USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 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 NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 15 SER OG : rot 180:sc= 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 170:sc= -2.06! (180deg=-2.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 46 HIS : no HD1:sc= -2.93! K(o=-2.9!,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.24 K(o=-3.2,f=-4.4) USER MOD Single : A 50 TYR OH : rot 130:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= -1.63! (180deg=-1.65!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 170:sc= -0.859 USER MOD Single : A 57 ASN : amide:sc= -0.427 K(o=-0.43,f=0.63) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0667 (180deg=-0.511) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 7:sc= 0.279 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0614 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.880 29.841 10.109 1.00 0.00 N ATOM 2 CA GLY A 1 -11.393 28.483 9.954 1.00 0.00 C ATOM 3 C GLY A 1 -11.401 28.025 8.509 1.00 0.00 C ATOM 4 O GLY A 1 -12.443 27.639 7.979 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.855 30.106 11.114 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.277 30.490 9.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.858 29.901 9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.378 28.417 10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.010 27.809 10.549 1.00 0.00 H new ATOM 8 N SER A 2 -10.236 28.068 7.870 1.00 0.00 N ATOM 9 CA SER A 2 -10.114 27.660 6.476 1.00 0.00 C ATOM 10 C SER A 2 -10.184 26.141 6.346 1.00 0.00 C ATOM 11 O SER A 2 -9.207 25.439 6.605 1.00 0.00 O ATOM 12 CB SER A 2 -8.799 28.173 5.885 1.00 0.00 C ATOM 13 OG SER A 2 -8.698 27.850 4.509 1.00 0.00 O ATOM 0 H SER A 2 -9.364 28.381 8.296 1.00 0.00 H new ATOM 0 HA SER A 2 -10.947 28.094 5.923 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.736 29.254 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.959 27.738 6.427 1.00 0.00 H new ATOM 0 HG SER A 2 -7.850 28.190 4.155 1.00 0.00 H new ATOM 19 N SER A 3 -11.348 25.641 5.944 1.00 0.00 N ATOM 20 CA SER A 3 -11.549 24.206 5.783 1.00 0.00 C ATOM 21 C SER A 3 -11.185 23.761 4.370 1.00 0.00 C ATOM 22 O SER A 3 -12.029 23.747 3.475 1.00 0.00 O ATOM 23 CB SER A 3 -13.001 23.835 6.089 1.00 0.00 C ATOM 24 OG SER A 3 -13.371 24.255 7.391 1.00 0.00 O ATOM 0 H SER A 3 -12.166 26.209 5.724 1.00 0.00 H new ATOM 0 HA SER A 3 -10.894 23.692 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.660 24.296 5.354 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.130 22.756 6.001 1.00 0.00 H new ATOM 0 HG SER A 3 -14.304 24.008 7.562 1.00 0.00 H new ATOM 30 N GLY A 4 -9.921 23.397 4.177 1.00 0.00 N ATOM 31 CA GLY A 4 -9.466 22.957 2.871 1.00 0.00 C ATOM 32 C GLY A 4 -9.028 21.506 2.869 1.00 0.00 C ATOM 33 O GLY A 4 -8.980 20.863 3.917 1.00 0.00 O ATOM 0 H GLY A 4 -9.204 23.399 4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.268 23.092 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.635 23.585 2.548 1.00 0.00 H new ATOM 37 N SER A 5 -8.709 20.988 1.687 1.00 0.00 N ATOM 38 CA SER A 5 -8.278 19.601 1.551 1.00 0.00 C ATOM 39 C SER A 5 -7.149 19.286 2.528 1.00 0.00 C ATOM 40 O SER A 5 -6.447 20.183 2.993 1.00 0.00 O ATOM 41 CB SER A 5 -7.820 19.326 0.118 1.00 0.00 C ATOM 42 OG SER A 5 -7.733 17.933 -0.131 1.00 0.00 O ATOM 0 H SER A 5 -8.741 21.508 0.810 1.00 0.00 H new ATOM 0 HA SER A 5 -9.126 18.957 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.518 19.781 -0.584 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.849 19.790 -0.052 1.00 0.00 H new ATOM 0 HG SER A 5 -7.440 17.783 -1.054 1.00 0.00 H new ATOM 48 N SER A 6 -6.982 18.003 2.834 1.00 0.00 N ATOM 49 CA SER A 6 -5.941 17.568 3.758 1.00 0.00 C ATOM 50 C SER A 6 -5.781 16.051 3.721 1.00 0.00 C ATOM 51 O SER A 6 -6.651 15.312 4.181 1.00 0.00 O ATOM 52 CB SER A 6 -6.271 18.022 5.182 1.00 0.00 C ATOM 53 OG SER A 6 -5.158 17.853 6.042 1.00 0.00 O ATOM 0 H SER A 6 -7.554 17.248 2.456 1.00 0.00 H new ATOM 0 HA SER A 6 -5.001 18.023 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.571 19.070 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.118 17.451 5.562 1.00 0.00 H new ATOM 0 HG SER A 6 -5.394 18.152 6.945 1.00 0.00 H new ATOM 59 N GLY A 7 -4.662 15.593 3.167 1.00 0.00 N ATOM 60 CA GLY A 7 -4.407 14.168 3.078 1.00 0.00 C ATOM 61 C GLY A 7 -3.627 13.643 4.267 1.00 0.00 C ATOM 62 O GLY A 7 -2.486 14.044 4.494 1.00 0.00 O ATOM 0 H GLY A 7 -3.928 16.185 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.356 13.636 3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.854 13.958 2.163 1.00 0.00 H new ATOM 66 N GLN A 8 -4.244 12.745 5.029 1.00 0.00 N ATOM 67 CA GLN A 8 -3.600 12.168 6.203 1.00 0.00 C ATOM 68 C GLN A 8 -3.790 10.655 6.238 1.00 0.00 C ATOM 69 O GLN A 8 -4.915 10.161 6.311 1.00 0.00 O ATOM 70 CB GLN A 8 -4.163 12.794 7.480 1.00 0.00 C ATOM 71 CG GLN A 8 -3.414 14.039 7.928 1.00 0.00 C ATOM 72 CD GLN A 8 -4.210 14.876 8.910 1.00 0.00 C ATOM 73 OE1 GLN A 8 -5.206 15.502 8.545 1.00 0.00 O ATOM 74 NE2 GLN A 8 -3.773 14.893 10.164 1.00 0.00 N ATOM 0 H GLN A 8 -5.188 12.402 4.854 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.533 12.382 6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.211 13.048 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.134 12.055 8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.470 13.745 8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.168 14.645 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.943 14.359 10.422 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.267 15.440 10.869 1.00 0.00 H new ATOM 83 N CYS A 9 -2.681 9.923 6.186 1.00 0.00 N ATOM 84 CA CYS A 9 -2.724 8.467 6.211 1.00 0.00 C ATOM 85 C CYS A 9 -3.388 7.964 7.489 1.00 0.00 C ATOM 86 O CYS A 9 -2.971 8.306 8.595 1.00 0.00 O ATOM 87 CB CYS A 9 -1.311 7.892 6.097 1.00 0.00 C ATOM 88 SG CYS A 9 -1.186 6.131 6.548 1.00 0.00 S ATOM 0 H CYS A 9 -1.742 10.316 6.126 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.315 8.131 5.359 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.960 8.020 5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.643 8.468 6.737 1.00 0.00 H new ATOM 93 N GLY A 10 -4.427 7.148 7.329 1.00 0.00 N ATOM 94 CA GLY A 10 -5.132 6.611 8.478 1.00 0.00 C ATOM 95 C GLY A 10 -4.225 5.813 9.394 1.00 0.00 C ATOM 96 O GLY A 10 -4.306 5.932 10.616 1.00 0.00 O ATOM 0 H GLY A 10 -4.792 6.850 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.581 7.430 9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.948 5.975 8.135 1.00 0.00 H new ATOM 100 N ALA A 11 -3.361 4.996 8.803 1.00 