USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 435 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 45 HIS : no HE2:sc= 0.933 K(o=2.2,f=-2.4!) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 1.24 K(o=2.2,f=-3.2!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.0653 X(o=-0.066,f=-0.0094) USER MOD Set 2.2: A 30 HIS : no HD1:sc=-0.000967 X(o=-0.066,f=-0.086) USER MOD Set 3.1: A 20 HIS : no HE2:sc= 0.00246 K(o=0.0025,f=-2.8!) USER MOD Set 3.2: A 53 HIS : no HD1:sc= 0 X(o=0.0025,f=0.0025) USER MOD Set 4.1: A 5 THR OG1 : rot -44:sc= 0.986 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0.874 USER MOD Single : A 6 TYR OH : rot 68:sc= 0.768 USER MOD Single : A 8 ASN : amide:sc= -1.01! C(o=-1!,f=-2.7!) USER MOD Single : A 12 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.6!) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 1.14 (180deg=1.02) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.16) USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00471) USER MOD Single : A 43 SER OG : rot 174:sc= 1.08 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= 2.47 (180deg=1.22) USER MOD Single : A 51 THR OG1 : rot 174:sc= 1.13 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 0.64 (180deg=0.634) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 66:sc= 0.0775 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -9.336 -9.060 -0.785 1.00 10.00 N ATOM 14 CA ASP A 2 -8.200 -9.927 -0.485 1.00 10.00 C ATOM 15 C ASP A 2 -6.966 -9.612 -1.358 1.00 10.00 C ATOM 16 O ASP A 2 -6.865 -8.524 -1.911 1.00 10.00 O ATOM 17 CB ASP A 2 -8.685 -11.388 -0.479 1.00 10.00 C ATOM 18 CG ASP A 2 -9.918 -11.553 0.402 1.00 10.00 C ATOM 19 OD1 ASP A 2 -11.031 -11.290 -0.113 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.724 -11.871 1.593 1.00 10.00 O ATOM 0 HA ASP A 2 -7.816 -9.730 0.516 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.917 -11.702 -1.497 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.887 -12.038 -0.119 1.00 10.00 H new ATOM 25 N VAL A 3 -5.970 -10.499 -1.416 1.00 10.00 N ATOM 26 CA VAL A 3 -4.652 -10.176 -1.976 1.00 10.00 C ATOM 27 C VAL A 3 -4.710 -9.810 -3.473 1.00 10.00 C ATOM 28 O VAL A 3 -4.985 -10.671 -4.306 1.00 10.00 O ATOM 29 CB VAL A 3 -3.675 -11.338 -1.708 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.269 -11.003 -2.227 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.568 -11.652 -0.208 1.00 10.00 C ATOM 0 H VAL A 3 -6.052 -11.458 -1.078 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.286 -9.282 -1.472 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.073 -12.206 -2.234 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.598 -11.838 -2.026 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.311 -10.822 -3.301 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.898 -10.111 -1.723 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.871 -12.476 -0.058 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.208 -10.771 0.323 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.549 -11.932 0.176 1.00 10.00 H new ATOM 41 N VAL A 4 -4.418 -8.546 -3.821 1.00 10.00 N ATOM 42 CA VAL A 4 -4.425 -8.055 -5.207 1.00 10.00 C ATOM 43 C VAL A 4 -3.002 -7.756 -5.711 1.00 10.00 C ATOM 44 O VAL A 4 -2.377 -6.789 -5.280 1.00 10.00 O ATOM 45 CB VAL A 4 -5.309 -6.798 -5.346 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.514 -6.456 -6.829 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.682 -6.960 -4.690 1.00 10.00 C ATOM 0 H VAL A 4 -4.168 -7.829 -3.140 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.844 -8.849 -5.825 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.782 -5.995 -4.831 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.139 -5.567 -6.914 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.547 -6.266 -7.296 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.001 -7.292 -7.331 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.258 -6.044 -4.821 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.212 -7.791 -5.155 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.556 -7.161 -3.626 1.00 10.00 H new ATOM 57 N THR A 5 -2.492 -8.540 -6.665 1.00 10.00 N ATOM 58 CA THR A 5 -1.254 -8.206 -7.375 1.00 10.00 C ATOM 59 C THR A 5 -1.485 -7.120 -8.429 1.00 10.00 C ATOM 60 O THR A 5 -2.226 -7.318 -9.386 1.00 10.00 O ATOM 61 CB THR A 5 -0.585 -9.468 -7.947 1.00 10.00 C ATOM 62 OG1 THR A 5 0.147 -10.082 -6.909 1.00 10.00 O ATOM 63 CG2 THR A 5 0.431 -9.174 -9.049 1.00 10.00 C ATOM 0 H THR A 5 -2.921 -9.416 -6.965 1.00 10.00 H new ATOM 0 HA THR A 5 -0.553 -7.783 -6.655 1.00 10.00 H new ATOM 0 HB THR A 5 -1.384 -10.084 -8.359 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.647 -9.400 -6.413 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.862 -10.109 -9.405 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.066 -8.666 -9.875 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.222 -8.537 -8.654 1.00 10.00 H new ATOM 71 N TYR A 6 -0.818 -5.973 -8.255 1.00 10.00 N ATOM 72 CA TYR A 6 -0.760 -4.913 -9.253 1.00 10.00 C ATOM 73 C TYR A 6 0.418 -5.159 -10.194 1.00 10.00 C ATOM 74 O TYR A 6 1.569 -5.041 -9.770 1.00 10.00 O ATOM 75 CB TYR A 6 -0.636 -3.548 -8.571 1.00 10.00 C ATOM 76 CG TYR A 6 -1.976 -2.931 -8.219 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.839 -3.601 -7.332 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.351 -1.677 -8.734 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.002 -2.967 -6.862 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.517 -1.044 -8.263 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.335 -1.679 -7.315 1.00 10.00 C ATOM 82 OH TYR A 6 -5.239 -0.944 -6.613 1.00 10.00 O ATOM 0 H TYR A 6 -0.299 -5.758 -7.404 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.681 -4.916 -9.836 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.043 -3.656 -7.663 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.092 -2.869 -9.228 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.607 -4.606 -7.011 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.745 -1.200 -9.490 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.641 -3.470 -6.152 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.784 -0.065 -8.633 1.00 10.00 H new ATOM 0 HH TYR A 6 -4.858 -0.700 -5.744 1.00 10.00 H new ATOM 92 N GLU A 7 0.107 -5.533 -11.436 1.00 10.00 N ATOM 93 CA GLU A 7 1.048 -5.933 -12.471 1.00 10.00 C ATOM 94 C GLU A 7 1.597 -4.730 -13.252 1.00 10.00 C ATOM 95 O GLU A 7 0.849 -4.101 -13.998 1.00 10.00 O ATOM 96 CB GLU A 7 0.356 -6.949 -13.390 1.00 10.00 C ATOM 97 CG GLU A 7 -0.176 -8.142 -12.590 1.00 10.00 C ATOM 98 CD GLU A 7 -0.774 -9.257 -13.442 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.509 -9.261 -14.662 1.00 10.00 O ATOM 100 OE2 GLU A 7 -1.465 -10.104 -12.836 1.00 10.00 O ATOM 0 H GLU A 7 -0.860 -5.565 -11.759 1.00 10.00 H new ATOM 0 HA GLU A 7 1.917 -6.398 -12.006 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.466 -6.466 -13.918 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.059 -7.298 -14.146 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.637 -8.554 -11.992 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.935 -7.787 -11.893 1.00 10.00 H new ATOM 107 N ASN A 8 2.886 -4.389 -13.082 1.00 10.00 N ATOM 108 CA ASN A 8 3.447 -3.135 -13.578 1.00 10.00 C ATOM 109 C ASN A 8 4.807 -3.384 -14.236 1.00 10.00 C ATOM 110 O ASN A 8 5.584 -4.222 -13.775 1.00 10.00 O ATOM 111 CB ASN A 8 3.542 -2.099 -12.443 1.00 10.00 C ATOM 112 CG ASN A 8 2.655 -2.415 -11.249 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.437 -2.370 -11.332 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.235 -2.812 -10.128 1.00 10.00 N ATOM 0 H ASN A 8 3.562 -4.979 -12.597 1.00 10.00 H new ATOM 0 HA ASN A 8 2.782 -2.726 -14.338 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.577 -2.035 -12.108 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.272 -1.118 -12.835 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.665 -3.083 -9.327 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.252 -2.847 -10.065 1.00 10.00 H new ATOM 121 N ALA A 9 5.124 -2.617 -15.279 1.00 10.00 N ATOM 122 CA ALA A 9 6.414 -2.670 -15.960 1.00 10.00 C ATOM 123 C ALA A 9 7.560 -2.312 -15.002 1.00 10.00 C ATOM 124 O ALA A 9 8.694 -2.744 -15.194 1.00 10.00 O ATOM 125 CB ALA A 9 6.376 -1.718 -17.158 1.00 10.00 C ATOM 0 H ALA A 9 4.482 -1.933 -15.679 1.00 10.00 H new ATOM 0 HA ALA A 9 6.599 -3.685 -16.310 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.334 -1.747 -17.677 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.584 -2.024 -17.841 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.183 -0.703 -16.810 1.00 10.00 H new ATOM 131 N ALA A 10 7.250 -1.562 -13.942 1.00 10.00 N ATOM 132 CA ALA A 10 8.204 -1.202 -12.896 1.00 10.00 C ATOM 133 C ALA A 10 8.537 -2.373 -11.960 1.00 10.00 C ATOM 134 O ALA A 10 9.460 -2.261 -11.154 1.00 10.00 O ATOM 135 CB ALA A 10 7.641 -0.022 -12.102 1.00 10.00 C ATOM 0 H ALA A 10 6.316 -1.184 -13.786 1.00 10.00 H new ATOM 0 HA ALA A 10 9.142 -0.925 -13.377 1.00 10.00 H new ATOM 0 HB1 ALA A 10 8.344 0.257 -11.317 1.00 10.00 H new ATOM 0 HB2 ALA A 10 7.487 0.826 -12.770 1.00 10.00 H new ATOM 0 HB3 ALA A 10 6.690 -0.307 -11.652 1.00 10.00 H new ATOM 141 N GLY A 11 7.771 -3.468 -12.024 1.00 10.00 N ATOM 142 CA GLY A 11 7.828 -4.572 -11.074 1.00 10.00 C ATOM 143 C GLY A 11 6.490 -4.657 -10.346 1.00 10.00 C ATOM 144 O GLY A 11 5.952 -3.629 -9.917 1.00 10.00 O ATOM 0 H GLY A 11 7.078 -3.609 -12.759 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.036 -5.507 -11.593 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.637 -4.416 -10.361 1.00 10.00 H new ATOM 148 N ASN A 12 5.927 -5.857 -10.202 1.00 10.00 N ATOM 149 CA ASN A 12 4.657 -5.991 -9.496 1.00 10.00 C ATOM 150 C ASN A 12 4.869 -5.790 -7.997 1.00 10.00 C ATOM 151 O ASN A 12 6.004 -5.859 -7.522 1.00 10.00 O ATOM 152 CB ASN A 12 3.904 -7.283 -9.815 1.00 10.00 C ATOM 153 CG ASN A 12 3.917 -7.659 -11.294 1.00 10.00 C ATOM 154 OD1 ASN A 12 4.246 -6.860 -12.164 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.516 -8.881 -11.609 1.00 10.00 N ATOM 0 H ASN A 12 6.320 -6.729 -10.556 1.00 10.00 H new ATOM 0 HA ASN A 12 4.001 -5.202 -9.863 1.00 10.00 H new ATOM 0 HB2 ASN A 12 4.342 -8.098 -9.239 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.870 -7.180 -9.486 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.478 -9.169 -12.587 1.00 10.00 H new ATOM 0 HD22 ASN A 12 3.246 -9.534 -10.874 1.00 10.00 H new ATOM 162 N VAL A 13 3.784 -5.478 -7.281 1.00 10.00 N ATOM 163 CA VAL A 13 3.878 -4.915 -5.931 1.00 10.00 C ATOM 164 C VAL A 13 3.091 -5.647 -4.838 1.00 10.00 C ATOM 165 O VAL A 13 3.583 -5.762 -3.719 1.00 10.00 O ATOM 166 CB VAL A 13 3.629 -3.402 -5.980 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.293 -3.068 -6.636 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.645 -2.807 -4.572 1.00 10.00 C ATOM 0 H VAL A 13 2.829 -5.606 -7.615 1.00 10.00 H new ATOM 0 HA VAL A 13 4.902 -5.087 -5.599 1.00 10.00 H new ATOM 0 HB VAL A 13 4.432 -2.970 -6.577 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.155 -1.987 -6.651 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.284 -3.449 -7.657 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.484 -3.529 -6.069 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.467 -1.733 -4.629 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.864 -3.273 -3.971 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.616 -2.990 -4.111 1.00 10.00 H new ATOM 178 N THR A 14 1.885 -6.139 -5.136 1.00 10.00 N ATOM 179 CA THR A 14 1.075 -6.931 -4.214 1.00 10.00 C ATOM 180 C THR A 14 0.491 -6.103 -3.055 1.00 10.00 C ATOM 181 O THR A 14 1.180 -5.643 -2.150 1.00 10.00 O ATOM 182 CB THR A 14 1.789 -8.238 -3.835 1.00 10.00 C ATOM 183 OG1 THR A 14 1.723 -9.113 -4.946 1.00 10.00 O ATOM 184 CG2 THR A 14 1.143 -8.942 -2.646 1.00 10.00 C ATOM 0 H THR A 14 1.439 -5.994 -6.042 1.00 10.00 H new ATOM 0 HA THR A 14 0.173 -7.255 -4.733 1.00 10.00 H new ATOM 0 HB THR A 14 2.813 -7.987 -3.559 1.00 10.00 H new ATOM 0 HG1 THR A 14 2.174 -9.955 -4.727 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.690 -9.858 -2.425 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.168 -8.285 -1.777 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.108 -9.186 -2.886 1.00 10.00 H new ATOM 192 N PHE A 15 -0.819 -5.869 -3.145 1.00 10.00 N ATOM 193 CA PHE A 15 -1.648 -5.200 -2.149 1.00 10.00 C ATOM 194 C PHE A 15 -2.367 -6.261 -1.303 1.00 10.00 C ATOM 195 O PHE A 15 -3.385 -6.818 -1.731 1.00 10.00 O ATOM 196 CB PHE A 15 -2.700 -4.329 -2.853 1.00 10.00 C ATOM 197 CG PHE A 15 -2.260 -3.028 -3.499 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.097 -2.956 -4.293 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.197 -1.979 -3.559 1.00 10.00 C ATOM 200 CE1 PHE A 15 -0.904 -1.876 -5.169 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.997 -0.899 -4.432 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.868 -0.865 -5.261 1.00 10.00 C ATOM 0 H PHE A 15 -1.357 -6.159 -3.962 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.020 -4.574 -1.515 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.169 -4.938 -3.625 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.473 -4.090 -2.122 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.352 -3.735 -4.227 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.074 -2.006 -2.930 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.010 -1.825 -5.773 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.715 -0.092 -4.465 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.742 -0.060 -5.970 1.00 10.00 H new ATOM 212 N ASP A 16 -1.871 -6.540 -0.096 1.00 10.00 N ATOM 213 CA ASP A 16 -2.372 -7.636 0.713 1.00 10.00 C ATOM 214 C ASP A 16 -3.560 -7.136 1.529 1.00 10.00 C ATOM 215 O ASP A 16 -3.434 -6.864 2.725 1.00 10.00 O ATOM 216 CB ASP A 16 -1.236 -8.220 1.559 1.00 10.00 C ATOM 217 CG ASP A 16 0.074 -8.248 0.806 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.669 -7.150 0.723 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.405 -9.340 0.305 1.00 10.00 O ATOM 0 H ASP A 16 -1.115 -6.012 0.340 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.732 -8.457 0.093 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.120 -7.629 2.467 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.498 -9.232 1.869 1.00 10.00 H new ATOM 224 N HIS A 17 -4.695 -6.959 0.846 1.00 10.00 N ATOM 225 CA HIS A 17 -5.907 -6.338 1.374 1.00 10.00 C ATOM 226 C HIS A 17 -6.289 -7.007 2.698 1.00 10.00 C ATOM 227 O HIS A 17 -6.561 -6.345 3.698 1.00 10.00 O ATOM 228 CB HIS A 17 -7.013 -6.482 0.312 1.00 10.00 C ATOM 229 CG HIS A 17 -7.988 -5.346 0.164 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.656 -5.011 -0.992 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.230 -4.359 1.072 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.273 -3.835 -0.778 1.00 10.00 C ATOM 233 NE2 HIS A 17 -9.015 -3.373 0.460 1.00 10.00 N ATOM 0 H HIS A 17 -4.796 -7.256 -0.125 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.754 -5.279 1.581 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.533 -6.641 -0.654 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.581 -7.385 0.538 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.679 -5.556 -1.854 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -7.876 -4.340 2.092 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.893 -3.329 -1.503 1.00 10.00 H new ATOM 241 N LYS A 18 -6.229 -8.340 2.684 1.00 10.00 N ATOM 242 CA LYS A 18 -6.360 -9.184 3.859 1.00 10.00 C ATOM 243 C LYS A 18 -5.151 -9.075 4.801 1.00 10.00 C ATOM 244 O LYS A 18 -5.302 -8.582 5.911 1.00 10.00 O ATOM 245 CB LYS A 18 -6.627 -10.628 3.416 1.00 10.00 C ATOM 246 CG LYS A 18 -7.064 -11.483 4.616 1.00 10.00 C ATOM 247 CD LYS A 18 -7.583 -12.851 4.155 1.00 10.00 C ATOM 248 CE LYS A 18 -7.898 -13.782 5.337 1.00 10.00 C ATOM 249 NZ LYS A 18 -8.914 -13.207 6.244 1.00 10.00 N ATOM 0 H LYS A 18 -6.083 -8.872 1.826 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.210 -8.834 4.445 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.402 -10.643 2.649 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.727 -11.050 2.968 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.223 -11.619 5.296 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.843 -10.963 5.173 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -8.482 -12.713 3.554 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.839 -13.322 3.512 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.252 -14.741 4.958 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.983 -13.979 5.896 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -9.256 -13.944 6.893 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -8.491 -12.431 6.793 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -9.711 -12.841 5.685 1.00 10.00 H new ATOM 263 N ALA A 19 -3.962 -9.546 4.401 1.00 10.00 N ATOM 264 CA ALA A 19 -2.827 -9.727 5.314 1.00 10.00 C ATOM 265 C ALA A 19 -2.483 -8.463 6.105 1.00 10.00 C ATOM 266 O ALA A 19 -2.197 -8.540 7.300 1.00 10.00 O ATOM 267 CB ALA A 19 -1.594 -10.207 4.550 1.00 10.00 C ATOM 0 H ALA A 19 -3.761 -9.812 3.437 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.135 -10.484 6.035 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.763 -10.335 5.244 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.813 -11.159 4.066 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.325 -9.470 3.794 1.00 10.00 H new ATOM 273 N HIS A 20 -2.556 -7.299 5.448 1.00 10.00 N ATOM 274 CA HIS A 20 -2.505 -6.028 6.152 1.00 10.00 C ATOM 275 C HIS A 20 -3.601 -5.965 7.221 1.00 10.00 C ATOM 276 O HIS A 20 -3.308 -5.875 8.410 1.00 10.00 O ATOM 277 CB HIS A 20 -2.680 -4.866 5.172 1.00 10.00 C ATOM 278 CG HIS A 20 -1.481 -4.552 4.325 1.00 10.00 C ATOM 279 ND1 HIS A 20 -1.223 -5.068 3.082 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.504 -3.636 4.607 1.00 10.00 C ATOM 281 CE1 HIS A 20 -0.099 -4.484 2.632 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.379 -3.594 3.525 1.00 10.00 N ATOM 0 H HIS A 20 -2.650 -7.219 4.435 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.531 -5.945 6.633 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.520 -5.091 4.514 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.948 -3.973 5.737 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -1.781 -5.766 2.590 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.429 -3.048 5.509 1.00 10.00 H new ATOM 0 HE1 HIS A 20 0.361 -4.700 1.679 1.00 10.00 H new ATOM 290 N ALA A 21 -4.868 -6.015 6.793 1.00 10.00 N ATOM 291 CA ALA A 21 -6.034 -5.927 7.665 1.00 10.00 C ATOM 292 C ALA A 21 -5.978 -6.862 8.879 1.00 10.00 C ATOM 293 O ALA A 21 -6.334 -6.452 9.980 1.00 10.00 O ATOM 294 CB ALA A 21 -7.311 -6.158 6.861 1.00 10.00 C ATOM 0 H ALA A 21 -5.111 -6.120 5.808 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.033 -4.917 8.074 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.175 -6.090 7.522 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.391 -5.402 6.080 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.280 -7.148 6.405 1.00 10.00 H new ATOM 300 N GLU A 22 -5.512 -8.100 8.688 1.00 10.00 N ATOM 301 CA GLU A 22 -5.353 -9.070 9.767 1.00 10.00 C ATOM 302 C GLU A 22 -4.528 -8.505 10.949 1.00 10.00 C ATOM 303 O GLU A 22 -4.800 -8.833 12.101 1.00 10.00 O ATOM 304 CB GLU A 22 -4.709 -10.358 9.225 1.00 10.00 C ATOM 305 CG GLU A 22 -5.500 -11.090 8.121 1.00 10.00 C ATOM 306 CD GLU A 22 -6.823 -11.704 8.552 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.815 -12.498 9.511 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.813 -11.458 7.825 1.00 10.00 O ATOM 0 H GLU A 22 -5.234 -8.456 7.774 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.346 -9.297 10.154 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.721 -10.112 8.836 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.561 -11.046 10.057 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.694 -10.386 7.312 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.870 -11.880 7.712 1.00 10.00 H new ATOM 315 N LYS A 23 -3.516 -7.666 10.673 1.00 10.00 N ATOM 316 CA LYS A 23 -2.738 -6.952 11.690 1.00 10.00 C ATOM 317 C LYS A 23 -3.344 -5.574 12.014 1.00 10.00 C ATOM 318 O LYS A 23 -3.522 -5.211 13.173 1.00 10.00 O ATOM 319 CB LYS A 23 -1.300 -6.752 11.183 1.00 10.00 C ATOM 320 CG LYS A 23 -0.369 -7.951 11.397 1.00 10.00 C ATOM 321 CD LYS A 23 -0.500 -9.010 10.297 1.00 10.00 C ATOM 322 CE LYS A 23 0.525 -10.125 10.551 1.00 10.00 C ATOM 323 NZ LYS A 23 0.815 -10.877 9.315 1.00 10.00 N ATOM 0 H LYS A 23 -3.213 -7.464 9.720 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.750 -7.553 12.599 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.334 -6.522 10.118 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.871 -5.883 11.683 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.663 -7.601 11.437 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.588 -8.408 12.362 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -1.509 -9.421 10.289 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.332 -8.560 9.319 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.447 -9.693 10.941 1.00 10.00 H new ATOM 0 HE3 LYS A 23 0.144 -10.806 11.