USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 563 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 LYS NZ :NH3+ 145:sc= 0.0677 (180deg=0) USER MOD Set 2.1: A 9 CYS SG : rot 180:sc= 0.721 USER MOD Set 2.2: A 11 THR OG1 : rot -75:sc= 0.85 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0732 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 0.203 USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.498) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.97 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.43 K(o=-1.4,f=-4.1!) USER MOD Single : A 31 ASN : amide:sc= -7.38! C(o=-7.4!,f=-9.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 100:sc= 1.11 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 140:sc= 0.125 USER MOD Single : A 48 ASN : amide:sc= -2.34 K(o=-2.3,f=-0.29) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -4.24! C(o=-4.2!,f=-4.5!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00569 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.408 -19.751 -19.040 1.00 0.00 N ATOM 2 CA GLY A 1 -6.989 -18.423 -18.978 1.00 0.00 C ATOM 3 C GLY A 1 -6.393 -17.580 -17.868 1.00 0.00 C ATOM 4 O GLY A 1 -5.376 -17.946 -17.279 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.147 -19.970 -20.023 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.559 -19.787 -18.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.101 -20.449 -18.702 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.839 -17.919 -19.933 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.065 -18.507 -18.828 1.00 0.00 H new ATOM 8 N SER A 2 -7.026 -16.447 -17.583 1.00 0.00 N ATOM 9 CA SER A 2 -6.549 -15.546 -16.539 1.00 0.00 C ATOM 10 C SER A 2 -7.614 -15.348 -15.464 1.00 0.00 C ATOM 11 O SER A 2 -8.791 -15.159 -15.768 1.00 0.00 O ATOM 12 CB SER A 2 -6.159 -14.195 -17.142 1.00 0.00 C ATOM 13 OG SER A 2 -7.285 -13.540 -17.698 1.00 0.00 O ATOM 0 H SER A 2 -7.870 -16.130 -18.060 1.00 0.00 H new ATOM 0 HA SER A 2 -5.671 -15.997 -16.077 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.712 -13.566 -16.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.403 -14.342 -17.913 1.00 0.00 H new ATOM 0 HG SER A 2 -7.009 -12.679 -18.075 1.00 0.00 H new ATOM 19 N SER A 3 -7.190 -15.393 -14.205 1.00 0.00 N ATOM 20 CA SER A 3 -8.106 -15.223 -13.084 1.00 0.00 C ATOM 21 C SER A 3 -8.447 -13.750 -12.880 1.00 0.00 C ATOM 22 O SER A 3 -7.560 -12.900 -12.809 1.00 0.00 O ATOM 23 CB SER A 3 -7.493 -15.798 -11.805 1.00 0.00 C ATOM 24 OG SER A 3 -7.381 -17.208 -11.883 1.00 0.00 O ATOM 0 H SER A 3 -6.218 -15.546 -13.936 1.00 0.00 H new ATOM 0 HA SER A 3 -9.025 -15.763 -13.313 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.508 -15.360 -11.641 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.109 -15.526 -10.948 1.00 0.00 H new ATOM 0 HG SER A 3 -6.985 -17.551 -11.055 1.00 0.00 H new ATOM 30 N GLY A 4 -9.740 -13.455 -12.787 1.00 0.00 N ATOM 31 CA GLY A 4 -10.177 -12.085 -12.593 1.00 0.00 C ATOM 32 C GLY A 4 -10.929 -11.896 -11.290 1.00 0.00 C ATOM 33 O GLY A 4 -10.367 -11.421 -10.304 1.00 0.00 O ATOM 0 H GLY A 4 -10.493 -14.141 -12.843 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.310 -11.425 -12.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.817 -11.790 -13.425 1.00 0.00 H new ATOM 37 N SER A 5 -12.206 -12.267 -11.287 1.00 0.00 N ATOM 38 CA SER A 5 -13.038 -12.130 -10.097 1.00 0.00 C ATOM 39 C SER A 5 -13.597 -13.483 -9.667 1.00 0.00 C ATOM 40 O SER A 5 -13.908 -14.332 -10.501 1.00 0.00 O ATOM 41 CB SER A 5 -14.185 -11.152 -10.361 1.00 0.00 C ATOM 42 OG SER A 5 -13.693 -9.860 -10.672 1.00 0.00 O ATOM 0 H SER A 5 -12.686 -12.664 -12.094 1.00 0.00 H new ATOM 0 HA SER A 5 -12.416 -11.740 -9.291 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.798 -11.519 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.830 -11.098 -9.484 1.00 0.00 H new ATOM 0 HG SER A 5 -14.446 -9.255 -10.838 1.00 0.00 H new ATOM 48 N SER A 6 -13.720 -13.675 -8.357 1.00 0.00 N ATOM 49 CA SER A 6 -14.238 -14.925 -7.814 1.00 0.00 C ATOM 50 C SER A 6 -14.957 -14.686 -6.490 1.00 0.00 C ATOM 51 O SER A 6 -14.413 -14.065 -5.578 1.00 0.00 O ATOM 52 CB SER A 6 -13.100 -15.929 -7.615 1.00 0.00 C ATOM 53 OG SER A 6 -12.835 -16.644 -8.809 1.00 0.00 O ATOM 0 H SER A 6 -13.468 -12.981 -7.653 1.00 0.00 H new ATOM 0 HA SER A 6 -14.954 -15.333 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.200 -15.404 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.362 -16.627 -6.820 1.00 0.00 H new ATOM 0 HG SER A 6 -13.147 -16.123 -9.578 1.00 0.00 H new ATOM 59 N GLY A 7 -16.186 -15.184 -6.393 1.00 0.00 N ATOM 60 CA GLY A 7 -16.962 -15.014 -5.178 1.00 0.00 C ATOM 61 C GLY A 7 -18.390 -15.500 -5.329 1.00 0.00 C ATOM 62 O GLY A 7 -18.902 -16.223 -4.475 1.00 0.00 O ATOM 0 H GLY A 7 -16.658 -15.702 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.481 -15.557 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.968 -13.960 -4.899 1.00 0.00 H new ATOM 66 N LYS A 8 -19.037 -15.100 -6.419 1.00 0.00 N ATOM 67 CA LYS A 8 -20.415 -15.498 -6.680 1.00 0.00 C ATOM 68 C LYS A 8 -21.353 -14.941 -5.615 1.00 0.00 C ATOM 69 O LYS A 8 -22.277 -15.623 -5.170 1.00 0.00 O ATOM 70 CB LYS A 8 -20.527 -17.024 -6.726 1.00 0.00 C ATOM 71 CG LYS A 8 -20.357 -17.605 -8.119 1.00 0.00 C ATOM 72 CD LYS A 8 -18.934 -17.437 -8.624 1.00 0.00 C ATOM 73 CE LYS A 8 -18.762 -16.132 -9.384 1.00 0.00 C ATOM 74 NZ LYS A 8 -17.361 -15.943 -9.853 1.00 0.00 N ATOM 0 H LYS A 8 -18.629 -14.500 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 8 -20.708 -15.089 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.773 -17.455 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -21.500 -17.320 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.617 -18.663 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.048 -17.115 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.243 -17.462 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.676 -18.274 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.436 -16.119 -10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -19.046 -15.298 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.137 -14.928 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.709 -16.426 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.257 -16.343 -10.807 1.00 0.00 H new ATOM 88 N CYS A 9 -21.112 -13.699 -5.212 1.00 0.00 N ATOM 89 CA CYS A 9 -21.936 -13.049 -4.199 1.00 0.00 C ATOM 90 C CYS A 9 -23.102 -12.305 -4.842 1.00 0.00 C ATOM 91 O CYS A 9 -22.978 -11.765 -5.942 1.00 0.00 O ATOM 92 CB CYS A 9 -21.093 -12.080 -3.369 1.00 0.00 C ATOM 93 SG CYS A 9 -21.829 -11.637 -1.778 1.00 0.00 S ATOM 0 H CYS A 9 -20.352 -13.121 -5.571 1.00 0.00 H new ATOM 0 HA CYS A 9 -22.338 -13.822 -3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -20.114 -12.526 -3.193 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -20.929 -11.171 -3.947 1.00 0.00 H new ATOM 0 HG CYS A 9 -21.041 -10.816 -1.149 1.00 0.00 H new ATOM 99 N THR A 10 -24.237 -12.282 -4.150 1.00 0.00 N ATOM 100 CA THR A 10 -25.426 -11.607 -4.654 1.00 0.00 C ATOM 101 C THR A 10 -25.214 -10.099 -4.727 1.00 0.00 C ATOM 102 O THR A 10 -25.694 -9.437 -5.647 1.00 0.00 O ATOM 103 CB THR A 10 -26.654 -11.899 -3.772 1.00 0.00 C ATOM 104 OG1 THR A 10 -26.407 -11.468 -2.429 1.00 0.00 O ATOM 105 CG2 THR A 10 -26.986 -13.384 -3.780 1.00 0.00 C ATOM 0 H THR A 10 -24.357 -12.723 -3.238 1.00 0.00 H new ATOM 0 HA THR A 10 -25.607 -11.994 -5.657 1.00 0.00 H new ATOM 0 HB THR A 10 -27.504 -11.351 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 10 -27.193 -11.656 -1.875 1.00 0.00 H new ATOM 0 HG21 THR A 10 -27.857 -13.566 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 10 -27.203 -13.703 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 10 -26.136 -13.949 -3.396 1.00 0.00 H new ATOM 113 N THR A 11 -24.490 -9.561 -3.751 1.00 0.00 N ATOM 114 CA THR A 11 -24.213 -8.130 -3.704 1.00 0.00 C ATOM 115 C THR A 11 -23.481 -7.670 -4.959 1.00 0.00 C ATOM 116 O THR A 11 -23.016 -8.489 -5.753 1.00 0.00 O ATOM 117 CB THR A 11 -23.372 -7.761 -2.468 1.00 0.00 C ATOM 118 OG1 THR A 11 -22.128 -8.469 -2.492 1.00 0.00 O ATOM 119 CG2 THR A 11 -24.122 -8.087 -1.185 1.00 0.00 C ATOM 0 H THR A 11 -24.085 -10.094 -2.982 1.00 0.00 H new ATOM 0 HA THR A 11 -25.176 -7.624 -3.643 1.00 0.00 H new ATOM 0 HB THR A 11 -23.180 -6.688 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.279 -9.405 -2.242 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.508 -7.818 -0.326 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.054 -7.523 -1.155 1.00 0.00 H new ATOM 0 HG23 THR A 11 -24.342 -9.154 -1.153 1.00 0.00 H new ATOM 127 N ARG A 12 -23.381 -6.357 -5.132 1.00 0.00 N ATOM 128 CA ARG A 12 -22.704 -5.788 -6.292 1.00 0.00 C ATOM 129 C ARG A 