USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 425 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 SER OG : rot 180:sc= 0.633 USER MOD Set 1.2: A 15 SER OG : rot -62:sc= 0.712 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.191 X(o=0.19,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -158:sc= -0.0654 (180deg=-0.469) USER MOD Single : A 33 HIS : no HD1:sc= -0.282 K(o=-0.28,f=-4.2!) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.0186 (180deg=-0.317) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.45 K(o=-1.5,f=-5.4!) USER MOD Single : A 50 TYR OH : rot 101:sc= 0.502 USER MOD Single : A 51 LYS NZ :NH3+ -120:sc=-0.00754 (180deg=-0.196) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 57 ASN : amide:sc= -0.492 K(o=-0.49,f=-1.8!) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.307) USER MOD Single : A 59 SER OG : rot 40:sc= 0.536 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00288 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.353 30.172 3.955 1.00 0.00 N ATOM 2 CA GLY A 1 -8.408 28.815 3.445 1.00 0.00 C ATOM 3 C GLY A 1 -7.030 28.220 3.230 1.00 0.00 C ATOM 4 O GLY A 1 -6.161 28.851 2.628 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.319 30.534 4.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.855 30.180 4.868 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.845 30.777 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.965 28.190 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.955 28.806 2.502 1.00 0.00 H new ATOM 8 N SER A 2 -6.829 27.003 3.725 1.00 0.00 N ATOM 9 CA SER A 2 -5.545 26.325 3.589 1.00 0.00 C ATOM 10 C SER A 2 -5.730 24.811 3.566 1.00 0.00 C ATOM 11 O SER A 2 -6.319 24.232 4.479 1.00 0.00 O ATOM 12 CB SER A 2 -4.612 26.719 4.736 1.00 0.00 C ATOM 13 OG SER A 2 -4.388 28.118 4.753 1.00 0.00 O ATOM 0 H SER A 2 -7.539 26.466 4.224 1.00 0.00 H new ATOM 0 HA SER A 2 -5.098 26.633 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.045 26.405 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.661 26.196 4.631 1.00 0.00 H new ATOM 0 HG SER A 2 -3.790 28.345 5.496 1.00 0.00 H new ATOM 19 N SER A 3 -5.222 24.175 2.515 1.00 0.00 N ATOM 20 CA SER A 3 -5.333 22.728 2.370 1.00 0.00 C ATOM 21 C SER A 3 -4.764 22.014 3.592 1.00 0.00 C ATOM 22 O SER A 3 -5.436 21.193 4.214 1.00 0.00 O ATOM 23 CB SER A 3 -4.605 22.264 1.108 1.00 0.00 C ATOM 24 OG SER A 3 -3.273 22.747 1.081 1.00 0.00 O ATOM 0 H SER A 3 -4.730 24.639 1.752 1.00 0.00 H new ATOM 0 HA SER A 3 -6.390 22.476 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.601 21.175 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.140 22.615 0.226 1.00 0.00 H new ATOM 0 HG SER A 3 -2.828 22.435 0.265 1.00 0.00 H new ATOM 30 N GLY A 4 -3.518 22.334 3.929 1.00 0.00 N ATOM 31 CA GLY A 4 -2.877 21.714 5.075 1.00 0.00 C ATOM 32 C GLY A 4 -2.746 20.211 4.923 1.00 0.00 C ATOM 33 O GLY A 4 -2.742 19.691 3.808 1.00 0.00 O ATOM 0 H GLY A 4 -2.941 23.011 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.888 22.150 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.452 21.937 5.974 1.00 0.00 H new ATOM 37 N SER A 5 -2.638 19.512 6.048 1.00 0.00 N ATOM 38 CA SER A 5 -2.500 18.060 6.036 1.00 0.00 C ATOM 39 C SER A 5 -3.632 17.414 5.243 1.00 0.00 C ATOM 40 O SER A 5 -4.741 17.243 5.750 1.00 0.00 O ATOM 41 CB SER A 5 -2.488 17.516 7.465 1.00 0.00 C ATOM 42 OG SER A 5 -1.279 17.846 8.126 1.00 0.00 O ATOM 0 H SER A 5 -2.643 19.927 6.980 1.00 0.00 H new ATOM 0 HA SER A 5 -1.554 17.813 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.333 17.924 8.020 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.612 16.433 7.446 1.00 0.00 H new ATOM 0 HG SER A 5 -1.297 17.488 9.038 1.00 0.00 H new ATOM 48 N SER A 6 -3.344 17.058 3.995 1.00 0.00 N ATOM 49 CA SER A 6 -4.338 16.434 3.130 1.00 0.00 C ATOM 50 C SER A 6 -4.213 14.914 3.166 1.00 0.00 C ATOM 51 O SER A 6 -3.129 14.365 2.973 1.00 0.00 O ATOM 52 CB SER A 6 -4.182 16.936 1.693 1.00 0.00 C ATOM 53 OG SER A 6 -5.258 16.501 0.881 1.00 0.00 O ATOM 0 H SER A 6 -2.431 17.191 3.561 1.00 0.00 H new ATOM 0 HA SER A 6 -5.327 16.708 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.136 18.025 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.241 16.575 1.279 1.00 0.00 H new ATOM 0 HG SER A 6 -5.136 16.836 -0.032 1.00 0.00 H new ATOM 59 N GLY A 7 -5.331 14.239 3.415 1.00 0.00 N ATOM 60 CA GLY A 7 -5.326 12.789 3.472 1.00 0.00 C ATOM 61 C GLY A 7 -4.428 12.256 4.571 1.00 0.00 C ATOM 62 O GLY A 7 -3.210 12.424 4.521 1.00 0.00 O ATOM 0 H GLY A 7 -6.241 14.671 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.343 12.431 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.996 12.392 2.512 1.00 0.00 H new ATOM 66 N GLN A 8 -5.030 11.612 5.565 1.00 0.00 N ATOM 67 CA GLN A 8 -4.276 11.054 6.681 1.00 0.00 C ATOM 68 C GLN A 8 -4.290 9.530 6.641 1.00 0.00 C ATOM 69 O GLN A 8 -5.330 8.914 6.409 1.00 0.00 O ATOM 70 CB GLN A 8 -4.853 11.546 8.010 1.00 0.00 C ATOM 71 CG GLN A 8 -4.223 12.838 8.506 1.00 0.00 C ATOM 72 CD GLN A 8 -4.446 13.064 9.988 1.00 0.00 C ATOM 73 OE1 GLN A 8 -5.550 13.404 10.417 1.00 0.00 O ATOM 74 NE2 GLN A 8 -3.398 12.877 10.781 1.00 0.00 N ATOM 0 H GLN A 8 -6.038 11.464 5.620 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.243 11.392 6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.927 11.695 7.897 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.716 10.772 8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.152 12.817 8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.637 13.678 7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.502 12.595 10.384 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.489 13.015 11.788 1.00 0.00 H new ATOM 83 N CYS A 9 -3.127 8.927 6.866 1.00 0.00 N ATOM 84 CA CYS A 9 -3.005 7.474 6.855 1.00 0.00 C ATOM 85 C CYS A 9 -3.579 6.869 8.133 1.00 0.00 C ATOM 86 O CYS A 9 -3.212 7.265 9.238 1.00 0.00 O ATOM 87 CB CYS A 9 -1.538 7.066 6.699 1.00 0.00 C ATOM 88 SG CYS A 9 -1.183 5.356 7.215 1.00 0.00 S ATOM 0 H CYS A 9 -2.256 9.422 7.058 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.574 7.093 6.007 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.247 7.187 5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.919 7.746 7.283 1.00 0.00 H new ATOM 93 N GLY A 10 -4.482 5.907 7.971 1.00 0.00 N ATOM 94 CA GLY A 10 -5.092 5.262 9.120 1.00 0.00 C ATOM 95 C GLY A 10 -4.071 4.603 10.025 1.00 0.00 C ATOM 96 O GLY A 10 -4.164 4.698 11.249 1.00 0.00 O ATOM 0 H GLY A 10 -4.802 5.563 7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.656 6.000 9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.805 4.513 8.776 1.00 0.00 H new ATOM 100 N