USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=20 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 51 THR OG1 : rot 173:sc= 2.01 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 161:sc= 0.874 (180deg=-0.367) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -2.19 K(o=-2,f=-3.9!) USER MOD Set 2.2: A 66 HIS : no HE2:sc= 0.162 K(o=-2,f=-7.9!) USER MOD Set 3.1: A 20 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2) USER MOD Set 3.2: A 53 HIS : no HE2:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 4.1: A 17 HIS : no HE2:sc= -0.123 X(o=-0.12,f=-0.0029) USER MOD Set 4.2: A 30 HIS : no HD1:sc=-0.00051 X(o=-0.12,f=-0.12) USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0.934 USER MOD Set 5.2: A 14 THR OG1 : rot -48:sc= 1.09 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.36 K(o=1.4,f=-11!) USER MOD Single : A 12 ASN : amide:sc=-0.00641 X(o=-0.0064,f=-0.25) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.184) 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+ 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 USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00803) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= -0.0772 (180deg=-0.953) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.114 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= 0.861 (180deg=-0.931) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -8.648 -9.318 -1.052 1.00 10.00 N ATOM 14 CA ASP A 2 -7.780 -10.445 -0.701 1.00 10.00 C ATOM 15 C ASP A 2 -6.570 -10.621 -1.653 1.00 10.00 C ATOM 16 O ASP A 2 -6.671 -11.242 -2.706 1.00 10.00 O ATOM 17 CB ASP A 2 -8.626 -11.711 -0.470 1.00 10.00 C ATOM 18 CG ASP A 2 -8.135 -12.541 0.706 1.00 10.00 C ATOM 19 OD1 ASP A 2 -7.072 -13.192 0.608 1.00 10.00 O ATOM 20 OD2 ASP A 2 -8.826 -12.554 1.749 1.00 10.00 O ATOM 0 HA ASP A 2 -7.293 -10.221 0.248 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -9.663 -11.423 -0.298 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -8.611 -12.323 -1.372 1.00 10.00 H new ATOM 25 N VAL A 3 -5.421 -10.044 -1.271 1.00 10.00 N ATOM 26 CA VAL A 3 -4.137 -10.110 -1.979 1.00 10.00 C ATOM 27 C VAL A 3 -4.257 -9.741 -3.473 1.00 10.00 C ATOM 28 O VAL A 3 -4.208 -10.590 -4.360 1.00 10.00 O ATOM 29 CB VAL A 3 -3.460 -11.467 -1.711 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.034 -11.510 -2.280 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.359 -11.746 -0.205 1.00 10.00 C ATOM 0 H VAL A 3 -5.361 -9.491 -0.416 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.477 -9.341 -1.578 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.081 -12.218 -2.200 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.588 -12.483 -2.072 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.067 -11.349 -3.358 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.433 -10.728 -1.815 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.877 -12.711 -0.045 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.770 -10.963 0.271 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.358 -11.763 0.230 1.00 10.00 H new ATOM 41 N VAL A 4 -4.402 -8.442 -3.753 1.00 10.00 N ATOM 42 CA VAL A 4 -4.668 -7.916 -5.090 1.00 10.00 C ATOM 43 C VAL A 4 -3.361 -7.502 -5.791 1.00 10.00 C ATOM 44 O VAL A 4 -2.780 -6.457 -5.497 1.00 10.00 O ATOM 45 CB VAL A 4 -5.690 -6.766 -4.998 1.00 10.00 C ATOM 46 CG1 VAL A 4 -6.044 -6.234 -6.393 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.980 -7.230 -4.305 1.00 10.00 C ATOM 0 H VAL A 4 -4.336 -7.715 -3.041 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.107 -8.698 -5.710 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.229 -5.971 -4.412 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.767 -5.423 -6.301 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.143 -5.863 -6.880 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.475 -7.038 -6.990 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.684 -6.400 -4.253 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.424 -8.047 -4.873 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.748 -7.573 -3.297 1.00 10.00 H new ATOM 57 N THR A 5 -2.890 -8.330 -6.728 1.00 10.00 N ATOM 58 CA THR A 5 -1.679 -8.079 -7.515 1.00 10.00 C ATOM 59 C THR A 5 -1.890 -7.047 -8.632 1.00 10.00 C ATOM 60 O THR A 5 -2.618 -7.292 -9.588 1.00 10.00 O ATOM 61 CB THR A 5 -1.075 -9.413 -7.994 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.202 -9.881 -6.989 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.246 -9.320 -9.273 1.00 10.00 C ATOM 0 H THR A 5 -3.348 -9.210 -6.965 1.00 10.00 H new ATOM 0 HA THR A 5 -0.940 -7.607 -6.867 1.00 10.00 H new ATOM 0 HB THR A 5 -1.922 -10.068 -8.198 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.195 -10.732 -7.271 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.137 -10.307 -9.531 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.871 -8.950 -10.086 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.589 -8.637 -9.117 1.00 10.00 H new ATOM 71 N TYR A 6 -1.212 -5.898 -8.506 1.00 10.00 N ATOM 72 CA TYR A 6 -1.049 -4.907 -9.565 1.00 10.00 C ATOM 73 C TYR A 6 0.264 -5.148 -10.318 1.00 10.00 C ATOM 74 O TYR A 6 1.322 -5.154 -9.689 1.00 10.00 O ATOM 75 CB TYR A 6 -1.001 -3.499 -8.971 1.00 10.00 C ATOM 76 CG TYR A 6 -2.334 -2.819 -8.750 1.00 10.00 C ATOM 77 CD1 TYR A 6 -3.324 -3.424 -7.955 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.523 -1.509 -9.225 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.495 -2.713 -7.628 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.667 -0.787 -8.858 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.670 -1.396 -8.091 1.00 10.00 C ATOM 82 OH TYR A 6 -5.720 -0.639 -7.674 1.00 10.00 O ATOM 0 H TYR A 6 -0.750 -5.630 -7.637 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.896 -4.999 -10.245 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.480 -3.549 -8.015 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.401 -2.870 -9.629 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -3.186 -4.433 -7.596 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.786 -1.059 -9.873 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.258 -3.179 -7.022 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.776 0.242 -9.167 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.676 0.243 -8.098 1.00 10.00 H new ATOM 92 N GLU A 7 0.172 -5.337 -11.638 1.00 10.00 N ATOM 93 CA GLU A 7 1.266 -5.672 -12.546 1.00 10.00 C ATOM 94 C GLU A 7 1.554 -4.541 -13.552 1.00 10.00 C ATOM 95 O GLU A 7 0.822 -4.381 -14.526 1.00 10.00 O ATOM 96 CB GLU A 7 0.900 -6.977 -13.271 1.00 10.00 C ATOM 97 CG GLU A 7 0.413 -8.059 -12.305 1.00 10.00 C ATOM 98 CD GLU A 7 0.292 -9.425 -12.964 1.00 10.00 C ATOM 99 OE1 GLU A 7 1.363 -10.021 -13.207 1.00 10.00 O ATOM 100 OE2 GLU A 7 -0.860 -9.846 -13.195 1.00 10.00 O ATOM 0 H GLU A 7 -0.720 -5.255 -12.126 1.00 10.00 H new ATOM 0 HA GLU A 7 2.182 -5.803 -11.970 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.123 -6.775 -14.009 