12 -21.221 -5.577 -6.006 1.00 0.00 C ATOM 130 O ARG A 12 -20.825 -5.356 -4.862 1.00 0.00 O ATOM 131 CB ARG A 12 -23.353 -4.460 -6.687 1.00 0.00 C ATOM 132 CG ARG A 12 -24.785 -4.604 -7.178 1.00 0.00 C ATOM 133 CD ARG A 12 -25.374 -3.260 -7.578 1.00 0.00 C ATOM 134 NE ARG A 12 -25.935 -2.546 -6.434 1.00 0.00 N ATOM 135 CZ ARG A 12 -26.103 -1.229 -6.402 1.00 0.00 C ATOM 136 NH1 ARG A 12 -25.756 -0.486 -7.444 1.00 0.00 N ATOM 137 NH2 ARG A 12 -26.620 -0.651 -5.324 1.00 0.00 N ATOM 0 H ARG A 12 -23.760 -5.666 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 12 -22.800 -6.491 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -23.338 -3.788 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -22.755 -3.991 -7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -24.812 -5.283 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -25.396 -5.052 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -24.600 -2.649 -8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -26.151 -3.413 -8.326 1.00 0.00 H new ATOM 0 HE ARG A 12 -26.213 -3.088 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -25.358 -0.926 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -25.887 0.525 -7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -26.888 -1.219 -4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -26.749 0.361 -5.300 1.00 0.00 H new ATOM 151 N GLU A 13 -20.406 -5.646 -7.054 1.00 0.00 N ATOM 152 CA GLU A 13 -18.966 -5.463 -6.915 1.00 0.00 C ATOM 153 C GLU A 13 -18.506 -4.195 -7.629 1.00 0.00 C ATOM 154 O GLU A 13 -17.425 -4.158 -8.217 1.00 0.00 O ATOM 155 CB GLU A 13 -18.219 -6.676 -7.474 1.00 0.00 C ATOM 156 CG GLU A 13 -18.173 -7.856 -6.519 1.00 0.00 C ATOM 157 CD GLU A 13 -19.553 -8.363 -6.151 1.00 0.00 C ATOM 158 OE1 GLU A 13 -20.177 -9.049 -6.988 1.00 0.00 O ATOM 159 OE2 GLU A 13 -20.010 -8.074 -5.025 1.00 0.00 O ATOM 0 H GLU A 13 -20.718 -5.827 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.740 -5.363 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.696 -6.989 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.200 -6.381 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.602 -8.665 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.644 -7.564 -5.612 1.00 0.00 H new ATOM 166 N ASP A 14 -19.336 -3.159 -7.574 1.00 0.00 N ATOM 167 CA ASP A 14 -19.016 -1.889 -8.215 1.00 0.00 C ATOM 168 C ASP A 14 -18.079 -1.060 -7.342 1.00 0.00 C ATOM 169 O ASP A 14 -18.250 0.151 -7.206 1.00 0.00 O ATOM 170 CB ASP A 14 -20.295 -1.101 -8.502 1.00 0.00 C ATOM 171 CG ASP A 14 -21.332 -1.261 -7.407 1.00 0.00 C ATOM 172 OD1 ASP A 14 -20.936 -1.475 -6.242 1.00 0.00 O ATOM 173 OD2 ASP A 14 -22.538 -1.172 -7.715 1.00 0.00 O ATOM 0 H ASP A 14 -20.235 -3.174 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 14 -18.511 -2.103 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.050 -0.045 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -20.718 -1.433 -9.450 1.00 0.00 H new ATOM 178 N SER A 15 -17.090 -1.722 -6.750 1.00 0.00 N ATOM 179 CA SER A 15 -16.129 -1.048 -5.885 1.00 0.00 C ATOM 180 C SER A 15 -14.928 -1.945 -5.604 1.00 0.00 C ATOM 181 O SER A 15 -15.049 -3.163 -5.468 1.00 0.00 O ATOM 182 CB SER A 15 -16.794 -0.639 -4.569 1.00 0.00 C ATOM 183 OG SER A 15 -16.213 0.545 -4.050 1.00 0.00 O ATOM 0 H SER A 15 -16.933 -2.725 -6.854 1.00 0.00 H new ATOM 0 HA SER A 15 -15.779 -0.153 -6.400 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.861 -0.484 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.695 -1.445 -3.842 1.00 0.00 H new ATOM 0 HG SER A 15 -16.656 0.786 -3.210 1.00 0.00 H new ATOM 189 N PRO A 16 -13.739 -1.331 -5.514 1.00 0.00 N ATOM 190 CA PRO A 16 -12.492 -2.054 -5.247 1.00 0.00 C ATOM 191 C PRO A 16 -12.429 -2.597 -3.824 1.00 0.00 C ATOM 192 O PRO A 16 -12.168 -1.856 -2.876 1.00 0.00 O ATOM 193 CB PRO A 16 -11.412 -0.990 -5.462 1.00 0.00 C ATOM 194 CG PRO A 16 -12.101 0.306 -5.206 1.00 0.00 C ATOM 195 CD PRO A 16 -13.521 0.118 -5.664 1.00 0.00 C ATOM 0 HA PRO A 16 -12.383 -2.928 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.573 -1.134 -4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.011 -1.032 -6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.063 0.566 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.620 1.118 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.219 0.694 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.656 0.440 -6.697 1.00 0.00 H new ATOM 203 N LYS A 17 -12.670 -3.896 -3.680 1.00 0.00 N ATOM 204 CA LYS A 17 -12.640 -4.540 -2.372 1.00 0.00 C ATOM 205 C LYS A 17 -11.205 -4.712 -1.884 1.00 0.00 C ATOM 206 O LYS A 17 -10.299 -4.988 -2.672 1.00 0.00 O ATOM 207 CB LYS A 17 -13.336 -5.901 -2.435 1.00 0.00 C ATOM 208 CG LYS A 17 -14.818 -5.842 -2.106 1.00 0.00 C ATOM 209 CD LYS A 17 -15.064 -5.990 -0.614 1.00 0.00 C ATOM 210 CE LYS A 17 -16.432 -6.593 -0.333 1.00 0.00 C ATOM 211 NZ LYS A 17 -16.976 -6.146 0.979 1.00 0.00 N ATOM 0 H LYS A 17 -12.888 -4.524 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.171 -3.900 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.211 -6.318 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.845 -6.583 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -15.231 -4.894 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.343 -6.633 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.290 -6.621 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.989 -5.015 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -17.123 -6.312 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.359 -7.680 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.909 -6.579 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.329 -6.436 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.070 -5.110 0.981 1.00 0.00 H new ATOM 225 N CYS A 18 -11.004 -4.550 -0.581 1.00 0.00 N ATOM 226 CA CYS A 18 -9.680 -4.689 0.013 1.00 0.00 C ATOM 227 C CYS A 18 -9.317 -6.160 0.196 1.00 0.00 C ATOM 228 O CYS A 18 -10.180 -7.036 0.132 1.00 0.00 O ATOM 229 CB CYS A 18 -9.624 -3.967 1.361 1.00 0.00 C ATOM 230 SG CYS A 18 -7.944 -3.797 2.044 1.00 0.00 S ATOM 0 H CYS A 18 -11.742 -4.322 0.085 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.956 -4.236 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.061 -2.975 1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.243 -4.508 2.077 1.00 0.00 H new ATOM 235 N LYS A 19 -8.035 -6.423 0.423 1.00 0.00 N ATOM 236 CA LYS A 19 -7.556 -7.787 0.616 1.00 0.00 C ATOM 237 C LYS A 19 -7.137 -8.016 2.065 1.00 0.00 C ATOM 238 O LYS A 19 -7.198 -9.136 2.569 1.00 0.00 O ATOM 239 CB LYS A 19 -6.379 -8.073 -0.318 1.00 0.00 C ATOM 240 CG LYS A 19 -5.594 -9.319 0.057 1.00 0.00 C ATOM 241 CD LYS A 19 -6.418 -10.579 -0.145 1.00 0.00 C ATOM 242 CE LYS A 19 -6.304 -11.097 -1.571 1.00 0.00 C ATOM 243 NZ LYS A 19 -5.115 -11.975 -1.749 1.00 0.00 N ATOM 0 H LYS A 19 -7.308 -5.709 0.478 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.373 -8.469 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.752 -8.182 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.706 -7.215 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.688 -9.375 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.279 -9.252 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.084 -11.349 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.463 -10.372 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.206 -11.651 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.239 -10.254 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.073 -12.307 -2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.252 -11.439 -1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.189 -12.793 -1.111 1.00 0.00 H new ATOM 257 N GLY A 20 -6.713 -6.946 2.730 1.00 0.00 N ATOM 258 CA GLY A 20 -6.292 -7.051 4.115 1.00 0.00 C ATOM 259 C GLY A 20 -7.463 -7.174 5.069 1.00 0.00 C ATOM 260 O GLY A 20 -7.534 -8.117 5.859 1.00 0.00 O ATOM 0 H GLY A 20 -6.653 -6.008 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.642 -7.918 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.702 -6.173 4.380 1.00 0.00 H new ATOM 264 N CYS A 21 -8.383 -6.218 5.000 1.00 0.00 N ATOM 265 CA CYS A 21 -9.556 -6.221 5.866 1.00 0.00 C ATOM 266 C CYS A 21 -10.767 -6.799 5.139 1.00 0.00 C ATOM 267 O CYS A 21 -11.798 -7.078 5.752 1.00 0.00 O ATOM 268 CB CYS A 21 -9.865 -4.802 6.346 1.00 0.00 C ATOM 269 SG CYS A 21 -10.278 -3.637 5.007 1.00 0.00 S ATOM 0 H CYS A 21 -8.339 -5.431 4.353 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.338 -6.850 6.729 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.697 -4.841 7.049 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.003 -4.419 6.893 1.00 0.00 H new ATOM 274 N PHE A 22 -10.635 -6.976 3.828 1.00 0.00 N ATOM 275 CA PHE A 22 -11.718 -7.520 3.017 