USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 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 HD1:sc= -0.488 X(o=0.62,f=0.16) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 1.11 K(o=0.62,f=-5!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= 0 X(o=-0.051,f=-0.088) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=0) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.198 X(o=-0.46,f=-0.31) USER MOD Set 3.2: A 30 HIS : no HD1:sc= -0.259 X(o=-0.46,f=-0.46) USER MOD Single : A 5 THR OG1 : rot -54:sc= 1.2 USER MOD Single : A 6 TYR OH : rot 77:sc= 0.219 USER MOD Single : A 8 ASN : amide:sc= 0.983! C(o=0.98!,f=-4.5!) USER MOD Single : A 12 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.34) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.06 (180deg=0.754) 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+ -173:sc= 0 (180deg=-0.0112) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.383 (180deg=-0.747) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0982 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 168:sc= 1.19 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.112 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 -9.353 -8.673 -0.651 1.00 10.00 N ATOM 14 CA ASP A 2 -8.377 -9.737 -0.417 1.00 10.00 C ATOM 15 C ASP A 2 -7.119 -9.407 -1.247 1.00 10.00 C ATOM 16 O ASP A 2 -7.180 -8.486 -2.062 1.00 10.00 O ATOM 17 CB ASP A 2 -9.009 -11.097 -0.757 1.00 10.00 C ATOM 18 CG ASP A 2 -8.212 -12.286 -0.234 1.00 10.00 C ATOM 19 OD1 ASP A 2 -7.117 -12.052 0.324 1.00 10.00 O ATOM 20 OD2 ASP A 2 -8.727 -13.412 -0.384 1.00 10.00 O ATOM 0 HA ASP A 2 -8.078 -9.802 0.629 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -10.016 -11.134 -0.342 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -9.106 -11.183 -1.839 1.00 10.00 H new ATOM 25 N VAL A 3 -5.987 -10.072 -1.005 1.00 10.00 N ATOM 26 CA VAL A 3 -4.683 -9.752 -1.589 1.00 10.00 C ATOM 27 C VAL A 3 -4.750 -9.606 -3.120 1.00 10.00 C ATOM 28 O VAL A 3 -5.218 -10.502 -3.819 1.00 10.00 O ATOM 29 CB VAL A 3 -3.616 -10.781 -1.170 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.243 -10.417 -1.755 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.466 -10.845 0.355 1.00 10.00 C ATOM 0 H VAL A 3 -5.952 -10.874 -0.376 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.387 -8.781 -1.192 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.950 -11.746 -1.552 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.507 -11.159 -1.445 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.304 -10.400 -2.843 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.942 -9.434 -1.393 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.705 -11.581 0.615 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.169 -9.867 0.733 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.417 -11.133 0.802 1.00 10.00 H new ATOM 41 N VAL A 4 -4.258 -8.472 -3.627 1.00 10.00 N ATOM 42 CA VAL A 4 -4.183 -8.155 -5.062 1.00 10.00 C ATOM 43 C VAL A 4 -2.722 -7.881 -5.468 1.00 10.00 C ATOM 44 O VAL A 4 -1.887 -7.600 -4.612 1.00 10.00 O ATOM 45 CB VAL A 4 -5.110 -6.961 -5.400 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.369 -6.827 -6.909 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.464 -7.042 -4.688 1.00 10.00 C ATOM 0 H VAL A 4 -3.890 -7.726 -3.037 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.532 -9.012 -5.639 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.569 -6.084 -5.044 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.024 -5.975 -7.091 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.423 -6.675 -7.428 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.844 -7.736 -7.279 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.071 -6.180 -4.962 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -6.977 -7.957 -4.985 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.308 -7.048 -3.609 1.00 10.00 H new ATOM 57 N THR A 5 -2.402 -7.935 -6.764 1.00 10.00 N ATOM 58 CA THR A 5 -1.068 -7.647 -7.305 1.00 10.00 C ATOM 59 C THR A 5 -1.180 -6.737 -8.536 1.00 10.00 C ATOM 60 O THR A 5 -2.170 -6.828 -9.253 1.00 10.00 O ATOM 61 CB THR A 5 -0.328 -8.978 -7.557 1.00 10.00 C ATOM 62 OG1 THR A 5 0.537 -9.249 -6.477 1.00 10.00 O ATOM 63 CG2 THR A 5 0.516 -9.022 -8.827 1.00 10.00 C ATOM 0 H THR A 5 -3.079 -8.186 -7.485 1.00 10.00 H new ATOM 0 HA THR A 5 -0.465 -7.088 -6.589 1.00 10.00 H new ATOM 0 HB THR A 5 -1.121 -9.718 -7.669 1.00 10.00 H new ATOM 0 HG1 THR A 5 1.124 -8.479 -6.327 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.994 -9.998 -8.913 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.122 -8.853 -9.694 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.280 -8.246 -8.783 1.00 10.00 H new ATOM 71 N TYR A 6 -0.241 -5.783 -8.700 1.00 10.00 N ATOM 72 CA TYR A 6 -0.369 -4.685 -9.686 1.00 10.00 C ATOM 73 C TYR A 6 0.720 -4.752 -10.758 1.00 10.00 C ATOM 74 O TYR A 6 1.777 -4.133 -10.615 1.00 10.00 O ATOM 75 CB TYR A 6 -0.378 -3.289 -9.026 1.00 10.00 C ATOM 76 CG TYR A 6 -1.679 -2.906 -8.327 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.308 -3.814 -7.456 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.299 -1.665 -8.586 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.587 -3.541 -6.953 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.543 -1.354 -7.996 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.195 -2.305 -7.194 1.00 10.00 C ATOM 82 OH TYR A 6 -5.421 -2.080 -6.651 1.00 10.00 O ATOM 0 H TYR A 6 0.622 -5.750 -8.158 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.337 -4.830 -10.165 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.433 -3.244 -8.299 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.162 -2.543 -9.790 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -1.803 -4.726 -7.174 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.820 -0.950 -9.238 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.107 -4.291 -6.375 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.993 -0.386 -8.161 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.324 -1.881 -5.696 1.00 10.00 H new ATOM 92 N GLU A 7 0.464 -5.495 -11.833 1.00 10.00 N ATOM 93 CA GLU A 7 1.443 -5.809 -12.860 1.00 10.00 C ATOM 94 C GLU A 7 1.519 -4.692 -13.909 1.00 10.00 C ATOM 95 O GLU A 7 0.657 -4.574 -14.775 1.00 10.00 O ATOM 96 CB GLU A 7 1.137 -7.197 -13.445 1.00 10.00 C ATOM 97 CG GLU A 7 0.705 -8.197 -12.349 1.00 10.00 C ATOM 98 CD GLU A 7 -0.808 -8.362 -12.275 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.475 -7.306 -12.237 1.00 10.00 O ATOM 100 OE2 GLU A 7 -1.252 -9.528 -12.235 1.00 10.00 O ATOM 0 H GLU A 7 -0.453 -5.903 -12.014 1.00 10.00 H new ATOM 0 HA GLU A 7 2.442 -5.859 -12.426 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.347 -7.111 -14.191 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.020 -7.578 -13.958 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.164 -9.166 -12.544 1.00 10.00 H new ATOM 0 HG3 GLU A 7 1.078 -7.856 -11.383 1.00 10.00 H