USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 432 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 36 SER OG : rot 82:sc= 1.53 USER MOD Set 1.2: A 53 HIS : no HE2:sc= -0.254 K(o=1.3,f=-0.89) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.049) USER MOD Single : A 18 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.16) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 27 GLN : amide:sc= -0.0954 X(o=-0.095,f=-0.38) USER MOD Single : A 30 GLN : amide:sc= -0.889 K(o=-0.89,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.205) USER MOD Single : A 56 MET CE :methyl -131:sc= -0.883 (180deg=-2.56!) USER MOD ----------------------------------------------------------------- ATOM 75 N ARG A 5 -7.404 2.559 -2.757 1.00 0.00 N ATOM 76 CA ARG A 5 -8.486 2.736 -1.767 1.00 0.00 C ATOM 77 C ARG A 5 -7.925 3.063 -0.373 1.00 0.00 C ATOM 78 O ARG A 5 -8.480 3.904 0.337 1.00 0.00 O ATOM 79 CB ARG A 5 -9.387 1.473 -1.703 1.00 0.00 C ATOM 80 CG ARG A 5 -10.167 1.184 -3.004 1.00 0.00 C ATOM 81 CD ARG A 5 -11.102 -0.033 -2.885 1.00 0.00 C ATOM 82 NE ARG A 5 -12.066 -0.126 -3.999 1.00 0.00 N ATOM 83 CZ ARG A 5 -13.102 -0.976 -4.039 1.00 0.00 C ATOM 84 NH1 ARG A 5 -13.290 -1.864 -3.064 1.00 0.00 N ATOM 85 NH2 ARG A 5 -13.944 -0.930 -5.054 1.00 0.00 N ATOM 0 HA ARG A 5 -9.092 3.581 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.766 0.609 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.098 1.589 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.755 2.062 -3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.459 1.014 -3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.503 -0.943 -2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.647 0.024 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.935 0.500 -4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.642 -1.902 -2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.082 -2.506 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.805 -0.251 -5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.734 -1.574 -5.091 1.00 0.00 H new ATOM 99 N LEU A 6 -6.805 2.413 -0.015 1.00 0.00 N ATOM 100 CA LEU A 6 -6.134 2.636 1.277 1.00 0.00 C ATOM 101 C LEU A 6 -5.517 4.055 1.315 1.00 0.00 C ATOM 102 O LEU A 6 -5.629 4.742 2.326 1.00 0.00 O ATOM 103 CB LEU A 6 -5.076 1.514 1.527 1.00 0.00 C ATOM 104 CG LEU A 6 -4.402 1.410 2.948 1.00 0.00 C ATOM 105 CD1 LEU A 6 -3.267 2.433 3.153 1.00 0.00 C ATOM 106 CD2 LEU A 6 -5.451 1.497 4.080 1.00 0.00 C ATOM 0 H LEU A 6 -6.342 1.724 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.860 2.581 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.554 0.557 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.280 1.641 0.793 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.938 0.425 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.843 2.311 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.490 2.269 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.664 3.443 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.951 1.422 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.977 2.450 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.166 0.681 3.977 1.00 0.00 H new ATOM 118 N ASN A 7 -4.888 4.489 0.206 1.00 0.00 N ATOM 119 CA ASN A 7 -4.249 5.828 0.123 1.00 0.00 C ATOM 120 C ASN A 7 -5.290 6.962 0.247 1.00 0.00 C ATOM 121 O ASN A 7 -5.105 7.918 1.020 1.00 0.00 O ATOM 122 CB ASN A 7 -3.448 6.000 -1.195 1.00 0.00 C ATOM 123 CG ASN A 7 -2.229 5.081 -1.273 1.00 0.00 C ATOM 124 OD1 ASN A 7 -1.155 5.423 -0.797 1.00 0.00 O ATOM 125 ND2 ASN A 7 -2.379 3.914 -1.880 1.00 0.00 N ATOM 0 H ASN A 7 -4.806 3.936 -0.647 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.557 5.894 0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.104 