1.00 0.00 C ATOM 276 C PHE A 22 -12.919 -6.578 3.011 1.00 0.00 C ATOM 277 O PHE A 22 -14.066 -7.017 2.935 1.00 0.00 O ATOM 278 CB PHE A 22 -12.137 -8.895 3.543 1.00 0.00 C ATOM 279 CG PHE A 22 -11.013 -9.891 3.579 1.00 0.00 C ATOM 280 CD1 PHE A 22 -10.588 -10.518 2.419 1.00 0.00 C ATOM 281 CD2 PHE A 22 -10.382 -10.200 4.773 1.00 0.00 C ATOM 282 CE1 PHE A 22 -9.554 -11.434 2.448 1.00 0.00 C ATOM 283 CE2 PHE A 22 -9.347 -11.115 4.809 1.00 0.00 C ATOM 284 CZ PHE A 22 -8.933 -11.734 3.645 1.00 0.00 C ATOM 0 H PHE A 22 -9.789 -6.751 3.305 1.00 0.00 H new ATOM 0 HA PHE A 22 -11.355 -7.625 1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.544 -8.782 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -12.939 -9.286 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -11.071 -10.288 1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -10.703 -9.720 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -9.232 -11.915 1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.862 -11.346 5.746 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.126 -12.451 3.671 1.00 0.00 H new ATOM 294 N LYS A 23 -12.645 -5.281 3.093 1.00 0.00 N ATOM 295 CA LYS A 23 -13.701 -4.275 3.096 1.00 0.00 C ATOM 296 C LYS A 23 -13.685 -3.466 1.803 1.00 0.00 C ATOM 297 O LYS A 23 -12.629 -3.237 1.215 1.00 0.00 O ATOM 298 CB LYS A 23 -13.538 -3.339 4.297 1.00 0.00 C ATOM 299 CG LYS A 23 -13.545 -4.060 5.634 1.00 0.00 C ATOM 300 CD LYS A 23 -13.330 -3.095 6.788 1.00 0.00 C ATOM 301 CE LYS A 23 -14.036 -3.569 8.049 1.00 0.00 C ATOM 302 NZ LYS A 23 -13.161 -4.443 8.879 1.00 0.00 N ATOM 0 H LYS A 23 -11.701 -4.901 3.158 1.00 0.00 H new ATOM 0 HA LYS A 23 -14.659 -4.790 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.602 -2.790 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.342 -2.603 4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.495 -4.578 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.763 -4.820 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.263 -2.992 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.700 -2.108 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.349 -2.706 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.940 -4.114 7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.678 -4.745 9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.883 -5.280 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.310 -3.915 9.161 1.00 0.00 H new ATOM 316 N ALA A 24 -14.864 -3.036 1.365 1.00 0.00 N ATOM 317 CA ALA A 24 -14.985 -2.250 0.144 1.00 0.00 C ATOM 318 C ALA A 24 -14.184 -0.956 0.242 1.00 0.00 C ATOM 319 O ALA A 24 -14.307 -0.211 1.214 1.00 0.00 O ATOM 320 CB ALA A 24 -16.448 -1.946 -0.146 1.00 0.00 C ATOM 0 H ALA A 24 -15.749 -3.219 1.838 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.577 -2.838 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.523 -1.358 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.996 -2.880 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.874 -1.382 0.684 1.00 0.00 H new ATOM 326 N ILE A 25 -13.363 -0.696 -0.770 1.00 0.00 N ATOM 327 CA ILE A 25 -12.543 0.509 -0.797 1.00 0.00 C ATOM 328 C ILE A 25 -13.107 1.537 -1.772 1.00 0.00 C ATOM 329 O ILE A 25 -13.677 1.182 -2.804 1.00 0.00 O ATOM 330 CB ILE A 25 -11.088 0.190 -1.190 1.00 0.00 C ATOM 331 CG1 ILE A 25 -10.617 -1.088 -0.493 1.00 0.00 C ATOM 332 CG2 ILE A 25 -10.177 1.357 -0.840 1.00 0.00 C ATOM 333 CD1 ILE A 25 -9.114 -1.255 -0.487 1.00 0.00 C ATOM 0 H ILE A 25 -13.248 -1.303 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.557 0.923 0.211 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.045 0.031 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.978 -1.085 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.068 -1.949 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.152 1.117 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.503 2.247 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.222 1.545 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.853 -2.182 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.748 -1.290 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.656 -0.413 0.033 1.00 0.00 H new ATOM 345 N VAL A 26 -12.942 2.813 -1.439 1.00 0.00 N ATOM 346 CA VAL A 26 -13.432 3.894 -2.286 1.00 0.00 C ATOM 347 C VAL A 26 -12.286 4.575 -3.026 1.00 0.00 C ATOM 348 O VAL A 26 -11.129 4.173 -2.904 1.00 0.00 O ATOM 349 CB VAL A 26 -14.196 4.949 -1.464 1.00 0.00 C ATOM 350 CG1 VAL A 26 -15.468 4.352 -0.881 1.00 0.00 C ATOM 351 CG2 VAL A 26 -13.309 5.512 -0.364 1.00 0.00 C ATOM 0 H VAL A 26 -12.473 3.124 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.112 3.445 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.477 5.767 -2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.995 5.112 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.109 4.001 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.213 3.515 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.865 6.256 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.996 4.706 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.430 5.978 -0.809 1.00 0.00 H new ATOM 361 N ALA A 27 -12.615 5.609 -3.793 1.00 0.00 N ATOM 362 CA ALA A 27 -11.614 6.348 -4.551 1.00 0.00 C ATOM 363 C ALA A 27 -10.994 7.457 -3.707 1.00 0.00 C ATOM 364 O ALA A 27 -9.778 7.508 -3.527 1.00 0.00 O ATOM 365 CB ALA A 27 -12.230 6.926 -5.816 1.00 0.00 C ATOM 0 H ALA A 27 -13.568 5.954 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.821 5.654 -4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.471 7.475 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.618 6.117 -6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.043 7.601 -5.549 1.00 0.00 H new ATOM 371 N GLY A 28 -11.840 8.344 -3.192 1.00 0.00 N ATOM 372 CA GLY A 28 -11.356 9.441 -2.373 1.00 0.00 C ATOM 373 C GLY A 28 -10.364 8.986 -1.322 1.00 0.00 C ATOM 374 O GLY A 28 -9.413 9.702 -1.006 1.00 0.00 O ATOM 0 H GLY A 28 -12.851 8.323 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.886 10.188 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.201 9.926 -1.885 1.00 0.00 H new ATOM 378 N ASP A 29 -10.584 7.795 -0.778 1.00 0.00 N ATOM 379 CA ASP A 29 -9.702 7.245 0.244 1.00 0.00 C ATOM 380 C ASP A 29 -8.377 6.798 -0.365 1.00 0.00 C ATOM 381 O ASP A 29 -8.344 6.241 -1.462 1.00 0.00 O ATOM 382 CB ASP A 29 -10.376 6.068 0.951 1.00 0.00 C ATOM 383 CG ASP A 29 -9.905 5.906 2.383 1.00 0.00 C ATOM 384 OD1 ASP A 29 -9.939 6.902 3.135 1.00 0.00 O ATOM 385 OD2 ASP A 29 -9.500 4.783 2.751 1.00 0.00 O ATOM 0 H ASP A 29 -11.367 7.191 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.500 8.029 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.456 6.212 0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.172 5.151 0.398 1.00 0.00 H new ATOM 390 N GLN A 30 -7.287 7.047 0.354 1.00 0.00 N ATOM 391 CA GLN A 30 -5.959 6.672 -0.117 1.00 0.00 C ATOM 392 C GLN A 30 -5.736 5.170 0.025 1.00 0.00 C ATOM 393 O GLN A 30 -5.741 4.634 1.133 1.00 0.00 O ATOM 394 CB GLN A 30 -4.884 7.435 0.659 1.00 0.00 C ATOM 395 CG GLN A 30 -4.673 8.857 0.166 1.00 0.00 C ATOM 396 CD GLN A 30 -3.635 9.608 0.977 1.00 0.00 C ATOM 397 OE1 GLN A 30 -2.559 9.083 1.267 1.00 0.00 O ATOM 398 NE2 GLN A 30 -3.952 10.843 1.347 1.00 0.00 N ATOM 0 H GLN A 30 -7.297 7.507 1.265 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.888 6.934 -1.173 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.159 7.462 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.942 6.891 0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.364 8.833 -0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.620 9.396 0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.855 11.238 1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.293 11.397 1.894 1.00 0.00 H new ATOM 407 N ASN A 31 -5.540 4.496 -1.104 1.00 0.00 N ATOM 408 CA ASN A 31 -5.315 3.055 -1.104 1.00 0.00 C ATOM 409 C ASN A 31 -4.214 2.676 -2.090 1.00 0.00 C ATOM 410 O ASN A 31 -3.684 3.528 -2.803 1.00 0.00 O ATOM 411 CB ASN A 31 -6.608 2.317 -1.458 1.00 0.00 C ATOM 412 CG ASN A 31 -7.841 3.027 -0.935 1.00 0.00 C ATOM 413 OD1 ASN A 31 -8.158 2.951 0.253 1.00 0.00 O ATOM 414 ND2 ASN A 31 -8.544 3.722 -1.821 1.00 0.00 N ATOM 0 H ASN A 31 -5.532 4.924 -2.030 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.998 2.761 -0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.681 2.218 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.571 1.308 -1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.384 4.221 -1.527 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.244 3.757 -2.795 1.00 0.00 H new ATOM 421 N VAL A 32 -3.876 1.391 -2.126 1.00 0.00 N ATOM 422 CA VAL A 32 -2.839 0.898 -3.025 1.00 0.00 C ATOM 423 C VAL A 32 -3.355 -0.255 -3.879 1.00 0.00 C ATOM 424 