USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0049 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00367 X(o=-0.0037,f=-0.16) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.901 K(o=-0.9,f=-4.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.36 K(o=-2.4,f=-6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.273 F(o=-1.1,f=-0.27) USER MOD Single : A 40 GLN :FLIP amide:sc= -1 F(o=-1.9,f=-1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.43) USER MOD Single : A 56 SER OG : rot -156:sc= 1.05 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -5.03! C(o=-6.1!,f=-5!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.259 X(o=-0.26,f=0.00043) USER MOD Single : A 64 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.6!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc=-0.000785 X(o=-0.00079,f=-0.095) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.3!) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0212) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 30:sc= 0.529 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.693 15.304 -0.974 1.00 0.00 N ATOM 2 CA GLY A 1 18.862 15.367 -2.164 1.00 0.00 C ATOM 3 C GLY A 1 19.257 14.280 -3.167 1.00 0.00 C ATOM 4 O GLY A 1 19.485 13.133 -2.787 1.00 0.00 O ATOM 0 H1 GLY A 1 19.102 15.443 -0.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.156 14.374 -0.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.417 16.049 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.814 15.248 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.959 16.348 -2.628 1.00 0.00 H new ATOM 8 N SER A 2 19.326 14.681 -4.428 1.00 0.00 N ATOM 9 CA SER A 2 19.689 13.756 -5.488 1.00 0.00 C ATOM 10 C SER A 2 18.689 12.599 -5.539 1.00 0.00 C ATOM 11 O SER A 2 18.938 11.533 -4.979 1.00 0.00 O ATOM 12 CB SER A 2 21.109 13.221 -5.289 1.00 0.00 C ATOM 13 OG SER A 2 21.982 13.621 -6.342 1.00 0.00 O ATOM 0 H SER A 2 19.137 15.634 -4.739 1.00 0.00 H new ATOM 0 HA SER A 2 19.661 14.294 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.501 13.579 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.082 12.133 -5.234 1.00 0.00 H new ATOM 0 HG SER A 2 22.879 13.261 -6.178 1.00 0.00 H new ATOM 19 N SER A 3 17.578 12.849 -6.216 1.00 0.00 N ATOM 20 CA SER A 3 16.539 11.842 -6.347 1.00 0.00 C ATOM 21 C SER A 3 15.867 11.959 -7.717 1.00 0.00 C ATOM 22 O SER A 3 15.843 13.036 -8.311 1.00 0.00 O ATOM 23 CB SER A 3 15.498 11.976 -5.234 1.00 0.00 C ATOM 24 OG SER A 3 15.716 11.036 -4.184 1.00 0.00 O ATOM 0 H SER A 3 17.375 13.734 -6.680 1.00 0.00 H new ATOM 0 HA SER A 3 17.003 10.859 -6.258 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.529 12.987 -4.828 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.501 11.830 -5.650 1.00 0.00 H new ATOM 0 HG SER A 3 15.032 11.154 -3.492 1.00 0.00 H new ATOM 30 N GLY A 4 15.339 10.835 -8.179 1.00 0.00 N ATOM 31 CA GLY A 4 14.670 10.798 -9.468 1.00 0.00 C ATOM 32 C GLY A 4 13.154 10.923 -9.303 1.00 0.00 C ATOM 33 O GLY A 4 12.679 11.693 -8.469 1.00 0.00 O ATOM 0 H GLY A 4 15.361 9.944 -7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.039 11.608 -10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.908 9.865 -9.979 1.00 0.00 H new ATOM 37 N SER A 5 12.437 10.156 -10.110 1.00 0.00 N ATOM 38 CA SER A 5 10.984 10.171 -10.063 1.00 0.00 C ATOM 39 C SER A 5 10.425 8.923 -10.748 1.00 0.00 C ATOM 40 O SER A 5 9.709 8.138 -10.127 1.00 0.00 O ATOM 41 CB SER A 5 10.426 11.434 -10.723 1.00 0.00 C ATOM 42 OG SER A 5 10.952 11.630 -12.032 1.00 0.00 O ATOM 0 H SER A 5 12.835 9.520 -10.801 1.00 0.00 H new ATOM 0 HA SER A 5 10.675 10.172 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.339 11.365 -10.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.661 12.300 -10.105 1.00 0.00 H new ATOM 0 HG SER A 5 10.570 12.445 -12.419 1.00 0.00 H new ATOM 48 N SER A 6 10.773 8.778 -12.018 1.00 0.00 N ATOM 49 CA SER A 6 10.315 7.638 -12.794 1.00 0.00 C ATOM 50 C SER A 6 11.512 6.815 -13.273 1.00 0.00 C ATOM 51 O SER A 6 12.289 7.272 -14.110 1.00 0.00 O ATOM 52 CB SER A 6 9.469 8.088 -13.987 1.00 0.00 C ATOM 53 OG SER A 6 8.241 7.369 -14.072 1.00 0.00 O ATOM 0 H SER A 6 11.367 9.431 -12.529 1.00 0.00 H new ATOM 0 HA SER A 6 9.689 7.017 -12.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.260 9.154 -13.901 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.036 7.947 -14.907 1.00 0.00 H new ATOM 0 HG SER A 6 7.729 7.686 -14.845 1.00 0.00 H new ATOM 59 N GLY A 7 11.625 5.616 -12.721 1.00 0.00 N ATOM 60 CA GLY A 7 12.714 4.725 -13.082 1.00 0.00 C ATOM 61 C GLY A 7 12.687 3.453 -12.232 1.00 0.00 C ATOM 62 O GLY A 7 13.285 3.407 -11.158 1.00 0.00 O ATOM 0 H GLY A 7 10.980 5.241 -12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.639 4.463 -14.137 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.667 5.237 -12.947 1.00 0.00 H new ATOM 66 N LYS A 8 11.988 2.452 -12.745 1.00 0.00 N ATOM 67 CA LYS A 8 11.875 1.183 -12.046 1.00 0.00 C ATOM 68 C LYS A 8 11.277 1.421 -10.658 1.00 0.00 C ATOM 69 O LYS A 8 11.665 0.767 -9.691 1.00 0.00 O ATOM 70 CB LYS A 8 13.226 0.464 -12.019 1.00 0.00 C ATOM 71 CG LYS A 8 13.674 0.085 -13.432 1.00 0.00 C ATOM 72 CD LYS A 8 15.043 -0.597 -13.409 1.00 0.00 C ATOM 73 CE LYS A 8 15.795 -0.362 -14.721 1.00 0.00 C ATOM 74 NZ LYS A 8 17.222 -0.726 -14.572 1.00 0.00 N ATOM 0 H LYS A 8 11.494 2.494 -13.636 1.00 0.00 H new ATOM 0 HA LYS A 8 11.195 0.516 -12.576 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.975 1.107 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.152 -0.433 -11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.939 -0.582 -13.884 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.719 0.978 -14.055 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.631 -0.213 -12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.917 -1.667 -13.244 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.344 -0.954 -15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.709 0.684 -15.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.718 -0.561 -15.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.653 -0.143 -13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.299 -1.730 -14.314 1.00 0.00 H new ATOM 88 N LEU A 9 10.343 2.358 -10.604 1.00 0.00 N ATOM 89 CA LEU A 9 9.688 2.691 -9.351 1.00 0.00 C ATOM 90 C LEU A 9 10.738 3.149 -8.337 1.00 0.00 C ATOM 91 O LEU A 9 11.563 2.353 -7.890 1.00 0.00 O ATOM 92 CB LEU A 9 8.834 1.518 -8.865 1.00 0.00 C ATOM 93 CG LEU A 9 7.567 1.231 -9.672 1.00 0.00 C ATOM 94 CD1 LEU A 9 7.255 -0.267 -9.689 1.00 0.00 C ATOM 95 CD2 LEU A 9 6.388 2.056 -9.154 1.00 0.00 C ATOM 0 H LEU A 9 10.024 2.898 -11.408 1.00 0.00 H new ATOM 0 HA LEU A 9 8.997 3.522 -9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.452 0.620 -8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.547 1.707 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 9 7.744 1.535 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.349 -0.443 -10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.087 -0.807 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.106 -0.619 -8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.500 1.833 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.201 1.807 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.622 3.117 -9.237 1.00 0.00 H new ATOM 107 N HIS A 10 10.674 4.430 -8.004 1.00 0.00 N ATOM 108 CA HIS A 10 11.610 5.003 -7.051 1.00 0.00 C ATOM 109 C HIS A 10 11.007 4.952 -5.646 1.00 0.00 C ATOM 110 O HIS A 10 9.791 5.045 -5.484 1.00 0.00 O ATOM 111 CB HIS A 10 12.015 6.417 -7.472 1.00 0.00 C ATOM 112 CG HIS A 10 13.494 6.580 -7.730 1.00 0.00 C ATOM 113 ND1 HIS A 10 14.460 6.243 -6.798 1.00 0.00 N ATOM 114 CD2 HIS A 10 14.161 7.048 -8.824 1.00 0.00 C ATOM 115 CE1 HIS A 10 15.651 6.501 -7.318 1.00 0.00 C ATOM 116 NE2 HIS A 10 15.464 7.000 -8.573 1.00 0.00 N ATOM 0 H HIS A 10 9.989 5.087 -8.377 1.00 0.00 H new ATOM 0 HA HIS A 10 12.527 4.414 -7.036 1.00 0.00 H new ATOM 0 HB2 HIS A 10 11.467 6.687 -8.375 1.00 0.00 H new ATOM 0 HB3 HIS A 10 11.713 7.118 -6.694 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.706 7.398 -9.739 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.603 6.344 -6.833 1.00 0.00 H new ATOM 0 HE2 HIS A 10 16.203 7.289 -9.214 1.00 0.00 H new ATOM 124 N TYR A 11 11.885 4.804 -4.665 1.00 0.00 N ATOM 125 CA TYR A 11 11.455 4.740 -3.279 1.00 0.00 C ATOM 126 C TYR A 11 10.568 5.935 -2.924 1.00 0.00 C ATOM 127 O TYR A 11 10.401 6.849 -3.729 1.00 0.00 O ATOM 128 CB TYR A 11 12.732 4.799 -2.438 1.00 0.00 C ATOM 129 CG TYR A 11 13.568 3.519 -2.484 1.00 0.00 C ATOM 130 CD1 TYR A 11 13.006 2.314 -2.114 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.884 3.569 -2.896 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.793 1.109 -2.158 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.671 2.364 -2.940 1.00 0.00 C ATOM 134 CZ TYR A 11 15.087 1.193 -2.568 1.00 0.00 C ATOM 135 OH TYR A 11 15.830 0.055 -2.610 1.00 0.00 O ATOM 0 H TYR A 11 12.893 4.727 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 11 10.877 3.834 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.344 5.633 -2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.463 5.008 -1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.976 2.275 -1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.324 4.512 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.365 0.160 -1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.702 2.389 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 11 16.734 0.266 -2.923 1.00 0.00 H new ATOM 145 N LYS A 12 10.024 5.889 -1.717 1.00 0.00 N ATOM 146 CA LYS A 12 9.158 6.957 -1.245 1.00 0.00 C ATOM 147 C LYS A 12 8.248 7.412 -2.388 1.00 0.00 C ATOM 148 O LYS A 12 8.372 8.534 -2.875 1.00 0.00 O ATOM 149 CB LYS A 12 9.987 8.087 -0.632 1.00 0.00 C ATOM 150 CG LYS A 12 10.407 7.745 0.799 1.00 0.00 C ATOM 151 CD LYS A 12 10.032 8.872 1.764 1.00 0.00 C ATOM 152 CE LYS A 12 10.780 10.161 1.420 1.00 0.00 C ATOM 153 NZ LYS A 12 11.509 10.669 2.604 1.00 0.00 N ATOM 0 H LYS A 12 10.166 5.129 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 12 8.511 6.598 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.873 8.265 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.408 9.010 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.926 6.818 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.483 7.573 0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.957 9.049 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.266 8.573 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.481 9.976 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.075 10.915 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.011 11.544 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.833 10.865 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.195 9.955 2.922 1.00 0.00 H new ATOM 167 N GLN A 13 7.354 6.517 -2.781 1.00 0.00 N ATOM 168 CA GLN A 13 6.423 6.813 -3.857 1.00 0.00 C ATOM 169 C GLN A 13 5.085 6.112 -3.609 1.00 0.00 C ATOM 170 O GLN A 13 5.049 4.911 -3.348 1.00 0.00 O ATOM 171 CB GLN A 13 7.008 6.413 -5.214 1.00 0.00 C ATOM 172 CG GLN A 13 5.958 6.532 -6.320 1.00 0.00 C ATOM 173 CD GLN A 13 6.621 6.690 -7.690 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.775 7.065 -7.810 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.828 6.383 -8.713 1.00 0.00 N ATOM 0 H GLN A 13 7.254 5.587 -2.374 1.00 0.00 H new ATOM 0 HA GLN A 13 6.250 7.889 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.862 7.049 -5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.378 5.389 -5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.322 5.647 -6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.313 7.388 -6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.871 6.075 -8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.177 6.455 -9.669 1.00 0.00 H new ATOM 184 N ILE A 14 4.019 6.894 -3.701 1.00 0.00 N ATOM 185 CA ILE A 14 2.683 6.364 -3.489 1.00 0.00 C ATOM 186 C ILE A 14 2.220 5.639 -4.755 1.00 0.00 C ATOM 187 O ILE A 14 2.262 6.202 -5.848 1.00 0.00 O ATOM 188 CB ILE A 14 1.732 7.473 -3.034 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.367 8.319 -1.928 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.380 6.896 -2.611 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.101 7.708 -0.550 1.00 0.00 C ATOM 0 H ILE A 14 4.054 7.890 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 14 2.688 5.630 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 14 1.548 8.135 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.441 8.395 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.966 9.332 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.277 7.705 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.072 6.372 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.524 6.199 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.563 8.328 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.026 7.656 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.524 6.704 -0.509 1.00 0.00 H new ATOM 203 N VAL A 15 1.791 4.400 -4.565 1.00 0.00 N ATOM 204 CA VAL A 15 1.321 3.592 -5.678 1.00 0.00 C ATOM 205 C VAL A 15 0.210 2.659 -5.192 1.00 0.00 C ATOM 206 O VAL A 15 -0.017 2.532 -3.990 1.00 0.00 O ATOM 207 CB VAL A 15 2.495 2.845 -6.314 