USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 401 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 Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 12 ASN : amide:sc= -0.0821 K(o=-0.082,f=-2.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -128:sc= -0.721 (180deg=-2.23!) USER MOD Single : A 25 HIS : no HD1:sc= -5.41! C(o=-5.4!,f=-5.2!) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0261) USER MOD Single : A 35 SER OG : rot 63:sc= 1.32 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.012) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc=-0.00711 X(o=-0.0071,f=-0.29) USER MOD Single : A 54 ASN : amide:sc= -0.0125 K(o=-0.012,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 8.403 -0.589 -11.898 1.00 0.00 N ATOM 81 CA ALA A 9 7.975 -1.752 -11.131 1.00 0.00 C ATOM 82 C ALA A 9 8.218 -1.546 -9.640 1.00 0.00 C ATOM 83 O ALA A 9 8.151 -2.492 -8.855 1.00 0.00 O ATOM 84 CB ALA A 9 8.697 -3.000 -11.618 1.00 0.00 C ATOM 0 HA ALA A 9 6.904 -1.883 -11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.368 -3.861 -11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.469 -3.165 -12.671 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.772 -2.869 -11.496 1.00 0.00 H new ATOM 90 N GLN A 10 8.499 -0.305 -9.257 1.00 0.00 N ATOM 91 CA GLN A 10 8.753 0.024 -7.859 1.00 0.00 C ATOM 92 C GLN A 10 7.542 -0.307 -6.993 1.00 0.00 C ATOM 93 O GLN A 10 6.407 -0.367 -7.468 1.00 0.00 O ATOM 94 CB GLN A 10 9.106 1.505 -7.718 1.00 0.00 C ATOM 95 CG GLN A 10 10.550 1.823 -8.072 1.00 0.00 C ATOM 96 CD GLN A 10 10.983 3.192 -7.584 1.00 0.00 C ATOM 97 OE1 GLN A 10 10.480 4.216 -8.047 1.00 0.00 O ATOM 98 NE2 GLN A 10 11.921 3.216 -6.645 1.00 0.00 N ATOM 0 H GLN A 10 8.557 0.489 -9.895 1.00 0.00 H new ATOM 0 HA GLN A 10 9.596 -0.577 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.446 2.090 -8.359 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.914 1.819 -6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.202 1.064 -7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.675 1.771 -9.154 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.310 2.342 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.253 4.108 -6.278 1.00 0.00 H new ATOM 107 N PRO A 11 7.785 -0.527 -5.693 1.00 0.00 N ATOM 108 CA PRO A 11 6.727 -0.856 -4.734 1.00 0.00 C ATOM 109 C PRO A 11 5.804 0.327 -4.461 1.00 0.00 C ATOM 110 O PRO A 11 4.607 0.154 -4.240 1.00 0.00 O ATOM 111 CB PRO A 11 7.500 -1.234 -3.468 1.00 0.00 C ATOM 112 CG PRO A 11 8.799 -0.516 -3.589 1.00 0.00 C ATOM 113 CD PRO A 11 9.113 -0.473 -5.059 1.00 0.00 C ATOM 0 HA PRO A 11 6.074 -1.647 -5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.962 -0.930 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.648 -2.312 -3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.729 0.490 -3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.584 -1.033 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.650 0.436 -5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.737 -1.314 -5.361 1.00 0.00 H new ATOM 121 N ASN A 12 6.370 1.530 -4.478 1.00 0.00 N ATOM 122 CA ASN A 12 5.598 2.742 -4.232 1.00 0.00 C ATOM 123 C ASN A 12 5.094 3.341 -5.542 1.00 0.00 C ATOM 124 O ASN A 12 3.899 3.585 -5.706 1.00 0.00 O ATOM 125 CB ASN A 12 6.448 3.770 -3.482 1.00 0.00 C ATOM 126 CG ASN A 12 6.446 3.537 -1.983 1.00 0.00 C ATOM 127 OD1 ASN A 12 6.169 4.449 -1.203 1.00 0.00 O ATOM 128 ND2 ASN A 12 6.756 2.313 -1.574 1.00 0.00 N ATOM 0 H ASN A 12 7.361 1.691 -4.660 1.00 0.00 H new ATOM 0 HA ASN A 12 4.737 2.476 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.472 3.730 -3.852 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.072 4.771 -3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.771 2.097 -0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.979 1.588 -2.256 1.00 0.00 H new ATOM 135 N ALA A 13 6.015 3.575 -6.472 1.00 0.00 N ATOM 136 CA ALA A 13 5.664 4.143 -7.768 1.00 0.00 C ATOM 137 C ALA A 13 4.344 3.574 -8.278 1.00 0.00 C ATOM 138 O ALA A 13 3.503 4.306 -8.799 1.00 0.00 O ATOM 139 CB ALA A 13 6.776 3.886 -8.775 1.00 0.00 C ATOM 0 H ALA A 13 7.009 3.380 -6.352 1.00 0.00 H new ATOM 0 HA ALA A 13 5.542 5.219 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.501 4.315 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.699 4.346 -8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.925 2.812 -8.886 1.00 0.00 H new ATOM 145 N ILE A 14 4.171 2.265 -8.124 1.00 0.00 N ATOM 146 CA ILE A 14 2.953 1.599 -8.569 1.00 0.00 C ATOM 147 C ILE A 14 1.770 1.965 -7.679 1.00 0.00 C ATOM 148 O ILE A 14 0.714 2.371 -8.167 1.00 0.00 O ATOM 149 CB ILE A 14 3.120 0.068 -8.578 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.366 -0.326 -9.374 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.881 -0.596 -9.160 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.862 -1.722 -9.067 1.00 0.00 C ATOM 0 H ILE A 14 4.858 1.645 -7.695 1.00 0.00 H new ATOM 0 HA ILE A 14 2.759 1.941 -9.586 1.00 0.00 H new ATOM 0 HB ILE A 14 3.244 -0.276 -7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.145 -0.254 -10.439 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.162 0.388 -9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.014 -1.678 -9.160 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.012 -0.337 -8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.729 -0.249 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.747 -1.934 -9.667 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.115 -1.794 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.082 -2.446 -9.304 1.00 0.00 H new ATOM 164 N LEU A 15 1.954 1.821 -6.372 1.00 0.00 N ATOM 165 CA LEU A 15 0.902 2.138 -5.412 1.00 0.00 C ATOM 166 C LEU A 15 0.341 3.535 -5.660 1.00 0.00 C ATOM 167 O LEU A 15 -0.863 3.760 -5.541 1.00 0.00 O ATOM 168 CB LEU A 15 1.441 2.039 -3.984 1.00 0.00 C ATOM 169 CG LEU A 15 1.318 0.671 -3.313 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.337 0.532 -2.193 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.093 0.462 -2.782 1.00 0.00 C ATOM 0 H LEU A 15 2.821 1.487 