new ATOM 107 N ASN A 8 2.553 -3.852 -13.796 1.00 10.00 N ATOM 108 CA ASN A 8 2.690 -2.620 -14.565 1.00 10.00 C ATOM 109 C ASN A 8 3.741 -2.801 -15.671 1.00 10.00 C ATOM 110 O ASN A 8 3.401 -3.074 -16.819 1.00 10.00 O ATOM 111 CB ASN A 8 2.942 -1.447 -13.593 1.00 10.00 C ATOM 112 CG ASN A 8 4.076 -1.698 -12.599 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.222 -1.336 -12.851 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.824 -2.412 -11.510 1.00 10.00 N ATOM 0 H ASN A 8 3.329 -4.016 -13.155 1.00 10.00 H new ATOM 0 HA ASN A 8 1.772 -2.373 -15.098 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.171 -0.552 -14.171 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.025 -1.244 -13.039 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.584 -2.663 -10.877 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.870 -2.710 -11.305 1.00 10.00 H new ATOM 121 N ALA A 9 5.021 -2.692 -15.313 1.00 10.00 N ATOM 122 CA ALA A 9 6.162 -2.833 -16.199 1.00 10.00 C ATOM 123 C ALA A 9 7.435 -2.908 -15.348 1.00 10.00 C ATOM 124 O ALA A 9 8.207 -3.858 -15.436 1.00 10.00 O ATOM 125 CB ALA A 9 6.197 -1.639 -17.157 1.00 10.00 C ATOM 0 H ALA A 9 5.296 -2.494 -14.351 1.00 10.00 H new ATOM 0 HA ALA A 9 6.088 -3.744 -16.793 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.051 -1.735 -17.827 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.278 -1.615 -17.742 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.287 -0.716 -16.585 1.00 10.00 H new ATOM 131 N ALA A 10 7.608 -1.941 -14.442 1.00 10.00 N ATOM 132 CA ALA A 10 8.763 -1.834 -13.559 1.00 10.00 C ATOM 133 C ALA A 10 8.604 -2.687 -12.290 1.00 10.00 C ATOM 134 O ALA A 10 8.891 -2.231 -11.184 1.00 10.00 O ATOM 135 CB ALA A 10 8.978 -0.352 -13.232 1.00 10.00 C ATOM 0 H ALA A 10 6.928 -1.194 -14.302 1.00 10.00 H new ATOM 0 HA ALA A 10 9.644 -2.229 -14.064 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.838 -0.246 -12.571 1.00 10.00 H new ATOM 0 HB2 ALA A 10 9.158 0.202 -14.154 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.091 0.044 -12.738 1.00 10.00 H new ATOM 141 N GLY A 11 8.148 -3.935 -12.439 1.00 10.00 N ATOM 142 CA GLY A 11 7.978 -4.854 -11.314 1.00 10.00 C ATOM 143 C GLY A 11 6.564 -4.747 -10.754 1.00 10.00 C ATOM 144 O GLY A 11 6.111 -3.644 -10.446 1.00 10.00 O ATOM 0 H GLY A 11 7.888 -4.334 -13.341 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.172 -5.876 -11.638 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.704 -4.624 -10.534 1.00 10.00 H new ATOM 148 N ASN A 12 5.845 -5.866 -10.625 1.00 10.00 N ATOM 149 CA ASN A 12 4.529 -5.812 -9.994 1.00 10.00 C ATOM 150 C ASN A 12 4.635 -5.590 -8.486 1.00 10.00 C ATOM 151 O ASN A 12 5.693 -5.814 -7.899 1.00 10.00 O ATOM 152 CB ASN A 12 3.677 -7.041 -10.316 1.00 10.00 C ATOM 153 CG ASN A 12 4.171 -8.312 -9.642 1.00 10.00 C ATOM 154 OD1 ASN A 12 3.953 -8.535 -8.461 1.00 10.00 O ATOM 155 ND2 ASN A 12 4.838 -9.177 -10.394 1.00 10.00 N ATOM 0 H ASN A 12 6.141 -6.790 -10.938 1.00 10.00 H new ATOM 0 HA ASN A 12 4.016 -4.950 -10.421 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.649 -6.852 -10.008 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.664 -7.192 -11.395 1.00 10.00 H new ATOM 0 HD21 ASN A 12 5.180 -10.048 -9.988 1.00 10.00 H new ATOM 0 HD22 ASN A 12 5.009 -8.971 -11.378 1.00 10.00 H new ATOM 162 N VAL A 13 3.527 -5.164 -7.880 1.00 10.00 N ATOM 163 CA VAL A 13 3.388 -5.022 -6.433 1.00 10.00 C ATOM 164 C VAL A 13 2.473 -6.112 -5.856 1.00 10.00 C ATOM 165 O VAL A 13 1.857 -6.868 -6.606 1.00 10.00 O ATOM 166 CB VAL A 13 2.905 -3.587 -6.133 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.408 -3.479 -5.827 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.686 -2.968 -4.977 1.00 10.00 C ATOM 0 H VAL A 13 2.685 -4.903 -8.393 1.00 10.00 H new ATOM 0 HA VAL A 13 4.348 -5.167 -5.937 1.00 10.00 H new ATOM 0 HB VAL A 13 3.090 -3.038 -7.056 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.152 -2.439 -5.628 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.835 -3.836 -6.683 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.171 -4.085 -4.953 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.321 -1.958 -4.791 1.00 10.00 H new ATOM 0 HG22 VAL A 13 3.550 -3.573 -4.081 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.745 -2.930 -5.232 1.00 10.00 H new ATOM 178 N THR A 14 2.328 -6.117 -4.530 1.00 10.00 N ATOM 179 CA THR A 14 1.395 -6.898 -3.734 1.00 10.00 C ATOM 180 C THR A 14 0.599 -5.893 -2.905 1.00 10.00 C ATOM 181 O THR A 14 1.056 -5.359 -1.899 1.00 10.00 O ATOM 182 CB THR A 14 2.099 -7.917 -2.827 1.00 10.00 C ATOM 183 OG1 THR A 14 2.821 -8.836 -3.615 1.00 10.00 O ATOM 184 CG2 THR A 14 1.070 -8.729 -2.034 1.00 10.00 C ATOM 0 H THR A 14 2.912 -5.523 -3.941 1.00 10.00 H new ATOM 0 HA THR A 14 0.752 -7.489 -4.386 1.00 10.00 H new ATOM 0 HB THR A 14 2.756 -7.366 -2.155 1.00 10.00 H new ATOM 0 HG1 THR A 14 3.270 -9.484 -3.033 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.586 -9.447 -1.396 1.00 10.00 H new ATOM 0 HG22 THR A 14 0.474 -8.057 -1.416 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.416 -9.262 -2.725 1.00 10.00 H new ATOM 192 N PHE A 15 -0.594 -5.599 -3.392 1.00 10.00 N ATOM 193 CA PHE A 15 -1.681 -5.010 -2.621 1.00 10.00 C ATOM 194 C PHE A 15 -2.141 -5.970 -1.522 1.00 10.00 C ATOM 195 O PHE A 15 -3.108 -6.719 -1.688 1.00 10.00 O ATOM 196 CB PHE A 15 -2.829 -4.632 -3.564 1.00 10.00 C ATOM 197 CG PHE A 15 -2.872 -3.160 -3.866 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.763 -2.553 -4.472 1.00 10.00 C ATOM 199 CD2 PHE A 15 -4.001 -2.398 -3.529 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.735 -1.166 -4.655 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.974 -1.010 -3.717 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.813 -0.391 -4.201 1.00 10.00 C ATOM 0 H PHE A 15 -0.843 -5.768 -4.366 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.330 -4.103 -2.129 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.725 -5.187 -4.496 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.776 -4.935 -3.117 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.929 -3.157 -4.798 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.882 -2.877 -3.129 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.892 -0.697 -5.141 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.847 -0.417 -3.489 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.748 0.687 -4.225 1.00 10.00 H new ATOM 212 N ASP A 16 -1.471 -5.919 -0.373 1.00 10.00 N ATOM 213 CA ASP A 16 -1.863 -6.685 0.786 1.00 10.00 C ATOM 214 C ASP A 16 -3.148 -6.090 1.364 1.00 10.00 C ATOM 215 O ASP A 16 -3.126 -5.254 2.260 1.00 10.00 O ATOM 216 CB ASP A 16 -0.701 -6.681 1.787 1.00 10.00 C ATOM 217 CG ASP A 16 0.485 -7.472 1.272 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.352 -8.714 1.260 1.00 10.00 O ATOM 219 OD2 ASP A 16 1.481 -6.823 0.890 1.00 10.00 O ATOM 0 H ASP A 16 -0.642 -5.342 -0.229 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.076 -7.723 0.530 