0.00 N ATOM 101 CA ALA A 11 -2.435 4.175 9.573 1.00 0.00 C ATOM 102 C ALA A 11 -1.625 5.026 10.545 1.00 0.00 C ATOM 103 O ALA A 11 -1.674 4.818 11.758 1.00 0.00 O ATOM 104 CB ALA A 11 -1.509 3.408 8.642 1.00 0.00 C ATOM 0 H ALA A 11 -3.283 4.885 7.792 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.019 3.462 10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.823 2.799 9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.100 2.763 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.939 4.111 8.035 1.00 0.00 H new ATOM 110 N CYS A 12 -0.880 5.985 10.006 1.00 0.00 N ATOM 111 CA CYS A 12 -0.058 6.867 10.825 1.00 0.00 C ATOM 112 C CYS A 12 -0.450 8.327 10.614 1.00 0.00 C ATOM 113 O CYS A 12 -0.588 9.088 11.570 1.00 0.00 O ATOM 114 CB CYS A 12 1.422 6.673 10.494 1.00 0.00 C ATOM 115 SG CYS A 12 1.897 7.261 8.836 1.00 0.00 S ATOM 0 H CYS A 12 -0.829 6.171 9.004 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.226 6.611 11.871 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.021 7.196 11.239 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.666 5.614 10.576 1.00 0.00 H new ATOM 120 N GLY A 13 -0.630 8.709 9.353 1.00 0.00 N ATOM 121 CA GLY A 13 -1.004 10.076 9.039 1.00 0.00 C ATOM 122 C GLY A 13 0.189 11.009 8.998 1.00 0.00 C ATOM 123 O GLY A 13 0.156 12.095 9.577 1.00 0.00 O ATOM 0 H GLY A 13 -0.524 8.097 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.512 10.098 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.716 10.434 9.782 1.00 0.00 H new ATOM 127 N GLU A 14 1.247 10.586 8.313 1.00 0.00 N ATOM 128 CA GLU A 14 2.457 11.392 8.202 1.00 0.00 C ATOM 129 C GLU A 14 2.290 12.482 7.148 1.00 0.00 C ATOM 130 O GLU A 14 1.255 12.567 6.487 1.00 0.00 O ATOM 131 CB GLU A 14 3.655 10.507 7.851 1.00 0.00 C ATOM 132 CG GLU A 14 4.239 9.771 9.046 1.00 0.00 C ATOM 133 CD GLU A 14 5.189 10.633 9.854 1.00 0.00 C ATOM 134 OE1 GLU A 14 5.966 11.396 9.243 1.00 0.00 O ATOM 135 OE2 GLU A 14 5.154 10.545 11.100 1.00 0.00 O ATOM 0 H GLU A 14 1.291 9.690 7.827 1.00 0.00 H new ATOM 0 HA GLU A 14 2.636 11.868 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.350 9.778 7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.432 11.124 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.428 9.429 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.766 8.883 8.699 1.00 0.00 H new ATOM 142 N SER A 15 3.315 13.314 6.997 1.00 0.00 N ATOM 143 CA SER A 15 3.281 14.402 6.027 1.00 0.00 C ATOM 144 C SER A 15 3.459 13.870 4.608 1.00 0.00 C ATOM 145 O SER A 15 3.907 12.741 4.408 1.00 0.00 O ATOM 146 CB SER A 15 4.373 15.427 6.340 1.00 0.00 C ATOM 147 OG SER A 15 3.898 16.421 7.231 1.00 0.00 O ATOM 0 H SER A 15 4.180 13.255 7.534 1.00 0.00 H new ATOM 0 HA SER A 15 2.307 14.887 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.235 14.923 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.713 15.895 5.416 1.00 0.00 H new ATOM 0 HG SER A 15 4.615 17.063 7.417 1.00 0.00 H new ATOM 153 N TYR A 16 3.104 14.692 3.626 1.00 0.00 N ATOM 154 CA TYR A 16 3.221 14.305 2.226 1.00 0.00 C ATOM 155 C TYR A 16 4.685 14.191 1.812 1.00 0.00 C ATOM 156 O TYR A 16 5.470 15.120 2.004 1.00 0.00 O ATOM 157 CB TYR A 16 2.505 15.319 1.333 1.00 0.00 C ATOM 158 CG TYR A 16 2.120 14.768 -0.022 1.00 0.00 C ATOM 159 CD1 TYR A 16 0.915 14.102 -0.206 1.00 0.00 C ATOM 160 CD2 TYR A 16 2.962 14.914 -1.118 1.00 0.00 C ATOM 161 CE1 TYR A 16 0.560 13.596 -1.442 1.00 0.00 C ATOM 162 CE2 TYR A 16 2.615 14.413 -2.357 1.00 0.00 C ATOM 163 CZ TYR A 16 1.413 13.755 -2.514 1.00 0.00 C ATOM 164 OH TYR A 16 1.063 13.253 -3.747 1.00 0.00 O ATOM 0 H TYR A 16 2.733 15.630 3.775 1.00 0.00 H new ATOM 0 HA TYR A 16 2.751 13.329 2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.607 15.668 1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.150 16.186 1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.244 13.977 0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.904 15.428 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.380 13.079 -1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.281 14.536 -3.198 1.00 0.00 H new ATOM 0 HH TYR A 16 1.772 13.450 -4.394 1.00 0.00 H new ATOM 174 N ALA A 17 5.046 13.046 1.243 1.00 0.00 N ATOM 175 CA ALA A 17 6.414 12.810 0.800 1.00 0.00 C ATOM 176 C ALA A 17 6.445 12.298 -0.636 1.00 0.00 C ATOM 177 O ALA A 17 5.604 11.495 -1.038 1.00 0.00 O ATOM 178 CB ALA A 17 7.107 11.824 1.728 1.00 0.00 C ATOM 0 H ALA A 17 4.409 12.267 1.078 1.00 0.00 H new ATOM 0 HA ALA A 17 6.949 13.759 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.128 11.657 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.126 12.228 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.564 10.879 1.725 1.00 0.00 H new ATOM 184 N ALA A 18 7.421 12.769 -1.406 1.00 0.00 N ATOM 185 CA ALA A 18 7.562 12.358 -2.798 1.00 0.00 C ATOM 186 C ALA A 18 8.223 10.987 -2.900 1.00 0.00 C ATOM 187 O ALA A 18 7.801 10.142 -3.690 1.00 0.00 O ATOM 188 CB ALA A 18 8.364 13.392 -3.575 1.00 0.00 C ATOM 0 H ALA A 18 8.125 13.435 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 18 6.565 12.286 -3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.461 13.072 -4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.851 14.353 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.355 13.492 -3.132 1.00 0.00 H new ATOM 194 N ASP A 19 9.261 10.774 -2.099 1.00 0.00 N ATOM 195 CA ASP A 19 9.980 9.506 -2.100 1.00 0.00 C ATOM 196 C ASP A 19 9.238 8.460 -1.273 1.00 0.00 C ATOM 197 O ASP A 19 9.838 7.761 -0.457 1.00 0.00 O ATOM 198 CB ASP A 19 11.395 9.697 -1.553 1.00 0.00 C ATOM 199 CG ASP A 19 12.332 8.579 -1.967 1.00 0.00 C ATOM 200 OD1 ASP A 19 11.843 7.457 -2.215 1.00 0.00 O ATOM 201 OD2 ASP A 19 13.554 8.827 -2.044 1.00 0.00 O ATOM 0 H ASP A 19 9.623 11.464 -1.440 1.00 0.00 H new ATOM 0 HA ASP A 19 10.042 9.152 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.792 10.649 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.357 9.751 -0.465 1.00 0.00 H new ATOM 206 N GLU A 20 7.930 8.361 -1.489 1.00 0.00 N ATOM 207 CA GLU A 20 7.107 7.402 -0.761 1.00 0.00 C ATOM 208 C GLU A 20 5.980 6.872 -1.644 1.00 0.00 C ATOM 209 O GLU A 20 5.344 7.628 -2.378 1.00 0.00 O ATOM 210 CB GLU A 20 6.523 8.048 0.497 1.00 0.00 C ATOM 211 CG GLU A 20 7.526 8.187 1.630 1.00 0.00 C ATOM 212 CD GLU A 20 7.950 6.849 2.202 1.00 0.00 C ATOM 213 OE1 GLU A 20 7.082 5.961 2.339 1.00 0.00 O ATOM 214 OE2 GLU A 20 9.148 6.689 2.513 1.00 0.00 O ATOM 0 H GLU A 20 7.418 8.932 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 20 7.742 6.565 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.136 9.035 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.678 