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 1.510 -11.623 9.518 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -0.061 -11.308 8.957 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 1.201 -10.230 8.598 1.00 10.00 H new ATOM 337 N LEU A 24 -3.568 -4.784 10.963 1.00 10.00 N ATOM 338 CA LEU A 24 -3.945 -3.376 10.965 1.00 10.00 C ATOM 339 C LEU A 24 -5.463 -3.222 11.129 1.00 10.00 C ATOM 340 O LEU A 24 -5.960 -3.075 12.242 1.00 10.00 O ATOM 341 CB LEU A 24 -3.390 -2.780 9.663 1.00 10.00 C ATOM 342 CG LEU A 24 -1.852 -2.733 9.640 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.365 -2.640 8.193 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.317 -1.532 10.429 1.00 10.00 C ATOM 0 H LEU A 24 -3.483 -5.145 10.013 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.524 -2.832 11.811 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.744 -3.370 8.818 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.782 -1.771 9.534 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.480 -3.645 10.107 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.276 -2.607 8.177 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -1.710 -3.512 7.636 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.762 -1.735 7.733 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.228 -1.529 10.393 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.698 -0.610 9.990 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.645 -1.603 11.466 1.00 10.00 H new ATOM 356 N GLY A 25 -6.201 -3.232 10.021 1.00 10.00 N ATOM 357 CA GLY A 25 -7.645 -3.212 9.979 1.00 10.00 C ATOM 358 C GLY A 25 -8.059 -2.662 8.619 1.00 10.00 C ATOM 359 O GLY A 25 -7.338 -2.798 7.630 1.00 10.00 O ATOM 0 H GLY A 25 -5.781 -3.255 9.092 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.046 -4.215 10.125 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.043 -2.590 10.781 1.00 10.00 H new ATOM 363 N CYS A 26 -9.194 -1.979 8.602 1.00 10.00 N ATOM 364 CA CYS A 26 -9.692 -1.229 7.450 1.00 10.00 C ATOM 365 C CYS A 26 -9.428 0.254 7.688 1.00 10.00 C ATOM 366 O CYS A 26 -8.828 0.923 6.850 1.00 10.00 O ATOM 367 CB CYS A 26 -11.156 -1.509 7.213 1.00 10.00 C ATOM 368 SG CYS A 26 -11.574 -3.279 7.343 1.00 10.00 S ATOM 0 H CYS A 26 -9.814 -1.927 9.410 1.00 10.00 H new ATOM 0 HA CYS A 26 -9.168 -1.543 6.547 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.749 -0.948 7.935 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.434 -1.148 6.223 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.846 -3.441 7.130 1.00 10.00 H new ATOM 373 N ASP A 27 -9.804 0.726 8.877 1.00 10.00 N ATOM 374 CA ASP A 27 -9.514 2.019 9.486 1.00 10.00 C ATOM 375 C ASP A 27 -8.090 2.478 9.137 1.00 10.00 C ATOM 376 O ASP A 27 -7.856 3.565 8.614 1.00 10.00 O ATOM 377 CB ASP A 27 -9.689 1.865 11.012 1.00 10.00 C ATOM 378 CG ASP A 27 -10.925 1.068 11.409 1.00 10.00 C ATOM 379 OD1 ASP A 27 -10.919 -0.146 11.087 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.835 1.676 12.007 1.00 10.00 O ATOM 0 H ASP A 27 -10.376 0.153 9.497 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.195 2.780 9.105 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.805 1.377 11.423 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.745 2.855 11.464 1.00 10.00 H new ATOM 385 N ALA A 28 -7.146 1.567 9.386 1.00 10.00 N ATOM 386 CA ALA A 28 -5.728 1.651 9.064 1.00 10.00 C ATOM 387 C ALA A 28 -5.406 2.196 7.655 1.00 10.00 C ATOM 388 O ALA A 28 -4.371 2.837 7.482 1.00 10.00 O ATOM 389 CB ALA A 28 -5.143 0.250 9.256 1.00 10.00 C ATOM 0 H ALA A 28 -7.374 0.689 9.852 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.276 2.384 9.732 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -4.078 0.266 9.025 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.285 -0.065 10.290 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.648 -0.450 8.590 1.00 10.00 H new ATOM 395 N CYS A 29 -6.255 1.930 6.653 1.00 10.00 N ATOM 396 CA CYS A 29 -6.091 2.404 5.276 1.00 10.00 C ATOM 397 C CYS A 29 -7.248 3.303 4.808 1.00 10.00 C ATOM 398 O CYS A 29 -7.126 3.978 3.788 1.00 10.00 O ATOM 399 CB CYS A 29 -5.997 1.216 4.356 1.00 10.00 C ATOM 400 SG CYS A 29 -4.383 0.362 4.446 1.00 10.00 S ATOM 0 H CYS A 29 -7.095 1.365 6.783 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.181 3.003 5.248 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.789 0.509 4.604 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.171 1.544 3.331 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.381 -0.649 3.629 1.00 10.00 H new ATOM 405 N HIS A 30 -8.389 3.279 5.498 1.00 10.00 N ATOM 406 CA HIS A 30 -9.648 3.824 5.034 1.00 10.00 C ATOM 407 C HIS A 30 -10.308 4.683 6.120 1.00 10.00 C ATOM 408 O HIS A 30 -10.645 4.177 7.188 1.00 10.00 O ATOM 409 CB HIS A 30 -10.538 2.627 4.686 1.00 10.00 C ATOM 410 CG HIS A 30 -10.164 1.870 3.448 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.249 2.341 2.165 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.923 0.532 3.371 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.026 1.305 1.332 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.828 0.169 2.017 1.00 10.00 N ATOM 0 H HIS A 30 -8.455 2.863 6.427 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.495 4.469 4.169 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.528 1.935 5.528 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.563 2.981 4.576 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.822 -0.139 4.211 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.009 1.380 0.255 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.647 -0.760 1.636 1.00 10.00 H new ATOM 422 N GLU A 31 -10.558 5.964 5.830 1.00 10.00 N ATOM 423 CA GLU A 31 -11.156 6.894 6.779 1.00 10.00 C ATOM 424 C GLU A 31 -12.630 6.562 7.089 1.00 10.00 C ATOM 425 O GLU A 31 -13.556 7.200 6.588 1.00 10.00 O ATOM 426 CB GLU A 31 -10.971 8.326 6.259 1.00 10.00 C ATOM 427 CG GLU A 31 -9.483 8.707 6.166 1.00 10.00 C ATOM 428 CD GLU A 31 -9.290 10.139 5.683 1.00 10.00 C ATOM 429 OE1 GLU A 31 -9.333 11.038 6.549 1.00 10.00 O ATOM 430 OE2 GLU A 31 -9.112 10.299 4.457 1.00 10.00 O ATOM 0 H GLU A 31 -10.348 6.382 4.924 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.641 6.798 7.735 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.433 8.419 5.276 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.485 9.023 6.921 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.016 8.588 7.144 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.975 8.023 5.486 1.00 10.00 H new ATOM 437 N GLY A 32 -12.856 5.539 7.920 1.00 10.00 N ATOM 438 CA GLY A 32 -14.178 5.101 8.357 1.00 10.00 C ATOM 439 C GLY A 32 -14.934 4.348 7.258 1.00 10.00 C ATOM 440 O GLY A 32 -15.196 3.154 7.381 1.00 10.00 O ATOM 