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.305 3.769 -7.225 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.386 2.211 -5.244 1.00 0.00 C ATOM 0 H VAL A 15 1.759 3.936 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 15 0.896 4.225 -6.457 1.00 0.00 H new ATOM 0 HB VAL A 15 2.087 2.043 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.133 3.213 -7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.663 4.151 -8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.697 4.603 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.213 1.686 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.780 2.989 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.801 1.505 -4.655 1.00 0.00 H new ATOM 219 N TRP A 16 -0.452 2.029 -6.151 1.00 0.00 N ATOM 220 CA TRP A 16 -1.533 1.111 -5.836 1.00 0.00 C ATOM 221 C TRP A 16 -0.970 -0.312 -5.870 1.00 0.00 C ATOM 222 O TRP A 16 -0.023 -0.591 -6.603 1.00 0.00 O ATOM 223 CB TRP A 16 -2.715 1.308 -6.787 1.00 0.00 C ATOM 224 CG TRP A 16 -3.457 2.632 -6.592 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.307 3.772 -7.280 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.477 2.909 -5.609 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.153 4.758 -6.816 1.00 0.00 N ATOM 228 CE2 TRP A 16 -4.887 4.217 -5.768 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.036 2.080 -4.620 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -5.872 4.813 -4.971 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.019 2.691 -3.832 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.443 4.007 -3.979 1.00 0.00 C ATOM 0 H TRP A 16 -0.260 2.136 -7.147 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.926 1.307 -4.838 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.355 1.253 -7.814 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.418 0.486 -6.652 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.611 3.903 -8.096 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.226 5.709 -7.176 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.731 1.053 -4.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.175 5.840 -5.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.480 2.099 -3.056 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.209 4.406 -3.331 1.00 0.00 H new ATOM 243 N VAL A 17 -1.577 -1.173 -5.066 1.00 0.00 N ATOM 244 CA VAL A 17 -1.148 -2.559 -4.995 1.00 0.00 C ATOM 245 C VAL A 17 -2.206 -3.450 -5.650 1.00 0.00 C ATOM 246 O VAL A 17 -3.401 -3.178 -5.549 1.00 0.00 O ATOM 247 CB VAL A 17 -0.860 -2.944 -3.542 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.155 -3.033 -2.731 1.00 0.00 C ATOM 249 CG2 VAL A 17 -0.074 -4.254 -3.467 1.00 0.00 C ATOM 0 H VAL A 17 -2.362 -0.937 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.218 -2.699 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.244 -2.159 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.922 -3.308 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.659 -2.067 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.808 -3.788 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.117 -4.504 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.652 -5.053 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.874 -4.140 -3.992 1.00 0.00 H new ATOM 259 N LYS A 18 -1.727 -4.496 -6.307 1.00 0.00 N ATOM 260 CA LYS A 18 -2.616 -5.429 -6.979 1.00 0.00 C ATOM 261 C LYS A 18 -3.018 -6.536 -6.003 1.00 0.00 C ATOM 262 O LYS A 18 -2.161 -7.238 -5.469 1.00 0.00 O ATOM 263 CB LYS A 18 -1.974 -5.947 -8.268 1.00 0.00 C ATOM 264 CG LYS A 18 -2.870 -6.984 -8.948 1.00 0.00 C ATOM 265 CD LYS A 18 -2.709 -6.936 -10.468 1.00 0.00 C ATOM 266 CE LYS A 18 -2.420 -8.328 -11.034 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.229 -8.572 -12.249 1.00 0.00 N ATOM 0 H LYS A 18 -0.735 -4.718 -6.388 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.533 -4.927 -7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.793 -5.115 -8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.004 -6.391 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.620 -7.980 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.911 -6.800 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.617 -6.537 -10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.897 -6.257 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.360 -8.417 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.643 -9.086 -10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.021 -9.521 -12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.240 -8.507 -12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.996 -7.860 -12.970 1.00 0.00 H new ATOM 281 N LEU A 19 -4.322 -6.658 -5.801 1.00 0.00 N ATOM 282 CA LEU A 19 -4.848 -7.669 -4.899 1.00 0.00 C ATOM 283 C LEU A 19 -5.945 -8.461 -5.613 1.00 0.00 C ATOM 284 O LEU A 19 -5.794 -9.658 -5.854 1.00 0.00 O ATOM 285 CB LEU A 19 -5.306 -7.029 -3.587 1.00 0.00 C ATOM 286 CG LEU A 19 -4.444 -5.878 -3.065 1.00 0.00 C ATOM 287 CD1 LEU A 19 -5.025 -5.299 -1.774 1.00 0.00 C ATOM 288 CD2 LEU A 19 -2.988 -6.317 -2.892 1.00 0.00 C ATOM 0 H LEU A 19 -5.030 -6.074 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.068 -8.379 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.324 -6.663 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.344 -7.804 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.454 -5.081 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.393 -4.483 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.031 -4.924 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.066 -6.078 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.397 -5.480 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.939 -7.141 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.590 -6.643 -3.853 1.00 0.00 H new ATOM 300 N GLY A 20 -7.025 -7.762 -5.930 1.00 0.00 N ATOM 301 CA GLY A 20 -8.147 -8.386 -6.610 1.00 0.00 C ATOM 302 C GLY A 20 -9.232 -8.799 -5.614 1.00 0.00 C ATOM 303 O GLY A 20 -9.216 -8.371 -4.461 1.00 0.00 O ATOM 0 H GLY A 20 -7.147 -6.770 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.564 -7.694 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.802 -9.261 -7.161 1.00 0.00 H new ATOM 307 N ASN A 21 -10.148 -9.627 -6.095 1.00 0.00 N ATOM 308 CA ASN A 21 -11.238 -10.103 -5.260 1.00 0.00 C ATOM 309 C ASN A 21 -12.188 -8.943 -4.959 1.00 0.00 C ATOM 310 O ASN A 21 -13.336 -8.944 -5.401 1.00 0.00 O ATOM 311 CB ASN A 21 -10.716 -10.646 -3.928 1.00 0.00 C ATOM 312 CG ASN A 21 -9.557 -11.619 -4.149 1.00 0.00 C ATOM 313 OD1 ASN A 21 -9.080 -11.817 -5.255 1.00 0.00 O ATOM 314 ND2 ASN A 21 -9.131 -12.215 -3.039 1.00 0.00 N ATOM 0 H ASN A 21 -10.158 -9.980 -7.052 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.751 -10.901 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.387 -9.819 -3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.522 -11.150 -3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.361 -12.883 -3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.574 -12.004 -2.145 1.00 0.00 H new ATOM 321 N TYR A 22 -11.675 -7.980 -4.207 1.00 0.00 N ATOM 322 CA TYR A 22 -12.463 -6.815 -3.841 1.00 0.00 C ATOM 323 C TYR A 22 -12.048 -5.592 -4.662 1.00 0.00 C ATOM 324 O TYR A 22 -12.845 -5.058 -5.432 1.00 0.00 O ATOM 325 CB TYR A 22 -12.162 -6.550 -2.365 1.00 0.00 C ATOM 326 CG TYR A 22 -13.405 -6.271 -1.517 1.00 0.00 C ATOM 327 CD1 TYR A 22 -14.186 -7.318 -1.072 1.00 0.00 C ATOM 328 CD2 TYR A 22 -13.744 -4.972 -1.197 1.00 0.00 C ATOM 329 CE1 TYR A 22 -15.355 -7.055 -0.274 1.00 0.00 C ATOM 330 CE2 TYR A 22 -14.914 -4.709 -0.399 1.00 0.00 C ATOM 331 CZ TYR A 22 -15.662 -5.764 0.023 1.00 0.00 C ATOM 332 OH TYR A 22 -16.766 -5.516 0.777 1.00 0.00 O ATOM 0 H TYR A 22 -10.723 -7.983 -3.841 1.00 0.00 H new ATOM 0 HA TYR A 22 -13.522 -6.994 -4.026 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -11.638 -7.412 -1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.485 -5.699 -2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -13.920 -8.334 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.132 -4.153 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -15.975 -7.865 0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -15.191 -3.697 -0.142 1.00 0.00 H new ATOM 0 HH TYR A 22 -16.861 -4.550 0.911 1.00 0.00 H new ATOM 342 N ARG A 23 -10.803 -5.185 -4.469 1.00 0.00 N ATOM 343 CA ARG A 23 -10.273 -4.035 -5.182 1.00 0.00 C ATOM 344 C ARG A 23 -8.788 -3.849 -4.861 1.00 0.00 C ATOM 345 O ARG A 23 -8.200 -4.654 -4.141 1.00 0.00 O ATOM 346 CB ARG A 23 -11.031 -2.759 -4.810 1.00 0.00 C ATOM 347 CG ARG A 23 -11.668 -2.120 -6.046 1.00 0.00 C ATOM 348 CD ARG A 23 -12.824 -1.199 -5.653 1.00 0.00 C ATOM 349 NE ARG A 23 -13.010 -0.152 -6.682 1.00 0.00 N ATOM 350 CZ ARG A 23 -13.461 -0.388 -7.922 1.00 0.00 C ATOM 351 NH1 ARG A 23 -13.774 -1.637 -8.294 1.00 0.00 N ATOM 352 NH2 ARG A 23 -13.598 0.623 -8.789 1.00 0.00 N ATOM 0 H ARG A 23 -10.145 -5.631 -3.829 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.397 -4.221 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.804 -2.991 -4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.349 -2.050 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.916 -1.552 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.031 -2.899 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.740 -1.779 -5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.620 -0.738 -4.686 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.781 0.810 -6.432 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.669 -2.407 -7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.117 -1.817 -9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.359 1.573 -8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.941 0.443 -9.732 1.00 0.00 H new ATOM 366 N TRP A 24 -8.225 -2.783 -5.411 1.00 0.00 N ATOM 367 CA TRP A 24 -6.821 -2.482 -5.192 1.00 0.00 C ATOM 368 C TRP A 24 -6.688 -1.817 -3.821 1.00 0.00 C ATOM 369 O TRP A 24 -7.684 -1.406 -3.227 1.00 0.00 O ATOM 370 CB TRP A 24 -6.261 -1.624 -6.329 1.00 0.00 C ATOM 371 CG TRP A 24 -6.267 -2.318 -7.693 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.319 -2.804 -8.367 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.120 -2.584 -8.527 1.00 0.00 C ATOM 374 NE1 TRP A 24 -6.935 -3.361 -9.569 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.555 -3.223 -9.670 1.00 0.00 C ATOM 376 CE3 TRP A 24 -3.760 -2.293 -8.323 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.695 -3.627 -10.698 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -2.912 -2.703 -9.360 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.335 -3.348 -10.516 1.00 0.00 C ATOM 0 H TRP A 24 -8.716 -2.117 -6.008 1.00 0.00 H new ATOM 0 HA TRP A 24 -6.226 -3.395 -5.195 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.843 -0.705 -6.398 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.239 -1.336 -6.084 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.339 -2.764 -8.013 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.550 -3.795 -10.257 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.398 -1.793 -7.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.060 -4.127 -11.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.856 -2.504 -9.254 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.617 -3.633 -11.271 1.00 0.00 H new ATOM 390 N TRP A 25 -5.450 -1.732 -3.357 1.00 0.00 N ATOM 391 CA TRP A 25 -5.174 -1.125 -2.067 1.00 0.00 C ATOM 392 C TRP A 25 -4.005 -0.153 -2.242 1.00 0.00 C ATOM 393 O TRP A 25 -3.069 -0.430 -2.990 1.00 0.00 O ATOM 394 CB TRP A 25 -4.908 -2.192 -1.003 1.00 0.00 C ATOM 395 CG TRP A 25 -4.996 -1.675 0.434 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.032 -1.094 1.161 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.154 -1.715 1.293 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.483 -0.758 2.422 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.814 -1.148 2.505 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.447 -2.215 1.055 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.711 -1.027 3.573 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.331 -2.086 2.133 1.00 0.00 C ATOM 403 CH2 TRP A 25 -8.004 -1.518 3.359 1.00 0.00 C ATOM 0 H TRP A 25 -4.626 -2.074 -3.852 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.041 -0.568 -1.711 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.624 -3.004 -1.130 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.916 -2.614 -1.166 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.029 -0.912 0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.939 -0.307 3.157 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.735 -2.663 0.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.421 -0.579 4.