7.453 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.406 8.718 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.091 8.795 2.423 1.00 0.00 H new ATOM 221 N PHE A 21 5.739 5.567 -1.566 1.00 0.00 N ATOM 222 CA PHE A 21 4.691 4.935 -2.358 1.00 0.00 C ATOM 223 C PHE A 21 3.426 4.739 -1.528 1.00 0.00 C ATOM 224 O PHE A 21 3.478 4.232 -0.407 1.00 0.00 O ATOM 225 CB PHE A 21 5.173 3.587 -2.898 1.00 0.00 C ATOM 226 CG PHE A 21 4.069 2.587 -3.086 1.00 0.00 C ATOM 227 CD1 PHE A 21 3.084 2.793 -4.039 1.00 0.00 C ATOM 228 CD2 PHE A 21 4.016 1.440 -2.310 1.00 0.00 C ATOM 229 CE1 PHE A 21 2.067 1.874 -4.214 1.00 0.00 C ATOM 230 CE2 PHE A 21 3.001 0.518 -2.481 1.00 0.00 C ATOM 231 CZ PHE A 21 2.025 0.735 -3.434 1.00 0.00 C ATOM 0 H PHE A 21 6.255 4.927 -0.962 1.00 0.00 H new ATOM 0 HA PHE A 21 4.457 5.592 -3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.675 3.746 -3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.914 3.174 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.112 3.682 -4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.776 1.265 -1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.306 2.046 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.971 -0.372 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.231 0.016 -3.569 1.00 0.00 H new ATOM 241 N TRP A 22 2.291 5.145 -2.086 1.00 0.00 N ATOM 242 CA TRP A 22 1.011 5.015 -1.398 1.00 0.00 C ATOM 243 C TRP A 22 0.167 3.911 -2.023 1.00 0.00 C ATOM 244 O TRP A 22 0.309 3.603 -3.206 1.00 0.00 O ATOM 245 CB TRP A 22 0.250 6.341 -1.438 1.00 0.00 C ATOM 246 CG TRP A 22 1.059 7.506 -0.951 1.00 0.00 C ATOM 247 CD1 TRP A 22 2.285 7.900 -1.406 1.00 0.00 C ATOM 248 CD2 TRP A 22 0.699 8.425 0.086 1.00 0.00 C ATOM 249 NE1 TRP A 22 2.709 9.008 -0.714 1.00 0.00 N ATOM 250 CE2 TRP A 22 1.754 9.351 0.206 1.00 0.00 C ATOM 251 CE3 TRP A 22 -0.412 8.557 0.923 1.00 0.00 C ATOM 252 CZ2 TRP A 22 1.728 10.392 1.130 1.00 0.00 C ATOM 253 CZ3 TRP A 22 -0.435 9.591 1.840 1.00 0.00 C ATOM 254 CH2 TRP A 22 0.628 10.497 1.938 1.00 0.00 C ATOM 0 H TRP A 22 2.231 5.567 -3.013 1.00 0.00 H new ATOM 0 HA TRP A 22 1.210 4.750 -0.360 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.074 6.535 -2.461 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.650 6.253 -0.830 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.839 7.412 -2.194 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.592 9.496 -0.861 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.237 7.864 0.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 2.547 11.092 1.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -1.288 9.702 2.493 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.579 11.294 2.665 1.00 0.00 H new ATOM 265 N ILE A 23 -0.712 3.318 -1.221 1.00 0.00 N ATOM 266 CA ILE A 23 -1.580 2.249 -1.698 1.00 0.00 C ATOM 267 C ILE A 23 -2.995 2.760 -1.948 1.00 0.00 C ATOM 268 O ILE A 23 -3.398 3.791 -1.409 1.00 0.00 O ATOM 269 CB ILE A 23 -1.638 1.081 -0.695 1.00 0.00 C ATOM 270 CG1 ILE A 23 -2.680 1.363 0.390 1.00 0.00 C ATOM 271 CG2 ILE A 23 -0.268 0.849 -0.074 1.00 0.00 C ATOM 272 CD1 ILE A 23 -4.095 1.036 -0.032 1.00 0.00 C ATOM 0 H ILE A 23 -0.841 3.560 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.154 1.892 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.932 0.177 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.432 0.784 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.627 2.415 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.324 0.021 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.451 0.609 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.052 1.751 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.780 1.261 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.362 1.634 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.164 -0.022 -0.283 1.00 0.00 H new ATOM 284 N CYS A 24 -3.745 2.030 -2.767 1.00 0.00 N ATOM 285 CA CYS A 24 -5.116 2.409 -3.088 1.00 0.00 C ATOM 286 C CYS A 24 -6.106 1.395 -2.523 1.00 0.00 C ATOM 287 O CYS A 24 -6.150 0.245 -2.959 1.00 0.00 O ATOM 288 CB CYS A 24 -5.294 2.525 -4.602 1.00 0.00 C ATOM 289 SG CYS A 24 -4.292 3.821 -5.366 1.00 0.00 S ATOM 0 H CYS A 24 -3.427 1.173 -3.220 1.00 0.00 H new ATOM 0 HA CYS A 24 -5.316 3.378 -2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.043 1.569 -5.061 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.345 2.717 -4.820 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.510 3.839 -6.647 1.00 0.00 H new ATOM 295 N CYS A 25 -6.899 1.830 -1.549 1.00 0.00 N ATOM 296 CA CYS A 25 -7.888 0.961 -0.923 1.00 0.00 C ATOM 297 C CYS A 25 -9.211 1.006 -1.681 1.00 0.00 C ATOM 298 O CYS A 25 -9.464 1.931 -2.454 1.00 0.00 O ATOM 299 CB CYS A 25 -8.108 1.372 0.534 1.00 0.00 C ATOM 300 SG CYS A 25 -9.349 0.367 1.411 1.00 0.00 S ATOM 0 H CYS A 25 -6.876 2.779 -1.176 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.508 -0.060 -0.953 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.159 1.305 1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.416 2.417 0.563 1.00 0.00 H new ATOM 305 N ASP A 26 -10.051 0.003 -1.454 1.00 0.00 N ATOM 306 CA ASP A 26 -11.349 -0.072 -2.115 1.00 0.00 C ATOM 307 C ASP A 26 -12.455 0.447 -1.201 1.00 0.00 C ATOM 308 O ASP A 26 -13.275 1.271 -1.606 1.00 0.00 O ATOM 309 CB ASP A 26 -11.650 -1.512 -2.534 1.00 0.00 C ATOM 310 CG ASP A 26 -11.436 -2.500 -1.405 1.00 0.00 C ATOM 311 OD1 ASP A 26 -10.274 -2.892 -1.172 1.00 0.00 O ATOM 312 OD2 ASP A 26 -12.431 -2.882 -0.754 1.00 0.00 O ATOM 0 H ASP A 26 -9.857 -0.770 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.313 0.557 -3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.681 -1.578 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.013 -1.783 -3.376 1.00 0.00 H new ATOM 317 N LEU A 27 -12.472 -0.042 0.034 1.00 0.00 N ATOM 318 CA LEU A 27 -13.478 0.371 1.007 1.00 0.00 C ATOM 319 C LEU A 27 -13.295 1.836 1.390 1.00 0.00 C ATOM 320 O LEU A 27 -14.091 2.693 1.006 1.00 0.00 O ATOM 321 CB LEU A 27 -13.399 -0.509 2.256 1.00 0.00 C ATOM 322 CG LEU A 27 -14.110 -1.860 2.171 1.00 0.00 C ATOM 323 CD1 LEU A 27 -13.487 -2.853 3.140 1.00 0.00 C ATOM 324 CD2 LEU A 27 -15.597 -1.699 2.453 1.00 0.00 C ATOM 0 H LEU A 27 -11.801 -0.725 0.386 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.461 0.254 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.348 -0.688 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.817 0.047 3.095 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.992 -2.248 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.006 -3.809 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.435 -2.991 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.573 -2.472 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.087 -2.671 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.735 -1.289 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.035 -1.022 1.720 1.00 0.00 H new ATOM 336 N CYS A 28 -12.241 2.116 2.149 1.00 0.00 N ATOM 337 CA CYS A 28 -11.952 3.478 2.584 1.00 0.00 C ATOM 338 C CYS A 28 -11.518 4.344 1.405 1.00 0.00 C ATOM 339 O CYS A 28 -11.966 5.481 1.261 1.00 0.00 O ATOM 340 CB CYS A 28 -10.860 3.472 3.656 1.00 0.00 C ATOM 341 SG CYS A 28 -10.875 1.996 4.724 1.00 0.00 S ATOM 0 H CYS A 28 -11.573 1.418 2.476 1.00 0.00 H new ATOM 0 HA CYS A 28 -12.864 3.900 3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.887 3.545 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.972 4.359 4.279 1.00 0.00 H new ATOM 346 N GLU A 29 -10.645 3.797 0.565 1.00 0.00 N ATOM 347 CA GLU A 29 -10.150 4.521 -0.600 1.00 0.00 C ATOM 348 C GLU A 29 -9.424 5.796 -0.181 1.00 0.00 C ATOM 349 O GLU A 29 -9.626 6.859 -0.767 1.00 0.00 O ATOM 350 CB GLU A 29 -11.306 4.866 -1.542 1.00 0.00 C ATOM 351 CG GLU A 29 -11.811 3.680 -2.346 1.00 0.00 C ATOM 352 CD GLU A 29 -11.097 3.530 -3.675 1.00 0.00 C ATOM 353 OE1 GLU A 29 -9.915 3.923 -3.762 1.00 0.00 O ATOM 354 OE2 GLU A 29 -11.720 3.018 -4.629 1.00 0.00 O ATOM 0 H GLU A 29 -10.266 2.856 0.669 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.443 3.877 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.130 5.275 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.983 5.648 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.681 2.768 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.880 3.795 -2.523 1.00 0.00 H new ATOM 361 N MET A 30 -8.578 5.680 0.837 1.00 0.00 N ATOM 362 CA MET A 30 -7.820 6.823 1.335 1.00 0.00 C ATOM 363 C MET A 30 -6.386 6.792 0.816 1.00 0.00 C ATOM 364 O MET A 30 -6.028 5.937 0.005 1.00 0.00 O ATOM 365 CB MET A 30 -7.821 6.835 2.865 1.00 0.00 C ATOM 366 CG MET A 30 -8.904 7.716 3.465 1.00 0.00 C ATOM 367 SD MET A 30 -10.428 6.812 3.801 1.00 0.00 S ATOM 368 CE MET A 30 -10.107 6.212 5.457 1.00 0.00 C ATOM 0 H MET A 30 -8.400 4.807 1.333 1.00 0.00 H new ATOM 0 HA MET A 30 -8.300 7.732 0.971 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.951 5.815 3.228 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.848 7.178 3.218 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.536 8.157 4.391 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.117 8.539 2.783 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.020 5.787 5.873 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.333 5.446 5.423 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.772 7.038 6.085 1.00 0.00 H new ATOM 378 N TRP A 31 -5.571 7.728 1.287 1.00 0.00 N ATOM 379 CA TRP A 31 -4.176 7.808 0.869 1.00 0.00 C ATOM 380 C TRP A 31 -3.252 7.260 1.951 1.00 0.00 C ATOM 381 O TRP A 31 -2.715 8.013 2.763 1.00 0.00 O ATOM 382 CB TRP A 31 -3.801 9.255 0.546 1.00 0.00 C ATOM 383 CG TRP A 31 -4.717 9.898 -0.450 1.00 0.00 C ATOM 384 CD1 TRP A 31 -5.268 9.313 -1.555 1.00 0.00 C ATOM 385 CD2 TRP A 31 -5.188 11.250 -0.434 1.00 0.00 C ATOM 386 NE1 TRP A 31 -6.053 10.219 -2.226 1.00 0.00 N ATOM 387 CE2 TRP A 31 -6.021 11.415 -1.558 1.00 0.00 C ATOM 388 CE3 TRP A 31 -4.989 12.337 0.422 1.00 0.00 C ATOM 389 CZ2 TRP A 31 -6.651 12.623 -1.846 1.00 0.00 C ATOM 390 CZ3 TRP A 31 -5.615 13.534 0.135 1.00 0.00 C ATOM 391 CH2 TRP A 31 -6.439 13.670 -0.991 1.00 0.00 C ATOM 0 H TRP A 31 -5.852 8.442 1.959 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.056 7.200 -0.028 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.809 9.839 1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.782 9.281 0.161 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.110 8.288 -1.857 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.575 10.032 -3.082 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.357 12.242 1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.285 12.730 -2.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -5.467 14.380 0.790 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -6.915 14.619 -1.187 1.00 0.00 H new ATOM 402 N PHE A 32 -3.069 5.943 1.955 1.00 0.00 N ATOM 403 CA PHE A 32 -2.210 5.294 2.938 1.00 0.00 C ATOM 404 C PHE A 32 -0.789 5.144 2.403 1.00 0.00 C ATOM 405 O PHE A 32 -0.494 5.535 1.274 1.00 0.00 O ATOM 406 CB PHE A 32 -2.773 3.922 3.313 1.00 0.00 C ATOM 407 CG PHE A 32 -4.187 3.972 3.817 1.00 0.00 C ATOM 408 CD1 PHE A 32 -4.522 4.766 4.902 1.00 0.00 C ATOM 409 CD2 PHE A 32 -5.181 3.224 3.207 1.00 0.00 C ATOM 410 CE1 PHE A 32 -5.823 4.815 5.368 1.00 0.00 C ATOM 411 CE2 PHE A 32 -6.483 3.269 3.668 1.00 0.00 C ATOM 412 CZ PHE A 32 -6.804 4.065 4.751 1.00 0.00 C ATOM 0 H PHE A 32 -3.504 5.305 1.289 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.180 5.922 3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.729 3.269 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.139 3.474 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.758 5.354 5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.935 2.599 2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.071 5.439 6.214 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.249 2.683 3.182 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.821 4.100 5.114 1.00 0.00 H new ATOM 422 N HIS A 33 0.089 4.574 3.224 1.00 0.00 N ATOM 423 CA HIS A 33 1.480 4.372 2.834 1.00 0.00 C ATOM 424 C HIS A 33 1.778 2.889 2.633 1.00 0.00 C ATOM 425 O HIS A 33 1.379 2.051 3.441 1.00 0.00 O ATOM 426 CB HIS A 33 2.418 4.954 3.892 1.00 0.00 C ATOM 427 CG HIS A 33 2.291 6.437 4.054 1.00 0.00 C ATOM 428 ND1 HIS A 33 2.134 7.049 5.280 1.00 0.00 N ATOM 429 CD2 HIS A 33 2.299 7.432 3.137 1.00 0.00 C ATOM 430 CE1 HIS A 33 2.050 8.357 5.109 1.00 0.00 C ATOM 431 NE2 HIS A 33 2.148 8.615 3.817 1.00 0.00 N ATOM 0 H HIS A 33 -0.138 4.244 4.162 1.00 0.00 H new ATOM 0 HA HIS A 33 1.645 4.889 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.215 4.474 4.849 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.447 4.713 3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.405 7.317 2.068 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.923 9.090 5.892 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.117 9.542 3.394 1.00 0.00 H new ATOM 439 N GLY A 34 2.481 2.572 1.550 1.00 0.00 N ATOM 440 CA GLY A 34 2.819 1.191 1.263 1.00 0.00 C ATOM 441 C GLY A 34 3.399 0.473 2.466 1.00 0.00 C ATOM 442 O GLY A 34 2.962 -0.623 2.815 1.00 0.00 O ATOM 0 H GLY A 34 2.822 3.248 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.926 0.665 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.537 1.159 0.444 1.00 0.00 H new ATOM 446 N LYS A 