USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 607 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 74 CYS SG : rot 163:sc= 0.643 USER MOD Set 1.2: A 77 CYS SG : rot -49:sc= -2.37! USER MOD Set 1.3: A 90 HIS : no HE2:sc= 0.321 K(o=-1.8,f=-2.8) USER MOD Set 1.4: A 94 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 95 HIS : no HD1:sc= -0.41 X(o=-1.8,f=-1.9) USER MOD Set 2.1: A 44 CYS SG : rot 130:sc= -1.86! USER MOD Set 2.2: A 47 CYS SG : rot -61:sc= -0.879! USER MOD Set 2.3: A 60 HIS : no HD1:sc= 0.0665 K(o=-2.7,f=-3.7) USER MOD Set 2.4: A 64 HIS :FLIP no HD1:sc= -0.0732 F(o=-4.1!,f=-2.7) USER MOD Set 3.1: A 51 CYS SG : rot 130:sc= 0.52 USER MOD Set 3.2: A 56 SER OG : rot -179:sc= -0.0559 USER MOD Set 4.1: A 34 MET CE :methyl 141:sc= 0 (180deg=0) USER MOD Set 4.2: A 43 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Set 5.1: A 16 CYS SG : rot 166:sc= 0.143 USER MOD Set 5.2: A 19 CYS SG : rot 34:sc= 0.0909 USER MOD Set 5.3: A 32 HIS : no HE2:sc= -0.487 K(o=-0.59,f=-2.6) USER MOD Set 5.4: A 36 HIS :FLIP no HD1:sc= -0.335 F(o=-2.2!,f=-0.59) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 6:sc= 0.671 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 28 ASN : amide:sc= -0.901 K(o=-0.9,f=-3!) USER MOD Single : A 37 THR OG1 : rot 160:sc= 0.569 USER MOD Single : A 40 LYS NZ :NH3+ 173:sc=-0.000838 (180deg=-0.0769) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0653 X(o=-0.065,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 34:sc= 0.147 USER MOD Single : A 75 ASN : amide:sc= -0.0667 K(o=-0.067,f=-2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.475) USER MOD Single : A 83 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0625) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -100:sc= -1.44 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -139:sc= -0.701 (180deg=-2.85!) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 12 13.579 -12.647 15.640 1.00 0.00 N ATOM 37 CA ARG A 12 12.564 -12.778 14.569 1.00 0.00 C ATOM 38 C ARG A 12 12.270 -11.380 13.993 1.00 0.00 C ATOM 39 O ARG A 12 11.192 -11.112 13.450 1.00 0.00 O ATOM 40 CB ARG A 12 11.266 -13.441 15.127 1.00 0.00 C ATOM 41 CG ARG A 12 10.587 -12.656 16.277 1.00 0.00 C ATOM 42 CD ARG A 12 9.248 -13.275 16.719 1.00 0.00 C ATOM 43 NE ARG A 12 8.594 -12.478 17.778 1.00 0.00 N ATOM 44 CZ ARG A 12 7.261 -12.315 17.933 1.00 0.00 C ATOM 45 NH1 ARG A 12 6.397 -12.886 17.096 1.00 0.00 N ATOM 46 NH2 ARG A 12 6.810 -11.573 18.931 1.00 0.00 N ATOM 0 HA ARG A 12 12.943 -13.420 13.774 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.552 -13.556 14.311 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.508 -14.443 15.482 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.263 -12.617 17.131 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.418 -11.628 15.957 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.582 -13.352 15.859 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.419 -14.289 17.081 1.00 0.00 H new ATOM 0 HE ARG A 12 9.201 -12.010 18.451 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.738 -13.457 16.323 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.394 -12.752 17.228 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.466 -11.130 19.574 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.806 -11.443 19.057 1.00 0.00 H new ATOM 60 N ASP A 13 13.294 -10.528 14.056 1.00 0.00 N ATOM 61 CA ASP A 13 13.176 -9.085 13.840 1.00 0.00 C ATOM 62 C ASP A 13 14.435 -8.589 13.105 1.00 0.00 C ATOM 63 O ASP A 13 15.503 -8.378 13.681 1.00 0.00 O ATOM 64 CB ASP A 13 12.919 -8.344 15.186 1.00 0.00 C ATOM 65 CG ASP A 13 14.019 -8.540 16.245 1.00 0.00 C ATOM 66 OD1 ASP A 13 14.154 -9.666 16.776 1.00 0.00 O ATOM 67 OD2 ASP A 13 14.776 -7.585 16.530 1.00 0.00 O ATOM 0 H ASP A 13 14.247 -10.827 14.263 1.00 0.00 H new ATOM 0 HA ASP A 13 12.313 -8.864 13.211 1.00 0.00 H new ATOM 0 HB2 ASP A 13 12.813 -7.278 14.984 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.970 -8.686 15.599 1.00 0.00 H new ATOM 72 N TYR A 14 14.289 -8.527 11.787 1.00 0.00 N ATOM 73 CA TYR A 14 15.355 -8.203 10.834 1.00 0.00 C ATOM 74 C TYR A 14 15.240 -6.737 10.416 1.00 0.00 C ATOM 75 O TYR A 14 14.144 -6.258 10.089 1.00 0.00 O ATOM 76 CB TYR A 14 15.260 -9.156 9.620 1.00 0.00 C ATOM 77 CG TYR A 14 15.432 -10.639 10.008 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.393 -11.352 10.610 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.634 -11.309 9.802 1.00 0.00 C ATOM 80 CE1 TYR A 14 14.543 -12.670 10.982 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.790 -12.632 10.177 1.00 0.00 C ATOM 82 CZ TYR A 14 15.738 -13.305 10.764 1.00 0.00 C ATOM 83 OH TYR A 14 15.885 -14.623 11.141 1.00 0.00 O ATOM 0 H TYR A 14 13.394 -8.707 11.331 1.00 0.00 H new ATOM 0 HA TYR A 14 16.332 -8.341 11.296 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.294 -9.022 9.134 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.024 -8.885 8.891 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.449 -10.858 10.788 1.00 0.00 H new ATOM 0 HD2 TYR A 14 17.460 -10.787 9.341 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.723 -13.200 11.443 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.731 -13.135 10.011 1.00 0.00 H new ATOM 0 HH TYR A 14 16.789 -14.928 10.918 1.00 0.00 H new ATOM 93 N ILE A 15 16.378 -6.039 10.427 1.00 0.00 N ATOM 94 CA ILE A 15 16.434 -4.579 10.333 1.00 0.00 C ATOM 95 C ILE A 15 17.135 -4.173 9.025 1.00 0.00 C ATOM 96 O ILE A 15 18.010 -4.894 8.527 1.00 0.00 O ATOM 97 CB ILE A 15 17.205 -3.954 11.571 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.892 -4.701 12.906 1.00 0.00 C ATOM 99 CG2 ILE A 15 16.903 -2.444 11.713 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.456 -4.628 13.353 1.00 0.00 C ATOM 0 H ILE A 15 17.296 -6.477 10.502 1.00 0.00 H new ATOM 0 HA ILE A 15 15.414 -4.196 10.339 1.00 0.00 H new ATOM 0 HB ILE A 15 18.269 -4.080 11.370 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.169 -5.749 12.792 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.523 -4.288 13.693 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.445 -2.044 12.570 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.218 -1.923 10.809 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.833 -2.299 11.861 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.338 -5.176 14.288 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.175 -3.586 13.505 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.815 -5.070 12.590 1.00 0.00 H new ATOM 112 N CYS A 16 16.740 -3.016 8.478 1.00 0.00 N ATOM 113 CA CYS A 16 17.388 -2.408 7.296 1.00 0.00 C ATOM 114 C CYS A 16 18.602 -1.557 7.738 1.00 0.00 C ATOM 115 O CYS A 16 19.448 -1.210 6.917 1.00 0.00 O ATOM 116 CB CYS A 16 16.348 -1.552 6.525 1.00 0.00 C ATOM 117 SG CYS A 16 16.907 -0.874 4.939 1.00 0.00 S ATOM 0 H CYS A 16 15.959 -2.469 8.840 1.00 0.00 H new ATOM 0 HA CYS A 16 17.754 -3.189 6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.463 -2.163 6.346 1.00 0.00 H new ATOM 0 HB3 CYS A 16 16.040 -0.725 7.164 1.00 0.00 H new ATOM 0 HG CYS A 16 15.882 -0.438 4.268 1.00 0.00 H new ATOM 122 N GLU A 17 18.597 -1.167 9.042 1.00 0.00 N ATOM 123 CA GLU A 17 19.724 -0.505 9.772 1.00 0.00 C ATOM 124 C GLU A 17 19.695 1.039 9.571 1.00 0.00 C ATOM 125 O GLU A 17 20.465 1.784 10.190 1.00 0.00 O ATOM 126 CB GLU A 17 21.112 -1.133 9.421 1.00 0.00 C ATOM 127 CG GLU A 17 22.307 -0.633 10.267 1.00 0.00 C ATOM 128 CD GLU A 17 23.660 -1.201 9.808 1.00 0.00 C ATOM 129 OE1 GLU A 17 24.043 -0.967 8.639 1.00 0.00 O ATOM 130 OE2 GLU A 17 24.336 -1.899 10.596 1.00 0.00 O ATOM 0 H GLU A 17 17.782 -1.308 9.638 1.00 0.00 H new ATOM 0 HA GLU A 17 19.577 -0.692 10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.039 -2.215 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.325 -0.934 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.344 0.455 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.143 -0.904 11.310 1.00 0.00 H new ATOM 137 N TYR A 18 18.753 1.520 8.737 1.00 0.00 N ATOM 138 CA TYR A 18 18.559 2.959 8.485 1.00 0.00 C ATOM 139 C TYR A 18 17.060 3.266 8.514 1.00 0.00 C ATOM 140 O TYR A 18 16.608 4.210 9.166 1.00 0.00 O ATOM 141 CB TYR A 18 19.181 3.384 7.124 1.00 0.00 C ATOM 142 CG TYR A 18 19.283 4.910 6.984 1.00 0.00 C ATOM 143 CD1 TYR A 18 19.831 5.663 8.022 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.812 5.597 5.863 1.00 0.00 C ATOM 145 CE1 TYR A 18 19.911 7.028 7.953 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.892 6.981 5.789 1.00 0.00 C ATOM 147 CZ TYR A 18 19.440 7.690 6.839 1.00 0.00 C ATOM 148 OH TYR A 18 19.532 9.063 6.772 1.00 0.00 O ATOM 0 H TYR A 18 18.107 0.923 8.221 1.00 0.00 H new ATOM 0 HA TYR A 18 19.067 3.529 9.262 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.174 2.945 7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.576 2.986 6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.201 5.157 8.901 1.00 0.00 H new ATOM 0 HD2 TYR A 18 18.380 5.044 5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 18 20.343 7.586 8.771 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.528 7.500 4.915 1.00 0.00 H new ATOM 0 HH TYR A 18 19.157 9.375 5.922 1.00 0.00 H new ATOM 158 N CYS A 19 16.309 2.442 7.765 1.00 0.00 N ATOM 159 CA CYS A 19 14.850 2.565 7.621 1.00 0.00 C ATOM 160 C CYS A 19 14.159 1.193 7.722 1.00 0.00 C ATOM 161 O CYS A 19 13.864 0.563 6.716 1.00 0.00 O ATOM 162 CB CYS A 19 14.517 3.286 6.293 1.00 0.00 C ATOM 163 SG CYS A 19 15.618 2.845 4.915 1.00 0.00 S ATOM 0 H CYS A 19 16.703 1.663 7.237 1.00 0.00 H new ATOM 0 HA CYS A 19 14.462 3.167 8.443 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.490 3.053 