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.338 -2.454 2.003 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.744 -1.456 4.143 1.00 0.00 H new ATOM 414 N PRO A 26 -4.101 0.997 -1.521 1.00 0.00 N ATOM 415 CA PRO A 26 -3.063 2.011 -1.590 1.00 0.00 C ATOM 416 C PRO A 26 -1.822 1.581 -0.804 1.00 0.00 C ATOM 417 O PRO A 26 -1.936 0.966 0.255 1.00 0.00 O ATOM 418 CB PRO A 26 -3.708 3.272 -1.037 1.00 0.00 C ATOM 419 CG PRO A 26 -4.925 2.808 -0.252 1.00 0.00 C ATOM 420 CD PRO A 26 -5.195 1.359 -0.625 1.00 0.00 C ATOM 0 HA PRO A 26 -2.703 2.175 -2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.014 3.817 -0.396 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.997 3.948 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.746 2.900 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.789 3.430 -0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.212 0.720 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.162 1.250 -1.116 1.00 0.00 H new ATOM 428 N ALA A 27 -0.666 1.921 -1.354 1.00 0.00 N ATOM 429 CA ALA A 27 0.595 1.578 -0.718 1.00 0.00 C ATOM 430 C ALA A 27 1.690 2.517 -1.228 1.00 0.00 C ATOM 431 O ALA A 27 1.544 3.133 -2.282 1.00 0.00 O ATOM 432 CB ALA A 27 0.917 0.106 -0.985 1.00 0.00 C ATOM 0 H ALA A 27 -0.576 2.430 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 27 0.528 1.706 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.863 -0.152 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.123 -0.520 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.995 -0.060 -2.059 1.00 0.00 H new ATOM 438 N GLU A 28 2.763 2.596 -0.455 1.00 0.00 N ATOM 439 CA GLU A 28 3.883 3.450 -0.814 1.00 0.00 C ATOM 440 C GLU A 28 5.194 2.664 -0.741 1.00 0.00 C ATOM 441 O GLU A 28 5.437 1.943 0.225 1.00 0.00 O ATOM 442 CB GLU A 28 3.937 4.690 0.080 1.00 0.00 C ATOM 443 CG GLU A 28 5.351 5.272 0.125 1.00 0.00 C ATOM 444 CD GLU A 28 6.102 4.791 1.368 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.852 5.376 2.444 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.910 3.850 1.215 1.00 0.00 O ATOM 0 H GLU A 28 2.881 2.083 0.419 1.00 0.00 H new ATOM 0 HA GLU A 28 3.741 3.789 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.242 5.442 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.615 4.430 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.898 4.978 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.300 6.361 0.125 1.00 0.00 H new ATOM 453 N ILE A 29 6.005 2.830 -1.776 1.00 0.00 N ATOM 454 CA ILE A 29 7.285 2.145 -1.841 1.00 0.00 C ATOM 455 C ILE A 29 8.212 2.702 -0.759 1.00 0.00 C ATOM 456 O ILE A 29 8.402 3.914 -0.662 1.00 0.00 O ATOM 457 CB ILE A 29 7.867 2.232 -3.254 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.967 1.515 -4.262 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.302 1.702 -3.288 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.415 1.801 -5.697 1.00 0.00 C ATOM 0 H ILE A 29 5.800 3.429 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 29 7.159 1.082 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 29 7.904 3.282 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.991 0.441 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.935 1.839 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.693 1.775 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.924 2.293 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.313 0.660 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.759 1.280 -6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.367 2.873 -5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.439 1.454 -5.834 1.00 0.00 H new ATOM 472 N CYS A 30 8.764 1.791 0.028 1.00 0.00 N ATOM 473 CA CYS A 30 9.667 2.175 1.100 1.00 0.00 C ATOM 474 C CYS A 30 11.035 1.548 0.824 1.00 0.00 C ATOM 475 O CYS A 30 11.168 0.705 -0.062 1.00 0.00 O ATOM 476 CB CYS A 30 9.120 1.774 2.471 1.00 0.00 C ATOM 477 SG CYS A 30 9.401 3.122 3.676 1.00 0.00 S ATOM 0 H CYS A 30 8.603 0.787 -0.055 1.00 0.00 H new ATOM 0 HA CYS A 30 9.765 3.260 1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.054 1.557 2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.608 0.861 2.814 1.00 0.00 H new ATOM 0 HG CYS A 30 8.931 2.772 4.836 1.00 0.00 H new ATOM 483 N ASN A 31 12.017 1.982 1.601 1.00 0.00 N ATOM 484 CA ASN A 31 13.370 1.473 1.452 1.00 0.00 C ATOM 485 C ASN A 31 13.593 0.332 2.446 1.00 0.00 C ATOM 486 O ASN A 31 12.896 0.238 3.455 1.00 0.00 O ATOM 487 CB ASN A 31 14.403 2.563 1.743 1.00 0.00 C ATOM 488 CG ASN A 31 14.316 3.690 0.712 1.00 0.00 C ATOM 489 OD1 ASN A 31 13.279 4.299 0.506 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.460 3.933 0.078 1.00 0.00 N ATOM 0 H ASN A 31 11.903 2.680 2.336 1.00 0.00 H new ATOM 0 HA ASN A 31 13.490 1.128 0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.240 2.966 2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.404 2.132 1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.505 4.667 -0.629 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.292 3.385 0.299 1.00 0.00 H new ATOM 497 N PRO A 32 14.594 -0.529 2.118 1.00 0.00 N ATOM 498 CA PRO A 32 14.918 -1.659 2.971 1.00 0.00 C ATOM 499 C PRO A 32 15.672 -1.205 4.222 1.00 0.00 C ATOM 500 O PRO A 32 15.542 -1.810 5.284 1.00 0.00 O ATOM 501 CB PRO A 32 15.734 -2.594 2.092 1.00 0.00 C ATOM 502 CG PRO A 32 16.230 -1.747 0.931 1.00 0.00 C ATOM 503 CD PRO A 32 15.440 -0.448 0.931 1.00 0.00 C ATOM 0 HA PRO A 32 14.031 -2.165 3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.568 -3.023 2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.126 -3.426 1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.296 -1.545 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.095 -2.276 -0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.101 0.418 0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.842 -0.348 0.025 1.00 0.00 H new ATOM 511 N ARG A 33 16.445 -0.141 4.054 1.00 0.00 N ATOM 512 CA ARG A 33 17.220 0.402 5.156 1.00 0.00 C ATOM 513 C ARG A 33 16.303 1.126 6.144 1.00 0.00 C ATOM 514 O ARG A 33 16.707 1.425 7.267 1.00 0.00 O ATOM 515 CB ARG A 33 18.287 1.376 4.652 1.00 0.00 C ATOM 516 CG ARG A 33 19.088 0.765 3.501 1.00 0.00 C ATOM 517 CD ARG A 33 18.470 1.128 2.149 1.00 0.00 C ATOM 518 NE ARG A 33 19.528 1.561 1.209 1.00 0.00 N ATOM 519 CZ ARG A 33 20.026 2.804 1.158 1.00 0.00 C ATOM 520 NH1 ARG A 33 19.564 3.745 1.993 1.00 0.00 N ATOM 521 NH2 ARG A 33 20.985 3.106 0.272 1.00 0.00 N ATOM 0 H ARG A 33 16.551 0.359 3.171 1.00 0.00 H new ATOM 0 HA ARG A 33 17.713 -0.431 5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.813 2.300 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.960 1.638 5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 33 20.118 1.120 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.120 -0.319 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.938 0.269 1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.737 1.925 2.277 1.00 0.00 H new ATOM 0 HE ARG A 33 19.902 0.870 0.559 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.834 3.515 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.943 4.691 1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.336 2.390 -0.364 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.364 4.052 0.233 1.00 0.00 H new ATOM 535 N SER A 34 15.087 1.388 5.690 1.00 0.00 N ATOM 536 CA SER A 34 14.109 2.072 6.519 1.00 0.00 C ATOM 537 C SER A 34 13.321 1.054 7.346 1.00 0.00 C ATOM 538 O SER A 34 13.325 1.112 8.575 1.00 0.00 O ATOM 539 CB SER A 34 13.157 2.914 5.668 1.00 0.00 C ATOM 540 OG SER A 34 13.072 4.259 6.133 1.00 0.00 O ATOM 0 H SER A 34 14.756 1.139 4.758 1.00 0.00 H new ATOM 0 HA SER A 34 14.642 2.744 7.192 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.497 2.909 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.165 2.463 5.680 1.00 0.00 H new ATOM 0 HG SER A 34 12.456 4.764 5.562 1.00 0.00 H new ATOM 546 N VAL A 35 12.665 0.146 6.640 1.00 0.00 N ATOM 547 CA VAL A 35 11.875 -0.883 7.293 1.00 0.00 C ATOM 548 C VAL A 35 12.767 -1.673 8.253 1.00 0.00 C ATOM 549 O VAL A 35 13.987 -1.692 8.099 1.00 0.00 O ATOM 550 CB VAL A 35 11.195 -1.767 6.245 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.408 -0.921 5.242 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.217 -2.654 5.531 1.00 0.00 C ATOM 0 H VAL A 35 12.664 0.101 5.621 1.00 0.00 H new ATOM 0 HA VAL A 35 11.078 -0.433 7.885 1.00 0.00 H new ATOM 0 HB VAL A 35 10.489 -2.417 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.935 -1.573 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.642 -0.351 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.086 -0.235 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.708 -3.272 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.957 -2.028 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.714 -3.295 6.259 1.00 0.00 H new ATOM 562 N PRO A 36 12.106 -2.322 9.249 1.00 0.00 N ATOM 563 CA PRO A 36 12.826 -3.112 10.234 1.00 0.00 C ATOM 564 C PRO A 36 13.298 -4.438 9.635 1.00 0.00 C ATOM 565 O PRO A 36 12.629 -5.007 8.773 1.00 0.00 O ATOM 566 CB PRO A 36 11.848 -3.293 11.383 1.00 0.00 C ATOM 567 CG PRO A 36 10.471 -3.001 10.810 1.00 0.00 C ATOM 568 CD PRO A 36 10.662 -2.322 9.463 1.00 0.00 C ATOM 0 HA PRO A 36 13.739 -2.626 10.578 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.898 -4.306 11.782 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.081 -2.615 12.204 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.902 -3.923 10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.905 -2.359 11.485 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.144 -2.862 8.670 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.263 -1.308 9.471 1.00 0.00 H new ATOM 576 N LEU A 37 14.446 -4.893 10.115 1.00 0.00 N ATOM 577 CA LEU A 37 15.015 -6.142 9.638 1.00 0.00 C ATOM 578 C LEU A 37 13.899 -7.176 9.474 1.00 0.00 C ATOM 579 O LEU A 37 13.905 -7.954 8.522 1.00 0.00 O ATOM 580 CB LEU A 37 16.148 -6.601 10.558 1.00 0.00 C ATOM 581 CG LEU A 37 17.552 -6.587 9.951 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.626 -7.491 8.719 1.00 0.00 C ATOM 583 CD2 LEU A 37 18.001 -5.158 9.641 1.00 0.00 C ATOM 0 H LEU A 37 14.998 -4.419 10.830 1.00 0.00 H new ATOM 0 HA LEU A 37 15.469 -6.003 8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.150 -5.966 11.444 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.929 -7.615 10.894 1.00 0.00 H new ATOM 0 HG LEU A 37 18.247 -6.990 10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.635 -7.463 8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.379 -8.514 9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.917 -7.141 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.002 -5.177 9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.309 -4.705 8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.012 -4.573 10.560 1.00 0.00 H new ATOM 595 N ASN A 38 12.968 -7.149 10.417 1.00 0.00 N ATOM 596 CA ASN A 38 11.848 -8.075 10.388 1.00 0.00 C ATOM 597 C ASN A 38 11.344 -8.215 8.950 1.00 0.00 C ATOM 598 O ASN A 38 11.198 -9.327 8.446 1.00 0.00 O ATOM 599 CB ASN A 38 10.690 -7.564 11.248 1.00 0.00 C ATOM 600 CG ASN A 38 9.467 -8.474 11.116 1.00 0.00 C ATOM 601 OD1 ASN A 38 8.375 -7.853 10.679 1.00 0.00 O flip ATOM 602 ND2 ASN A 38 9.511 -9.661 11.393 1.00 0.00 N flip ATOM 0 H ASN A 38 12.966 -6.501 11.205 1.00 0.00 H new ATOM 0 HA ASN A 38 12.192 -9.033 10.778 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.001 -7.516 12.292 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.428 -6.550 10.946 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.382 -10.076 11.724 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.676 -10.239 11.294 1.00 0.00 H new ATOM 609 N ILE A 39 11.091 -7.070 8.332 1.00 0.00 N ATOM 610 CA ILE A 39 10.607 -7.051 6.962 1.00 0.00 C ATOM 611 C ILE A 39 11.698 -7.586 6.032 1.00 0.00 C ATOM 612 O ILE A 39 11.439 -8.458 5.204 1.00 0.00 O ATOM 613 CB ILE A 39 10.111 -5.653 6.588 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.093 -5.141 7.610 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.555 -5.631 5.164 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.097 -6.238 7.989 1.00 0.00 C ATOM 0 H ILE A 39 11.212 -6.150 8.755 1.00 0.00 H new ATOM 0 HA ILE A 39 9.745 -7.709 6.854 1.00 0.00 H new ATOM 0 HB ILE A 39 10.961 -4.971 6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.612 -4.792 8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.558 -4.285 7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.209 -4.626 4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.337 -5.923 4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.721 -6.329 5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.385 -5.848 8.716 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.562 -6.567 7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.633 -7.082 8.423 1.00 0.00 H new ATOM 628 N GLN A 40 12.894 -7.042 6.201 1.00 0.00 N ATOM 629 CA GLN A 40 14.025 -7.453 5.387 1.00 0.00 C ATOM 630 C GLN A 40 14.079 -8.979 5.286 1.00 0.00 C ATOM 631 O GLN A 40 14.228 -9.527 4.195 1.00 0.00 O ATOM 632 CB GLN A 40 15.334 -6.894 5.945 1.00 0.00 C ATOM 633 CG GLN A 40 15.415 -5.380 5.742 1.00 0.00 C ATOM 634 CD GLN A 40 16.736 -4.824 6.279 1.00 0.00 C ATOM 635 OE1 GLN A 40 16.608 -3.689 6.961 1.00 0.00 O flip ATOM 636 NE2 GLN A 40 17.800 -5.388 6.086 1.00 0.00 N flip ATOM 0 H GLN A 40 13.104 -6.320 6.890 1.00 0.00 H new ATOM 0 HA GLN A 40 13.893 -7.046 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.409 -7.126 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.179 -7.376 5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.322 -5.146 4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.580 -4.896 6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.827 -6.257 5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.663 -4.990 6.457 1.00 0.00 H new ATOM 645 N GLY A 41 13.955 -9.621 6.438 1.00 0.00 N ATOM 646 CA GLY