35 4.388 1.093 3.102 1.00 0.00 N ATOM 447 CA LYS A 35 5.030 0.507 4.273 1.00 0.00 C ATOM 448 C LYS A 35 4.041 0.376 5.427 1.00 0.00 C ATOM 449 O LYS A 35 4.202 -0.475 6.302 1.00 0.00 O ATOM 450 CB LYS A 35 6.224 1.361 4.705 1.00 0.00 C ATOM 451 CG LYS A 35 5.835 2.733 5.225 1.00 0.00 C ATOM 452 CD LYS A 35 6.943 3.749 5.004 1.00 0.00 C ATOM 453 CE LYS A 35 8.042 3.611 6.047 1.00 0.00 C ATOM 454 NZ LYS A 35 9.264 4.373 5.669 1.00 0.00 N ATOM 0 H LYS A 35 4.762 2.001 2.826 1.00 0.00 H new ATOM 0 HA LYS A 35 5.381 -0.489 4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.777 0.831 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.899 1.481 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.927 3.069 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.607 2.668 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.366 3.617 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.528 4.756 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.676 3.967 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.295 2.558 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.989 4.254 6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.629 4.017 4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.029 5.382 5.575 1.00 0.00 H new ATOM 468 N CYS A 36 3.018 1.224 5.422 1.00 0.00 N ATOM 469 CA CYS A 36 2.002 1.203 6.468 1.00 0.00 C ATOM 470 C CYS A 36 1.052 0.023 6.280 1.00 0.00 C ATOM 471 O CYS A 36 0.723 -0.682 7.235 1.00 0.00 O ATOM 472 CB CYS A 36 1.212 2.513 6.467 1.00 0.00 C ATOM 473 SG CYS A 36 1.917 3.807 7.538 1.00 0.00 S ATOM 0 H CYS A 36 2.870 1.934 4.705 1.00 0.00 H new ATOM 0 HA CYS A 36 2.506 1.091 7.428 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.157 2.891 5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.190 2.309 6.786 1.00 0.00 H new ATOM 478 N VAL A 37 0.615 -0.186 5.042 1.00 0.00 N ATOM 479 CA VAL A 37 -0.295 -1.281 4.728 1.00 0.00 C ATOM 480 C VAL A 37 0.462 -2.592 4.549 1.00 0.00 C ATOM 481 O VAL A 37 -0.072 -3.563 4.013 1.00 0.00 O ATOM 482 CB VAL A 37 -1.103 -0.989 3.449 1.00 0.00 C ATOM 483 CG1 VAL A 37 -1.720 0.400 3.513 1.00 0.00 C ATOM 484 CG2 VAL A 37 -0.222 -1.135 2.218 1.00 0.00 C ATOM 0 H VAL A 37 0.876 0.388 4.241 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.981 -1.374 5.570 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.912 -1.716 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.287 0.589 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.386 0.463 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.930 1.145 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.809 -0.925 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.609 -0.432 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.166 -2.152 2.167 1.00 0.00 H new ATOM 494 N LYS A 38 1.711 -2.613 5.002 1.00 0.00 N ATOM 495 CA LYS A 38 2.544 -3.805 4.894 1.00 0.00 C ATOM 496 C LYS A 38 2.685 -4.241 3.440 1.00 0.00 C ATOM 497 O LYS A 38 2.445 -5.401 3.103 1.00 0.00 O ATOM 498 CB LYS A 38 1.948 -4.945 5.724 1.00 0.00 C ATOM 499 CG LYS A 38 1.878 -4.644 7.211 1.00 0.00 C ATOM 500 CD LYS A 38 3.133 -5.104 7.933 1.00 0.00 C ATOM 501 CE LYS A 38 4.160 -3.986 8.034 1.00 0.00 C ATOM 502 NZ LYS A 38 5.549 -4.515 8.116 1.00 0.00 N ATOM 0 H LYS A 38 2.169 -1.818 5.448 1.00 0.00 H new ATOM 0 HA LYS A 38 3.534 -3.562 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.944 -5.163 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.545 -5.844 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.743 -3.573 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.007 -5.138 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.872 -5.451 8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.568 -5.952 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.071 -3.332 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.950 -3.378 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.219 -3.722 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.641 -5.119 8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.759 -5.074 7.264 1.00 0.00 H new ATOM 516 N ILE A 39 3.078 -3.305 2.582 1.00 0.00 N ATOM 517 CA ILE A 39 3.253 -3.594 1.164 1.00 0.00 C ATOM 518 C ILE A 39 4.458 -2.851 0.597 1.00 0.00 C ATOM 519 O ILE A 39 4.630 -1.654 0.830 1.00 0.00 O ATOM 520 CB ILE A 39 2.001 -3.214 0.353 1.00 0.00 C ATOM 521 CG1 ILE A 39 0.826 -4.116 0.734 1.00 0.00 C ATOM 522 CG2 ILE A 39 2.287 -3.309 -1.139 1.00 0.00 C ATOM 523 CD1 ILE A 39 -0.459 -3.773 0.013 1.00 0.00 C ATOM 0 H ILE A 39 3.281 -2.340 2.844 1.00 0.00 H new ATOM 0 HA ILE A 39 3.418 -4.668 1.079 1.00 0.00 H new ATOM 0 HB ILE A 39 1.734 -2.183 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.089 -5.152 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.659 -4.047 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.392 -3.037 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.098 -2.628 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.576 -4.330 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.248 -4.453 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.746 -2.748 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.310 -3.870 -1.062 1.00 0.00 H new ATOM 535 N THR A 40 5.290 -3.568 -0.152 1.00 0.00 N ATOM 536 CA THR A 40 6.479 -2.977 -0.754 1.00 0.00 C ATOM 537 C THR A 40 6.175 -2.422 -2.140 1.00 0.00 C ATOM 538 O THR A 40 5.223 -2.833 -2.805 1.00 0.00 O ATOM 539 CB THR A 40 7.622 -4.004 -0.864 1.00 0.00 C ATOM 540 OG1 THR A 40 7.102 -5.275 -1.267 1.00 0.00 O ATOM 541 CG2 THR A 40 8.351 -4.146 0.464 1.00 0.00 C ATOM 0 H THR A 40 5.162 -4.559 -0.356 1.00 0.00 H new ATOM 0 HA THR A 40 6.793 -2.163 -0.101 1.00 0.00 H new ATOM 0 HB THR A 40 8.330 -3.648 -1.613 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.835 -5.921 -1.336 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.154 -4.876 0.362 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.771 -3.183 0.753 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.651 -4.481 1.229 1.00 0.00 H new ATOM 549 N PRO A 41 7.001 -1.466 -2.590 1.00 0.00 N ATOM 550 CA PRO A 41 6.840 -0.834 -3.903 1.00 0.00 C ATOM 551 C PRO A 41 7.163 -1.788 -5.048 1.00 0.00 C ATOM 552 O PRO A 41 6.854 -1.509 -6.207 1.00 0.00 O ATOM 553 CB PRO A 41 7.847 0.318 -3.868 1.00 0.00 C ATOM 554 CG PRO A 41 8.881 -0.112 -2.885 1.00 0.00 C ATOM 555 CD PRO A 41 8.155 -0.928 -1.851 1.00 0.00 C ATOM 0 HA PRO A 41 5.813 -0.515 -4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.284 0.492 -4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.372 1.250 -3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.660 -0.700 -3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.369 