6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.567 4.363 6.454 1.00 0.00 H new ATOM 0 HG CYS A 19 15.979 1.601 5.029 1.00 0.00 H new ATOM 168 N ALA A 20 14.037 0.701 8.962 1.00 0.00 N ATOM 169 CA ALA A 20 13.122 -0.397 9.344 1.00 0.00 C ATOM 170 C ALA A 20 13.093 -0.527 10.867 1.00 0.00 C ATOM 171 O ALA A 20 14.162 -0.601 11.492 1.00 0.00 O ATOM 172 CB ALA A 20 13.518 -1.749 8.721 1.00 0.00 C ATOM 0 H ALA A 20 14.580 1.058 9.748 1.00 0.00 H new ATOM 0 HA ALA A 20 12.134 -0.143 8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.811 -2.516 9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.503 -1.667 7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.520 -2.022 9.051 1.00 0.00 H new ATOM 178 N ARG A 21 11.882 -0.527 11.467 1.00 0.00 N ATOM 179 CA ARG A 21 11.738 -0.839 12.901 1.00 0.00 C ATOM 180 C ARG A 21 12.064 -2.336 13.105 1.00 0.00 C ATOM 181 O ARG A 21 12.998 -2.657 13.848 1.00 0.00 O ATOM 182 CB ARG A 21 10.343 -0.417 13.489 1.00 0.00 C ATOM 183 CG ARG A 21 9.076 -1.010 12.818 1.00 0.00 C ATOM 184 CD ARG A 21 7.786 -0.647 13.577 1.00 0.00 C ATOM 185 NE ARG A 21 6.569 -1.242 12.978 1.00 0.00 N ATOM 186 CZ ARG A 21 5.357 -1.263 13.555 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.173 -0.773 14.775 1.00 0.00 N ATOM 188 NH2 ARG A 21 4.332 -1.792 12.908 1.00 0.00 N ATOM 0 H ARG A 21 11.006 -0.318 10.988 1.00 0.00 H new ATOM 0 HA ARG A 21 12.448 -0.241 13.472 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.325 -0.691 14.544 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.272 0.670 13.441 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.006 -0.645 11.793 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.170 -2.095 12.765 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.874 -0.981 14.611 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.679 0.437 13.600 1.00 0.00 H new ATOM 0 HE ARG A 21 6.659 -1.669 12.056 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.959 -0.373 15.288 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.246 -0.796 15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.464 -2.182 11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.409 -1.810 13.342 1.00 0.00 H new ATOM 202 N ALA A 22 11.319 -3.230 12.416 1.00 0.00 N ATOM 203 CA ALA A 22 11.687 -4.642 12.230 1.00 0.00 C ATOM 204 C ALA A 22 10.701 -5.308 11.261 1.00 0.00 C ATOM 205 O ALA A 22 9.550 -4.875 11.137 1.00 0.00 O ATOM 206 CB ALA A 22 11.688 -5.391 13.569 1.00 0.00 C ATOM 0 H ALA A 22 10.436 -2.983 11.970 1.00 0.00 H new ATOM 0 HA ALA A 22 12.694 -4.685 11.815 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.963 -6.433 13.403 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.408 -4.928 14.244 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.693 -5.345 14.012 1.00 0.00 H new ATOM 212 N PHE A 23 11.177 -6.346 10.568 1.00 0.00 N ATOM 213 CA PHE A 23 10.359 -7.233 9.726 1.00 0.00 C ATOM 214 C PHE A 23 10.599 -8.676 10.174 1.00 0.00 C ATOM 215 O PHE A 23 11.673 -8.988 10.683 1.00 0.00 O ATOM 216 CB PHE A 23 10.731 -7.061 8.234 1.00 0.00 C ATOM 217 CG PHE A 23 10.288 -5.735 7.619 1.00 0.00 C ATOM 218 CD1 PHE A 23 11.114 -4.615 7.654 1.00 0.00 C ATOM 219 CD2 PHE A 23 9.046 -5.616 6.993 1.00 0.00 C ATOM 220 CE1 PHE A 23 10.712 -3.424 7.088 1.00 0.00 C ATOM 221 CE2 PHE A 23 8.647 -4.421 6.429 1.00 0.00 C ATOM 222 CZ PHE A 23 9.479 -3.327 6.475 1.00 0.00 C ATOM 0 H PHE A 23 12.164 -6.602 10.575 1.00 0.00 H new ATOM 0 HA PHE A 23 9.305 -6.979 9.836 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.812 -7.152 8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.286 -7.877 7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 23 12.081 -4.680 8.130 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.388 -6.471 6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.364 -2.564 7.124 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.681 -4.345 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.168 -2.393 6.032 1.00 0.00 H new ATOM 232 N LYS A 24 9.604 -9.557 9.983 1.00 0.00 N ATOM 233 CA LYS A 24 9.690 -10.971 10.417 1.00 0.00 C ATOM 234 C LYS A 24 10.878 -11.726 9.770 1.00 0.00 C ATOM 235 O LYS A 24 11.436 -12.650 10.374 1.00 0.00 O ATOM 236 CB LYS A 24 8.362 -11.710 10.102 1.00 0.00 C ATOM 237 CG LYS A 24 8.315 -13.171 10.604 1.00 0.00 C ATOM 238 CD LYS A 24 7.027 -13.919 10.201 1.00 0.00 C ATOM 239 CE LYS A 24 6.858 -14.060 8.677 1.00 0.00 C ATOM 240 NZ LYS A 24 5.634 -14.818 8.328 1.00 0.00 N ATOM 0 H LYS A 24 8.723 -9.318 9.528 1.00 0.00 H new ATOM 0 HA LYS A 24 9.863 -10.960 11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.537 -11.157 10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.202 -11.703 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.177 -13.710 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.404 -13.177 11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.035 -14.911 10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.165 -13.390 10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.815 -13.070 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.729 -14.564 8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.555 -14.892 7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.687 -15.771 8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.800 -14.323 8.705 1.00 0.00 H new ATOM 254 N SER A 25 11.258 -11.327 8.544 1.00 0.00 N ATOM 255 CA SER A 25 12.297 -12.014 7.756 1.00 0.00 C ATOM 256 C SER A 25 13.145 -11.002 6.959 1.00 0.00 C ATOM 257 O SER A 25 12.704 -9.878 6.699 1.00 0.00 O ATOM 258 CB SER A 25 11.629 -13.026 6.799 1.00 0.00 C ATOM 259 OG SER A 25 10.840 -13.965 7.514 1.00 0.00 O ATOM 0 H SER A 25 10.854 -10.519 8.071 1.00 0.00 H new ATOM 0 HA SER A 25 12.963 -12.543 8.438 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.005 -12.494 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.395 -13.551 6.228 1.00 0.00 H new ATOM 0 HG SER A 25 10.428 -14.593 6.884 1.00 0.00 H new ATOM 265 N SER A 26 14.381 -11.419 6.622 1.00 0.00 N ATOM 266 CA SER A 26 15.277 -10.667 5.710 1.00 0.00 C ATOM 267 C SER A 26 14.616 -10.425 4.335 1.00 0.00 C ATOM 268 O SER A 26 14.808 -9.371 3.723 1.00 0.00 O ATOM 269 CB SER A 26 16.609 -11.429 5.520 1.00 0.00 C ATOM 270 OG SER A 26 17.259 -11.666 6.760 1.00 0.00 O ATOM 0 H SER A 26 14.790 -12.285 6.972 1.00 0.00 H new ATOM 0 HA SER A 26 15.473 -9.697 6.168 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.417 -12.379 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 26 17.267 -10.855 4.868 1.00 0.00 H new ATOM 0 HG SER A 26 16.677 -11.378 7.494 1.00 0.00 H new ATOM 276 N HIS A 27 13.837 -11.420 3.858 1.00 0.00 N ATOM 277 CA HIS A 27 13.111 -11.331 2.575 1.00 0.00 C ATOM 278 C HIS A 27 11.892 -10.393 2.701 1.00 0.00 C ATOM 279 O HIS A 27 11.524 -9.707 1.743 1.00 0.00 O ATOM 280 CB HIS A 27 12.684 -12.727 2.051 1.00 0.00 C ATOM 281 CG HIS A 27 12.238 -12.693 0.615 1.00 0.00 C ATOM 282 ND1 HIS A 27 13.107 -12.449 -0.421 1.00 0.00 N ATOM 283 CD2 HIS A 27 11.013 -12.818 0.048 1.00 0.00 C ATOM 284 CE1 HIS A 27 12.449 -12.422 -1.559 1.00 0.00 C ATOM 285 NE2 HIS A 27 11.171 -12.643 -1.304 1.00 0.00 N ATOM 0 H HIS A 27 13.695 -12.302 4.349 1.00 0.00 H new ATOM 0 HA HIS A 27 13.798 -10.909 1.841 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.519 -13.420 2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.874 -13.112 2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.086 -13.018 0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 27 12.879 -12.249 -2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.425 -12.678 -1.998 1.00 0.00 H new ATOM 294 N ASN A 28 11.254 -10.416 3.878 1.00 0.00 N ATOM 295 CA ASN A 28 10.141 -9.497 4.222 1.00 0.00 C ATOM 296 C ASN A 28 10.613 -8.027 4.153 1.00 0.00 C ATOM 297 O ASN A 28 9.942 -7.167 3.585 1.00 0.00 O ATOM 298 CB ASN A 28 9.622 -9.827 5.650 1.00 0.00 C ATOM 299 CG ASN A 28 8.346 -9.076 6.077 1.00 0.00 C ATOM 300 OD1 ASN A 28 8.127 -8.844 7.266 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.489 -8.703 5.132 1.00 0.00 N ATOM 0 H ASN A 28 11.489 -11.070 4.625 1.00 0.00 H new ATOM 0 HA ASN A 28 9.333 -9.631 3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.431 -10.898 5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.412 -9.603 6.367 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.630 -8.215 5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.690 -8.905 4.153 1.00 0.00 H new ATOM 308 N LEU A 29 11.781 -7.763 4.768 1.00 0.00 N ATOM 309 CA LEU A 29 12.464 -6.450 4.712 1.00 0.00 C ATOM 310 C LEU A 29 12.960 -6.153 3.283 1.00 0.00 C ATOM 311 O LEU A 29 13.070 -4.989 2.904 1.00 0.00 O ATOM 312 CB LEU A 29 13.601 -6.400 5.808 1.00 0.00 C ATOM 313 CG LEU A 29 15.112 -6.471 5.363 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.669 -5.101 4.878 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.999 -7.057 6.490 1.00 0.00 C ATOM 0 H LEU A 29 12.283 -8.457 5.322 1.00 0.00 H new ATOM 0 HA LEU A 29 11.763 -5.650 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.470 -5.477 6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.425 -7.224 6.499 1.00 0.00 H new ATOM 0 HG LEU A 29 15.146 -7.143 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.713 -5.216 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.089 -4.754 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.596 -4.372 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.036 -7.094 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.926 -6.426 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.660 -8.064 6.733 1.00 0.00 H new ATOM 327 N ALA A 30 13.272 -7.216 2.517 1.00 0.00 N ATOM 328 CA ALA A 30 13.654 -7.107 1.085 1.00 0.00 C ATOM 329 C ALA A 30 12.494 -6.550 0.216 1.00 