ALA A 11 -3.096 3.931 9.423 1.00 0.00 N ATOM 101 CA ALA A 11 -2.053 3.253 10.184 1.00 0.00 C ATOM 102 C ALA A 11 -1.393 4.203 11.177 1.00 0.00 C ATOM 103 O ALA A 11 -1.423 3.973 12.387 1.00 0.00 O ATOM 104 CB ALA A 11 -1.012 2.663 9.243 1.00 0.00 C ATOM 0 H ALA A 11 -3.006 3.841 8.411 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.517 2.444 10.748 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.239 2.160 9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.490 1.945 8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.561 3.461 8.654 1.00 0.00 H new ATOM 110 N CYS A 12 -0.795 5.271 10.660 1.00 0.00 N ATOM 111 CA CYS A 12 -0.126 6.256 11.501 1.00 0.00 C ATOM 112 C CYS A 12 -0.786 7.625 11.367 1.00 0.00 C ATOM 113 O CYS A 12 -1.045 8.302 12.361 1.00 0.00 O ATOM 114 CB CYS A 12 1.355 6.353 11.129 1.00 0.00 C ATOM 115 SG CYS A 12 1.660 7.017 9.460 1.00 0.00 S ATOM 0 H CYS A 12 -0.760 5.476 9.662 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.213 5.931 12.538 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.861 6.986 11.858 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.803 5.362 11.202 1.00 0.00 H new ATOM 120 N GLY A 13 -1.057 8.026 10.128 1.00 0.00 N ATOM 121 CA GLY A 13 -1.686 9.312 9.886 1.00 0.00 C ATOM 122 C GLY A 13 -0.679 10.441 9.796 1.00 0.00 C ATOM 123 O GLY A 13 -0.719 11.381 10.590 1.00 0.00 O ATOM 0 H GLY A 13 -0.852 7.484 9.289 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.258 9.265 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.394 9.523 10.687 1.00 0.00 H new ATOM 127 N GLU A 14 0.228 10.349 8.829 1.00 0.00 N ATOM 128 CA GLU A 14 1.251 11.371 8.641 1.00 0.00 C ATOM 129 C GLU A 14 0.731 12.508 7.767 1.00 0.00 C ATOM 130 O GLU A 14 -0.359 12.422 7.202 1.00 0.00 O ATOM 131 CB GLU A 14 2.504 10.760 8.010 1.00 0.00 C ATOM 132 CG GLU A 14 3.465 10.160 9.023 1.00 0.00 C ATOM 133 CD GLU A 14 4.885 10.071 8.498 1.00 0.00 C ATOM 134 OE1 GLU A 14 5.193 9.097 7.781 1.00 0.00 O ATOM 135 OE2 GLU A 14 5.688 10.977 8.805 1.00 0.00 O ATOM 0 H GLU A 14 0.275 9.577 8.164 1.00 0.00 H new ATOM 0 HA GLU A 14 1.507 11.777 9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.204 9.986 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.025 11.529 7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.454 10.764 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.121 9.163 9.299 1.00 0.00 H new ATOM 142 N SER A 15 1.519 13.573 7.660 1.00 0.00 N ATOM 143 CA SER A 15 1.137 14.729 6.858 1.00 0.00 C ATOM 144 C SER A 15 1.335 14.449 5.372 1.00 0.00 C ATOM 145 O SER A 15 2.055 13.525 4.993 1.00 0.00 O ATOM 146 CB SER A 15 1.954 15.955 7.271 1.00 0.00 C ATOM 147 OG SER A 15 1.326 16.654 8.332 1.00 0.00 O ATOM 0 H SER A 15 2.426 13.659 8.119 1.00 0.00 H new ATOM 0 HA SER A 15 0.080 14.929 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.953 15.644 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.076 16.620 6.416 1.00 0.00 H new ATOM 0 HG SER A 15 0.448 16.974 8.038 1.00 0.00 H new ATOM 153 N TYR A 16 0.691 15.254 4.534 1.00 0.00 N ATOM 154 CA TYR A 16 0.793 15.092 3.089 1.00 0.00 C ATOM 155 C TYR A 16 2.202 14.666 2.686 1.00 0.00 C ATOM 156 O TYR A 16 3.120 15.484 2.642 1.00 0.00 O ATOM 157 CB TYR A 16 0.420 16.396 2.381 1.00 0.00 C ATOM 158 CG TYR A 16 0.597 16.342 0.880 1.00 0.00 C ATOM 159 CD1 TYR A 16 0.013 15.330 0.129 1.00 0.00 C ATOM 160 CD2 TYR A 16 1.347 17.303 0.214 1.00 0.00 C ATOM 161 CE1 TYR A 16 0.172 15.276 -1.243 1.00 0.00 C ATOM 162 CE2 TYR A 16 1.510 17.258 -1.157 1.00 0.00 C ATOM 163 CZ TYR A 16 0.921 16.243 -1.881 1.00 0.00 C ATOM 164 OH TYR A 16 1.082 16.193 -3.247 1.00 0.00 O ATOM 0 H TYR A 16 0.093 16.025 4.831 1.00 0.00 H new ATOM 0 HA TYR A 16 0.096 14.310 2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.618 16.639 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.031 17.205 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.575 14.572 0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.811 18.099 0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.287 14.481 -1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.096 18.014 -1.659 1.00 0.00 H new ATOM 0 HH TYR A 16 1.635 16.947 -3.539 1.00 0.00 H new ATOM 174 N ALA A 17 2.363 13.380 2.393 1.00 0.00 N ATOM 175 CA ALA A 17 3.658 12.845 1.991 1.00 0.00 C ATOM 176 C ALA A 17 3.738 12.681 0.477 1.00 0.00 C ATOM 177 O ALA A 17 2.925 11.981 -0.125 1.00 0.00 O ATOM 178 CB ALA A 17 3.916 11.514 2.683 1.00 0.00 C ATOM 0 H ALA A 17 1.613 12.689 2.426 1.00 0.00 H new ATOM 0 HA ALA A 17 4.428 13.555 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.886 11.125 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.910 11.658 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.136 10.804 2.408 1.00 0.00 H new ATOM 184 N ALA A 18 4.724 13.331 -0.132 1.00 0.00 N ATOM 185 CA ALA A 18 4.911 13.256 -1.575 1.00 0.00 C ATOM 186 C ALA A 18 5.971 12.221 -1.938 1.00 0.00 C ATOM 187 O ALA A 18 5.778 11.414 -2.848 1.00 0.00 O ATOM 188 CB ALA A 18 5.292 14.621 -2.130 1.00 0.00 C ATOM 0 H ALA A 18 5.406 13.915 0.352 1.00 0.00 H new ATOM 0 HA ALA A 18 3.967 12.944 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.429 14.550 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.500 15.337 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.221 14.955 -1.668 1.00 0.00 H new ATOM 194 N ASP A 19 7.090 12.251 -1.223 1.00 0.00 N ATOM 195 CA ASP A 19 8.181 11.315 -1.470 1.00 0.00 C ATOM 196 C ASP A 19 7.922 9.983 -0.773 1.00 0.00 C ATOM 197 O ASP A 19 8.822 9.407 -0.163 1.00 0.00 O ATOM 198 CB ASP A 19 9.507 11.907 -0.991 1.00 0.00 C ATOM 199 CG ASP A 19 9.713 13.330 -1.471 1.00 0.00 C ATOM 200 OD1 ASP A 19 9.354 13.623 -2.630 1.00 0.00 O ATOM 201 OD2 ASP A 19 10.235 14.151 -0.687 1.00 0.00 O ATOM 0 H ASP A 19 7.266 12.913 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 19 8.239 11.137 -2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.538 11.886 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.329 11.285 -1.346 1.00 0.00 H new ATOM 206 N GLU A 20 6.686 9.502 -0.867 1.00 0.00 N ATOM 207 CA GLU A 20 6.310 8.239 -0.243 1.00 0.00 C ATOM 208 C GLU A 20 5.418 7.418 -1.171 1.00 0.00 C ATOM 209 O GLU A 20 4.617 7.968 -1.926 1.00 0.00 O ATOM 210 CB GLU A 20 5.588 8.494 1.082 1.00 0.00 C ATOM 211 CG GLU A 20 6.389 9.336 2.060 1.00 0.00 C ATOM 212 CD GLU A 20 7.494 8.550 2.738 1.00 0.00 C ATOM 213 OE1 GLU A 20 7.215 7.905 3.770 1.00 0.00 O ATOM 214 OE2 GLU A 20 8.638 8.579 2.236 1.00 0.00 O ATOM 0 H GLU A 20 5.929 9.967 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 20 7.221 7.674 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.640 8.992 