A 41 13.988 -11.073 6.493 1.00 0.00 C ATOM 647 C GLY A 41 13.119 -11.683 5.391 1.00 0.00 C ATOM 648 O GLY A 41 13.448 -12.736 4.847 1.00 0.00 O ATOM 0 H GLY A 41 13.831 -9.163 7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.015 -11.421 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.637 -11.412 7.468 1.00 0.00 H new ATOM 652 N LEU A 42 12.025 -10.996 5.095 1.00 0.00 N ATOM 653 CA LEU A 42 11.106 -11.457 4.068 1.00 0.00 C ATOM 654 C LEU A 42 11.900 -11.862 2.825 1.00 0.00 C ATOM 655 O LEU A 42 13.035 -11.427 2.639 1.00 0.00 O ATOM 656 CB LEU A 42 10.034 -10.401 3.796 1.00 0.00 C ATOM 657 CG LEU A 42 9.179 -9.988 4.996 1.00 0.00 C ATOM 658 CD1 LEU A 42 8.472 -8.656 4.733 1.00 0.00 C ATOM 659 CD2 LEU A 42 8.193 -11.095 5.374 1.00 0.00 C ATOM 0 H LEU A 42 11.754 -10.123 5.549 1.00 0.00 H new ATOM 0 HA LEU A 42 10.569 -12.343 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.522 -9.511 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.372 -10.777 3.016 1.00 0.00 H new ATOM 0 HG LEU A 42 9.839 -9.839 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.871 -8.385 5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.215 -7.880 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.826 -8.753 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.598 -10.776 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.534 -11.299 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.743 -12.000 5.632 1.00 0.00 H new ATOM 671 N LYS A 43 11.271 -12.692 2.005 1.00 0.00 N ATOM 672 CA LYS A 43 11.905 -13.161 0.785 1.00 0.00 C ATOM 673 C LYS A 43 11.489 -12.260 -0.380 1.00 0.00 C ATOM 674 O LYS A 43 10.568 -11.455 -0.248 1.00 0.00 O ATOM 675 CB LYS A 43 11.596 -14.642 0.556 1.00 0.00 C ATOM 676 CG LYS A 43 12.709 -15.528 1.122 1.00 0.00 C ATOM 677 CD LYS A 43 12.500 -16.991 0.726 1.00 0.00 C ATOM 678 CE LYS A 43 11.650 -17.724 1.766 1.00 0.00 C ATOM 679 NZ LYS A 43 12.512 -18.334 2.803 1.00 0.00 N ATOM 0 H LYS A 43 10.329 -13.051 2.162 1.00 0.00 H new ATOM 0 HA LYS A 43 12.990 -13.094 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.648 -14.897 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.482 -14.833 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.676 -15.183 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.731 -15.441 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.013 -17.042 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.466 -17.486 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.951 -17.028 2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.055 -18.496 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.919 -18.827 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.162 -19.013 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.061 -17.590 3.279 1.00 0.00 H new ATOM 693 N HIS A 44 12.187 -12.426 -1.493 1.00 0.00 N ATOM 694 CA HIS A 44 11.902 -11.637 -2.680 1.00 0.00 C ATOM 695 C HIS A 44 12.662 -12.215 -3.875 1.00 0.00 C ATOM 696 O HIS A 44 13.275 -13.276 -3.771 1.00 0.00 O ATOM 697 CB HIS A 44 12.214 -10.159 -2.437 1.00 0.00 C ATOM 698 CG HIS A 44 13.656 -9.885 -2.085 1.00 0.00 C ATOM 699 ND1 HIS A 44 14.213 -10.249 -0.871 1.00 0.00 N ATOM 700 CD2 HIS A 44 14.649 -9.281 -2.799 1.00 0.00 C ATOM 701 CE1 HIS A 44 15.484 -9.875 -0.866 1.00 0.00 C ATOM 702 NE2 HIS A 44 15.752 -9.274 -2.061 1.00 0.00 N ATOM 0 H HIS A 44 12.950 -13.095 -1.599 1.00 0.00 H new ATOM 0 HA HIS A 44 10.838 -11.691 -2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.955 -9.592 -3.331 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.578 -9.792 -1.631 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.554 -8.877 -3.796 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.185 -10.020 -0.057 1.00 0.00 H new ATOM 0 HE2 HIS A 44 16.652 -8.884 -2.341 1.00 0.00 H new ATOM 710 N ASP A 45 12.598 -11.491 -4.983 1.00 0.00 N ATOM 711 CA ASP A 45 13.272 -11.918 -6.197 1.00 0.00 C ATOM 712 C ASP A 45 14.328 -10.880 -6.581 1.00 0.00 C ATOM 713 O ASP A 45 14.526 -9.897 -5.868 1.00 0.00 O ATOM 714 CB ASP A 45 12.287 -12.043 -7.360 1.00 0.00 C ATOM 715 CG ASP A 45 12.355 -13.366 -8.126 1.00 0.00 C ATOM 716 OD1 ASP A 45 11.808 -14.357 -7.597 1.00 0.00 O ATOM 717 OD2 ASP A 45 12.954 -13.355 -9.224 1.00 0.00 O ATOM 0 H ASP A 45 12.089 -10.611 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 45 13.728 -12.889 -6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.275 -11.915 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.468 -11.226 -8.059 1.00 0.00 H new ATOM 722 N LEU A 46 14.978 -11.132 -7.707 1.00 0.00 N ATOM 723 CA LEU A 46 16.009 -10.231 -8.195 1.00 0.00 C ATOM 724 C LEU A 46 15.569 -8.785 -7.958 1.00 0.00 C ATOM 725 O LEU A 46 16.402 -7.908 -7.738 1.00 0.00 O ATOM 726 CB LEU A 46 16.343 -10.541 -9.656 1.00 0.00 C ATOM 727 CG LEU A 46 17.826 -10.747 -9.975 1.00 0.00 C ATOM 728 CD1 LEU A 46 18.002 -11.612 -11.225 1.00 0.00 C ATOM 729 CD2 LEU A 46 18.552 -9.406 -10.098 1.00 0.00 C ATOM 0 H LEU A 46 14.811 -11.948 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 46 16.937 -10.377 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.800 -11.439 -9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.968 -9.726 -10.275 1.00 0.00 H new ATOM 0 HG LEU A 46 18.283 -11.285 -9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.064 -11.743 -11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.541 -12.586 -11.061 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.526 -11.124 -12.075 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.604 -9.581 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.101 -8.820 -10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.470 -8.860 -9.158 1.00 0.00 H new ATOM 741 N GLY A 47 14.261 -8.581 -8.012 1.00 0.00 N ATOM 742 CA GLY A 47 13.701 -7.257 -7.806 1.00 0.00 C ATOM 743 C GLY A 47 12.906 -7.194 -6.501 1.00 0.00 C ATOM 744 O GLY A 47 13.436 -7.494 -5.432 1.00 0.00 O ATOM 0 H GLY A 47 13.573 -9.311 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.503 -6.519 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.053 -6.998 -8.643 1.00 0.00 H new ATOM 748 N ASP A 48 11.646 -6.804 -6.630 1.00 0.00 N ATOM 749 CA ASP A 48 10.773 -6.699 -5.474 1.00 0.00 C ATOM 750 C ASP A 48 11.341 -5.662 -4.503 1.00 0.00 C ATOM 751 O ASP A 48 12.549 -5.616 -4.276 1.00 0.00 O ATOM 752 CB ASP A 48 10.674 -8.034 -4.735 1.00 0.00 C ATOM 753 CG ASP A 48 9.379 -8.813 -4.975 1.00 0.00 C ATOM 754 OD1 ASP A 48 9.073 -9.051 -6.164 1.00 0.00 O ATOM 755 OD2 ASP A 48 8.724 -9.151 -3.966 1.00 0.00 O ATOM 0 H ASP A 48 11.209 -6.557 -7.518 1.00 0.00 H new ATOM 0 HA ASP A 48 9.783 -6.407 -5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.516 -8.659 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.775 -7.848 -3.666 1.00 0.00 H new ATOM 760 N PHE A 49 10.444 -4.855 -3.956 1.00 0.00 N ATOM 761 CA PHE A 49 10.841 -3.822 -3.015 1.00 0.00 C ATOM 762 C PHE A 49 9.863 -3.745 -1.841 1.00 0.00 C ATOM 763 O PHE A 49 8.737 -4.230 -1.933 1.00 0.00 O ATOM 764 CB PHE A 49 10.816 -2.493 -3.773 1.00 0.00 C ATOM 765 CG PHE A 49 9.635 -2.348 -4.734 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.367 -2.275 -4.248 1.00 0.00 C ATOM 767 CD2 PHE A 49 9.853 -2.291 -6.076 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.271 -2.140 -5.141 1.00 0.00 C ATOM 769 CE2 PHE A 49 8.757 -2.156 -6.968 1.00 0.00 C ATOM 770 CZ PHE A 49 7.489 -2.084 -6.482 1.00 0.00 C ATOM 0 H PHE A 49 9.443 -4.896 -4.147 1.00 0.00 H new ATOM 0 HA PHE A 49 11.830 -4.043 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.787 -1.676 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.744 -2.390 -4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.193 -2.320 -3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.860 -2.348 -6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.264 -2.082 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.930 -2.110 -8.033 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.655 -1.982 -7.161 1.00 0.00 H new ATOM 780 N PRO A 50 10.342 -3.115 -0.735 1.00 0.00 N ATOM 781 CA PRO A 50 9.523 -2.968 0.456 1.00 0.00 C ATOM 782 C PRO A 50 8.458 -1.887 0.260 1.00 0.00 C ATOM 783 O PRO A 50 8.770 -0.772 -0.155 1.00 0.00 O ATOM 784 CB PRO A 50 10.504 -2.639 1.570 1.00 0.00 C ATOM 785 CG PRO A 50 11.770 -2.158 0.882 1.00 0.00 C ATOM 786 CD PRO A 50 11.671 -2.528 -0.589 1.00 0.00 C ATOM 0 HA PRO A 50 8.960 -3.871 0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.102 -1.870 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.703 -3.516 2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.881 -1.080 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.648 -2.619 1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.789 -1.652 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.450 -3.236 -0.873 1.00 0.00 H new ATOM 794 N VAL A 51 7.223 -2.255 0.567 1.00 0.00 N ATOM 795 CA VAL A 51 6.110 -1.331 0.429 1.00 0.00 C ATOM 796 C VAL A 51 5.202 -1.447 1.654 1.00 0.00 C ATOM 797 O VAL A 51 4.980 -2.543 2.166 1.00 0.00 O ATOM 798 CB VAL A 51 5.375 -1.591 -0.888 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.295 -1.352 -2.086 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.789 -3.004 -0.919 1.00 0.00 C ATOM 0 H VAL A 51 6.968 -3.181 0.911 1.00 0.00 H new ATOM 0 HA VAL A 51 6.469 -0.303 0.388 1.00 0.00 H new ATOM 0 HB VAL A 51 4.548 -0.884 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.748 -1.544 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.642 -0.319 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.152 -2.023 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.272 -3.163 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.593 -3.733 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.084 -3.124 -0.096 1.00 0.00 H new ATOM 810 N PHE A 52 4.700 -0.301 2.090 1.00 0.00 N ATOM 811 CA PHE A 52 3.821 -0.260 3.245 1.00 0.00 C ATOM 812 C PHE A 52 2.356 -0.148 2.816 1.00 0.00 C ATOM 813 O PHE A 52 1.984 0.783 2.103 1.00 0.00 O ATOM 814 CB PHE A 52 4.200 0.984 4.052 1.00 0.00 C ATOM 815 CG PHE A 52 3.380 1.170 5.331 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.556 0.323 6.380 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.477 2.182 5.418 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.795 0.495 7.567 1.00 0.00 C ATOM 819 CE2 PHE A 52 1.716 2.355 6.605 1.00 0.00 C ATOM 820 CZ PHE A 52 1.892 1.508 7.654 1.00 0.00 C ATOM 0 H PHE A 52 4.886 0.607 1.663 1.00 0.00 H new ATOM 0 HA PHE A 52 3.932 -1.174 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.256 0.926 4.315 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.076 1.865 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.274 -0.480 6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.338 2.855 4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.933 -0.178 8.400 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.998 3.159 6.674 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.314 1.640 8.557 1.00 0.00 H new ATOM 830 N PHE A 53 1.565 -1.109 3.270 1.00 0.00 N ATOM 831 CA PHE A 53 0.150 -1.130 2.942 1.00 0.00 C ATOM 832 C PHE A 53 -0.666 -0.357 3.981 1.00 0.00 C ATOM 833 O PHE A 53 -0.992 -0.890 5.041 1.00 0.00 O ATOM 834 CB PHE A 53 -0.290 -2.595 2.953 1.00 0.00 C ATOM 835 CG PHE A 53 0.162 -3.390 1.727 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.482 -3.445 1.401 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.755 -4.041 0.962 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.902 -4.183 0.263 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.335 -4.778 -0.177 1.00 0.00 C ATOM 840 CZ PHE A 53 0.985 -4.834 -0.502 1.00 0.00 C ATOM 0 H PHE A 53 1.877 -1.879 3.862 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.013 -0.663 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.103 -3.075 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.377 -2.637 3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.210 -2.927 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.803 -3.997 1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.950 -4.227 0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.063 -5.294 -0.785 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.305 -5.395 -1.367 1.00 0.00 H new ATOM 850 N PHE A 54 -0.971 0.887 3.641 1.00 0.00 N ATOM 851 CA PHE A 54 -1.742 1.738 4.531 1.00 0.00 C ATOM 852 C PHE A 54 -2.974 1.003 5.062 1.00 0.00 C ATOM 853 O PHE A 54 -3.358 -0.037 4.530 1.00 0.00 O ATOM 854 CB PHE A 54 -2.198 2.947 3.711 1.00 0.00 C ATOM 855 CG PHE A 54 -1.066 3.653 2.962 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.096 4.307 3.655 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.030 3.627 1.602 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.955 4.962 2.960 1.00 0.00 C ATOM 859 CE2 PHE A 54 0.020 4.282 0.907 1.00 0.00 C ATOM 860 CZ PHE A 54 0.990 4.936 1.600 1.00 0.00 C ATOM 0 H PHE A 54 -0.698 1.326 2.762 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.132 2.032 5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.949 2.622 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.682 3.663 4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.125 4.328 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.801 3.108 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.726 5.480 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.049 