5.798 -2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.122 7.036 -1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.588 3.275 -1.960 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.286 3.654 -2.268 1.00 0.00 H new ATOM 132 N GLU A 8 -6.395 6.827 -0.502 1.00 0.00 N ATOM 133 CA GLU A 8 -7.417 7.880 -0.629 1.00 0.00 C ATOM 134 C GLU A 8 -8.306 7.969 0.627 1.00 0.00 C ATOM 135 O GLU A 8 -8.742 9.064 0.990 1.00 0.00 O ATOM 136 CB GLU A 8 -8.242 7.684 -1.925 1.00 0.00 C ATOM 137 CG GLU A 8 -8.954 6.331 -2.051 1.00 0.00 C ATOM 138 CD GLU A 8 -9.504 6.076 -3.462 1.00 0.00 C ATOM 139 OE1 GLU A 8 -10.536 6.665 -3.819 1.00 0.00 O ATOM 140 OE2 GLU A 8 -8.865 5.332 -4.240 1.00 0.00 O ATOM 0 H GLU A 8 -6.606 5.985 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.908 8.840 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.989 8.476 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.578 7.808 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.259 5.534 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.774 6.289 -1.334 1.00 0.00 H new ATOM 147 N VAL A 9 -8.545 6.834 1.332 1.00 0.00 N ATOM 148 CA VAL A 9 -9.190 6.909 2.670 1.00 0.00 C ATOM 149 C VAL A 9 -8.234 7.625 3.652 1.00 0.00 C ATOM 150 O VAL A 9 -8.654 8.497 4.389 1.00 0.00 O ATOM 151 CB VAL A 9 -9.692 5.524 3.258 1.00 0.00 C ATOM 152 CG1 VAL A 9 -10.775 4.885 2.353 1.00 0.00 C ATOM 153 CG2 VAL A 9 -8.528 4.541 3.531 1.00 0.00 C ATOM 0 H VAL A 9 -8.313 5.893 1.015 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.107 7.483 2.538 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.150 5.740 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.097 3.937 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.629 5.558 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.362 4.709 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.926 3.609 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.997 4.338 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.840 4.983 4.252 1.00 0.00 H new ATOM 163 N ILE A 10 -6.923 7.319 3.588 1.00 0.00 N ATOM 164 CA ILE A 10 -5.891 8.024 4.395 1.00 0.00 C ATOM 165 C ILE A 10 -5.708 9.505 3.921 1.00 0.00 C ATOM 166 O ILE A 10 -5.035 10.291 4.573 1.00 0.00 O ATOM 167 CB ILE A 10 -4.530 7.203 4.408 1.00 0.00 C ATOM 168 CG1 ILE A 10 -4.754 5.805 5.074 1.00 0.00 C ATOM 169 CG2 ILE A 10 -3.354 7.943 5.108 1.00 0.00 C ATOM 170 CD1 ILE A 10 -5.236 5.854 6.521 1.00 0.00 C ATOM 0 H ILE A 10 -6.547 6.587 2.986 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.236 8.079 5.428 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.237 7.084 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.481 5.249 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.819 5.246 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.461 7.319 5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.158 8.884 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.618 8.146 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.363 4.839 6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.501 6.378 7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.189 6.380 6.569 1.00 0.00 H new ATOM 182 N GLU A 11 -6.334 9.904 2.798 1.00 0.00 N ATOM 183 CA GLU A 11 -6.404 11.335 2.430 1.00 0.00 C ATOM 184 C GLU A 11 -7.476 12.079 3.273 1.00 0.00 C ATOM 185 O GLU A 11 -7.139 12.942 4.084 1.00 0.00 O ATOM 186 CB GLU A 11 -6.676 11.520 0.905 1.00 0.00 C ATOM 187 CG GLU A 11 -5.493 11.145 -0.016 1.00 0.00 C ATOM 188 CD GLU A 11 -4.271 12.067 0.166 1.00 0.00 C ATOM 189 OE1 GLU A 11 -4.321 13.235 -0.292 1.00 0.00 O ATOM 190 OE2 GLU A 11 -3.262 11.641 0.769 1.00 0.00 O ATOM 0 H GLU A 11 -6.791 9.272 2.140 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.432 