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.395 -5.654 1.985 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.036 -7.102 2.735 1.00 10.00 H new ATOM 224 N HIS A 17 -4.294 -6.527 0.849 1.00 10.00 N ATOM 225 CA HIS A 17 -5.567 -6.273 1.503 1.00 10.00 C ATOM 226 C HIS A 17 -5.616 -7.077 2.809 1.00 10.00 C ATOM 227 O HIS A 17 -5.643 -6.514 3.901 1.00 10.00 O ATOM 228 CB HIS A 17 -6.723 -6.621 0.546 1.00 10.00 C ATOM 229 CG HIS A 17 -7.618 -5.457 0.229 1.00 10.00 C ATOM 230 ND1 HIS A 17 -7.843 -4.925 -1.015 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.140 -4.592 1.147 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.463 -3.744 -0.835 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.641 -3.473 0.474 1.00 10.00 N ATOM 0 H HIS A 17 -4.364 -7.058 -0.019 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.674 -5.218 1.754 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.308 -7.012 -0.383 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.321 -7.418 0.988 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.588 -5.345 -1.909 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.162 -4.746 2.216 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -8.778 -3.095 -1.638 1.00 10.00 H new ATOM 241 N LYS A 18 -5.598 -8.406 2.687 1.00 10.00 N ATOM 242 CA LYS A 18 -5.845 -9.329 3.784 1.00 10.00 C ATOM 243 C LYS A 18 -4.692 -9.329 4.796 1.00 10.00 C ATOM 244 O LYS A 18 -4.901 -9.009 5.960 1.00 10.00 O ATOM 245 CB LYS A 18 -6.151 -10.715 3.190 1.00 10.00 C ATOM 246 CG LYS A 18 -7.117 -11.570 4.021 1.00 10.00 C ATOM 247 CD LYS A 18 -6.393 -12.310 5.153 1.00 10.00 C ATOM 248 CE LYS A 18 -7.376 -12.901 6.171 1.00 10.00 C ATOM 249 NZ LYS A 18 -8.275 -13.905 5.572 1.00 10.00 N ATOM 0 H LYS A 18 -5.407 -8.875 1.802 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.713 -9.009 4.361 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.570 -10.583 2.193 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.214 -11.260 3.073 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.895 -10.934 4.442 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.612 -12.293 3.373 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.782 -13.109 4.732 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.715 -11.624 5.660 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -6.817 -13.359 6.987 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.972 -12.098 6.605 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.919 -14.273 6.301 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -8.830 -13.464 4.811 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.711 -14.687 5.181 1.00 10.00 H new ATOM 263 N ALA A 19 -3.471 -9.669 4.372 1.00 10.00 N ATOM 264 CA ALA A 19 -2.322 -9.804 5.270 1.00 10.00 C ATOM 265 C ALA A 19 -2.058 -8.534 6.091 1.00 10.00 C ATOM 266 O ALA A 19 -1.855 -8.605 7.301 1.00 10.00 O ATOM 267 CB ALA A 19 -1.092 -10.209 4.454 1.00 10.00 C ATOM 0 H ALA A 19 -3.252 -9.859 3.394 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.549 -10.583 5.998 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.233 -10.311 5.117 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.282 -11.160 3.957 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -0.884 -9.444 3.706 1.00 10.00 H new ATOM 273 N HIS A 20 -2.106 -7.357 5.457 1.00 10.00 N ATOM 274 CA HIS A 20 -2.088 -6.109 6.210 1.00 10.00 C ATOM 275 C HIS A 20 -3.348 -5.958 7.079 1.00 10.00 C ATOM 276 O HIS A 20 -3.214 -5.700 8.269 1.00 10.00 O ATOM 277 CB HIS A 20 -1.887 -4.902 5.291 1.00 10.00 C ATOM 278 CG HIS A 20 -0.479 -4.656 4.800 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.623 -5.449 5.034 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.024 -3.486 4.243 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.704 -4.769 4.618 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.368 -3.558 4.138 1.00 10.00 N ATOM 0 H HIS A 20 -2.157 -7.248 4.444 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.233 -6.147 6.884 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.535 -5.022 4.423 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.225 -4.011 5.820 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.619 -6.381 5.447 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.638 -2.651 3.938 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.715 -5.147 4.663 1.00 10.00 H new ATOM 290 N ALA A 21 -4.568 -6.127 6.546 1.00 10.00 N ATOM 291 CA ALA A 21 -5.792 -6.012 7.347 1.00 10.00 C ATOM 292 C ALA A 21 -5.728 -6.809 8.656 1.00 10.00 C ATOM 293 O ALA A 21 -6.027 -6.266 9.715 1.00 10.00 O ATOM 294 CB ALA A 21 -7.019 -6.438 6.545 1.00 10.00 C ATOM 0 H ALA A 21 -4.731 -6.344 5.563 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.879 -4.958 7.609 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.910 -6.342 7.165 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.118 -5.801 5.666 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.906 -7.476 6.231 1.00 10.00 H new ATOM 300 N GLU A 22 -5.279 -8.062 8.589 1.00 10.00 N ATOM 301 CA GLU A 22 -5.036 -8.922 9.743 1.00 10.00 C ATOM 302 C GLU A 22 -4.208 -8.226 10.845 1.00 10.00 C ATOM 303 O GLU A 22 -4.429 -8.459 12.032 1.00 10.00 O ATOM 304 CB GLU A 22 -4.348 -10.202 9.242 1.00 10.00 C ATOM 305 CG GLU A 22 -5.276 -11.076 8.381 1.00 10.00 C ATOM 306 CD GLU A 22 -6.278 -11.892 9.187 1.00 10.00 C ATOM 307 OE1 GLU A 22 -5.817 -12.765 9.948 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.488 -11.683 8.956 1.00 10.00 O ATOM 0 H GLU A 22 -5.068 -8.519 7.702 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.989 -9.164 10.213 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.467 -9.932 8.660 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.000 -10.781 10.097 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.819 -10.436 7.685 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.668 -11.754 7.782 1.00 10.00 H new ATOM 315 N LYS A 23 -3.262 -7.360 10.458 1.00 10.00 N ATOM 316 CA LYS A 23 -2.386 -6.607 11.355 1.00 10.00 C ATOM 317 C LYS A 23 -2.754 -5.119 11.522 1.00 10.00 C ATOM 318 O LYS A 23 -2.168 -4.472 12.392 1.00 10.00 O ATOM 319 CB LYS A 23 -0.934 -6.741 10.849 1.00 10.00 C ATOM 320 CG LYS A 23 -0.033 -7.559 11.792 1.00 10.00 C ATOM 321 CD LYS A 23 1.304 -6.861 12.087 1.00 10.00 C ATOM 322 CE LYS A 23 1.224 -5.803 13.201 1.00 10.00 C ATOM 323 NZ LYS A 23 0.481 -4.588 12.800 1.00 10.00 N ATOM 0 H LYS A 23 -3.082 -7.160 9.474 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.509 -7.040 12.348 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.941 -7.212 9.866 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.507 -5.746 10.723 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.561 -7.736 12.729 1.00 10.00 H new ATOM 0 HG3 LYS A 23 0.162 -8.535 11.347 1.00 10.00 H new ATOM 0 HD2 LYS A 23 2.041 -7.614 12.367 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.664 -6.386 11.174 1.00 10.00 H new ATOM 0 HE2 LYS A 23 0.744 -6.242 14.076 