O VAL A 32 -3.419 -1.396 -3.424 1.00 0.00 O ATOM 425 CB VAL A 32 -1.596 0.429 -2.245 1.00 0.00 C ATOM 426 CG1 VAL A 32 -0.403 0.287 -3.178 1.00 0.00 C ATOM 427 CG2 VAL A 32 -1.285 1.393 -1.110 1.00 0.00 C ATOM 0 H VAL A 32 -4.305 0.672 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.560 1.729 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.807 -0.549 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.466 -0.045 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.632 -0.445 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.187 1.250 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.404 1.047 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.093 2.386 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.134 1.439 -0.428 1.00 0.00 H new ATOM 437 N GLU A 33 -3.721 0.052 -5.119 1.00 0.00 N ATOM 438 CA GLU A 33 -4.232 -0.959 -6.037 1.00 0.00 C ATOM 439 C GLU A 33 -3.096 -1.590 -6.838 1.00 0.00 C ATOM 440 O GLU A 33 -2.104 -0.932 -7.153 1.00 0.00 O ATOM 441 CB GLU A 33 -5.261 -0.344 -6.988 1.00 0.00 C ATOM 442 CG GLU A 33 -6.203 -1.363 -7.606 1.00 0.00 C ATOM 443 CD GLU A 33 -6.709 -0.937 -8.970 1.00 0.00 C ATOM 444 OE1 GLU A 33 -5.873 -0.693 -9.864 1.00 0.00 O ATOM 445 OE2 GLU A 33 -7.943 -0.848 -9.143 1.00 0.00 O ATOM 0 H GLU A 33 -3.673 0.992 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.714 -1.738 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.847 0.398 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.737 0.184 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.689 -2.320 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.052 -1.518 -6.940 1.00 0.00 H new ATOM 452 N TYR A 34 -3.249 -2.869 -7.163 1.00 0.00 N ATOM 453 CA TYR A 34 -2.236 -3.590 -7.924 1.00 0.00 C ATOM 454 C TYR A 34 -2.837 -4.818 -8.602 1.00 0.00 C ATOM 455 O TYR A 34 -3.227 -5.780 -7.940 1.00 0.00 O ATOM 456 CB TYR A 34 -1.084 -4.011 -7.010 1.00 0.00 C ATOM 457 CG TYR A 34 -0.308 -5.202 -7.523 1.00 0.00 C ATOM 458 CD1 TYR A 34 -0.039 -5.349 -8.879 1.00 0.00 C ATOM 459 CD2 TYR A 34 0.157 -6.181 -6.654 1.00 0.00 C ATOM 460 CE1 TYR A 34 0.670 -6.436 -9.353 1.00 0.00 C ATOM 461 CE2 TYR A 34 0.867 -7.270 -7.119 1.00 0.00 C ATOM 462 CZ TYR A 34 1.121 -7.394 -8.469 1.00 0.00 C ATOM 463 OH TYR A 34 1.828 -8.478 -8.936 1.00 0.00 O ATOM 0 H TYR A 34 -4.065 -3.427 -6.911 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.853 -2.922 -8.695 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.402 -3.169 -6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.482 -4.245 -6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.390 -4.601 -9.574 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.040 -6.089 -5.596 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.870 -6.535 -10.410 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.222 -8.021 -6.429 1.00 0.00 H new ATOM 0 HH TYR A 34 2.073 -9.057 -8.184 1.00 0.00 H new ATOM 473 N LYS A 35 -2.907 -4.779 -9.928 1.00 0.00 N ATOM 474 CA LYS A 35 -3.457 -5.887 -10.699 1.00 0.00 C ATOM 475 C LYS A 35 -4.854 -6.252 -10.208 1.00 0.00 C ATOM 476 O LYS A 35 -5.196 -7.428 -10.095 1.00 0.00 O ATOM 477 CB LYS A 35 -2.538 -7.107 -10.605 1.00 0.00 C ATOM 478 CG LYS A 35 -1.484 -7.160 -11.698 1.00 0.00 C ATOM 479 CD LYS A 35 -1.969 -7.948 -12.903 1.00 0.00 C ATOM 480 CE LYS A 35 -0.887 -8.064 -13.966 1.00 0.00 C ATOM 481 NZ LYS A 35 -1.332 -8.889 -15.123 1.00 0.00 N ATOM 0 H LYS A 35 -2.589 -3.991 -10.492 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.528 -5.572 -11.740 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.043 -7.104 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.144 -8.012 -10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.226 -6.147 -12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.575 -7.616 -11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.278 -8.944 -12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.847 -7.461 -13.328 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.612 -7.068 -14.314 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.007 -8.506 -13.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.567 -8.944 -15.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.570 -9.847 -14.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.170 -8.453 -15.558 1.00 0.00 H new ATOM 495 N GLY A 36 -5.659 -5.234 -9.917 1.00 0.00 N ATOM 496 CA GLY A 36 -7.010 -5.468 -9.442 1.00 0.00 C ATOM 497 C GLY A 36 -7.143 -5.263 -7.946 1.00 0.00 C ATOM 498 O GLY A 36 -7.858 -4.368 -7.495 1.00 0.00 O ATOM 0 H GLY A 36 -5.399 -4.251 -10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.695 -4.797 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.309 -6.485 -9.694 1.00 0.00 H new ATOM 502 N THR A 37 -6.453 -6.096 -7.173 1.00 0.00 N ATOM 503 CA THR A 37 -6.499 -6.004 -5.719 1.00 0.00 C ATOM 504 C THR A 37 -6.199 -4.585 -5.248 1.00 0.00 C ATOM 505 O THR A 37 -5.818 -3.724 -6.041 1.00 0.00 O ATOM 506 CB THR A 37 -5.497 -6.973 -5.063 1.00 0.00 C ATOM 507 OG1 THR A 37 -4.228 -6.884 -5.719 1.00 0.00 O ATOM 508 CG2 THR A 37 -6.008 -8.404 -5.127 1.00 0.00 C ATOM 0 H THR A 37 -5.856 -6.842 -7.530 1.00 0.00 H new ATOM 0 HA THR A 37 -7.510 -6.278 -5.417 1.00 0.00 H new ATOM 0 HB THR A 37 -5.384 -6.691 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.624 -6.323 -5.189 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.284 -9.070 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.960 -8.474 -4.601 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.147 -8.695 -6.168 1.00 0.00 H new ATOM 516 N VAL A 38 -6.372 -4.348 -3.952 1.00 0.00 N ATOM 517 CA VAL A 38 -6.118 -3.033 -3.374 1.00 0.00 C ATOM 518 C VAL A 38 -6.072 -3.101 -1.852 1.00 0.00 C ATOM 519 O VAL A 38 -6.890 -3.774 -1.225 1.00 0.00 O ATOM 520 CB VAL A 38 -7.194 -2.016 -3.799 1.00 0.00 C ATOM 521 CG1 VAL A 38 -8.583 -2.533 -3.457 1.00 0.00 C ATOM 522 CG2 VAL A 38 -6.941 -0.668 -3.142 1.00 0.00 C ATOM 0 H VAL A 38 -6.687 -5.049 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.149 -2.704 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.138 -1.884 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.330 -1.801 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.760 -3.473 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.656 -2.696 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.710 0.039 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.969 -0.781 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.962 -0.294 -3.443 1.00 0.00 H new ATOM 532 N TRP A 39 -5.110 -2.400 -1.264 1.00 0.00 N ATOM 533 CA TRP A 39 -4.956 -2.380 0.187 1.00 0.00 C ATOM 534 C TRP A 39 -4.999 -0.952 0.719 1.00 0.00 C ATOM 535 O TRP A 39 -4.228 -0.095 0.287 1.00 0.00 O ATOM 536 CB TRP A 39 -3.642 -3.049 0.591 1.00 0.00 C ATOM 537 CG TRP A 39 -3.556 -4.488 0.178 1.00 0.00 C ATOM 538 CD1 TRP A 39 -3.743 -5.581 0.975 1.00 0.00 C ATOM 539 CD2 TRP A 39 -3.260 -4.988 -1.130 1.00 0.00 C ATOM 540 NE1 TRP A 39 -3.581 -6.731 0.240 1.00 0.00 N ATOM 541 CE2 TRP A 39 -3.285 -6.394 -1.054 1.00 0.00 C ATOM 542 CE3 TRP A 39 -2.978 -4.385 -2.359 1.00 0.00 C ATOM 543 CZ2 TRP A 39 -3.037 -7.204 -2.159 1.00 0.00 C ATOM 544 CZ3 TRP A 39 -2.733 -5.190 -3.455 1.00 0.00 C ATOM 545 CH2 TRP A 39 -2.764 -6.587 -3.350 1.00 0.00 C ATOM 0 H TRP A 39 -4.425 -1.838 -1.769 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.786 -2.935 0.623 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -2.812 -2.501 0.146 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.526 -2.981 1.673 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.983 -5.547 2.027 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.667 -7.681 0.600 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.952 -3.309 -2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.059 -8.281 -2.