0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.353 7.537 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.824 10.185 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.719 9.741 2.818 1.00 0.00 H new ATOM 221 N PHE A 21 5.565 6.099 -1.108 1.00 0.00 N ATOM 222 CA PHE A 21 4.775 5.201 -1.943 1.00 0.00 C ATOM 223 C PHE A 21 3.440 4.876 -1.280 1.00 0.00 C ATOM 224 O PHE A 21 3.374 4.055 -0.365 1.00 0.00 O ATOM 225 CB PHE A 21 5.550 3.911 -2.216 1.00 0.00 C ATOM 226 CG PHE A 21 4.669 2.706 -2.381 1.00 0.00 C ATOM 227 CD1 PHE A 21 3.603 2.727 -3.266 1.00 0.00 C ATOM 228 CD2 PHE A 21 4.906 1.552 -1.651 1.00 0.00 C ATOM 229 CE1 PHE A 21 2.790 1.619 -3.421 1.00 0.00 C ATOM 230 CE2 PHE A 21 4.097 0.442 -1.801 1.00 0.00 C ATOM 231 CZ PHE A 21 3.037 0.476 -2.687 1.00 0.00 C ATOM 0 H PHE A 21 6.224 5.628 -0.488 1.00 0.00 H new ATOM 0 HA PHE A 21 4.577 5.704 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.148 4.040 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.245 3.733 -1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.405 3.619 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.733 1.520 -0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.963 1.648 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.293 -0.451 -1.226 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.403 -0.390 -2.805 1.00 0.00 H new ATOM 241 N TRP A 22 2.381 5.525 -1.748 1.00 0.00 N ATOM 242 CA TRP A 22 1.047 5.306 -1.200 1.00 0.00 C ATOM 243 C TRP A 22 0.375 4.110 -1.866 1.00 0.00 C ATOM 244 O TRP A 22 0.618 3.825 -3.039 1.00 0.00 O ATOM 245 CB TRP A 22 0.186 6.557 -1.382 1.00 0.00 C ATOM 246 CG TRP A 22 0.639 7.716 -0.547 1.00 0.00 C ATOM 247 CD1 TRP A 22 1.729 8.509 -0.766 1.00 0.00 C ATOM 248 CD2 TRP A 22 0.014 8.211 0.643 1.00 0.00 C ATOM 249 NE1 TRP A 22 1.819 9.466 0.215 1.00 0.00 N ATOM 250 CE2 TRP A 22 0.779 9.305 1.091 1.00 0.00 C ATOM 251 CE3 TRP A 22 -1.118 7.837 1.372 1.00 0.00 C ATOM 252 CZ2 TRP A 22 0.447 10.027 2.235 1.00 0.00 C ATOM 253 CZ3 TRP A 22 -1.446 8.553 2.507 1.00 0.00 C ATOM 254 CH2 TRP A 22 -0.667 9.639 2.929 1.00 0.00 C ATOM 0 H TRP A 22 2.419 6.207 -2.505 1.00 0.00 H new ATOM 0 HA TRP A 22 1.149 5.096 -0.135 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.198 6.848 -2.432 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.847 6.318 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.419 8.400 -1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.543 10.181 0.280 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.726 7.003 1.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.047 10.863 2.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -2.318 8.271 3.079 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.951 10.180 3.819 1.00 0.00 H new ATOM 265 N ILE A 23 -0.470 3.416 -1.112 1.00 0.00 N ATOM 266 CA ILE A 23 -1.177 2.252 -1.631 1.00 0.00 C ATOM 267 C ILE A 23 -2.635 2.584 -1.932 1.00 0.00 C ATOM 268 O ILE A 23 -3.224 3.464 -1.305 1.00 0.00 O ATOM 269 CB ILE A 23 -1.125 1.073 -0.641 1.00 0.00 C ATOM 270 CG1 ILE A 23 -2.269 1.176 0.369 1.00 0.00 C ATOM 271 CG2 ILE A 23 0.218 1.040 0.072 1.00 0.00 C ATOM 272 CD1 ILE A 23 -3.521 0.442 -0.058 1.00 0.00 C ATOM 0 H ILE A 23 -0.682 3.639 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.674 1.963 -2.554 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.241 0.144 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.934 0.779 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.510 2.227 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.240 0.202 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.016 0.924 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.362 1.971 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.290 0.558 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.881 0.854 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.296 -0.617 -0.188 1.00 0.00 H new ATOM 284 N CYS A 24 -3.211 1.872 -2.895 1.00 0.00 N ATOM 285 CA CYS A 24 -4.601 2.090 -3.279 1.00 0.00 C ATOM 286 C CYS A 24 -5.476 0.920 -2.842 1.00 0.00 C ATOM 287 O CYS A 24 -5.079 -0.241 -2.951 1.00 0.00 O ATOM 288 CB CYS A 24 -4.709 2.286 -4.792 1.00 0.00 C ATOM 289 SG CYS A 24 -3.900 3.784 -5.402 1.00 0.00 S ATOM 0 H CYS A 24 -2.737 1.140 -3.424 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.954 2.991 -2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.273 1.421 -5.292 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.763 2.316 -5.069 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.044 3.860 -6.692 1.00 0.00 H new ATOM 295 N CYS A 25 -6.668 1.232 -2.345 1.00 0.00 N ATOM 296 CA CYS A 25 -7.600 0.208 -1.888 1.00 0.00 C ATOM 297 C CYS A 25 -8.899 0.259 -2.687 1.00 0.00 C ATOM 298 O CYS A 25 -9.148 1.211 -3.427 1.00 0.00 O ATOM 299 CB CYS A 25 -7.897 0.386 -0.398 1.00 0.00 C ATOM 300 SG CYS A 25 -8.678 -1.062 0.383 1.00 0.00 S ATOM 0 H CYS A 25 -7.012 2.187 -2.248 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.136 -0.766 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.966 0.608 0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.548 1.250 -0.269 1.00 0.00 H new ATOM 305 N ASP A 26 -9.723 -0.772 -2.532 1.00 0.00 N ATOM 306 CA ASP A 26 -10.997 -0.845 -3.237 1.00 0.00 C ATOM 307 C ASP A 26 -12.164 -0.686 -2.268 1.00 0.00 C ATOM 308 O ASP A 26 -13.010 0.193 -2.437 1.00 0.00 O ATOM 309 CB ASP A 26 -11.115 -2.174 -3.985 1.00 0.00 C ATOM 310 CG ASP A 26 -12.379 -2.259 -4.819 1.00 0.00 C ATOM 311 OD1 ASP A 26 -13.347 -1.536 -4.503 1.00 0.00 O ATOM 312 OD2 ASP A 26 -12.400 -3.048 -5.786 1.00 0.00 O ATOM 0 H ASP A 26 -9.531 -1.568 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.033 -0.028 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.247 -2.302 -4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.101 -2.994 -3.267 1.00 0.00 H new ATOM 317 N LEU A 27 -12.205 -1.543 -1.254 1.00 0.00 N ATOM 318 CA LEU A 27 -13.269 -1.500 -0.258 1.00 0.00 C ATOM 319 C LEU A 27 -13.519 -0.070 0.211 1.00 0.00 C ATOM 320 O LEU A 27 -14.556 0.522 -0.091 1.00 0.00 O ATOM 321 CB LEU A 27 -12.912 -2.385 0.938 1.00 0.00 C ATOM 322 CG LEU A 27 -13.216 -3.876 0.783 1.00 0.00 C ATOM 323 CD1 LEU A 27 -12.213 -4.709 1.566 1.00 0.00 C ATOM 324 CD2 LEU A 27 -14.636 -4.181 1.239 1.00 0.00 C ATOM 0 H LEU A 27 -11.513 -2.276 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.181 -1.876 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.848 -2.271 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.448 -2.014 1.812 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.130 -4.137 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.445 -5.767 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.208 -4.513 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.267 -4.445 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.835 -5.246 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.749 -3.904 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.342 -3.611 0.635 1.00 0.00 H new ATOM 336 N CYS A 28 -12.561 0.481 0.948 1.00 0.00 N ATOM 337 CA CYS A 28 -12.674 1.843 1.458 1.00 0.00 C ATOM 338 C CYS A 28 -12.026 2.837 0.499 1.00 0.00 C ATOM 339 O CYS A 28 -12.512 3.954 0.326 1.00 0.00 O ATOM 340 CB CYS A 28 -12.024 1.949 2.838 1.00 0.00 C ATOM 341 SG CYS A 28 -10.218 1.708 2.829 1.00 0.00 S ATOM 0 H CYS A 28 -11.697 0.005 1.206 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.733 2.086 1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.247 2.930 3.259 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.475 1.209 3.498 1.00 0.00 H new ATOM 346 N GLU A 29 -10.926 2.423 -0.121 1.00 0.00 N ATOM 347 CA GLU A 29 -10.211 3.278 -1.061 1.00 0.00 C ATOM 348 C GLU A 29 -9.598 4.479 -0.347 1.00 0.00 C ATOM 349 O GLU A 29 -9.670 5.607 -0.833 1.00 0.00 O ATOM 350 CB GLU A 29 -11.153 3.755 -2.168 1.00 0.00 C ATOM 351 CG GLU A 29 -11.965 2.637 -2.801 1.00 0.00 C ATOM 352 CD GLU A 29 -12.478 2.998 -4.181 1.00 0.00 C ATOM 353 OE1 GLU A 29 -13.271 3.956 -4.287 1.00 0.00 O ATOM 354 OE2 GLU A 29 -12.086 2.322 -5.155 1.00 0.00 O ATOM 0 H GLU A 29 -10.510 1.501 0.011 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.406 2.692 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.835 4.500 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.568 4.251 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.350 1.740 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.809 2.396 -2.155 1.00 0.00 H new ATOM 361 N MET A 30 -8.996 4.227 0.811 1.00 0.00 N ATOM 362 CA MET A 30 -8.370 5.287 1.593 1.00 0.00 C ATOM 363 C MET A 30 -6.907 5.461 1.199 1.00 0.00 C ATOM 364 O MET A 30 -6.400 4.752 0.331 1.00 0.00 O ATOM 365 CB MET A 30 -8.475 4.978 3.088 1.00 0.00 C ATOM 366 CG MET A 30 -9.730 5.537 3.738 1.00 0.00 C ATOM 367 SD MET A 30 -9.597 7.298 4.101 1.00 0.00 S ATOM 368 CE MET A 30 -8.428 7.277 5.458 1.00 0.00 C ATOM 0 H MET A 30 -8.928 3.299 1.228 1.00 0.00 H new ATOM 0 HA MET A 30 -8.897 6.218 1.385 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.453 3.897 3.230 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.601 5.384 3.597 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.582 5.369 3.079 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.929 4.993 4.662 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.530 8.193 6.040 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.628 6.417 6.097 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.414 7.209 5.064 1.00 0.00 H new ATOM 378 N TRP A 31 -6.235 6.409 1.843 1.00 0.00 N ATOM 379 CA TRP A 31 -4.829 6.676 1.558 1.00 0.00 C ATOM 380 C TRP A 31 -3.935 6.107 2.654 1.00 0.00 C ATOM 381 O TRP A 31 -4.146 6.367 3.839 1.00 0.00 O ATOM 382 CB TRP A 31 -4.593 8.181 1.420 1.00 0.00 C ATOM 383 CG TRP A 31 -5.467 8.827 0.389 1.00 0.00 C ATOM 384 CD1 TRP A 31 -6.830 8.917 0.410 1.00 0.00 C ATOM 385 CD2 TRP A 31 -5.039 9.471 -0.816 1.00 0.00 C ATOM 386 NE1 TRP A 31 -7.275 9.579 -0.709 1.00 0.00 N ATOM 387 CE2 TRP A 31 -6.196 9.930 -1.477 1.00 0.00 C ATOM 388 CE3 TRP A 31 -3.792 9.708 -1.400 1.00 0.00 C ATOM 389 CZ2 TRP A 31 -6.140 10.608 -2.691 1.00 0.00 C ATOM 390 CZ3 TRP A 31 -3.738 10.381 -2.606 1.00 0.00 C ATOM 391 CH2 TRP A 31 -4.905 10.826 -3.240 1.00 0.00 C ATOM 0 H TRP A 31 -6.640 7.005 2.565 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.575 6.188 0.617 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.767 8.659 2.384 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -3.549 8.356 1.162 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.465 8.525 1.191 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.250 9.777 -0.932 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.886 9.371 -0.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.039 10.950 -3.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.779 10.567 -3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -4.829 11.351 -4.180 1.00 0.00 H new ATOM 402 N PHE A 32 -2.935 5.329 2.252 1.00 0.00 N ATOM 403 CA PHE A 32 -2.009 4.723 3.201 1.00 0.00 C ATOM 404 C PHE A 32 -0.591 4.697 2.636 1.00 0.00 C ATOM 405 O PHE A 32 -0.353 5.126 1.506 1.00 0.00 O ATOM 406 CB PHE A 32 -2.457 3.302 3.547 1.00 0.00 C ATOM 407 CG PHE A 32 -3.861 3.229 4.078 1.00 0.00 C ATOM 408 CD1 PHE A 32 -4.129 3.518 5.406 1.00 0.00 C ATOM 409 CD2 PHE A 32 -4.911 2.870 3.248 1.00 0.00 C ATOM 410 CE1 PHE A 32 -5.419 3.452 5.897 1.00 0.00 C ATOM 411 CE2 PHE A 32 -6.203 2.803 3.734 1.00 0.00 C ATOM 412 CZ PHE A 32 -6.458 3.093 5.061 1.00 0.00 C ATOM 0 H PHE A 32 -2.746 5.104 1.275 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.010 5.328 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.381 2.678 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.775 2.885 4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.321 3.798 6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.718 2.640 2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.615 3.681 6.934 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.013 2.524 3.077 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.467 3.039 5.443 1.00 0.00 H new ATOM 422 N HIS A 33 0.347 4.193 3.431 1.00 0.00 N ATOM 423 CA HIS A 33 1.742 4.111 3.012 1.00 0.00 C ATOM 424 C HIS A 33 2.178 2.657 2.858 1.00 0.00 C ATOM 425 O HIS A 33 1.995 1.844 3.763 1.00 0.00 O ATOM 426 CB HIS A 33 2.643 4.821 4.022 1.00 0.00 C ATOM 427 CG HIS A 33 2.078 6.115 4.522 1.00 0.00 C ATOM 428 ND1 HIS A 33 2.090 6.478 5.852 1.00 0.00 N ATOM 429 CD2 HIS A 33 1.483 7.136 3.861 1.00 0.00 C ATOM 430 CE1 HIS A 33 1.526 7.665 5.988 1.00 0.00 C ATOM 431 NE2 HIS A 33 1.149 8.086 4.794 1.00 0.00 N ATOM 0 H HIS A 33 0.167 3.835 4.369 1.00 0.00 H new ATOM 0 HA HIS A 33 1.834 4.605 2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.817 4.158 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.612 5.011 3.561 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.304 7.192 2.797 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.395 8.200 6.917 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.685 8.973 4.597 1.00 0.00 H new ATOM 439 N GLY A 34 2.756 2.336 1.703 1.00 0.00 N ATOM 440 CA GLY A 34 3.208 0.981 1.452 1.00 0.00 C ATOM 441 C GLY A 34 3.716 0.297 2.705 1.00 0.00 C ATOM 442 O GLY A 34 3.124 -0.676 3.174 1.00 0.00 O ATOM 0 H GLY A 34 2.919 2.991 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.387 0.400 