0 H GLY A 32 -12.100 4.980 8.316 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.075 4.457 9.230 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.761 5.968 8.667 1.00 10.00 H new ATOM 444 N THR A 33 -15.286 5.042 6.174 1.00 10.00 N ATOM 445 CA THR A 33 -15.986 4.456 5.031 1.00 10.00 C ATOM 446 C THR A 33 -14.979 3.832 4.051 1.00 10.00 C ATOM 447 O THR A 33 -14.199 4.566 3.444 1.00 10.00 O ATOM 448 CB THR A 33 -16.832 5.529 4.326 1.00 10.00 C ATOM 449 OG1 THR A 33 -17.703 6.140 5.254 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.694 4.924 3.215 1.00 10.00 C ATOM 0 H THR A 33 -15.091 6.037 6.065 1.00 10.00 H new ATOM 0 HA THR A 33 -16.649 3.668 5.389 1.00 10.00 H new ATOM 0 HB THR A 33 -16.140 6.254 3.898 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.238 6.824 4.799 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.278 5.711 2.739 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.051 4.450 2.473 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.367 4.180 3.641 1.00 10.00 H new ATOM 458 N PRO A 34 -14.964 2.502 3.859 1.00 10.00 N ATOM 459 CA PRO A 34 -14.083 1.879 2.885 1.00 10.00 C ATOM 460 C PRO A 34 -14.581 2.156 1.462 1.00 10.00 C ATOM 461 O PRO A 34 -15.785 2.169 1.210 1.00 10.00 O ATOM 462 CB PRO A 34 -14.110 0.391 3.221 1.00 10.00 C ATOM 463 CG PRO A 34 -15.522 0.188 3.767 1.00 10.00 C ATOM 464 CD PRO A 34 -15.801 1.498 4.502 1.00 10.00 C ATOM 0 HA PRO A 34 -13.067 2.271 2.926 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.925 -0.225 2.341 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.351 0.130 3.958 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -16.242 0.013 2.968 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.575 -0.670 4.437 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.855 1.767 4.435 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.561 1.410 5.562 1.00 10.00 H new ATOM 472 N ALA A 35 -13.654 2.390 0.530 1.00 10.00 N ATOM 473 CA ALA A 35 -13.969 2.761 -0.846 1.00 10.00 C ATOM 474 C ALA A 35 -12.742 2.582 -1.745 1.00 10.00 C ATOM 475 O ALA A 35 -11.626 2.386 -1.259 1.00 10.00 O ATOM 476 CB ALA A 35 -14.464 4.212 -0.882 1.00 10.00 C ATOM 0 H ALA A 35 -12.653 2.326 0.715 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.757 2.109 -1.223 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.700 4.491 -1.909 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.358 4.307 -0.266 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.686 4.871 -0.497 1.00 10.00 H new ATOM 482 N LYS A 36 -12.941 2.652 -3.063 1.00 10.00 N ATOM 483 CA LYS A 36 -11.850 2.489 -4.019 1.00 10.00 C ATOM 484 C LYS A 36 -10.946 3.725 -4.120 1.00 10.00 C ATOM 485 O LYS A 36 -11.132 4.597 -4.968 1.00 10.00 O ATOM 486 CB LYS A 36 -12.345 2.008 -5.382 1.00 10.00 C ATOM 487 CG LYS A 36 -13.517 2.818 -5.958 1.00 10.00 C ATOM 488 CD LYS A 36 -13.714 2.511 -7.448 1.00 10.00 C ATOM 489 CE LYS A 36 -12.667 3.244 -8.301 1.00 10.00 C ATOM 490 NZ LYS A 36 -12.819 2.920 -9.735 1.00 10.00 N ATOM 0 H LYS A 36 -13.851 2.821 -3.491 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.216 1.697 -3.621 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.515 2.042 -6.088 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.649 0.965 -5.296 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.430 2.584 -5.410 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.329 3.883 -5.824 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -13.638 1.437 -7.615 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -14.715 2.812 -7.756 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -12.766 4.320 -8.157 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -11.666 2.969 -7.968 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.098 3.430 -10.284 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -12.700 1.896 -9.874 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -13.766 3.206 -10.057 1.00 10.00 H new ATOM 504 N ILE A 37 -9.936 3.774 -3.252 1.00 10.00 N ATOM 505 CA ILE A 37 -8.866 4.770 -3.293 1.00 10.00 C ATOM 506 C ILE A 37 -8.116 4.675 -4.633 1.00 10.00 C ATOM 507 O ILE A 37 -7.661 3.597 -5.008 1.00 10.00 O ATOM 508 CB ILE A 37 -7.898 4.555 -2.111 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.630 4.661 -0.758 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.755 5.583 -2.170 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.779 4.161 0.414 1.00 10.00 C ATOM 0 H ILE A 37 -9.837 3.109 -2.485 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.299 5.767 -3.206 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.486 3.549 -2.195 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.910 5.699 -0.581 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.554 4.085 -0.803 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.078 5.422 -1.331 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.208 5.466 -3.106 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.168 6.590 -2.115 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.344 4.259 1.341 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.520 3.114 0.255 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.867 4.754 0.480 1.00 10.00 H new ATOM 523 N ALA A 38 -7.952 5.791 -5.351 1.00 10.00 N ATOM 524 CA ALA A 38 -7.189 5.790 -6.596 1.00 10.00 C ATOM 525 C ALA A 38 -5.678 5.716 -6.353 1.00 10.00 C ATOM 526 O ALA A 38 -5.031 6.692 -5.965 1.00 10.00 O ATOM 527 CB ALA A 38 -7.544 6.993 -7.458 1.00 10.00 C ATOM 0 H ALA A 38 -8.336 6.699 -5.091 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.469 4.886 -7.137 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.961 6.966 -8.378 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.606 6.966 -7.701 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.320 7.910 -6.913 1.00 10.00 H new ATOM 533 N ILE A 39 -5.130 4.532 -6.608 1.00 10.00 N ATOM 534 CA ILE A 39 -3.710 4.232 -6.527 1.00 10.00 C ATOM 535 C ILE A 39 -3.069 4.261 -7.916 1.00 10.00 C ATOM 536 O ILE A 39 -3.698 3.896 -8.906 1.00 10.00 O ATOM 537 CB ILE A 39 -3.505 2.894 -5.808 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.195 2.895 -4.433 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.008 2.592 -5.675 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.639 3.913 -3.433 1.00 10.00 C ATOM 0 H ILE A 39 -5.688 3.725 -6.888 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.207 5.000 -5.940 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.965 2.106 -6.404 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.258 3.091 -4.576 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.110 1.898 -4.000 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.873 1.639 -5.163 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.558 2.538 -6.666 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.527 3.384 -5.101 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.188 3.838 -2.494 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.584 3.707 -3.253 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.749 