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.514 -4.734 -4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.569 -7.188 -4.226 1.00 0.00 H new ATOM 556 N HIS A 40 -5.904 -0.702 1.660 1.00 0.00 N ATOM 557 CA HIS A 40 -6.045 0.623 2.252 1.00 0.00 C ATOM 558 C HIS A 40 -4.686 1.187 2.655 1.00 0.00 C ATOM 559 O HIS A 40 -3.830 0.465 3.167 1.00 0.00 O ATOM 560 CB HIS A 40 -6.967 0.565 3.470 1.00 0.00 C ATOM 561 CG HIS A 40 -8.413 0.388 3.120 1.00 0.00 C ATOM 562 ND1 HIS A 40 -9.111 -0.775 3.369 1.00 0.00 N ATOM 563 CD2 HIS A 40 -9.293 1.236 2.538 1.00 0.00 C ATOM 564 CE1 HIS A 40 -10.357 -0.635 2.954 1.00 0.00 C ATOM 565 NE2 HIS A 40 -10.493 0.576 2.445 1.00 0.00 N ATOM 0 H HIS A 40 -6.550 -1.400 2.029 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.484 1.282 1.504 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -6.654 -0.258 4.113 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.851 1.483 4.047 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.089 2.244 2.208 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.133 -1.384 3.020 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.351 0.959 2.047 1.00 0.00 H new ATOM 573 N LYS A 41 -4.493 2.480 2.418 1.00 0.00 N ATOM 574 CA LYS A 41 -3.238 3.141 2.756 1.00 0.00 C ATOM 575 C LYS A 41 -2.719 2.664 4.108 1.00 0.00 C ATOM 576 O LYS A 41 -1.520 2.728 4.381 1.00 0.00 O ATOM 577 CB LYS A 41 -3.428 4.660 2.777 1.00 0.00 C ATOM 578 CG LYS A 41 -2.269 5.409 3.411 1.00 0.00 C ATOM 579 CD LYS A 41 -2.345 6.899 3.126 1.00 0.00 C ATOM 580 CE LYS A 41 -1.384 7.685 4.005 1.00 0.00 C ATOM 581 NZ LYS A 41 -2.009 8.073 5.300 1.00 0.00 N ATOM 0 H LYS A 41 -5.190 3.091 1.993 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.503 2.883 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.564 5.015 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.343 4.896 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.273 5.243 4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.327 5.013 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.113 7.082 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.363 7.251 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.494 7.086 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.058 8.581 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.323 8.607 5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.844 8.666 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.297 7.218 5.816 1.00 0.00 H new ATOM 595 N ASP A 42 -3.628 2.186 4.951 1.00 0.00 N ATOM 596 CA ASP A 42 -3.261 1.696 6.274 1.00 0.00 C ATOM 597 C ASP A 42 -3.163 0.173 6.282 1.00 0.00 C ATOM 598 O ASP A 42 -2.394 -0.406 7.049 1.00 0.00 O ATOM 599 CB ASP A 42 -4.282 2.159 7.314 1.00 0.00 C ATOM 600 CG ASP A 42 -5.578 1.376 7.241 1.00 0.00 C ATOM 601 OD1 ASP A 42 -6.191 1.342 6.153 1.00 0.00 O ATOM 602 OD2 ASP A 42 -5.980 0.797 8.272 1.00 0.00 O ATOM 0 H ASP A 42 -4.624 2.128 4.741 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.284 2.106 6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.854 2.055 8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.492 3.218 7.166 1.00 0.00 H new ATOM 607 N CYS A 43 -3.948 -0.469 5.424 1.00 0.00 N ATOM 608 CA CYS A 43 -3.952 -1.924 5.332 1.00 0.00 C ATOM 609 C CYS A 43 -2.657 -2.433 4.705 1.00 0.00 C ATOM 610 O CYS A 43 -2.013 -3.339 5.233 1.00 0.00 O ATOM 611 CB CYS A 43 -5.152 -2.401 4.510 1.00 0.00 C ATOM 612 SG CYS A 43 -6.699 -2.535 5.463 1.00 0.00 S ATOM 0 H CYS A 43 -4.590 -0.004 4.782 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.029 -2.327 6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.307 -1.712 3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.919 -3.374 4.077 1.00 0.00 H new ATOM 617 N PHE A 44 -2.283 -1.844 3.574 1.00 0.00 N ATOM 618 CA PHE A 44 -1.066 -2.237 2.874 1.00 0.00 C ATOM 619 C PHE A 44 0.141 -2.180 3.806 1.00 0.00 C ATOM 620 O PHE A 44 0.526 -1.110 4.278 1.00 0.00 O ATOM 621 CB PHE A 44 -0.833 -1.331 1.663 1.00 0.00 C ATOM 622 CG PHE A 44 0.113 -1.913 0.651 1.00 0.00 C ATOM 623 CD1 PHE A 44 -0.116 -3.169 0.113 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.229 -1.204 0.238 1.00 0.00 C ATOM 625 CE1 PHE A 44 0.753 -3.707 -0.818 1.00 0.00 C ATOM 626 CE2 PHE A 44 2.101 -1.736 -0.692 1.00 0.00 C ATOM 627 CZ PHE A 44 1.862 -2.989 -1.222 1.00 0.00 C ATOM 0 H PHE A 44 -2.805 -1.093 3.123 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.190 -3.264 2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.790 -1.130 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.441 -0.373 2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.982 -3.734 0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.420 -0.223 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.565 -4.688 -1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.968 -1.173 -1.004 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.541 -3.407 -1.951 1.00 0.00 H new ATOM 637 N THR A 45 0.735 -3.341 4.067 1.00 0.00 N ATOM 638 CA THR A 45 1.896 -3.424 4.944 1.00 0.00 C ATOM 639 C THR A 45 3.013 -4.238 4.300 1.00 0.00 C ATOM 640 O THR A 45 2.832 -4.824 3.233 1.00 0.00 O ATOM 641 CB THR A 45 1.532 -4.057 6.300 1.00 0.00 C ATOM 642 OG1 THR A 45 0.769 -5.252 6.094 1.00 0.00 O ATOM 643 CG2 THR A 45 0.736 -3.083 7.156 1.00 0.00 C ATOM 0 H THR A 45 0.431 -4.236 3.683 1.00 0.00 H new ATOM 0 HA THR A 45 2.241 -2.403 5.109 1.00 0.00 H new ATOM 0 HB THR A 45 2.457 -4.302 6.821 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.543 -5.649 6.961 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.490 -3.552 8.109 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.330 -2.187 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.184 -2.811 6.638 1.00 0.00 H new ATOM 651 N CYS A 46 4.169 -4.269 4.956 1.00 0.00 N ATOM 652 CA CYS A 46 5.316 -5.011 4.448 1.00 0.00 C ATOM 653 C CYS A 46 5.258 -6.472 4.887 1.00 0.00 C ATOM 654 O CYS A 46 4.493 -6.831 5.782 1.00 0.00 O ATOM 655 CB CYS A 46 6.619 -4.373 4.934 1.00 0.00 C ATOM 656 SG CYS A 46 8.118 -5.055 4.155 1.00 0.00 S ATOM 0 H CYS A 46 4.335 -3.789 5.840 1.00 0.00 H new ATOM 0 HA CYS A 46 5.286 -4.976 3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.579 -3.301 4.743 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.693 -4.502 6.014 1.00 0.00 H new ATOM 661 N SER A 47 6.071 -7.308 4.250 1.00 0.00 N ATOM 662 CA SER A 47 6.110 -8.730 4.572 1.00 0.00 C ATOM 663 C SER A 47 7.297 -9.050 5.474 1.00 0.00 C ATOM 664 O SER A 47 7.289 -10.044 6.200 1.00 0.00 O ATOM 665 CB SER A 47 6.189 -9.563 3.291 1.00 0.00 C ATOM 666 OG SER A 47 7.257 -9.130 2.466 1.00 0.00 O ATOM 0 H SER A 47 6.712 -7.026 3.508 1.00 0.00 H new ATOM 0 HA SER A 47 5.193 -8.982 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.325 -10.614 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.249 -9.486 2.745 1.00 0.00 H new ATOM 0 HG SER A 47 7.699 -9.909 2.067 1.00 0.00 H new ATOM 672 N ASN A 48 8.318 -8.201 5.422 1.00 0.00 N ATOM 673 CA ASN A 48 9.515 -8.393 6.234 1.00 0.00 C ATOM 674 C ASN A 48 9.398 -7.646 7.559 1.00 0.00 C ATOM 675 O ASN A 48 9.277 -8.258 8.621 1.00 0.00 O ATOM 676 CB ASN A 48 10.754 -7.916 5.474 1.00 0.00 C ATOM 677 CG ASN A 48 11.985 -7.853 6.357 1.00 0.00 C ATOM 678 OD1 ASN A 48 12.765 -8.803 6.422 1.00 0.00 O ATOM 679 ND2 ASN A 48 12.164 -6.730 7.043 1.00 0.00 N ATOM 0 H ASN A 48 8.341 -7.373 4.826 1.00 0.00 H new ATOM 0 HA ASN A 48 9.614 -9.458 6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.945 -8.588 4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.561 -6.929 5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.974 -6.630 7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.491 -5.968 6.958 1.00 0.00 H new ATOM 686 N CYS A 49 9.436 -6.320 7.490 1.00 0.00 N ATOM 687 CA CYS A 49 9.335 -5.488 8.682 1.00 0.00 C ATOM 688 C CYS A 49 7.882 -5.347 9.126 1.00 0.00 C ATOM 689 O CYS A 49 7.601 -5.048 10.287 1.00 0.00 O ATOM 690 CB CYS A 49 9.935 -4.105 8.418 1.00 0.00 C ATOM 691 SG CYS A 49 9.085 -3.163 7.112 1.00 0.00 S ATOM 0 H CYS A 49 9.536 -5.798 6.619 1.00 0.00 H new ATOM 0 HA CYS A 49 9.896 -5.973 9.481 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.910 -3.528 9.342 1.00 0.00 H new ATOM 0 HB3 CYS A 49 10.983 -4.222 8.143 1.00 0.00 H new ATOM 696 N LYS A 50 6.961 -5.564 8.193 1.00 0.00 N ATOM 697 CA LYS A 50 5.536 -5.464 8.486 1.00 0.00 C ATOM 698 C LYS A 50 5.165 -4.044 8.902 1.00 0.00 C ATOM 699 O LYS A 50 4.483 -3.840 9.906 1.00 0.00 O ATOM 700 CB LYS A 50 5.151 -6.448 9.593 1.00 0.00 C ATOM 701 CG LYS A 50 5.580 -7.877 9.312 1.00 0.00 C ATOM 702 CD LYS A 50 4.651 -8.554 8.319 1.00 0.00 C ATOM 703 CE LYS A 50 4.584 -10.056 8.551 1.00 0.00 C ATOM 704 NZ LYS A 50 3.736 -10.737 7.534 1.00 0.00 N ATOM 0 H LYS A 50 7.176 -5.810 7.227 1.00 0.00 H new ATOM 0 HA LYS A 50 4.986 -5.714 7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.600 -6.121 10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.070 -6.422 9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.597 -7.882 8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.593 -8.443 10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.652 -8.127 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.996 -8.357 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.591 -10.473 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.186 -10.252 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.716 -11.759 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.769 -10.357 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.130 -10.571 6.586 1.00 0.00 H new ATOM 718 N GLN A 51 5.616 -3.067 8.122 1.00 0.00 N ATOM 719 CA GLN A 51 5.330 -1.666 8.410 1.00 0.00 C ATOM 720 C GLN A 51 4.433 -1.061 7.335 1.00 0.00 C ATOM 721 O GLN A 51 4.782 -1.051 