11.775 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.539 10.915 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.945 12.560 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.197 10.115 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.821 11.187 -1.055 1.00 0.00 H new ATOM 197 N LEU A 12 -8.768 11.702 3.129 1.00 0.00 N ATOM 198 CA LEU A 12 -9.907 12.512 3.707 1.00 0.00 C ATOM 199 C LEU A 12 -10.413 11.985 5.071 1.00 0.00 C ATOM 200 O LEU A 12 -11.199 12.648 5.762 1.00 0.00 O ATOM 201 CB LEU A 12 -11.107 12.698 2.689 1.00 0.00 C ATOM 202 CG LEU A 12 -11.449 11.564 1.657 1.00 0.00 C ATOM 203 CD1 LEU A 12 -10.484 11.580 0.458 1.00 0.00 C ATOM 204 CD2 LEU A 12 -11.521 10.171 2.317 1.00 0.00 C ATOM 0 H LEU A 12 -9.062 10.862 2.631 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.477 13.496 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.006 12.881 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.910 13.606 2.119 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.447 11.777 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.751 10.782 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.553 12.541 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.464 11.428 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.760 9.422 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.559 9.934 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.295 10.172 3.085 1.00 0.00 H new ATOM 216 N LEU A 13 -9.963 10.795 5.437 1.00 0.00 N ATOM 217 CA LEU A 13 -10.356 10.088 6.676 1.00 0.00 C ATOM 218 C LEU A 13 -9.150 9.978 7.636 1.00 0.00 C ATOM 219 O LEU A 13 -9.286 9.447 8.745 1.00 0.00 O ATOM 220 CB LEU A 13 -11.004 8.714 6.259 1.00 0.00 C ATOM 221 CG LEU A 13 -10.971 7.483 7.239 1.00 0.00 C ATOM 222 CD1 LEU A 13 -12.258 6.634 7.132 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.725 6.595 6.981 1.00 0.00 C ATOM 0 H LEU A 13 -9.295 10.268 4.874 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.106 10.638 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.050 8.910 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.523 8.400 5.332 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.911 7.883 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.198 5.794 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.122 7.250 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.363 6.259 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.729 5.753 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.749 6.223 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.821 7.184 7.132 1.00 0.00 H new ATOM 235 N GLN A 14 -7.996 10.574 7.220 1.00 0.00 N ATOM 236 CA GLN A 14 -6.714 10.536 7.968 1.00 0.00 C ATOM 237 C GLN A 14 -6.922 10.808 9.493 1.00 0.00 C ATOM 238 O GLN A 14 -6.577 9.940 10.290 1.00 0.00 O ATOM 239 CB GLN A 14 -5.668 11.546 7.371 1.00 0.00 C ATOM 240 CG GLN A 14 -4.177 11.105 7.411 1.00 0.00 C ATOM 241 CD GLN A 14 -3.694 10.505 8.735 1.00 0.00 C ATOM 242 OE1 GLN A 14 -3.246 11.211 9.631 1.00 0.00 O ATOM 243 NE2 GLN A 14 -3.768 9.185 8.852 1.00 0.00 N ATOM 0 H GLN A 14 -7.934 11.098 6.347 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.317 9.527 7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.938 11.743 6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.759 12.490 7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.013 10.372 6.621 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.556 11.970 7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.146 8.626 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.447 8.730 9.706 1.00 0.00 H new ATOM 252 N PRO A 15 -7.528 11.984 9.934 1.00 0.00 N ATOM 253 CA PRO A 15 -7.701 12.258 11.380 1.00 0.00 C ATOM 254 