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.001 0.999 0.705 1.00 0.00 H new ATOM 446 N LYS A 35 4.816 0.804 3.250 1.00 0.00 N ATOM 447 CA LYS A 35 5.405 0.236 4.457 1.00 0.00 C ATOM 448 C LYS A 35 4.342 0.009 5.526 1.00 0.00 C ATOM 449 O LYS A 35 4.291 -1.051 6.151 1.00 0.00 O ATOM 450 CB LYS A 35 6.499 1.160 4.998 1.00 0.00 C ATOM 451 CG LYS A 35 7.581 1.483 3.982 1.00 0.00 C ATOM 452 CD LYS A 35 8.237 0.222 3.447 1.00 0.00 C ATOM 453 CE LYS A 35 9.281 0.543 2.388 1.00 0.00 C ATOM 454 NZ LYS A 35 8.669 1.147 1.172 1.00 0.00 N ATOM 0 H LYS A 35 5.319 1.608 2.875 1.00 0.00 H new ATOM 0 HA LYS A 35 5.846 -0.727 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.042 2.090 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.958 0.694 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.149 2.048 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.336 2.120 4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.705 -0.322 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.476 -0.433 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.020 1.229 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.812 -0.368 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.358 1.133 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.827 0.601 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.394 2.130 1.373 1.00 0.00 H new ATOM 468 N CYS A 36 3.492 1.010 5.732 1.00 0.00 N ATOM 469 CA CYS A 36 2.429 0.920 6.724 1.00 0.00 C ATOM 470 C CYS A 36 1.514 -0.267 6.435 1.00 0.00 C ATOM 471 O CYS A 36 1.210 -1.062 7.325 1.00 0.00 O ATOM 472 CB CYS A 36 1.612 2.213 6.747 1.00 0.00 C ATOM 473 SG CYS A 36 2.228 3.461 7.922 1.00 0.00 S ATOM 0 H CYS A 36 3.520 1.894 5.224 1.00 0.00 H new ATOM 0 HA CYS A 36 2.890 0.772 7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.606 2.644 5.746 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.579 1.973 6.997 1.00 0.00 H new ATOM 478 N VAL A 37 1.079 -0.381 5.184 1.00 0.00 N ATOM 479 CA VAL A 37 0.201 -1.470 4.776 1.00 0.00 C ATOM 480 C VAL A 37 0.990 -2.752 4.537 1.00 0.00 C ATOM 481 O VAL A 37 0.444 -3.754 4.074 1.00 0.00 O ATOM 482 CB VAL A 37 -0.579 -1.114 3.497 1.00 0.00 C ATOM 483 CG1 VAL A 37 -1.430 0.127 3.718 1.00 0.00 C ATOM 484 CG2 VAL A 37 0.376 -0.915 2.330 1.00 0.00 C ATOM 0 H VAL A 37 1.321 0.268 4.435 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.506 -1.628 5.591 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.245 -1.943 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.974 0.363 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.140 -0.057 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.787 0.966 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.192 -0.664 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.068 -0.105 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.937 -1.834 2.158 1.00 0.00 H new ATOM 494 N LYS A 38 2.279 -2.715 4.855 1.00 0.00 N ATOM 495 CA LYS A 38 3.146 -3.874 4.677 1.00 0.00 C ATOM 496 C LYS A 38 3.275 -4.235 3.201 1.00 0.00 C ATOM 497 O LYS A 38 3.134 -5.398 2.822 1.00 0.00 O ATOM 498 CB LYS A 38 2.600 -5.070 5.460 1.00 0.00 C ATOM 499 CG LYS A 38 2.444 -4.804 6.947 1.00 0.00 C ATOM 500 CD LYS A 38 3.759 -4.985 7.687 1.00 0.00 C ATOM 501 CE LYS A 38 3.809 -4.139 8.950 1.00 0.00 C ATOM 502 NZ LYS A 38 3.134 -4.812 10.095 1.00 0.00 N ATOM 0 H LYS A 38 2.747 -1.894 5.238 1.00 0.00 H new ATOM 0 HA LYS A 38 4.135 -3.619 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.632 -5.353 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.267 -5.920 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.076 -3.789 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.696 -5.480 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.890 -6.036 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.587 -4.712 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.848 -3.935 9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.333 -3.177 8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.189 -4.204 10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.136 -4.984 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.604 -5.719 10.291 1.00 0.00 H new ATOM 516 N ILE A 39 3.544 -3.232 2.372 1.00 0.00 N ATOM 517 CA ILE A 39 3.695 -3.445 0.938 1.00 0.00 C ATOM 518 C ILE A 39 4.856 -2.630 0.380 1.00 0.00 C ATOM 519 O ILE A 39 5.070 -1.483 0.773 1.00 0.00 O ATOM 520 CB ILE A 39 2.409 -3.074 0.176 1.00 0.00 C ATOM 521 CG1 ILE A 39 1.278 -4.038 0.541 1.00 0.00 C ATOM 522 CG2 ILE A 39 2.660 -3.088 -1.324 1.00 0.00 C ATOM 523 CD1 ILE A 39 -0.011 -3.767 -0.204 1.00 0.00 C ATOM 0 H ILE A 39 3.662 -2.263 2.669 1.00 0.00 H new ATOM 0 HA ILE A 39 3.899 -4.506 0.796 1.00 0.00 H new ATOM 0 HB ILE A 39 2.110 -2.067 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.600 -5.058 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.089 -3.975 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.742 -2.824 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.439 -2.366 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.979 -4.084 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.768 -4.488 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.357 -2.758 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.162 -3.859 -1.276 1.00 0.00 H new ATOM 535 N THR A 40 5.604 -3.230 -0.542 1.00 0.00 N ATOM 536 CA THR A 40 6.743 -2.560 -1.156 1.00 0.00 C ATOM 537 C THR A 40 6.367 -1.960 -2.505 1.00 0.00 C ATOM 538 O THR A 40 5.454 -2.426 -3.186 1.00 0.00 O ATOM 539 CB THR A 40 7.926 -3.528 -1.349 1.00 0.00 C ATOM 540 OG1 THR A 40 7.523 -4.639 -2.156 1.00 0.00 O ATOM 541 CG2 THR A 40 8.441 -4.028 -0.008 1.00 0.00 C ATOM 0 H THR A 40 5.441 -4.179 -0.879 1.00 0.00 H new ATOM 0 HA THR A 40 7.043 -1.761 -0.478 1.00 0.00 H new ATOM 0 HB THR A 40 8.730 -2.989 -1.850 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.281 -5.249 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.276 -4.710 -0.170 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.775 -3.182 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.642 -4.552 0.516 1.00 0.00 H new ATOM 549 N PRO A 41 7.085 -0.899 -2.903 1.00 0.00 N ATOM 550 CA PRO A 41 6.845 -0.213 -4.176 1.00 0.00 C ATOM 551 C PRO A 41 7.248 -1.061 -5.377 1.00 0.00 C ATOM 552 O PRO A 41 6.922 -0.733 -6.518 1.00 0.00 O ATOM 553 CB PRO A 41 7.730 1.033 -4.080 1.00 0.00 C ATOM 554 CG PRO A 41 8.814 0.655 -3.131 1.00 0.00 C ATOM 555 CD PRO A 41 8.189 -0.289 -2.142 1.00 0.00 C ATOM 0 HA PRO A 41 5.788 0.008 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.135 1.307 -5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.166 1.892 -3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.643 