.866 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.340 -28.734 -17.964 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.294 -28.763 -19.370 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -0.859 -30.227 -18.363 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.701 -29.193 -16.957 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.386 -31.192 -18.421 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -3.834 -31.952 -16.890 1.00 0.00 H new ATOM 1871 N GLY A 119 0.600 -26.800 -17.996 1.00 0.00 N ATOM 1872 CA GLY A 119 1.905 -26.538 -18.677 1.00 0.00 C ATOM 1873 C GLY A 119 2.196 -27.657 -19.681 1.00 0.00 C ATOM 1874 O GLY A 119 1.311 -28.384 -20.085 1.00 0.00 O ATOM 0 H GLY A 119 0.645 -26.846 -16.978 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.873 -25.576 -19.189 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.706 -26.480 -17.940 1.00 0.00 H new ATOM 1878 N GLY A 120 3.430 -27.800 -20.095 1.00 0.00 N ATOM 1879 CA GLY A 120 3.758 -28.872 -21.078 1.00 0.00 C ATOM 1880 C GLY A 120 3.090 -28.546 -22.412 1.00 0.00 C ATOM 1881 O GLY A 120 2.183 -29.228 -22.848 1.00 0.00 O ATOM 0 H GLY A 120 4.218 -27.225 -19.796 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.838 -28.947 -21.206 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.413 -29.838 -20.710 1.00 0.00 H new ATOM 1885 N VAL A 121 3.526 -27.504 -23.061 1.00 0.00 N ATOM 1886 CA VAL A 121 2.919 -27.123 -24.360 1.00 0.00 C ATOM 1887 C VAL A 121 3.672 -27.801 -25.495 1.00 0.00 C ATOM 1888 O VAL A 121 4.746 -27.391 -25.887 1.00 0.00 O ATOM 1889 CB VAL A 121 2.989 -25.617 -24.551 1.00 0.00 C ATOM 1890 CG1 VAL A 121 1.825 -25.168 -25.432 1.00 0.00 C ATOM 1891 CG2 VAL A 121 2.903 -24.921 -23.192 1.00 0.00 C ATOM 0 H VAL A 121 4.282 -26.897 -22.743 1.00 0.00 H new ATOM 0 HA VAL A 121 1.876 -27.440 -24.364 1.00 0.00 H new ATOM 0 HB VAL A 121 3.933 -25.353 -25.029 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.870 -24.088 -25.572 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.890 -25.663 -26.401 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.883 -25.432 -24.952 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.953 -23.841 -23.332 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.961 -25.181 -22.709 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.733 -25.244 -22.564 1.00 0.00 H new