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.770 -7.344 -13.816 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.103 -8.126 -11.464 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.556 -7.769 -11.900 1.00 10.00 H new ATOM 107 N ASN A 8 2.641 -3.785 -13.344 1.00 10.00 N ATOM 108 CA ASN A 8 3.023 -2.655 -14.195 1.00 10.00 C ATOM 109 C ASN A 8 4.034 -3.049 -15.293 1.00 10.00 C ATOM 110 O ASN A 8 3.657 -3.308 -16.432 1.00 10.00 O ATOM 111 CB ASN A 8 3.510 -1.475 -13.328 1.00 10.00 C ATOM 112 CG ASN A 8 4.458 -1.893 -12.203 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.671 -1.955 -12.394 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.929 -2.263 -11.049 1.00 10.00 N ATOM 0 H ASN A 8 3.286 -3.945 -12.570 1.00 10.00 H new ATOM 0 HA ASN A 8 2.135 -2.327 -14.735 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.014 -0.750 -13.966 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.645 -0.972 -12.895 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.530 -2.607 -10.300 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.920 -2.205 -10.908 1.00 10.00 H new ATOM 121 N ALA A 9 5.326 -3.036 -14.955 1.00 10.00 N ATOM 122 CA ALA A 9 6.460 -3.065 -15.876 1.00 10.00 C ATOM 123 C ALA A 9 7.785 -3.081 -15.097 1.00 10.00 C ATOM 124 O ALA A 9 8.678 -3.869 -15.394 1.00 10.00 O ATOM 125 CB ALA A 9 6.404 -1.826 -16.774 1.00 10.00 C ATOM 0 H ALA A 9 5.622 -3.003 -13.980 1.00 10.00 H new ATOM 0 HA ALA A 9 6.406 -3.968 -16.484 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.247 -1.839 -17.465 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.472 -1.828 -17.339 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.453 -0.928 -16.158 1.00 10.00 H new ATOM 131 N ALA A 10 7.905 -2.219 -14.077 1.00 10.00 N ATOM 132 CA ALA A 10 9.059 -2.185 -13.179 1.00 10.00 C ATOM 133 C ALA A 10 9.068 -3.401 -12.240 1.00 10.00 C ATOM 134 O ALA A 10 10.129 -3.922 -11.903 1.00 10.00 O ATOM 135 CB ALA A 10 9.044 -0.870 -12.389 1.00 10.00 C ATOM 0 H ALA A 10 7.195 -1.521 -13.854 1.00 10.00 H new ATOM 0 HA ALA A 10 9.974 -2.234 -13.770 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.902 -0.839 -11.718 1.00 10.00 H new ATOM 0 HB2 ALA A 10 9.094 -0.029 -13.081 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.125 -0.806 -11.806 1.00 10.00 H new ATOM 141 N GLY A 11 7.874 -3.831 -11.814 1.00 10.00 N ATOM 142 CA GLY A 11 7.665 -4.977 -10.932 1.00 10.00 C ATOM 143 C GLY A 11 6.229 -4.995 -10.423 1.00 10.00 C ATOM 144 O GLY A 11 5.733 -3.958 -9.989 1.00 10.00 O ATOM 0 H GLY A 11 7.003 -3.375 -12.084 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.880 -5.901 -11.468 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.356 -4.928 -10.091 1.00 10.00 H new ATOM 148 N ASN A 12 5.527 -6.129 -10.439 1.00 10.00 N ATOM 149 CA ASN A 12 4.218 -6.139 -9.787 1.00 10.00 C ATOM 150 C ASN A 12 4.363 -5.919 -8.273 1.00 10.00 C ATOM 151 O ASN A 12 5.433 -6.181 -7.723 1.00 10.00 O ATOM 152 CB ASN A 12 3.408 -7.385 -10.137 1.00 10.00 C ATOM 153 CG ASN A 12 4.032 -8.668 -9.625 1.00 10.00 C ATOM 154 OD1 ASN A 12 4.003 -8.963 -8.439 1.00 10.00 O ATOM 155 ND2 ASN A 12 4.599 -9.458 -10.523 1.00 10.00 N ATOM 0 H ASN A 12 5.820 -7.006 -10.870 1.00 10.00 H new ATOM 0 HA ASN A 12 3.641 -5.301 -10.177 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.405 -7.286 -9.722 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.301 -7.448 -11.220 1.00 10.00 H new ATOM 0 HD21 ASN A 12 5.026 -10.337 -10.232 1.00 10.00 H new ATOM 0 HD22 ASN A 12 4.609 -9.187 -11.506 1.00 10.00 H new ATOM 162 N VAL A 13 3.332 -5.361 -7.632 1.00 10.00 N ATOM 163 CA VAL A 13 3.455 -4.817 -6.271 1.00 10.00 C ATOM 164 C VAL A 13 2.679 -5.549 -5.160 1.00 10.00 C ATOM 165 O VAL A 13 3.136 -5.561 -4.021 1.00 10.00 O ATOM 166 CB VAL A 13 3.219 -3.301 -6.289 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.901 -2.946 -6.964 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.199 -2.702 -4.881 1.00 10.00 C ATOM 0 H VAL A 13 2.398 -5.273 -8.033 1.00 10.00 H new ATOM 0 HA VAL A 13 4.484 -5.015 -5.971 1.00 10.00 H new ATOM 0 HB VAL A 13 4.054 -2.882 -6.852 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.769 -1.864 -6.958 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.911 -3.304 -7.993 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.078 -3.415 -6.425 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.029 -1.627 -4.945 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.399 -3.162 -4.301 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.155 -2.890 -4.392 1.00 10.00 H new ATOM 178 N THR A 14 1.517 -6.144 -5.452 1.00 10.00 N ATOM 179 CA THR A 14 0.727 -6.914 -4.484 1.00 10.00 C ATOM 180 C THR A 14 0.195 -6.076 -3.316 1.00 10.00 C ATOM 181 O THR A 14 0.844 -5.893 -2.291 1.00 10.00 O ATOM 182 CB THR A 14 1.474 -8.185 -4.054 1.00 10.00 C ATOM 183 OG1 THR A 14 1.585 -9.039 -5.176 1.00 10.00 O ATOM 184 CG2 THR A 14 0.737 -8.971 -2.967 1.00 10.00 C ATOM 0 H THR A 14 1.093 -6.104 -6.379 1.00 10.00 H new ATOM 0 HA THR A 14 -0.179 -7.240 -4.995 1.00 10.00 H new ATOM 0 HB THR A 14 2.440 -7.870 -3.660 1.00 10.00 H new ATOM 0 HG1 THR A 14 0.711 -9.122 -5.612 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.314 -9.858 -2.705 1.00 10.00 H new ATOM 0 HG22 THR A 14 0.615 -8.344 -2.084 1.00 10.00 H new ATOM 0 HG23 THR A 14 -0.243 -9.272 -3.337 1.00 10.00 H new ATOM 192 N PHE A 15 -1.043 -5.599 -3.466 1.00 10.00 N ATOM 193 CA PHE A 15 -1.801 -4.978 -2.383 1.00 10.00 C ATOM 194 C PHE A 15 -2.339 -6.084 -1.469 1.00 10.00 C ATOM 195 O PHE A 15 -3.301 -6.779 -1.808 1.00 10.00 O ATOM 196 CB PHE A 15 -2.969 -4.160 -2.946 1.00 10.00 C ATOM 197 CG PHE A 15 -2.665 -2.907 -3.743 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.406 -2.684 -4.336 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.742 -2.063 -4.069 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.266 -1.717 -5.343 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.583 -1.054 -5.032 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.362 -0.925 -5.711 1.00 10.00 C ATOM 0 H PHE A 15 -1.549 -5.634 -4.351 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.151 -4.307 -1.822 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.559 -4.821 -3.582 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.605 -3.872 -2.109 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.549 -3.258 -4.015 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.695 -2.192 -3.577 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.314 -1.583 -5.834 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.398 -0.379 -5.249 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.267 -0.214 -6.519 1.00 10.00 H new ATOM 212 N ASP A 16 -1.737 -6.245 -0.296 1.00 10.00 N ATOM 213 CA ASP A 16 -1.945 -7.340 0.633 1.00 10.00 C ATOM 214 C ASP A 16 -3.200 -7.083 1.482 1.00 10.00 C ATOM 215 O ASP A 16 -3.164 -7.083 2.710 1.00 10.00 O ATOM 216 CB ASP A 16 -0.642 -7.611 1.428 1.00 10.00 C ATOM 217 CG ASP A 16 0.417 -6.509 1.500 