USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 16 TYR OH : rot -132:sc= -0.0373 USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 23 GLN : amide:sc= 0.601 K(o=0.56,f=-3.7!) 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.716 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00525 X(o=-0.0052,f=-0.067) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 43:sc= 1.09 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 34:sc= 0.142 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0539 K(o=-0.054,f=-1.4) USER MOD Single : A 58 HIS : no HD1:sc= -0.908 X(o=-0.91,f=-0.47) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.132 8.523 -21.625 1.00 0.00 N ATOM 2 CA GLY A 1 -1.750 9.445 -20.687 1.00 0.00 C ATOM 3 C GLY A 1 -3.273 9.290 -20.690 1.00 0.00 C ATOM 4 O GLY A 1 -3.954 9.840 -21.553 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.100 8.647 -21.605 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.369 7.546 -21.358 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.485 8.715 -22.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.364 9.262 -19.684 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.484 10.469 -20.949 1.00 0.00 H new ATOM 8 N SER A 2 -3.761 8.539 -19.714 1.00 0.00 N ATOM 9 CA SER A 2 -5.190 8.305 -19.593 1.00 0.00 C ATOM 10 C SER A 2 -5.819 9.367 -18.688 1.00 0.00 C ATOM 11 O SER A 2 -5.157 9.902 -17.800 1.00 0.00 O ATOM 12 CB SER A 2 -5.475 6.905 -19.045 1.00 0.00 C ATOM 13 OG SER A 2 -5.202 6.812 -17.650 1.00 0.00 O ATOM 0 H SER A 2 -3.192 8.085 -19.000 1.00 0.00 H new ATOM 0 HA SER A 2 -5.633 8.374 -20.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.519 6.650 -19.228 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.869 6.175 -19.582 1.00 0.00 H new ATOM 0 HG SER A 2 -5.398 5.904 -17.338 1.00 0.00 H new ATOM 19 N SER A 3 -7.090 9.640 -18.945 1.00 0.00 N ATOM 20 CA SER A 3 -7.815 10.628 -18.165 1.00 0.00 C ATOM 21 C SER A 3 -8.643 9.934 -17.081 1.00 0.00 C ATOM 22 O SER A 3 -9.492 9.098 -17.383 1.00 0.00 O ATOM 23 CB SER A 3 -8.719 11.480 -19.058 1.00 0.00 C ATOM 24 OG SER A 3 -9.213 12.629 -18.377 1.00 0.00 O ATOM 0 H SER A 3 -7.636 9.194 -19.682 1.00 0.00 H new ATOM 0 HA SER A 3 -7.089 11.289 -17.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.164 11.794 -19.942 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.557 10.877 -19.406 1.00 0.00 H new ATOM 0 HG SER A 3 -9.784 13.147 -18.982 1.00 0.00 H new ATOM 30 N GLY A 4 -8.365 10.307 -15.840 1.00 0.00 N ATOM 31 CA GLY A 4 -9.073 9.730 -14.709 1.00 0.00 C ATOM 32 C GLY A 4 -8.152 8.822 -13.892 1.00 0.00 C ATOM 33 O GLY A 4 -7.761 7.751 -14.354 1.00 0.00 O ATOM 0 H GLY A 4 -7.660 11.001 -15.593 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.462 10.526 -14.074 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.930 9.159 -15.065 1.00 0.00 H new ATOM 37 N SER A 5 -7.834 9.283 -12.691 1.00 0.00 N ATOM 38 CA SER A 5 -6.967 8.525 -11.805 1.00 0.00 C ATOM 39 C SER A 5 -7.756 8.045 -10.585 1.00 0.00 C ATOM 40 O SER A 5 -8.653 8.740 -10.109 1.00 0.00 O ATOM 41 CB SER A 5 -5.764 9.361 -11.363 1.00 0.00 C ATOM 42 OG SER A 5 -4.694 8.548 -10.890 1.00 0.00 O ATOM 0 H SER A 5 -8.161 10.171 -12.311 1.00 0.00 H new ATOM 0 HA SER A 5 -6.593 7.659 -12.352 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.416 9.967 -12.200 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.071 10.050 -10.576 1.00 0.00 H new ATOM 0 HG SER A 5 -3.945 9.119 -10.619 1.00 0.00 H new ATOM 48 N SER A 6 -7.394 6.861 -10.113 1.00 0.00 N ATOM 49 CA SER A 6 -8.057 6.281 -8.958 1.00 0.00 C ATOM 50 C SER A 6 -7.152 5.235 -8.306 1.00 0.00 C ATOM 51 O SER A 6 -7.029 4.117 -8.805 1.00 0.00 O ATOM 52 CB SER A 6 -9.397 5.654 -9.349 1.00 0.00 C ATOM 53 OG SER A 6 -10.332 5.678 -8.274 1.00 0.00 O ATOM 0 H SER A 6 -6.650 6.288 -10.510 1.00 0.00 H new ATOM 0 HA SER A 6 -8.255 7.078 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.812 6.190 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.236 4.624 -9.667 1.00 0.00 H new ATOM 0 HG SER A 6 -11.175 5.270 -8.564 1.00 0.00 H new ATOM 59 N GLY A 7 -6.540 5.634 -7.200 1.00 0.00 N ATOM 60 CA GLY A 7 -5.650 4.745 -6.474 1.00 0.00 C ATOM 61 C GLY A 7 -4.873 5.506 -5.398 1.00 0.00 C ATOM 62 O GLY A 7 -4.836 6.735 -5.406 1.00 0.00 O ATOM 0 H GLY A 7 -6.644 6.562 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.227 3.944 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.953 4.276 -7.168 1.00 0.00 H new ATOM 66 N GLU A 8 -4.271 4.743 -4.497 1.00 0.00 N ATOM 67 CA GLU A 8 -3.497 5.330 -3.416 1.00 0.00 C ATOM 68 C GLU A 8 -2.046 4.848 -3.480 1.00 0.00 C ATOM 69 O GLU A 8 -1.785 3.647 -3.437 1.00 0.00 O ATOM 70 CB GLU A 8 -4.122 5.008 -2.057 1.00 0.00 C ATOM 71 CG GLU A 8 -4.666 6.273 -1.391 1.00 0.00 C ATOM 72 CD GLU A 8 -5.949 5.974 -0.611 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.954 5.646 -1.277 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.894 6.080 0.633 1.00 0.00 O ATOM 0 H GLU A 8 -4.304 3.724 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.505 6.413 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.928 4.285 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.377 4.544 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.915 6.686 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.865 7.030 -2.149 1.00 0.00 H new ATOM 81 N GLU A 9 -1.141 5.810 -3.582 1.00 0.00 N ATOM 82 CA GLU A 9 0.276 5.500 -3.653 1.00 0.00 C ATOM 83 C GLU A 9 0.845 5.294 -2.247 1.00 0.00 C ATOM 84 O GLU A 9 0.755 6.182 -1.401 1.00 0.00 O ATOM 85 CB GLU A 9 1.041 6.595 -4.398 1.00 0.00 C ATOM 86 CG GLU A 9 1.398 6.146 -5.817 1.00 0.00 C ATOM 87 CD GLU A 9 2.753 6.711 -6.247 1.00 0.00 C ATOM 88 OE1 GLU A 9 2.752 7.836 -6.791 1.00 0.00 O ATOM 89 OE2 GLU A 9 3.760 6.005 -6.021 1.00 0.00 O ATOM 0 H GLU A 9 -1.362 6.805 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 9 0.397 4.573 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.437 7.501 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.951 6.844 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.423 5.057 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.626 6.476 -6.512 1.00 0.00 H new ATOM 96 N PHE A 10 1.419 4.117 -2.042 1.00 0.00 N ATOM 97 CA PHE A 10 2.002 3.783 -0.754 1.00 0.00 C ATOM 98 C PHE A 10 3.406 3.199 -0.922 1.00 0.00 C ATOM 99 O PHE A 10 3.809 2.854 -2.032 1.00 0.00 O ATOM 100 CB PHE A 10 1.097 2.729 -0.113 1.00 0.00 C ATOM 101 CG PHE A 10 -0.024 3.312 0.749 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.073 3.947 0.161 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.028 3.194 2.103 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.114 4.488 0.962 1.00 0.00 C ATOM 105 CE2 PHE A 10 -1.013 3.735 2.903 1.00 0.00 C ATOM 106 CZ PHE A 10 -2.062 4.371 2.315 1.00 0.00 C ATOM 0 H PHE A 10 1.493 3.383 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 10 2.082 4.679 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.656 2.117 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.707 2.067 0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.115 4.040 -0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.861 2.689 2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.947 4.993 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.972 3.642 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.854 4.783 2.923 1.00 0.00 H new ATOM 116 N VAL A 11 4.112 3.107 0.195 1.00 