4.261 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.788 5.435 1.071 1.00 0.00 H new ATOM 870 N GLY A 55 -3.559 1.573 6.106 1.00 0.00 N ATOM 871 CA GLY A 55 -4.740 0.984 6.715 1.00 0.00 C ATOM 872 C GLY A 55 -4.361 -0.177 7.636 1.00 0.00 C ATOM 873 O GLY A 55 -4.613 -0.127 8.839 1.00 0.00 O ATOM 0 H GLY A 55 -3.237 2.436 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.277 1.743 7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.416 0.630 5.937 1.00 0.00 H new ATOM 877 N SER A 56 -3.761 -1.195 7.037 1.00 0.00 N ATOM 878 CA SER A 56 -3.345 -2.366 7.788 1.00 0.00 C ATOM 879 C SER A 56 -2.023 -2.086 8.505 1.00 0.00 C ATOM 880 O SER A 56 -1.898 -2.331 9.704 1.00 0.00 O ATOM 881 CB SER A 56 -3.205 -3.586 6.875 1.00 0.00 C ATOM 882 OG SER A 56 -2.896 -4.768 7.607 1.00 0.00 O ATOM 0 H SER A 56 -3.553 -1.233 6.039 1.00 0.00 H new ATOM 0 HA SER A 56 -4.113 -2.587 8.529 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.133 -3.734 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.422 -3.400 6.139 1.00 0.00 H new ATOM 0 HG SER A 56 -2.454 -5.413 7.016 1.00 0.00 H new ATOM 888 N HIS A 57 -1.069 -1.575 7.741 1.00 0.00 N ATOM 889 CA HIS A 57 0.239 -1.258 8.288 1.00 0.00 C ATOM 890 C HIS A 57 1.110 -2.517 8.298 1.00 0.00 C ATOM 891 O HIS A 57 1.409 -3.060 9.360 1.00 0.00 O ATOM 892 CB HIS A 57 0.109 -0.616 9.670 1.00 0.00 C ATOM 893 CG HIS A 57 -1.024 0.376 9.783 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.855 0.890 8.832 1.00 0.00 N flip ATOM 895 CD2 HIS A 57 -1.402 0.949 10.984 1.00 0.00 C flip ATOM 896 CE1 HIS A 57 -2.697 1.731 9.421 1.00 0.00 C flip ATOM 897 NE2 HIS A 57 -2.417 1.769 10.755 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.176 -1.373 6.747 1.00 0.00 H new ATOM 0 HA HIS A 57 0.733 -0.521 7.655 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.034 -1.401 10.412 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.044 -0.113 9.915 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.947 0.760 11.945 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.475 2.292 8.925 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.904 2.330 11.454 1.00 0.00 H new ATOM 905 N ASP A 58 1.491 -2.943 7.103 1.00 0.00 N ATOM 906 CA ASP A 58 2.321 -4.127 6.961 1.00 0.00 C ATOM 907 C ASP A 58 3.209 -3.977 5.724 1.00 0.00 C ATOM 908 O ASP A 58 2.760 -3.489 4.688 1.00 0.00 O ATOM 909 CB ASP A 58 1.465 -5.382 6.778 1.00 0.00 C ATOM 910 CG ASP A 58 -0.007 -5.118 6.455 1.00 0.00 C ATOM 911 OD1 ASP A 58 -0.264 -4.114 5.757 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.843 -5.927 6.914 1.00 0.00 O ATOM 0 H ASP A 58 1.240 -2.490 6.224 1.00 0.00 H new ATOM 0 HA ASP A 58 2.921 -4.228 7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.895 -5.984 5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.521 -5.978 7.689 1.00 0.00 H new ATOM 917 N TYR A 59 4.455 -4.404 5.873 1.00 0.00 N ATOM 918 CA TYR A 59 5.410 -4.323 4.781 1.00 0.00 C ATOM 919 C TYR A 59 5.481 -5.647 4.016 1.00 0.00 C ATOM 920 O TYR A 59 5.313 -6.716 4.601 1.00 0.00 O ATOM 921 CB TYR A 59 6.768 -4.048 5.429 1.00 0.00 C ATOM 922 CG TYR A 59 6.809 -2.771 6.271 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.897 -1.540 5.653 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.758 -2.850 7.648 1.00 0.00 C ATOM 925 CE1 TYR A 59 6.935 -0.338 6.445 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.796 -1.648 8.440 1.00 0.00 C ATOM 927 CZ TYR A 59 6.883 -0.452 7.800 1.00 0.00 C ATOM 928 OH TYR A 59 6.920 0.683 8.548 1.00 0.00 O ATOM 0 H TYR A 59 4.825 -4.807 6.734 1.00 0.00 H new ATOM 0 HA TYR A 59 5.120 -3.547 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.036 -4.896 6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.525 -3.980 4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.937 -1.478 4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.690 -3.813 8.131 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.003 0.632 5.974 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.756 -1.696 9.518 1.00 0.00 H new ATOM 0 HH TYR A 59 6.874 0.450 9.499 1.00 0.00 H new ATOM 938 N TYR A 60 5.731 -5.531 2.720 1.00 0.00 N ATOM 939 CA TYR A 60 5.827 -6.705 1.869 1.00 0.00 C ATOM 940 C TYR A 60 6.740 -6.440 0.670 1.00 0.00 C ATOM 941 O TYR A 60 7.046 -5.289 0.361 1.00 0.00 O ATOM 942 CB TYR A 60 4.409 -6.977 1.365 1.00 0.00 C ATOM 943 CG TYR A 60 3.411 -7.326 2.471 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.600 -8.458 3.239 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.323 -6.510 2.701 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.661 -8.786 4.280 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.384 -6.838 3.742 1.00 0.00 C ATOM 948 CZ TYR A 60 1.599 -7.960 4.480 1.00 0.00 C ATOM 949 OH TYR A 60 0.712 -8.270 5.464 1.00 0.00 O ATOM 0 H TYR A 60 5.870 -4.642 2.239 1.00 0.00 H new ATOM 0 HA TYR A 60 6.243 -7.547 2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.050 -6.098 0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.441 -7.796 0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.452 -9.097 3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.175 -5.625 2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.797 -9.668 4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.528 -6.207 3.933 1.00 0.00 H new ATOM 0 HH TYR A 60 1.175 -8.751 6.182 1.00 0.00 H new ATOM 959 N TRP A 61 7.150 -7.524 0.028 1.00 0.00 N ATOM 960 CA TRP A 61 8.021 -7.423 -1.130 1.00 0.00 C ATOM 961 C TRP A 61 7.203 -7.786 -2.371 1.00 0.00 C ATOM 962 O TRP A 61 6.562 -8.834 -2.411 1.00 0.00 O ATOM 963 CB TRP A 61 9.266 -8.296 -0.958 1.00 0.00 C ATOM 964 CG TRP A 61 10.168 -7.872 0.202 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.020 -8.146 1.506 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.372 -7.081 0.110 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.037 -7.592 2.257 1.00 0.00 N ATOM 968 CE2 TRP A 61 11.885 -6.924 1.382 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.007 -6.518 -1.010 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.055 -6.206 1.653 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.176 -5.802 -0.722 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.705 -5.635 0.552 1.00 0.00 C ATOM 0 H TRP A 61 6.895 -8.477 0.288 1.00 0.00 H new ATOM 0 HA TRP A 61 8.393 -6.405 -1.244 1.00 0.00 H new ATOM 0 HB2 TRP A 61 8.954 -9.329 -0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.844 -8.272 -1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.208 -8.727 1.917 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.146 -7.660 3.269 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.624 -6.629 -2.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.436 -6.098 2.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.703 -5.348 -1.548 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.613 -5.068 0.692 1.00 0.00 H new ATOM 983 N VAL A 62 7.252 -6.898 -3.354 1.00 0.00 N ATOM 984 CA VAL A 62 6.524 -7.112 -4.592 1.00 0.00 C ATOM 985 C VAL A 62 7.316 -6.511 -5.755 1.00 0.00 C ATOM 986 O VAL A 62 7.839 -5.404 -5.648 1.00 0.00 O ATOM 987 CB VAL A 62 5.110 -6.540 -4.473 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.268 -7.358 -3.492 1.00 0.00 C ATOM 989 CG2 VAL A 62 5.148 -5.065 -4.066 1.00 0.00 C ATOM 0 H VAL A 62 7.785 -6.029 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 62 6.413 -8.178 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 62 4.639 -6.605 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.268 -6.930 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.200 -8.388 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.736 -7.340 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.130 -4.683 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.647 -4.966 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.694 -4.494 -4.817 1.00 0.00 H new ATOM 999 N HIS A 63 7.379 -7.269 -6.840 1.00 0.00 N ATOM 1000 CA HIS A 63 8.098 -6.825 -8.022 1.00 0.00 C ATOM 1001 C HIS A 63 7.538 -5.481 -8.489 1.00 0.00 C ATOM 1002 O HIS A 63 6.798 -4.825 -7.758 1.00 0.00 O ATOM 1003 CB HIS A 63 8.061 -7.895 -9.115 1.00 0.00 C ATOM 1004 CG HIS A 63 9.401 -8.167 -9.755 1.00 0.00 C ATOM 1005 ND1 HIS A 63 10.313 -9.068 -9.232 1.00 0.00 N ATOM 1006 CD2 HIS A 63 9.974 -7.649 -10.879 1.00 0.00 C ATOM 1007 CE1 HIS A 63 11.382 -9.082 -10.013 1.00 0.00 C ATOM 1008 NE2 HIS A 63 11.170 -8.202 -11.034 1.00 0.00 N ATOM 0 H HIS A 63 6.944 -8.188 -6.925 1.00 0.00 H new ATOM 0 HA HIS A 63 9.150 -6.675 -7.777 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.679 -8.822 -8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.357 -7.586 -9.888 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.529 -6.913 -11.532 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.267 -9.684 -9.867 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.823 -8.002 -11.791 1.00 0.00 H new ATOM 1016 N GLN A 64 7.912 -5.110 -9.705 1.00 0.00 N ATOM 1017 CA GLN A 64 7.456 -3.855 -10.279 1.00 0.00 C ATOM 1018 C GLN A 64 6.499 -4.121 -11.443 1.00 0.00 C ATOM 1019 O GLN A 64 6.349 -5.261 -11.880 1.00 0.00 O ATOM 1020 CB GLN A 64 8.639 -2.995 -10.727 1.00 0.00 C ATOM 1021 CG GLN A 64 9.412 -3.673 -11.860 1.00 0.00 C ATOM 1022 CD GLN A 64 10.129 -2.639 -12.730 1.00 0.00 C ATOM 1023 OE1 GLN A 64 9.668 -1.526 -12.924 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.279 -3.067 -13.243 1.00 0.00 N ATOM 0 H GLN A 64 8.526 -5.657 -10.309 1.00 0.00 H new ATOM 0 HA GLN A 64 6.917 -3.301 -9.511 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.280 -2.021 -11.059 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.305 -2.818 -9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.139 -4.370 -11.443 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.727 -4.257 -12.474 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.608 -4.011 -13.041 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.832 -2.451 -13.839 1.00 0.00 H new ATOM 1033 N GLY A 65 5.876 -3.049 -11.911 1.00 0.00 N ATOM 1034 CA GLY A 65 4.938 -3.152 -13.016 1.00 0.00 C ATOM 1035 C GLY A 65 3.576 -3.656 -12.533 1.00 0.00 C ATOM 1036 O GLY A 65 2.632 -3.749 -13.316 1.00 0.00 O ATOM 0 H GLY A 65 6.002 -2.105 -11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.822 -2.178 -13.491 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.334 -3.830 -13.772 1.00 0.00 H new ATOM 1040 N ARG A 66 3.518 -3.969 -11.247 1.00 0.00 N ATOM 1041 CA ARG A 66 2.288 -4.461 -10.651 1.00 0.00 C ATOM 1042 C ARG A 66 1.601 -3.349 -9.857 1.00 0.00 C ATOM 1043 O ARG A 66 0.437 -3.478 -9.481 1.00 0.00 O ATOM 1044 CB ARG A 66 2.561 -5.647 -9.724 1.00 0.00 C ATOM 1045 CG ARG A 66 2.754 -6.936 -10.525 1.00 0.00 C ATOM 1046 CD ARG A 66 2.130 -8.130 -9.800 1.00 0.00 C ATOM 1047 NE ARG A 66 2.594 -9.394 -10.415 1.00 0.00 N ATOM 1048 CZ ARG A 66 2.325 -10.612 -9.923 1.00 0.00 C ATOM 1049 NH1 ARG A 66 1.595 -10.737 -8.807 1.00 0.00 N ATOM 1050 NH2 ARG A 66 2.788 -11.703 -10.547 1.00 0.00 N ATOM 0 H ARG A 66 4.303 -3.891 -10.601 1.00 0.00 H new ATOM 0 HA ARG A 66 1.636 -4.790 -11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.451 -5.449 -9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.731 -5.768 -9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.301 -6.827 -11.511 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.818 -7.116 -10.681 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.402 -8.108 -8.745 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.043 -8.069 -9.850 1.00 0.00 H new ATOM 0 HE ARG A 66 3.153 -9.335 -11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.244 -9.906 -8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.390 -11.663 -8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.345 -11.607 -11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.584 -12.630 -10.173 1.00 0.00 H new ATOM 1064 N VAL A 67 2.351 -2.282 -9.624 1.00 0.00 N ATOM 1065 CA VAL A 67 1.828 -1.147 -8.881 1.00 0.00 C ATOM 1066 C VAL A 67 1.536 0.000 -9.850 1.00 0.00 C ATOM 1067 O VAL A 67 2.182 0.120 -10.889 1.00 0.00 O ATOM 1068 CB VAL A 67 2.803 -0.757 -7.768 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.421 -1.998 -7.120 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.888 0.184 -8.295 1.00 0.00 C ATOM 0 H VAL A 67 3.317 -2.179 -9.936 1.00 0.00 H new ATOM 0 HA VAL A 67 0.888 -1.408 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 67 2.240 -0.224 -7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.110 -1.692 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.632 -2.616 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.962 -2.571 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.568 0.446 -7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.445 -0.312 -9.090 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.425 1.090 -8.687 1.00 0.00 H new ATOM 1080 N PHE A 68 0.562 0.816 -9.474 1.00 0.00 N ATOM 1081 CA PHE A 68 0.176 1.950 -10.296 1.00 0.00 C ATOM 1082 C PHE A 68 0.483 3.271 -9.588 1.00 0.00 C ATOM 1083 O PHE A 68 0.497 3.332 -8.359 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.334 1.845 -10.522 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.721 1.235 -11.870 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.626 -0.109 -12.060 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.159 2.035 -12.879 