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 15 0.097 1.415 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.493 2.323 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.919 2.771 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 15 1.522 -0.097 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.234 -0.448 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.342 0.636 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.166 1.308 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.162 -0.517 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.325 1.237 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.804 0.517 -3.607 1.00 0.00 H new ATOM 183 N GLU A 16 1.222 4.467 -6.008 1.00 0.00 N ATOM 184 CA GLU A 16 0.813 5.841 -6.275 1.00 0.00 C ATOM 185 C GLU A 16 -0.037 5.920 -7.540 1.00 0.00 C ATOM 186 O GLU A 16 -0.784 6.878 -7.741 1.00 0.00 O ATOM 187 CB GLU A 16 2.041 6.744 -6.415 1.00 0.00 C ATOM 188 CG GLU A 16 1.737 8.219 -6.215 1.00 0.00 C ATOM 189 CD GLU A 16 2.992 9.060 -6.082 1.00 0.00 C ATOM 190 OE1 GLU A 16 3.936 8.615 -5.396 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.030 10.164 -6.665 1.00 0.00 O ATOM 0 H GLU A 16 2.222 4.296 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 16 0.212 6.184 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.793 6.435 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.475 6.602 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.148 8.582 -7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.125 8.342 -5.321 1.00 0.00 H new ATOM 198 N LYS A 17 0.084 4.907 -8.391 1.00 0.00 N ATOM 199 CA LYS A 17 -0.672 4.859 -9.637 1.00 0.00 C ATOM 200 C LYS A 17 -2.109 4.412 -9.384 1.00 0.00 C ATOM 201 O LYS A 17 -3.058 5.127 -9.705 1.00 0.00 O ATOM 202 CB LYS A 17 0.002 3.910 -10.630 1.00 0.00 C ATOM 203 CG LYS A 17 -0.726 3.804 -11.959 1.00 0.00 C ATOM 204 CD LYS A 17 0.092 3.033 -12.982 1.00 0.00 C ATOM 205 CE LYS A 17 -0.176 1.539 -12.899 1.00 0.00 C ATOM 206 NZ LYS A 17 -1.339 1.136 -13.738 1.00 0.00 N ATOM 0 H LYS A 17 0.699 4.107 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.692 5.863 -10.061 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.022 4.250 -10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.071 2.918 -10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.686 3.309 -11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.938 4.803 -12.340 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.146 3.391 -13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.153 3.223 -12.819 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.711 0.993 -13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.363 1.261 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.489 0.110 -13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.191 1.638 -13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.151 1.378 -14.732 1.00 0.00 H new ATOM 220 N VAL A 18 -2.261 3.224 -8.807 1.00 0.00 N ATOM 221 CA VAL A 18 -3.582 2.683 -8.509 1.00 0.00 C ATOM 222 C VAL A 18 -4.312 3.546 -7.487 1.00 0.00 C ATOM 223 O VAL A 18 -5.489 3.327 -7.201 1.00 0.00 O ATOM 224 CB VAL A 18 -3.490 1.241 -7.975 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.872 0.610 -7.901 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.560 0.409 -8.845 1.00 0.00 C ATOM 0 H VAL A 18 -1.486 2.618 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.142 2.682 -9.444 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.076 1.271 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.787 -0.408 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.504 1.195 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.317 0.591 -8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.507 -0.607 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.942 0.385 -9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.564 0.852 -8.840 1.00 0.00 H new ATOM 236 N PHE A 19 -3.606 4.529 -6.938 1.00 0.00 N ATOM 237 CA PHE A 19 -4.186 5.427 -5.947 1.00 0.00 C ATOM 238 C PHE A 19 -4.959 6.557 -6.622 1.00 0.00 C ATOM 239 O PHE A 19 -6.046 6.931 -6.181 1.00 0.00 O ATOM 240 CB PHE A 19 -3.091 6.008 -5.050 1.00 0.00 C ATOM 241 CG PHE A 19 -3.614 6.927 -3.984 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.331 6.426 -2.909 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.388 8.292 -4.055 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.814 7.269 -1.927 1.00 0.00 C ATOM 245 CE2 PHE A 19 -3.869 9.141 -3.076 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.581 8.628 -2.009 1.00 0.00 C ATOM 0 H PHE A 19 -2.630 4.724 -7.163 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.880 4.851 -5.335 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.547 5.190 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.376 6.551 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.514 5.364 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.829 8.698 -4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.373 6.866 -1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.689 10.204 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.955 9.288 -1.240 1.00 0.00 H new ATOM 256 N THR A 20 -4.389 7.097 -7.694 1.00 0.00 N ATOM 257 CA THR A 20 -5.021 8.185 -8.430 1.00 0.00 C ATOM 258 C THR A 20 -5.473 7.724 -9.811 1.00 0.00 C ATOM 259 O THR A 20 -6.575 8.047 -10.253 1.00 0.00 O ATOM 260 CB THR A 20 -4.069 9.385 -8.587 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.147 9.142 -9.656 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.302 9.640 -7.298 1.00 0.00 C ATOM 0 H THR A 20 -3.490 6.799 -8.072 1.00 0.00 H new ATOM 0 HA THR A 20 -5.891 8.495 -7.851 1.00 0.00 H new ATOM 0 HB THR A 20 -4.667 10.267 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.546 9.910 -9.751 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.636 10.492 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.005 9.853 -6.492 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.715 8.758 -7.043 1.00 0.00 H new ATOM 270 N ALA A 21 -4.615 6.968 -10.488 1.00 0.00 N ATOM 271 CA ALA A 21 -4.929 6.461 -11.818 