C PRO A 15 -8.756 11.341 12.016 1.00 0.00 C ATOM 255 O PRO A 15 -8.550 10.827 13.122 1.00 0.00 O ATOM 256 CB PRO A 15 -8.119 13.749 11.422 1.00 0.00 C ATOM 257 CG PRO A 15 -8.799 13.993 10.102 1.00 0.00 C ATOM 258 CD PRO A 15 -8.085 13.110 9.099 1.00 0.00 C ATOM 0 HA PRO A 15 -6.796 12.064 11.956 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.791 13.948 12.256 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.253 14.399 11.548 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.859 13.745 10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.732 15.043 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.769 12.740 8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.294 13.653 8.582 1.00 0.00 H new ATOM 266 N ALA A 16 -9.851 11.107 11.262 1.00 0.00 N ATOM 267 CA ALA A 16 -11.037 10.381 11.742 1.00 0.00 C ATOM 268 C ALA A 16 -10.670 8.972 12.229 1.00 0.00 C ATOM 269 O ALA A 16 -10.990 8.595 13.368 1.00 0.00 O ATOM 270 CB ALA A 16 -12.101 10.326 10.629 1.00 0.00 C ATOM 0 H ALA A 16 -9.933 11.421 10.295 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.451 10.918 12.596 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.977 9.787 10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.388 11.340 10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.692 9.812 9.759 1.00 0.00 H new ATOM 276 N TRP A 17 -9.977 8.204 11.368 1.00 0.00 N ATOM 277 CA TRP A 17 -9.543 6.826 11.697 1.00 0.00 C ATOM 278 C TRP A 17 -8.477 6.824 12.810 1.00 0.00 C ATOM 279 O TRP A 17 -8.439 5.911 13.627 1.00 0.00 O ATOM 280 CB TRP A 17 -9.013 6.113 10.424 1.00 0.00 C ATOM 281 CG TRP A 17 -8.938 4.599 10.494 1.00 0.00 C ATOM 282 CD1 TRP A 17 -9.434 3.774 11.471 1.00 0.00 C ATOM 283 CD2 TRP A 17 -8.358 3.737 9.511 1.00 0.00 C ATOM 284 NE1 TRP A 17 -9.183 2.467 11.154 1.00 0.00 N ATOM 285 CE2 TRP A 17 -8.524 2.415 9.958 1.00 0.00 C ATOM 286 CE3 TRP A 17 -7.714 3.956 8.294 1.00 0.00 C ATOM 287 CZ2 TRP A 17 -8.064 1.325 9.232 1.00 0.00 C ATOM 288 CZ3 TRP A 17 -7.257 2.874 7.574 1.00 0.00 C ATOM 289 CH2 TRP A 17 -7.437 1.570 8.042 1.00 0.00 C ATOM 0 H TRP A 17 -9.703 8.512 10.435 1.00 0.00 H new ATOM 0 HA TRP A 17 -10.408 6.278 12.071 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.652 6.387 9.585 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -8.017 6.497 10.204 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.948 4.107 12.361 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.446 1.660 11.720 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.575 4.960 7.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.197 0.317 9.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.752 3.036 6.633 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.074 0.740 7.453 1.00 0.00 H new ATOM 300 N GLN A 18 -7.627 7.862 12.850 1.00 0.00 N ATOM 301 CA GLN A 18 -6.557 7.971 13.874 1.00 0.00 C ATOM 302 C GLN A 18 -7.095 8.389 15.255 1.00 0.00 C ATOM 303 O GLN A 18 -6.340 8.403 16.235 1.00 0.00 O ATOM 304 CB GLN A 18 -5.417 8.911 13.400 1.00 0.00 C ATOM 305 CG GLN A 18 -4.657 8.406 12.157 1.00 0.00 C ATOM 306 CD GLN A 18 -4.119 6.980 12.312 1.00 0.00 C ATOM 307 OE1 GLN A 18 -3.009 6.776 12.788 1.00 0.00 O ATOM 308 NE2 GLN A 18 -4.908 5.986 11.905 1.00 0.00 N ATOM 0 H GLN A 18 -7.653 8.640 12.190 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.140 6.971 13.996 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.838 9.892 13.181 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.707 9.044 14.217 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.321 8.444 11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.826 9.080 11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.827 6.192 11.513 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.593 