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.234 -5.521 13.499 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 0.660 -3.829 13.488 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 0.798 -4.283 11.858 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -0.537 -4.797 12.772 1.00 10.00 H new ATOM 337 N LEU A 24 -3.632 -4.563 10.681 1.00 10.00 N ATOM 338 CA LEU A 24 -3.932 -3.128 10.589 1.00 10.00 C ATOM 339 C LEU A 24 -5.401 -2.770 10.900 1.00 10.00 C ATOM 340 O LEU A 24 -5.678 -1.668 11.362 1.00 10.00 O ATOM 341 CB LEU A 24 -3.556 -2.621 9.191 1.00 10.00 C ATOM 342 CG LEU A 24 -2.072 -2.677 8.791 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.916 -1.889 7.485 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.140 -2.047 9.833 1.00 10.00 C ATOM 0 H LEU A 24 -4.174 -5.120 10.020 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.336 -2.636 11.357 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.123 -3.197 8.460 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.888 -1.586 9.108 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.793 -3.726 8.695 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.872 -1.908 7.171 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.536 -2.341 6.711 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.229 -0.857 7.643 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.108 -2.120 9.489 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.404 -0.998 9.970 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.245 -2.575 10.781 1.00 10.00 H new ATOM 356 N GLY A 25 -6.351 -3.672 10.638 1.00 10.00 N ATOM 357 CA GLY A 25 -7.753 -3.524 11.038 1.00 10.00 C ATOM 358 C GLY A 25 -8.605 -2.601 10.160 1.00 10.00 C ATOM 359 O GLY A 25 -9.485 -1.920 10.674 1.00 10.00 O ATOM 0 H GLY A 25 -6.165 -4.539 10.134 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.214 -4.512 11.048 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.781 -3.149 12.061 1.00 10.00 H new ATOM 363 N CYS A 26 -8.364 -2.599 8.843 1.00 10.00 N ATOM 364 CA CYS A 26 -9.041 -1.804 7.804 1.00 10.00 C ATOM 365 C CYS A 26 -8.873 -0.283 7.964 1.00 10.00 C ATOM 366 O CYS A 26 -8.374 0.371 7.048 1.00 10.00 O ATOM 367 CB CYS A 26 -10.504 -2.145 7.663 1.00 10.00 C ATOM 368 SG CYS A 26 -10.911 -3.918 7.576 1.00 10.00 S ATOM 0 H CYS A 26 -7.639 -3.195 8.444 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.527 -2.090 6.886 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.040 -1.711 8.507 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.883 -1.662 6.763 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.198 -4.063 7.459 1.00 10.00 H new ATOM 373 N ASP A 27 -9.292 0.279 9.104 1.00 10.00 N ATOM 374 CA ASP A 27 -9.290 1.702 9.432 1.00 10.00 C ATOM 375 C ASP A 27 -7.960 2.368 9.067 1.00 10.00 C ATOM 376 O ASP A 27 -7.932 3.435 8.457 1.00 10.00 O ATOM 377 CB ASP A 27 -9.603 1.867 10.926 1.00 10.00 C ATOM 378 CG ASP A 27 -11.027 1.472 11.288 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.945 1.907 10.561 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.170 0.759 12.302 1.00 10.00 O ATOM 0 H ASP A 27 -9.664 -0.287 9.867 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.058 2.202 8.841 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.906 1.261 11.505 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.437 2.905 11.213 1.00 10.00 H new ATOM 385 N ALA A 28 -6.861 1.672 9.362 1.00 10.00 N ATOM 386 CA ALA A 28 -5.495 2.030 8.987 1.00 10.00 C ATOM 387 C ALA A 28 -5.320 2.524 7.539 1.00 10.00 C ATOM 388 O ALA A 28 -4.408 3.300 7.264 1.00 10.00 O ATOM 389 CB ALA A 28 -4.656 0.777 9.190 1.00 10.00 C ATOM 0 H ALA A 28 -6.903 0.803 9.894 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.191 2.873 9.607 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.620 0.986 8.924 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.708 0.470 10.235 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.039 -0.024 8.557 1.00 10.00 H new ATOM 395 N CYS A 29 -6.156 2.043 6.611 1.00 10.00 N ATOM 396 CA CYS A 29 -6.152 2.428 5.202 1.00 10.00 C ATOM 397 C CYS A 29 -7.477 3.088 4.778 1.00 10.00 C ATOM 398 O CYS A 29 -7.657 3.440 3.614 1.00 10.00 O ATOM 399 CB CYS A 29 -5.949 1.189 4.378 1.00 10.00 C ATOM 400 SG CYS A 29 -4.304 0.416 4.577 1.00 10.00 S ATOM 0 H CYS A 29 -6.875 1.354 6.831 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.353 3.153 5.048 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.715 0.460 4.644 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.096 1.437 3.327 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.229 -0.644 3.828 1.00 10.00 H new ATOM 405 N HIS A 30 -8.434 3.209 5.700 1.00 10.00 N ATOM 406 CA HIS A 30 -9.821 3.499 5.394 1.00 10.00 C ATOM 407 C HIS A 30 -10.535 4.130 6.587 1.00 10.00 C ATOM 408 O HIS A 30 -11.361 3.484 7.230 1.00 10.00 O ATOM 409 CB HIS A 30 -10.521 2.190 5.016 1.00 10.00 C ATOM 410 CG HIS A 30 -10.131 1.544 3.722 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.316 2.063 2.470 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.787 0.236 3.569 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.050 1.087 1.577 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.726 -0.060 2.198 1.00 10.00 N ATOM 0 H HIS A 30 -8.254 3.105 6.699 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.857 4.209 4.568 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.345 1.472 5.817 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.594 2.379 4.987 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.593 -0.460 4.371 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.092 1.211 0.505 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.487 -0.953 1.766 1.00 10.00 H new ATOM 422 N GLU A 31 -10.255 5.402 6.849 1.00 10.00 N ATOM 423 CA GLU A 31 -10.749 6.075 8.032 1.00 10.00 C ATOM 424 C GLU A 31 -12.267 6.353 7.995 1.00 10.00 C ATOM 425 O GLU A 31 -12.698 7.490 7.818 1.00 10.00 O ATOM 426 CB GLU A 31 -9.931 7.353 8.212 1.00 10.00 C ATOM 427 CG GLU A 31 -8.452 7.064 8.525 1.00 10.00 C ATOM 428 CD GLU A 31 -7.672 8.338 8.821 1.00 10.00 C ATOM 429 OE1 GLU A 31 -7.541 9.148 7.879 1.00 10.00 O ATOM 430 OE2 GLU A 31 -7.233 8.479 9.982 1.00 10.00 O ATOM 0 H GLU A 31 -9.680 5.990 6.245 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.622 5.418 8.893 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -9.997 7.954 7.305 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.361 7.946 9.019 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.387 6.392 9.381 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.997 6.548 7.680 1.00 10.00 H new ATOM 437 N GLY A 32 -13.077 5.306 8.179 1.00 10.00 N ATOM 438 CA GLY A 32 -14.531 5.357 8.075 1.00 10.00 C ATOM 439 C GLY A 32 -15.005 5.116 6.635 1.00 10.00 C ATOM 440 O GLY A 32 -14.599 5.826 5.719 1.00 10.00 O ATOM 0 H GLY A 32 -12.726 4.377 8.410 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.970 4.607 8.733 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.887 6.329 8.418 