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -1.985 -0.676 -13.312 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.518 1.468 -14.130 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.423 0.125 -14.320 1.00 0.00 C ATOM 0 H PHE A 68 0.029 0.714 -8.611 1.00 0.00 H new ATOM 0 HA PHE A 68 0.730 1.935 -11.234 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.769 1.243 -9.724 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.772 2.840 -10.446 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.278 -0.744 -11.259 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.234 3.102 -12.728 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.910 -1.743 -13.463 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.867 2.103 -14.931 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.696 -0.306 -15.272 1.00 0.00 H new ATOM 1100 N PRO A 69 0.729 4.322 -10.414 1.00 0.00 N ATOM 1101 CA PRO A 69 1.036 5.638 -9.880 1.00 0.00 C ATOM 1102 C PRO A 69 -0.223 6.316 -9.336 1.00 0.00 C ATOM 1103 O PRO A 69 -1.210 6.468 -10.053 1.00 0.00 O ATOM 1104 CB PRO A 69 1.665 6.396 -11.038 1.00 0.00 C ATOM 1105 CG PRO A 69 1.266 5.642 -12.295 1.00 0.00 C ATOM 1106 CD PRO A 69 0.722 4.286 -11.874 1.00 0.00 C ATOM 0 HA PRO A 69 1.717 5.598 -9.030 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.309 7.426 -11.070 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.749 6.437 -10.935 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.512 6.199 -12.851 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.124 5.520 -12.956 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.284 4.125 -12.262 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.343 3.475 -12.253 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.147 6.705 -8.071 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.269 7.363 -7.423 1.00 0.00 C ATOM 1116 C TYR A 70 -1.334 8.843 -7.808 1.00 0.00 C ATOM 1117 O TYR A 70 -0.375 9.584 -7.602 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.011 7.251 -5.919 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.099 7.887 -5.052 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -2.156 9.259 -4.911 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.024 7.089 -4.410 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -3.180 9.857 -4.095 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.049 7.687 -3.594 1.00 0.00 C ATOM 1124 CZ TYR A 70 -4.076 9.042 -3.477 1.00 0.00 C ATOM 1125 OH TYR A 70 -5.044 9.607 -2.706 1.00 0.00 O ATOM 0 H TYR A 70 0.673 6.577 -7.478 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.210 6.901 -7.722 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.919 6.198 -5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.055 7.722 -5.689 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.432 9.884 -5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.979 6.016 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.235 10.929 -3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.779 7.074 -3.087 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.613 8.904 -2.328 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.475 9.227 -8.361 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.678 10.605 -8.777 1.00 0.00 C ATOM 1137 C VAL A 71 -3.354 11.381 -7.644 1.00 0.00 C ATOM 1138 O VAL A 71 -4.083 10.802 -6.840 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.470 10.645 -10.085 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.520 12.065 -10.652 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.890 9.665 -11.107 1.00 0.00 C ATOM 0 H VAL A 71 -3.268 8.609 -8.531 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.722 11.089 -8.977 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.492 10.336 -9.868 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.089 12.066 -11.582 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.001 12.728 -9.932 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.506 12.415 -10.847 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.471 9.713 -12.028 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.854 9.930 -11.318 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.931 8.653 -10.705 1.00 0.00 H new ATOM 1151 N GLU A 72 -3.088 12.678 -7.618 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.661 13.539 -6.598 1.00 0.00 C ATOM 1153 C GLU A 72 -4.834 14.336 -7.173 1.00 0.00 C ATOM 1154 O GLU A 72 -4.800 15.566 -7.200 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.601 14.472 -6.008 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.867 14.735 -4.525 1.00 0.00 C ATOM 1157 CD GLU A 72 -3.349 16.170 -4.300 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.576 16.381 -4.414 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -2.480 17.023 -4.020 1.00 0.00 O ATOM 0 H GLU A 72 -2.483 13.154 -8.287 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.035 12.911 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.613 14.029 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.598 15.416 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.616 14.034 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.957 14.559 -3.952 1.00 0.00 H new ATOM 1166 N GLY A 73 -5.843 13.604 -7.620 1.00 0.00 N ATOM 1167 CA GLY A 73 -7.024 14.227 -8.194 1.00 0.00 C ATOM 1168 C GLY A 73 -7.582 13.388 -9.345 1.00 0.00 C ATOM 1169 O GLY A 73 -7.921 12.220 -9.159 1.00 0.00 O ATOM 0 H GLY A 73 -5.868 12.585 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.786 14.348 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.774 15.225 -8.554 1.00 0.00 H new ATOM 1173 N ASP A 74 -7.662 14.016 -10.509 1.00 0.00 N ATOM 1174 CA ASP A 74 -8.174 13.342 -11.690 1.00 0.00 C ATOM 1175 C ASP A 74 -9.683 13.137 -11.541 1.00 0.00 C ATOM 1176 O ASP A 74 -10.467 13.693 -12.308 1.00 0.00 O ATOM 1177 CB ASP A 74 -7.525 11.968 -11.864 1.00 0.00 C ATOM 1178 CG ASP A 74 -7.645 11.369 -13.267 1.00 0.00 C ATOM 1179 OD1 ASP A 74 -8.083 12.117 -14.167 1.00 0.00 O ATOM 1180 OD2 ASP A 74 -7.295 10.178 -13.407 1.00 0.00 O ATOM 0 H ASP A 74 -7.381 14.985 -10.659 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.946 13.961 -12.558 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.468 12.047 -11.608 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.975 11.277 -11.151 1.00 0.00 H new ATOM 1185 N LYS A 75 -10.044 12.337 -10.549 1.00 0.00 N ATOM 1186 CA LYS A 75 -11.444 12.051 -10.289 1.00 0.00 C ATOM 1187 C LYS A 75 -11.565 11.246 -8.994 1.00 0.00 C ATOM 1188 O LYS A 75 -11.919 10.068 -9.022 1.00 0.00 O ATOM 1189 CB LYS A 75 -12.085 11.369 -11.500 1.00 0.00 C ATOM 1190 CG LYS A 75 -13.531 11.831 -11.688 1.00 0.00 C ATOM 1191 CD LYS A 75 -14.132 11.246 -12.968 1.00 0.00 C ATOM 1192 CE LYS A 75 -15.086 10.093 -12.648 1.00 0.00 C ATOM 1193 NZ LYS A 75 -15.408 9.331 -13.876 1.00 0.00 N ATOM 0 H LYS A 75 -9.390 11.877 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.001 12.977 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.508 11.595 -12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.059 10.287 -11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.129 11.526 -10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.566 12.920 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.666 12.025 -13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.334 10.892 -13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.632 9.431 -11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.002 10.483 -12.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.056 8.552 -13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.861 9.962 -14.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.533 8.943 -14.283 1.00 0.00 H new ATOM 1207 N SER A 76 -11.264 11.913 -7.890 1.00 0.00 N ATOM 1208 CA SER A 76 -11.334 11.274 -6.587 1.00 0.00 C ATOM 1209 C SER A 76 -12.650 10.506 -6.451 1.00 0.00 C ATOM 1210 O SER A 76 -13.698 11.101 -6.203 1.00 0.00 O ATOM 1211 CB SER A 76 -11.201 12.302 -5.461 1.00 0.00 C ATOM 1212 OG SER A 76 -11.040 11.682 -4.188 1.00 0.00 O ATOM 0 H SER A 76 -10.971 12.890 -7.871 1.00 0.00 H new ATOM 0 HA SER A 76 -10.502 10.575 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.347 12.949 -5.660 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.086 12.939 -5.445 1.00 0.00 H new ATOM 0 HG SER A 76 -10.957 12.371 -3.496 1.00 0.00 H new ATOM 1218 N PHE A 77 -12.553 9.195 -6.619 1.00 0.00 N ATOM 1219 CA PHE A 77 -13.723 8.339 -6.518 1.00 0.00 C ATOM 1220 C PHE A 77 -13.570 7.333 -5.376 1.00 0.00 C ATOM 1221 O PHE A 77 -13.219 6.177 -5.605 1.00 0.00 O ATOM 1222 CB PHE A 77 -13.836 7.578 -7.841 1.00 0.00 C ATOM 1223 CG PHE A 77 -15.272 7.238 -8.242 1.00 0.00 C ATOM 1224 CD1 PHE A 77 -16.067 8.191 -8.799 1.00 0.00 C ATOM 1225 CD2 PHE A 77 -15.755 5.982 -8.043 1.00 0.00 C ATOM 1226 CE1 PHE A 77 -17.400 7.875 -9.171 1.00 0.00 C ATOM 1227 CE2 PHE A 77 -17.088 5.666 -8.415 1.00 0.00 C ATOM 1228 CZ PHE A 77 -17.883 6.619 -8.972 1.00 0.00 C ATOM 0 H PHE A 77 -11.682 8.705 -6.824 1.00 0.00 H new ATOM 0 HA PHE A 77 -14.609 8.942 -6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -13.380 8.174 -8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -13.262 6.654 -7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -15.684 9.188 -8.958 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -15.124 5.225 -7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -18.031 8.632 -9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -17.471 4.669 -8.256 1.00 0.00 H new ATOM 0 HZ PHE A 77 -18.897 6.379 -9.256 1.00 0.00 H new ATOM 1238 N ALA A 78 -13.841 7.810 -4.170 1.00 0.00 N ATOM 1239 CA ALA A 78 -13.737 6.967 -2.991 1.00 0.00 C ATOM 1240 C ALA A 78 -14.123 7.778 -1.753 1.00 0.00 C ATOM 1241 O ALA A 78 -13.383 7.809 -0.771 1.00 0.00 O ATOM 1242 CB ALA A 78 -12.322 6.394 -2.895 1.00 0.00 C ATOM 0 H ALA A 78 -14.132 8.770 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.425 6.125 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.245 5.762 -2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -12.108 5.801 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -11.603 7.210 -2.822 1.00 0.00 H new ATOM 1248 N GLU A 79 -15.282 8.416 -1.840 1.00 0.00 N ATOM 1249 CA GLU A 79 -15.775 9.225 -0.739 1.00 0.00 C ATOM 1250 C GLU A 79 -17.273 9.488 -0.902 1.00 0.00 C ATOM 1251 O GLU A 79 -17.858 9.150 -1.931 1.00 0.00 O ATOM 1252 CB GLU A 79 -14.997 10.539 -0.633 1.00 0.00 C ATOM 1253 CG GLU A 79 -13.977 10.481 0.506 1.00 0.00 C ATOM 1254 CD GLU A 79 -12.747 11.332 0.184 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -12.913 12.570 0.127 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -11.669 10.727 0.003 1.00 0.00 O ATOM 0 H GLU A 79 -15.893 8.389 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 79 -15.621 8.673 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.485 10.740 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.690 11.363 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.437 10.834 1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.674 9.448 0.676 1.00 0.00 H new ATOM 1263 N GLY A 80 -17.853 10.087 0.127 1.00 0.00 N ATOM 1264 CA GLY A 80 -19.272 10.399 0.111 1.00 0.00 C ATOM 1265 C GLY A 80 -19.997 9.711 1.269 1.00 0.00 C ATOM 1266 O GLY A 80 -21.038 9.087 1.071 1.00 0.00 O ATOM 0 H GLY A 80 -17.365 10.365 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -19.412 11.478 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -19.707 10.081 -0.836 1.00 0.00 H new ATOM 1270 N GLN A 81 -19.419 9.850 2.453 1.00 0.00 N ATOM 1271 CA GLN A 81 -19.998 9.250 3.643 1.00 0.00 C ATOM 1272 C GLN A 81 -19.152 9.588 4.873 1.00 0.00 C ATOM 1273 O GLN A 81 -18.191 8.886 5.181 1.00 0.00 O ATOM 1274 CB GLN A 81 -20.145 7.736 3.478 1.00 0.00 C ATOM 1275 CG GLN A 81 -21.391 7.224 4.203 1.00 0.00 C ATOM 1276 CD GLN A 81 -22.553 7.030 3.226 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -22.372 6.866 2.031 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -23.752 7.057 3.800 1.00 0.00 N ATOM 0 H GLN A 81 -18.556 10.369 2.614 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.996 9.665 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.208 7.486 2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.260 7.236 3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -21.166 6.279 4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -21.680 7.931 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.832 7.199 4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.592 6.936 3.233 1.00 0.00 H new ATOM 1287 N THR A 82 -19.542 10.664 5.541 1.00 0.00 N ATOM 1288 CA THR A 82 -18.831 11.103 6.730 1.00 0.00 C ATOM 1289 C THR A 82 -19.505 10.552 7.988 1.00 0.00 C ATOM 1290 O THR A 82 -20.044 11.312 8.792 1.00 0.00 O ATOM 1291 CB THR A 82 -18.759 12.631 6.699 1.00 0.00 C ATOM 1292 OG1 THR A 82 -18.097 12.972 7.915 1.00 0.00 O ATOM 1293 CG2 THR A 82 -20.136 13.286 6.829 1.00 0.00 C ATOM 0 H THR A 82 -20.340 11.244 5.282 1.00 0.00 H new ATOM 0 HA THR A 82 -17.813 10.715 6.749 1.00 0.00 H new ATOM 0 HB THR A 82 -18.291 12.953 5.769 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.007 13.946 7.976 1.00 0.00 H new ATOM 0 HG21 THR A 82 -20.027 14.370 6.801 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.772 12.964 6.004 1.00 0.00 H new ATOM 0 HG23 THR A 82 -20.591 12.991 7.774 