5.019 11.985 1.00 0.00 H new ATOM 317 N LYS A 19 -8.395 8.725 15.332 1.00 0.00 N ATOM 318 CA LYS A 19 -9.077 8.913 16.630 1.00 0.00 C ATOM 319 C LYS A 19 -9.312 7.565 17.338 1.00 0.00 C ATOM 320 O LYS A 19 -9.405 7.520 18.573 1.00 0.00 O ATOM 321 CB LYS A 19 -10.399 9.699 16.466 1.00 0.00 C ATOM 322 CG LYS A 19 -10.239 11.085 15.799 1.00 0.00 C ATOM 323 CD LYS A 19 -9.050 11.891 16.374 1.00 0.00 C ATOM 324 CE LYS A 19 -8.894 13.276 15.736 1.00 0.00 C ATOM 325 NZ LYS A 19 -7.740 14.017 16.300 1.00 0.00 N ATOM 0 H LYS A 19 -8.993 8.872 14.519 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.419 9.509 17.262 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.092 9.102 15.873 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.853 9.832 17.448 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.098 10.953 14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.158 11.656 15.932 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.184 12.007 17.450 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.130 11.325 16.227 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.765 13.167 14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.806 13.852 15.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.668 14.948 15.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.875 14.143 17.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.866 13.480 16.130 1.00 0.00 H new ATOM 339 N GLU A 20 -9.394 6.470 16.553 1.00 0.00 N ATOM 340 CA GLU A 20 -9.367 5.098 17.086 1.00 0.00 C ATOM 341 C GLU A 20 -9.095 4.097 15.944 1.00 0.00 C ATOM 342 O GLU A 20 -10.032 3.593 15.315 1.00 0.00 O ATOM 343 CB GLU A 20 -10.672 4.741 17.863 1.00 0.00 C ATOM 344 CG GLU A 20 -10.566 3.453 18.710 1.00 0.00 C ATOM 345 CD GLU A 20 -11.733 3.275 19.698 1.00 0.00 C ATOM 346 OE1 GLU A 20 -11.978 4.195 20.510 1.00 0.00 O ATOM 347 OE2 GLU A 20 -12.416 2.230 19.672 1.00 0.00 O ATOM 0 H GLU A 20 -9.480 6.515 15.538 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.554 5.033 17.810 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.933 5.573 18.517 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.488 4.628 17.150 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.528 2.591 18.044 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.628 3.468 19.265 1.00 0.00 H new ATOM 354 N PRO A 21 -7.780 3.833 15.611 1.00 0.00 N ATOM 355 CA PRO A 21 -7.396 2.843 14.573 1.00 0.00 C ATOM 356 C PRO A 21 -7.516 1.375 15.061 1.00 0.00 C ATOM 357 O PRO A 21 -7.082 0.450 14.364 1.00 0.00 O ATOM 358 CB PRO A 21 -5.932 3.240 14.244 1.00 0.00 C ATOM 359 CG PRO A 21 -5.405 3.807 15.527 1.00 0.00 C ATOM 360 CD PRO A 21 -6.575 4.521 16.176 1.00 0.00 C ATOM 0 HA PRO A 21 -8.054 2.869 13.704 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.349 2.378 13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.890 3.973 13.438 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.021 3.018 16.174 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.581 4.496 15.341 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.541 4.437 17.262 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.575 5.585 15.938 1.00 0.00 H new ATOM 368 N ASP A 22 -8.091 1.187 16.272 1.00 0.00 N ATOM 369 CA ASP A 22 -8.473 -0.144 16.806 1.00 0.00 C ATOM 370 C ASP A 22 -9.517 -0.814 15.891 1.00 0.00 C ATOM 371 O ASP A 22 -9.563 -2.045 15.767 1.00 0.00 O ATOM 372 CB ASP A 22 -9.031 -0.002 18.249 1.00 0.00 C ATOM 373 CG ASP A 22 -9.414 -1.349 18.908 1.00 0.00 C ATOM 374 OD1 ASP A 22 -8.499 -2.148 19.238 1.00 0.00 O ATOM 375 OD2 ASP A 22 -10.624 -1.614 19.100 1.00 0.00 O ATOM 0 H ASP A 22 -8.304 1.955 16.909 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.585 -0.775 16.834 