0.00 N ATOM 117 CA VAL A 11 5.462 2.571 0.185 1.00 0.00 C ATOM 118 C VAL A 11 5.550 1.404 1.170 1.00 0.00 C ATOM 119 O VAL A 11 5.005 1.473 2.271 1.00 0.00 O ATOM 120 CB VAL A 11 6.469 3.683 0.484 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.731 3.118 1.140 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.814 4.466 -0.784 1.00 0.00 C ATOM 0 H VAL A 11 3.774 3.395 1.113 1.00 0.00 H new ATOM 0 HA VAL A 11 5.711 2.182 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 11 6.006 4.374 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.430 3.929 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.466 2.626 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.197 2.396 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.532 5.250 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.248 3.791 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.909 4.915 -1.192 1.00 0.00 H new ATOM 132 N ALA A 12 6.241 0.358 0.740 1.00 0.00 N ATOM 133 CA ALA A 12 6.408 -0.822 1.571 1.00 0.00 C ATOM 134 C ALA A 12 7.381 -0.507 2.708 1.00 0.00 C ATOM 135 O ALA A 12 8.541 -0.176 2.464 1.00 0.00 O ATOM 136 CB ALA A 12 6.880 -1.993 0.706 1.00 0.00 C ATOM 0 H ALA A 12 6.692 0.303 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 12 5.459 -1.112 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.005 -2.878 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.139 -2.196 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.832 -1.740 0.239 1.00 0.00 H new ATOM 142 N ILE A 13 6.875 -0.621 3.927 1.00 0.00 N ATOM 143 CA ILE A 13 7.685 -0.353 5.103 1.00 0.00 C ATOM 144 C ILE A 13 8.729 -1.460 5.261 1.00 0.00 C ATOM 145 O ILE A 13 9.689 -1.310 6.015 1.00 0.00 O ATOM 146 CB ILE A 13 6.797 -0.163 6.334 1.00 0.00 C ATOM 147 CG1 ILE A 13 5.837 -1.343 6.504 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.057 1.175 6.276 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.658 -1.695 7.982 1.00 0.00 C ATOM 0 H ILE A 13 5.913 -0.896 4.126 1.00 0.00 H new ATOM 0 HA ILE A 13 8.230 0.584 4.985 1.00 0.00 H new ATOM 0 HB ILE A 13 7.437 -0.138 7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.870 -1.096 6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.220 -2.209 5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.433 1.284 7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.780 1.990 6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.430 1.206 5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.971 -2.536 8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.623 -1.965 8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.252 -0.835 8.514 1.00 0.00 H new ATOM 161 N ALA A 14 8.505 -2.548 4.539 1.00 0.00 N ATOM 162 CA ALA A 14 9.414 -3.681 4.590 1.00 0.00 C ATOM 163 C ALA A 14 9.124 -4.616 3.414 1.00 0.00 C ATOM 164 O ALA A 14 7.965 -4.852 3.075 1.00 0.00 O ATOM 165 CB ALA A 14 9.277 -4.385 5.942 1.00 0.00 C ATOM 0 H ALA A 14 7.707 -2.669 3.915 1.00 0.00 H new ATOM 0 HA ALA A 14 10.448 -3.348 4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.959 -5.235 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.522 -3.687 6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.253 -4.736 6.067 1.00 0.00 H new ATOM 171 N ASP A 15 10.196 -5.123 2.824 1.00 0.00 N ATOM 172 CA ASP A 15 10.071 -6.027 1.694 1.00 0.00 C ATOM 173 C ASP A 15 9.183 -7.208 2.087 1.00 0.00 C ATOM 174 O ASP A 15 9.269 -7.709 3.207 1.00 0.00 O ATOM 175 CB ASP A 15 11.436 -6.579 1.277 1.00 0.00 C ATOM 176 CG ASP A 15 12.020 -7.636 2.216 1.00 0.00 C ATOM 177 OD1 ASP A 15 12.670 -7.224 3.201 1.00 0.00 O ATOM 178 OD2 ASP A 15 11.802 -8.833 1.929 1.00 0.00 O ATOM 0 H ASP A 15 11.156 -4.925 3.107 1.00 0.00 H new ATOM 0 HA ASP A 15 9.638 -5.470 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.348 -7.010 0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.140 -5.750 1.205 1.00 0.00 H new ATOM 183 N TYR A 16 8.349 -7.620 1.143 1.00 0.00 N ATOM 184 CA TYR A 16 7.445 -8.734 1.376 1.00 0.00 C ATOM 185 C TYR A 16 7.490 -9.729 0.215 1.00 0.00 C ATOM 186 O TYR A 16 7.876 -9.373 -0.897 1.00 0.00 O ATOM 187 CB TYR A 16 6.042 -8.128 1.459 1.00 0.00 C ATOM 188 CG TYR A 16 4.916 -9.164 1.463 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.913 -10.177 2.400 1.00 0.00 C ATOM 190 CD2 TYR A 16 3.904 -9.086 0.528 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.854 -11.152 2.404 1.00 0.00 C ATOM 192 CE2 TYR A 16 2.845 -10.061 0.531 1.00 0.00 C ATOM 193 CZ TYR A 16 2.872 -11.046 1.469 1.00 0.00 C ATOM 194 OH TYR A 16 1.871 -11.967 1.472 1.00 0.00 O ATOM 0 H TYR A 16 8.280 -7.202 0.215 1.00 0.00 H new ATOM 0 HA TYR A 16 7.723 -9.271 2.283 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.971 -7.525 2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.898 -7.453 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.706 -10.238 3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.907 -8.294 -0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.840 -11.949 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.047 -10.012 -0.195 1.00 0.00 H new ATOM 0 HH TYR A 16 1.733 -12.303 0.562 1.00 0.00 H new ATOM 204 N ALA A 17 7.090 -10.956 0.514 1.00 0.00 N ATOM 205 CA ALA A 17 7.080 -12.006 -0.491 1.00 0.00 C ATOM 206 C ALA A 17 5.735 -12.735 -0.447 1.00 0.00 C ATOM 207 O ALA A 17 5.417 -13.397 0.539 1.00 0.00 O ATOM 208 CB ALA A 17 8.262 -12.948 -0.257 1.00 0.00 C ATOM 0 H ALA A 17 6.770 -11.247 1.438 1.00 0.00 H new ATOM 0 HA ALA A 17 7.193 -11.583 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.254 -13.735 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.194 -12.387 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.181 -13.394 0.734 1.00 0.00 H new ATOM 214 N ALA A 18 4.983 -12.588 -1.528 1.00 0.00 N ATOM 215 CA ALA A 18 3.681 -13.225 -1.625 1.00 0.00 C ATOM 216 C ALA A 18 3.826 -14.720 -1.336 1.00 0.00 C ATOM 217 O ALA A 18 4.547 -15.425 -2.040 1.00 0.00 O ATOM 218 CB ALA A 18 3.082 -12.954 -3.007 1.00 0.00 C ATOM 0 H ALA A 18 5.251 -12.037 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 18 2.996 -12.811 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.105 -13.432 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.972 -11.879 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.742 -13.358 -3.775 1.00 0.00 H new ATOM 224 N THR A 19 3.129 -15.160 -0.298 1.00 0.00 N ATOM 225 CA THR A 19 3.171 -16.559 0.093 1.00 0.00 C ATOM 226 C THR A 19 2.236 -17.387 -0.789 1.00 0.00 C ATOM 227 O THR A 19 2.333 -18.613 -0.822 1.00 0.00 O ATOM 228 CB THR A 19 2.835 -16.643 1.583 1.00 0.00 C ATOM 229 OG1 THR A 19 1.468 -16.245 1.654 1.00 0.00 O ATOM 230 CG2 THR A 19 3.573 -15.589 2.411 1.00 0.00 C ATOM 0 H THR A 19 2.532 -14.572 0.284 1.00 0.00 H new ATOM 0 HA THR A 19 4.165 -16.982 -0.055 1.00 0.00 H new ATOM 0 HB THR A 19 3.085 -17.637 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.167 -16.272 2.586 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.298 -15.693 3.461 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.649 -15.728 2.302 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.298 -14.594 2.061 1.00 0.00 H new ATOM 238 N ASP A 20 1.352 -16.685 -1.482 1.00 0.00 N ATOM 239 CA ASP A 20 0.400 -17.341 -2.362 1.00 0.00 C ATOM 240 C ASP A 20 0.456 -16.687 -3.745 1.00 0.00 C ATOM 241 O ASP A 20 1.211 -15.740 -3.957 1.00 0.00 O ATOM 242 CB ASP A 20 -1.028 -17.202 -1.831 1.00 0.00 C ATOM 243 CG ASP A 20 -1.180 -17.405 -0.322 