4.919 -3.839 1.00 10.00 H new ATOM 552 N ASP A 40 -1.830 4.751 -7.963 1.00 10.00 N ATOM 553 CA ASP A 40 -1.140 5.139 -9.177 1.00 10.00 C ATOM 554 C ASP A 40 0.317 5.504 -8.842 1.00 10.00 C ATOM 555 O ASP A 40 0.702 5.609 -7.670 1.00 10.00 O ATOM 556 CB ASP A 40 -1.935 6.313 -9.799 1.00 10.00 C ATOM 557 CG ASP A 40 -1.104 7.254 -10.645 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.647 6.813 -11.719 1.00 10.00 O ATOM 559 OD2 ASP A 40 -0.774 8.326 -10.096 1.00 10.00 O ATOM 0 H ASP A 40 -1.267 4.890 -7.124 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.092 4.329 -9.905 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.739 5.906 -10.413 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.404 6.883 -8.997 1.00 10.00 H new ATOM 564 N LYS A 41 1.085 5.768 -9.899 1.00 10.00 N ATOM 565 CA LYS A 41 2.420 6.343 -9.908 1.00 10.00 C ATOM 566 C LYS A 41 2.559 7.691 -9.160 1.00 10.00 C ATOM 567 O LYS A 41 3.684 8.192 -9.044 1.00 10.00 O ATOM 568 CB LYS A 41 2.841 6.505 -11.375 1.00 10.00 C ATOM 569 CG LYS A 41 4.368 6.560 -11.565 1.00 10.00 C ATOM 570 CD LYS A 41 4.830 7.637 -12.561 1.00 10.00 C ATOM 571 CE LYS A 41 5.876 8.561 -11.925 1.00 10.00 C ATOM 572 NZ LYS A 41 5.274 9.414 -10.877 1.00 10.00 N ATOM 0 H LYS A 41 0.759 5.567 -10.844 1.00 10.00 H new ATOM 0 HA LYS A 41 3.071 5.661 -9.360 1.00 10.00 H new ATOM 0 HB2 LYS A 41 2.439 5.675 -11.956 1.00 10.00 H new ATOM 0 HB3 LYS A 41 2.398 7.417 -11.775 1.00 10.00 H new ATOM 0 HG2 LYS A 41 4.839 6.745 -10.599 1.00 10.00 H new ATOM 0 HG3 LYS A 41 4.718 5.586 -11.909 1.00 10.00 H new ATOM 0 HD2 LYS A 41 5.250 7.162 -13.447 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.973 8.224 -12.891 1.00 10.00 H new ATOM 0 HE2 LYS A 41 6.678 7.963 -11.493 1.00 10.00 H new ATOM 0 HE3 LYS A 41 6.325 9.189 -12.694 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 6.020 9.966 -10.408 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.585 10.061 -11.310 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 4.794 8.815 -10.175 1.00 10.00 H new ATOM 586 N LYS A 42 1.474 8.305 -8.674 1.00 10.00 N ATOM 587 CA LYS A 42 1.480 9.455 -7.788 1.00 10.00 C ATOM 588 C LYS A 42 1.178 8.997 -6.356 1.00 10.00 C ATOM 589 O LYS A 42 2.075 9.013 -5.515 1.00 10.00 O ATOM 590 CB LYS A 42 0.484 10.491 -8.330 1.00 10.00 C ATOM 591 CG LYS A 42 0.633 11.858 -7.656 1.00 10.00 C ATOM 592 CD LYS A 42 -0.281 12.857 -8.382 1.00 10.00 C ATOM 593 CE LYS A 42 -0.129 14.294 -7.867 1.00 10.00 C ATOM 594 NZ LYS A 42 1.175 14.883 -8.243 1.00 10.00 N ATOM 0 H LYS A 42 0.530 7.993 -8.903 1.00 10.00 H new ATOM 0 HA LYS A 42 2.458 9.934 -7.754 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.629 10.602 -9.405 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.532 10.125 -8.182 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.363 11.793 -6.602 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.670 12.191 -7.699 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.059 12.834 -9.449 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.318 12.543 -8.265 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.934 14.910 -8.268 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -0.231 14.303 -6.782 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 1.223 15.865 -7.905 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 1.943 14.330 -7.811 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 1.277 14.868 -9.278 1.00 10.00 H new ATOM 608 N SER A 43 -0.054 8.562 -6.067 1.00 10.00 N ATOM 609 CA SER A 43 -0.525 8.221 -4.723 1.00 10.00 C ATOM 610 C SER A 43 0.442 7.308 -3.973 1.00 10.00 C ATOM 611 O SER A 43 0.823 7.595 -2.833 1.00 10.00 O ATOM 612 CB SER A 43 -1.914 7.575 -4.824 1.00 10.00 C ATOM 613 OG SER A 43 -2.721 8.280 -5.752 1.00 10.00 O ATOM 0 H SER A 43 -0.769 8.435 -6.783 1.00 10.00 H new ATOM 0 HA SER A 43 -0.584 9.143 -4.145 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.816 6.535 -5.134 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.393 7.572 -3.845 1.00 10.00 H new ATOM 0 HG SER A 43 -3.566 7.801 -5.880 1.00 10.00 H new ATOM 619 N ALA A 44 0.872 6.234 -4.645 1.00 10.00 N ATOM 620 CA ALA A 44 1.787 5.253 -4.073 1.00 10.00 C ATOM 621 C ALA A 44 3.075 5.899 -3.541 1.00 10.00 C ATOM 622 O ALA A 44 3.611 5.486 -2.512 1.00 10.00 O ATOM 623 CB ALA A 44 2.112 4.202 -5.133 1.00 10.00 C ATOM 0 H ALA A 44 0.592 6.025 -5.603 1.00 10.00 H new ATOM 0 HA ALA A 44 1.298 4.785 -3.219 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.796 3.463 -4.715 1.00 10.00 H new ATOM 0 HB2 ALA A 44 1.193 3.708 -5.449 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.579 4.684 -5.992 1.00 10.00 H new ATOM 629 N HIS A 45 3.556 6.926 -4.250 1.00 10.00 N ATOM 630 CA HIS A 45 4.818 7.608 -3.986 1.00 10.00 C ATOM 631 C HIS A 45 4.628 8.983 -3.328 1.00 10.00 C ATOM 632 O HIS A 45 5.613 9.622 -2.941 1.00 10.00 O ATOM 633 CB HIS A 45 5.588 7.753 -5.294 1.00 10.00 C ATOM 634 CG HIS A 45 5.546 6.528 -6.163 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.194 6.546 -7.480 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.863 5.235 -5.832 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.344 5.305 -7.949 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.748 4.454 -6.994 1.00 10.00 N ATOM 0 H HIS A 45 3.057 7.315 -5.050 1.00 10.00 H new ATOM 0 HA HIS A 45 5.380 7.001 -3.277 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.182 8.597 -5.852 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.627 7.991 -5.068 1.00 10.00 H new ATOM 0 HD1 HIS A 45 4.875 7.358 -8.009 1.00 10.00 H new ATOM 0 HD2 HIS A 45 6.150 4.881 -4.853 1.00 10.00 H new ATOM 0 HE1 HIS A 45 5.162 5.020 -8.975 1.00 10.00 H new ATOM 646 N LYS A 46 3.380 9.411 -3.112 1.00 10.00 N ATOM 647 CA LYS A 46 3.087 10.626 -2.360 1.00 10.00 C ATOM 648 C LYS A 46 3.169 10.285 -0.881 1.00 10.00 C ATOM 649 O LYS A 46 4.014 10.822 -0.167 1.00 10.00 O ATOM 650 CB LYS A 46 1.700 11.202 -2.688 1.00 10.00 C ATOM 651 CG LYS A 46 1.605 12.627 -2.106 1.00 10.00 C ATOM 652 CD LYS A 46 0.194 12.975 -1.613 1.00 10.00 C ATOM 653 CE LYS A 46 0.209 14.368 -0.958 1.00 10.00 C ATOM 654 NZ LYS A 46 -1.084 14.697 -0.319 1.00 10.00 N ATOM 0 H LYS A 46 2.551 8.925 -3.453 1.00 10.00 H new ATOM 0 HA LYS A 46 3.813 11.392 -2.634 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.545 11.224 -3.767 1.00 10.00 H new ATOM 0 HB3 LYS A 46 0.919 10.569 -2.267 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.308 12.724 -1.279 1.00 10.00 H new ATOM 0 HG3 LYS A 46 1.907 13.346 -2.867 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -0.508 12.961 -2.447 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -0.147 12.228 -0.896 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.002 14.408 -0.212 1.00 10.00 H new ATOM 0 HE3 LYS A 46 0.442 15.120 -1.712 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -1.029 15.643 0.109 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -1.838 14.684 -1.035 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -1.295 