0.00 C ATOM 330 O ALA A 30 12.737 -5.935 -0.833 1.00 0.00 O ATOM 331 CB ALA A 30 14.166 -8.442 0.525 1.00 0.00 C ATOM 0 H ALA A 30 13.268 -8.174 2.867 1.00 0.00 H new ATOM 0 HA ALA A 30 14.475 -6.392 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.434 -8.318 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 30 15.043 -8.760 1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.385 -9.197 0.613 1.00 0.00 H new ATOM 337 N VAL A 31 11.238 -6.783 0.661 1.00 0.00 N ATOM 338 CA VAL A 31 10.036 -6.199 0.015 1.00 0.00 C ATOM 339 C VAL A 31 10.019 -4.657 0.207 1.00 0.00 C ATOM 340 O VAL A 31 9.692 -3.914 -0.721 1.00 0.00 O ATOM 341 CB VAL A 31 8.704 -6.845 0.559 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.441 -6.248 -0.121 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.739 -8.386 0.408 1.00 0.00 C ATOM 0 H VAL A 31 11.028 -7.373 1.467 1.00 0.00 H new ATOM 0 HA VAL A 31 10.090 -6.422 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 31 8.639 -6.603 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.549 -6.724 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.398 -5.175 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.488 -6.425 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.810 -8.810 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.851 -8.646 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.580 -8.788 0.973 1.00 0.00 H new ATOM 353 N HIS A 32 10.381 -4.201 1.424 1.00 0.00 N ATOM 354 CA HIS A 32 10.614 -2.762 1.732 1.00 0.00 C ATOM 355 C HIS A 32 11.824 -2.237 0.938 1.00 0.00 C ATOM 356 O HIS A 32 11.836 -1.096 0.459 1.00 0.00 O ATOM 357 CB HIS A 32 10.841 -2.569 3.279 1.00 0.00 C ATOM 358 CG HIS A 32 11.743 -1.405 3.656 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.318 -0.111 3.809 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.099 -1.370 3.832 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.382 0.656 4.050 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.495 -0.059 4.073 1.00 0.00 N ATOM 0 H HIS A 32 10.522 -4.815 2.226 1.00 0.00 H new ATOM 0 HA HIS A 32 9.734 -2.191 1.437 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.872 -2.428 3.758 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.268 -3.486 3.686 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.352 0.211 3.749 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.758 -2.225 3.790 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.340 1.724 4.206 1.00 0.00 H new ATOM 370 N ARG A 33 12.838 -3.103 0.828 1.00 0.00 N ATOM 371 CA ARG A 33 14.130 -2.808 0.190 1.00 0.00 C ATOM 372 C ARG A 33 13.991 -2.660 -1.340 1.00 0.00 C ATOM 373 O ARG A 33 14.973 -2.454 -2.008 1.00 0.00 O ATOM 374 CB ARG A 33 15.150 -3.923 0.566 1.00 0.00 C ATOM 375 CG ARG A 33 16.639 -3.586 0.340 1.00 0.00 C ATOM 376 CD ARG A 33 17.582 -4.740 0.708 1.00 0.00 C ATOM 377 NE ARG A 33 18.998 -4.329 0.596 1.00 0.00 N ATOM 378 CZ ARG A 33 19.850 -4.192 1.625 1.00 0.00 C ATOM 379 NH1 ARG A 33 19.470 -4.485 2.867 1.00 0.00 N ATOM 380 NH2 ARG A 33 21.092 -3.795 1.398 1.00 0.00 N ATOM 0 H ARG A 33 12.783 -4.055 1.190 1.00 0.00 H new ATOM 0 HA ARG A 33 14.496 -1.850 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.011 -4.175 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.909 -4.816 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.790 -3.321 -0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.900 -2.709 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.376 -5.071 1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.394 -5.590 0.052 1.00 0.00 H new ATOM 0 HE ARG A 33 19.357 -4.134 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.522 -4.818 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.126 -4.377 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.397 -3.595 0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.744 -3.689 2.175 1.00 0.00 H new ATOM 394 N MET A 34 12.738 -2.690 -1.865 1.00 0.00 N ATOM 395 CA MET A 34 12.388 -2.379 -3.286 1.00 0.00 C ATOM 396 C MET A 34 13.073 -1.079 -3.830 1.00 0.00 C ATOM 397 O MET A 34 13.187 -0.902 -5.045 1.00 0.00 O ATOM 398 CB MET A 34 10.838 -2.264 -3.407 1.00 0.00 C ATOM 399 CG MET A 34 10.200 -1.223 -2.461 1.00 0.00 C ATOM 400 SD MET A 34 8.389 -1.191 -2.505 1.00 0.00 S ATOM 401 CE MET A 34 8.071 -0.316 -4.034 1.00 0.00 C ATOM 0 H MET A 34 11.922 -2.936 -1.304 1.00 0.00 H new ATOM 0 HA MET A 34 12.767 -3.195 -3.902 1.00 0.00 H new ATOM 0 HB2 MET A 34 10.584 -2.006 -4.435 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.396 -3.240 -3.205 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.524 -1.429 -1.441 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.576 -0.234 -2.721 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.218 -0.768 -4.541 1.00 0.00 H new ATOM 0 HE2 MET A 34 7.852 0.729 -3.816 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.949 -0.376 -4.677 1.00 0.00 H new ATOM 411 N ILE A 35 13.546 -0.225 -2.901 1.00 0.00 N ATOM 412 CA ILE A 35 14.319 0.985 -3.178 1.00 0.00 C ATOM 413 C ILE A 35 15.851 0.642 -3.303 1.00 0.00 C ATOM 414 O ILE A 35 16.481 0.966 -4.322 1.00 0.00 O ATOM 415 CB ILE A 35 14.008 2.099 -2.081 1.00 0.00 C ATOM 416 CG1 ILE A 35 15.073 3.243 -2.081 1.00 0.00 C ATOM 417 CG2 ILE A 35 13.820 1.500 -0.662 1.00 0.00 C ATOM 418 CD1 ILE A 35 15.122 4.096 -3.348 1.00 0.00 C ATOM 0 H ILE A 35 13.390 -0.371 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 35 14.019 1.402 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 35 13.055 2.544 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.878 3.897 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.056 2.800 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.611 2.301 0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.987 0.797 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.730 0.980 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.894 4.859 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.352 3.462 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 35 14.155 4.576 -3.501 1.00 0.00 H new ATOM 430 N HIS A 36 16.433 -0.051 -2.286 1.00 0.00 N ATOM 431 CA HIS A 36 17.920 -0.313 -2.197 1.00 0.00 C ATOM 432 C HIS A 36 18.305 -1.749 -2.662 1.00 0.00 C ATOM 433 O HIS A 36 19.469 -2.139 -2.527 1.00 0.00 O ATOM 434 CB HIS A 36 18.479 -0.096 -0.730 1.00 0.00 C ATOM 435 CG HIS A 36 17.547 0.540 0.269 1.00 0.00 C ATOM 436 ND1 HIS A 36 16.741 -0.037 1.200 1.00 0.00 N flip ATOM 437 CD2 HIS A 36 17.419 1.890 0.445 1.00 0.00 C flip ATOM 438 CE1 HIS A 36 16.119 0.947 1.953 1.00 0.00 C flip ATOM 439 NE2 HIS A 36 16.569 2.088 1.456 1.00 0.00 N flip ATOM 0 H HIS A 36 15.903 -0.444 -1.508 1.00 0.00 H new ATOM 0 HA HIS A 36 18.375 0.413 -2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.786 -1.065 -0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.376 0.520 -0.797 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.916 2.658 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.421 0.812 2.766 1.00 0.00 H new ATOM 0 HE2 HIS A 36 16.299 3.008 1.803 1.00 0.00 H new ATOM 447 N THR A 37 17.342 -2.508 -3.193 1.00 0.00 N ATOM 448 CA THR A 37 17.442 -3.986 -3.347 1.00 0.00 C ATOM 449 C THR A 37 18.636 -4.452 -4.208 1.00 0.00 C ATOM 450 O THR A 37 19.450 -5.266 -3.751 1.00 0.00 O ATOM 451 CB THR A 37 16.088 -4.579 -3.901 1.00 0.00 C ATOM 452 OG1 THR A 37 16.215 -5.976 -4.207 1.00 0.00 O ATOM 453 CG2 THR A 37 15.561 -3.808 -5.128 1.00 0.00 C ATOM 0 H THR A 37 16.461 -2.124 -3.534 1.00 0.00 H new ATOM 0 HA THR A 37 17.630 -4.377 -2.347 1.00 0.00 H new ATOM 0 HB THR A 37 15.355 -4.461 -3.103 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.326 -6.387 -4.236 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.628 -4.258 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.384 -2.768 -4.855 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.298 -3.852 -5.930 1.00 0.00 H new ATOM 461 N GLY A 38 18.730 -3.947 -5.440 1.00 0.00 N ATOM 462 CA GLY A 38 19.708 -4.434 -6.419 1.00 0.00 C ATOM 463 C GLY A 38 19.228 -5.690 -7.158 1.00 0.00 C ATOM 464 O GLY A 38 19.590 -5.901 -8.320 1.00 0.00 O ATOM 0 H GLY A 38 18.135 -3.194 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.914 -3.647 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.647 -4.653 -5.911 1.00 0.00 H new ATOM 468 N GLU A 39 18.422 -6.539 -6.482 1.00 0.00 N ATOM 469 CA GLU A 39 17.807 -7.745 -7.080 1.00 0.00 C ATOM 470 C GLU A 39 16.471 -7.399 -7.762 1.00 0.00 C ATOM 471 O GLU A 39 16.231 -7.777 -8.922 1.00 0.00 O ATOM 472 CB GLU A 39 17.547 -8.808 -5.969 1.00 0.00 C ATOM 473 CG GLU A 39 18.780 -9.216 -5.145 1.00 0.00 C ATOM 474 CD GLU A 39 18.465 -10.304 -4.092 1.00 0.00 C ATOM 475 OE1 GLU A 39 17.766 -9.996 -3.098 1.00 0.00 O ATOM 476 OE2 GLU A 39 18.895 -11.472 -4.262 1.00 0.00 O ATOM 0 H GLU A 39 18.179 -6.406 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 39 18.494 -8.142 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.789 -8.420 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.130 -9.701 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.556 -9.582 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.183 -8.336 -4.643 1.00 0.00 H new ATOM 483 N LYS A 40 15.637 -6.660 -7.006 1.00 0.00 N ATOM 484 CA LYS A 40 14.217 -6.378 -7.298 1.00 0.00 C ATOM 485 C LYS A 40 13.343 -7.644 -7.130 1.00 0.00 C ATOM 486 O LYS A 40 13.613 -8.663 -7.772 1.00 0.00 O ATOM 487 CB LYS A 40 13.983 -5.726 -8.700 1.00 0.00 C ATOM 488 CG LYS A 40 14.541 -4.291 -8.843 1.00 0.00 C ATOM 489 CD LYS A 40 14.285 -3.699 -10.248 1.00 0.00 C ATOM 490 CE LYS A 40 14.761 -2.241 -10.368 1.00 0.00 C ATOM 491 NZ LYS A 40 16.193 -2.080 -10.004 1.00 0.00 N ATOM 0 H LYS A 40 15.947 -6.224 