1.00 10.00 H new ATOM 444 N THR A 33 -15.862 4.108 6.431 1.00 10.00 N ATOM 445 CA THR A 33 -16.471 3.775 5.135 1.00 10.00 C ATOM 446 C THR A 33 -15.431 3.343 4.085 1.00 10.00 C ATOM 447 O THR A 33 -14.961 4.172 3.305 1.00 10.00 O ATOM 448 CB THR A 33 -17.349 4.931 4.618 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.308 5.268 5.597 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.126 4.536 3.358 1.00 10.00 C ATOM 0 H THR A 33 -16.159 3.485 7.182 1.00 10.00 H new ATOM 0 HA THR A 33 -17.115 2.912 5.303 1.00 10.00 H new ATOM 0 HB THR A 33 -16.682 5.763 4.394 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.865 6.004 5.269 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.733 5.378 3.026 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.425 4.260 2.570 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.774 3.688 3.581 1.00 10.00 H new ATOM 458 N PRO A 34 -15.067 2.052 4.013 1.00 10.00 N ATOM 459 CA PRO A 34 -14.107 1.587 3.026 1.00 10.00 C ATOM 460 C PRO A 34 -14.708 1.642 1.617 1.00 10.00 C ATOM 461 O PRO A 34 -15.912 1.471 1.430 1.00 10.00 O ATOM 462 CB PRO A 34 -13.765 0.158 3.441 1.00 10.00 C ATOM 463 CG PRO A 34 -15.068 -0.324 4.076 1.00 10.00 C ATOM 464 CD PRO A 34 -15.580 0.929 4.786 1.00 10.00 C ATOM 0 HA PRO A 34 -13.214 2.212 2.992 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.479 -0.455 2.586 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.935 0.128 4.147 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.775 -0.683 3.328 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.899 -1.144 4.774 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.669 0.942 4.822 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.227 0.968 5.816 1.00 10.00 H new ATOM 472 N ALA A 35 -13.855 1.883 0.623 1.00 10.00 N ATOM 473 CA ALA A 35 -14.227 2.086 -0.772 1.00 10.00 C ATOM 474 C ALA A 35 -12.965 1.962 -1.634 1.00 10.00 C ATOM 475 O ALA A 35 -11.873 1.772 -1.092 1.00 10.00 O ATOM 476 CB ALA A 35 -14.870 3.473 -0.916 1.00 10.00 C ATOM 0 H ALA A 35 -12.848 1.944 0.775 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.949 1.338 -1.101 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -15.153 3.637 -1.956 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.757 3.530 -0.285 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.157 4.238 -0.609 1.00 10.00 H new ATOM 482 N LYS A 36 -13.083 2.084 -2.961 1.00 10.00 N ATOM 483 CA LYS A 36 -11.889 2.225 -3.792 1.00 10.00 C ATOM 484 C LYS A 36 -11.224 3.602 -3.608 1.00 10.00 C ATOM 485 O LYS A 36 -11.869 4.570 -3.210 1.00 10.00 O ATOM 486 CB LYS A 36 -12.171 1.918 -5.271 1.00 10.00 C ATOM 487 CG LYS A 36 -12.278 0.416 -5.570 1.00 10.00 C ATOM 488 CD LYS A 36 -12.136 0.119 -7.074 1.00 10.00 C ATOM 489 CE LYS A 36 -13.481 -0.017 -7.795 1.00 10.00 C ATOM 490 NZ LYS A 36 -14.130 -1.302 -7.460 1.00 10.00 N ATOM 0 H LYS A 36 -13.968 2.088 -3.468 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.176 1.476 -3.448 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -13.099 2.407 -5.566 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -11.377 2.347 -5.882 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -11.505 -0.120 -5.019 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.239 0.043 -5.215 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -11.560 0.917 -7.542 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -11.568 -0.802 -7.203 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -14.134 0.809 -7.514 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -13.329 0.049 -8.872 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -14.979 -1.426 -8.048 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -13.467 -2.083 -7.640 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -14.401 -1.303 -6.456 1.00 10.00 H new ATOM 504 N ILE A 37 -9.918 3.668 -3.886 1.00 10.00 N ATOM 505 CA ILE A 37 -9.068 4.854 -3.794 1.00 10.00 C ATOM 506 C ILE A 37 -8.190 4.868 -5.055 1.00 10.00 C ATOM 507 O ILE A 37 -7.806 3.801 -5.528 1.00 10.00 O ATOM 508 CB ILE A 37 -8.208 4.784 -2.510 1.00 10.00 C ATOM 509 CG1 ILE A 37 -9.094 4.741 -1.247 1.00 10.00 C ATOM 510 CG2 ILE A 37 -7.239 5.978 -2.442 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.306 4.501 0.046 1.00 10.00 C ATOM 0 H ILE A 37 -9.399 2.848 -4.199 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.658 5.769 -3.736 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.627 3.863 -2.548 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.638 5.682 -1.162 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.838 3.952 -1.361 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.643 5.911 -1.532 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.580 5.961 -3.310 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.807 6.908 -2.436 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.993 4.483 0.892 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.784 3.546 -0.018 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.581 5.303 0.184 1.00 10.00 H new ATOM 523 N ALA A 38 -7.881 6.041 -5.615 1.00 10.00 N ATOM 524 CA ALA A 38 -7.026 6.127 -6.800 1.00 10.00 C ATOM 525 C ALA A 38 -5.550 5.861 -6.472 1.00 10.00 C ATOM 526 O ALA A 38 -4.908 6.621 -5.748 1.00 10.00 O ATOM 527 CB ALA A 38 -7.209 7.478 -7.488 1.00 10.00 C ATOM 0 H ALA A 38 -8.210 6.942 -5.267 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.336 5.341 -7.489 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.567 7.528 -8.368 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.250 7.594 -7.791 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.941 8.277 -6.797 1.00 10.00 H new ATOM 533 N ILE A 39 -5.041 4.745 -6.993 1.00 10.00 N ATOM 534 CA ILE A 39 -3.666 4.288 -6.858 1.00 10.00 C ATOM 535 C ILE A 39 -2.954 4.409 -8.203 1.00 10.00 C ATOM 536 O ILE A 39 -3.236 3.664 -9.140 1.00 10.00 O ATOM 537 CB ILE A 39 -3.673 2.846 -6.355 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.424 2.781 -5.013 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.253 2.249 -6.292 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.814 3.593 -3.855 1.00 10.00 C ATOM 0 H ILE A 39 -5.609 4.105 -7.548 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.126 4.903 -6.138 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.207 2.218 -7.067 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.445 3.127 -5.174 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.486 1.737 -4.705 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.306 1.223 -5.929 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.809 2.260 -7.288 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.639 2.842 -5.615 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.428 3.471 -2.962 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.804 3.236 -3.653 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.778 4.647 -4.129 1.00 10.00 H new ATOM 552 N ASP A 40 -1.995 5.327 -8.247 1.00 10.00 N ATOM 553 CA ASP A 40 -1.224 5.676 -9.425 1.00 10.00 C