1.00 0.00 C ATOM 244 OD1 ASP A 20 -0.959 -18.553 0.120 1.00 0.00 O ATOM 245 OD2 ASP A 20 -1.512 -16.408 0.354 1.00 0.00 O ATOM 0 H ASP A 20 1.275 -15.668 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 20 0.663 -18.397 -2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.400 -16.210 -2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.663 -17.924 -2.345 1.00 0.00 H new ATOM 250 N GLU A 21 -0.353 -17.220 -4.649 1.00 0.00 N ATOM 251 CA GLU A 21 -0.405 -16.700 -6.005 1.00 0.00 C ATOM 252 C GLU A 21 -1.531 -15.672 -6.137 1.00 0.00 C ATOM 253 O GLU A 21 -1.955 -15.349 -7.245 1.00 0.00 O ATOM 254 CB GLU A 21 -0.575 -17.832 -7.020 1.00 0.00 C ATOM 255 CG GLU A 21 -1.960 -18.471 -6.902 1.00 0.00 C ATOM 256 CD GLU A 21 -2.066 -19.717 -7.784 1.00 0.00 C ATOM 257 OE1 GLU A 21 -1.036 -20.415 -7.906 1.00 0.00 O ATOM 258 OE2 GLU A 21 -3.174 -19.943 -8.317 1.00 0.00 O ATOM 0 H GLU A 21 -0.977 -18.006 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 21 0.541 -16.203 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.434 -17.445 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.193 -18.588 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.154 -18.739 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.723 -17.749 -7.193 1.00 0.00 H new ATOM 265 N THR A 22 -1.983 -15.187 -4.990 1.00 0.00 N ATOM 266 CA THR A 22 -3.052 -14.203 -4.963 1.00 0.00 C ATOM 267 C THR A 22 -2.614 -12.962 -4.182 1.00 0.00 C ATOM 268 O THR A 22 -3.447 -12.254 -3.617 1.00 0.00 O ATOM 269 CB THR A 22 -4.300 -14.875 -4.386 1.00 0.00 C ATOM 270 OG1 THR A 22 -3.876 -15.360 -3.115 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.693 -16.137 -5.156 1.00 0.00 C ATOM 0 H THR A 22 -1.629 -15.457 -4.072 1.00 0.00 H new ATOM 0 HA THR A 22 -3.290 -13.850 -5.966 1.00 0.00 H new ATOM 0 HB THR A 22 -5.131 -14.170 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.625 -15.809 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.584 -16.575 -4.706 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.900 -15.880 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.875 -16.857 -5.116 1.00 0.00 H new ATOM 279 N GLN A 23 -1.309 -12.736 -4.176 1.00 0.00 N ATOM 280 CA GLN A 23 -0.751 -11.593 -3.473 1.00 0.00 C ATOM 281 C GLN A 23 0.282 -10.883 -4.351 1.00 0.00 C ATOM 282 O GLN A 23 0.680 -11.404 -5.392 1.00 0.00 O ATOM 283 CB GLN A 23 -0.137 -12.016 -2.138 1.00 0.00 C ATOM 284 CG GLN A 23 -1.189 -12.656 -1.229 1.00 0.00 C ATOM 285 CD GLN A 23 -0.530 -13.393 -0.062 1.00 0.00 C ATOM 286 OE1 GLN A 23 0.568 -13.917 -0.165 1.00 0.00 O ATOM 287 NE2 GLN A 23 -1.258 -13.405 1.051 1.00 0.00 N ATOM 0 H GLN A 23 -0.622 -13.325 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.559 -10.894 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.675 -12.722 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.298 -11.148 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.860 -11.887 -0.846 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.798 -13.352 -1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.169 -12.947 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.905 -13.872 1.886 1.00 0.00 H new ATOM 296 N LEU A 24 0.687 -9.705 -3.899 1.00 0.00 N ATOM 297 CA LEU A 24 1.666 -8.919 -4.630 1.00 0.00 C ATOM 298 C LEU A 24 2.960 -8.841 -3.819 1.00 0.00 C ATOM 299 O LEU A 24 2.924 -8.684 -2.599 1.00 0.00 O ATOM 300 CB LEU A 24 1.088 -7.551 -4.998 1.00 0.00 C ATOM 301 CG LEU A 24 0.037 -7.544 -6.110 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.334 -6.113 -6.505 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.504 -8.367 -7.312 1.00 0.00 C ATOM 0 H LEU A 24 0.355 -9.276 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 24 1.911 -9.401 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.645 -7.113 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.909 -6.900 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.867 -8.018 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.083 -6.137 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.739 -5.590 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.555 -5.592 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.262 -8.345 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.430 -7.946 -7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.677 -9.398 -7.002 1.00 0.00 H new ATOM 315 N SER A 25 4.074 -8.956 -4.528 1.00 0.00 N ATOM 316 CA SER A 25 5.377 -8.901 -3.888 1.00 0.00 C ATOM 317 C SER A 25 6.095 -7.605 -4.273 1.00 0.00 C ATOM 318 O SER A 25 6.178 -7.265 -5.452 1.00 0.00 O ATOM 319 CB SER A 25 6.229 -10.113 -4.269 1.00 0.00 C ATOM 320 OG SER A 25 5.524 -11.338 -4.092 1.00 0.00 O ATOM 0 H SER A 25 4.101 -9.087 -5.539 1.00 0.00 H new ATOM 0 HA SER A 25 5.229 -8.920 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.543 -10.023 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.134 -10.125 -3.662 1.00 0.00 H new ATOM 0 HG SER A 25 6.101 -12.088 -4.348 1.00 0.00 H new ATOM 326 N PHE A 26 6.594 -6.918 -3.257 1.00 0.00 N ATOM 327 CA PHE A 26 7.302 -5.668 -3.474 1.00 0.00 C ATOM 328 C PHE A 26 8.504 -5.548 -2.535 1.00 0.00 C ATOM 329 O PHE A 26 8.694 -6.385 -1.654 1.00 0.00 O ATOM 330 CB PHE A 26 6.317 -4.538 -3.169 1.00 0.00 C ATOM 331 CG PHE A 26 5.368 -4.836 -2.006 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.773 -4.619 -0.726 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.120 -5.317 -2.253 1.00 0.00 C ATOM 334 CE1 PHE A 26 4.893 -4.896 0.353 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.240 -5.593 -1.173 1.00 0.00 C ATOM 336 CZ PHE A 26 3.645 -5.377 0.107 1.00 0.00 C ATOM 0 H PHE A 26 6.522 -7.203 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 26 7.670 -5.622 -4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.879 -3.632 -2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.727 -4.333 -4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.764 -4.236 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.798 -5.489 -3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.215 -4.725 1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.249 -5.975 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.976 -5.587 0.928 1.00 0.00 H new ATOM 346 N LEU A 27 9.283 -4.499 -2.755 1.00 0.00 N ATOM 347 CA LEU A 27 10.462 -4.259 -1.940 1.00 0.00 C ATOM 348 C LEU A 27 10.300 -2.932 -1.196 1.00 0.00 C ATOM 349 O LEU A 27 9.763 -1.970 -1.745 1.00 0.00 O ATOM 350 CB LEU A 27 11.729 -4.334 -2.794 1.00 0.00 C ATOM 351 CG LEU A 27 12.728 -3.189 -2.615 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.494 -3.330 -1.298 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.668 -3.089 -3.818 1.00 0.00 C ATOM 0 H LEU A 27 9.121 -3.806 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 27 10.568 -5.038 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.238 -5.272 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.435 -4.372 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 27 12.170 -2.254 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.197 -2.503 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.791 -3.314 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.040 -4.273 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.368 -2.267 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.221 -4.022 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.085 -2.906 -4.721 1.00 0.00 H new ATOM 365 N ARG A 28 10.773 -2.922 0.041 1.00 0.00 