1.00 0.00 H new ATOM 1301 N SER A 83 -19.453 9.235 8.120 1.00 0.00 N ATOM 1302 CA SER A 83 -20.052 8.573 9.266 1.00 0.00 C ATOM 1303 C SER A 83 -19.872 7.058 9.149 1.00 0.00 C ATOM 1304 O SER A 83 -20.786 6.295 9.458 1.00 0.00 O ATOM 1305 CB SER A 83 -21.536 8.923 9.392 1.00 0.00 C ATOM 1306 OG SER A 83 -21.886 9.292 10.723 1.00 0.00 O ATOM 0 H SER A 83 -19.005 8.608 7.452 1.00 0.00 H new ATOM 0 HA SER A 83 -19.546 8.924 10.166 1.00 0.00 H new ATOM 0 HB2 SER A 83 -21.774 9.743 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.138 8.068 9.083 1.00 0.00 H new ATOM 0 HG SER A 83 -22.841 9.510 10.762 1.00 0.00 H new ATOM 1312 N ILE A 84 -18.687 6.668 8.702 1.00 0.00 N ATOM 1313 CA ILE A 84 -18.376 5.258 8.540 1.00 0.00 C ATOM 1314 C ILE A 84 -17.208 4.889 9.457 1.00 0.00 C ATOM 1315 O ILE A 84 -16.774 5.701 10.272 1.00 0.00 O ATOM 1316 CB ILE A 84 -18.128 4.930 7.066 1.00 0.00 C ATOM 1317 CG1 ILE A 84 -16.895 5.667 6.541 1.00 0.00 C ATOM 1318 CG2 ILE A 84 -19.371 5.219 6.223 1.00 0.00 C ATOM 1319 CD1 ILE A 84 -15.773 4.685 6.199 1.00 0.00 C ATOM 0 H ILE A 84 -17.931 7.304 8.447 1.00 0.00 H new ATOM 0 HA ILE A 84 -19.225 4.644 8.841 1.00 0.00 H new ATOM 0 HB ILE A 84 -17.925 3.862 6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -17.161 6.243 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -16.545 6.378 7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.167 4.977 5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -20.202 4.612 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.630 6.274 6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.908 5.235 5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -15.492 4.128 7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -16.118 3.991 5.432 1.00 0.00 H new ATOM 1331 N ASN A 85 -16.733 3.663 9.293 1.00 0.00 N ATOM 1332 CA ASN A 85 -15.624 3.177 10.096 1.00 0.00 C ATOM 1333 C ASN A 85 -15.111 1.862 9.506 1.00 0.00 C ATOM 1334 O ASN A 85 -15.597 0.788 9.858 1.00 0.00 O ATOM 1335 CB ASN A 85 -16.064 2.908 11.537 1.00 0.00 C ATOM 1336 CG ASN A 85 -15.425 3.910 12.501 1.00 0.00 C ATOM 1337 OD1 ASN A 85 -14.216 4.067 12.563 1.00 0.00 O ATOM 1338 ND2 ASN A 85 -16.300 4.577 13.247 1.00 0.00 N ATOM 0 H ASN A 85 -17.096 2.992 8.616 1.00 0.00 H new ATOM 0 HA ASN A 85 -14.845 3.940 10.093 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.150 2.972 11.607 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.785 1.894 11.823 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -15.973 5.269 13.921 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.299 4.397 13.145 1.00 0.00 H new ATOM 1345 N LYS A 86 -14.135 1.990 8.619 1.00 0.00 N ATOM 1346 CA LYS A 86 -13.551 0.825 7.977 1.00 0.00 C ATOM 1347 C LYS A 86 -12.028 0.971 7.953 1.00 0.00 C ATOM 1348 O LYS A 86 -11.480 1.891 8.558 1.00 0.00 O ATOM 1349 CB LYS A 86 -14.169 0.608 6.594 1.00 0.00 C ATOM 1350 CG LYS A 86 -15.481 -0.173 6.697 1.00 0.00 C ATOM 1351 CD LYS A 86 -15.673 -1.085 5.483 1.00 0.00 C ATOM 1352 CE LYS A 86 -16.619 -2.242 5.811 1.00 0.00 C ATOM 1353 NZ LYS A 86 -17.133 -2.858 4.567 1.00 0.00 N ATOM 0 H LYS A 86 -13.734 2.882 8.330 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.777 -0.076 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.351 1.571 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.468 0.066 5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.482 -0.770 7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.317 0.522 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.074 -0.508 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.708 -1.479 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.095 -2.991 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.451 -1.880 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.774 -3.642 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.650 -2.145 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.337 -3.221 4.005 1.00 0.00 H new ATOM 1367 N THR A 87 -11.388 0.051 7.247 1.00 0.00 N ATOM 1368 CA THR A 87 -9.939 0.066 7.136 1.00 0.00 C ATOM 1369 C THR A 87 -9.510 0.790 5.858 1.00 0.00 C ATOM 1370 O THR A 87 -8.593 1.610 5.884 1.00 0.00 O ATOM 1371 CB THR A 87 -9.444 -1.379 7.211 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.472 -1.685 8.602 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.968 -1.513 6.830 1.00 0.00 C ATOM 0 H THR A 87 -11.846 -0.710 6.746 1.00 0.00 H new ATOM 0 HA THR A 87 -9.485 0.623 7.956 1.00 0.00 H new ATOM 0 HB THR A 87 -10.047 -2.003 6.552 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.167 -2.606 8.741 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.668 -2.558 6.900 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.822 -1.161 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.361 -0.915 7.510 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.192 0.461 4.772 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.893 1.070 3.487 1.00 0.00 C ATOM 1383 C PHE A 88 -9.636 2.571 3.638 1.00 0.00 C ATOM 1384 O PHE A 88 -8.568 3.061 3.275 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.119 0.861 2.596 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.922 1.316 1.149 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.905 0.803 0.407 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.765 2.235 0.604 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.722 1.225 -0.936 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.582 2.657 -0.739 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.564 2.143 -1.481 1.00 0.00 C ATOM 0 H PHE A 88 -10.951 -0.220 4.755 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.998 0.617 3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.383 -0.197 2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.963 1.402 3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.236 0.074 0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.573 2.643 1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.914 0.817 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.251 3.386 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.425 2.464 -2.503 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.634 3.258 4.173 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.530 4.693 4.376 1.00 0.00 C ATOM 1403 C LYS A 89 -9.214 5.009 5.089 1.00 0.00 C ATOM 1404 O LYS A 89 -8.441 5.849 4.630 1.00 0.00 O ATOM 1405 CB LYS A 89 -11.767 5.223 5.105 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.498 6.266 4.258 1.00 0.00 C ATOM 1407 CD LYS A 89 -11.852 7.644 4.408 1.00 0.00 C ATOM 1408 CE LYS A 89 -12.430 8.633 3.393 1.00 0.00 C ATOM 1409 NZ LYS A 89 -12.895 9.862 4.074 1.00 0.00 N ATOM 0 H LYS A 89 -11.519 2.848 4.472 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.507 5.212 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.441 4.397 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.471 5.665 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.482 5.965 3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.544 6.316 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.015 8.018 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.774 7.562 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.673 8.886 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.259 8.171 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.284 10.522 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.633 9.618 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.095 10.311 4.565 1.00 0.00 H new ATOM 1423 N LYS A 90 -8.999 4.319 6.200 1.00 0.00 N ATOM 1424 CA LYS A 90 -7.790 4.515 6.981 1.00 0.00 C ATOM 1425 C LYS A 90 -6.576 4.491 6.049 1.00 0.00 C ATOM 1426 O LYS A 90 -5.602 5.208 6.274 1.00 0.00 O ATOM 1427 CB LYS A 90 -7.713 3.492 8.116 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.736 4.184 9.480 1.00 0.00 C ATOM 1429 CD LYS A 90 -8.587 3.397 10.479 1.00 0.00 C ATOM 1430 CE LYS A 90 -7.818 3.148 11.778 1.00 0.00 C ATOM 1431 NZ LYS A 90 -8.660 3.477 12.950 1.00 0.00 N ATOM 0 H LYS A 90 -9.642 3.623 6.578 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.803 5.492 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.550 2.798 8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.801 2.903 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.719 4.281 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.134 5.193 9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.503 3.947 10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.883 2.445 10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.506 2.105 11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.912 3.753 11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.123 3.302 13.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.937 4.479 12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.513 2.882 12.943 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.675 3.660 5.021 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.598 3.534 4.054 1.00 0.00 C ATOM 1447 C ALA A 91 -5.621 4.739 3.112 1.00 0.00 C ATOM 1448 O ALA A 91 -4.602 5.402 2.921 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.736 2.206 3.307 1.00 0.00 C ATOM 0 H ALA A 91 -7.485 3.068 4.837 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.630 3.527 4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.928 2.111 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.684 1.381 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.694 2.178 2.789 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.794 4.987 2.548 1.00 0.00 N ATOM 1456 CA LEU A 92 -6.962 6.101 1.630 1.00 0.00 C ATOM 1457 C LEU A 92 -6.385 7.369 2.263 1.00 0.00 C ATOM 1458 O LEU A 92 -5.644 8.107 1.616 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.429 6.234 1.213 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.031 5.030 0.486 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.557 5.126 0.437 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.422 4.872 -0.909 1.00 0.00 C ATOM 0 H LEU A 92 -7.637 4.436 2.709 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.407 5.923 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.024 6.429 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.525 7.108 0.569 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.783 4.131 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.960 4.258 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.953 5.155 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.848 6.034 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.867 4.009 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.619 5.769 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.345 4.725 -0.822 1.00 0.00 H new ATOM 1474 N GLU A 93 -6.747 7.582 3.519 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.274 8.748 4.246 1.00 0.00 C ATOM 1476 C GLU A 93 -4.753 8.695 4.403 1.00 0.00 C ATOM 1477 O GLU A 93 -4.041 9.550 3.879 1.00 0.00 O ATOM 1478 CB GLU A 93 -6.963 8.862 5.608 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.457 9.145 5.445 1.00 0.00 C ATOM 1480 CD GLU A 93 -8.964 10.071 6.552 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -8.425 11.195 6.643 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.878 9.633 7.284 1.00 0.00 O ATOM 0 H GLU A 93 -7.362 6.967 4.052 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.529 9.638 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.823 7.938 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.499 9.660 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.640 9.601 4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.013 8.208 5.467 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.300 7.682 5.127 1.00 0.00 N ATOM 1490 CA GLU A 94 -2.877 7.507 5.360 1.00 0.00 C ATOM 1491 C GLU A 94 -2.103 7.643 4.047 1.00 0.00 C ATOM 1492 O GLU A 94 -1.175 8.444 3.950 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.593 6.159 6.026 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.529 6.302 7.548 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.221 5.730 8.099 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.889 4.591 7.705 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.583 6.445 8.901 1.00 0.00 O ATOM 0 H GLU A 94 -4.893 6.974 5.560 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.541 8.290 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.371 5.445 5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.650 5.757 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.614 7.354 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.375 5.785 8.001 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.515 6.849 3.070 1.00 0.00 N ATOM 1505 CA ALA A 95 -1.872 6.872 1.767 1.00 0.00 C ATOM 1506 C ALA A 95 -1.807 8.314 1.260 1.00 0.00 C ATOM 1507 O ALA A 95 -0.795 8.734 0.701 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.630 5.951 0.808 1.00 0.00 C ATOM 0 H ALA A 95 -3.286 6.186 3.154 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.850 6.501 1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.148 5.968 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.623 4.933 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.660 6.295 0.711 1.00 0.00 H new ATOM 1514 N ALA A 96 -2.899 9.033 1.474 1.00 0.00 N ATOM 1515 CA ALA A 96 -2.978 10.419 1.046 1.00 0.00 C ATOM 1516 C ALA A 