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.091 -5.326 1.248 1.00 10.00 O ATOM 219 OD2 ASP A 16 1.546 -6.875 1.882 1.00 10.00 O ATOM 0 H ASP A 16 -1.051 -5.573 0.048 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.153 -8.270 0.104 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.925 -7.865 2.450 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -0.171 -8.495 0.999 1.00 10.00 H new ATOM 224 N HIS A 17 -4.334 -6.893 0.794 1.00 10.00 N ATOM 225 CA HIS A 17 -5.608 -6.418 1.335 1.00 10.00 C ATOM 226 C HIS A 17 -5.952 -7.102 2.663 1.00 10.00 C ATOM 227 O HIS A 17 -6.295 -6.460 3.652 1.00 10.00 O ATOM 228 CB HIS A 17 -6.711 -6.673 0.288 1.00 10.00 C ATOM 229 CG HIS A 17 -7.687 -5.541 0.112 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.171 -5.095 -1.092 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.081 -4.642 1.068 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.823 -3.949 -0.860 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.776 -3.599 0.439 1.00 10.00 N ATOM 0 H HIS A 17 -4.387 -7.077 -0.208 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.529 -5.351 1.543 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.240 -6.881 -0.673 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.263 -7.569 0.573 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.055 -5.552 -1.996 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -7.889 -4.723 2.128 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.326 -3.374 -1.623 1.00 10.00 H new ATOM 241 N LYS A 18 -5.818 -8.427 2.642 1.00 10.00 N ATOM 242 CA LYS A 18 -5.988 -9.340 3.752 1.00 10.00 C ATOM 243 C LYS A 18 -4.855 -9.196 4.780 1.00 10.00 C ATOM 244 O LYS A 18 -5.078 -8.705 5.882 1.00 10.00 O ATOM 245 CB LYS A 18 -6.012 -10.739 3.133 1.00 10.00 C ATOM 246 CG LYS A 18 -6.441 -11.827 4.120 1.00 10.00 C ATOM 247 CD LYS A 18 -5.669 -13.124 3.827 1.00 10.00 C ATOM 248 CE LYS A 18 -6.554 -14.358 3.985 1.00 10.00 C ATOM 249 NZ LYS A 18 -7.497 -14.454 2.851 1.00 10.00 N ATOM 0 H LYS A 18 -5.570 -8.918 1.783 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.906 -9.132 4.302 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.692 -10.741 2.282 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.020 -10.976 2.749 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.249 -11.501 5.142 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.513 -12.004 4.038 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.271 -13.089 2.813 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -4.816 -13.200 4.501 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -5.936 -15.255 4.032 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.106 -14.302 4.923 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -7.963 -15.383 2.865 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -8.214 -13.705 2.932 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -6.978 -14.341 1.957 1.00 10.00 H new ATOM 263 N ALA A 19 -3.638 -9.627 4.432 1.00 10.00 N ATOM 264 CA ALA A 19 -2.519 -9.754 5.362 1.00 10.00 C ATOM 265 C ALA A 19 -2.198 -8.440 6.081 1.00 10.00 C ATOM 266 O ALA A 19 -1.981 -8.430 7.292 1.00 10.00 O ATOM 267 CB ALA A 19 -1.299 -10.283 4.610 1.00 10.00 C ATOM 0 H ALA A 19 -3.402 -9.901 3.478 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.805 -10.461 6.141 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.460 -10.380 5.300 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.531 -11.258 4.181 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.034 -9.589 3.812 1.00 10.00 H new ATOM 273 N HIS A 20 -2.207 -7.318 5.352 1.00 10.00 N ATOM 274 CA HIS A 20 -2.147 -6.007 5.981 1.00 10.00 C ATOM 275 C HIS A 20 -3.293 -5.832 6.983 1.00 10.00 C ATOM 276 O HIS A 20 -3.037 -5.553 8.151 1.00 10.00 O ATOM 277 CB HIS A 20 -2.118 -4.889 4.927 1.00 10.00 C ATOM 278 CG HIS A 20 -0.722 -4.542 4.481 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.292 -5.446 4.297 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.200 -3.289 4.280 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.394 -4.751 3.984 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.157 -3.428 3.956 1.00 10.00 N ATOM 0 H HIS A 20 -2.255 -7.298 4.333 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.215 -5.935 6.542 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.705 -5.197 4.062 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.596 -3.998 5.336 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.741 -2.357 4.358 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.355 -5.199 3.779 1.00 10.00 H new ATOM 0 HE2 HIS A 20 1.822 -2.684 3.744 1.00 10.00 H new ATOM 290 N ALA A 21 -4.547 -6.025 6.562 1.00 10.00 N ATOM 291 CA ALA A 21 -5.699 -5.886 7.450 1.00 10.00 C ATOM 292 C ALA A 21 -5.609 -6.739 8.723 1.00 10.00 C ATOM 293 O ALA A 21 -5.935 -6.255 9.804 1.00 10.00 O ATOM 294 CB ALA A 21 -7.001 -6.156 6.699 1.00 10.00 C ATOM 0 H ALA A 21 -4.788 -6.280 5.604 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.692 -4.850 7.788 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.844 -6.046 7.381 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.103 -5.445 5.879 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.987 -7.170 6.300 1.00 10.00 H new ATOM 300 N GLU A 22 -5.151 -7.989 8.610 1.00 10.00 N ATOM 301 CA GLU A 22 -4.987 -8.890 9.749 1.00 10.00 C ATOM 302 C GLU A 22 -4.097 -8.309 10.870 1.00 10.00 C ATOM 303 O GLU A 22 -4.305 -8.631 12.038 1.00 10.00 O ATOM 304 CB GLU A 22 -4.505 -10.267 9.263 1.00 10.00 C ATOM 305 CG GLU A 22 -5.558 -10.979 8.401 1.00 10.00 C ATOM 306 CD GLU A 22 -5.249 -12.451 8.149 1.00 10.00 C ATOM 307 OE1 GLU A 22 -5.104 -13.182 9.151 1.00 10.00 O ATOM 308 OE2 GLU A 22 -5.190 -12.822 6.957 1.00 10.00 O ATOM 0 H GLU A 22 -4.882 -8.405 7.718 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.965 -9.012 10.214 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.588 -10.146 8.687 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.261 -10.889 10.124 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.529 -10.899 8.889 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.639 -10.465 7.443 1.00 10.00 H new ATOM 315 N LYS A 23 -3.133 -7.436 10.543 1.00 10.00 N ATOM 316 CA LYS A 23 -2.352 -6.687 11.523 1.00 10.00 C ATOM 317 C LYS A 23 -2.968 -5.310 11.808 1.00 10.00 C ATOM 318 O LYS A 23 -3.048 -4.880 12.955 1.00 10.00 O ATOM 319 CB LYS A 23 -0.924 -6.559 10.977 1.00 10.00 C ATOM 320 CG LYS A 23 -0.121 -5.487 11.714 1.00 10.00 C ATOM 321 CD LYS A 23 1.384 -5.594 11.433 1.00 10.00 C ATOM 322 CE LYS A 23 2.062 -6.613 12.359 1.00 10.00 C ATOM 323 NZ LYS A 23 3.505 -6.703 12.059 1.00 10.00 N ATOM 0 H LYS A 23 -2.875 -7.232 9.577 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.346 -7.216 12.476 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.415 -7.519 11.066 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.963 -6.316 9.915 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.475 -4.500 11.415 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.296 -5.577 12.786 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.541 -5.885 10.394 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.849 -4.617 11.564 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.918 -6.320 13.399 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.597 -7.591 12.236 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.949 -7.397 12.694 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.636 -7.004 11.072 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.947 -5.772 12.199 1.00 10.00 H new ATOM 337 N LEU A 24 -3.303 -4.588 10.741 1.00 10.00 N ATOM 338 CA LEU A 24 -3.671 -3.181 10.741 1.00 10.00 C ATOM 339 C LEU A 24 -5.167 -2.995 11.036 1.00 10.00 C ATOM 340 O LEU A 24 -5.549 -2.646 12.150 1.00 10.00 O ATOM 341 CB LEU A 24 -3.236 -2.585 9.394 1.00 10.00 C ATOM 342 CG LEU A 24 -1.721 -2.641 9.138 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.459 -2.163 7.710 1.00 10.00 C ATOM 344 CD2 LEU A 24 -0.932 -1.754 10.109 1.00 10.00 C ATOM 0 H LEU A 24 -3.325 -4.994 9.805 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.160 -2.646 11.541 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.748 -3.117 8.592 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.563 -1.546 9.347 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.389 -3.669 9.287 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.389 -2.195 7.506 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -1.981 -2.812 7.007 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.820 -1.141 7.596 1.00 10.00 H new ATOM 0 HD21 LEU A 24 0.133 -1.829 9.887 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.254 -0.718 9.999 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.113 -2.084 11.132 1.00 10.00 H new ATOM 356 N GLY A 25 -6.014 -3.199 10.028 1.00 10.00 N ATOM 357 CA GLY A 25 -7.455 -3.128 10.083 1.00 10.00 C ATOM 358 C GLY A 25 -7.939 -2.761 8.683 1.00 10.00 C ATOM 359 O GLY A 25 -7.212 -2.903 7.699 1.00 10.00 O ATOM 0 H GLY A 25 -5.679 -3.433 9.094 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -7.876 -4.083 10.398 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.777 -2.382 10.810 1.00 10.00 H new ATOM 363 N CYS A 26 -9.143 -2.220 8.611 1.00 10.00 N ATOM 364 CA CYS A 26 -9.670 -1.552 7.421 1.00 10.00 C ATOM 365 C CYS A 26 -9.459 -0.052 7.573 1.00 10.00 C ATOM 366 O CYS A 26 -8.844 0.584 6.722 1.00 10.00 O ATOM 367 CB CYS A 26 -11.125 -1.876 7.198 1.00 10.00 C ATOM 368 SG CYS A 26 -11.484 -3.656 7.331 1.00 10.00 S ATOM 0 H CYS A 26 -9.800 -2.230 9.392 1.00 10.00 H new ATOM 0 HA CYS A 26 -9.135 -1.912 6.543 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.728 -1.334 7.926 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.423 -1.523 6.211 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.752 -3.859 7.130 1.00 10.00 H new ATOM 373 N ASP A 27 -9.920 0.484 8.704 1.00 10.00 N ATOM 374 CA ASP A 27 -9.761 1.848 9.191 1.00 10.00 C ATOM 375 C ASP A 27 -8.338 2.350 8.914 1.00 10.00 C ATOM 376 O ASP A 27 -8.128 3.386 8.288 1.00 10.00 O ATOM 377 CB ASP A 27 -10.078 1.841 10.700 1.00 10.00 C ATOM 378 CG ASP A 27 -11.324 1.039 11.052 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.244 -0.199 10.869 1.00 10.00 O ATOM 380 OD2 ASP A 27 -12.315 1.668 11.473 1.00 10.00 O ATOM 0 H ASP A 27 -10.462 -0.079 9.359 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.440 2.528 8.677 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.226 1.430 11.241 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -10.207 2.868 11.041 1.00 10.00 H new ATOM 385 N ALA A 28 -7.368 1.523 9.313 1.00 10.00 N ATOM 386 CA ALA A 28 -5.934 1.662 9.095 1.00 10.00 C ATOM 387 C ALA A 28 -5.520 2.091 7.670 1.00 10.00 C ATOM 388 O ALA A 28 -4.465 2.702 7.505 1.00 10.00 O ATOM 389 CB ALA A 28 -5.293 0.325 9.476 1.00 10.00 C ATOM 0 H ALA A 28 -7.586 0.675 9.837 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.580 2.484 9.718 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -4.215 0.383 9.328 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.504 0.105 10.523 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.703 -0.467 8.849 1.00 10.00 H new ATOM 395 N CYS A 29 -6.324 1.773 6.647 1.00 10.00 N ATOM 396 CA CYS A 29 -6.126 2.187 5.256 1.00 10.00 C ATOM 397 C CYS A 29 -7.305 3.015 4.711 1.00 10.00 C ATOM 398 O CYS A 29 -7.257 3.481 3.575 1.00 10.00 O ATOM 399 CB CYS A 29 -5.975 0.957 4.402 1.00 10.00 C ATOM 400 SG CYS A 29 -4.328 0.176 4.524 1.00 10.00 S ATOM 0 H CYS A 29 -7.159 1.200 6.772 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.235 2.813 5.224 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.734 0.230 4.690 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.166 1.222 3.362 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.288 -0.875 3.759 1.00 10.00 H new ATOM 405 N HIS A 30 -8.387 3.162 5.477 1.00 10.00 N ATOM 406 CA HIS A 30 -9.667 3.643 4.991 1.00 10.00 C ATOM 407 C HIS A 30 -10.335 4.562 6.021 1.00 10.00 C ATOM 408 O HIS A 30 -11.106 4.100 6.862 1.00 10.00 O ATOM 409 CB HIS A 30 -10.543 2.425 4.665 1.00 10.00 C ATOM 410 CG HIS A 30 -10.160 1.633 3.447 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.272 2.070 2.155 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.888 0.295 3.394 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.032 1.022 1.342 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.795 -0.095 2.045 1.00 10.00 N ATOM 0 H HIS A 30 -8.391 2.943 6.473 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.526 4.239 4.090 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.531 1.756 5.525 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.571 2.767 4.541 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.765 -0.356 4.247 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.031 1.075 0.263 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.591 -1.026 1.681 1.00 10.00 H new ATOM 422 N GLU A 31 -10.081 5.869 5.916 1.00 10.00 N ATOM 423 CA GLU A 31 -10.538 6.863 6.876 1.00 10.00 C ATOM 424 C GLU A 31 -12.061 7.112 6.833 1.00 10.00 C ATOM 425 O GLU A 31 -12.515 8.181 6.431 1.00 10.00 O ATOM 426 CB GLU A 31 -9.746 8.159 6.656 1.00 10.00 C ATOM 427 CG GLU A 31 -8.241 7.984 6.918 1.00 10.00 C ATOM 428 CD GLU A 31 -7.463 9.281 6.730 1.00 10.00 C ATOM 429 OE1 GLU A 31 -7.953 10.317 7.227 1.00 10.00 O ATOM 430 OE2 GLU A 31 -6.391 9.205 6.093 1.00 10.00 O ATOM 0 H GLU A 31 -9.543 6.267 5.147 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.350 6.474 7.877 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -9.895 8.502 5.632 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.138 8.936 7.313 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.092 7.618 7.934 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.844 7.225 6.245 1.00 10.00 H new ATOM 437 N GLY A 32 -12.852 6.130 7.277 1.00 10.00 N ATOM 438 CA GLY A 32 -14.310 6.201 7.299 1.00 10.00 C ATOM 439 C GLY A 32 -14.921 5.746 5.968 1.00 10.00 C ATOM 440 O GLY A 32 -14.785 6.428 4.957 1.00 10.00 O ATOM 