1.00 0.00 C ATOM 272 C ALA A 21 -6.131 5.524 -11.780 1.00 0.00 C ATOM 273 O ALA A 21 -6.748 5.248 -12.809 1.00 0.00 O ATOM 274 CB ALA A 21 -3.721 5.748 -12.409 1.00 0.00 C ATOM 0 H ALA A 21 -3.697 6.693 -10.137 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.184 7.310 -12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.969 5.374 -13.402 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.886 6.445 -12.482 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.441 4.913 -11.767 1.00 0.00 H new ATOM 280 N ILE A 22 -6.459 5.038 -10.587 1.00 0.00 N ATOM 281 CA ILE A 22 -7.589 4.133 -10.416 1.00 0.00 C ATOM 282 C ILE A 22 -8.569 4.668 -9.377 1.00 0.00 C ATOM 283 O ILE A 22 -9.688 5.061 -9.707 1.00 0.00 O ATOM 284 CB ILE A 22 -7.124 2.727 -9.991 1.00 0.00 C ATOM 285 CG1 ILE A 22 -5.995 2.243 -10.903 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.292 1.752 -10.021 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.468 1.810 -12.273 1.00 0.00 C ATOM 0 H ILE A 22 -5.958 5.256 -9.725 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.089 4.065 -11.382 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.745 2.778 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.263 3.042 -11.016 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.484 1.408 -10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.948 0.763 -9.718 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.068 2.092 -9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.698 1.702 -11.031 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.614 1.480 -12.865 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.178 0.989 -12.170 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.953 2.649 -12.772 1.00 0.00 H new ATOM 299 N THR A 23 -8.141 4.681 -8.119 1.00 0.00 N ATOM 300 CA THR A 23 -8.979 5.168 -7.031 1.00 0.00 C ATOM 301 C THR A 23 -8.192 5.262 -5.729 1.00 0.00 C ATOM 302 O THR A 23 -7.382 4.389 -5.417 1.00 0.00 O ATOM 303 CB THR A 23 -10.202 4.257 -6.813 1.00 0.00 C ATOM 304 OG1 THR A 23 -11.193 4.943 -6.040 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.800 2.972 -6.106 1.00 0.00 C ATOM 0 H THR A 23 -7.218 4.359 -7.828 1.00 0.00 H new ATOM 0 HA THR A 23 -9.321 6.162 -7.318 1.00 0.00 H new ATOM 0 HB THR A 23 -10.616 4.002 -7.789 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.968 4.358 -5.908 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.680 2.345 -5.963 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.068 2.437 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.364 3.211 -5.136 1.00 0.00 H new ATOM 313 N LYS A 24 -8.435 6.327 -4.972 1.00 0.00 N ATOM 314 CA LYS A 24 -7.750 6.535 -3.701 1.00 0.00 C ATOM 315 C LYS A 24 -8.089 5.424 -2.712 1.00 0.00 C ATOM 316 O LYS A 24 -7.313 5.132 -1.802 1.00 0.00 O ATOM 317 CB LYS A 24 -8.131 7.894 -3.110 1.00 0.00 C ATOM 318 CG LYS A 24 -7.966 9.049 -4.082 1.00 0.00 C ATOM 319 CD LYS A 24 -6.575 9.654 -3.998 1.00 0.00 C ATOM 320 CE LYS A 24 -6.482 10.949 -4.789 1.00 0.00 C ATOM 321 NZ LYS A 24 -6.436 10.700 -6.257 1.00 0.00 N ATOM 0 H LYS A 24 -9.101 7.060 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.676 6.515 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.168 7.857 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.518 8.082 -2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.151 8.700 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.711 9.815 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.322 9.845 -2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.843 8.941 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.339 11.580 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.590 11.497 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.622 11.199 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.341 9.679 -6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.313 11.047 -6.696 1.00 0.00 H new ATOM 335 N HIS A 25 -9.252 4.808 -2.897 1.00 0.00 N ATOM 336 CA HIS A 25 -9.693 3.727 -2.022 1.00 0.00 C ATOM 337 C HIS A 25 -9.907 2.440 -2.813 1.00 0.00 C ATOM 338 O HIS A 25 -11.029 2.085 -3.175 1.00 0.00 O ATOM 339 CB HIS A 25 -10.984 4.119 -1.303 1.00 0.00 C ATOM 340 CG HIS A 25 -10.777 5.099 -0.190 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.557 4.718 1.117 1.00 0.00 N ATOM 342 CD2 HIS A 25 -10.754 6.452 -0.194 1.00 0.00 C ATOM 343 CE1 HIS A 25 -10.410 5.794 1.869 1.00 0.00 C ATOM 344 NE2 HIS A 25 -10.525 6.860 1.097 1.00 0.00 N ATOM 0 H HIS A 25 -9.906 5.039 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.913 3.551 -1.281 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.678 4.546 -2.027 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.454 3.221 -0.902 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.890 7.092 -1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.227 5.801 2.933 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.455 7.829 1.409 1.00 0.00 H new ATOM 353 N PRO A 26 -8.807 1.724 -3.088 1.00 0.00 N ATOM 354 CA PRO A 26 -8.849 0.466 -3.839 1.00 0.00 C ATOM 355 C PRO A 26 -9.503 -0.661 -3.046 1.00 0.00 C ATOM 356 O PRO A 26 -9.419 -0.699 -1.818 1.00 0.00 O ATOM 357 CB PRO A 26 -7.371 0.154 -4.091 1.00 0.00 C ATOM 358 CG PRO A 26 -6.645 0.846 -2.990 1.00 0.00 C ATOM 359 CD PRO A 26 -7.437 2.087 -2.687 1.00 0.00 C ATOM 0 HA PRO A 26 -9.442 0.554 -4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.185 -0.920 -4.075 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.050 0.518 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.570 0.207 -2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.628 1.096 -3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.384 2.350 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.068 2.946 -3.248 1.00 0.00 H new ATOM 367 N ASP A 27 -10.154 -1.576 -3.755 1.00 0.00 N ATOM 368 CA ASP A 27 -10.821 -2.705 -3.117 1.00 0.00 C ATOM 369 C ASP A 27 -9.883 -3.904 -3.016 1.00 0.00 C ATOM 370 O ASP A 27 -8.781 -3.889 -3.563 1.00 0.00 O ATOM 371 CB ASP A 27 -12.078 -3.090 -3.899 1.00 0.00 C ATOM 372 CG ASP A 27 -11.871 -3.020 -5.399 1.00 0.00 C