ATOM 554 C ASP A 40 0.227 5.960 -9.020 1.00 10.00 C ATOM 555 O ASP A 40 0.524 6.178 -7.837 1.00 10.00 O ATOM 556 CB ASP A 40 -1.831 6.947 -10.045 1.00 10.00 C ATOM 557 CG ASP A 40 -3.315 6.847 -10.370 1.00 10.00 C ATOM 558 OD1 ASP A 40 -4.117 7.029 -9.428 1.00 10.00 O ATOM 559 OD2 ASP A 40 -3.614 6.651 -11.566 1.00 10.00 O ATOM 0 H ASP A 40 -1.726 5.869 -7.426 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.246 4.855 -10.142 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.678 7.779 -9.358 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.287 7.185 -10.959 1.00 10.00 H new ATOM 564 N LYS A 41 1.108 6.053 -10.018 1.00 10.00 N ATOM 565 CA LYS A 41 2.465 6.588 -9.926 1.00 10.00 C ATOM 566 C LYS A 41 2.565 8.065 -9.497 1.00 10.00 C ATOM 567 O LYS A 41 3.126 8.908 -10.193 1.00 10.00 O ATOM 568 CB LYS A 41 3.229 6.288 -11.218 1.00 10.00 C ATOM 569 CG LYS A 41 2.575 6.846 -12.496 1.00 10.00 C ATOM 570 CD LYS A 41 3.473 6.498 -13.689 1.00 10.00 C ATOM 571 CE LYS A 41 2.816 6.742 -15.049 1.00 10.00 C ATOM 572 NZ LYS A 41 3.621 6.118 -16.123 1.00 10.00 N ATOM 0 H LYS A 41 0.880 5.740 -10.962 1.00 10.00 H new ATOM 0 HA LYS A 41 2.945 6.066 -9.098 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.235 6.698 -11.132 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.332 5.208 -11.321 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.581 6.419 -12.632 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.450 7.926 -12.418 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.388 7.087 -13.627 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.764 5.450 -13.619 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.807 6.329 -15.053 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.723 7.813 -15.229 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 3.166 6.290 -17.042 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.575 6.531 -16.126 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.688 5.094 -15.956 1.00 10.00 H new ATOM 586 N LYS A 42 2.063 8.355 -8.297 1.00 10.00 N ATOM 587 CA LYS A 42 2.027 9.659 -7.656 1.00 10.00 C ATOM 588 C LYS A 42 1.698 9.425 -6.171 1.00 10.00 C ATOM 589 O LYS A 42 2.601 9.284 -5.343 1.00 10.00 O ATOM 590 CB LYS A 42 1.014 10.543 -8.410 1.00 10.00 C ATOM 591 CG LYS A 42 0.932 11.989 -7.907 1.00 10.00 C ATOM 592 CD LYS A 42 0.071 12.790 -8.896 1.00 10.00 C ATOM 593 CE LYS A 42 -0.025 14.269 -8.502 1.00 10.00 C ATOM 594 NZ LYS A 42 -0.793 15.042 -9.504 1.00 10.00 N ATOM 0 H LYS A 42 1.644 7.633 -7.712 1.00 10.00 H new ATOM 0 HA LYS A 42 2.977 10.193 -7.695 1.00 10.00 H new ATOM 0 HB2 LYS A 42 1.278 10.554 -9.468 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.026 10.088 -8.333 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.495 12.021 -6.909 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.929 12.423 -7.832 1.00 10.00 H new ATOM 0 HD2 LYS A 42 0.495 12.708 -9.897 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -0.930 12.360 -8.938 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.503 14.358 -7.526 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.977 14.688 -8.406 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.841 16.039 -9.211 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -0.322 14.976 -10.429 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.756 14.656 -9.577 1.00 10.00 H new ATOM 608 N SER A 43 0.412 9.276 -5.844 1.00 10.00 N ATOM 609 CA SER A 43 -0.085 8.966 -4.508 1.00 10.00 C ATOM 610 C SER A 43 0.685 7.815 -3.851 1.00 10.00 C ATOM 611 O SER A 43 1.126 7.948 -2.706 1.00 10.00 O ATOM 612 CB SER A 43 -1.585 8.656 -4.622 1.00 10.00 C ATOM 613 OG SER A 43 -2.211 9.727 -5.307 1.00 10.00 O ATOM 0 H SER A 43 -0.337 9.372 -6.530 1.00 10.00 H new ATOM 0 HA SER A 43 0.070 9.826 -3.856 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.739 7.720 -5.159 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.023 8.531 -3.632 1.00 10.00 H new ATOM 0 HG SER A 43 -3.170 9.545 -5.391 1.00 10.00 H new ATOM 619 N ALA A 44 0.890 6.721 -4.601 1.00 10.00 N ATOM 620 CA ALA A 44 1.543 5.504 -4.110 1.00 10.00 C ATOM 621 C ALA A 44 3.018 5.705 -3.722 1.00 10.00 C ATOM 622 O ALA A 44 3.578 4.912 -2.966 1.00 10.00 O ATOM 623 CB ALA A 44 1.414 4.410 -5.175 1.00 10.00 C ATOM 0 H ALA A 44 0.602 6.659 -5.578 1.00 10.00 H new ATOM 0 HA ALA A 44 1.036 5.212 -3.190 1.00 10.00 H new ATOM 0 HB1 ALA A 44 1.896 3.499 -4.821 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.360 4.211 -5.367 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.894 4.740 -6.096 1.00 10.00 H new ATOM 629 N HIS A 45 3.658 6.750 -4.261 1.00 10.00 N ATOM 630 CA HIS A 45 5.058 7.074 -3.990 1.00 10.00 C ATOM 631 C HIS A 45 5.187 8.236 -2.996 1.00 10.00 C ATOM 632 O HIS A 45 6.194 8.342 -2.301 1.00 10.00 O ATOM 633 CB HIS A 45 5.787 7.357 -5.307 1.00 10.00 C ATOM 634 CG HIS A 45 5.670 6.199 -6.264 1.00 10.00 C ATOM 635 ND1 HIS A 45 4.595 5.980 -7.084 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.451 5.071 -6.296 1.00 10.00 C ATOM 637 CE1 HIS A 45 4.737 4.753 -7.608 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.850 4.150 -7.164 1.00 10.00 N ATOM 0 H HIS A 45 3.209 7.401 -4.906 1.00 10.00 H new ATOM 0 HA HIS A 45 5.532 6.215 -3.516 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.373 8.254 -5.768 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.839 7.559 -5.105 1.00 10.00 H new ATOM 0 HD2 HIS A 45 7.369 4.920 -5.748 1.00 10.00 H new ATOM 0 HE1 HIS A 45 4.041 4.306 -8.302 1.00 10.00 H new ATOM 0 HE2 HIS A 45 6.187 3.218 -7.407 1.00 10.00 H new ATOM 646 N LYS A 46 4.161 9.090 -2.910 1.00 10.00 N ATOM 647 CA LYS A 46 4.136 10.223 -1.994 1.00 10.00 C ATOM 648 C LYS A 46 3.787 9.780 -0.573 1.00 10.00 C ATOM 649 O LYS A 46 4.580 9.976 0.347 1.00 10.00 O ATOM 650 CB LYS A 46 3.108 11.267 -2.457 1.00 10.00 C ATOM 651 CG LYS A 46 3.601 12.103 -3.644 1.00 10.00 C ATOM 652 CD LYS A 46 2.610 13.227 -3.997 1.00 10.00 C ATOM 653 CE LYS A 46 2.853 14.552 -3.250 1.00 10.00 C ATOM 654 NZ LYS A 46 2.701 14.435 -1.782 1.00 10.00 N ATOM 0 H LYS A 46 3.320 9.009 -3.482 1.00 10.00 H new ATOM 0 HA LYS A 46 5.133 10.663 -1.993 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.183 10.761 -2.734 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.871 11.930 -1.625 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.573 12.536 -3.406 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.743 11.457 -4.510 1.00 10.00 H new ATOM 0 HD2 LYS A 46 2.661 13.415 -5.069 1.00 10.00 H new ATOM 0 HD3 LYS A 46 1.598 12.883 -3.781 1.00 10.00 H new ATOM 0 HE2 LYS A 46 3.857 14.909 -3.477 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.156 15.303 -3.621 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 2.624 15.384 -1.364 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 1.842 13.890 -1.564 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 3.530 13.949 -1.385 1.00 10.00 H new ATOM 668 N ASP A 47 2.564 9.268 -0.405 1.00 10.00 N ATOM 669 CA ASP A 47 1.921 9.188 