6.155 1.00 0.00 O ATOM 722 CB GLN A 51 6.632 -0.869 8.513 1.00 0.00 C ATOM 723 CG GLN A 51 7.568 -1.370 9.601 1.00 0.00 C ATOM 724 CD GLN A 51 8.727 -0.427 9.854 1.00 0.00 C ATOM 725 OE1 GLN A 51 9.709 -0.417 9.110 1.00 0.00 O ATOM 726 NE2 GLN A 51 8.620 0.374 10.908 1.00 0.00 N ATOM 0 H GLN A 51 6.181 -3.219 7.286 1.00 0.00 H new ATOM 0 HA GLN A 51 4.806 -1.617 9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.149 -0.908 7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.394 0.177 8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.006 -1.504 10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.956 -2.349 9.319 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.789 0.333 11.498 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.369 1.031 11.128 1.00 0.00 H new ATOM 735 N VAL A 52 3.276 -0.558 7.752 1.00 0.00 N ATOM 736 CA VAL A 52 2.328 0.049 6.825 1.00 0.00 C ATOM 737 C VAL A 52 3.051 0.852 5.748 1.00 0.00 C ATOM 738 O VAL A 52 3.715 1.846 6.042 1.00 0.00 O ATOM 739 CB VAL A 52 1.337 0.972 7.559 1.00 0.00 C ATOM 740 CG1 VAL A 52 0.397 1.642 6.569 1.00 0.00 C ATOM 741 CG2 VAL A 52 0.556 0.190 8.604 1.00 0.00 C ATOM 0 H VAL A 52 2.972 -0.559 8.726 1.00 0.00 H new ATOM 0 HA VAL A 52 1.775 -0.766 6.358 1.00 0.00 H new ATOM 0 HB VAL A 52 1.903 1.751 8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.296 2.290 7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.976 2.236 5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.164 0.880 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.139 0.857 9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.000 -0.612 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.247 -0.237 9.331 1.00 0.00 H new ATOM 751 N ILE A 53 2.916 0.414 4.501 1.00 0.00 N ATOM 752 CA ILE A 53 3.554 1.092 3.380 1.00 0.00 C ATOM 753 C ILE A 53 2.609 2.102 2.739 1.00 0.00 C ATOM 754 O ILE A 53 3.010 3.214 2.398 1.00 0.00 O ATOM 755 CB ILE A 53 4.022 0.090 2.308 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.936 -0.966 2.931 1.00 0.00 C ATOM 757 CG2 ILE A 53 4.736 0.818 1.179 1.00 0.00 C ATOM 758 CD1 ILE A 53 5.207 -2.143 2.020 1.00 0.00 C ATOM 0 H ILE A 53 2.370 -0.408 4.242 1.00 0.00 H new ATOM 0 HA ILE A 53 4.423 1.614 3.780 1.00 0.00 H new ATOM 0 HB ILE A 53 3.148 -0.412 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.884 -0.501 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.483 -1.328 3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.061 0.097 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.055 1.536 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.604 1.344 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.862 -2.852 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.266 -2.633 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.688 -1.793 1.107 1.00 0.00 H new ATOM 770 N GLY A 54 1.349 1.707 2.578 1.00 0.00 N ATOM 771 CA GLY A 54 0.366 2.590 1.979 1.00 0.00 C ATOM 772 C GLY A 54 0.805 3.115 0.627 1.00 0.00 C ATOM 773 O GLY A 54 1.510 2.429 -0.115 1.00 0.00 O ATOM 0 H GLY A 54 0.992 0.791 2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.578 2.056 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.181 3.430 2.649 1.00 0.00 H new ATOM 777 N THR A 55 0.385 4.334 0.302 1.00 0.00 N ATOM 778 CA THR A 55 0.737 4.949 -0.972 1.00 0.00 C ATOM 779 C THR A 55 2.206 4.716 -1.308 1.00 0.00 C ATOM 780 O THR A 55 2.549 4.392 -2.444 1.00 0.00 O ATOM 781 CB THR A 55 0.458 6.463 -0.961 1.00 0.00 C ATOM 782 OG1 THR A 55 1.023 7.057 0.214 1.00 0.00 O ATOM 783 CG2 THR A 55 -1.037 6.739 -1.006 1.00 0.00 C ATOM 0 H THR A 55 -0.199 4.915 0.904 1.00 0.00 H new ATOM 0 HA THR A 55 0.114 4.478 -1.733 1.00 0.00 H new ATOM 0 HB THR A 55 0.919 6.901 -1.847 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.843 8.020 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.209 7.815 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.459 6.312 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.517 6.288 -0.137 1.00 0.00 H new ATOM 791 N GLY A 56 3.070 4.883 -0.311 1.00 0.00 N ATOM 792 CA GLY A 56 4.492 4.686 -0.522 1.00 0.00 C ATOM 793 C GLY A 56 4.783 3.579 -1.515 1.00 0.00 C ATOM 794 O GLY A 56 3.998 2.642 -1.659 1.00 0.00 O ATOM 0 H GLY A 56 2.810 5.151 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.935 5.616 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.968 4.450 0.430 1.00 0.00 H new ATOM 798 N SER A 57 5.915 3.686 -2.204 1.00 0.00 N ATOM 799 CA SER A 57 6.306 2.688 -3.193 1.00 0.00 C ATOM 800 C SER A 57 6.543 1.333 -2.533 1.00 0.00 C ATOM 801 O SER A 57 6.879 1.255 -1.351 1.00 0.00 O ATOM 802 CB SER A 57 7.569 3.137 -3.930 1.00 0.00 C ATOM 803 OG SER A 57 7.350 4.355 -4.622 1.00 0.00 O ATOM 0 H SER A 57 6.577 4.454 -2.095 1.00 0.00 H new ATOM 0 HA SER A 57 5.492 2.586 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.385 3.261 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.876 2.365 -4.635 1.00 0.00 H new ATOM 0 HG SER A 57 8.172 4.622 -5.083 1.00 0.00 H new ATOM 809 N PHE A 58 6.365 0.267 -3.306 1.00 0.00 N ATOM 810 CA PHE A 58 6.558 -1.086 -2.798 1.00 0.00 C ATOM 811 C PHE A 58 7.073 -2.012 -3.897 1.00 0.00 C ATOM 812 O PHE A 58 7.149 -1.626 -5.063 1.00 0.00 O ATOM 813 CB PHE A 58 5.247 -1.632 -2.228 1.00 0.00 C ATOM 814 CG PHE A 58 4.152 -1.746 -3.250 1.00 0.00 C ATOM 815 CD1 PHE A 58 3.362 -0.652 -3.563 1.00 0.00 C ATOM 816 CD2 PHE A 58 3.912 -2.948 -3.896 1.00 0.00 C ATOM 817 CE1 PHE A 58 2.353 -0.755 -4.502 1.00 0.00 C ATOM 818 CE2 PHE A 58 2.904 -3.057 -4.836 1.00 0.00 C ATOM 819 CZ PHE A 58 2.124 -1.958 -5.140 1.00 0.00 C ATOM 0 H PHE A 58 6.087 0.314 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 58 7.303 -1.046 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.430 -2.614 -1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.913 -0.982 -1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.536 0.292 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.519 -3.810 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.744 0.105 -4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.727 -4.000 -5.332 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.337 -2.040 -5.875 1.00 0.00 H new ATOM 829 N PHE A 59 7.425 -3.235 -3.515 1.00 0.00 N ATOM 830 CA PHE A 59 7.933 -4.216 -4.467 1.00 0.00 C ATOM 831 C PHE A 59 7.279 -5.577 -4.248 1.00 0.00 C ATOM 832 O PHE A 59 7.648 -6.334 -3.351 1.00 0.00 O ATOM 833 CB PHE A 59 9.453 -4.342 -4.338 1.00 0.00 C ATOM 834 CG PHE A 59 10.198 -3.130 -4.821 1.00 0.00 C ATOM 835 CD1 PHE A 59 10.350 -2.023 -4.003 1.00 0.00 C ATOM 836 CD2 PHE A 59 10.745 -3.099 -6.094 1.00 0.00 C ATOM 837 CE1 PHE A 59 11.036 -0.906 -4.444 1.00 0.00 C ATOM 838 CE2 PHE A 59 11.432 -1.985 -6.540 1.00 0.00 C ATOM 839 CZ PHE A 59 11.576 -0.887 -5.715 1.00 0.00 C ATOM 0 H PHE A 59 7.368 -3.570 -2.553 1.00 0.00 H new ATOM 0 HA PHE A 59 7.687 -3.872 -5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.707 -4.523 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.787 -5.213 -4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.928 -2.032 -3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.634 -3.954 -6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.149 -0.050 -3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 59 11.856 -1.974 -7.533 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.110 -0.015 -6.063 1.00 0.00 H new ATOM 849 N PRO A 60 6.282 -5.895 -5.087 1.00 0.00 N ATOM 850 CA PRO A 60 5.554 -7.164 -5.005 1.00 0.00 C ATOM 851 C PRO A 60 6.414 -8.353 -5.421 1.00 0.00 C ATOM 852 O PRO A 60 6.615 -8.602 -6.610 1.00 0.00 O ATOM 853 CB PRO A 60 4.396 -6.973 -5.988 1.00 0.00 C ATOM 854 CG PRO A 60 4.887 -5.956 -6.960 1.00 0.00 C ATOM 855 CD PRO A 60 5.788 -5.039 -6.179 1.00 0.00 C ATOM 0 HA PRO A 60 5.235 -7.386 -3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.143 -7.908 -6.488 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.496 -6.630 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.427 -6.429 -7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.057 -5.405 -7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.605 -4.659 -6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.247 -4.173 -5.797 1.00 0.00 H new ATOM 863 N LYS A 61 6.918 -9.086 -4.434 1.00 0.00 N ATOM 864 CA LYS A 61 7.755 -10.251 -4.696 1.00 0.00 C ATOM 865 C LYS A 61 6.986 -11.543 -4.440 1.00 0.00 C ATOM 866 O LYS A 61 6.232 -11.646 -3.473 1.00 0.00 O ATOM 867 CB LYS A 61 9.010 -10.210 -3.821 1.00 0.00 C ATOM 868 CG LYS A 61 9.851 -8.961 -4.022 1.00 0.00 C ATOM 869 CD LYS A 61 10.696 -9.054 -5.281 1.00 0.00 C ATOM 870 CE LYS A 61 11.414 -7.745 -5.569 1.00 0.00 C ATOM 871 NZ LYS A 61 12.550 -7.931 -6.514 1.00 0.00 N ATOM 0 H LYS A 61 6.761 -8.894 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 