N ATOM 366 CA ARG A 28 10.687 -1.728 0.866 1.00 0.00 C ATOM 367 C ARG A 28 10.952 -0.480 0.022 1.00 0.00 C ATOM 368 O ARG A 28 12.001 -0.366 -0.611 1.00 0.00 O ATOM 369 CB ARG A 28 11.693 -1.781 2.017 1.00 0.00 C ATOM 370 CG ARG A 28 11.599 -0.525 2.886 1.00 0.00 C ATOM 371 CD ARG A 28 12.569 -0.600 4.066 1.00 0.00 C ATOM 372 NE ARG A 28 13.256 0.699 4.241 1.00 0.00 N ATOM 373 CZ ARG A 28 14.308 1.097 3.513 1.00 0.00 C ATOM 374 NH1 ARG A 28 14.801 0.298 2.556 1.00 0.00 N ATOM 375 NH2 ARG A 28 14.868 2.293 3.741 1.00 0.00 N ATOM 0 H ARG A 28 11.217 -3.721 0.493 1.00 0.00 H new ATOM 0 HA ARG A 28 9.680 -1.683 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.506 -2.665 2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.703 -1.877 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.821 0.356 2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.580 -0.410 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.028 -0.860 4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.302 -1.388 3.895 1.00 0.00 H new ATOM 0 HE ARG A 28 12.907 1.331 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.375 -0.612 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.602 0.601 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.493 2.901 4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.669 2.595 3.186 1.00 0.00 H new ATOM 389 N GLY A 29 9.984 0.424 0.040 1.00 0.00 N ATOM 390 CA GLY A 29 10.100 1.660 -0.715 1.00 0.00 C ATOM 391 C GLY A 29 9.246 1.610 -1.983 1.00 0.00 C ATOM 392 O GLY A 29 8.711 2.629 -2.417 1.00 0.00 O ATOM 0 H GLY A 29 9.115 0.325 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.787 2.500 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.143 1.831 -0.981 1.00 0.00 H new ATOM 396 N GLU A 30 9.144 0.413 -2.543 1.00 0.00 N ATOM 397 CA GLU A 30 8.363 0.216 -3.752 1.00 0.00 C ATOM 398 C GLU A 30 7.030 0.960 -3.651 1.00 0.00 C ATOM 399 O GLU A 30 6.336 0.862 -2.640 1.00 0.00 O ATOM 400 CB GLU A 30 8.141 -1.273 -4.025 1.00 0.00 C ATOM 401 CG GLU A 30 9.308 -1.866 -4.817 1.00 0.00 C ATOM 402 CD GLU A 30 8.831 -2.994 -5.735 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.996 -2.694 -6.615 1.00 0.00 O ATOM 404 OE2 GLU A 30 9.313 -4.130 -5.535 1.00 0.00 O ATOM 0 H GLU A 30 9.590 -0.430 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 30 8.922 0.626 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.029 -1.807 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.213 -1.410 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.783 -1.085 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.063 -2.247 -4.129 1.00 0.00 H new ATOM 411 N LYS A 31 6.713 1.687 -4.712 1.00 0.00 N ATOM 412 CA LYS A 31 5.476 2.448 -4.755 1.00 0.00 C ATOM 413 C LYS A 31 4.308 1.499 -5.034 1.00 0.00 C ATOM 414 O LYS A 31 4.074 1.116 -6.179 1.00 0.00 O ATOM 415 CB LYS A 31 5.587 3.597 -5.759 1.00 0.00 C ATOM 416 CG LYS A 31 6.198 4.838 -5.106 1.00 0.00 C ATOM 417 CD LYS A 31 7.724 4.732 -5.048 1.00 0.00 C ATOM 418 CE LYS A 31 8.301 5.704 -4.017 1.00 0.00 C ATOM 419 NZ LYS A 31 9.729 5.971 -4.299 1.00 0.00 N ATOM 0 H LYS A 31 7.291 1.765 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 31 5.284 2.917 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.201 3.287 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.599 3.838 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.913 5.727 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.800 4.957 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.012 3.712 -4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.145 4.946 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.740 6.638 -4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.194 5.287 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.105 6.632 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.263 5.080 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.823 6.389 -5.247 1.00 0.00 H new ATOM 433 N ILE A 32 3.607 1.146 -3.967 1.00 0.00 N ATOM 434 CA ILE A 32 2.469 0.249 -4.082 1.00 0.00 C ATOM 435 C ILE A 32 1.187 1.072 -4.220 1.00 0.00 C ATOM 436 O ILE A 32 0.986 2.041 -3.489 1.00 0.00 O ATOM 437 CB ILE A 32 2.444 -0.738 -2.913 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.851 -1.247 -2.594 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.468 -1.884 -3.183 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.335 -2.227 -3.664 1.00 0.00 C ATOM 0 H ILE A 32 3.805 1.465 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 32 2.554 -0.361 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 32 2.085 -0.211 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.540 -0.405 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.852 -1.736 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.470 -2.571 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.464 -1.482 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.773 -2.417 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.338 -2.574 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.657 -3.079 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.356 -1.727 -4.632 1.00 0.00 H new ATOM 452 N LEU A 33 0.354 0.657 -5.162 1.00 0.00 N ATOM 453 CA LEU A 33 -0.903 1.345 -5.405 1.00 0.00 C ATOM 454 C LEU A 33 -2.030 0.611 -4.675 1.00 0.00 C ATOM 455 O LEU A 33 -2.308 -0.552 -4.963 1.00 0.00 O ATOM 456 CB LEU A 33 -1.146 1.504 -6.907 1.00 0.00 C ATOM 457 CG LEU A 33 -1.557 2.901 -7.376 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.788 3.394 -6.612 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.387 3.881 -7.273 1.00 0.00 C ATOM 0 H LEU A 33 0.524 -0.147 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.867 2.357 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.236 1.219 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.922 0.799 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.833 2.841 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.060 4.389 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.619 2.710 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.563 3.435 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.707 4.866 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.056 3.944 -6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.436 3.532 -7.896 1.00 0.00 H new ATOM 471 N ILE A 34 -2.649 1.321 -3.743 1.00 0.00 N ATOM 472 CA ILE A 34 -3.739 0.752 -2.969 1.00 0.00 C ATOM 473 C ILE A 34 -5.067 1.065 -3.661 1.00 0.00 C ATOM 474 O ILE A 34 -5.789 1.971 -3.247 1.00 0.00 O ATOM 475 CB ILE A 34 -3.674 1.233 -1.518 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.303 0.940 -0.904 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.813 0.634 -0.690 1.00 0.00 C ATOM 478 CD1 ILE A 34 -1.876 -0.503 -1.180 1.00 0.00 C ATOM 0 H ILE A 34 -2.416 2.286 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.649 -0.333 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.805 2.315 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.563 1.627 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.338 1.113 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.743 0.992 0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.770 0.936 -1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.738 -0.453 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.899 -0.685 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.606 -1.187 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.819 -0.666 -2.256 1.00 0.00 H new ATOM 490 N LEU A 35 -5.350 0.296 -4.703 1.00 0.00 N ATOM 491 CA LEU A 35 -6.578 0.480 -5.456 1.00 0.00 C ATOM 492 C LEU A 35 -7.749 0.635 -4.484 1.00 0.00 C ATOM 493 O LEU A 35 -8.334 1.712 -4.378 1.00 0.00 O ATOM 494 CB LEU A 35 -6.763 -0.656 -6.465 1.00 0.00 C ATOM 495 CG LEU A 35 -6.309 -0.363 -7.896 1.00 0.00 C ATOM 496 CD1 LEU A 35 -4.803 -0.097 -7.950 1.00 0.00 C ATOM 497 CD2 LEU A 35 -6.726 -1.488 -8.845 1.00 0.00 C ATOM 0 H LEU A 35 -4.750 -0.455 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.529 1.395 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.218 -1.528 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.819 -0.926 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.809 0.545 -8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.506 0.108 -8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.563 0.763 -7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.266 -0.972 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.391 -1.254 -9.856 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.273 -2.425 -8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.811 -1.588 -8.837 1.00 0.00 H new ATOM 509 N ARG A 36 -8.057 -0.456 -3.799 1.00 0.00 N ATOM 510 CA ARG A 36 -9.147 -0.455 -2.839 1.00 0.00 C ATOM 511 C ARG A 36 -8.681 -1.042 -1.505 1.00 0.00 C ATOM 512 O ARG A 36 -7.694 -1.773 -1.456 1.00 0.00 O ATOM 513 CB ARG A 36 -10.338 -1.264 -3.356 1.00 0.00 C ATOM 514 CG ARG A 36 -11.256 -0.398 -4.220 1.00 0.00 C ATOM 515 CD ARG A 36 -11.507 -1.052 -5.580 1.00 0.00 C ATOM 516 NE ARG A 36 -12.116 -0.073 -6.509 1.00 0.00 N ATOM 517 CZ ARG A 36 -12.696 -0.400 -7.671 1.00 0.00 C ATOM 518 NH1 ARG A 36 -12.750 -1.683 -8.055 1.00 0.00 N ATOM 519 NH2 ARG A 36 -13.222 0.555 -8.450 1.00 0.00 N ATOM 0 H ARG A 36 -7.570 -1.348 -3.890 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.460 0.579 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.980 -2.113 -3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.900 -1.669 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.205 -0.243 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.806 0.585 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.569 -1.423 -5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.166 -1.913 -5.463 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.092 0.913 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.349 -2.410 -7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.192 -1.932 -8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.181 1.531 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.664 0.305 -9.335 1.00 0.00 H new ATOM 533 N GLN A 37 -9.415 -0.700 -0.456 1.00 0.00 N ATOM 534 CA GLN A 37 -9.089 -1.184 0.875 1.00 0.00 C ATOM 535 C GLN A 37 -9.857 -2.473 1.173 1.00 0.00 C ATOM 536 O GLN A 37 -9.267 -3.467 1.595 1.00 0.00 O ATOM 537 CB GLN A 37 -9.378 -0.117 1.933 1.00 0.00 C ATOM 538 CG GLN A 37 -8.363 1.025 1.851 1.00 0.00 C ATOM 539 CD GLN A 37 -9.067 2.375 1.698 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.892 2.578 0.822 1.00 0.00 O ATOM 541 NE2 GLN A 37 -8.697 3.283 2.596 1.00 0.00 N ATOM 0 H GLN A 37 -10.234 -0.094 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.022 -1.403 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.385 0.276 1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.346 -0.566 2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.746 1.033 2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.694 0.862 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.001 3.047 3.303 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.110 4.216 2.578 1.00 0.00 H new ATOM 550 N THR A 38 -11.160 -2.415 0.943 1.00 0.00 N ATOM 551 CA THR A 38 -12.014 -3.566 1.181 1.00 0.00 C ATOM 552 C THR A 38 -12.098 -3.866 2.679 1.00 0.00 C ATOM 553 O THR A 38 -13.159 -3.725 3.286 1.00 0.00 O ATOM 554 CB THR A 38 -11.473 -4.736 0.357 1.00 0.00 C ATOM 555 OG1 THR A 38 -11.368 -4.211 -0.964 1.00 0.00 O ATOM 556 CG2 THR A 38 -12.484 -5.877 0.225 1.00 0.00 C ATOM 0 H THR A 38 -11.646 -1.589 0.594 1.00 0.00 H new ATOM 0 HA THR A 38 -13.038 -3.371 0.862 1.00 0.00 H new ATOM 0 HB THR A 38 -10.560 -5.112 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.023 -4.904 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.050 -6.681 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.739 -6.254 1.216 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.385 -5.510 -0.266 1.00 0.00 H new ATOM 564 N THR A 39 -10.966 -4.276 3.233 1.00 0.00 N ATOM 565 CA THR A 39 -10.899 -4.597 4.648 1.00 0.00 C ATOM 566 C THR A 39 -9.755 -3.830 5.315 1.00 0.00 C ATOM 567 O THR A 39 -8.860 -3.328 4.636 1.00 0.00 O ATOM 568 CB THR A 39 -10.772 -6.116 4.783 1.00 0.00 C ATOM 569 OG1 THR A 39 -9.911 -6.489 3.711 1.00 0.00 O ATOM 570 CG2 THR A 39 -12.083 -6.842 4.477 1.00 0.00 C ATOM 0 H THR A 39 -10.088 -4.393 2.727 1.00 0.00 H new ATOM 0 HA THR A 39 -11.805 -4.285 5.168 1.00 0.00 H new ATOM 0 HB THR A 39 -10.446 -6.365 5.793 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.169 -5.852 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.938 -7.917 4.587 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.855 -6.507 5.170 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.392 -6.621 3.455 1.00 0.00 H new ATOM 578 N ALA A 40 -9.821 -3.764 6.637 1.00 0.00 N ATOM 579 CA ALA A 40 -8.802 -3.067 7.403 1.00 0.00 C ATOM 580 C ALA A 40 -7.665 -4.037 7.733 1.00 0.00 C ATOM 581 O ALA A 40 -6.788 -3.721 8.535 1.00 0.00 O ATOM 582 CB ALA A 40 -9.432 -2.459 8.657 1.00 0.00 C ATOM 0 H ALA A 40 -10.564 -4.182 7.197 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.378 -2.248 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.667 -1.936 9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.213 -1.756 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.866 -3.251 9.267 1.00 0.00 H new ATOM 588 N ASP A 41 -7.719 -5.199 7.098 1.00 0.00 N ATOM 589 CA ASP A 41 -6.705 -6.217 7.314 1.00 0.00 C ATOM 590 C ASP A 41 -6.035 -6.555 5.981 1.00 0.00 C ATOM 591 O ASP A 41 -4.816 -6.708 5.916 1.00 0.00 O ATOM 592 CB ASP A 41 -7.323 -7.501 7.871 1.00 0.00 C ATOM 593 CG ASP A 41 -7.297 -7.623 9.396 1.00 0.00 C ATOM 594 OD1 ASP A 41 -6.189 -7.848 9.928 1.00 0.00 O ATOM 595 OD2 ASP A 41 -8.386 -7.488 9.995 1.00 0.00 O ATOM 0 H ASP A 41 -8.449 -5.458 6.434 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.982 -5.825 8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.358 -7.564 7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.796 -8.355 7.444 1.00 0.00 H new ATOM 600 N TRP A 42 -6.861 -6.660 4.950 1.00 0.00 N ATOM 601 CA TRP A 42 -6.363 -6.977 3.622 1.00 0.00 C ATOM 602 C TRP A 42 -6.764 -5.838 2.683 1.00 0.00 C ATOM 603 O TRP A 42 -7.915 -5.404 2.683 1.00 0.00 O ATOM 604 CB TRP A 42 -6.873 -8.342 3.157 1.00 0.00 C ATOM 605 CG TRP A 42 -6.293 -9.523 3.938 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.734 -10.047 5.090 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.138 -10.310 3.575 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.952 -11.110 5.494 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.951 -11.275 4.544 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.281 -10.209 2.465 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.912 -12.213 4.500 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.249 -11.154 2.436 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.046 -12.132 3.404 1.00 0.00 C ATOM 0 H TRP A 42 -7.871 -6.531 5.007 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.276 -7.058 3.627 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.959 -8.361 3.244 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.635 -8.467 2.101 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.593 -9.683 5.634 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.084 -11.671 6.335 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.409 -9.462 1.