0.898 1.00 10.00 C ATOM 670 C ASP A 47 1.161 7.873 1.085 1.00 10.00 C ATOM 671 O ASP A 47 1.503 7.096 1.979 1.00 10.00 O ATOM 672 CB ASP A 47 1.032 10.421 1.087 1.00 10.00 C ATOM 673 CG ASP A 47 0.409 10.395 2.469 1.00 10.00 C ATOM 674 OD1 ASP A 47 1.118 10.815 3.407 1.00 10.00 O ATOM 675 OD2 ASP A 47 -0.732 9.901 2.556 1.00 10.00 O ATOM 0 H ASP A 47 1.998 8.900 -1.170 1.00 10.00 H new ATOM 0 HA ASP A 47 2.683 9.187 1.677 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.621 11.329 0.960 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.252 10.439 0.326 1.00 10.00 H new ATOM 680 N ALA A 48 0.175 7.598 0.220 1.00 10.00 N ATOM 681 CA ALA A 48 -0.538 6.331 0.224 1.00 10.00 C ATOM 682 C ALA A 48 0.471 5.181 0.265 1.00 10.00 C ATOM 683 O ALA A 48 1.350 5.092 -0.592 1.00 10.00 O ATOM 684 CB ALA A 48 -1.450 6.242 -1.003 1.00 10.00 C ATOM 0 H ALA A 48 -0.143 8.251 -0.496 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.169 6.260 1.110 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.981 5.290 -0.993 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.170 7.060 -0.981 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.849 6.313 -1.909 1.00 10.00 H new ATOM 690 N CYS A 49 0.402 4.364 1.322 1.00 10.00 N ATOM 691 CA CYS A 49 1.313 3.249 1.586 1.00 10.00 C ATOM 692 C CYS A 49 2.686 3.718 2.061 1.00 10.00 C ATOM 693 O CYS A 49 3.123 3.353 3.155 1.00 10.00 O ATOM 694 CB CYS A 49 1.386 2.294 0.414 1.00 10.00 C ATOM 695 SG CYS A 49 -0.325 1.952 -0.115 1.00 10.00 S ATOM 0 H CYS A 49 -0.315 4.466 2.041 1.00 10.00 H new ATOM 0 HA CYS A 49 0.893 2.683 2.417 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.960 2.731 -0.403 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.891 1.372 0.701 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.312 1.134 -1.125 1.00 10.00 H new ATOM 700 N LYS A 50 3.370 4.551 1.270 1.00 10.00 N ATOM 701 CA LYS A 50 4.693 5.016 1.639 1.00 10.00 C ATOM 702 C LYS A 50 4.745 5.640 3.037 1.00 10.00 C ATOM 703 O LYS A 50 5.561 5.203 3.845 1.00 10.00 O ATOM 704 CB LYS A 50 5.245 5.950 0.563 1.00 10.00 C ATOM 705 CG LYS A 50 5.875 5.172 -0.600 1.00 10.00 C ATOM 706 CD LYS A 50 7.368 4.829 -0.428 1.00 10.00 C ATOM 707 CE LYS A 50 7.668 3.783 0.658 1.00 10.00 C ATOM 708 NZ LYS A 50 9.069 3.308 0.605 1.00 10.00 N ATOM 0 H LYS A 50 3.025 4.909 0.379 1.00 10.00 H new ATOM 0 HA LYS A 50 5.341 4.141 1.697 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.442 6.582 0.184 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.991 6.611 1.004 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.319 4.245 -0.739 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.755 5.755 -1.513 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.755 4.465 -1.380 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.912 5.744 -0.192 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.469 4.213 1.639 1.00 10.00 H new ATOM 0 HE3 LYS A 50 6.994 2.935 0.539 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.226 2.605 1.355 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.253 2.873 -0.322 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.714 4.112 0.745 1.00 10.00 H new ATOM 722 N THR A 51 3.905 6.630 3.351 1.00 10.00 N ATOM 723 CA THR A 51 3.924 7.295 4.661 1.00 10.00 C ATOM 724 C THR A 51 3.868 6.295 5.816 1.00 10.00 C ATOM 725 O THR A 51 4.697 6.369 6.722 1.00 10.00 O ATOM 726 CB THR A 51 2.842 8.383 4.755 1.00 10.00 C ATOM 727 OG1 THR A 51 3.309 9.496 4.029 1.00 10.00 O ATOM 728 CG2 THR A 51 2.590 8.869 6.185 1.00 10.00 C ATOM 0 H THR A 51 3.197 6.992 2.712 1.00 10.00 H new ATOM 0 HA THR A 51 4.884 7.803 4.756 1.00 10.00 H new ATOM 0 HB THR A 51 1.914 7.957 4.374 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.577 10.136 3.904 1.00 10.00 H new ATOM 0 HG21 THR A 51 1.815 9.636 6.177 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.265 8.031 6.802 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.510 9.287 6.595 1.00 10.00 H new ATOM 736 N CYS A 52 2.963 5.312 5.762 1.00 10.00 N ATOM 737 CA CYS A 52 2.946 4.223 6.740 1.00 10.00 C ATOM 738 C CYS A 52 4.276 3.463 6.742 1.00 10.00 C ATOM 739 O CYS A 52 4.893 3.289 7.789 1.00 10.00 O ATOM 740 CB CYS A 52 1.787 3.302 6.490 1.00 10.00 C ATOM 741 SG CYS A 52 1.679 2.099 7.851 1.00 10.00 S ATOM 0 H CYS A 52 2.234 5.250 5.051 1.00 10.00 H new ATOM 0 HA CYS A 52 2.818 4.658 7.731 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.861 3.873 6.418 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.916 2.784 5.540 1.00 10.00 H new ATOM 0 HG CYS A 52 0.676 1.298 7.644 1.00 10.00 H new ATOM 746 N HIS A 53 4.766 3.062 5.566 1.00 10.00 N ATOM 747 CA HIS A 53 6.052 2.385 5.458 1.00 10.00 C ATOM 748 C HIS A 53 7.247 3.160 6.054 1.00 10.00 C ATOM 749 O HIS A 53 8.275 2.534 6.295 1.00 10.00 O ATOM 750 CB HIS A 53 6.331 2.015 3.996 1.00 10.00 C ATOM 751 CG HIS A 53 5.398 0.994 3.390 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.601 0.351 2.194 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.380 0.336 4.020 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.716 -0.663 2.109 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.946 -0.720 3.203 1.00 10.00 N ATOM 0 H HIS A 53 4.287 3.197 4.676 1.00 10.00 H new ATOM 0 HA HIS A 53 5.961 1.487 6.069 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.285 2.923 3.395 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.351 1.636 3.924 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.975 0.587 4.989 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.639 -1.339 1.270 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.202 -1.389 3.401 1.00 10.00 H new ATOM 763 N LYS A 54 7.166 4.488 6.245 1.00 10.00 N ATOM 764 CA LYS A 54 8.164 5.215 7.025 1.00 10.00 C ATOM 765 C LYS A 54 7.769 5.389 8.500 1.00 10.00 C ATOM 766 O LYS A 54 8.606 5.267 9.391 1.00 10.00 O ATOM 767 CB LYS A 54 8.505 6.557 6.396 1.00 10.00 C ATOM 768 CG LYS A 54 9.090 6.374 5.004 1.00 10.00 C ATOM 769 CD LYS A 54 8.051 6.621 3.921 1.00 10.00 C ATOM 770 CE LYS A 54 8.399 7.755 2.947 1.00 10.00 C ATOM 771 NZ LYS A 54 8.108 9.082 3.534 1.00 10.00 N ATOM 0 H LYS A 54 6.419 5.072 5.868 1.00 10.00 H new ATOM 0 HA LYS A 54 9.059 4.593 7.010 1.00 10.00 H new ATOM 0 HB2 LYS A 54 7.608 7.174 6.339 1.00 10.00 H new ATOM 0 HB3 LYS A 54 9.218 7.088 7.027 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.927 7.059 4.868 1.00 10.00 H new ATOM 0 HG3 LYS A 54 9.485 5.363 4.905 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.913 5.701 3.352 1.00 10.00 H new ATOM 0 HD3 LYS A 54 7.097 6.848 4.397 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.455 7.697 2.681 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.831 7.631 2.025 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 8.354 9.826 2.850 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 7.096 9.145 3.765 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 8.669 9.209 4.401 1.00 10.00 H new ATOM 859 N LYS A 61 13.012 1.381 -0.128 1.00 10.00 N