61 8.050 -10.227 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.715 -10.274 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.621 -11.087 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.200 -8.089 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.499 -8.815 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.427 -9.855 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.061 -9.316 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.708 -7.028 -5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.784 -7.321 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.938 -7.003 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.291 -8.500 -6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.214 -8.420 -7.368 1.00 0.00 H new ATOM 885 N GLY A 62 7.182 -12.526 -5.313 1.00 0.00 N ATOM 886 CA GLY A 62 6.501 -13.799 -5.162 1.00 0.00 C ATOM 887 C GLY A 62 5.060 -13.636 -4.719 1.00 0.00 C ATOM 888 O GLY A 62 4.185 -13.338 -5.531 1.00 0.00 O ATOM 0 H GLY A 62 7.800 -12.464 -6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.528 -14.337 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.035 -14.409 -4.434 1.00 0.00 H new ATOM 892 N GLU A 63 4.814 -13.834 -3.428 1.00 0.00 N ATOM 893 CA GLU A 63 3.469 -13.709 -2.880 1.00 0.00 C ATOM 894 C GLU A 63 3.471 -12.847 -1.621 1.00 0.00 C ATOM 895 O GLU A 63 2.799 -13.161 -0.639 1.00 0.00 O ATOM 896 CB GLU A 63 2.893 -15.091 -2.563 1.00 0.00 C ATOM 897 CG GLU A 63 1.405 -15.076 -2.258 1.00 0.00 C ATOM 898 CD GLU A 63 0.623 -14.198 -3.215 1.00 0.00 C ATOM 899 OE1 GLU A 63 0.259 -14.685 -4.306 1.00 0.00 O ATOM 900 OE2 GLU A 63 0.374 -13.022 -2.873 1.00 0.00 O ATOM 0 H GLU A 63 5.528 -14.081 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 63 2.843 -13.225 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.075 -15.754 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.426 -15.510 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.018 -16.094 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.250 -14.723 -1.238 1.00 0.00 H new ATOM 907 N ASP A 64 4.232 -11.759 -1.658 1.00 0.00 N ATOM 908 CA ASP A 64 4.323 -10.849 -0.522 1.00 0.00 C ATOM 909 C ASP A 64 4.492 -9.408 -0.991 1.00 0.00 C ATOM 910 O ASP A 64 4.498 -9.131 -2.191 1.00 0.00 O ATOM 911 CB ASP A 64 5.492 -11.245 0.382 1.00 0.00 C ATOM 912 CG ASP A 64 5.125 -12.350 1.352 1.00 0.00 C ATOM 913 OD1 ASP A 64 4.412 -12.064 2.337 1.00 0.00 O ATOM 914 OD2 ASP A 64 5.550 -13.502 1.126 1.00 0.00 O ATOM 0 H ASP A 64 4.795 -11.485 -2.463 1.00 0.00 H new ATOM 0 HA ASP A 64 3.394 -10.920 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.330 -11.570 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.827 -10.371 0.941 1.00 0.00 H new ATOM 919 N PHE A 65 4.628 -8.492 -0.038 1.00 0.00 N ATOM 920 CA PHE A 65 4.795 -7.078 -0.353 1.00 0.00 C ATOM 921 C PHE A 65 5.975 -6.486 0.411 1.00 0.00 C ATOM 922 O PHE A 65 5.888 -6.239 1.615 1.00 0.00 O ATOM 923 CB PHE A 65 3.517 -6.306 -0.021 1.00 0.00 C ATOM 924 CG PHE A 65 2.438 -6.457 -1.055 1.00 0.00 C ATOM 925 CD1 PHE A 65 2.527 -5.796 -2.269 1.00 0.00 C ATOM 926 CD2 PHE A 65 1.335 -7.260 -0.812 1.00 0.00 C ATOM 927 CE1 PHE A 65 1.536 -5.933 -3.223 1.00 0.00 C ATOM 928 CE2 PHE A 65 0.342 -7.401 -1.763 1.00 0.00 C ATOM 929 CZ PHE A 65 0.442 -6.736 -2.969 1.00 0.00 C ATOM 0 H PHE A 65 4.626 -8.704 0.960 1.00 0.00 H new ATOM 0 HA PHE A 65 4.997 -6.990 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.136 -6.647 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.759 -5.249 0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.380 -5.166 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.250 -7.781 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.617 -5.413 -4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.512 -8.031 -1.563 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.334 -6.844 -3.712 1.00 0.00 H new ATOM 939 N TYR A 66 7.077 -6.261 -0.295 1.00 0.00 N ATOM 940 CA TYR A 66 8.276 -5.700 0.317 1.00 0.00 C ATOM 941 C TYR A 66 8.352 -4.194 0.085 1.00 0.00 C ATOM 942 O TYR A 66 8.254 -3.722 -1.048 1.00 0.00 O ATOM 943 CB TYR A 66 9.526 -6.378 -0.247 1.00 0.00 C ATOM 944 CG TYR A 66 9.643 -7.839 0.126 1.00 0.00 C ATOM 945 CD1 TYR A 66 8.833 -8.796 -0.473 1.00 0.00 C ATOM 946 CD2 TYR A 66 10.564 -8.261 1.077 1.00 0.00 C ATOM 947 CE1 TYR A 66 8.936 -10.131 -0.134 1.00 0.00 C ATOM 948 CE2 TYR A 66 10.675 -9.595 1.420 1.00 0.00 C ATOM 949 CZ TYR A 66 9.859 -10.526 0.813 1.00 0.00 C ATOM 950 OH TYR A 66 9.965 -11.855 1.151 1.00 0.00 O ATOM 0 H TYR A 66 7.165 -6.458 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 66 8.225 -5.882 1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.519 -6.288 -1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 66 10.409 -5.848 0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.111 -8.491 -1.216 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.204 -7.534 1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.298 -10.862 -0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.397 -9.907 2.160 1.00 0.00 H new ATOM 0 HH TYR A 66 10.662 -11.965 1.831 1.00 0.00 H new ATOM 960 N CYS A 67 8.528 -3.444 1.168 1.00 0.00 N ATOM 961 CA CYS A 67 8.618 -1.991 1.086 1.00 0.00 C ATOM 962 C CYS A 67 9.955 -1.562 0.488 1.00 0.00 C ATOM 963 O CYS A 67 10.958 -2.266 0.613 1.00 0.00 O ATOM 964 CB CYS A 67 8.445 -1.370 2.473 1.00 0.00 C ATOM 965 SG CYS A 67 9.819 -1.712 3.619 1.00 0.00 S ATOM 0 H CYS A 67 8.611 -3.819 2.113 1.00 0.00 H new ATOM 0 HA CYS A 67 7.818 -1.638 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.337 -0.291 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.519 -1.741 2.912 1.00 0.00 H new ATOM 970 N VAL A 68 9.961 -0.403 -0.161 1.00 0.00 N ATOM 971 CA VAL A 68 11.174 0.122 -0.778 1.00 0.00 C ATOM 972 C VAL A 68 12.410 -0.258 0.031 1.00 0.00 C ATOM 973 O VAL A 68 13.227 -1.069 -0.406 1.00 0.00 O ATOM 974 CB VAL A 68 11.116 1.655 -0.916 1.00 0.00 C ATOM 975 CG1 VAL A 68 12.494 2.215 -1.233 1.00 0.00 C ATOM 976 CG2 VAL A 68 10.110 2.054 -1.985 1.00 0.00 C ATOM 0 H VAL A 68 9.140 0.191 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 68 11.242 -0.322 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 68 10.789 2.077 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.433 3.299 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.185 1.958 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.853 1.789 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.081 3.140 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.405 1.623 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.122 1.685 -1.710 1.00 0.00 H new ATOM 986 N THR A 69 12.541 0.334 1.214 1.00 0.00 N ATOM 987 CA THR A 69 13.677 0.059 2.084 1.00 0.00 C ATOM 988 C THR A 69 14.037 -1.422 2.067 1.00 0.00 C ATOM 989 O THR A 69 15.114 -1.804 1.608 1.00 0.00 O ATOM 990 CB THR A 69 13.390 0.489 3.535 1.00 0.00 C ATOM 991 OG1 THR A 69 13.176 1.904 3.594 1.00 0.00 O ATOM 992 CG2 THR A 69 14.543 0.107 4.451 1.00 0.00 C ATOM 0 H THR A 69 11.874 1.007 1.591 1.00 0.00 H new ATOM 0 HA THR A 69 14.517 0.639 1.700 1.00 0.00 H new ATOM 0 HB THR A 69 12.492 -0.028 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.993 2.169 4.520 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.317 0.421 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.684 -0.974 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 69 15.455 0.600 4.113 1.00 0.00 H new ATOM 1000 N CYS A 70 13.130 -2.253 2.569 1.00 0.00 N ATOM 1001 CA CYS A 70 13.351 -3.693 2.611 1.00 0.00 C ATOM 1002 C CYS A 70 13.917 -4.195 1.286 1.00 0.00 C ATOM 1003 O CYS A 70 14.881 -4.961 1.260 1.00 0.00 O ATOM 1004 CB CYS A 70 12.044 -4.422 2.930 1.00 0.00 C ATOM 1005 SG CYS A 70 11.722 -4.627 4.711 1.00 0.00 S ATOM 0 H CYS A 70 12.234 -1.953 2.953 1.00 0.00 H new ATOM 0 HA CYS A 70 14.076 -3.902 3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.216 -3.873 2.483 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.065 -5.405 2.460 1.00 0.00 H new ATOM 1010 N HIS A 71 13.310 -3.759 0.187 1.00 0.00 N ATOM 1011 CA HIS A 71 13.754 -4.163 -1.143 1.00 0.00 C ATOM 1012 C HIS A 71 15.103 -3.535 -1.480 1.00 0.00 C ATOM 1013 O HIS A 71 15.874 -4.085 -2.265 1.00 0.00 O ATOM 1014 CB HIS A 71 12.716 -3.765 -2.193 1.00 0.00 C ATOM 1015 CG HIS A 71 13.292 -3.570 -3.561 1.00 0.00 C ATOM 1016 ND1 HIS A 71 13.516 -4.610 -4.439 1.00 0.00 N ATOM 1017 CD2 HIS A 71 13.690 -2.447 -4.203 1.00 0.00 C ATOM 1018 CE1 HIS A 71 14.028 -4.135 -5.560 1.00 0.00 C ATOM 1019 NE2 HIS A 71 14.143 -2.824 -5.443 1.00 0.00 N ATOM 0 H HIS A 71 12.510 -3.126 0.191 1.00 0.00 H new ATOM 0 HA HIS A 71 13.867 -5.247 -1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.945 -4.534 -2.239 1.00 0.00 H new ATOM 0 HB3 HIS