0 H GLY A 32 -12.486 5.249 7.637 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.692 5.577 8.107 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.621 7.224 7.511 1.00 10.00 H new ATOM 444 N THR A 33 -15.594 4.587 5.975 1.00 10.00 N ATOM 445 CA THR A 33 -16.255 3.977 4.814 1.00 10.00 C ATOM 446 C THR A 33 -15.244 3.457 3.778 1.00 10.00 C ATOM 447 O THR A 33 -14.696 4.241 3.004 1.00 10.00 O ATOM 448 CB THR A 33 -17.291 4.920 4.176 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.244 5.269 5.157 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.055 4.234 3.039 1.00 10.00 C ATOM 0 H THR A 33 -15.697 4.028 6.822 1.00 10.00 H new ATOM 0 HA THR A 33 -16.801 3.110 5.188 1.00 10.00 H new ATOM 0 HB THR A 33 -16.757 5.786 3.785 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.911 5.872 4.766 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.777 4.931 2.613 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.353 3.921 2.266 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.579 3.361 3.428 1.00 10.00 H new ATOM 458 N PRO A 34 -14.979 2.141 3.721 1.00 10.00 N ATOM 459 CA PRO A 34 -14.013 1.594 2.783 1.00 10.00 C ATOM 460 C PRO A 34 -14.522 1.714 1.342 1.00 10.00 C ATOM 461 O PRO A 34 -15.703 1.512 1.068 1.00 10.00 O ATOM 462 CB PRO A 34 -13.821 0.141 3.207 1.00 10.00 C ATOM 463 CG PRO A 34 -15.186 -0.221 3.791 1.00 10.00 C ATOM 464 CD PRO A 34 -15.608 1.072 4.482 1.00 10.00 C ATOM 0 HA PRO A 34 -13.067 2.135 2.801 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.560 -0.496 2.362 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.024 0.036 3.944 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.893 -0.515 3.015 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.119 -1.052 4.493 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.693 1.179 4.486 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.282 1.086 5.522 1.00 10.00 H new ATOM 472 N ALA A 35 -13.620 2.055 0.420 1.00 10.00 N ATOM 473 CA ALA A 35 -13.935 2.325 -0.977 1.00 10.00 C ATOM 474 C ALA A 35 -12.668 2.205 -1.831 1.00 10.00 C ATOM 475 O ALA A 35 -11.569 2.036 -1.302 1.00 10.00 O ATOM 476 CB ALA A 35 -14.561 3.721 -1.090 1.00 10.00 C ATOM 0 H ALA A 35 -12.627 2.152 0.633 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.653 1.594 -1.348 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.799 3.930 -2.133 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.473 3.760 -0.495 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.856 4.467 -0.723 1.00 10.00 H new ATOM 482 N LYS A 36 -12.809 2.283 -3.156 1.00 10.00 N ATOM 483 CA LYS A 36 -11.678 2.116 -4.060 1.00 10.00 C ATOM 484 C LYS A 36 -10.787 3.366 -4.101 1.00 10.00 C ATOM 485 O LYS A 36 -11.020 4.290 -4.878 1.00 10.00 O ATOM 486 CB LYS A 36 -12.143 1.748 -5.467 1.00 10.00 C ATOM 487 CG LYS A 36 -12.980 0.462 -5.526 1.00 10.00 C ATOM 488 CD LYS A 36 -13.758 0.369 -6.847 1.00 10.00 C ATOM 489 CE LYS A 36 -15.014 1.256 -6.821 1.00 10.00 C ATOM 490 NZ LYS A 36 -15.729 1.221 -8.114 1.00 10.00 N ATOM 0 H LYS A 36 -13.698 2.461 -3.623 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.080 1.294 -3.668 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -12.730 2.572 -5.873 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -11.270 1.632 -6.110 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -12.328 -0.405 -5.423 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.676 0.439 -4.688 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -13.114 0.672 -7.673 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -14.045 -0.666 -7.030 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -15.681 0.921 -6.026 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -14.731 2.283 -6.588 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -16.571 1.830 -8.062 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -15.100 1.564 -8.868 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -16.020 0.245 -8.323 1.00 10.00 H new ATOM 504 N ILE A 37 -9.749 3.383 -3.270 1.00 10.00 N ATOM 505 CA ILE A 37 -8.708 4.410 -3.307 1.00 10.00 C ATOM 506 C ILE A 37 -7.904 4.267 -4.611 1.00 10.00 C ATOM 507 O ILE A 37 -7.488 3.165 -4.959 1.00 10.00 O ATOM 508 CB ILE A 37 -7.807 4.286 -2.062 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.637 4.459 -0.773 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.687 5.339 -2.108 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.868 4.061 0.491 1.00 10.00 C ATOM 0 H ILE A 37 -9.604 2.680 -2.546 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.156 5.403 -3.290 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.360 3.292 -2.060 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.953 5.499 -0.687 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.542 3.856 -0.846 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.058 5.240 -1.223 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.082 5.188 -3.002 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.126 6.336 -2.132 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.504 4.205 1.364 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.575 3.013 0.424 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.977 4.682 0.585 1.00 10.00 H new ATOM 523 N ALA A 38 -7.678 5.363 -5.344 1.00 10.00 N ATOM 524 CA ALA A 38 -6.933 5.320 -6.602 1.00 10.00 C ATOM 525 C ALA A 38 -5.413 5.296 -6.382 1.00 10.00 C ATOM 526 O ALA A 38 -4.814 6.285 -5.961 1.00 10.00 O ATOM 527 CB ALA A 38 -7.332 6.490 -7.493 1.00 10.00 C ATOM 0 H ALA A 38 -8.003 6.294 -5.084 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.194 4.387 -7.102 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.770 6.445 -8.426 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.399 6.435 -7.709 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.113 7.428 -6.982 1.00 10.00 H new ATOM 533 N ILE A 39 -4.794 4.158 -6.691 1.00 10.00 N ATOM 534 CA ILE A 39 -3.379 3.882 -6.456 1.00 10.00 C ATOM 535 C ILE A 39 -2.572 3.866 -7.763 1.00 10.00 C ATOM 536 O ILE A 39 -2.927 3.155 -8.697 1.00 10.00 O ATOM 537 CB ILE A 39 -3.263 2.545 -5.712 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.064 2.540 -4.398 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.791 2.227 -5.442 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.618 3.582 -3.366 1.00 10.00 C ATOM 0 H ILE A 39 -5.282 3.376 -7.127 1.00 10.00 H new ATOM 0 HA ILE A 39 -2.955 4.681 -5.848 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.691 1.772 -6.350 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.116 2.707 -4.630 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.990 1.550 -3.948 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.715 1.277 -4.914 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.254 2.160 -6.388 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.354 3.017 -4.832 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.241 3.501 -2.475 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.576 3.406 -3.098 