ATOM 860 CA LYS A 61 13.577 0.888 -1.387 1.00 10.00 C ATOM 861 C LYS A 61 12.459 0.462 -2.352 1.00 10.00 C ATOM 862 O LYS A 61 11.411 -0.007 -1.906 1.00 10.00 O ATOM 863 CB LYS A 61 14.550 -0.269 -1.079 1.00 10.00 C ATOM 864 CG LYS A 61 13.812 -1.569 -0.718 1.00 10.00 C ATOM 865 CD LYS A 61 14.583 -2.472 0.256 1.00 10.00 C ATOM 866 CE LYS A 61 13.727 -3.721 0.540 1.00 10.00 C ATOM 867 NZ LYS A 61 14.280 -4.562 1.623 1.00 10.00 N ATOM 0 HA LYS A 61 14.133 1.684 -1.883 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.189 -0.444 -1.945 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.203 0.017 -0.254 1.00 10.00 H new ATOM 0 HG2 LYS A 61 12.847 -1.317 -0.278 1.00 10.00 H new ATOM 0 HG3 LYS A 61 13.610 -2.127 -1.633 1.00 10.00 H new ATOM 0 HD2 LYS A 61 15.543 -2.759 -0.172 1.00 10.00 H new ATOM 0 HD3 LYS A 61 14.794 -1.938 1.182 1.00 10.00 H new ATOM 0 HE2 LYS A 61 12.717 -3.410 0.808 1.00 10.00 H new ATOM 0 HE3 LYS A 61 13.647 -4.315 -0.370 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 13.664 -5.387 1.771 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 15.233 -4.884 1.360 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 14.332 -4.007 2.501 1.00 10.00 H new ATOM 881 N CYS A 62 12.668 0.607 -3.665 1.00 10.00 N ATOM 882 CA CYS A 62 11.692 0.197 -4.683 1.00 10.00 C ATOM 883 C CYS A 62 11.361 -1.294 -4.563 1.00 10.00 C ATOM 884 O CYS A 62 10.193 -1.680 -4.500 1.00 10.00 O ATOM 885 CB CYS A 62 12.194 0.521 -6.072 1.00 10.00 C ATOM 886 SG CYS A 62 12.973 2.161 -6.193 1.00 10.00 S ATOM 0 H CYS A 62 13.520 1.012 -4.053 1.00 10.00 H new ATOM 0 HA CYS A 62 10.775 0.761 -4.510 1.00 10.00 H new ATOM 0 HB2 CYS A 62 12.914 -0.239 -6.377 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.361 0.470 -6.773 1.00 10.00 H new ATOM 0 HG CYS A 62 13.377 2.360 -7.412 1.00 10.00 H new ATOM 891 N GLY A 63 12.414 -2.118 -4.480 1.00 10.00 N ATOM 892 CA GLY A 63 12.364 -3.576 -4.390 1.00 10.00 C ATOM 893 C GLY A 63 11.458 -4.133 -3.285 1.00 10.00 C ATOM 894 O GLY A 63 10.961 -5.247 -3.395 1.00 10.00 O ATOM 0 H GLY A 63 13.370 -1.764 -4.474 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.026 -3.971 -5.348 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.376 -3.949 -4.230 1.00 10.00 H new ATOM 898 N GLY A 64 11.240 -3.369 -2.207 1.00 10.00 N ATOM 899 CA GLY A 64 10.319 -3.769 -1.143 1.00 10.00 C ATOM 900 C GLY A 64 8.870 -3.849 -1.637 1.00 10.00 C ATOM 901 O GLY A 64 8.076 -4.643 -1.141 1.00 10.00 O ATOM 0 H GLY A 64 11.692 -2.468 -2.051 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.621 -4.739 -0.748 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.383 -3.056 -0.321 1.00 10.00 H new ATOM 905 N CYS A 65 8.530 -3.021 -2.629 1.00 10.00 N ATOM 906 CA CYS A 65 7.224 -3.020 -3.276 1.00 10.00 C ATOM 907 C CYS A 65 7.290 -3.741 -4.626 1.00 10.00 C ATOM 908 O CYS A 65 6.582 -4.718 -4.841 1.00 10.00 O ATOM 909 CB CYS A 65 6.755 -1.603 -3.447 1.00 10.00 C ATOM 910 SG CYS A 65 6.145 -0.887 -1.887 1.00 10.00 S ATOM 0 H CYS A 65 9.169 -2.322 -3.008 1.00 10.00 H new ATOM 0 HA CYS A 65 6.511 -3.556 -2.649 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.575 -0.994 -3.828 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.961 -1.572 -4.194 1.00 10.00 H new ATOM 0 HG CYS A 65 5.756 0.336 -2.094 1.00 10.00 H new ATOM 915 N HIS A 66 8.116 -3.249 -5.551 1.00 10.00 N ATOM 916 CA HIS A 66 8.191 -3.793 -6.898 1.00 10.00 C ATOM 917 C HIS A 66 9.042 -5.069 -6.939 1.00 10.00 C ATOM 918 O HIS A 66 10.239 -4.999 -6.668 1.00 10.00 O ATOM 919 CB HIS A 66 8.781 -2.735 -7.836 1.00 10.00 C ATOM 920 CG HIS A 66 7.883 -1.565 -8.055 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.969 -1.479 -9.060 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.859 -0.386 -7.370 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.396 -0.270 -8.998 1.00 10.00 C ATOM 924 NE2 HIS A 66 6.905 0.446 -7.984 1.00 10.00 N ATOM 0 H HIS A 66 8.747 -2.465 -5.384 1.00 10.00 H new ATOM 0 HA HIS A 66 7.185 -4.057 -7.223 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.728 -2.384 -7.425 1.00 10.00 H new ATOM 0 HB3 HIS A 66 9.003 -3.197 -8.798 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.757 -2.208 -9.741 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.464 -0.136 -6.511 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.629 0.081 -9.672 1.00 10.00 H new ATOM 932 N ILE A 67 8.471 -6.204 -7.356 1.00 10.00 N ATOM 933 CA ILE A 67 9.265 -7.412 -7.615 1.00 10.00 C ATOM 934 C ILE A 67 10.440 -7.101 -8.563 1.00 10.00 C ATOM 935 O ILE A 67 10.238 -6.538 -9.639 1.00 10.00 O ATOM 936 CB ILE A 67 8.383 -8.546 -8.169 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.195 -8.897 -7.253 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.225 -9.804 -8.439 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.581 -9.313 -5.830 1.00 10.00 C ATOM 0 H ILE A 67 7.470 -6.313 -7.521 1.00 10.00 H new ATOM 0 HA ILE A 67 9.682 -7.754 -6.668 1.00 10.00 H new ATOM 0 HB ILE A 67 7.964 -8.174 -9.104 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.531 -8.035 -7.197 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.628 -9.707 -7.712 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.584 -10.594 -8.830 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.001 -9.573 -9.168 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.688 -10.138 -7.510 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.680 -9.541 -5.260 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.218 -10.196 -5.869 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.120 -8.498 -5.346 1.00 10.00 H new ATOM 951 N LYS A 68 11.662 -7.444 -8.146 1.00 10.00 N ATOM 952 CA LYS A 68 12.920 -7.097 -8.795 1.00 10.00 C ATOM 953 C LYS A 68 13.990 -8.125 -8.402 1.00 10.00 C ATOM 954 O LYS A 68 15.006 -8.197 -9.132 1.00 10.00 O ATOM 955 CB LYS A 68 13.344 -5.682 -8.353 1.00 10.00 C ATOM 956 CG LYS A 68 12.983 -4.583 -9.367 1.00 10.00 C ATOM 957 CD LYS A 68 14.175 -4.219 -10.269 1.00 10.00 C ATOM 958 CE LYS A 68 14.623 -5.406 -11.135 1.00 10.00 C ATOM 959 NZ LYS A 68 15.872 -5.119 -11.866 1.00 10.00 N ATOM 960 OXT LYS A 68 13.774 -8.806 -7.373 1.00 10.00 O ATOM 0 H LYS A 68 11.803 -8.000 -7.303 1.00 10.00 H new ATOM 0 HA LYS A 68 12.801 -7.108 -9.878 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.871 -5.452 -7.398 1.00 10.00 H new ATOM 0 HB3 LYS A 68 14.421 -5.671 -8.186 1.00 10.00 H new ATOM 0 HG2 LYS A 68 12.150 -4.919 -9.985 1.00 10.00 H new ATOM 0 HG3 LYS A 68 12.647 -3.694 -8.834 1.00 10.00 H new ATOM 0 HD2 LYS A 68 13.901 -3.383 -10.913 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.009 -3.885 -9.651 1.00 10.00 H new ATOM 0 HE2 LYS A 68 14.767 -6.282 -10.502 1.00 10.00 H new ATOM 0 HE3 LYS A 68 13.835 -5.653 -11.847 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 16.138 -5.946 -12.437 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 15.729 -4.299 -12.490 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.631 -4.909 -11.187 1.00 10.00 H new