0.179 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.218 1.535 -2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.901 -1.038 -1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.826 0.237 -1.259 1.00 0.00 H new ATOM 563 N ALA A 42 7.959 -2.153 -5.113 1.00 0.00 N ATOM 564 CA ALA A 42 8.404 -3.049 -6.173 1.00 0.00 C ATOM 565 C ALA A 42 7.378 -4.147 -6.430 1.00 0.00 C ATOM 566 O ALA A 42 7.283 -4.673 -7.540 1.00 0.00 O ATOM 567 CB ALA A 42 9.753 -3.657 -5.818 1.00 0.00 C ATOM 0 H ALA A 42 8.239 -2.438 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 42 8.510 -2.466 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.073 -4.324 -6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.488 -2.862 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.665 -4.221 -4.889 1.00 0.00 H new ATOM 573 N ARG A 43 6.613 -4.489 -5.399 1.00 0.00 N ATOM 574 CA ARG A 43 5.595 -5.527 -5.514 1.00 0.00 C ATOM 575 C ARG A 43 4.250 -4.927 -5.914 1.00 0.00 C ATOM 576 O ARG A 43 3.456 -5.565 -6.604 1.00 0.00 O ATOM 577 CB ARG A 43 5.455 -6.283 -4.191 1.00 0.00 C ATOM 578 CG ARG A 43 4.339 -7.315 -4.194 1.00 0.00 C ATOM 579 CD ARG A 43 4.084 -7.863 -2.799 1.00 0.00 C ATOM 580 NE ARG A 43 5.142 -8.771 -2.366 1.00 0.00 N ATOM 581 CZ ARG A 43 5.443 -8.994 -1.092 1.00 0.00 C ATOM 582 NH1 ARG A 43 4.770 -8.377 -0.130 1.00 0.00 N ATOM 583 NH2 ARG A 43 6.420 -9.835 -0.777 1.00 0.00 N ATOM 0 H ARG A 43 6.678 -4.063 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 43 5.909 -6.224 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.398 -6.781 -3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.273 -5.566 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.426 -6.864 -4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.600 -8.133 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.005 -7.036 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.128 -8.387 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 43 5.679 -9.261 -3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.019 -7.729 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.004 -8.550 0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.941 -10.311 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.650 -10.005 0.202 1.00 0.00 H new ATOM 597 N ALA A 44 4.003 -3.697 -5.475 1.00 0.00 N ATOM 598 CA ALA A 44 2.756 -3.011 -5.789 1.00 0.00 C ATOM 599 C ALA A 44 2.402 -3.161 -7.264 1.00 0.00 C ATOM 600 O ALA A 44 1.270 -3.497 -7.609 1.00 0.00 O ATOM 601 CB ALA A 44 2.855 -1.539 -5.415 1.00 0.00 C ATOM 0 H ALA A 44 4.650 -3.156 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 44 1.960 -3.471 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.917 -1.039 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.052 -1.447 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.667 -1.075 -5.975 1.00 0.00 H new ATOM 607 N GLU A 45 3.379 -2.910 -8.131 1.00 0.00 N ATOM 608 CA GLU A 45 3.168 -3.017 -9.570 1.00 0.00 C ATOM 609 C GLU A 45 2.425 -4.303 -9.917 1.00 0.00 C ATOM 610 O GLU A 45 1.674 -4.356 -10.892 1.00 0.00 O ATOM 611 CB GLU A 45 4.508 -2.974 -10.308 1.00 0.00 C ATOM 612 CG GLU A 45 5.588 -3.822 -9.658 1.00 0.00 C ATOM 613 CD GLU A 45 6.585 -4.367 -10.662 1.00 0.00 C ATOM 614 OE1 GLU A 45 6.165 -5.119 -11.566 1.00 0.00 O ATOM 615 OE2 GLU A 45 7.785 -4.042 -10.544 1.00 0.00 O ATOM 0 H GLU A 45 4.323 -2.632 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 45 2.559 -2.170 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.360 -3.313 -11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.851 -1.941 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.116 -3.224 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.122 -4.652 -9.127 1.00 0.00 H new ATOM 622 N HIS A 46 2.640 -5.340 -9.113 1.00 0.00 N ATOM 623 CA HIS A 46 1.990 -6.627 -9.335 1.00 0.00 C ATOM 624 C HIS A 46 0.645 -6.687 -8.617 1.00 0.00 C ATOM 625 O HIS A 46 -0.305 -7.298 -9.108 1.00 0.00 O ATOM 626 CB HIS A 46 2.890 -7.766 -8.854 1.00 0.00 C ATOM 627 CG HIS A 46 4.237 -7.781 -9.508 1.00 0.00 C ATOM 628 ND1 HIS A 46 4.514 -8.510 -10.645 1.00 0.00 N ATOM 629 CD2 HIS A 46 5.388 -7.150 -9.178 1.00 0.00 C ATOM 630 CE1 HIS A 46 5.777 -8.328 -10.986 1.00 0.00 C ATOM 631 NE2 HIS A 46 6.330 -7.506 -10.112 1.00 0.00 N ATOM 0 H HIS A 46 3.259 -5.314 -8.303 1.00 0.00 H new ATOM 0 HA HIS A 46 1.816 -6.739 -10.405 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.020 -7.685 -7.775 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.392 -8.717 -9.044 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.538 -6.489 -8.337 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.273 -8.775 -11.835 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.299 -7.188 -10.128 1.00 0.00 H new ATOM 640 N ILE A 47 0.573 -6.052 -7.452 1.00 0.00 N ATOM 641 CA ILE A 47 -0.656 -6.034 -6.668 1.00 0.00 C ATOM 642 C ILE A 47 -1.730 -5.192 -7.348 1.00 0.00 C ATOM 643 O ILE A 47 -1.524 -4.011 -7.630 1.00 0.00 O ATOM 644 CB ILE A 47 -0.410 -5.484 -5.250 1.00 0.00 C ATOM 645 CG1 ILE A 47 0.605 -6.358 -4.510 1.00 0.00 C ATOM 646 CG2 ILE A 47 -1.718 -5.412 -4.476 1.00 0.00 C ATOM 647 CD1 ILE A 47 1.063 -5.769 -3.194 1.00 0.00 C ATOM 0 H ILE A 47 1.350 -5.544 -7.030 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.999 -7.066 -6.595 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.003 -4.476 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.163 -7.338 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.473 -6.515 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.528 -5.022 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.413 -4.753 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.151 -6.409 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.781 -6.442 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.534 -4.802 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.204 -5.638 -2.535 1.00 0.00 H new ATOM 659 N LYS A 48 -2.879 -5.807 -7.607 1.00 0.00 N ATOM 660 CA LYS A 48 -3.989 -5.114 -8.252 1.00 0.00 C ATOM 661 C LYS A 48 -4.782 -4.296 -7.238 1.00 0.00 C ATOM 662 O LYS A 48 -4.784 -3.066 -7.286 1.00 0.00 O ATOM 663 CB LYS A 48 -4.911 -6.120 -8.944 1.00 0.00 C ATOM 664 CG LYS A 48 -5.843 -5.489 -9.964 1.00 0.00 C ATOM 665 CD LYS A 48 -6.862 -6.490 -10.483 1.00 0.00 C ATOM 666 CE LYS A 48 -6.289 -7.338 -11.608 1.00 0.00 C ATOM 667 NZ LYS A 48 -7.128 -8.537 -11.881 1.00 0.00 N ATOM 0 H LYS A 48 -3.066 -6.784 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.577 -4.435 -8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.303 -6.877 -9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.506 -6.634 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.360 -4.643 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.260 -5.097 -10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.186 -7.137 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.745 -5.960 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.211 -6.736 -12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.279 -7.653 -11.