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 40 13.908 -5.638 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.441 -6.358 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.912 -5.708 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.082 -3.649 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.613 -4.299 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.796 -4.307 -10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.219 -3.750 -10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.608 -1.895 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.152 -1.609 -9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.497 -1.108 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.317 -2.271 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.768 -2.749 -10.555 1.00 0.00 H new ATOM 505 N PRO A 41 12.283 -7.606 -6.247 1.00 0.00 N ATOM 506 CA PRO A 41 11.207 -8.625 -6.268 1.00 0.00 C ATOM 507 C PRO A 41 10.293 -8.431 -7.506 1.00 0.00 C ATOM 508 O PRO A 41 10.594 -7.611 -8.383 1.00 0.00 O ATOM 509 CB PRO A 41 10.442 -8.392 -4.919 1.00 0.00 C ATOM 510 CG PRO A 41 11.284 -7.419 -4.135 1.00 0.00 C ATOM 511 CD PRO A 41 12.061 -6.620 -5.156 1.00 0.00 C ATOM 0 HA PRO A 41 11.580 -9.646 -6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.445 -7.990 -5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.315 -9.328 -4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.659 -6.768 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.957 -7.944 -3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.500 -5.752 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.001 -6.249 -4.749 1.00 0.00 H new ATOM 519 N LEU A 42 9.167 -9.150 -7.573 1.00 0.00 N ATOM 520 CA LEU A 42 8.250 -9.073 -8.722 1.00 0.00 C ATOM 521 C LEU A 42 7.197 -8.007 -8.399 1.00 0.00 C ATOM 522 O LEU A 42 6.238 -8.258 -7.665 1.00 0.00 O ATOM 523 CB LEU A 42 7.643 -10.470 -9.016 1.00 0.00 C ATOM 524 CG LEU A 42 8.690 -11.553 -9.453 1.00 0.00 C ATOM 525 CD1 LEU A 42 8.064 -12.955 -9.567 1.00 0.00 C ATOM 526 CD2 LEU A 42 9.387 -11.150 -10.779 1.00 0.00 C ATOM 0 H LEU A 42 8.866 -9.795 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 42 8.768 -8.780 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.125 -10.822 -8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.894 -10.369 -9.801 1.00 0.00 H new ATOM 0 HG LEU A 42 9.445 -11.601 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.827 -13.671 -9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.655 -13.251 -8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.266 -12.938 -10.309 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.108 -11.918 -11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.640 -11.049 -11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.903 -10.200 -10.644 1.00 0.00 H new ATOM 538 N GLN A 43 7.423 -6.799 -8.930 1.00 0.00 N ATOM 539 CA GLN A 43 6.712 -5.576 -8.540 1.00 0.00 C ATOM 540 C GLN A 43 6.030 -4.948 -9.764 1.00 0.00 C ATOM 541 O GLN A 43 6.656 -4.785 -10.819 1.00 0.00 O ATOM 542 CB GLN A 43 7.729 -4.574 -7.929 1.00 0.00 C ATOM 543 CG GLN A 43 7.146 -3.197 -7.551 1.00 0.00 C ATOM 544 CD GLN A 43 8.211 -2.179 -7.127 1.00 0.00 C ATOM 545 OE1 GLN A 43 9.251 -2.526 -6.561 1.00 0.00 O ATOM 546 NE2 GLN A 43 7.955 -0.913 -7.414 1.00 0.00 N ATOM 0 H GLN A 43 8.120 -6.642 -9.658 1.00 0.00 H new ATOM 0 HA GLN A 43 5.947 -5.819 -7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.166 -5.023 -7.037 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.540 -4.424 -8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.593 -2.799 -8.402 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.432 -3.324 -6.738 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.085 -0.662 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.628 -0.188 -7.166 1.00 0.00 H new ATOM 555 N CYS A 44 4.739 -4.633 -9.608 1.00 0.00 N ATOM 556 CA CYS A 44 3.980 -3.843 -10.576 1.00 0.00 C ATOM 557 C CYS A 44 4.495 -2.391 -10.565 1.00 0.00 C ATOM 558 O CYS A 44 4.224 -1.638 -9.621 1.00 0.00 O ATOM 559 CB CYS A 44 2.468 -3.879 -10.244 1.00 0.00 C ATOM 560 SG CYS A 44 1.447 -2.739 -11.234 1.00 0.00 S ATOM 0 H CYS A 44 4.190 -4.923 -8.799 1.00 0.00 H new ATOM 0 HA CYS A 44 4.118 -4.269 -11.570 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.101 -4.895 -10.391 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.335 -3.641 -9.189 1.00 0.00 H new ATOM 0 HG CYS A 44 0.435 -3.385 -11.733 1.00 0.00 H new ATOM 565 N GLU A 45 5.224 -2.018 -11.631 1.00 0.00 N ATOM 566 CA GLU A 45 5.843 -0.679 -11.802 1.00 0.00 C ATOM 567 C GLU A 45 4.820 0.363 -12.326 1.00 0.00 C ATOM 568 O GLU A 45 5.199 1.382 -12.920 1.00 0.00 O ATOM 569 CB GLU A 45 7.051 -0.804 -12.773 1.00 0.00 C ATOM 570 CG GLU A 45 6.692 -1.328 -14.184 1.00 0.00 C ATOM 571 CD GLU A 45 7.910 -1.408 -15.118 1.00 0.00 C ATOM 572 OE1 GLU A 45 8.583 -2.461 -15.143 1.00 0.00 O ATOM 573 OE2 GLU A 45 8.207 -0.413 -15.820 1.00 0.00 O ATOM 0 H GLU A 45 5.407 -2.645 -12.415 1.00 0.00 H new ATOM 0 HA GLU A 45 6.186 -0.323 -10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.523 0.173 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.790 -1.471 -12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.242 -2.317 -14.096 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.941 -0.675 -14.629 1.00 0.00 H new ATOM 580 N ILE A 46 3.531 0.138 -12.018 1.00 0.00 N ATOM 581 CA ILE A 46 2.388 0.867 -12.612 1.00 0.00 C ATOM 582 C ILE A 46 1.622 1.610 -11.476 1.00 0.00 C ATOM 583 O ILE A 46 0.702 2.387 -11.727 1.00 0.00 O ATOM 584 CB ILE A 46 1.413 -0.122 -13.355 1.00 0.00 C ATOM 585 CG1 ILE A 46 2.174 -1.135 -14.277 1.00 0.00 C ATOM 586 CG2 ILE A 46 0.337 0.642 -14.168 1.00 0.00 C ATOM 587 CD1 ILE A 46 2.977 -0.517 -15.412 1.00 0.00 C ATOM 0 H ILE A 46 3.245 -0.567 -11.338 1.00 0.00 H new ATOM 0 HA ILE A 46 2.764 1.582 -13.344 1.00 0.00 H new ATOM 0 HB ILE A 46 0.914 -0.698 -12.576 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.849 -1.725 -13.658 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.447 -1.826 -14.704 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.318 -0.073 -14.667 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.252 1.266 -13.496 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.823 1.271 -14.914 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.462 -1.306 -15.986 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.311 0.048 -16.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.734 0.150 -15.001 1.00 0.00 H new ATOM 599 N CYS A 47 2.084 1.395 -10.228 1.00 0.00 N ATOM 600 CA CYS A 47 1.411 1.787 -8.994 1.00 0.00 C ATOM 601 C CYS A 47 2.372 1.299 -7.900 1.00 0.00 C ATOM 602 O CYS A 47 3.533 1.721 -7.879 1.00 0.00 O ATOM 603 CB CYS A 47 -0.056 1.219 -8.897 1.00 0.00 C ATOM 604 SG CYS A 47 -0.208 -0.559 -8.505 1.00 0.00 S ATOM 0 H CYS A 47 2.972 0.924 -10.056 1.00 0.00 H new ATOM 0 HA CYS A 47 1.234 2.859 -8.913 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.593 1.785 -8.136 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.559 1.405 -9.846 1.00 0.00 H new ATOM 0 HG CYS A 47 0.375 -1.259 -9.432 1.00 0.00 H new ATOM 609 N GLY A 48 1.920 0.461 -7.001 1.00 0.00 N ATOM 610 CA GLY A 48 2.774 -0.413 -6.215 1.00 0.00 C ATOM 611 C GLY A 48 1.963 -1.660 -5.891 1.00 0.00 C ATOM 612 O GLY A 48 0.804 -1.498 -5.499 1.00 0.00 O ATOM 0 H GLY A 48 0.928 0.360 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.675 -0.673 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.097 0.085 -5.301 1.00 0.00 H new ATOM 616 N PHE A 49 2.505 -2.886 -6.012 1.00 0.00 N ATOM 617 CA PHE A 49 1.762 -4.137 -5.822 1.00 0.00 C ATOM 618 C PHE A 49 2.836 -5.188 -6.056 1.00 0.00 C ATOM 619 O PHE A 49 3.292 -5.337 -7.192 1.00 0.00 O ATOM 620 CB PHE A 49 0.579 -4.301 -6.833 1.00 0.00 C ATOM 621 CG PHE A 49 -0.222 -5.605 -6.690 1.00 0.00 C ATOM 622 CD1 PHE A 49 0.218 -6.788 -7.286 1.00 0.00 C ATOM 623 CD2 PHE A 49 -1.415 -5.644 -5.975 1.00 0.00 C ATOM 624 CE1 PHE A 49 -0.503 -7.964 -7.166 1.00 0.00 C ATOM 625 CE2 PHE A 49 -2.139 -6.818 -5.855 1.00 0.00 C ATOM 626 CZ PHE A 49 -1.683 -7.979 -6.452 1.00 0.00 C ATOM 0 H PHE A 49 3.486 -3.033 -6.248 1.00 0.00 H new ATOM 0 HA PHE A 49 1.282 -4.197 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.102 -3.459 -6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.977 -4.246 -7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.138 -6.786 -7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.782 -4.743 -5.506 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.142 -8.869 -7.631 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.062 -6.827 -5.294 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.249 -8.894 -6.360 1.00 0.00 H new ATOM 636 N THR A 50 3.232 -5.920 -5.027 1.00 0.00 N ATOM 637 CA THR A 50 4.429 -6.741 -5.081 1.00 0.00 C ATOM 638 C THR A 50 4.078 -8.165 -4.629 1.00 0.00 C ATOM 639 O THR A 50 3.200 -8.374 -3.776 1.00 0.00 O ATOM 640 CB THR A 50 5.573 -6.143 -4.190 1.00 0.00 C ATOM 641 OG1 THR A 50 5.681 -4.724 -4.427 1.00 0.00 O ATOM 642 CG2 THR A 50 6.945 -6.802 -4.468 1.00 0.00 C ATOM 0 H THR A 50 2.736 -5.961 -4.137 1.00 0.00 H new ATOM 0 HA THR A 50 4.798 -6.762 -6.107 1.00 0.00 H new ATOM 0 HB THR A 50 5.309 -6.344 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.395 -4.352 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.702 -6.352 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.884 -7.871 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.218 -6.648 -5.512 1.00 0.00 H new ATOM 650 N CYS A 51 4.759 -9.119 -5.230 1.00 0.00 N ATOM 651 CA CYS A 51 4.563 -10.552 -4.992 1.00 0.00 C ATOM 652 C CYS A 51 5.831 -11.318 -5.391 1.00 0.00 C ATOM 653 O CYS A 51 6.834 -10.716 -5.804 1.00 0.00 O ATOM 654 CB CYS A 51 3.323 -11.047 -5.790 1.00 0.00 C ATOM 655 SG CYS A 51 2.793 -12.730 -5.397 1.00 0.00 S ATOM 0 H CYS A 51 5.486 -8.924 -5.918 1.00 0.00 H new ATOM 0 HA CYS A 51 4.378 -10.733 -3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.492 -10.366 -5.603 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.548 -10.991 -6.855 1.00 0.00 H new ATOM 0 HG CYS A 51 1.516 -12.737 -5.154 1.00 0.00 H new ATOM 661 N ARG A 52 5.800 -12.641 -5.207 1.00 0.00 N ATOM 662 CA ARG A 52 6.830 -13.558 -5.730 1.00 0.00 C ATOM 663 C ARG A 52 6.243 -14.426 -6.864 1.00 0.00 C ATOM 664 O ARG A 52 6.952 -15.227 -7.479 1.00 0.00 O ATOM 665 CB ARG A 52 7.399 -14.447 -4.596 1.00 0.00 C ATOM 666 CG ARG A 52 6.405 -15.458 -3.983 1.00 0.00 C ATOM 667 CD ARG A 52 7.075 -16.387 -2.953 1.00 0.00 C ATOM 668 NE ARG A 52 8.268 -17.064 -3.512 1.00 0.00 N ATOM 669 CZ ARG A 52 8.327 -18.344 -3.928 1.00 0.00 C ATOM 670 NH1 ARG A 52 7.270 -19.141 -3.842 1.00 0.00 N ATOM 671 NH2 ARG A 52 9.446 -18.815 -4.449 1.00 0.00 N ATOM 0 H ARG A 52 5.059 -13.113 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 52 7.650 -12.965 -6.136 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.257 -14.997 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.769 -13.799 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.589 -14.917 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.965 -16.059 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.364 -15.808 -2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.357 -17.135 -2.618 1.00 0.00 H new ATOM 0 HE ARG A 52 9.122 -16.511 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.395 -18.787 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.333 -20.108 -4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.263 -18.210 -4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.493 -19.784 -4.765 1.00 0.00 H new ATOM 685 N GLN A 53 4.933 -14.258 -7.119 1.00 0.00 N ATOM 686 CA GLN A 53 4.219 -14.865 -8.254 1.00 0.00 C ATOM 687 C GLN A 53 3.953 -13.747 -9.276 1.00 0.00 C ATOM 688 O GLN A 53 3.110 -12.882 -9.036 1.00 0.00 O ATOM 689 CB GLN A 53 2.885 -15.514 -7.776 1.00 0.00 C ATOM 690 CG GLN A 53 3.060 -16.595 -6.690 1.00 0.00 C ATOM 691 CD GLN A 53 1.733 -17.201 -6.214 1.00 0.00 C ATOM 692 OE1 GLN A 53 1.124 -16.726 -5.259 1.00 0.00 O ATOM 693 NE2 GLN A 53 1.282 -18.254 -6.882 1.00 0.00 N ATOM 0 H GLN A 53 4.330 -13.685 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 53 4.815 -15.657 -8.707 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.231 -14.731 -7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.381 -15.957 -8.635 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.695 -17.391 -7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.580 -16.161 -5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.813 -18.623 -7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.404 -18.695 -6.607 1.00 0.00 H new ATOM 702 N LYS A 54 4.730 -13.747 -10.369 1.00 0.00 N ATOM 703 CA LYS A 54 4.655 -12.711 -11.432 1.00 0.00 C ATOM 704 C LYS A 54 3.255 -12.599 -12.057 1.00 0.00 C ATOM 705 O LYS A 54 2.846 -11.507 -12.441 1.00 0.00 O ATOM 706 CB LYS A 54 5.730 -12.962 -12.526 1.00 0.00 C ATOM 707 CG LYS A 54 5.732 -14.386 -13.127 1.00 0.00 C ATOM 708 CD LYS A 54 6.884 -14.603 -14.135 1.00 0.00 C ATOM 709 CE LYS A 54 7.011 -16.069 -14.588 1.00 0.00 C ATOM 710 NZ LYS A 54 8.172 -16.281 -15.488 1.00 0.00 N ATOM 0 H LYS A 54 5.433 -14.464 -10.549 1.00 0.00 H new ATOM 0 HA LYS A 54 4.860 -11.755 -10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.580 -12.244 -13.332 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.713 -12.763 -12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.816 -15.116 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.779 -14.568 -13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.721 -13.970 -15.008 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.823 -14.285 -13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.111 -16.710 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.097 -16.369 -15.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.217 -17.282 -15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.066 -15.690 -16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.048 -16.020 -14.992 1.00 0.00 H new ATOM 724 N ALA A 55 2.545 -13.738 -12.150 1.00 0.00 N ATOM 725 CA ALA A 55 1.146 -13.800 -12.642 1.00 0.00 C ATOM 726 C ALA A 55 0.209 -12.841 -11.860 1.00 0.00 C ATOM 727 O ALA A 55 -0.619 -12.161 -12.470 1.00 0.00 O ATOM 728 CB ALA A 55 0.609 -15.243 -12.579 1.00 0.00 C ATOM 0 H ALA A 55 2.922 -14.648 -11.886 1.00 0.00 H new ATOM 0 HA ALA A 55 1.157 -13.472 -13.681 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.418 -15.265 -12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.229 -15.889 -13.200 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.635 -15.596 -11.548 1.00 0.00 H new ATOM 734 N SER A 56 0.387 -12.791 -10.515 1.00 0.00 N ATOM 735 CA SER A 56 -0.434 -11.954 -9.594 1.00 0.00 C ATOM 736 C SER A 56 -0.502 -10.474 -10.037 1.00 0.00 C ATOM 737 O SER A 56 -1.589 -9.902 -10.160 1.00 0.00 O ATOM 738 CB SER A 56 0.120 -12.041 -8.152 1.00 0.00 C ATOM 739 OG SER A 56 0.167 -13.380 -7.698 1.00 0.00 O ATOM 0 H SER A 56 1.106 -13.331 -10.034 1.00 0.00 H new ATOM 0 HA SER A 56 -1.448 -12.352 -9.627 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.120 -11.608 -8.118 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.506 -11.450 -7.484 1.00 0.00 H new ATOM 0 HG SER A 56 0.508 -13.402 -6.779 1.00 0.00 H new ATOM 745 N LEU A 57 0.668 -9.871 -10.256 1.00 0.00 N ATOM 746 CA LEU A 57 0.793 -8.484 -10.727 1.00 0.00 C ATOM 747 C LEU A 57 0.526 -8.362 -12.238 1.00 0.00 C ATOM 748 O LEU A 57 0.076 -7.311 -12.694 1.00 0.00 O ATOM 749 CB LEU A 57 2.191 -7.883 -10.370 1.00 0.00 C ATOM 750 CG LEU A 57 3.442 -8.786 -10.672 1.00 0.00 C ATOM 751 CD1 LEU A 57 4.654 -7.960 -11.157 1.00 0.00 C ATOM 752 CD2 LEU A 57 3.822 -9.650 -9.442 1.00 0.00 C ATOM 0 H LEU A 57 1.566 -10.333 -10.111 1.00 0.00 H new ATOM 0 HA LEU A 57 0.028 -7.907 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.308 -6.946 -10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.196 -7.638 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 57 3.159 -9.454 -11.485 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.494 -8.627 -11.353 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.390 -7.430 -12.072 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.934 -7.240 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.690 -10.263 -9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.059 -9.000 -8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.984 -10.295 -9.178 1.00 0.00 H new ATOM 764 N ASN A 58 0.861 -9.409 -13.002 1.00 0.00 N ATOM 765 CA ASN A 58 0.704 -9.432 -14.474 1.00 0.00 C ATOM 766 C ASN A 58 -0.757 -9.256 -14.925 1.00 0.00 C ATOM 767 O ASN A 58 -1.032 -8.485 -15.857 1.00 0.00 O ATOM 768 CB ASN A 58 1.297 -10.744 -15.042 1.00 0.00 C ATOM 769 CG ASN A 58 1.325 -10.804 -16.568 1.00 0.00 C ATOM 770 OD1 ASN A 58 2.315 -10.439 -17.200 1.00 0.00 O ATOM 771 ND2 ASN A 58 0.233 -11.240 -17.167 1.00 0.00 N ATOM 0 H ASN A 58 1.251 -10.271 -12.621 1.00 0.00 H new ATOM 0 HA ASN A 58 1.252 -8.578 -14.872 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.313 -10.864 -14.665 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.716 -11.586 -14.666 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.192 -11.282 -18.185 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.570 -11.535 -16.612 1.00 0.00 H new ATOM 778 N TRP A 59 -1.697 -9.954 -14.258 1.00 0.00 N ATOM 779 CA TRP A 59 -3.130 -9.879 -14.633 1.00 0.00 C ATOM 780 C TRP A 59 -3.727 -8.602 -14.017 1.00 0.00 C ATOM 781 O TRP A 59 -4.618 -7.981 -14.596 1.00 0.00 O ATOM 782 CB TRP A 59 -3.939 -11.154 -14.224 1.00 0.00 C ATOM 783 CG TRP A 59 -4.326 -11.259 -12.761 1.00 0.00 C ATOM 784 CD1 TRP A 59 -3.562 -11.735 -11.733 1.00 0.00 C ATOM 785 CD2 TRP A 59 -5.592 -10.897 -12.173 1.00 0.00 C ATOM 786 NE1 TRP A 59 -4.261 -11.666 -10.552 1.00 0.00 N ATOM 787 CE2 TRP A 59 -5.505 -11.156 -10.795 1.00 0.00 C ATOM 788 CE3 TRP A 59 -6.781 -10.357 -12.681 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -6.560 -10.913 -9.923 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -7.831 -10.119 -11.810 1.00 0.00 C ATOM 791 CH2 TRP A 59 -7.711 -10.387 -10.444 1.00 0.00 C ATOM 0 H TRP A 59 -1.498 -10.568 -13.468 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.202 -9.837 -15.720 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.849 -11.189 -14.823 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.350 -12.033 -14.487 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.555 -12.111 -11.834 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.907 -11.950 -9.639 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.877 -10.131 -13.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.474 -11.132 -8.