0.750 -2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.784 -1.724 -1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.841 -0.317 -1.005 1.00 0.00 H new ATOM 563 N ALA A 42 7.785 -2.915 -4.717 1.00 0.00 N ATOM 564 CA ALA A 42 8.147 -3.911 -5.717 1.00 0.00 C ATOM 565 C ALA A 42 7.032 -4.935 -5.900 1.00 0.00 C ATOM 566 O ALA A 42 6.855 -5.486 -6.987 1.00 0.00 O ATOM 567 CB ALA A 42 9.444 -4.603 -5.328 1.00 0.00 C ATOM 0 H ALA A 42 8.049 -3.161 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 42 8.294 -3.399 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.702 -5.344 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.243 -3.865 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.318 -5.096 -4.364 1.00 0.00 H new ATOM 573 N ARG A 43 6.285 -5.187 -4.830 1.00 0.00 N ATOM 574 CA ARG A 43 5.189 -6.147 -4.873 1.00 0.00 C ATOM 575 C ARG A 43 3.874 -5.456 -5.224 1.00 0.00 C ATOM 576 O ARG A 43 3.019 -6.032 -5.896 1.00 0.00 O ATOM 577 CB ARG A 43 5.058 -6.864 -3.528 1.00 0.00 C ATOM 578 CG ARG A 43 3.878 -7.820 -3.460 1.00 0.00 C ATOM 579 CD ARG A 43 3.605 -8.267 -2.032 1.00 0.00 C ATOM 580 NE ARG A 43 4.674 -9.115 -1.511 1.00 0.00 N ATOM 581 CZ ARG A 43 4.934 -9.257 -0.216 1.00 0.00 C ATOM 582 NH1 ARG A 43 4.207 -8.610 0.685 1.00 0.00 N ATOM 583 NH2 ARG A 43 5.924 -10.047 0.181 1.00 0.00 N ATOM 0 H ARG A 43 6.419 -4.740 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 43 5.412 -6.881 -5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.976 -7.418 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.958 -6.120 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.991 -7.334 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.078 -8.692 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.493 -7.391 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.661 -8.811 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 43 5.252 -9.626 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.446 -8.001 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.409 -8.721 1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.486 -10.546 -0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.123 -10.155 1.176 1.00 0.00 H new ATOM 597 N ALA A 44 3.721 -4.219 -4.764 1.00 0.00 N ATOM 598 CA ALA A 44 2.512 -3.449 -5.030 1.00 0.00 C ATOM 599 C ALA A 44 2.305 -3.253 -6.528 1.00 0.00 C ATOM 600 O ALA A 44 1.188 -3.378 -7.030 1.00 0.00 O ATOM 601 CB ALA A 44 2.577 -2.103 -4.324 1.00 0.00 C ATOM 0 H ALA A 44 4.419 -3.728 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 44 1.661 -4.009 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.668 -1.539 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.669 -2.260 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.441 -1.544 -4.685 1.00 0.00 H new ATOM 607 N GLU A 45 3.387 -2.945 -7.235 1.00 0.00 N ATOM 608 CA GLU A 45 3.322 -2.731 -8.676 1.00 0.00 C ATOM 609 C GLU A 45 2.514 -3.833 -9.354 1.00 0.00 C ATOM 610 O GLU A 45 2.016 -3.659 -10.467 1.00 0.00 O ATOM 611 CB GLU A 45 4.731 -2.677 -9.271 1.00 0.00 C ATOM 612 CG GLU A 45 5.583 -3.888 -8.928 1.00 0.00 C ATOM 613 CD GLU A 45 6.602 -4.207 -10.004 1.00 0.00 C ATOM 614 OE1 GLU A 45 6.346 -3.873 -11.181 1.00 0.00 O ATOM 615 OE2 GLU A 45 7.655 -4.790 -9.671 1.00 0.00 O ATOM 0 H GLU A 45 4.319 -2.838 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 45 2.824 -1.778 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.656 -2.592 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.233 -1.777 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.100 -3.709 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.936 -4.752 -8.778 1.00 0.00 H new ATOM 622 N HIS A 46 2.388 -4.970 -8.676 1.00 0.00 N ATOM 623 CA HIS A 46 1.641 -6.102 -9.212 1.00 0.00 C ATOM 624 C HIS A 46 0.203 -6.095 -8.700 1.00 0.00 C ATOM 625 O HIS A 46 -0.720 -6.497 -9.408 1.00 0.00 O ATOM 626 CB HIS A 46 2.324 -7.416 -8.833 1.00 0.00 C ATOM 627 CG HIS A 46 3.770 -7.472 -9.219 1.00 0.00 C ATOM 628 ND1 HIS A 46 4.209 -7.980 -10.423 1.00 0.00 N ATOM 629 CD2 HIS A 46 4.880 -7.078 -8.552 1.00 0.00 C ATOM 630 CE1 HIS A 46 5.526 -7.898 -10.479 1.00 0.00 C ATOM 631 NE2 HIS A 46 5.958 -7.354 -9.356 1.00 0.00 N ATOM 0 H HIS A 46 2.794 -5.131 -7.754 1.00 0.00 H new ATOM 0 HA HIS A 46 1.622 -6.012 -10.298 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.238 -7.564 -7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.796 -8.241 -9.311 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.912 -6.630 -7.570 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.145 -8.221 -11.303 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.934 -7.169 -9.124 1.00 0.00 H new ATOM 640 N ILE A 47 0.023 -5.638 -7.465 1.00 0.00 N ATOM 641 CA ILE A 47 -1.302 -5.580 -6.859 1.00 0.00 C ATOM 642 C ILE A 47 -2.167 -4.519 -7.530 1.00 0.00 C ATOM 643 O ILE A 47 -1.807 -3.342 -7.572 1.00 0.00 O ATOM 644 CB ILE A 47 -1.218 -5.279 -5.351 1.00 0.00 C ATOM 645 CG1 ILE A 47 -0.457 -6.393 -4.628 1.00 0.00 C ATOM 646 CG2 ILE A 47 -2.612 -5.117 -4.765 1.00 0.00 C ATOM 647 CD1 ILE A 47 -0.068 -6.037 -3.210 1.00 0.00 C ATOM 0 H ILE A 47 0.777 -5.303 -6.865 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.758 -6.560 -7.001 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.675 -4.344 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.073 -7.292 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.443 -6.633 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.536 -4.905 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.123 -4.293 -5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.178 -6.037 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.468 -6.872 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.574 -5.156 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.965 -5.825 -2.629 1.00 0.00 H new ATOM 659 N LYS A 48 -3.313 -4.942 -8.053 1.00 0.00 N ATOM 660 CA LYS A 48 -4.233 -4.029 -8.720 1.00 0.00 C ATOM 661 C LYS A 48 -5.108 -3.300 -7.705 1.00 0.00 C ATOM 662 O LYS A 48 -5.008 -2.084 -7.548 1.00 0.00 O ATOM 663 CB LYS A 48 -5.114 -4.793 -9.712 1.00 0.00 C ATOM 664 CG LYS A 48 -4.344 -5.374 -10.886 1.00 0.00 C ATOM 665 CD LYS A 48 -5.236 -5.555 -12.102 1.00 0.00 C ATOM 666 CE LYS A 48 -4.435 -5.497 -13.394 1.00 0.00 C ATOM 667 NZ LYS A 48 -3.612 -6.721 -13.592 1.00 0.00 N ATOM 0 H LYS A 48 -3.627 -5.912 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.642 -3.290 -9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.623 -5.601 -9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.886 -4.123 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.512 -4.716 -11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.915 -6.335 -10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.753 -6.512 -12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.001 -4.779 -12.112 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.115 -5.376 -14.237 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.786 -4.621 -13.