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.704 -9.089 -12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.182 -9.125 -11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.085 -8.236 -12.155 1.00 0.00 H new ATOM 681 N GLN A 49 -5.452 -4.986 -6.321 1.00 0.00 N ATOM 682 CA GLN A 49 -6.247 -4.322 -5.295 1.00 0.00 C ATOM 683 C GLN A 49 -5.988 -4.935 -3.923 1.00 0.00 C ATOM 684 O GLN A 49 -6.516 -5.999 -3.598 1.00 0.00 O ATOM 685 CB GLN A 49 -7.736 -4.414 -5.635 1.00 0.00 C ATOM 686 CG GLN A 49 -8.165 -3.470 -6.747 1.00 0.00 C ATOM 687 CD GLN A 49 -8.248 -2.027 -6.288 1.00 0.00 C ATOM 688 OE1 GLN A 49 -7.474 -1.589 -5.436 1.00 0.00 O ATOM 689 NE2 GLN A 49 -9.190 -1.280 -6.850 1.00 0.00 N ATOM 0 H GLN A 49 -5.460 -6.005 -6.268 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.952 -3.273 -5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.971 -5.437 -5.928 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.319 -4.197 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.459 -3.544 -7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.137 -3.782 -7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.810 -1.684 -7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.294 -0.302 -6.580 1.00 0.00 H new ATOM 698 N TYR A 50 -5.173 -4.258 -3.122 1.00 0.00 N ATOM 699 CA TYR A 50 -4.842 -4.738 -1.786 1.00 0.00 C ATOM 700 C TYR A 50 -5.834 -4.207 -0.755 1.00 0.00 C ATOM 701 O TYR A 50 -6.406 -3.130 -0.923 1.00 0.00 O ATOM 702 CB TYR A 50 -3.421 -4.316 -1.407 1.00 0.00 C ATOM 703 CG TYR A 50 -3.106 -4.497 0.060 1.00 0.00 C ATOM 704 CD1 TYR A 50 -2.689 -5.727 0.554 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.227 -3.440 0.954 1.00 0.00 C ATOM 706 CE1 TYR A 50 -2.401 -5.898 1.895 1.00 0.00 C ATOM 707 CE2 TYR A 50 -2.940 -3.601 2.295 1.00 0.00 C ATOM 708 CZ TYR A 50 -2.527 -4.832 2.761 1.00 0.00 C ATOM 709 OH TYR A 50 -2.242 -4.998 4.097 1.00 0.00 O ATOM 0 H TYR A 50 -4.729 -3.375 -3.375 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.901 -5.826 -1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.710 -4.895 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.279 -3.269 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.588 -6.564 -0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.551 -2.475 0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.079 -6.861 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.038 -2.768 2.975 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.347 -4.647 4.287 1.00 0.00 H new ATOM 719 N LYS A 51 -6.032 -4.972 0.313 1.00 0.00 N ATOM 720 CA LYS A 51 -6.953 -4.581 1.374 1.00 0.00 C ATOM 721 C LYS A 51 -6.203 -3.934 2.534 1.00 0.00 C ATOM 722 O LYS A 51 -5.372 -4.571 3.183 1.00 0.00 O ATOM 723 CB LYS A 51 -7.734 -5.799 1.874 1.00 0.00 C ATOM 724 CG LYS A 51 -9.016 -5.441 2.606 1.00 0.00 C ATOM 725 CD LYS A 51 -9.837 -6.677 2.930 1.00 0.00 C ATOM 726 CE LYS A 51 -10.257 -7.414 1.668 1.00 0.00 C ATOM 727 NZ LYS A 51 -11.477 -8.239 1.887 1.00 0.00 N ATOM 0 H LYS A 51 -5.567 -5.867 0.467 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.652 -3.852 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.977 -6.438 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.096 -6.381 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.774 -4.912 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.608 -4.760 1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.256 -7.345 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.723 -6.389 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.444 -6.693 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.441 -8.054 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.260 -9.238 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.792 -8.137 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.232 -7.919 1.247 1.00 0.00 H new ATOM 741 N CYS A 52 -6.502 -2.665 2.791 1.00 0.00 N ATOM 742 CA CYS A 52 -5.858 -1.931 3.873 1.00 0.00 C ATOM 743 C CYS A 52 -6.254 -2.503 5.231 1.00 0.00 C ATOM 744 O CYS A 52 -7.318 -3.102 5.393 1.00 0.00 O ATOM 745 CB CYS A 52 -6.229 -0.448 3.804 1.00 0.00 C ATOM 746 SG CYS A 52 -7.972 -0.099 4.206 1.00 0.00 S ATOM 0 H CYS A 52 -7.187 -2.123 2.264 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.779 -2.035 3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.590 0.108 4.491 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.017 -0.078 2.801 1.00 0.00 H new ATOM 751 N PRO A 53 -5.380 -2.316 6.230 1.00 0.00 N ATOM 752 CA PRO A 53 -5.617 -2.806 7.592 1.00 0.00 C ATOM 753 C PRO A 53 -6.734 -2.043 8.295 1.00 0.00 C ATOM 754 O PRO A 53 -7.076 -2.340 9.440 1.00 0.00 O ATOM 755 CB PRO A 53 -4.279 -2.563 8.294 1.00 0.00 C ATOM 756 CG PRO A 53 -3.650 -1.444 7.536 1.00 0.00 C ATOM 757 CD PRO A 53 -4.092 -1.612 6.108 1.00 0.00 C ATOM 0 HA PRO A 53 -5.935 -3.848 7.601 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.424 -2.299 9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.654 -3.456 8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.966 -0.479 7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.564 -1.481 7.615 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.205 -0.651 5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.371 -2.190 5.530 1.00 0.00 H new ATOM 765 N SER A 54 -7.299 -1.059 7.604 1.00 0.00 N ATOM 766 CA SER A 54 -8.376 -0.251 8.164 1.00 0.00 C ATOM 767 C SER A 54 -9.730 -0.919 7.940 1.00 0.00 C ATOM 768 O SER A 54 -10.528 -1.058 8.867 1.00 0.00 O ATOM 769 CB SER A 54 -8.374 1.145 7.539 1.00 0.00 C ATOM 770 OG SER A 54 -9.478 1.909 7.991 1.00 0.00 O ATOM 0 H SER A 54 -7.029 -0.802 6.655 1.00 0.00 H new ATOM 0 HA SER A 54 -8.208 -0.161 9.237 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.446 1.658 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.407 1.060 6.453 1.00 0.00 H new ATOM 0 HG SER A 54 -9.452 2.797 7.578 1.00 0.00 H new ATOM 776 N CYS A 55 -9.981 -1.330 6.702 1.00 0.00 N ATOM 777 CA CYS A 55 -11.237 -1.983 6.352 1.00 0.00 C ATOM 778 C CYS A 55 -11.151 -3.488 6.588 1.00 0.00 C ATOM 779 O CYS A 55 -12.029 -4.079 7.217 1.00 0.00 O ATOM 780 CB CYS A 55 -11.592 -1.704 4.891 1.00 0.00 C ATOM 781 SG CYS A 55 -10.308 -2.214 3.703 1.00 0.00 S ATOM 0 H CYS A 55 -9.331 -1.222 5.923 1.00 0.00 H new ATOM 0 HA CYS A 55 -12.020 -1.576 6.992 