13.995 0.419 1.00 10.00 H new ATOM 668 N ASP A 47 2.322 9.337 -0.472 1.00 10.00 N ATOM 669 CA ASP A 47 2.199 8.939 0.920 1.00 10.00 C ATOM 670 C ASP A 47 1.654 7.508 1.099 1.00 10.00 C ATOM 671 O ASP A 47 2.239 6.723 1.850 1.00 10.00 O ATOM 672 CB ASP A 47 1.348 9.993 1.639 1.00 10.00 C ATOM 673 CG ASP A 47 1.676 9.999 3.117 1.00 10.00 C ATOM 674 OD1 ASP A 47 2.746 10.562 3.439 1.00 10.00 O ATOM 675 OD2 ASP A 47 0.901 9.390 3.876 1.00 10.00 O ATOM 0 H ASP A 47 1.704 8.827 -1.103 1.00 10.00 H new ATOM 0 HA ASP A 47 3.191 8.899 1.369 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.536 10.978 1.212 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.289 9.779 1.493 1.00 10.00 H new ATOM 680 N ALA A 48 0.563 7.179 0.383 1.00 10.00 N ATOM 681 CA ALA A 48 -0.332 6.045 0.650 1.00 10.00 C ATOM 682 C ALA A 48 0.336 4.798 1.257 1.00 10.00 C ATOM 683 O ALA A 48 0.039 4.410 2.385 1.00 10.00 O ATOM 684 CB ALA A 48 -1.088 5.702 -0.639 1.00 10.00 C ATOM 0 H ALA A 48 0.272 7.721 -0.431 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.017 6.371 1.432 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.757 4.861 -0.456 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.670 6.566 -0.960 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.375 5.435 -1.419 1.00 10.00 H new ATOM 690 N CYS A 49 1.233 4.160 0.502 1.00 10.00 N ATOM 691 CA CYS A 49 1.974 2.984 0.955 1.00 10.00 C ATOM 692 C CYS A 49 3.232 3.391 1.739 1.00 10.00 C ATOM 693 O CYS A 49 3.495 2.947 2.860 1.00 10.00 O ATOM 694 CB CYS A 49 2.339 2.128 -0.241 1.00 10.00 C ATOM 695 SG CYS A 49 1.009 1.844 -1.458 1.00 10.00 S ATOM 0 H CYS A 49 1.466 4.448 -0.448 1.00 10.00 H new ATOM 0 HA CYS A 49 1.342 2.407 1.629 1.00 10.00 H new ATOM 0 HB2 CYS A 49 3.180 2.595 -0.754 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.685 1.160 0.122 1.00 10.00 H new ATOM 0 HG CYS A 49 1.458 1.101 -2.426 1.00 10.00 H new ATOM 700 N LYS A 50 4.035 4.246 1.106 1.00 10.00 N ATOM 701 CA LYS A 50 5.401 4.573 1.499 1.00 10.00 C ATOM 702 C LYS A 50 5.576 5.153 2.907 1.00 10.00 C ATOM 703 O LYS A 50 6.672 5.046 3.461 1.00 10.00 O ATOM 704 CB LYS A 50 5.977 5.550 0.476 1.00 10.00 C ATOM 705 CG LYS A 50 5.109 6.803 0.367 1.00 10.00 C ATOM 706 CD LYS A 50 5.754 7.851 -0.526 1.00 10.00 C ATOM 707 CE LYS A 50 6.640 8.863 0.203 1.00 10.00 C ATOM 708 NZ LYS A 50 6.582 10.169 -0.492 1.00 10.00 N ATOM 0 H LYS A 50 3.737 4.750 0.271 1.00 10.00 H new ATOM 0 HA LYS A 50 5.934 3.623 1.524 1.00 10.00 H new ATOM 0 HB2 LYS A 50 6.990 5.829 0.765 1.00 10.00 H new ATOM 0 HB3 LYS A 50 6.045 5.065 -0.498 1.00 10.00 H new ATOM 0 HG2 LYS A 50 4.131 6.536 -0.032 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.945 7.221 1.360 1.00 10.00 H new ATOM 0 HD2 LYS A 50 6.353 7.344 -1.282 1.00 10.00 H new ATOM 0 HD3 LYS A 50 4.968 8.392 -1.053 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.308 8.974 1.235 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.668 8.503 0.236 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 7.434 10.721 -0.265 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 6.534 10.014 -1.519 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 5.738 10.691 -0.181 1.00 10.00 H new ATOM 722 N THR A 51 4.572 5.853 3.437 1.00 10.00 N ATOM 723 CA THR A 51 4.680 6.571 4.713 1.00 10.00 C ATOM 724 C THR A 51 4.231 5.714 5.900 1.00 10.00 C ATOM 725 O THR A 51 4.828 5.779 6.977 1.00 10.00 O ATOM 726 CB THR A 51 3.948 7.914 4.626 1.00 10.00 C ATOM 727 OG1 THR A 51 4.568 8.681 3.613 1.00 10.00 O ATOM 728 CG2 THR A 51 4.051 8.714 5.928 1.00 10.00 C ATOM 0 H THR A 51 3.657 5.940 2.994 1.00 10.00 H new ATOM 0 HA THR A 51 5.732 6.785 4.901 1.00 10.00 H new ATOM 0 HB THR A 51 2.896 7.713 4.422 1.00 10.00 H new ATOM 0 HG1 THR A 51 4.060 9.507 3.471 1.00 10.00 H new ATOM 0 HG21 THR A 51 3.517 9.658 5.818 1.00 10.00 H new ATOM 0 HG22 THR A 51 3.610 8.140 6.743 1.00 10.00 H new ATOM 0 HG23 THR A 51 5.099 8.914 6.150 1.00 10.00 H new ATOM 736 N CYS A 52 3.235 4.839 5.714 1.00 10.00 N ATOM 737 CA CYS A 52 2.981 3.793 6.707 1.00 10.00 C ATOM 738 C CYS A 52 4.208 2.882 6.823 1.00 10.00 C ATOM 739 O CYS A 52 4.717 2.662 7.924 1.00 10.00 O ATOM 740 CB CYS A 52 1.737 3.018 6.387 1.00 10.00 C ATOM 741 SG CYS A 52 1.437 1.862 7.759 1.00 10.00 S ATOM 0 H CYS A 52 2.609 4.833 4.909 1.00 10.00 H new ATOM 0 HA CYS A 52 2.809 4.264 7.675 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.889 3.691 6.262 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.855 2.476 5.449 1.00 10.00 H new ATOM 0 HG CYS A 52 0.362 1.172 7.518 1.00 10.00 H new ATOM 746 N HIS A 53 4.766 2.472 5.673 1.00 10.00 N ATOM 747 CA HIS A 53 6.035 1.746 5.551 1.00 10.00 C ATOM 748 C HIS A 53 7.289 2.565 5.996 1.00 10.00 C ATOM 749 O HIS A 53 8.346 2.474 5.374 1.00 10.00 O ATOM 750 CB HIS A 53 6.156 1.289 4.083 1.00 10.00 C ATOM 751 CG HIS A 53 5.305 0.139 3.621 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.609 -0.635 2.533 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.113 -0.310 4.117 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.623 -1.536 2.382 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.675 -1.387 3.318 1.00 10.00 N ATOM 0 H HIS A 53 4.327 2.645 4.769 1.00 10.00 H new ATOM 0 HA HIS A 53 6.016 0.898 6.236 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.929 2.146 3.449 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.198 1.025 3.902 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.594 0.092 4.975 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.598 -2.285 1.605 1.00 10.00 H new ATOM 0 HE2 HIS A 53 2.821 -1.934 3.429 1.00 10.00 H new ATOM 763 N LYS A 54 7.183 3.348 7.075 1.00 10.00 N ATOM 764 CA LYS A 54 8.135 4.252 7.701 1.00 10.00 C ATOM 765 C LYS A 54 7.656 4.579 9.122 1.00 10.00 C ATOM 766 O LYS A 54 8.429 4.482 10.069 1.00 10.00 O ATOM 767 CB LYS A 54 8.225 5.528 6.907 1.00 10.00 C ATOM 768 CG LYS A 54 9.128 5.324 5.704 1.00 10.00 C ATOM 769 CD LYS A 54 9.678 6.688 5.336 1.00 10.00 C ATOM 770 CE LYS A 54 10.031 6.720 3.852 1.00 10.00 C ATOM 771 NZ LYS A 54 8.805 6.658 3.024 1.00 10.00 N ATOM 0 H LYS A 54 6.305 3.358 7.594 1.00 10.00 H new ATOM 0 HA LYS A 54 9.116 3.777 7.736 1.00 10.00 H new ATOM 0 HB2 LYS A 54 7.231 5.834 6.579 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.615 6.330 7.534 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.936 4.632 5.940 1.00 10.00 H new ATOM 0 HG3 LYS A 54 8.572 4.893 4.871 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.942 7.460 5.561 1.00 10.00 H new ATOM 0 HD3 LYS A 54 10.562 6.907 5.934 1.00 10.00 H new ATOM 0 HE2 LYS A 54 10.585 7.631 3.624 1.00 10.00 H new ATOM 0 HE3 LYS A 54 10.683 5.881 3.609 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 9.066 6.647 2.017 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 8.274 5.794 3.254 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 8.212 7.490 3.218 1.00 10.00 H new ATOM 859 N LYS A 61 13.021 1.906 -0.487 1.00 10.00 N ATOM 860 CA LYS A 61 13.565 