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.758 -9.719 -12.193 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.542 -10.175 -9.787 1.00 0.00 H new ATOM 802 N HIS A 60 -3.268 -8.266 -12.789 1.00 0.00 N ATOM 803 CA HIS A 60 -3.474 -6.952 -12.152 1.00 0.00 C ATOM 804 C HIS A 60 -3.059 -5.744 -13.055 1.00 0.00 C ATOM 805 O HIS A 60 -3.628 -4.652 -12.927 1.00 0.00 O ATOM 806 CB HIS A 60 -2.714 -6.977 -10.787 1.00 0.00 C ATOM 807 CG HIS A 60 -2.436 -5.656 -10.161 1.00 0.00 C ATOM 808 ND1 HIS A 60 -3.336 -4.914 -9.459 1.00 0.00 N ATOM 809 CD2 HIS A 60 -1.308 -4.947 -10.192 1.00 0.00 C ATOM 810 CE1 HIS A 60 -2.736 -3.777 -9.113 1.00 0.00 C ATOM 811 NE2 HIS A 60 -1.486 -3.740 -9.550 1.00 0.00 N ATOM 0 H HIS A 60 -2.736 -8.913 -12.207 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.540 -6.791 -11.990 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.295 -7.573 -10.083 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.765 -7.492 -10.934 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.387 -5.271 -10.654 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.208 -2.986 -8.549 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.807 -2.987 -9.437 1.00 0.00 H new ATOM 819 N MET A 61 -2.055 -5.928 -13.931 1.00 0.00 N ATOM 820 CA MET A 61 -1.660 -4.919 -14.921 1.00 0.00 C ATOM 821 C MET A 61 -2.717 -4.789 -16.047 1.00 0.00 C ATOM 822 O MET A 61 -3.006 -3.682 -16.517 1.00 0.00 O ATOM 823 CB MET A 61 -0.261 -5.270 -15.468 1.00 0.00 C ATOM 824 CG MET A 61 0.258 -4.309 -16.522 1.00 0.00 C ATOM 825 SD MET A 61 1.980 -4.622 -16.978 1.00 0.00 S ATOM 826 CE MET A 61 2.221 -3.435 -18.305 1.00 0.00 C ATOM 0 H MET A 61 -1.497 -6.781 -13.970 1.00 0.00 H new ATOM 0 HA MET A 61 -1.608 -3.941 -14.443 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.445 -5.296 -14.638 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.291 -6.274 -15.892 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.367 -4.383 -17.412 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.166 -3.288 -16.152 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.240 -3.514 -18.684 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.517 -3.643 -19.111 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.052 -2.427 -17.927 1.00 0.00 H new ATOM 836 N LYS A 62 -3.273 -5.932 -16.475 1.00 0.00 N ATOM 837 CA LYS A 62 -4.464 -5.977 -17.369 1.00 0.00 C ATOM 838 C LYS A 62 -5.669 -5.250 -16.713 1.00 0.00 C ATOM 839 O LYS A 62 -6.492 -4.633 -17.398 1.00 0.00 O ATOM 840 CB LYS A 62 -4.835 -7.455 -17.686 1.00 0.00 C ATOM 841 CG LYS A 62 -6.064 -7.647 -18.611 1.00 0.00 C ATOM 842 CD LYS A 62 -6.574 -9.106 -18.630 1.00 0.00 C ATOM 843 CE LYS A 62 -5.487 -10.118 -19.026 1.00 0.00 C ATOM 844 NZ LYS A 62 -6.006 -11.507 -19.057 1.00 0.00 N ATOM 0 H LYS A 62 -2.919 -6.854 -16.218 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.220 -5.464 -18.299 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.974 -7.937 -18.149 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.024 -7.974 -16.746 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.868 -6.990 -18.281 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.801 -7.345 -19.625 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.960 -9.363 -17.643 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.407 -9.185 -19.328 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.089 -9.858 -20.007 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.659 -10.056 -18.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.241 -12.157 -19.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.362 -11.766 -18.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.779 -11.573 -19.750 1.00 0.00 H new ATOM 858 N LYS A 63 -5.752 -5.359 -15.379 1.00 0.00 N ATOM 859 CA LYS A 63 -6.750 -4.631 -14.572 1.00 0.00 C ATOM 860 C LYS A 63 -6.539 -3.106 -14.648 1.00 0.00 C ATOM 861 O LYS A 63 -7.495 -2.351 -14.547 1.00 0.00 O ATOM 862 CB LYS A 63 -6.800 -5.119 -13.098 1.00 0.00 C ATOM 863 CG LYS A 63 -7.235 -6.587 -12.913 1.00 0.00 C ATOM 864 CD LYS A 63 -8.572 -6.931 -13.623 1.00 0.00 C ATOM 865 CE LYS A 63 -9.758 -6.049 -13.186 1.00 0.00 C ATOM 866 NZ LYS A 63 -10.017 -6.115 -11.726 1.00 0.00 N ATOM 0 H LYS A 63 -5.132 -5.952 -14.827 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.722 -4.857 -15.011 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.813 -4.989 -12.654 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.486 -4.480 -12.542 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.451 -7.241 -13.295 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.334 -6.797 -11.848 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.436 -6.832 -14.700 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.817 -7.975 -13.428 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.559 -5.015 -13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.654 -6.360 -13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.824 -5.503 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.234 -7.096 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.174 -5.792 -11.209 1.00 0.00 H new ATOM 880 N HIS A 64 -5.287 -2.647 -14.846 1.00 0.00 N ATOM 881 CA HIS A 64 -4.995 -1.204 -15.091 1.00 0.00 C ATOM 882 C HIS A 64 -5.483 -0.748 -16.487 1.00 0.00 C ATOM 883 O HIS A 64 -5.518 0.456 -16.773 1.00 0.00 O ATOM 884 CB HIS A 64 -3.483 -0.885 -14.965 1.00 0.00 C ATOM 885 CG HIS A 64 -2.927 -0.839 -13.573 1.00 0.00 C ATOM 886 ND1 HIS A 64 -2.125 -1.709 -12.912 1.00 0.00 N flip ATOM 887 CD2 HIS A 64 -3.057 0.259 -12.746 1.00 0.00 C flip ATOM 888 CE1 HIS A 64 -1.744 -1.148 -11.707 1.00 0.00 C flip ATOM 889 NE2 HIS A 64 -2.323 0.039 -11.656 1.00 0.00 N flip ATOM 0 H HIS A 64 -4.460 -3.244 -14.843 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.539 -0.657 -14.321 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.927 -1.633 -15.531 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.296 0.078 -15.440 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.649 1.140 -12.947 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.103 -1.590 -10.959 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.221 0.699 -10.885 1.00 0.00 H new ATOM 1020 N SER A 73 -14.884 -8.294 -19.766 1.00 0.00 N ATOM 1021 CA SER A 73 -14.279 -8.819 -20.976 1.00 0.00 C ATOM 1022 C SER A 73 -14.780 -10.240 -21.191 1.00 0.00 C ATOM 1023 O SER A 73 -14.674 -11.085 -20.295 1.00 0.00 O ATOM 1024 CB SER A 73 -12.729 -8.783 -20.881 1.00 0.00 C ATOM 1025 OG SER A 73 -12.247 -9.475 -19.737 1.00 0.00 O ATOM 0 HA SER A 73 -14.563 -8.200 -21.827 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.301 -9.227 -21.780 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.392 -7.747 -20.846 1.00 0.00 H new ATOM 0 HG SER A 73 -12.833 -10.236 -19.544 1.00 0.00 H new ATOM 1031 N CYS A 74 -15.368 -10.477 -22.362 1.00 0.00 N ATOM 1032 CA CYS A 74 -15.684 -11.832 -22.805 1.00 0.00 C ATOM 1033 C CYS A 74 -14.353 -12.511 -23.133 1.00 0.00 C ATOM 1034 O CYS A 74 -13.656 -12.062 -24.033 1.00 0.00 O ATOM 1035 CB CYS A 74 -16.623 -11.830 -24.031 1.00 0.00 C ATOM 1036 SG CYS A 74 -16.972 -13.499 -24.672 1.00 0.00 S ATOM 0 H CYS A 74 -15.635 -9.746 -23.022 1.00 0.00 H new ATOM 0 HA CYS A 74 -16.216 -12.372 -22.021 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -17.562 -11.348 -23.760 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -16.174 -11.230 -24.823 1.00 0.00 H new ATOM 0 HG CYS A 74 -18.020 -13.459 -25.440 1.00 0.00 H new ATOM 1041 N ASN A 75 -13.981 -13.540 -22.363 1.00 0.00 N ATOM 1042 CA ASN A 75 -12.649 -14.184 -22.477 1.00 0.00 C ATOM 1043 C ASN A 75 -12.387 -14.784 -23.879 1.00 0.00 C ATOM 1044 O ASN A 75 -11.246 -15.100 -24.211 1.00 0.00 O ATOM 1045 CB ASN A 75 -12.487 -15.274 -21.381 1.00 0.00 C ATOM 1046 CG ASN A 75 -12.494 -14.725 -19.942 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -13.117 -13.701 -19.640 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -11.829 -15.427 -19.038 1.00 0.00 N ATOM 0 H ASN A 75 -14.580 -13.953 -21.648 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.904 -13.402 -22.329 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.292 -16.001 -21.485 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.552 -15.808 -21.550 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.822 -15.127 -18.063 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.324 -16.268 -19.316 1.00 0.00 H new ATOM 1055 N ILE A 76 -13.447 -14.920 -24.712 1.00 0.00 N ATOM 1056 CA ILE A 76 -13.339 -15.569 -26.031 1.00 0.00 C ATOM 1057 C ILE A 76 -13.344 -14.546 -27.209 1.00 0.00 C ATOM 1058 O ILE A 76 -12.707 -14.795 -28.229 1.00 0.00 O ATOM 1059 CB ILE A 76 -14.489 -16.646 -26.211 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -14.715 -17.416 -24.859 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -14.172 -17.619 -27.378 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -15.563 -18.667 -24.935 1.00 0.00 C ATOM 0 H ILE A 76 -14.385 -14.587 -24.489 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.372 -16.072 -26.063 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.414 -16.131 -26.472 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.741 -17.687 -24.452 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -15.178 -16.731 -24.148 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.979 -18.345 -27.476 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -14.077 -17.055 -28.306 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.237 -18.141 -27.173 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -15.648 -19.110 -23.943 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -16.556 -18.411 -25.304 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.097 -19.382 -25.613 1.00 0.00 H new ATOM 1074 N CYS A 77 -14.043 -13.381 -27.090 1.00 0.00 N ATOM 1075 CA CYS A 77 -14.101 -12.399 -28.226 1.00 0.00 C ATOM 1076 C CYS A 77 -13.910 -10.941 -27.782 1.00 0.00 C ATOM 1077 O CYS A 77 -13.843 -10.050 -28.633 1.00 0.00 O ATOM 1078 CB CYS A 77 -15.421 -12.562 -29.029 1.00 0.00 C ATOM 1079 SG CYS A 77 -16.937 -12.019 -28.180 1.00 0.00 S ATOM 0 H CYS A 77 -14.558 -13.101 -26.255 1.00 0.00 H new ATOM 0 HA CYS A 77 -13.257 -12.633 -28.875 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -15.329 -12.003 -29.960 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -15.534 -13.612 -29.297 1.00 0.00 H new ATOM 0 HG CYS A 77 -16.975 -12.535 -26.987 1.00 0.00 H