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.719 4.581 -3.790 1.00 10.00 H new ATOM 552 N ASP A 40 -1.484 4.650 -7.803 1.00 10.00 N ATOM 553 CA ASP A 40 -0.656 4.912 -8.980 1.00 10.00 C ATOM 554 C ASP A 40 0.572 5.759 -8.571 1.00 10.00 C ATOM 555 O ASP A 40 0.725 6.142 -7.399 1.00 10.00 O ATOM 556 CB ASP A 40 -1.560 5.613 -10.020 1.00 10.00 C ATOM 557 CG ASP A 40 -0.885 6.088 -11.296 1.00 10.00 C ATOM 558 OD1 ASP A 40 0.070 5.406 -11.722 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.281 7.174 -11.763 1.00 10.00 O ATOM 0 H ASP A 40 -1.146 5.139 -6.975 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.259 3.998 -9.421 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.361 4.926 -10.293 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.027 6.473 -9.541 1.00 10.00 H new ATOM 564 N LYS A 41 1.422 6.085 -9.549 1.00 10.00 N ATOM 565 CA LYS A 41 2.556 7.006 -9.514 1.00 10.00 C ATOM 566 C LYS A 41 2.138 8.466 -9.271 1.00 10.00 C ATOM 567 O LYS A 41 2.449 9.371 -10.041 1.00 10.00 O ATOM 568 CB LYS A 41 3.372 6.834 -10.797 1.00 10.00 C ATOM 569 CG LYS A 41 4.785 7.424 -10.650 1.00 10.00 C ATOM 570 CD LYS A 41 5.417 7.743 -12.012 1.00 10.00 C ATOM 571 CE LYS A 41 5.474 6.487 -12.888 1.00 10.00 C ATOM 572 NZ LYS A 41 6.119 6.724 -14.194 1.00 10.00 N ATOM 0 H LYS A 41 1.321 5.668 -10.475 1.00 10.00 H new ATOM 0 HA LYS A 41 3.182 6.755 -8.658 1.00 10.00 H new ATOM 0 HB2 LYS A 41 3.443 5.775 -11.045 1.00 10.00 H new ATOM 0 HB3 LYS A 41 2.857 7.322 -11.625 1.00 10.00 H new ATOM 0 HG2 LYS A 41 4.738 8.333 -10.050 1.00 10.00 H new ATOM 0 HG3 LYS A 41 5.419 6.719 -10.112 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.838 8.518 -12.515 1.00 10.00 H new ATOM 0 HD3 LYS A 41 6.422 8.139 -11.869 1.00 10.00 H new ATOM 0 HE2 LYS A 41 6.017 5.705 -12.357 1.00 10.00 H new ATOM 0 HE3 LYS A 41 4.461 6.118 -13.051 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 6.129 5.840 -14.742 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 5.588 7.450 -14.717 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 7.095 7.049 -14.045 1.00 10.00 H new ATOM 586 N LYS A 42 1.450 8.684 -8.152 1.00 10.00 N ATOM 587 CA LYS A 42 0.909 9.965 -7.723 1.00 10.00 C ATOM 588 C LYS A 42 0.441 9.863 -6.269 1.00 10.00 C ATOM 589 O LYS A 42 0.866 10.650 -5.429 1.00 10.00 O ATOM 590 CB LYS A 42 -0.192 10.453 -8.692 1.00 10.00 C ATOM 591 CG LYS A 42 -1.295 9.421 -9.000 1.00 10.00 C ATOM 592 CD LYS A 42 -1.984 9.691 -10.349 1.00 10.00 C ATOM 593 CE LYS A 42 -2.839 10.962 -10.407 1.00 10.00 C ATOM 594 NZ LYS A 42 -4.138 10.768 -9.728 1.00 10.00 N ATOM 0 H LYS A 42 1.247 7.934 -7.491 1.00 10.00 H new ATOM 0 HA LYS A 42 1.688 10.726 -7.757 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.657 11.344 -8.270 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.277 10.752 -9.630 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.862 8.421 -9.009 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -2.039 9.439 -8.204 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -1.219 9.752 -11.123 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -2.616 8.837 -10.593 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -2.301 11.786 -9.939 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -3.008 11.242 -11.447 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -4.694 11.645 -9.784 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -4.660 9.997 -10.191 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -3.975 10.525 -8.730 1.00 10.00 H new ATOM 608 N SER A 43 -0.370 8.850 -5.946 1.00 10.00 N ATOM 609 CA SER A 43 -0.770 8.577 -4.563 1.00 10.00 C ATOM 610 C SER A 43 0.260 7.704 -3.836 1.00 10.00 C ATOM 611 O SER A 43 0.711 8.068 -2.748 1.00 10.00 O ATOM 612 CB SER A 43 -2.180 7.974 -4.519 1.00 10.00 C ATOM 613 OG SER A 43 -3.099 8.925 -5.019 1.00 10.00 O ATOM 0 H SER A 43 -0.764 8.203 -6.629 1.00 10.00 H new ATOM 0 HA SER A 43 -0.801 9.524 -4.025 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.219 7.062 -5.115 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.441 7.698 -3.497 1.00 10.00 H new ATOM 0 HG SER A 43 -4.004 8.549 -4.997 1.00 10.00 H new ATOM 619 N ALA A 44 0.670 6.576 -4.442 1.00 10.00 N ATOM 620 CA ALA A 44 1.486 5.560 -3.758 1.00 10.00 C ATOM 621 C ALA A 44 2.890 6.041 -3.355 1.00 10.00 C ATOM 622 O ALA A 44 3.599 5.383 -2.595 1.00 10.00 O ATOM 623 CB ALA A 44 1.586 4.308 -4.628 1.00 10.00 C ATOM 0 H ALA A 44 0.447 6.345 -5.410 1.00 10.00 H new ATOM 0 HA ALA A 44 0.972 5.337 -2.823 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.191 3.558 -4.118 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.588 3.909 -4.807 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.051 4.563 -5.580 1.00 10.00 H new ATOM 629 N HIS A 45 3.310 7.169 -3.930 1.00 10.00 N ATOM 630 CA HIS A 45 4.667 7.694 -3.869 1.00 10.00 C ATOM 631 C HIS A 45 4.755 8.939 -2.973 1.00 10.00 C ATOM 632 O HIS A 45 5.826 9.243 -2.453 1.00 10.00 O ATOM 633 CB HIS A 45 5.138 7.930 -5.310 1.00 10.00 C ATOM 634 CG HIS A 45 5.096 6.646 -6.104 1.00 10.00 C ATOM 635 ND1 HIS A 45 3.944 6.063 -6.565 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.098 5.719 -6.243 1.00 10.00 C ATOM 637 CE1 HIS A 45 4.255 4.844 -7.019 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.555 4.564 -6.829 1.00 10.00 N ATOM 0 H HIS A 45 2.684 7.764 -4.473 1.00 10.00 H new ATOM 0 HA HIS A 45 5.340 6.978 -3.397 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.505 8.679 -5.786 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.153 8.327 -5.305 1.00 10.00 H new ATOM 0 HD2 HIS A 45 7.129 5.855 -5.951 1.00 10.00 H new ATOM 0 HE1 HIS A 45 3.549 4.169 -7.481 1.00 10.00 H new ATOM 0 HE2 HIS A 45 6.043 3.699 -7.061 1.00 10.00 H new ATOM 646 N LYS A 46 3.626 9.623 -2.742 1.00 10.00 N ATOM 647 CA LYS A 46 3.529 10.709 -1.770 1.00 10.00 C ATOM 648 C LYS A 46 3.295 10.152 -0.358 1.00 10.00 C ATOM 649 O LYS A 46 4.109 10.361 0.545 1.00 10.00 O ATOM 650 CB LYS A 46 2.378 11.657 -2.152 1.00 10.00 C ATOM 651 CG LYS A 46 2.638 12.428 -3.452 1.00 10.00 C ATOM 652 CD LYS A 46 1.397 13.237 -3.877 1.00 10.00 C ATOM 653 CE LYS A 46 1.058 14.438 -2.982 1.00 10.00 C ATOM 654 NZ LYS A 46 2.088 15.495 -3.058 1.00 10.00 N ATOM 0 H LYS A 46 2.751 9.433 -3.230 1.00 10.00 H new ATOM 0 HA LYS A 46 4.469 11.262 -1.777 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.460 11.079 -2.257 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.217 12.368 -1.341 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.485 13.101 -3.316 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.909 11.730 -4.244 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.548 13.595 -4.895 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.537 12.567 -3.899 1.00 10.00 H new ATOM 0 HE2 LYS A 46 0.093 14.850 -3.279 1.00 10.00 H new ATOM 0 HE3 LYS A 46 0.958 14.103 -1.949 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.795 16.308 -2.479 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 2.992 15.125 -2.703 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 