ATOM 373 OD1 ASP A 27 -10.945 -3.690 -5.902 1.00 0.00 O ATOM 374 OD2 ASP A 27 -12.634 -2.294 -6.071 1.00 0.00 O ATOM 0 H ASP A 27 -10.234 -1.558 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.107 -2.404 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.378 -4.101 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.895 -2.427 -3.617 1.00 0.00 H new ATOM 379 N GLU A 28 -10.329 -4.940 -2.311 1.00 0.00 N ATOM 380 CA GLU A 28 -9.528 -6.146 -2.137 1.00 0.00 C ATOM 381 C GLU A 28 -9.038 -6.673 -3.483 1.00 0.00 C ATOM 382 O GLU A 28 -7.838 -6.847 -3.695 1.00 0.00 O ATOM 383 CB GLU A 28 -10.341 -7.225 -1.419 1.00 0.00 C ATOM 384 CG GLU A 28 -10.746 -6.843 -0.005 1.00 0.00 C ATOM 385 CD GLU A 28 -12.042 -6.058 0.038 1.00 0.00 C ATOM 386 OE1 GLU A 28 -13.113 -6.672 -0.151 1.00 0.00 O ATOM 387 OE2 GLU A 28 -11.986 -4.830 0.260 1.00 0.00 O ATOM 0 H GLU A 28 -11.239 -4.968 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.660 -5.891 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.238 -7.438 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.757 -8.145 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.853 -7.747 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.952 -6.251 0.449 1.00 0.00 H new ATOM 394 N LYS A 29 -9.976 -6.925 -4.389 1.00 0.00 N ATOM 395 CA LYS A 29 -9.643 -7.432 -5.715 1.00 0.00 C ATOM 396 C LYS A 29 -8.423 -6.712 -6.282 1.00 0.00 C ATOM 397 O LYS A 29 -7.522 -7.340 -6.838 1.00 0.00 O ATOM 398 CB LYS A 29 -10.833 -7.264 -6.662 1.00 0.00 C ATOM 399 CG LYS A 29 -11.792 -8.441 -6.649 1.00 0.00 C ATOM 400 CD LYS A 29 -12.520 -8.553 -5.319 1.00 0.00 C ATOM 401 CE LYS A 29 -13.460 -9.748 -5.297 1.00 0.00 C ATOM 402 NZ LYS A 29 -14.637 -9.544 -6.187 1.00 0.00 N ATOM 0 H LYS A 29 -10.974 -6.786 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.407 -8.492 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.378 -6.360 -6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.462 -7.120 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.518 -8.329 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.242 -9.362 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.793 -8.646 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.086 -7.640 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.919 -10.641 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.802 -9.922 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.295 -10.342 -6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.119 -8.660 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.319 -9.488 -7.176 1.00 0.00 H new ATOM 416 N ARG A 30 -8.401 -5.391 -6.137 1.00 0.00 N ATOM 417 CA ARG A 30 -7.292 -4.586 -6.634 1.00 0.00 C ATOM 418 C ARG A 30 -6.005 -4.908 -5.879 1.00 0.00 C ATOM 419 O ARG A 30 -5.008 -5.316 -6.476 1.00 0.00 O ATOM 420 CB ARG A 30 -7.615 -3.097 -6.501 1.00 0.00 C ATOM 421 CG ARG A 30 -6.818 -2.214 -7.448 1.00 0.00 C ATOM 422 CD ARG A 30 -7.592 -0.961 -7.826 1.00 0.00 C ATOM 423 NE ARG A 30 -8.856 -1.277 -8.487 1.00 0.00 N ATOM 424 CZ ARG A 30 -8.938 -1.774 -9.716 1.00 0.00 C ATOM 425 NH1 ARG A 30 -7.836 -2.011 -10.414 1.00 0.00 N ATOM 426 NH2 ARG A 30 -10.125 -2.035 -10.249 1.00 0.00 N ATOM 0 H ARG A 30 -9.139 -4.856 -5.679 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.145 -4.826 -7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.679 -2.947 -6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.422 -2.782 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.875 -1.933 -6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.570 -2.775 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.789 -0.372 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.982 -0.343 -8.486 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.723 -1.107 -7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.922 -1.812 -10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.902 -2.393 -11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.975 -1.854 -9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.187 -2.417 -11.193 1.00 0.00 H new ATOM 440 N LEU A 31 -6.035 -4.721 -4.564 1.00 0.00 N ATOM 441 CA LEU A 31 -4.871 -4.990 -3.727 1.00 0.00 C ATOM 442 C LEU A 31 -4.239 -6.330 -4.088 1.00 0.00 C ATOM 443 O LEU A 31 -3.016 -6.464 -4.109 1.00 0.00 O ATOM 444 CB LEU A 31 -5.269 -4.983 -2.250 1.00 0.00 C ATOM 445 CG LEU A 31 -5.998 -3.733 -1.757 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.947 -4.082 -0.620 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.001 -2.672 -1.315 1.00 0.00 C ATOM 0 H LEU A 31 -6.852 -4.384 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.137 -4.204 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.905 -5.848 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.368 -5.114 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.585 -3.329 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.457 -3.180 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.683 -4.806 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.381 -4.511 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.539 -1.790 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.387 -3.065 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.363 -2.400 -2.156 1.00 0.00 H new ATOM 459 N GLU A 32 -5.081 -7.318 -4.375 1.00 0.00 N ATOM 460 CA GLU A 32 -4.603 -8.647 -4.737 1.00 0.00 C ATOM 461 C GLU A 32 -3.573 -8.568 -5.860 1.00 0.00 C ATOM 462 O GLU A 32 -2.548 -9.248 -5.827 1.00 0.00 O ATOM 463 CB GLU A 32 -5.773 -9.535 -5.166 1.00 0.00 C ATOM 464 CG GLU A 32 -6.444 -10.258 -4.011 1.00 0.00 C ATOM 465 CD GLU A 32 -7.346 -11.386 -4.473 1.00 0.00 C ATOM 466 OE1 GLU A 32 -7.006 -12.042 -5.480 1.00 0.00 O ATOM 467 OE2 GLU A 32 -8.390 -11.614 -3.828 1.00 0.00 O ATOM 0 H GLU A 32 -6.097 -7.223 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.126 -9.084 -3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.514 -8.922 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.415 -10.271 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.680 -10.659 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.029 -9.544 -3.431 1.00 0.00 H new ATOM 474 N GLY A 33 -3.853 -7.731 -6.855 1.00 0.00 N ATOM 475 CA GLY A 33 -2.943 -7.577 -7.974 1.00 0.00 C ATOM 476 C GLY A 33 -1.605 -6.999 -7.558 1.00 0.00 C ATOM 477 O GLY A 33 -0.555 -7.446 -8.022 1.00 0.00 O ATOM 0 H GLY A 33 -4.695 -7.157 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.785 -8.547 -8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.399 -6.928 -8.722 1.00 0.00 H new ATOM 481 N LEU A 34 -1.640 -6.000 -6.683 1.00 0.00 N ATOM 482 CA LEU A 34 -0.421 -5.358 -6.205 1.00 0.00 C ATOM 483 C LEU A 34 0.459 -6.351 -5.453 1.00 0.00 C ATOM 484 O LEU A 34 1.685 -6.316 -5.562 1.00 0.00 O ATOM 485 CB LEU A 34 -0.766 -4.176 -5.297 1.00 0.00 C ATOM 486 CG LEU A 34 -0.947 -2.826 -5.993 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.455 -1.783 -5.010 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.361 -2.373 -6.626 1.00 0.00 C ATOM 0 H LEU A 34 -2.500 -5.617 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 34 0.132 -4.994 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.685 -4.412 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.022 -4.075 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.689 -2.942 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.578 -0.829 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.415 -2.103 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.737 -1.668 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.214 -1.411 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.124 -2.273 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.684 -3.110 -7.362 1.00 0.00 H new ATOM 500 N SER A 35 -0.174 -7.238 -4.692 1.00 0.00 N ATOM 501 CA SER A 35 0.551 -8.240 -3.921 1.00 0.00 C ATOM 502 C SER A 35 1.749 -8.767 -4.705 1.00 0.00 C ATOM 503 O SER A 35 2.816 -9.012 -4.141 1.00 0.00 O ATOM 504 CB SER A 35 -0.377 -9.398 -3.548 1.00 0.00 C ATOM 505 OG SER A 35 0.349 -10.469 -2.971 1.00 0.00 O ATOM 0 H SER A 35 -1.188 -7.283 -4.593 1.00 0.00 H new ATOM 0 HA SER A 35 0.915 -7.767 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.135 -9.049 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.902 -9.748 -4.437 1.00 0.00 H new ATOM 0 HG SER A 35 0.769 -10.168 -2.138 1.00 0.00 H new ATOM 511 N LYS A 36 1.565 -8.938 -6.010 1.00 0.00 N ATOM 512 CA LYS A 36 2.629 -9.434 -6.874 1.00 0.00 C ATOM 513 C LYS A 36 3.714 -8.379 -7.062 1.00 0.00 C ATOM 514 O LYS A 36 4.835 -8.535 -6.577 1.00 0.00 O ATOM 515 CB LYS A 36 2.060 -9.843 -8.234 1.00 0.00 C ATOM 516 CG LYS A 36 3.026 -10.658 -9.078 1.00 0.00 C ATOM 517 CD LYS A 36 2.290 -11.584 -10.031 1.00 0.00 C ATOM 518 CE LYS A 36 1.743 -12.806 -9.310 1.00 0.00 C ATOM 519 NZ LYS A 36 0.931 -13.667 -10.215 1.00 0.00 N ATOM 0 H LYS A 36 0.688 -8.740 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 36 3.074 -10.306 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.149 -10.422 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.777 -8.946 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.670 -9.987 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.674 -11.245 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.471 -11.043 -10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.965 -11.901 -10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.570 -13.387 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.131 -12.486 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.576 -14.489 -9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.127 -13.121 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.522 -13.993 -11.006 1.00 0.00 H new ATOM 533 N GLN A 37 3.373 -7.305 -7.767 1.00 0.00 N ATOM 534 CA GLN A 37 4.319 -6.223 -8.017 1.00 0.00 C ATOM 535 C GLN A 37 5.055 -5.837 -6.738 1.00 0.00 C ATOM 536 O GLN A 37 6.286 -5.827 -6.697 1.00 0.00 O ATOM 537 CB GLN A 37 3.593 -5.005 -8.589 1.00 0.00 C ATOM 538 CG GLN A 37 3.312 -5.108 -10.079 1.00 0.00 C ATOM 539 CD GLN A 37 2.069 -4.346 -10.493 1.00 0.00 C ATOM 540 OE1 GLN A 37 0.946 -4.770 -10.217 1.00 0.00 O ATOM 541 NE2 GLN A 37 2.262 -3.214 -11.160 1.00 0.00 N ATOM 0 H GLN A 37 2.449 -7.161 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 37 5.051 -6.575 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.650 -4.872 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.192 -4.114 -8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.169 -4.726 -10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.198 -6.157 -10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.210 -2.900 -11.368 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.462 -2.659 -11.465 1.00 0.00 H new ATOM 550 N LEU A 38 4.294 -5.520 -5.696 1.00 0.00 N ATOM 551 CA LEU A 38 4.874 -5.133 -4.415 1.00 0.00 C ATOM 552 C LEU A 38 5.513 -6.332 -3.721 1.00 0.00 C ATOM 553 O LEU A 38 6.479 -6.187 -2.973 1.00 0.00 O ATOM 554 CB LEU A 38 3.803 -4.518 -3.513 1.00 0.00 C ATOM 555 CG LEU A 38 2.844 -3.534 -4.184 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.812 -3.030 -3.187 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.613 -2.370 -4.792 1.00 0.00 C ATOM 0 H LEU A 38 3.274 -5.523 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 38 5.650 -4.391 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.216 -5.326 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.300 -4.005 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 38 2.321 -4.056 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.138 -2.331 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.239 -3.872 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.318 -2.525 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.914 -1.680 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.163 -1.849 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.313 -2.746 -5.538 1.00 0.00 H new ATOM 569 N ASP A 39 4.967 -7.516 -3.976 1.00 0.00 N ATOM 570 CA ASP A 39 5.484 -8.741 -3.379 1.00 0.00 C ATOM 571 C ASP A 39 5.152 -8.804 -1.892 1.00 0.00 C ATOM 572 O ASP A 39 5.883 -9.408 -1.107 1.00 0.00 O ATOM 573 CB ASP A 39 6.998 -8.832 -3.580 1.00 0.00 C ATOM 574 CG ASP A 39 7.519 -10.247 -3.426 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.726 -11.194 -3.607 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.720 -10.408 -3.122 1.00 0.00 O ATOM 0 H ASP A 39 4.166 -7.653 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 39 5.007 -9.586 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.253 -8.460 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.497 -8.184 -2.859 1.00 0.00 H new ATOM 581 N TRP A 40 4.046 -8.175 -1.511 1.00 0.00 N ATOM 582 CA TRP A 40 3.617 -8.158 -0.117 1.00 0.00 C ATOM 583 C TRP A 40 2.275 -8.862 0.048 1.00 0.00 C ATOM 584 O TRP A 40 1.681 -9.323 -0.927 1.00 0.00 O ATOM 585 CB TRP A 40 3.518 -6.718 0.390 1.00 0.00 C ATOM 586 CG TRP A 40 4.683 -5.866 -0.012 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.935 -6.295 -0.352 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.706 -4.438 -0.114 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.733 -5.220 -0.659 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.003 -4.069 -0.521 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.756 -3.435 0.098 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.371 -2.741 -0.720 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.123 -2.117 -0.099 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.421 -1.780 -0.505 1.00 0.00 C ATOM 0 H TRP A 40 3.430 -7.670 -2.148 1.00 0.00 H new ATOM 0 HA TRP A 40 4.361 -8.693 0.473 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.600 -6.269 0.010 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.442 -6.728 1.477 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.251 -7.328 -0.376 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.711 -5.271 -0.944 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.753 -3.685 0.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.371 -2.479 -1.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.397 -1.334 0.063 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.677 -0.741 -0.651 1.00 0.00 H new ATOM 605 N ASP A 41 1.801 -8.940 1.287 1.00 0.00 N ATOM 606 CA ASP A 41 0.528 -9.587 1.579 1.00 0.00 C ATOM 607 C ASP A 41 -0.634 -8.620 1.368 1.00 0.00 C ATOM 608 O ASP A 41 -0.527 -7.431 1.666 1.00 0.00 O ATOM 609 CB ASP A 41 0.515 -10.112 3.016 1.00 0.00 C ATOM 610 CG ASP A 41 1.171 -11.473 3.140 1.00 0.00 C ATOM 611 OD1 ASP A 41 2.394 -11.566 2.902 1.00 0.00 O ATOM 612 OD2 ASP A 41 0.462 -12.445 3.475 1.00 0.00 O ATOM 0 H ASP A 41 2.280 -8.563 2.105 1.00 0.00 H new ATOM 0 HA ASP A 41 0.410 -10.426 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.031 -9.403 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.515 -10.175 3.368 1.00 0.00 H new ATOM 617 N VAL A 42 -1.743 -9.140 0.850 1.00 0.00 N ATOM 618 CA VAL A 42 -2.924 -8.323 0.599 1.00 0.00 C ATOM 619 C VAL A 42 -3.179 -7.356 1.749 1.00 0.00 C ATOM 620 O VAL A 42 -3.744 -6.279 1.555 1.00 0.00 O ATOM 621 CB VAL A 42 -4.176 -9.196 0.390 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.395 -8.327 0.125 1.00 0.00 C ATOM 623 CG2 VAL A 42 -3.954 -10.180 -0.749 1.00 0.00 C ATOM 0 H VAL A 42 -1.848 -10.122 0.596 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.728 -7.756 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.358 -9.765 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.269 -8.961 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.563 -7.667 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.228 -7.729 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.848 -10.789 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.747 -9.632 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.108 -10.825 -0.513 1.00 0.00 H new ATOM 633 N ARG A 43 -2.758 -7.747 2.948 1.00 0.00 N ATOM 634 CA ARG A 43 -2.941 -6.914 4.131 1.00 0.00 C ATOM 635 C ARG A 43 -1.817 -5.889 4.253 1.00 0.00 C ATOM 636 O ARG A 43 -2.039 -4.761 4.693 1.00 0.00 O ATOM 637 CB ARG A 43 -2.992 -7.783 5.389 1.00 0.00 C ATOM 638 CG ARG A 43 -4.296 -8.548 5.548 1.00 0.00 C ATOM 639 CD ARG A 43 -4.177 -9.641 6.599 1.00 0.00 C ATOM 640 NE ARG A 43 -5.453 -9.912 7.254 1.00 0.00 N ATOM 641 CZ ARG A 43 -6.110 -9.017 7.984 1.00 0.00 C ATOM 642 NH1 ARG A 43 -5.612 -7.799 8.150 1.00 0.00 N ATOM 643 NH2 ARG A 43 -7.266 -9.339 8.549 1.00 0.00 N ATOM 0 H ARG A 43 -2.288 -8.635 3.126 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.886 -6.381 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.165 -8.493 5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.843 -7.150 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.092 -7.858 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.579 -8.990 4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.808 -10.554 6.132 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.441 -9.346 7.347 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.863 -10.840 7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.723 -7.548 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.118 -7.113 8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.652 -10.275 8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.769 -8.651 9.109 1.00 0.00 H new ATOM 657 N SER A 44 -0.612 -6.290 3.862 1.00 0.00 N ATOM 658 CA SER A 44 0.547 -5.408 3.932 1.00 0.00 C ATOM 659 C SER A 44 0.366 -4.199 3.019 1.00 0.00 C ATOM 660 O SER A 44 0.814 -3.097 3.335 1.00 0.00 O ATOM 661 CB SER A 44 1.817 -6.168 3.545 1.00 0.00 C ATOM 662 OG SER A 44 2.048 -7.257 4.423 1.00 0.00 O ATOM 0 H SER A 44 -0.413 -7.220 3.493 1.00 0.00 H new ATOM 0 HA SER A 44 0.642 -5.055 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.728 -6.534 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.671 -5.491 3.568 1.00 0.00 H new ATOM 0 HG SER A 44 2.864 -7.727 4.153 1.00 0.00 H new ATOM 668 N ILE A 45 -0.293 -4.415 1.886 1.00 0.00 N ATOM 669 CA ILE A 45 -0.535 -3.344 0.928 1.00 0.00 C ATOM 670 C ILE A 45 -1.415 -2.255 1.531 1.00 0.00 C ATOM 671 O ILE A 45 -1.021 -1.090 1.593 1.00 0.00 O ATOM 672 CB ILE A 45 -1.203 -3.876 -0.354 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.447 -5.099 -0.880 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.259 -2.786 -1.414 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.043 -5.682 -2.142 1.00 0.00 C ATOM 0 H ILE A 45 -0.669 -5.322 1.609 1.00 0.00 H new ATOM 0 HA ILE A 45 0.438 -2.923 0.674 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.223 -4.177 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.589 -4.820 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.432 -5.867 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.734 -3.177 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.836 -1.942 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.247 -2.457 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.456 -6.545 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.070 -5.992 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.033 -4.929 -2.930 1.00 0.00 H new ATOM 687 N GLN A 46 -2.606 -2.642 1.975 1.00 0.00 N ATOM 688 CA GLN A 46 -3.541 -1.697 2.575 1.00 0.00 C ATOM 689 C GLN A 46 -2.815 -0.723 3.496 1.00 0.00 C ATOM 690 O GLN A 46 -3.037 0.486 3.436 1.00 0.00 O ATOM 691 CB GLN A 46 -4.624 -2.445 3.355 1.00 0.00 C ATOM 692 CG GLN A 46 -5.728 -3.008 2.475 1.00 0.00 C ATOM 693 CD GLN A 46 -7.026 -3.219 3.230 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.727 -2.262 3.561 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.354 -4.475 3.506 1.00 0.00 N ATOM 0 H GLN A 46 -2.947 -3.602 1.931 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.009 -1.128 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.162 -3.261 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.064 -1.769 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.904 -2.329 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.401 -3.957 2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.744 -5.238 3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.217 -4.678 4.011 1.00 0.00 H new ATOM 704 N ARG A 47 -1.947 -1.258 4.349 1.00 0.00 N ATOM 705 CA ARG A 47 -1.189 -0.436 5.284 1.00 0.00 C ATOM 706 C ARG A 47 -0.598 0.783 4.582 1.00 0.00 C ATOM 707 O ARG A 47 -0.622 1.892 5.116 1.00 0.00 O ATOM 708 CB ARG A 47 -0.071 -1.258 5.929 1.00 0.00 C ATOM 709 CG ARG A 47 -0.571 -2.282 6.935 1.00 0.00 C ATOM 710 CD ARG A 47 0.582 -2.961 7.658 1.00 0.00 C ATOM 711 NE ARG A 47 0.124 -4.048 8.519 1.00 0.00 N ATOM 712 CZ ARG A 47 0.933 -4.966 9.036 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.233 -4.928 8.781 1.00 0.00 N ATOM 714 NH2 ARG A 47 0.441 -5.924 9.811 1.00 0.00 N ATOM 0 H ARG A 47 -1.752 -2.257 4.412 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.872 -0.091 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.488 -1.772 5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.625 -0.582 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.220 -1.793 7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.174 -3.032 6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.289 -3.352 6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.118 -2.225 8.257 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.871 -4.105 8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.615 -4.192 8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.852 -5.634 9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.559 -5.956 10.010 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.063 -6.629 10.208 1.00 0.00 H new ATOM 728 N TRP A 48 -0.069 0.569 3.383 1.00 0.00 N ATOM 729 CA TRP A 48 0.528 1.651 2.607 1.00 0.00 C ATOM 730 C TRP A 48 -0.530 2.658 2.172 1.00 0.00 C ATOM 731 O TRP A 48 -0.314 3.868 2.237 1.00 0.00 O ATOM 732 CB TRP A 48 1.250 1.089 1.382 1.00 0.00 C ATOM 733 CG TRP A 48 1.913 2.143 0.547 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.247 2.433 0.501 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.272 3.047 -0.359 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.474 3.463 -0.379 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.278 3.857 -0.920 1.00 0.00 C ATOM 738 CE3 TRP A 48 -0.053 3.251 -0.752 1.00 0.00 C ATOM 739 CZ2 TRP A 48 1.998 4.853 -1.852 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.330 4.240 -1.676 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.692 5.031 -2.218 1.00 0.00 C ATOM 0 H TRP A 48 -0.041 -0.343 2.927 1.00 0.00 H new ATOM 0 HA TRP A 48 1.250 2.164 3.242 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.001 0.370 1.710 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.535 0.544 0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.011 1.927 1.072 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.385 3.869 -0.595 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.847 2.646 -0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.784 5.463 -2.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.351 4.406 -1.986 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.444 5.796 -2.939 1.00 0.00 H new ATOM 752 N PHE A 49 -1.676 2.151 1.728 1.00 0.00 N ATOM 753 CA PHE A 49 -2.768 3.007 1.281 1.00 0.00 C ATOM 754 C PHE A 49 -3.355 3.795 2.449 1.00 0.00 C ATOM 755 O PHE A 49 -3.315 5.025 2.464 1.00 0.00 O ATOM 756 CB PHE A 49 -3.862 2.169 0.617 1.00 0.00 C ATOM 757 CG PHE A 49 -3.638 1.945 -0.851 1.00 0.00 C ATOM 758 CD1 PHE A 49 -3.794 2.984 -1.755 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.270 0.697 -1.328 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.589 2.781 -3.107 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.063 0.488 -2.678 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.221 1.532 -3.569 1.00 0.00 C ATOM 0 H PHE A 49 -1.872 1.152 1.668 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.368 3.713 0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.923 1.203 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.823 2.663 0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.079 3.963 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.143 -0.122 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.716 3.598 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.778 -0.490 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.057 1.372 -4.624 1.00 0.00 H new ATOM 772 N ARG A 50 -3.899 3.076 