A 71 12.228 -2.842 -1.878 1.00 0.00 H new ATOM 0 HD1 HIS A 71 13.317 -5.593 -4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.657 -1.441 -3.812 1.00 0.00 H new ATOM 0 HE1 HIS A 71 14.305 -4.719 -6.425 1.00 0.00 H new ATOM 1028 N GLU A 72 15.378 -2.380 -0.882 1.00 0.00 N ATOM 1029 CA GLU A 72 16.634 -1.678 -1.121 1.00 0.00 C ATOM 1030 C GLU A 72 17.797 -2.396 -0.443 1.00 0.00 C ATOM 1031 O GLU A 72 18.857 -2.587 -1.040 1.00 0.00 O ATOM 1032 CB GLU A 72 16.542 -0.237 -0.613 1.00 0.00 C ATOM 1033 CG GLU A 72 15.739 0.679 -1.520 1.00 0.00 C ATOM 1034 CD GLU A 72 16.560 1.227 -2.670 1.00 0.00 C ATOM 1035 OE1 GLU A 72 17.318 2.195 -2.451 1.00 0.00 O ATOM 1036 OE2 GLU A 72 16.445 0.688 -3.791 1.00 0.00 O ATOM 0 H GLU A 72 14.749 -1.911 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 72 16.816 -1.666 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 72 16.090 -0.239 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.549 0.166 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.884 0.132 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.343 1.508 -0.934 1.00 0.00 H new ATOM 1043 N THR A 73 17.591 -2.791 0.809 1.00 0.00 N ATOM 1044 CA THR A 73 18.622 -3.486 1.571 1.00 0.00 C ATOM 1045 C THR A 73 18.650 -4.971 1.229 1.00 0.00 C ATOM 1046 O THR A 73 19.715 -5.589 1.184 1.00 0.00 O ATOM 1047 CB THR A 73 18.406 -3.324 3.087 1.00 0.00 C ATOM 1048 OG1 THR A 73 19.462 -3.973 3.804 1.00 0.00 O ATOM 1049 CG2 THR A 73 17.066 -3.909 3.508 1.00 0.00 C ATOM 0 H THR A 73 16.719 -2.642 1.317 1.00 0.00 H new ATOM 0 HA THR A 73 19.576 -3.034 1.298 1.00 0.00 H new ATOM 0 HB THR A 73 18.409 -2.259 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.318 -3.864 4.767 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.936 -3.783 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.263 -3.393 2.982 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.039 -4.970 3.261 1.00 0.00 H new ATOM 1057 N LYS A 74 17.474 -5.541 0.987 1.00 0.00 N ATOM 1058 CA LYS A 74 17.364 -6.954 0.647 1.00 0.00 C ATOM 1059 C LYS A 74 17.991 -7.237 -0.714 1.00 0.00 C ATOM 1060 O LYS A 74 18.959 -7.991 -0.818 1.00 0.00 O ATOM 1061 CB LYS A 74 15.895 -7.385 0.642 1.00 0.00 C ATOM 1062 CG LYS A 74 15.700 -8.876 0.425 1.00 0.00 C ATOM 1063 CD LYS A 74 14.320 -9.181 -0.135 1.00 0.00 C ATOM 1064 CE LYS A 74 13.924 -10.628 0.118 1.00 0.00 C ATOM 1065 NZ LYS A 74 13.021 -11.149 -0.945 1.00 0.00 N ATOM 0 H LYS A 74 16.583 -5.045 1.020 1.00 0.00 H new ATOM 0 HA LYS A 74 17.903 -7.526 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.438 -7.101 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 74 15.368 -6.840 -0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 74 16.462 -9.248 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.835 -9.403 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.586 -8.517 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.309 -8.981 -1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.820 -11.246 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.428 -10.705 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.227 -12.154 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.032 -11.044 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.173 -10.613 -1.823 1.00 0.00 H new ATOM 1079 N PHE A 75 17.435 -6.627 -1.756 1.00 0.00 N ATOM 1080 CA PHE A 75 17.942 -6.813 -3.111 1.00 0.00 C ATOM 1081 C PHE A 75 19.120 -5.882 -3.384 1.00 0.00 C ATOM 1082 O PHE A 75 20.272 -6.314 -3.412 1.00 0.00 O ATOM 1083 CB PHE A 75 16.831 -6.561 -4.132 1.00 0.00 C ATOM 1084 CG PHE A 75 15.789 -7.642 -4.164 1.00 0.00 C ATOM 1085 CD1 PHE A 75 15.950 -8.754 -4.974 1.00 0.00 C ATOM 1086 CD2 PHE A 75 14.648 -7.546 -3.384 1.00 0.00 C ATOM 1087 CE1 PHE A 75 14.994 -9.752 -5.005 1.00 0.00 C ATOM 1088 CE2 PHE A 75 13.688 -8.540 -3.411 1.00 0.00 C ATOM 1089 CZ PHE A 75 13.861 -9.644 -4.223 1.00 0.00 C ATOM 0 H PHE A 75 16.633 -6.000 -1.688 1.00 0.00 H new ATOM 0 HA PHE A 75 18.287 -7.843 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 75 16.349 -5.610 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 75 17.274 -6.466 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 75 16.833 -8.842 -5.589 1.00 0.00 H new ATOM 0 HD2 PHE A 75 14.507 -6.685 -2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 75 15.133 -10.615 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 75 12.803 -8.454 -2.798 1.00 0.00 H new ATOM 0 HZ PHE A 75 13.112 -10.421 -4.246 1.00 0.00 H new ATOM 1099 N ALA A 76 18.821 -4.603 -3.584 1.00 0.00 N ATOM 1100 CA ALA A 76 19.854 -3.610 -3.853 1.00 0.00 C ATOM 1101 C ALA A 76 20.955 -3.665 -2.800 1.00 0.00 C ATOM 1102 O ALA A 76 20.888 -4.454 -1.858 1.00 0.00 O ATOM 1103 CB ALA A 76 19.245 -2.217 -3.912 1.00 0.00 C ATOM 0 H ALA A 76 17.872 -4.230 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 76 20.301 -3.839 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 76 20.028 -1.486 -4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.500 -2.179 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.770 -1.987 -2.958 1.00 0.00 H new ATOM 1109 N SER A 77 21.969 -2.820 -2.966 1.00 0.00 N ATOM 1110 CA SER A 77 23.087 -2.776 -2.031 1.00 0.00 C ATOM 1111 C SER A 77 23.292 -1.361 -1.496 1.00 0.00 C ATOM 1112 O SER A 77 22.959 -0.381 -2.160 1.00 0.00 O ATOM 1113 CB SER A 77 24.367 -3.267 -2.710 1.00 0.00 C ATOM 1114 OG SER A 77 24.213 -4.591 -3.191 1.00 0.00 O ATOM 0 H SER A 77 22.039 -2.158 -3.739 1.00 0.00 H new ATOM 0 HA SER A 77 22.854 -3.433 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 77 24.621 -2.604 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 77 25.196 -3.228 -2.003 1.00 0.00 H new ATOM 0 HG SER A 77 25.044 -4.881 -3.622 1.00 0.00 H new ATOM 1120 N GLY A 78 23.844 -1.265 -0.290 1.00 0.00 N ATOM 1121 CA GLY A 78 24.084 0.032 0.314 1.00 0.00 C ATOM 1122 C GLY A 78 24.722 -0.077 1.685 1.00 0.00 C ATOM 1123 O GLY A 78 25.795 -0.659 1.850 1.00 0.00 O ATOM 0 H GLY A 78 24.129 -2.062 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 78 24.730 0.619 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 78 23.140 0.571 0.397 1.00 0.00 H new ATOM 1127 N PRO A 79 24.056 0.495 2.699 1.00 0.00 N ATOM 1128 CA PRO A 79 24.547 0.474 4.080 1.00 0.00 C ATOM 1129 C PRO A 79 24.485 -0.919 4.697 1.00 0.00 C ATOM 1130 O PRO A 79 23.726 -1.775 4.244 1.00 0.00 O ATOM 1131 CB PRO A 79 23.594 1.424 4.810 1.00 0.00 C ATOM 1132 CG PRO A 79 22.341 1.397 4.003 1.00 0.00 C ATOM 1133 CD PRO A 79 22.772 1.206 2.576 1.00 0.00 C ATOM 0 HA PRO A 79 25.595 0.767 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 79 23.413 1.095 5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.006 2.431 4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 79 21.687 0.587 4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 79 21.781 2.325 4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.044 0.625 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 79 22.888 2.159 2.060 1.00 0.00 H new ATOM 1141 N SER A 80 25.289 -1.139 5.732 1.00 0.00 N ATOM 1142 CA SER A 80 25.327 -2.431 6.409 1.00 0.00 C ATOM 1143 C SER A 80 25.671 -2.260 7.885 1.00 0.00 C ATOM 1144 O SER A 80 26.142 -1.204 8.307 1.00 0.00 O ATOM 1145 CB SER A 80 26.350 -3.351 5.738 1.00 0.00 C ATOM 1146 OG SER A 80 26.029 -3.562 4.375 1.00 0.00 O ATOM 0 H SER A 80 25.923 -0.440 6.120 1.00 0.00 H new ATOM 0 HA SER A 80 24.338 -2.883 6.334 1.00 0.00 H new ATOM 0 HB2 SER A 80 27.345 -2.913 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 80 26.381 -4.307 6.260 1.00 0.00 H new ATOM 0 HG SER A 80 26.698 -4.151 3.969 1.00 0.00 H new ATOM 1152 N SER A 81 25.431 -3.308 8.667 1.00 0.00 N ATOM 1153 CA SER A 81 25.710 -3.275 10.098 1.00 0.00 C ATOM 1154 C SER A 81 27.148 -3.700 10.380 1.00 0.00 C ATOM 1155 O SER A 81 27.741 -3.299 11.381 1.00 0.00 O ATOM 1156 CB SER A 81 24.739 -4.186 10.850 1.00 0.00 C ATOM 1157 OG SER A 81 25.008 -5.551 10.580 1.00 0.00 O ATOM 0 H SER A 81 25.044 -4.191 8.333 1.00 0.00 H new ATOM 0 HA SER A 81 25.577 -2.251 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 81 24.818 -4.001 11.921 1.00 0.00 H new ATOM 0 HB3 SER A 81 23.715 -3.950 10.560 1.00 0.00 H new ATOM 0 HG SER A 81 24.375 -6.113 11.074 1.00 0.00 H new ATOM 1163 N GLY A 82 27.702 -4.518 9.490 1.00 0.00 N ATOM 1164 CA GLY A 82 29.066 -4.986 9.661 1.00 0.00 C ATOM 1165 C GLY A 82 30.088 -3.896 9.407 1.00 0.00 C ATOM 1166 O GLY A 82 30.370 -3.598 8.247 1.00 0.00 O ATOM 0 H GLY A 82 27.231 -4.865 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 82 29.191 -5.369 10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 82 29.250 -5.818 8.981 1.00 0.00 H new TER 1170 GLY A 82 HETATM 1171 ZN ZN A 201 -8.421 -2.596 4.011 1.00 0.00 ZN HETATM 1172 ZN ZN A 401 9.715 -3.519 4.956 1.00 0.00 ZN