1.731 -1.834 1.00 10.00 C ATOM 861 C LYS A 61 12.481 1.302 -2.839 1.00 10.00 C ATOM 862 O LYS A 61 11.562 0.567 -2.482 1.00 10.00 O ATOM 863 CB LYS A 61 14.654 0.649 -1.729 1.00 10.00 C ATOM 864 CG LYS A 61 15.558 0.496 -2.961 1.00 10.00 C ATOM 865 CD LYS A 61 16.501 -0.715 -2.803 1.00 10.00 C ATOM 866 CE LYS A 61 15.786 -2.040 -3.126 1.00 10.00 C ATOM 867 NZ LYS A 61 16.650 -3.221 -2.908 1.00 10.00 N ATOM 0 HA LYS A 61 13.968 2.675 -2.202 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.281 0.873 -0.866 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.172 -0.309 -1.533 1.00 10.00 H new ATOM 0 HG2 LYS A 61 14.945 0.371 -3.854 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.145 1.404 -3.102 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.361 -0.595 -3.462 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.884 -0.747 -1.783 1.00 10.00 H new ATOM 0 HE2 LYS A 61 14.894 -2.128 -2.506 1.00 10.00 H new ATOM 0 HE3 LYS A 61 15.453 -2.025 -4.164 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 16.121 -4.086 -3.140 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 17.489 -3.155 -3.518 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 16.948 -3.254 -1.912 1.00 10.00 H new ATOM 881 N CYS A 62 12.612 1.689 -4.114 1.00 10.00 N ATOM 882 CA CYS A 62 11.703 1.265 -5.192 1.00 10.00 C ATOM 883 C CYS A 62 11.489 -0.257 -5.181 1.00 10.00 C ATOM 884 O CYS A 62 10.368 -0.758 -5.052 1.00 10.00 O ATOM 885 CB CYS A 62 12.227 1.708 -6.543 1.00 10.00 C ATOM 886 SG CYS A 62 12.817 3.434 -6.610 1.00 10.00 S ATOM 0 H CYS A 62 13.357 2.310 -4.431 1.00 10.00 H new ATOM 0 HA CYS A 62 10.740 1.744 -5.014 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.045 1.048 -6.833 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.437 1.581 -7.283 1.00 10.00 H new ATOM 0 HG CYS A 62 13.868 3.563 -5.856 1.00 10.00 H new ATOM 891 N GLY A 63 12.607 -0.991 -5.239 1.00 10.00 N ATOM 892 CA GLY A 63 12.643 -2.448 -5.162 1.00 10.00 C ATOM 893 C GLY A 63 12.194 -3.021 -3.807 1.00 10.00 C ATOM 894 O GLY A 63 12.116 -4.232 -3.637 1.00 10.00 O ATOM 0 H GLY A 63 13.532 -0.573 -5.343 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.006 -2.858 -5.946 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.659 -2.786 -5.368 1.00 10.00 H new ATOM 898 N GLY A 64 11.922 -2.159 -2.822 1.00 10.00 N ATOM 899 CA GLY A 64 11.283 -2.528 -1.568 1.00 10.00 C ATOM 900 C GLY A 64 9.790 -2.824 -1.741 1.00 10.00 C ATOM 901 O GLY A 64 9.210 -3.520 -0.912 1.00 10.00 O ATOM 0 H GLY A 64 12.147 -1.166 -2.882 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.780 -3.406 -1.154 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.410 -1.721 -0.847 1.00 10.00 H new ATOM 905 N CYS A 65 9.174 -2.290 -2.804 1.00 10.00 N ATOM 906 CA CYS A 65 7.784 -2.578 -3.166 1.00 10.00 C ATOM 907 C CYS A 65 7.723 -3.339 -4.487 1.00 10.00 C ATOM 908 O CYS A 65 7.089 -4.385 -4.576 1.00 10.00 O ATOM 909 CB CYS A 65 7.008 -1.295 -3.259 1.00 10.00 C ATOM 910 SG CYS A 65 6.793 -0.559 -1.611 1.00 10.00 S ATOM 0 H CYS A 65 9.633 -1.640 -3.442 1.00 10.00 H new ATOM 0 HA CYS A 65 7.339 -3.205 -2.393 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.529 -0.594 -3.911 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.033 -1.485 -3.709 1.00 10.00 H new ATOM 0 HG CYS A 65 6.122 0.550 -1.715 1.00 10.00 H new ATOM 915 N HIS A 66 8.378 -2.820 -5.524 1.00 10.00 N ATOM 916 CA HIS A 66 8.385 -3.456 -6.830 1.00 10.00 C ATOM 917 C HIS A 66 9.337 -4.664 -6.842 1.00 10.00 C ATOM 918 O HIS A 66 10.491 -4.520 -6.457 1.00 10.00 O ATOM 919 CB HIS A 66 8.807 -2.392 -7.846 1.00 10.00 C ATOM 920 CG HIS A 66 7.836 -1.260 -7.927 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.662 -1.318 -8.613 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.915 -0.030 -7.339 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.045 -0.137 -8.471 1.00 10.00 C ATOM 924 NE2 HIS A 66 6.765 0.694 -7.698 1.00 10.00 N ATOM 0 H HIS A 66 8.914 -1.953 -5.479 1.00 10.00 H new ATOM 0 HA HIS A 66 7.397 -3.842 -7.082 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.789 -2.005 -7.575 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.906 -2.852 -8.829 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.314 -2.118 -9.141 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.718 0.324 -6.710 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.095 0.114 -8.919 1.00 10.00 H new ATOM 932 N ILE A 67 8.904 -5.837 -7.319 1.00 10.00 N ATOM 933 CA ILE A 67 9.827 -6.965 -7.507 1.00 10.00 C ATOM 934 C ILE A 67 11.034 -6.559 -8.378 1.00 10.00 C ATOM 935 O ILE A 67 10.877 -6.309 -9.572 1.00 10.00 O ATOM 936 CB ILE A 67 9.094 -8.176 -8.119 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.956 -8.711 -7.228 1.00 10.00 C ATOM 938 CG2 ILE A 67 10.072 -9.314 -8.453 1.00 10.00 C ATOM 939 CD1 ILE A 67 8.413 -9.321 -5.897 1.00 10.00 C ATOM 0 H ILE A 67 7.937 -6.030 -7.579 1.00 10.00 H new ATOM 0 HA ILE A 67 10.205 -7.254 -6.526 1.00 10.00 H new ATOM 0 HB ILE A 67 8.641 -7.809 -9.040 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.263 -7.896 -7.019 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.401 -9.465 -7.786 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.522 -10.152 -8.882 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.812 -8.959 -9.171 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.576 -9.639 -7.543 1.00 10.00 H new ATOM 0 HD11 ILE A 67 7.544 -9.670 -5.339 1.00 10.00 H new ATOM 0 HD12 ILE A 67 9.080 -10.161 -6.092 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.940 -8.567 -5.313 1.00 10.00 H new ATOM 951 N LYS A 68 12.229 -6.497 -7.780 1.00 10.00 N ATOM 952 CA LYS A 68 13.485 -6.173 -8.428 1.00 10.00 C ATOM 953 C LYS A 68 14.639 -6.686 -7.552 1.00 10.00 C ATOM 954 O LYS A 68 14.472 -6.644 -6.312 1.00 10.00 O ATOM 955 CB LYS A 68 13.568 -4.652 -8.614 1.00 10.00 C ATOM 956 CG LYS A 68 14.939 -4.269 -9.175 1.00 10.00 C ATOM 957 CD LYS A 68 15.024 -2.768 -9.464 1.00 10.00 C ATOM 958 CE LYS A 68 16.397 -2.451 -10.068 1.00 10.00 C ATOM 959 NZ LYS A 68 16.550 -1.008 -10.348 1.00 10.00 N ATOM 960 OXT LYS A 68 15.682 -7.058 -8.134 1.00 10.00 O ATOM 0 H LYS A 68 12.342 -6.682 -6.783 1.00 10.00 H new ATOM 0 HA LYS A 68 13.552 -6.647 -9.407 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.782 -4.316 -9.291 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.403 -4.151 -7.660 1.00 10.00 H new ATOM 0 HG2 LYS A 68 15.716 -4.549 -8.464 1.00 10.00 H new ATOM 0 HG3 LYS A 68 15.129 -4.829 -10.091 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.233 -2.472 -10.153 1.00 10.00 H new ATOM 0 HD3 LYS A 68 14.877 -2.199 -8.546 1.00 10.00 H new ATOM 0 HE2 LYS A 68 17.180 -2.774 -9.382 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.528 -3.017 -10.990 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 17.490 -0.831 -10.756 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 15.818 -0.706 -11.022 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.449 -0.470 -9.464 1.00 10.00 H new