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.786 -12.959 5.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.562 -11.122 1.603 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.224 -12.826 3.310 1.00 0.00 H new ATOM 624 N TRP A 43 -5.792 -5.385 1.905 1.00 0.00 N ATOM 625 CA TRP A 43 -6.028 -4.304 0.963 1.00 0.00 C ATOM 626 C TRP A 43 -5.875 -4.868 -0.451 1.00 0.00 C ATOM 627 O TRP A 43 -5.266 -5.919 -0.642 1.00 0.00 O ATOM 628 CB TRP A 43 -5.098 -3.122 1.240 1.00 0.00 C ATOM 629 CG TRP A 43 -5.394 -2.390 2.550 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.305 -2.702 3.482 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.736 -1.203 3.040 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.282 -1.807 4.532 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.298 -0.866 4.254 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.700 -0.438 2.475 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -4.890 0.242 5.007 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.303 0.666 3.239 1.00 0.00 C ATOM 637 CH2 TRP A 43 -3.859 1.018 4.463 1.00 0.00 C ATOM 0 H TRP A 43 -4.838 -5.747 1.908 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.038 -3.910 1.073 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.069 -3.480 1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.173 -2.413 0.415 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.973 -3.548 3.419 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.878 -1.832 5.360 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.246 -0.683 1.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.346 0.485 5.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.510 1.287 2.850 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.497 1.887 4.993 1.00 0.00 H new ATOM 648 N TRP A 44 -6.439 -4.143 -1.406 1.00 0.00 N ATOM 649 CA TRP A 44 -6.372 -4.557 -2.798 1.00 0.00 C ATOM 650 C TRP A 44 -5.404 -3.622 -3.524 1.00 0.00 C ATOM 651 O TRP A 44 -5.711 -2.451 -3.742 1.00 0.00 O ATOM 652 CB TRP A 44 -7.766 -4.582 -3.429 1.00 0.00 C ATOM 653 CG TRP A 44 -7.758 -4.776 -4.947 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.767 -3.833 -5.899 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.738 -6.034 -5.653 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.755 -4.389 -7.162 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.736 -5.770 -7.008 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.722 -7.352 -5.164 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.719 -6.773 -7.984 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.705 -8.343 -6.153 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.703 -8.094 -7.520 1.00 0.00 C ATOM 0 H TRP A 44 -6.944 -3.272 -1.244 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.996 -5.577 -2.880 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.346 -5.385 -2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.276 -3.648 -3.195 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.782 -2.771 -5.703 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.759 -3.880 -8.046 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.723 -7.582 -4.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.718 -6.540 -9.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.693 -9.374 -5.831 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.689 -8.915 -8.221 1.00 0.00 H new ATOM 672 N GLY A 45 -4.252 -4.174 -3.878 1.00 0.00 N ATOM 673 CA GLY A 45 -3.237 -3.404 -4.575 1.00 0.00 C ATOM 674 C GLY A 45 -3.140 -3.825 -6.043 1.00 0.00 C ATOM 675 O GLY A 45 -3.727 -4.828 -6.445 1.00 0.00 O ATOM 0 H GLY A 45 -4.000 -5.145 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.475 -2.342 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.272 -3.544 -4.088 1.00 0.00 H new ATOM 679 N GLU A 46 -2.396 -3.036 -6.804 1.00 0.00 N ATOM 680 CA GLU A 46 -2.215 -3.314 -8.219 1.00 0.00 C ATOM 681 C GLU A 46 -0.747 -3.136 -8.612 1.00 0.00 C ATOM 682 O GLU A 46 -0.186 -2.053 -8.454 1.00 0.00 O ATOM 683 CB GLU A 46 -3.123 -2.427 -9.073 1.00 0.00 C ATOM 684 CG GLU A 46 -2.855 -2.642 -10.564 1.00 0.00 C ATOM 685 CD GLU A 46 -3.478 -1.522 -11.400 1.00 0.00 C ATOM 686 OE1 GLU A 46 -2.924 -0.402 -11.351 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.493 -1.811 -12.069 1.00 0.00 O ATOM 0 H GLU A 46 -1.911 -2.204 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.497 -4.350 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.167 -2.649 -8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.959 -1.380 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.780 -2.679 -10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.263 -3.603 -10.876 1.00 0.00 H new ATOM 694 N ARG A 47 -0.167 -4.216 -9.115 1.00 0.00 N ATOM 695 CA ARG A 47 1.225 -4.193 -9.532 1.00 0.00 C ATOM 696 C ARG A 47 1.330 -3.810 -11.009 1.00 0.00 C ATOM 697 O ARG A 47 0.334 -3.448 -11.633 1.00 0.00 O ATOM 698 CB ARG A 47 1.887 -5.555 -9.316 1.00 0.00 C ATOM 699 CG ARG A 47 2.653 -5.589 -7.993 1.00 0.00 C ATOM 700 CD ARG A 47 3.948 -4.780 -8.088 1.00 0.00 C ATOM 701 NE ARG A 47 5.004 -5.589 -8.737 1.00 0.00 N ATOM 702 CZ ARG A 47 6.090 -5.072 -9.329 1.00 0.00 C ATOM 703 NH1 ARG A 47 6.270 -3.744 -9.356 1.00 0.00 N ATOM 704 NH2 ARG A 47 6.995 -5.883 -9.893 1.00 0.00 N ATOM 0 H ARG A 47 -0.636 -5.113 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 47 1.742 -3.451 -8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.128 -6.337 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.568 -5.767 -10.140 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.027 -5.188 -7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.883 -6.621 -7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.775 -3.867 -8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.271 -4.477 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 47 4.899 -6.604 -8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.581 -3.127 -8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.096 -3.350 -9.806 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.858 -6.893 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.821 -5.490 -10.344 1.00 0.00 H new ATOM 718 N ALA A 48 2.546 -3.903 -11.526 1.00 0.00 N ATOM 719 CA ALA A 48 2.795 -3.571 -12.919 1.00 0.00 C ATOM 720 C ALA A 48 2.020 -4.538 -13.816 1.00 0.00 C ATOM 721 O ALA A 48 2.423 -5.688 -13.988 1.00 0.00 O ATOM 722 CB ALA A 48 4.300 -3.602 -13.191 1.00 0.00 C ATOM 0 H ALA A 48 3.370 -4.204 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 48 2.445 -2.563 -13.141 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.486 -3.353 -14.236 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.801 -2.876 -12.550 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.687 -4.599 -12.981 1.00 0.00 H new ATOM 728 N GLY A 49 0.922 -4.038 -14.363 1.00 0.00 N ATOM 729 CA GLY A 49 0.087 -4.844 -15.237 1.00 0.00 C ATOM 730 C GLY A 49 -0.491 -6.046 -14.489 1.00 0.00 C ATOM 731 O GLY A 49 -1.084 -6.935 -15.098 1.00 0.00 O ATOM 0 H GLY A 49 0.591 -3.084 -14.218 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.724 -4.234 -15.634 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.673 -5.189 -16.089 1.00 0.00 H new ATOM 735 N CYS A 50 -0.297 -6.035 -13.178 1.00 0.00 N ATOM 736 CA CYS A 50 -0.792 -7.114 -12.339 1.00 0.00 C ATOM 737 C CYS A 50 -1.868 -6.546 -11.412 1.00 0.00 C ATOM 738 O CYS A 50 -1.962 -5.332 -11.234 1.00 0.00 O ATOM 739 CB CYS A 50 0.338 -7.787 -11.558 1.00 0.00 C ATOM 740 SG CYS A 50 0.732 -9.412 -12.302 1.00 0.00 S ATOM 0 H CYS A 50 0.196 -5.296 -12.676 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.227 -7.894 -12.964 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.223 -7.151 -11.563 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.044 -7.916 -10.516 1.00 0.00 H new ATOM 0 HG CYS A 50 1.694 -9.974 -11.633 1.00 0.00 H new ATOM 746 N CYS A 51 -2.652 -7.451 -10.844 1.00 0.00 N ATOM 747 CA CYS A 51 -3.718 -7.055 -9.939 1.00 0.00 C ATOM 748 C CYS A 51 -3.899 -8.162 -8.898 1.00 0.00 C ATOM 749 O CYS A 51 -4.347 -9.260 -9.225 1.00 0.00 O ATOM 750 CB CYS A 51 -5.017 -6.759 -10.690 1.00 0.00 C ATOM 751 SG CYS A 51 -5.468 -8.184 -11.746 1.00 0.00 S ATOM 0 H CYS A 51 -2.570 -8.457 -10.993 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.447 -6.126 -9.437 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.818 -6.554 -9.980 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.897 -5.865 -11.303 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.105 -9.288 -11.164 1.00 0.00 H new ATOM 757 N GLY A 52 -3.542 -7.835 -7.665 1.00 0.00 N ATOM 758 CA GLY A 52 -3.660 -8.787 -6.574 1.00 0.00 C ATOM 759 C GLY A 52 -3.953 -8.074 -5.252 1.00 0.00 C ATOM 760 O GLY A 52 -4.113 -6.855 -5.223 1.00 0.00 O ATOM 0 H GLY A 52 -3.171 -6.924 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.457 -9.498 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.737 -9.360 -6.485 1.00 0.00 H new ATOM 764 N TYR A 53 -4.014 -8.864 -4.191 1.00 0.00 N ATOM 765 CA TYR A 53 -4.285 -8.324 -2.869 1.00 0.00 C ATOM 766 C TYR A 53 -2.984 -8.059 -2.108 1.00 0.00 C ATOM 767 O TYR A 53 -1.930 -8.576 -2.475 1.00 0.00 O ATOM 768 CB TYR A 53 -5.085 -9.398 -2.130 1.00 0.00 C ATOM 769 CG TYR A 53 -6.601 -9.214 -2.215 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.225 -8.260 -1.437 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.345 -10.002 -3.070 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.653 -8.087 -1.518 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.772 -9.828 -3.151 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.356 -8.879 -2.371 1.00 0.00 C ATOM 775 OH TYR A 53 -10.704 -8.716 -2.447 1.00 0.00 O ATOM 0 H TYR A 53 -3.880 -9.875 -4.219 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.824 -7.379 -2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.825 -10.375 -2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.788 -9.400 -1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.643 -7.643 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.857 -10.749 -3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.154 -7.345 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.365 -10.437 -3.816 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.074 -9.349 -3.098 1.00 0.00 H new ATOM 785 N ILE A 54 -3.101 -7.253 -1.063 1.00 0.00 N ATOM 786 CA ILE A 54 -1.948 -6.914 -0.247 1.00 0.00 C ATOM 787 C ILE A 54 -2.392 -6.732 1.206 1.00 0.00 C ATOM 788 O ILE A 54 -3.528 -6.338 1.467 1.00 0.00 O ATOM 789 CB ILE A 54 -1.223 -5.697 -0.825 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.220 -4.662 -1.349 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.216 -6.117 -1.897 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.531 -3.323 -1.617 1.00 0.00 C ATOM 0 H ILE A 54 -3.977 -6.825 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.221 -7.726 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.659 -5.222 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.681 -5.028 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.021 -4.524 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.285 -5.233 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.523 -6.788 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.738 -6.629 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.262 -2.605 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.092 -2.948 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.747 -3.460 -2.361 1.00 0.00 H new ATOM 804 N PRO A 55 -1.449 -7.036 2.137 1.00 0.00 N ATOM 805 CA PRO A 55 -1.732 -6.911 3.557 1.00 0.00 C ATOM 806 C PRO A 55 -1.734 -5.443 3.988 1.00 0.00 C ATOM 807 O PRO A 55 -1.107 -4.603 3.345 1.00 0.00 O ATOM 808 CB PRO A 55 -0.654 -7.731 4.247 1.00 0.00 C ATOM 809 CG PRO A 55 0.458 -7.902 3.225 1.00 0.00 C ATOM 810 CD PRO A 55 -0.094 -7.506 1.865 1.00 0.00 C ATOM 0 HA PRO A 55 -2.724 -7.278 3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.289 -7.224 5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.043 -8.698 4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.315 -7.280 3.485 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.807 -8.935 3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.511 -6.725 1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.099 -8.352 1.178 1.00 0.00 H new ATOM 818 N ALA A 56 -2.446 -5.179 5.074 1.00 0.00 N ATOM 819 CA ALA A 56 -2.538 -3.827 5.598 1.00 0.00 C ATOM 820 C ALA A 56 -1.585 -3.680 6.787 1.00 0.00 C ATOM 821 O ALA A 56 -2.010 -3.750 7.939 1.00 0.00 O ATOM 822 CB ALA A 56 -3.989 -3.522 5.973 1.00 0.00 C ATOM 0 H ALA A 56 -2.964 -5.879 5.605 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.238 -3.101 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.058 -2.508 6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.620 -3.612 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.325 -4.229 6.732 1.00 0.00 H new ATOM 828 N ASN A 57 -0.316 -3.479 6.465 1.00 0.00 N ATOM 829 CA ASN A 57 0.700 -3.321 7.492 1.00 0.00 C ATOM 830 C ASN A 57 2.071 -3.170 6.828 1.00 0.00 C ATOM 831 O ASN A 57 2.882 -2.348 7.251 1.00 0.00 O ATOM 832 CB ASN A 57 0.751 -4.544 8.409 1.00 0.00 C ATOM 833 CG ASN A 57 1.674 -4.296 9.604 1.00 0.00 C ATOM 834 OD1 ASN A 57 2.165 -3.202 9.825 1.00 0.00 O ATOM 835 ND2 ASN A 57 1.881 -5.371 10.359 1.00 0.00 N ATOM 0 H ASN A 57 0.032 -3.422 5.508 1.00 0.00 H new ATOM 0 HA ASN A 57 0.450 -2.439 8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.253 -4.779 8.763 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.102 -5.410 7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.482 -5.309 11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.438 -6.257 10.117 1.00 0.00 H new ATOM 842 N HIS A 58 2.286 -3.977 5.800 1.00 0.00 N ATOM 843 CA HIS A 58 3.544 -3.944 5.074 1.00 0.00 C ATOM 844 C HIS A 58 3.694 -2.595 4.368 1.00 0.00 C ATOM 845 O HIS A 58 4.810 -2.135 4.129 1.00 0.00 O ATOM 846 CB HIS A 58 3.649 -5.130 4.113 1.00 0.00 C ATOM 847 CG HIS A 58 3.888 -6.455 4.798 1.00 0.00 C ATOM 848 ND1 HIS A 58 4.337 -6.554 6.103 1.00 0.00 N ATOM 849 CD2 HIS A 58 3.736 -7.732 4.345 1.00 0.00 C ATOM 850 CE1 HIS A 58 4.446 -7.838 6.412 1.00 0.00 C ATOM 851 NE2 HIS A 58 4.074 -8.567 5.320 1.00 0.00 N ATOM 0 H HIS A 58 1.610 -4.658 5.452 1.00 0.00 H new ATOM 0 HA HIS A 58 4.374 -4.044 5.774 