new ATOM 1084 N GLY A 78 -13.820 -10.697 -26.460 1.00 0.00 N ATOM 1085 CA GLY A 78 -13.555 -9.361 -25.908 1.00 0.00 C ATOM 1086 C GLY A 78 -14.621 -8.338 -26.266 1.00 0.00 C ATOM 1087 O GLY A 78 -14.322 -7.164 -26.492 1.00 0.00 O ATOM 0 H GLY A 78 -13.929 -11.421 -25.749 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.480 -9.433 -24.823 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.589 -9.011 -26.272 1.00 0.00 H new ATOM 1091 N LYS A 79 -15.870 -8.822 -26.359 1.00 0.00 N ATOM 1092 CA LYS A 79 -17.033 -8.023 -26.768 1.00 0.00 C ATOM 1093 C LYS A 79 -17.368 -6.904 -25.736 1.00 0.00 C ATOM 1094 O LYS A 79 -17.795 -5.824 -26.143 1.00 0.00 O ATOM 1095 CB LYS A 79 -18.230 -9.002 -26.984 1.00 0.00 C ATOM 1096 CG LYS A 79 -19.217 -8.622 -28.106 1.00 0.00 C ATOM 1097 CD LYS A 79 -20.011 -7.331 -27.833 1.00 0.00 C ATOM 1098 CE LYS A 79 -20.956 -6.939 -28.978 1.00 0.00 C ATOM 1099 NZ LYS A 79 -21.624 -5.633 -28.724 1.00 0.00 N ATOM 0 H LYS A 79 -16.102 -9.793 -26.149 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.813 -7.498 -27.698 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -17.830 -9.993 -27.199 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -18.785 -9.078 -26.049 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -18.664 -8.506 -29.038 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -19.918 -9.443 -28.252 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -20.593 -7.458 -26.920 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -19.311 -6.515 -27.654 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -20.394 -6.884 -29.910 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -21.711 -7.714 -29.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -22.253 -5.404 -29.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -22.181 -5.693 -27.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -20.905 -4.888 -28.626 1.00 0.00 H new ATOM 1113 N LYS A 80 -17.165 -7.184 -24.420 1.00 0.00 N ATOM 1114 CA LYS A 80 -17.496 -6.265 -23.293 1.00 0.00 C ATOM 1115 C LYS A 80 -19.020 -6.211 -23.074 1.00 0.00 C ATOM 1116 O LYS A 80 -19.775 -5.857 -23.976 1.00 0.00 O ATOM 1117 CB LYS A 80 -16.938 -4.797 -23.445 1.00 0.00 C ATOM 1118 CG LYS A 80 -15.471 -4.565 -23.033 1.00 0.00 C ATOM 1119 CD LYS A 80 -14.453 -5.282 -23.934 1.00 0.00 C ATOM 1120 CE LYS A 80 -13.005 -4.903 -23.591 1.00 0.00 C ATOM 1121 NZ LYS A 80 -12.613 -5.341 -22.222 1.00 0.00 N ATOM 0 H LYS A 80 -16.761 -8.067 -24.107 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.991 -6.691 -22.426 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.050 -4.497 -24.487 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.566 -4.132 -22.853 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.264 -3.495 -23.047 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.334 -4.903 -22.006 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.578 -6.360 -23.834 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.655 -5.033 -24.976 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.332 -5.353 -24.320 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.886 -3.823 -23.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.360 -4.510 -21.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.410 -5.838 -21.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.796 -5.981 -22.283 1.00 0.00 H new ATOM 1135 N PHE A 81 -19.445 -6.598 -21.867 1.00 0.00 N ATOM 1136 CA PHE A 81 -20.852 -6.523 -21.426 1.00 0.00 C ATOM 1137 C PHE A 81 -20.937 -5.801 -20.077 1.00 0.00 C ATOM 1138 O PHE A 81 -19.928 -5.643 -19.387 1.00 0.00 O ATOM 1139 CB PHE A 81 -21.465 -7.943 -21.331 1.00 0.00 C ATOM 1140 CG PHE A 81 -21.592 -8.638 -22.684 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -20.503 -9.291 -23.262 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -22.797 -8.615 -23.391 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -20.620 -9.897 -24.493 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -22.908 -9.221 -24.626 1.00 0.00 C ATOM 1145 CZ PHE A 81 -21.822 -9.862 -25.173 1.00 0.00 C ATOM 0 H PHE A 81 -18.819 -6.977 -21.157 1.00 0.00 H new ATOM 0 HA PHE A 81 -21.425 -5.957 -22.160 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -20.848 -8.554 -20.673 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -22.451 -7.875 -20.871 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -19.559 -9.322 -22.739 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -23.654 -8.116 -22.965 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -19.770 -10.401 -24.928 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -23.846 -9.192 -25.161 1.00 0.00 H new ATOM 0 HZ PHE A 81 -21.909 -10.340 -26.138 1.00 0.00 H new ATOM 1155 N GLU A 82 -22.146 -5.341 -19.735 1.00 0.00 N ATOM 1156 CA GLU A 82 -22.410 -4.604 -18.491 1.00 0.00 C ATOM 1157 C GLU A 82 -22.325 -5.501 -17.239 1.00 0.00 C ATOM 1158 O GLU A 82 -22.017 -5.018 -16.151 1.00 0.00 O ATOM 1159 CB GLU A 82 -23.791 -3.905 -18.585 1.00 0.00 C ATOM 1160 CG GLU A 82 -23.992 -3.037 -19.851 1.00 0.00 C ATOM 1161 CD GLU A 82 -22.937 -1.927 -20.008 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -23.149 -0.813 -19.485 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -21.889 -2.160 -20.658 1.00 0.00 O ATOM 0 H GLU A 82 -22.974 -5.470 -20.316 1.00 0.00 H new ATOM 0 HA GLU A 82 -21.629 -3.852 -18.378 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -24.571 -4.666 -18.555 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -23.925 -3.276 -17.705 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.965 -3.680 -20.731 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -24.983 -2.584 -19.818 1.00 0.00 H new ATOM 1170 N LYS A 83 -22.615 -6.803 -17.401 1.00 0.00 N ATOM 1171 CA LYS A 83 -22.540 -7.777 -16.323 1.00 0.00 C ATOM 1172 C LYS A 83 -22.054 -9.110 -16.889 1.00 0.00 C ATOM 1173 O LYS A 83 -22.252 -9.410 -18.071 1.00 0.00 O ATOM 1174 CB LYS A 83 -23.902 -7.917 -15.562 1.00 0.00 C ATOM 1175 CG LYS A 83 -25.184 -7.973 -16.438 1.00 0.00 C ATOM 1176 CD LYS A 83 -25.699 -6.579 -16.876 1.00 0.00 C ATOM 1177 CE LYS A 83 -26.975 -6.636 -17.736 1.00 0.00 C ATOM 1178 NZ LYS A 83 -27.393 -5.293 -18.216 1.00 0.00 N ATOM 0 H LYS A 83 -22.909 -7.202 -18.293 1.00 0.00 H new ATOM 0 HA LYS A 83 -21.823 -7.429 -15.579 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -23.863 -8.823 -14.957 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -23.996 -7.077 -14.874 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -24.981 -8.571 -17.326 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -25.971 -8.484 -15.883 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -25.896 -5.978 -15.988 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -24.915 -6.071 -17.437 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -26.804 -7.288 -18.592 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -27.783 -7.079 -17.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -28.309 -5.368 -18.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -27.484 -4.647 -17.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -26.679 -4.922 -18.875 1.00 0.00 H new ATOM 1192 N LYS A 84 -21.382 -9.880 -16.033 1.00 0.00 N ATOM 1193 CA LYS A 84 -20.785 -11.169 -16.402 1.00 0.00 C ATOM 1194 C LYS A 84 -21.839 -12.227 -16.763 1.00 0.00 C ATOM 1195 O LYS A 84 -21.521 -13.155 -17.500 1.00 0.00 O ATOM 1196 CB LYS A 84 -19.870 -11.706 -15.279 1.00 0.00 C ATOM 1197 CG LYS A 84 -18.614 -10.852 -15.015 1.00 0.00 C ATOM 1198 CD LYS A 84 -17.662 -11.506 -13.989 1.00 0.00 C ATOM 1199 CE LYS A 84 -18.325 -11.740 -12.628 1.00 0.00 C ATOM 1200 NZ LYS A 84 -17.471 -12.549 -11.732 1.00 0.00 N ATOM 0 H LYS A 84 -21.234 -9.627 -15.056 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.185 -10.980 -17.292 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -20.448 -11.774 -14.358 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -19.558 -12.719 -15.535 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.081 -10.695 -15.953 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.916 -9.870 -14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.308 -12.458 -14.384 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.786 -10.871 -13.857 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.538 -10.780 -12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -19.281 -12.244 -12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.954 -12.685 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.288 -13.475 -12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.569 -12.057 -11.575 1.00 0.00 H new ATOM 1214 N ASP A 85 -23.082 -12.100 -16.243 1.00 0.00 N ATOM 1215 CA ASP A 85 -24.174 -13.026 -16.626 1.00 0.00 C ATOM 1216 C ASP A 85 -24.578 -12.767 -18.081 1.00 0.00 C ATOM 1217 O ASP A 85 -25.026 -13.685 -18.762 1.00 0.00 O ATOM 1218 CB ASP A 85 -25.408 -12.971 -15.673 1.00 0.00 C ATOM 1219 CG ASP A 85 -26.365 -11.780 -15.897 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -27.309 -11.897 -16.726 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -26.190 -10.745 -15.231 1.00 0.00 O ATOM 0 H ASP A 85 -23.351 -11.381 -15.571 1.00 0.00 H new ATOM 0 HA ASP A 85 -23.785 -14.040 -16.528 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -25.974 -13.896 -15.785 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -25.050 -12.939 -14.644 1.00 0.00 H new ATOM 1226 N SER A 86 -24.397 -11.509 -18.563 1.00 0.00 N ATOM 1227 CA SER A 86 -24.582 -11.184 -19.986 1.00 0.00 C ATOM 1228 C SER A 86 -23.500 -11.860 -20.850 1.00 0.00 C ATOM 1229 O SER A 86 -23.759 -12.220 -21.991 1.00 0.00 O ATOM 1230 CB SER A 86 -24.570 -9.659 -20.209 1.00 0.00 C ATOM 1231 OG SER A 86 -25.591 -9.027 -19.471 1.00 0.00 