2.202 15.798 -4.046 1.00 10.00 H new ATOM 668 N ASP A 47 2.148 9.485 -0.177 1.00 10.00 N ATOM 669 CA ASP A 47 1.562 9.279 1.139 1.00 10.00 C ATOM 670 C ASP A 47 0.820 7.939 1.268 1.00 10.00 C ATOM 671 O ASP A 47 1.167 7.128 2.128 1.00 10.00 O ATOM 672 CB ASP A 47 0.681 10.490 1.462 1.00 10.00 C ATOM 673 CG ASP A 47 0.356 10.503 2.940 1.00 10.00 C ATOM 674 OD1 ASP A 47 -0.535 9.723 3.325 1.00 10.00 O ATOM 675 OD2 ASP A 47 1.082 11.218 3.665 1.00 10.00 O ATOM 0 H ASP A 47 1.608 9.077 -0.940 1.00 10.00 H new ATOM 0 HA ASP A 47 2.358 9.206 1.880 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.195 11.410 1.184 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.238 10.450 0.878 1.00 10.00 H new ATOM 680 N ALA A 48 -0.151 7.659 0.390 1.00 10.00 N ATOM 681 CA ALA A 48 -0.776 6.339 0.332 1.00 10.00 C ATOM 682 C ALA A 48 0.307 5.252 0.229 1.00 10.00 C ATOM 683 O ALA A 48 1.256 5.400 -0.537 1.00 10.00 O ATOM 684 CB ALA A 48 -1.755 6.271 -0.842 1.00 10.00 C ATOM 0 H ALA A 48 -0.517 8.329 -0.286 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.342 6.164 1.247 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.215 5.283 -0.876 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.529 7.028 -0.714 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.219 6.454 -1.774 1.00 10.00 H new ATOM 690 N CYS A 49 0.223 4.215 1.068 1.00 10.00 N ATOM 691 CA CYS A 49 1.299 3.248 1.317 1.00 10.00 C ATOM 692 C CYS A 49 2.532 3.895 1.979 1.00 10.00 C ATOM 693 O CYS A 49 2.870 3.593 3.126 1.00 10.00 O ATOM 694 CB CYS A 49 1.676 2.447 0.078 1.00 10.00 C ATOM 695 SG CYS A 49 0.340 1.972 -1.079 1.00 10.00 S ATOM 0 H CYS A 49 -0.619 4.019 1.609 1.00 10.00 H new ATOM 0 HA CYS A 49 0.893 2.534 2.033 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.412 3.024 -0.481 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.171 1.534 0.409 1.00 10.00 H new ATOM 0 HG CYS A 49 0.844 1.300 -2.072 1.00 10.00 H new ATOM 700 N LYS A 50 3.207 4.789 1.250 1.00 10.00 N ATOM 701 CA LYS A 50 4.436 5.464 1.649 1.00 10.00 C ATOM 702 C LYS A 50 4.447 5.954 3.098 1.00 10.00 C ATOM 703 O LYS A 50 5.320 5.537 3.849 1.00 10.00 O ATOM 704 CB LYS A 50 4.755 6.611 0.676 1.00 10.00 C ATOM 705 CG LYS A 50 5.760 6.193 -0.404 1.00 10.00 C ATOM 706 CD LYS A 50 7.233 6.453 -0.036 1.00 10.00 C ATOM 707 CE LYS A 50 7.719 5.652 1.183 1.00 10.00 C ATOM 708 NZ LYS A 50 9.165 5.852 1.432 1.00 10.00 N ATOM 0 H LYS A 50 2.892 5.072 0.322 1.00 10.00 H new ATOM 0 HA LYS A 50 5.221 4.710 1.598 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.834 6.949 0.201 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.155 7.458 1.234 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.632 5.131 -0.611 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.528 6.727 -1.325 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.860 6.209 -0.893 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.366 7.516 0.163 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.153 5.953 2.065 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.521 4.592 1.024 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.455 5.296 2.262 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.707 5.541 0.600 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.351 6.860 1.609 1.00 10.00 H new ATOM 722 N THR A 51 3.547 6.861 3.486 1.00 10.00 N ATOM 723 CA THR A 51 3.537 7.481 4.814 1.00 10.00 C ATOM 724 C THR A 51 3.416 6.468 5.948 1.00 10.00 C ATOM 725 O THR A 51 4.222 6.511 6.874 1.00 10.00 O ATOM 726 CB THR A 51 2.549 8.649 4.897 1.00 10.00 C ATOM 727 OG1 THR A 51 3.164 9.734 4.230 1.00 10.00 O ATOM 728 CG2 THR A 51 2.288 9.118 6.330 1.00 10.00 C ATOM 0 H THR A 51 2.796 7.190 2.880 1.00 10.00 H new ATOM 0 HA THR A 51 4.521 7.926 4.963 1.00 10.00 H new ATOM 0 HB THR A 51 1.601 8.324 4.469 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.527 10.475 4.154 1.00 10.00 H new ATOM 0 HG21 THR A 51 1.580 9.947 6.318 1.00 10.00 H new ATOM 0 HG22 THR A 51 1.874 8.295 6.912 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.224 9.447 6.781 1.00 10.00 H new ATOM 736 N CYS A 52 2.490 5.509 5.868 1.00 10.00 N ATOM 737 CA CYS A 52 2.472 4.419 6.845 1.00 10.00 C ATOM 738 C CYS A 52 3.833 3.716 6.886 1.00 10.00 C ATOM 739 O CYS A 52 4.454 3.621 7.943 1.00 10.00 O ATOM 740 CB CYS A 52 1.360 3.454 6.558 1.00 10.00 C ATOM 741 SG CYS A 52 1.314 2.228 7.897 1.00 10.00 S ATOM 0 H CYS A 52 1.761 5.464 5.156 1.00 10.00 H new ATOM 0 HA CYS A 52 2.283 4.843 7.831 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.408 3.980 6.491 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.521 2.963 5.598 1.00 10.00 H new ATOM 0 HG CYS A 52 0.356 1.378 7.675 1.00 10.00 H new ATOM 746 N HIS A 53 4.353 3.334 5.715 1.00 10.00 N ATOM 747 CA HIS A 53 5.692 2.771 5.563 1.00 10.00 C ATOM 748 C HIS A 53 6.858 3.663 6.079 1.00 10.00 C ATOM 749 O HIS A 53 8.007 3.229 6.020 1.00 10.00 O ATOM 750 CB HIS A 53 5.889 2.416 4.079 1.00 10.00 C ATOM 751 CG HIS A 53 5.248 1.142 3.608 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.614 0.452 2.484 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.171 0.499 4.144 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.778 -0.594 2.354 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.877 -0.620 3.347 1.00 10.00 N ATOM 0 H HIS A 53 3.844 3.410 4.834 1.00 10.00 H new ATOM 0 HA HIS A 53 5.740 1.890 6.203 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.501 3.237 3.476 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.959 2.354 3.881 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.383 0.689 1.857 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.634 0.800 5.032 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.826 -1.318 1.554 1.00 10.00 H new ATOM 763 N LYS A 54 6.615 4.898 6.538 1.00 10.00 N ATOM 764 CA LYS A 54 7.604 5.712 7.243 1.00 10.00 C ATOM 765 C LYS A 54 7.619 5.379 8.741 1.00 10.00 C ATOM 766 O LYS A 54 8.671 5.373 9.376 1.00 10.00 O ATOM 767 CB LYS A 54 7.312 7.186 7.035 1.00 10.00 C ATOM 768 CG LYS A 54 7.248 7.446 5.536 1.00 10.00 C ATOM 769 CD LYS A 54 7.347 8.943 5.297 1.00 10.00 C ATOM 770 CE LYS A 54 6.959 9.354 3.857 1.00 10.00 C ATOM 771 NZ LYS A 54 5.728 10.188 3.775 1.00 10.00 N ATOM 0 H LYS A 54 5.714 5.362 6.427 1.00 10.00 H new ATOM 0 HA LYS A 54 8.589 5.485 6.834 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.369 7.458 7.510 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.089 7.797 7.495 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.061 6.928 5.027 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.316 7.058 5.125 1.00 10.00 H new ATOM 0 HD2 LYS A 54 6.699 9.461 6.004 1.00 10.00 H new ATOM 0 HD3 LYS A 54 8.367 9.271 5.500 1.00 10.00 H new ATOM 0 HE2 LYS A 54 7.788 9.904 3.411 1.00 10.00 H new ATOM 0 HE3 LYS A 54 6.816 8.454 3.259 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 5.705 10.685 2.862 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 4.890 9.578 3.859 