3.426 1.00 0.00 N ATOM 773 CA ARG A 50 -4.495 3.707 4.598 1.00 0.00 C ATOM 774 C ARG A 50 -3.635 4.870 5.086 1.00 0.00 C ATOM 775 O ARG A 50 -4.153 5.923 5.458 1.00 0.00 O ATOM 776 CB ARG A 50 -4.672 2.683 5.720 1.00 0.00 C ATOM 777 CG ARG A 50 -3.362 2.229 6.343 1.00 0.00 C ATOM 778 CD ARG A 50 -3.598 1.326 7.543 1.00 0.00 C ATOM 779 NE ARG A 50 -4.004 -0.019 7.143 1.00 0.00 N ATOM 780 CZ ARG A 50 -4.652 -0.859 7.943 1.00 0.00 C ATOM 781 NH1 ARG A 50 -4.967 -0.494 9.178 1.00 0.00 N ATOM 782 NH2 ARG A 50 -4.986 -2.067 7.507 1.00 0.00 N ATOM 0 H ARG A 50 -3.939 2.057 3.429 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.473 4.096 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.304 3.114 6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.198 1.813 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.769 1.698 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.783 3.100 6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.687 1.268 8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.367 1.763 8.180 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.778 -0.330 6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.712 0.434 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.464 -1.141 9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.745 -2.351 6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.483 -2.711 8.122 1.00 0.00 H new ATOM 796 N GLN A 51 -2.321 4.670 5.082 1.00 0.00 N ATOM 797 CA GLN A 51 -1.391 5.701 5.525 1.00 0.00 C ATOM 798 C GLN A 51 -1.245 6.793 4.471 1.00 0.00 C ATOM 799 O GLN A 51 -1.162 7.977 4.797 1.00 0.00 O ATOM 800 CB GLN A 51 -0.024 5.087 5.832 1.00 0.00 C ATOM 801 CG GLN A 51 -0.024 4.184 7.055 1.00 0.00 C ATOM 802 CD GLN A 51 -0.094 4.962 8.355 1.00 0.00 C ATOM 803 OE1 GLN A 51 0.637 5.933 8.550 1.00 0.00 O ATOM 804 NE2 GLN A 51 -0.976 4.538 9.252 1.00 0.00 N ATOM 0 H GLN A 51 -1.877 3.804 4.777 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.793 6.150 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.310 4.514 4.967 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.700 5.888 5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.872 3.502 6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.878 3.572 7.050 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.562 3.728 9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.068 5.022 10.145 1.00 0.00 H new ATOM 813 N ARG A 52 -1.215 6.387 3.206 1.00 0.00 N ATOM 814 CA ARG A 52 -1.077 7.331 2.103 1.00 0.00 C ATOM 815 C ARG A 52 -2.077 8.475 2.240 1.00 0.00 C ATOM 816 O ARG A 52 -1.693 9.641 2.331 1.00 0.00 O ATOM 817 CB ARG A 52 -1.281 6.618 0.765 1.00 0.00 C ATOM 818 CG ARG A 52 -1.358 7.563 -0.423 1.00 0.00 C ATOM 819 CD ARG A 52 0.023 8.046 -0.841 1.00 0.00 C ATOM 820 NE ARG A 52 -0.002 8.717 -2.137 1.00 0.00 N ATOM 821 CZ ARG A 52 -0.525 9.923 -2.331 1.00 0.00 C ATOM 822 NH1 ARG A 52 -1.065 10.585 -1.317 1.00 0.00 N ATOM 823 NH2 ARG A 52 -0.509 10.468 -3.541 1.00 0.00 N ATOM 0 H ARG A 52 -1.284 5.411 2.919 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.069 7.746 2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.462 5.917 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.198 6.031 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.837 7.057 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.983 8.419 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.412 8.729 -0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.706 7.198 -0.885 1.00 0.00 H new ATOM 0 HE ARG A 52 0.404 8.233 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.079 10.169 -0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.466 11.511 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.095 9.961 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.911 11.394 -3.689 1.00 0.00 H new ATOM 837 N ARG A 53 -3.361 8.134 2.252 1.00 0.00 N ATOM 838 CA ARG A 53 -4.416 9.132 2.376 1.00 0.00 C ATOM 839 C ARG A 53 -4.209 9.991 3.620 1.00 0.00 C ATOM 840 O ARG A 53 -4.244 11.219 3.551 1.00 0.00 O ATOM 841 CB ARG A 53 -5.786 8.454 2.434 1.00 0.00 C ATOM 842 CG ARG A 53 -6.139 7.685 1.171 1.00 0.00 C ATOM 843 CD ARG A 53 -7.585 7.216 1.190 1.00 0.00 C ATOM 844 NE ARG A 53 -7.793 6.120 2.133 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.442 4.863 1.887 1.00 0.00 C ATOM 846 NH1 ARG A 53 -6.868 4.544 0.735 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.664 3.921 2.795 1.00 0.00 N ATOM 0 H ARG A 53 -3.696 7.173 2.177 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.375 9.777 1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.808 7.771 3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.549 9.211 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.972 8.318 0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.478 6.824 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.233 8.051 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.875 6.894 0.190 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.232 6.332 3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.695 5.265 0.035 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.600 3.578 0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.105 4.162 3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.394 2.956 2.605 1.00 0.00 H new ATOM 861 N ASN A 54 -3.994 9.336 4.756 1.00 0.00 N ATOM 862 CA ASN A 54 -3.782 10.039 6.016 1.00 0.00 C ATOM 863 C ASN A 54 -2.746 11.147 5.853 1.00 0.00 C ATOM 864 O ASN A 54 -2.986 12.294 6.227 1.00 0.00 O ATOM 865 CB ASN A 54 -3.332 9.060 7.101 1.00 0.00 C ATOM 866 CG ASN A 54 -4.500 8.463 7.863 1.00 0.00 C ATOM 867 OD1 ASN A 54 -5.641 8.507 7.404 1.00 0.00 O ATOM 868 ND2 ASN A 54 -4.218 7.901 9.033 1.00 0.00 N ATOM 0 H ASN A 54 -3.962 8.319 4.830 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.728 10.491 6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.752 8.258 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.671 9.574 7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.963 7.483 9.590 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.257 7.888 9.374 1.00 0.00 H new