O ATOM 0 H SER A 86 -24.125 -10.714 -17.984 1.00 0.00 H new ATOM 0 HA SER A 86 -25.555 -11.568 -20.291 1.00 0.00 H new ATOM 0 HB2 SER A 86 -23.602 -9.254 -19.916 1.00 0.00 H new ATOM 0 HB3 SER A 86 -24.698 -9.443 -21.270 1.00 0.00 H new ATOM 0 HG SER A 86 -26.350 -8.835 -20.061 1.00 0.00 H new ATOM 1237 N VAL A 87 -22.298 -12.025 -20.269 1.00 0.00 N ATOM 1238 CA VAL A 87 -21.123 -12.616 -20.950 1.00 0.00 C ATOM 1239 C VAL A 87 -21.287 -14.136 -21.065 1.00 0.00 C ATOM 1240 O VAL A 87 -21.070 -14.711 -22.125 1.00 0.00 O ATOM 1241 CB VAL A 87 -19.767 -12.306 -20.185 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -18.555 -13.001 -20.850 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -19.516 -10.788 -20.053 1.00 0.00 C ATOM 0 H VAL A 87 -22.109 -11.751 -19.305 1.00 0.00 H new ATOM 0 HA VAL A 87 -21.070 -12.162 -21.940 1.00 0.00 H new ATOM 0 HB VAL A 87 -19.878 -12.717 -19.182 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -17.648 -12.762 -20.294 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -18.708 -14.080 -20.848 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -18.454 -12.651 -21.877 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -18.578 -10.619 -19.524 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -19.458 -10.341 -21.045 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -20.334 -10.331 -19.497 1.00 0.00 H new ATOM 1253 N VAL A 88 -21.663 -14.751 -19.936 1.00 0.00 N ATOM 1254 CA VAL A 88 -21.772 -16.213 -19.762 1.00 0.00 C ATOM 1255 C VAL A 88 -23.008 -16.738 -20.504 1.00 0.00 C ATOM 1256 O VAL A 88 -22.972 -17.825 -21.104 1.00 0.00 O ATOM 1257 CB VAL A 88 -21.820 -16.595 -18.230 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -22.093 -18.111 -18.012 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -20.500 -16.165 -17.533 1.00 0.00 C ATOM 0 H VAL A 88 -21.908 -14.234 -19.092 1.00 0.00 H new ATOM 0 HA VAL A 88 -20.887 -16.685 -20.190 1.00 0.00 H new ATOM 0 HB VAL A 88 -22.653 -16.056 -17.779 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -22.117 -18.326 -16.944 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -23.052 -18.376 -18.457 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -21.301 -18.695 -18.482 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -20.542 -16.432 -16.477 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -19.658 -16.674 -18.003 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -20.372 -15.087 -17.629 1.00 0.00 H new ATOM 1269 N ALA A 89 -24.085 -15.922 -20.496 1.00 0.00 N ATOM 1270 CA ALA A 89 -25.307 -16.221 -21.273 1.00 0.00 C ATOM 1271 C ALA A 89 -24.970 -16.183 -22.766 1.00 0.00 C ATOM 1272 O ALA A 89 -25.360 -17.066 -23.529 1.00 0.00 O ATOM 1273 CB ALA A 89 -26.458 -15.239 -20.958 1.00 0.00 C ATOM 0 H ALA A 89 -24.132 -15.054 -19.962 1.00 0.00 H new ATOM 0 HA ALA A 89 -25.655 -17.215 -20.990 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -27.333 -15.501 -21.554 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -26.709 -15.300 -19.899 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -26.146 -14.223 -21.199 1.00 0.00 H new ATOM 1279 N HIS A 90 -24.166 -15.176 -23.139 1.00 0.00 N ATOM 1280 CA HIS A 90 -23.699 -14.971 -24.525 1.00 0.00 C ATOM 1281 C HIS A 90 -22.665 -16.047 -24.922 1.00 0.00 C ATOM 1282 O HIS A 90 -22.557 -16.392 -26.080 1.00 0.00 O ATOM 1283 CB HIS A 90 -23.139 -13.514 -24.665 1.00 0.00 C ATOM 1284 CG HIS A 90 -21.980 -13.314 -25.599 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -22.096 -12.958 -26.919 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -20.656 -13.367 -25.341 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -20.862 -12.806 -27.407 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -19.948 -13.046 -26.478 1.00 0.00 N ATOM 0 H HIS A 90 -23.817 -14.475 -22.486 1.00 0.00 H new ATOM 0 HA HIS A 90 -24.532 -15.081 -25.219 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -23.954 -12.868 -24.993 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -22.839 -13.170 -23.675 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -22.967 -12.832 -27.434 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -20.218 -13.622 -24.387 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -20.638 -12.524 -28.425 1.00 0.00 H new ATOM 1296 N LYS A 91 -21.905 -16.542 -23.939 1.00 0.00 N ATOM 1297 CA LYS A 91 -20.819 -17.527 -24.137 1.00 0.00 C ATOM 1298 C LYS A 91 -21.422 -18.897 -24.477 1.00 0.00 C ATOM 1299 O LYS A 91 -20.944 -19.611 -25.361 1.00 0.00 O ATOM 1300 CB LYS A 91 -19.942 -17.621 -22.854 1.00 0.00 C ATOM 1301 CG LYS A 91 -18.728 -18.567 -22.961 1.00 0.00 C ATOM 1302 CD LYS A 91 -17.948 -18.716 -21.633 1.00 0.00 C ATOM 1303 CE LYS A 91 -17.349 -17.389 -21.122 1.00 0.00 C ATOM 1304 NZ LYS A 91 -16.582 -17.577 -19.864 1.00 0.00 N ATOM 0 H LYS A 91 -22.024 -16.269 -22.964 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.186 -17.205 -24.964 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -19.584 -16.622 -22.603 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -20.570 -17.952 -22.027 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -19.070 -19.550 -23.286 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.053 -18.194 -23.731 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.615 -19.122 -20.872 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.144 -19.439 -21.771 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.696 -16.967 -21.886 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.150 -16.669 -20.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.196 -16.663 -19.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.211 -17.956 -19.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.802 -18.244 -20.030 1.00 0.00 H new ATOM 1318 N ALA A 92 -22.510 -19.219 -23.764 1.00 0.00 N ATOM 1319 CA ALA A 92 -23.262 -20.468 -23.934 1.00 0.00 C ATOM 1320 C ALA A 92 -24.004 -20.521 -25.289 1.00 0.00 C ATOM 1321 O ALA A 92 -24.383 -21.604 -25.753 1.00 0.00 O ATOM 1322 CB ALA A 92 -24.240 -20.639 -22.760 1.00 0.00 C ATOM 0 H ALA A 92 -22.897 -18.610 -23.043 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.553 -21.296 -23.937 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -24.799 -21.566 -22.885 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -23.682 -20.675 -21.824 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -24.933 -19.798 -22.738 1.00 0.00 H new ATOM 1328 N LYS A 93 -24.207 -19.347 -25.912 1.00 0.00 N ATOM 1329 CA LYS A 93 -24.976 -19.219 -27.175 1.00 0.00 C ATOM 1330 C LYS A 93 -24.062 -18.973 -28.397 1.00 0.00 C ATOM 1331 O LYS A 93 -24.271 -19.553 -29.469 1.00 0.00 O ATOM 1332 CB LYS A 93 -25.983 -18.051 -27.037 1.00 0.00 C ATOM 1333 CG LYS A 93 -27.027 -18.235 -25.912 1.00 0.00 C ATOM 1334 CD LYS A 93 -27.935 -16.992 -25.688 1.00 0.00 C ATOM 1335 CE LYS A 93 -28.950 -16.732 -26.822 1.00 0.00 C ATOM 1336 NZ LYS A 93 -28.329 -16.274 -28.092 1.00 0.00 N ATOM 0 H LYS A 93 -23.847 -18.460 -25.561 1.00 0.00 H new ATOM 0 HA LYS A 93 -25.498 -20.160 -27.345 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -25.429 -17.130 -26.855 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -26.507 -17.926 -27.985 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -27.655 -19.094 -26.149 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -26.508 -18.466 -24.982 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -28.479 -17.118 -24.752 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -27.303 -16.111 -25.573 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -29.510 -17.648 -27.012 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -29.668 -15.983 -26.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -28.911 -15.521 -28.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -27.375 -15.908 -27.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -28.266 -17.072 -28.756 1.00 0.00 H new ATOM 1350 N SER A 94 -23.051 -18.109 -28.221 1.00 0.00 N ATOM 1351 CA SER A 94 -22.171 -17.632 -29.307 1.00 0.00 C ATOM 1352 C SER A 94 -20.906 -18.498 -29.422 1.00 0.00 C ATOM 1353 O SER A 94 -20.286 -18.554 -30.484 1.00 0.00 O ATOM 1354 CB SER A 94 -21.778 -16.145 -29.075 1.00 0.00 C ATOM 1355 OG SER A 94 -20.860 -15.676 -30.046 1.00 0.00 O ATOM 0 H SER A 94 -22.816 -17.715 -27.310 1.00 0.00 H new ATOM 0 HA SER A 94 -22.725 -17.713 -30.242 1.00 0.00 H new ATOM 0 HB2 SER A 94 -22.675 -15.526 -29.097 1.00 0.00 H new ATOM 0 HB3 SER A 94 -21.341 -16.037 -28.082 1.00 0.00 H new ATOM 0 HG SER A 94 -20.641 -14.738 -29.864 1.00 0.00 H new ATOM 1361 N HIS A 95 -20.536 -19.185 -28.319 1.00 0.00 N ATOM 1362 CA HIS A 95 -19.276 -19.961 -28.227 1.00 0.00 C ATOM 1363 C HIS A 95 -19.487 -21.409 -27.658 1.00 0.00 C ATOM 1364 O HIS A 95 -18.683 -21.840 -26.819 1.00 0.00 O ATOM 1365 CB HIS A 95 -18.266 -19.193 -27.317 1.00 0.00 C ATOM 1366 CG HIS A 95 -18.053 -17.731 -27.621 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -17.646 -17.240 -28.837 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -18.146 -16.659 -26.800 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -17.510 -15.913 -28.720 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -17.804 -15.514 -27.498 1.00 0.00 N ATOM 0 H HIS A 95 -21.099 -19.218 -27.469 1.00 0.00 H new ATOM 0 HA HIS A 95 -18.889 -20.068 -29.240 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -18.605 -19.280 -26.285 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -17.302 -19.697 -27.379 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -18.441 -16.692 -25.762 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -17.201 -15.257 -29.520 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -17.784 -14.559 -27.141 1.00 0.00 H new