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 5.728 10.884 4.548 1.00 10.00 H new ATOM 859 N LYS A 61 12.762 1.123 0.087 1.00 10.00 N ATOM 860 CA LYS A 61 13.478 0.942 -1.171 1.00 10.00 C ATOM 861 C LYS A 61 12.455 0.648 -2.277 1.00 10.00 C ATOM 862 O LYS A 61 11.488 -0.066 -2.017 1.00 10.00 O ATOM 863 CB LYS A 61 14.517 -0.186 -1.000 1.00 10.00 C ATOM 864 CG LYS A 61 13.881 -1.578 -0.849 1.00 10.00 C ATOM 865 CD LYS A 61 14.718 -2.608 -0.073 1.00 10.00 C ATOM 866 CE LYS A 61 16.114 -2.877 -0.649 1.00 10.00 C ATOM 867 NZ LYS A 61 17.092 -1.853 -0.221 1.00 10.00 N ATOM 0 HA LYS A 61 14.023 1.842 -1.456 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.184 -0.190 -1.862 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.130 0.023 -0.123 1.00 10.00 H new ATOM 0 HG2 LYS A 61 12.919 -1.466 -0.349 1.00 10.00 H new ATOM 0 HG3 LYS A 61 13.679 -1.976 -1.844 1.00 10.00 H new ATOM 0 HD2 LYS A 61 14.826 -2.265 0.956 1.00 10.00 H new ATOM 0 HD3 LYS A 61 14.168 -3.549 -0.039 1.00 10.00 H new ATOM 0 HE2 LYS A 61 16.455 -3.862 -0.329 1.00 10.00 H new ATOM 0 HE3 LYS A 61 16.061 -2.896 -1.738 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 18.045 -2.270 -0.201 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 17.076 -1.057 -0.890 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 16.844 -1.512 0.729 1.00 10.00 H new ATOM 881 N CYS A 62 12.628 1.189 -3.490 1.00 10.00 N ATOM 882 CA CYS A 62 11.657 1.000 -4.577 1.00 10.00 C ATOM 883 C CYS A 62 11.341 -0.492 -4.782 1.00 10.00 C ATOM 884 O CYS A 62 10.184 -0.912 -4.762 1.00 10.00 O ATOM 885 CB CYS A 62 12.152 1.606 -5.870 1.00 10.00 C ATOM 886 SG CYS A 62 12.857 3.280 -5.710 1.00 10.00 S ATOM 0 H CYS A 62 13.433 1.762 -3.744 1.00 10.00 H new ATOM 0 HA CYS A 62 10.741 1.515 -4.286 1.00 10.00 H new ATOM 0 HB2 CYS A 62 12.909 0.948 -6.297 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.324 1.642 -6.578 1.00 10.00 H new ATOM 0 HG CYS A 62 13.250 3.699 -6.876 1.00 10.00 H new ATOM 891 N GLY A 63 12.379 -1.319 -4.927 1.00 10.00 N ATOM 892 CA GLY A 63 12.236 -2.767 -5.087 1.00 10.00 C ATOM 893 C GLY A 63 11.567 -3.485 -3.902 1.00 10.00 C ATOM 894 O GLY A 63 11.288 -4.677 -3.981 1.00 10.00 O ATOM 0 H GLY A 63 13.348 -1.000 -4.937 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.654 -2.963 -5.988 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.224 -3.200 -5.245 1.00 10.00 H new ATOM 898 N GLY A 64 11.304 -2.776 -2.797 1.00 10.00 N ATOM 899 CA GLY A 64 10.540 -3.286 -1.666 1.00 10.00 C ATOM 900 C GLY A 64 9.033 -3.330 -1.936 1.00 10.00 C ATOM 901 O GLY A 64 8.316 -4.029 -1.225 1.00 10.00 O ATOM 0 H GLY A 64 11.624 -1.816 -2.668 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.889 -4.289 -1.421 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.730 -2.660 -0.794 1.00 10.00 H new ATOM 905 N CYS A 65 8.548 -2.586 -2.941 1.00 10.00 N ATOM 906 CA CYS A 65 7.146 -2.654 -3.366 1.00 10.00 C ATOM 907 C CYS A 65 7.035 -3.436 -4.682 1.00 10.00 C ATOM 908 O CYS A 65 6.588 -4.576 -4.695 1.00 10.00 O ATOM 909 CB CYS A 65 6.551 -1.266 -3.429 1.00 10.00 C ATOM 910 SG CYS A 65 6.409 -0.551 -1.754 1.00 10.00 S ATOM 0 H CYS A 65 9.112 -1.926 -3.477 1.00 10.00 H new ATOM 0 HA CYS A 65 6.556 -3.202 -2.632 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.175 -0.625 -4.052 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.568 -1.307 -3.897 1.00 10.00 H new ATOM 0 HG CYS A 65 5.898 0.642 -1.833 1.00 10.00 H new ATOM 915 N HIS A 66 7.483 -2.846 -5.789 1.00 10.00 N ATOM 916 CA HIS A 66 7.575 -3.510 -7.092 1.00 10.00 C ATOM 917 C HIS A 66 8.633 -4.635 -7.034 1.00 10.00 C ATOM 918 O HIS A 66 9.804 -4.327 -6.819 1.00 10.00 O ATOM 919 CB HIS A 66 7.915 -2.487 -8.212 1.00 10.00 C ATOM 920 CG HIS A 66 7.922 -1.050 -7.824 1.00 10.00 C ATOM 921 ND1 HIS A 66 8.832 -0.516 -6.970 1.00 10.00 N ATOM 922 CD2 HIS A 66 6.970 -0.101 -8.074 1.00 10.00 C ATOM 923 CE1 HIS A 66 8.417 0.714 -6.665 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.302 1.044 -7.330 1.00 10.00 N ATOM 0 H HIS A 66 7.798 -1.876 -5.808 1.00 10.00 H new ATOM 0 HA HIS A 66 6.607 -3.951 -7.330 1.00 10.00 H new ATOM 0 HB2 HIS A 66 8.897 -2.736 -8.614 1.00 10.00 H new ATOM 0 HB3 HIS A 66 7.197 -2.618 -9.022 1.00 10.00 H new ATOM 0 HD1 HIS A 66 9.677 -0.971 -6.625 1.00 10.00 H new ATOM 0 HD2 HIS A 66 6.116 -0.212 -8.726 1.00 10.00 H new ATOM 0 HE1 HIS A 66 8.920 1.366 -5.966 1.00 10.00 H new ATOM 932 N ILE A 67 8.258 -5.902 -7.260 1.00 10.00 N ATOM 933 CA ILE A 67 9.211 -7.026 -7.331 1.00 10.00 C ATOM 934 C ILE A 67 10.399 -6.707 -8.256 1.00 10.00 C ATOM 935 O ILE A 67 10.218 -6.091 -9.304 1.00 10.00 O ATOM 936 CB ILE A 67 8.492 -8.305 -7.808 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.381 -8.771 -6.851 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.474 -9.460 -8.061 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.869 -9.252 -5.479 1.00 10.00 C ATOM 0 H ILE A 67 7.286 -6.180 -7.399 1.00 10.00 H new ATOM 0 HA ILE A 67 9.607 -7.189 -6.328 1.00 10.00 H new ATOM 0 HB ILE A 67 8.021 -8.028 -8.751 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.681 -7.949 -6.703 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.827 -9.580 -7.327 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.923 -10.339 -8.395 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.190 -9.167 -8.829 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.006 -9.694 -7.139 1.00 10.00 H new ATOM 0 HD11 ILE A 67 7.015 -9.559 -4.876 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.544 -10.098 -5.609 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.395 -8.441 -4.975 1.00 10.00 H new ATOM 951 N LYS A 68 11.621 -7.105 -7.884 1.00 10.00 N ATOM 952 CA LYS A 68 12.821 -6.674 -8.587 1.00 10.00 C ATOM 953 C LYS A 68 13.997 -7.646 -8.481 1.00 10.00 C ATOM 954 O LYS A 68 14.947 -7.393 -9.260 1.00 10.00 O ATOM 955 CB LYS A 68 13.228 -5.280 -8.073 1.00 10.00 C ATOM 956 CG LYS A 68 12.750 -4.167 -9.017 1.00 10.00 C ATOM 957 CD LYS A 68 13.886 -3.219 -9.434 1.00 10.00 C ATOM 958 CE LYS A 68 15.163 -3.879 -9.995 1.00 10.00 C ATOM 959 NZ LYS A 68 14.919 -5.172 -10.675 1.00 10.00 N ATOM 960 OXT LYS A 68 13.937 -8.572 -7.645 1.00 10.00 O ATOM 0 H LYS A 68 11.799 -7.728 -7.096 1.00 10.00 H new ATOM 0 HA LYS A 68 12.571 -6.642 -9.647 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.808 -5.121 -7.080 1.00 10.00 H new ATOM 0 HB3 LYS A 68 14.312 -5.231 -7.972 1.00 10.00 H new ATOM 0 HG2 LYS A 68 12.310 -4.615 -9.908 1.00 10.00 H new ATOM 0 HG3 LYS A 68 11.964 -3.593 -8.527 1.00 10.00 H new ATOM 0 HD2 LYS A 68 13.498 -2.532 -10.186 1.00 10.00 H new ATOM 0 HD3 LYS A 68 14.165 -2.619 -8.568 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.636 -3.193 -10.698 1.00 10.00 H new ATOM 0 HE3 LYS A 68 15.868 -4.036 -9.179 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 15.584 -5.278 -11.468 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 15.058 -5.951 -10.000 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 13.944 -5.196 -11.035 1.00 10.00 H new