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -12.521 -2.220 4.649 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.779 -0.637 4.771 1.00 0.00 H new ATOM 786 N SER A 56 -10.088 -4.102 6.079 1.00 0.00 N ATOM 787 CA SER A 56 -9.888 -5.538 6.231 1.00 0.00 C ATOM 788 C SER A 56 -10.420 -6.021 7.577 1.00 0.00 C ATOM 789 O SER A 56 -10.938 -7.131 7.690 1.00 0.00 O ATOM 790 CB SER A 56 -8.404 -5.885 6.102 1.00 0.00 C ATOM 791 OG SER A 56 -7.712 -5.621 7.310 1.00 0.00 O ATOM 0 H SER A 56 -9.351 -3.627 5.557 1.00 0.00 H new ATOM 0 HA SER A 56 -10.441 -6.042 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.295 -6.937 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.961 -5.306 5.291 1.00 0.00 H new ATOM 0 HG SER A 56 -6.766 -5.852 7.202 1.00 0.00 H new ATOM 797 N ASN A 57 -10.287 -5.178 8.596 1.00 0.00 N ATOM 798 CA ASN A 57 -10.753 -5.518 9.935 1.00 0.00 C ATOM 799 C ASN A 57 -12.262 -5.738 9.947 1.00 0.00 C ATOM 800 O ASN A 57 -12.749 -6.756 10.440 1.00 0.00 O ATOM 801 CB ASN A 57 -10.380 -4.411 10.924 1.00 0.00 C ATOM 802 CG ASN A 57 -10.705 -4.783 12.358 1.00 0.00 C ATOM 803 OD1 ASN A 57 -11.352 -5.798 12.616 1.00 0.00 O ATOM 804 ND2 ASN A 57 -10.257 -3.959 13.298 1.00 0.00 N ATOM 0 H ASN A 57 -9.860 -4.255 8.520 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.266 -6.445 10.237 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.315 -4.196 10.840 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.911 -3.497 10.659 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.445 -4.156 14.281 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.725 -3.129 13.037 1.00 0.00 H new ATOM 811 N LYS A 58 -12.999 -4.778 9.399 1.00 0.00 N ATOM 812 CA LYS A 58 -14.453 -4.866 9.343 1.00 0.00 C ATOM 813 C LYS A 58 -14.896 -5.936 8.351 1.00 0.00 C ATOM 814 O LYS A 58 -14.075 -6.513 7.639 1.00 0.00 O ATOM 815 CB LYS A 58 -15.052 -3.513 8.951 1.00 0.00 C ATOM 816 CG LYS A 58 -14.786 -3.126 7.506 1.00 0.00 C ATOM 817 CD LYS A 58 -15.751 -2.053 7.030 1.00 0.00 C ATOM 818 CE LYS A 58 -15.200 -0.658 7.281 1.00 0.00 C ATOM 819 NZ LYS A 58 -15.496 -0.184 8.661 1.00 0.00 N ATOM 0 H LYS A 58 -12.612 -3.929 8.987 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.813 -5.143 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.129 -3.539 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.646 -2.742 9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.762 -2.766 7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.877 -4.006 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.945 -2.183 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.705 -2.166 7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.122 -0.659 7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.628 0.037 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.420 0.853 8.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.460 -0.470 8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.815 -0.603 9.326 1.00 0.00 H new ATOM 833 N SER A 59 -16.199 -6.196 8.310 1.00 0.00 N ATOM 834 CA SER A 59 -16.750 -7.199 7.406 1.00 0.00 C ATOM 835 C SER A 59 -17.646 -6.550 6.356 1.00 0.00 C ATOM 836 O SER A 59 -18.800 -6.222 6.625 1.00 0.00 O ATOM 837 CB SER A 59 -17.543 -8.244 8.194 1.00 0.00 C ATOM 838 OG SER A 59 -18.540 -7.633 8.993 1.00 0.00 O ATOM 0 H SER A 59 -16.893 -5.726 8.892 1.00 0.00 H new ATOM 0 HA SER A 59 -15.920 -7.690 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.007 -8.949 7.504 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.866 -8.817 8.827 1.00 0.00 H new ATOM 0 HG SER A 59 -18.955 -6.899 8.494 1.00 0.00 H new ATOM 844 N GLY A 60 -17.104 -6.369 5.155 1.00 0.00 N ATOM 845 CA GLY A 60 -17.866 -5.760 4.081 1.00 0.00 C ATOM 846 C GLY A 60 -17.895 -6.618 2.832 1.00 0.00 C ATOM 847 O GLY A 60 -17.279 -7.682 2.769 1.00 0.00 O ATOM 0 H GLY A 60 -16.151 -6.634 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -18.887 -5.582 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.436 -4.788 3.840 1.00 0.00 H new ATOM 851 N PRO A 61 -18.626 -6.154 1.807 1.00 0.00 N ATOM 852 CA PRO A 61 -18.750 -6.871 0.535 1.00 0.00 C ATOM 853 C PRO A 61 -17.451 -6.867 -0.263 1.00 0.00 C ATOM 854 O PRO A 61 -17.026 -5.829 -0.770 1.00 0.00 O ATOM 855 CB PRO A 61 -19.836 -6.089 -0.208 1.00 0.00 C ATOM 856 CG PRO A 61 -19.779 -4.718 0.371 1.00 0.00 C ATOM 857 CD PRO A 61 -19.386 -4.893 1.812 1.00 0.00 C ATOM 0 HA PRO A 61 -18.989 -7.924 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.648 -6.073 -1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -20.818 -6.540 -0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -19.054 -4.100 -0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -20.744 -4.219 0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.780 -4.060 2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -20.259 -4.952 2.462 1.00 0.00 H new ATOM 865 N SER A 62 -16.824 -8.034 -0.370 1.00 0.00 N ATOM 866 CA SER A 62 -15.570 -8.164 -1.103 1.00 0.00 C ATOM 867 C SER A 62 -15.831 -8.413 -2.586 1.00 0.00 C ATOM 868 O SER A 62 -16.878 -8.939 -2.963 1.00 0.00 O ATOM 869 CB SER A 62 -14.731 -9.305 -0.524 1.00 0.00 C ATOM 870 OG SER A 62 -15.486 -10.501 -0.440 1.00 0.00 O ATOM 0 H SER A 62 -17.164 -8.903 0.042 1.00 0.00 H new ATOM 0 HA SER A 62 -15.020 -7.229 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.853 -9.469 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.370 -9.029 0.467 1.00 0.00 H new ATOM 0 HG SER A 62 -14.927 -11.215 -0.069 1.00 0.00 H new ATOM 876 N SER A 63 -14.872 -8.029 -3.422 1.00 0.00 N ATOM 877 CA SER A 63 -14.998 -8.206 -4.864 1.00 0.00 C ATOM 878 C SER A 63 -16.383 -7.781 -5.344 1.00 0.00 C ATOM 879 O SER A 63 -16.995 -8.448 -6.177 1.00 0.00 O ATOM 880 CB SER A 63 -14.740 -9.665 -5.244 1.00 0.00 C ATOM 881 OG SER A 63 -13.508 -10.121 -4.712 1.00 0.00 O ATOM 0 H SER A 63 -13.999 -7.593 -3.126 1.00 0.00 H new ATOM 0 HA SER A 63 -14.254 -7.574 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.553 -10.290 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.730 -9.765 -6.329 1.00 0.00 H new ATOM 0 HG SER A 63 -13.368 -11.057 -4.968 1.00 0.00 H new ATOM 887 N GLY A 64 -16.870 -6.665 -4.811 1.00 0.00 N ATOM 888 CA GLY A 64 -18.179 -6.169 -5.196 1.00 0.00 C ATOM 889 C GLY A 64 -18.121 -5.262 -6.409 1.00 0.00 C ATOM 890 O GLY A 64 -17.123 -5.286 -7.128 1.00 0.00 O ATOM 0 H GLY A 64 -16.382 -6.095 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.836 -7.013 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -18.618 -5.625 -4.360 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 1.119 5.505 7.736 1.00 0.00 ZN HETATM 896 ZN ZN A 401 -9.474 -0.447 2.463 1.00 0.00 ZN