96 -1.922 11.239 1.789 1.00 0.00 C ATOM 1517 O ALA A 96 -1.061 11.859 1.167 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.396 10.946 1.279 1.00 0.00 C ATOM 0 H ALA A 96 -3.736 8.682 1.938 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.770 10.503 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.455 11.986 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.105 10.348 0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.639 10.879 2.339 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.023 11.217 3.110 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.088 11.950 3.945 1.00 0.00 C ATOM 1526 C LYS A 97 0.317 11.840 3.348 1.00 0.00 C ATOM 1527 O LYS A 97 0.884 12.834 2.898 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.178 11.475 5.397 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.368 12.657 6.350 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.732 12.591 7.039 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.782 13.529 8.247 1.00 0.00 C ATOM 1532 NZ LYS A 97 -3.478 12.879 9.380 1.00 0.00 N ATOM 0 H LYS A 97 -2.739 10.702 3.623 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.345 13.009 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.010 10.779 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.271 10.931 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.577 12.655 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.281 13.592 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.515 12.862 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.933 11.569 7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.770 13.804 8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.296 14.451 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.503 13.529 10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.450 12.639 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.971 12.011 9.647 1.00 0.00 H new ATOM 1546 N ARG A 98 0.838 10.621 3.364 1.00 0.00 N ATOM 1547 CA ARG A 98 2.165 10.368 2.830 1.00 0.00 C ATOM 1548 C ARG A 98 2.403 11.213 1.577 1.00 0.00 C ATOM 1549 O ARG A 98 3.299 12.056 1.553 1.00 0.00 O ATOM 1550 CB ARG A 98 2.345 8.889 2.482 1.00 0.00 C ATOM 1551 CG ARG A 98 2.781 8.086 3.709 1.00 0.00 C ATOM 1552 CD ARG A 98 4.044 8.682 4.335 1.00 0.00 C ATOM 1553 NE ARG A 98 4.788 7.635 5.069 1.00 0.00 N ATOM 1554 CZ ARG A 98 5.899 7.863 5.783 1.00 0.00 C ATOM 1555 NH1 ARG A 98 6.401 9.103 5.863 1.00 0.00 N ATOM 1556 NH2 ARG A 98 6.508 6.852 6.417 1.00 0.00 N ATOM 0 H ARG A 98 0.365 9.799 3.738 1.00 0.00 H new ATOM 0 HA ARG A 98 2.889 10.640 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.409 8.487 2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.089 8.786 1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.977 8.074 4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.966 7.051 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.676 9.112 3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.776 9.492 5.013 1.00 0.00 H new ATOM 0 HE ARG A 98 4.433 6.680 5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.938 9.873 5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.247 9.277 6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.126 5.908 6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.354 7.026 6.960 1.00 0.00 H new ATOM 1570 N PHE A 99 1.586 10.957 0.566 1.00 0.00 N ATOM 1571 CA PHE A 99 1.697 11.683 -0.687 1.00 0.00 C ATOM 1572 C PHE A 99 1.916 13.177 -0.438 1.00 0.00 C ATOM 1573 O PHE A 99 2.760 13.800 -1.081 1.00 0.00 O ATOM 1574 CB PHE A 99 0.375 11.492 -1.434 1.00 0.00 C ATOM 1575 CG PHE A 99 0.414 11.943 -2.895 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.794 11.070 -3.866 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.070 13.217 -3.223 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.830 11.489 -5.223 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.106 13.636 -4.579 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.485 12.763 -5.551 1.00 0.00 C ATOM 0 H PHE A 99 0.845 10.257 0.589 1.00 0.00 H new ATOM 0 HA PHE A 99 2.546 11.309 -1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.098 10.438 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.407 12.046 -0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.068 10.058 -3.606 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.231 13.910 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.131 10.796 -5.994 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.168 14.648 -4.839 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.512 13.081 -6.583 1.00 0.00 H new ATOM 1590 N GLN A 100 1.142 13.708 0.496 1.00 0.00 N ATOM 1591 CA GLN A 100 1.241 15.117 0.839 1.00 0.00 C ATOM 1592 C GLN A 100 2.547 15.391 1.587 1.00 0.00 C ATOM 1593 O GLN A 100 3.123 16.470 1.462 1.00 0.00 O ATOM 1594 CB GLN A 100 0.032 15.568 1.662 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.272 15.055 1.047 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.133 16.214 0.542 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.650 17.290 0.230 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.432 15.935 0.479 1.00 0.00 N ATOM 0 H GLN A 100 0.443 13.188 1.027 1.00 0.00 H new ATOM 0 HA GLN A 100 1.246 15.696 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.126 15.200 2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.010 16.656 1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.048 14.378 0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.827 14.481 1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.770 15.013 0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.090 16.643 0.154 1.00 0.00 H new ATOM 1607 N GLU A 101 2.976 14.395 2.348 1.00 0.00 N ATOM 1608 CA GLU A 101 4.203 14.515 3.116 1.00 0.00 C ATOM 1609 C GLU A 101 5.419 14.438 2.190 1.00 0.00 C ATOM 1610 O GLU A 101 6.270 15.326 2.203 1.00 0.00 O ATOM 1611 CB GLU A 101 4.275 13.443 4.206 1.00 0.00 C ATOM 1612 CG GLU A 101 2.914 13.253 4.879 1.00 0.00 C ATOM 1613 CD GLU A 101 3.076 12.990 6.378 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.551 11.882 6.711 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.721 13.901 7.156 1.00 0.00 O ATOM 0 H GLU A 101 2.495 13.501 2.449 1.00 0.00 H new ATOM 0 HA GLU A 101 4.207 15.488 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.605 12.499 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.017 13.727 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.301 14.141 4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.388 12.419 4.415 1.00 0.00 H new ATOM 1622 N LEU A 102 5.461 13.369 1.409 1.00 0.00 N ATOM 1623 CA LEU A 102 6.558 13.165 0.479 1.00 0.00 C ATOM 1624 C LEU A 102 6.899 14.493 -0.200 1.00 0.00 C ATOM 1625 O LEU A 102 7.985 15.035 0.000 1.00 0.00 O ATOM 1626 CB LEU A 102 6.225 12.040 -0.503 1.00 0.00 C ATOM 1627 CG LEU A 102 6.714 10.643 -0.114 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.200 10.248 1.271 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.337 9.613 -1.181 1.00 0.00 C ATOM 0 H LEU A 102 4.753 12.635 1.401 1.00 0.00 H new ATOM 0 HA LEU A 102 7.452 12.839 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.143 12.003 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.650 12.295 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 102 7.802 10.665 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.562 9.251 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.561 10.963 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.110 10.248 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.696 8.629 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.253 9.585 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.793 9.890 -2.132 1.00 0.00 H new ATOM 1641 N LYS A 103 5.952 14.978 -0.989 1.00 0.00 N ATOM 1642 CA LYS A 103 6.138 16.232 -1.699 1.00 0.00 C ATOM 1643 C LYS A 103 6.580 17.312 -0.709 1.00 0.00 C ATOM 1644 O LYS A 103 7.417 18.153 -1.035 1.00 0.00 O ATOM 1645 CB LYS A 103 4.877 16.596 -2.484 1.00 0.00 C ATOM 1646 CG LYS A 103 3.658 16.666 -1.562 1.00 0.00 C ATOM 1647 CD LYS A 103 2.361 16.473 -2.352 1.00 0.00 C ATOM 1648 CE LYS A 103 1.433 17.677 -2.182 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.011 18.874 -2.833 1.00 0.00 N ATOM 0 H LYS A 103 5.053 14.525 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 103 6.930 16.136 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.018 17.556 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.704 15.856 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.736 15.899 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.638 17.629 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.591 16.333 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.855 15.569 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.458 17.456 -2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.274 17.874 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.295 19.627 -2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.832 19.204 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.313 18.632 -3.799 1.00 0.00 H new ATOM 1663 N ALA A 104 5.997 17.254 0.480 1.00 0.00 N ATOM 1664 CA ALA A 104 6.320 18.217 1.519 1.00 0.00 C ATOM 1665 C ALA A 104 7.839 18.376 1.607 1.00 0.00 C ATOM 1666 O ALA A 104 8.378 19.424 1.255 1.00 0.00 O ATOM 1667 CB ALA A 104 5.704 17.764 2.844 1.00 0.00 C ATOM 0 H ALA A 104 5.303 16.555 0.746 1.00 0.00 H new ATOM 0 HA ALA A 104 5.900 19.194 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.946 18.486 3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.621 17.695 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.105 16.788 3.117 1.00 0.00 H new ATOM 1673 N SER A 105 8.486 17.320 2.078 1.00 0.00 N ATOM 1674 CA SER A 105 9.933 17.330 2.216 1.00 0.00 C ATOM 1675 C SER A 105 10.569 16.479 1.116 1.00 0.00 C ATOM 1676 O SER A 105 10.418 15.258 1.104 1.00 0.00 O ATOM 1677 CB SER A 105 10.358 16.820 3.594 1.00 0.00 C ATOM 1678 OG SER A 105 11.197 17.750 4.273 1.00 0.00 O ATOM 0 H SER A 105 8.035 16.452 2.369 1.00 0.00 H new ATOM 0 HA SER A 105 10.279 18.359 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.471 16.624 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.884 15.872 3.483 1.00 0.00 H new ATOM 0 HG SER A 105 11.445 17.388 5.149 1.00 0.00 H new ATOM 1684 N GLY A 106 11.269 17.156 0.217 1.00 0.00 N ATOM 1685 CA GLY A 106 11.929 16.478 -0.885 1.00 0.00 C ATOM 1686 C GLY A 106 11.836 17.302 -2.171 1.00 0.00 C ATOM 1687 O GLY A 106 11.370 18.439 -2.151 1.00 0.00 O ATOM 0 H GLY A 106 11.393 18.168 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.976 16.304 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.472 15.501 -1.041 1.00 0.00 H new ATOM 1691 N PRO A 107 12.300 16.679 -3.287 1.00 0.00 N ATOM 1692 CA PRO A 107 12.275 17.342 -4.580 1.00 0.00 C ATOM 1693 C PRO A 107 10.855 17.379 -5.149 1.00 0.00 C ATOM 1694 O PRO A 107 10.087 16.434 -4.974 1.00 0.00 O ATOM 1695 CB PRO A 107 13.242 16.552 -5.447 1.00 0.00 C ATOM 1696 CG PRO A 107 13.418 15.209 -4.757 1.00 0.00 C ATOM 1697 CD PRO A 107 12.860 15.331 -3.348 1.00 0.00 C ATOM 0 HA PRO A 107 12.577 18.388 -4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.848 16.424 -6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 107 14.196 17.071 -5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.896 14.426 -5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 107 14.471 14.930 -4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 107 12.097 14.576 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 107 13.640 15.192 -2.600 1.00 0.00 H new ATOM 1705 N SER A 108 10.549 18.481 -5.818 1.00 0.00 N ATOM 1706 CA SER A 108 9.235 18.654 -6.414 1.00 0.00 C ATOM 1707 C SER A 108 9.187 17.973 -7.783 1.00 0.00 C ATOM 1708 O SER A 108 8.350 17.103 -8.019 1.00 0.00 O ATOM 1709 CB SER A 108 8.880 20.136 -6.545 1.00 0.00 C ATOM 1710 OG SER A 108 7.693 20.336 -7.307 1.00 0.00 O ATOM 0 H SER A 108 11.188 19.263 -5.961 1.00 0.00 H new ATOM 0 HA SER A 108 8.499 18.189 -5.759 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.750 20.567 -5.552 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.707 20.666 -7.017 1.00 0.00 H new ATOM 0 HG SER A 108 7.500 21.295 -7.366 1.00 0.00 H new ATOM 1716 N SER A 109 10.097 18.394 -8.650 1.00 0.00 N ATOM 1717 CA SER A 109 10.169 17.836 -9.989 1.00 0.00 C ATOM 1718 C SER A 109 11.629 17.745 -10.440 1.00 0.00 C ATOM 1719 O SER A 109 12.301 18.765 -10.589 1.00 0.00 O ATOM 1720 CB SER A 109 9.359 18.675 -10.980 1.00 0.00 C ATOM 1721 OG SER A 109 9.889 19.990 -11.125 1.00 0.00 O ATOM 0 H SER A 109 10.790 19.115 -8.451 1.00 0.00 H new ATOM 0 HA SER A 109 9.739 16.835 -9.966 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.349 18.179 -11.951 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.324 18.736 -10.642 1.00 0.00 H new ATOM 0 HG SER A 109 10.857 19.972 -10.970 1.00 0.00 H new ATOM 1727 N GLY A 110 12.076 16.515 -10.645 1.00 0.00 N ATOM 1728 CA GLY A 110 13.443 16.278 -11.076 1.00 0.00 C ATOM 1729 C GLY A 110 13.505 16.014 -12.582 1.00 0.00 C ATOM 1730 O GLY A 110 12.891 15.069 -13.076 1.00 0.00 O ATOM 0 H GLY A 110 11.516 15.672 -10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 110 14.061 17.141 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.856 15.426 -10.536 1.00 0.00 H new TER 1734 GLY A 110