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.731 -5.194 3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.461 -4.944 3.410 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.398 -8.016 3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.772 -8.237 7.361 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.058 -9.585 5.262 1.00 0.00 H new ATOM 859 N VAL A 59 2.554 -1.998 4.054 1.00 0.00 N ATOM 860 CA VAL A 59 2.544 -0.710 3.380 1.00 0.00 C ATOM 861 C VAL A 59 2.052 0.365 4.351 1.00 0.00 C ATOM 862 O VAL A 59 1.355 0.061 5.318 1.00 0.00 O ATOM 863 CB VAL A 59 1.703 -0.794 2.104 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.379 -1.684 1.060 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.288 -1.287 2.412 1.00 0.00 C ATOM 0 H VAL A 59 1.630 -2.382 4.254 1.00 0.00 H new ATOM 0 HA VAL A 59 3.552 -0.432 3.071 1.00 0.00 H new ATOM 0 HB VAL A 59 1.624 0.210 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.761 -1.727 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.356 -1.272 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.503 -2.689 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.289 -1.338 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.338 -2.278 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.195 -0.597 3.104 1.00 0.00 H new ATOM 875 N GLY A 60 2.434 1.600 4.059 1.00 0.00 N ATOM 876 CA GLY A 60 2.040 2.722 4.894 1.00 0.00 C ATOM 877 C GLY A 60 3.157 3.765 4.973 1.00 0.00 C ATOM 878 O GLY A 60 4.247 3.554 4.444 1.00 0.00 O ATOM 0 H GLY A 60 3.012 1.848 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.137 3.181 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.797 2.367 5.896 1.00 0.00 H new ATOM 882 N LYS A 61 2.846 4.868 5.638 1.00 0.00 N ATOM 883 CA LYS A 61 3.810 5.944 5.794 1.00 0.00 C ATOM 884 C LYS A 61 4.369 5.921 7.217 1.00 0.00 C ATOM 885 O LYS A 61 5.584 5.898 7.411 1.00 0.00 O ATOM 886 CB LYS A 61 3.185 7.284 5.400 1.00 0.00 C ATOM 887 CG LYS A 61 4.133 8.092 4.512 1.00 0.00 C ATOM 888 CD LYS A 61 3.931 7.745 3.036 1.00 0.00 C ATOM 889 CE LYS A 61 3.857 9.011 2.180 1.00 0.00 C ATOM 890 NZ LYS A 61 2.481 9.216 1.675 1.00 0.00 N ATOM 0 H LYS A 61 1.940 5.040 6.075 1.00 0.00 H new ATOM 0 HA LYS A 61 4.653 5.801 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.247 7.111 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.946 7.855 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.961 9.157 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.165 7.891 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.752 7.116 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.015 7.167 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.167 9.874 2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.550 8.932 1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.449 10.079 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.199 8.400 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.827 9.313 2.478 1.00 0.00 H new ATOM 904 N HIS A 62 3.457 5.928 8.178 1.00 0.00 N ATOM 905 CA HIS A 62 3.844 5.908 9.578 1.00 0.00 C ATOM 906 C HIS A 62 4.462 4.551 9.920 1.00 0.00 C ATOM 907 O HIS A 62 4.259 3.573 9.203 1.00 0.00 O ATOM 908 CB HIS A 62 2.655 6.260 10.475 1.00 0.00 C ATOM 909 CG HIS A 62 2.088 7.638 10.230 1.00 0.00 C ATOM 910 ND1 HIS A 62 2.846 8.791 10.340 1.00 0.00 N ATOM 911 CD2 HIS A 62 0.832 8.035 9.878 1.00 0.00 C ATOM 912 CE1 HIS A 62 2.069 9.829 10.065 1.00 0.00 C ATOM 913 NE2 HIS A 62 0.821 9.359 9.780 1.00 0.00 N ATOM 0 H HIS A 62 2.450 5.947 8.014 1.00 0.00 H new ATOM 0 HA HIS A 62 4.602 6.670 9.761 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.867 5.522 10.323 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.965 6.186 11.517 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.012 7.383 9.708 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.371 10.866 10.066 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.013 9.930 9.533 1.00 0.00 H new ATOM 921 N SER A 63 5.206 4.535 11.017 1.00 0.00 N ATOM 922 CA SER A 63 5.856 3.315 11.463 1.00 0.00 C ATOM 923 C SER A 63 6.418 3.506 12.873 1.00 0.00 C ATOM 924 O SER A 63 6.077 2.759 13.788 1.00 0.00 O ATOM 925 CB SER A 63 6.970 2.900 10.499 1.00 0.00 C ATOM 926 OG SER A 63 7.629 1.710 10.925 1.00 0.00 O ATOM 0 H SER A 63 5.373 5.348 11.610 1.00 0.00 H new ATOM 0 HA SER A 63 5.112 2.518 11.480 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.550 2.746 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.697 3.708 10.416 1.00 0.00 H new ATOM 0 HG SER A 63 8.332 1.477 10.283 1.00 0.00 H new ATOM 932 N GLY A 64 7.272 4.512 13.003 1.00 0.00 N ATOM 933 CA GLY A 64 7.885 4.811 14.286 1.00 0.00 C ATOM 934 C GLY A 64 9.409 4.869 14.165 1.00 0.00 C ATOM 935 O GLY A 64 9.962 4.586 13.104 1.00 0.00 O ATOM 0 H GLY A 64 7.553 5.129 12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.510 5.764 14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.603 4.050 15.014 1.00 0.00 H new ATOM 939 N PRO A 65 10.061 5.246 15.297 1.00 0.00 N ATOM 940 CA PRO A 65 11.511 5.344 15.328 1.00 0.00 C ATOM 941 C PRO A 65 12.153 3.957 15.379 1.00 0.00 C ATOM 942 O PRO A 65 11.479 2.966 15.657 1.00 0.00 O ATOM 943 CB PRO A 65 11.821 6.188 16.554 1.00 0.00 C ATOM 944 CG PRO A 65 10.573 6.141 17.420 1.00 0.00 C ATOM 945 CD PRO A 65 9.439 5.588 16.573 1.00 0.00 C ATOM 0 HA PRO A 65 11.921 5.804 14.429 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.684 5.794 17.091 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.062 7.213 16.272 1.00 0.00 H new ATOM 0 HG2 PRO A 65 10.739 5.512 18.294 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.325 7.137 17.787 1.00 0.00 H new ATOM 0 HD2 PRO A 65 8.987 4.713 17.040 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.647 6.325 16.442 1.00 0.00 H new ATOM 953 N SER A 66 13.450 3.930 15.107 1.00 0.00 N ATOM 954 CA SER A 66 14.191 2.680 15.118 1.00 0.00 C ATOM 955 C SER A 66 14.805 2.449 16.500 1.00 0.00 C ATOM 956 O SER A 66 15.522 3.305 17.016 1.00 0.00 O ATOM 957 CB SER A 66 15.282 2.677 14.045 1.00 0.00 C ATOM 958 OG SER A 66 14.736 2.683 12.729 1.00 0.00 O ATOM 0 H SER A 66 14.006 4.754 14.878 1.00 0.00 H new ATOM 0 HA SER A 66 13.498 1.869 14.895 1.00 0.00 H new ATOM 0 HB2 SER A 66 15.922 3.550 14.176 1.00 0.00 H new ATOM 0 HB3 SER A 66 15.913 1.797 14.172 1.00 0.00 H new ATOM 0 HG SER A 66 15.464 2.683 12.073 1.00 0.00 H new ATOM 964 N SER A 67 14.502 1.287 17.060 1.00 0.00 N ATOM 965 CA SER A 67 15.015 0.932 18.373 1.00 0.00 C ATOM 966 C SER A 67 15.604 -0.479 18.340 1.00 0.00 C ATOM 967 O SER A 67 16.782 -0.671 18.639 1.00 0.00 O ATOM 968 CB SER A 67 13.919 1.025 19.436 1.00 0.00 C ATOM 969 OG SER A 67 14.057 2.191 20.245 1.00 0.00 O ATOM 0 H SER A 67 13.908 0.579 16.629 1.00 0.00 H new ATOM 0 HA SER A 67 15.800 1.641 18.637 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.943 1.034 18.951 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.952 0.138 20.069 1.00 0.00 H new ATOM 0 HG SER A 67 13.338 2.215 20.910 1.00 0.00 H new ATOM 975 N GLY A 68 14.758 -1.431 17.973 1.00 0.00 N ATOM 976 CA GLY A 68 15.181 -2.819 17.897 1.00 0.00 C ATOM 977 C GLY A 68 16.095 -3.049 16.693 1.00 0.00 C ATOM 978 O GLY A 68 17.078 -3.783 16.786 1.00 0.00 O ATOM 0 H GLY A 68 13.782 -1.268 17.725 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.704 -3.094 18.813 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.307 -3.466 17.823 1.00 0.00 H new TER 982 GLY A 68