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.082 -6.642 -14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.946 -6.823 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.233 -7.554 -13.631 1.00 0.00 H new ATOM 681 N GLN A 49 -5.962 -4.052 -7.019 1.00 0.00 N ATOM 682 CA GLN A 49 -6.853 -3.476 -6.019 1.00 0.00 C ATOM 683 C GLN A 49 -6.724 -4.210 -4.688 1.00 0.00 C ATOM 684 O GLN A 49 -7.261 -5.305 -4.518 1.00 0.00 O ATOM 685 CB GLN A 49 -8.302 -3.528 -6.505 1.00 0.00 C ATOM 686 CG GLN A 49 -8.598 -2.562 -7.641 1.00 0.00 C ATOM 687 CD GLN A 49 -7.928 -2.966 -8.940 1.00 0.00 C ATOM 688 OE1 GLN A 49 -7.139 -2.209 -9.506 1.00 0.00 O ATOM 689 NE2 GLN A 49 -8.239 -4.164 -9.419 1.00 0.00 N ATOM 0 H GLN A 49 -6.056 -5.061 -7.137 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.565 -2.435 -5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.530 -4.542 -6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.965 -3.306 -5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.676 -2.507 -7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.264 -1.563 -7.360 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.898 -4.759 -8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.819 -4.490 -10.289 1.00 0.00 H new ATOM 698 N TYR A 50 -6.010 -3.601 -3.749 1.00 0.00 N ATOM 699 CA TYR A 50 -5.809 -4.198 -2.434 1.00 0.00 C ATOM 700 C TYR A 50 -6.617 -3.461 -1.371 1.00 0.00 C ATOM 701 O TYR A 50 -6.859 -2.258 -1.480 1.00 0.00 O ATOM 702 CB TYR A 50 -4.324 -4.180 -2.065 1.00 0.00 C ATOM 703 CG TYR A 50 -4.064 -4.402 -0.592 1.00 0.00 C ATOM 704 CD1 TYR A 50 -4.191 -5.666 -0.027 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.692 -3.350 0.235 1.00 0.00 C ATOM 706 CE1 TYR A 50 -3.955 -5.873 1.318 1.00 0.00 C ATOM 707 CE2 TYR A 50 -3.453 -3.548 1.581 1.00 0.00 C ATOM 708 CZ TYR A 50 -3.585 -4.812 2.118 1.00 0.00 C ATOM 709 OH TYR A 50 -3.349 -5.014 3.458 1.00 0.00 O ATOM 0 H TYR A 50 -5.560 -2.694 -3.874 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.155 -5.231 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.807 -4.950 -2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.896 -3.222 -2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.479 -6.500 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.588 -2.359 -0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.060 -6.861 1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.165 -2.718 2.209 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.486 -4.618 3.702 1.00 0.00 H new ATOM 719 N LYS A 51 -7.033 -4.191 -0.341 1.00 0.00 N ATOM 720 CA LYS A 51 -7.813 -3.609 0.744 1.00 0.00 C ATOM 721 C LYS A 51 -6.943 -3.376 1.976 1.00 0.00 C ATOM 722 O LYS A 51 -6.577 -4.320 2.676 1.00 0.00 O ATOM 723 CB LYS A 51 -8.988 -4.521 1.102 1.00 0.00 C ATOM 724 CG LYS A 51 -10.160 -3.787 1.730 1.00 0.00 C ATOM 725 CD LYS A 51 -11.481 -4.463 1.404 1.00 0.00 C ATOM 726 CE LYS A 51 -11.915 -5.405 2.517 1.00 0.00 C ATOM 727 NZ LYS A 51 -11.078 -6.637 2.557 1.00 0.00 N ATOM 0 H LYS A 51 -6.842 -5.187 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.198 -2.647 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.330 -5.029 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.642 -5.292 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.028 -3.747 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.179 -2.757 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.249 -3.706 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.386 -5.019 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.850 -4.890 3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.960 -5.680 2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.426 -7.269 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.133 -7.124 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.090 -6.379 2.753 1.00 0.00 H new ATOM 741 N CYS A 52 -6.617 -2.115 2.234 1.00 0.00 N ATOM 742 CA CYS A 52 -5.791 -1.758 3.382 1.00 0.00 C ATOM 743 C CYS A 52 -6.109 -2.649 4.579 1.00 0.00 C ATOM 744 O CYS A 52 -7.195 -3.218 4.690 1.00 0.00 O ATOM 745 CB CYS A 52 -6.006 -0.289 3.754 1.00 0.00 C ATOM 746 SG CYS A 52 -7.402 -0.006 4.889 1.00 0.00 S ATOM 0 H CYS A 52 -6.912 -1.322 1.664 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.747 -1.908 3.108 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.095 0.096 4.213 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.171 0.285 2.842 1.00 0.00 H new ATOM 751 N PRO A 53 -5.140 -2.773 5.498 1.00 0.00 N ATOM 752 CA PRO A 53 -5.293 -3.592 6.704 1.00 0.00 C ATOM 753 C PRO A 53 -6.287 -2.990 7.691 1.00 0.00 C ATOM 754 O PRO A 53 -6.723 -3.656 8.631 1.00 0.00 O ATOM 755 CB PRO A 53 -3.885 -3.606 7.304 1.00 0.00 C ATOM 756 CG PRO A 53 -3.246 -2.359 6.800 1.00 0.00 C ATOM 757 CD PRO A 53 -3.820 -2.123 5.430 1.00 0.00 C ATOM 0 HA PRO A 53 -5.684 -4.584 6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.919 -3.621 8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.330 -4.490 6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.456 -1.518 7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.162 -2.466 6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.907 -1.059 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.196 -2.561 4.651 1.00 0.00 H new ATOM 765 N SER A 54 -6.641 -1.728 7.472 1.00 0.00 N ATOM 766 CA SER A 54 -7.582 -1.036 8.345 1.00 0.00 C ATOM 767 C SER A 54 -8.978 -1.637 8.225 1.00 0.00 C ATOM 768 O SER A 54 -9.554 -2.102 9.209 1.00 0.00 O ATOM 769 CB SER A 54 -7.625 0.455 8.004 1.00 0.00 C ATOM 770 OG SER A 54 -7.927 1.232 9.149 1.00 0.00 O ATOM 0 H SER A 54 -6.291 -1.164 6.698 1.00 0.00 H new ATOM 0 HA SER A 54 -7.241 -1.157 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.664 0.765 7.594 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.374 0.633 7.232 1.00 0.00 H new ATOM 0 HG SER A 54 -7.947 2.181 8.905 1.00 0.00 H new ATOM 776 N CYS A 55 -9.518 -1.625 7.011 1.00 0.00 N ATOM 777 CA CYS A 55 -10.848 -2.168 6.759 1.00 0.00 C ATOM 778 C CYS A 55 -10.788 -3.678 6.548 1.00 0.00 C ATOM 779 O CYS A 55 -11.494 -4.437 7.211 1.00 0.00 O ATOM 780 CB CYS A 55 -11.473 -1.495 5.535 1.00 0.00 C ATOM 781 SG CYS A 55 -10.375 -1.423 4.084 1.00 0.00 S ATOM 0 H CYS A 55 -9.055 -1.245 6.186 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.468 -1.965 7.633 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -12.382 -2.032 5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.770 -0.481 5.803 1.00 0.00 H new ATOM 786 N SER A 56 -9.938 -4.106 5.619 1.00 0.00 N ATOM 787 CA SER A 56 -9.788 -5.525 5.317 1.00 0.00 C ATOM 788 C SER A 56 -9.946 -6.368 6.579 1.00 0.00 C ATOM 789 O SER A 56 -10.431 -7.498 6.526 1.00 0.00 O ATOM 790 CB SER A 56 -8.422 -5.790 4.681 1.00 0.00 C ATOM 791 OG SER A 56 -7.398 -5.808 5.660 1.00 0.00 O ATOM 0 H SER A 56 -9.344 -3.491 5.063 1.00 0.00 H new ATOM 0 HA SER A 56 -10.570 -5.807 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.442 -6.744 4.154 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.207 -5.020 3.940 1.00 0.00 H new ATOM 0 HG SER A 56 -6.567 -6.136 5.258 1.00 0.00 H new ATOM 797 N ASN A 57 -9.533 -5.810 7.712 1.00 0.00 N ATOM 798 CA ASN A 57 -9.628 -6.510 8.988 1.00 0.00 C ATOM 799 C ASN A 57 -11.003 -6.308 9.619 1.00 0.00 C ATOM 800 O ASN A 57 -11.116 -6.045 10.816 1.00 0.00 O ATOM 801 CB ASN A 57 -8.539 -6.021 9.944 1.00 0.00 C ATOM 802 CG ASN A 57 -8.290 -6.992 11.082 1.00 0.00 C ATOM 803 OD1 ASN A 57 -9.047 -7.036 12.052 1.00 0.00 O ATOM 804 ND2 ASN A 57 -7.225 -7.777 10.968 1.00 0.00 N ATOM 0 H ASN A 57 -9.129 -4.875 7.773 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.487 -7.575 8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.613 -5.871 9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.826 -5.052 10.353 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.007 -8.451 11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.625 -7.706 10.146 1.00 0.00 H new ATOM 811 N LYS A 58 -12.045 -6.433 8.804 1.00 0.00 N ATOM 812 CA LYS A 58 -13.413 -6.266 9.281 1.00 0.00 C ATOM 813 C LYS A 58 -14.190 -7.575 9.176 1.00 0.00 C ATOM 814 O LYS A 58 -13.754 -8.515 8.511 1.00 0.00 O ATOM 815 CB LYS A 58 -14.124 -5.173 8.480 1.00 0.00 C ATOM 816 CG LYS A 58 -13.941 -3.780 9.056 1.00 0.00 C ATOM 817 CD LYS A 58 -15.070 -2.852 8.640 1.00 0.00 C ATOM 818 CE LYS A 58 -16.344 -3.140 9.419 1.00 0.00 C ATOM 819 NZ LYS A 58 -16.170 -2.898 10.878 1.00 0.00 N ATOM 0 H LYS A 58 -11.968 -6.649 7.810 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.372 -5.972 10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.752 -5.185 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.189 -5.402 8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.898 -3.838 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.989 -3.369 8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.770 -1.817 8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.261 -2.966 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.151 -2.512 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.643 -4.175 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.099 -2.738 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.719 -3.726 11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.570 -2.060 11.022 1.00 0.00 H new ATOM 833 N SER A 59 -15.342 -7.628 9.835 1.00 0.00 N ATOM 834 CA SER A 59 -16.178 -8.823 9.818 1.00 0.00 C ATOM 835 C SER A 59 -16.147 -9.488 8.445 1.00 0.00 C ATOM 836 O SER A 59 -16.051 -8.816 7.419 1.00 0.00 O ATOM 837 CB SER A 59 -17.619 -8.469 10.192 1.00 0.00 C ATOM 838 OG SER A 59 -18.144 -7.482 9.322 1.00 0.00 O ATOM 0 H SER A 59 -15.718 -6.858 10.388 1.00 0.00 H new ATOM 0 HA SER A 59 -15.781 -9.524 10.552 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.240 -9.364 10.148 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.653 -8.107 11.220 1.00 0.00 H new ATOM 0 HG SER A 59 -19.066 -7.275 9.581 1.00 0.00 H new ATOM 844 N GLY A 60 -16.228 -10.815 8.435 1.00 0.00 N ATOM 845 CA GLY A 60 -16.207 -11.550 7.184 1.00 0.00 C ATOM 846 C GLY A 60 -15.372 -12.812 7.267 1.00 0.00 C ATOM 847 O GLY A 60 -15.895 -13.926 7.319 1.00 0.00 O ATOM 0 H GLY A 60 -16.308 -11.394 9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.227 -11.811 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.813 -10.908 6.396 1.00 0.00 H new ATOM 851 N PRO A 61 -14.041 -12.646 7.279 1.00 0.00 N ATOM 852 CA PRO A 61 -13.104 -13.771 7.355 1.00 0.00 C ATOM 853 C PRO A 61 -13.128 -14.455 8.717 1.00 0.00 C ATOM 854 O PRO A 61 -12.506 -15.499 8.909 1.00 0.00 O ATOM 855 CB PRO A 61 -11.742 -13.114 7.111 1.00 0.00 C ATOM 856 CG PRO A 61 -11.922 -11.699 7.538 1.00 0.00 C ATOM 857 CD PRO A 61 -13.349 -11.348 7.219 1.00 0.00 C ATOM 0 HA PRO A 61 -13.350 -14.555 6.639 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.957 -13.604 7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.454 -13.177 6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.721 -11.584 8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.231 -11.041 7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.759 -10.640 7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.440 -10.889 6.234 1.00 0.00 H new ATOM 865 N SER A 62 -13.852 -13.860 9.660 1.00 0.00 N ATOM 866 CA SER A 62 -13.955 -14.411 11.006 1.00 0.00 C ATOM 867 C SER A 62 -15.283 -14.026 11.651 1.00 0.00 C ATOM 868 O SER A 62 -15.877 -13.003 11.310 1.00 0.00 O ATOM 869 CB SER A 62 -12.793 -13.919 11.872 1.00 0.00 C ATOM 870 OG SER A 62 -11.573 -14.524 11.480 1.00 0.00 O ATOM 0 H SER A 62 -14.376 -12.997 9.517 1.00 0.00 H new ATOM 0 HA SER A 62 -13.909 -15.497 10.931 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.708 -12.835 11.790 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.995 -14.145 12.919 1.00 0.00 H new ATOM 0 HG SER A 62 -11.716 -15.053 10.668 1.00 0.00 H new ATOM 876 N SER A 63 -15.742 -14.852 12.585 1.00 0.00 N ATOM 877 CA SER A 63 -17.002 -14.602 13.275 1.00 0.00 C ATOM 878 C SER A 63 -16.849 -14.814 14.779 1.00 0.00 C ATOM 879 O SER A 63 -15.801 -15.250 15.252 1.00 0.00 O ATOM 880 CB SER A 63 -18.099 -15.517 12.729 1.00 0.00 C ATOM 881 OG SER A 63 -19.378 -15.103 13.175 1.00 0.00 O ATOM 0 H SER A 63 -15.260 -15.701 12.882 1.00 0.00 H new ATOM 0 HA SER A 63 -17.284 -13.564 13.098 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.072 -15.512 11.639 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.914 -16.543 13.048 1.00 0.00 H new ATOM 0 HG SER A 63 -20.062 -15.703 12.811 1.00 0.00 H new ATOM 887 N GLY A 64 -17.904 -14.501 15.525 1.00 0.00 N ATOM 888 CA GLY A 64 -17.868 -14.664 16.966 1.00 0.00 C ATOM 889 C GLY A 64 -16.981 -13.638 17.643 1.00 0.00 C ATOM 890 O GLY A 64 -17.155 -13.389 18.835 1.00 0.00 O ATOM 0 H GLY A 64 -18.783 -14.137 15.157 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.880 -14.584 17.363 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.510 -15.665 17.207 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 1.094 5.938 7.075 1.00 0.00 ZN HETATM 896 ZN ZN A 401 -9.313 0.607 3.721 1.00 0.00 ZN