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.285 0.496 18.869 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.909 0.643 18.227 1.00 0.00 H new ATOM 380 N PHE A 23 -10.363 0.023 15.266 1.00 0.00 N ATOM 381 CA PHE A 23 -11.253 -0.408 14.183 1.00 0.00 C ATOM 382 C PHE A 23 -10.417 -0.753 12.935 1.00 0.00 C ATOM 383 O PHE A 23 -9.452 -0.052 12.621 1.00 0.00 O ATOM 384 CB PHE A 23 -12.267 0.704 13.831 1.00 0.00 C ATOM 385 CG PHE A 23 -13.196 1.124 14.972 1.00 0.00 C ATOM 386 CD1 PHE A 23 -14.260 0.313 15.360 1.00 0.00 C ATOM 387 CD2 PHE A 23 -13.007 2.326 15.652 1.00 0.00 C ATOM 388 CE1 PHE A 23 -15.108 0.698 16.388 1.00 0.00 C ATOM 389 CE2 PHE A 23 -13.856 2.707 16.673 1.00 0.00 C ATOM 390 CZ PHE A 23 -14.903 1.890 17.043 1.00 0.00 C ATOM 0 H PHE A 23 -10.446 1.013 15.499 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.803 -1.288 14.516 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.716 1.581 13.491 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.877 0.366 12.993 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -14.427 -0.627 14.854 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.184 2.969 15.376 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -15.931 0.060 16.675 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.699 3.646 17.182 1.00 0.00 H new ATOM 0 HZ PHE A 23 -15.562 2.186 17.846 1.00 0.00 H new ATOM 400 N ASN A 24 -10.780 -1.848 12.246 1.00 0.00 N ATOM 401 CA ASN A 24 -10.151 -2.247 10.961 1.00 0.00 C ATOM 402 C ASN A 24 -10.644 -1.346 9.805 1.00 0.00 C ATOM 403 O ASN A 24 -11.386 -0.380 10.040 1.00 0.00 O ATOM 404 CB ASN A 24 -10.450 -3.745 10.668 1.00 0.00 C ATOM 405 CG ASN A 24 -9.901 -4.692 11.739 1.00 0.00 C ATOM 406 OD1 ASN A 24 -8.850 -4.448 12.329 1.00 0.00 O ATOM 407 ND2 ASN A 24 -10.618 -5.774 12.012 1.00 0.00 N ATOM 0 H ASN A 24 -11.514 -2.484 12.557 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.072 -2.118 11.043 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.528 -3.884 10.588 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.021 -4.012 9.702 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.301 -6.429 12.727 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.486 -5.951 11.507 1.00 0.00 H new ATOM 414 N LEU A 25 -10.218 -1.664 8.558 1.00 0.00 N ATOM 415 CA LEU A 25 -10.548 -0.849 7.367 1.00 0.00 C ATOM 416 C LEU A 25 -12.078 -0.788 7.179 1.00 0.00 C ATOM 417 O LEU A 25 -12.662 0.283 7.276 1.00 0.00 O ATOM 418 CB LEU A 25 -9.798 -1.409 6.107 1.00 0.00 C ATOM 419 CG LEU A 25 -9.768 -0.526 4.793 1.00 0.00 C ATOM 420 CD1 LEU A 25 -11.018 -0.710 3.917 1.00 0.00 C ATOM 421 CD2 LEU A 25 -9.530 0.969 5.106 1.00 0.00 C ATOM 0 H LEU A 25 -9.644 -2.482 8.353 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.204 0.176 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.766 -1.608 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.248 -2.368 5.852 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.919 -0.889 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.938 -0.079 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.099 -1.754 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.905 -0.428 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.517 1.538 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.331 1.339 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.574 1.086 5.617 1.00 0.00 H new ATOM 433 N LEU A 26 -12.732 -1.949 7.019 1.00 0.00 N ATOM 434 CA LEU A 26 -14.204 -2.010 6.850 1.00 0.00 C ATOM 435 C LEU A 26 -14.956 -1.664 8.163 1.00 0.00 C ATOM 436 O LEU A 26 -16.094 -1.196 8.108 1.00 0.00 O ATOM 437 CB LEU A 26 -14.665 -3.399 6.297 1.00 0.00 C ATOM 438 CG LEU A 26 -14.531 -3.638 4.756 1.00 0.00 C ATOM 439 CD1 LEU A 26 -15.314 -2.582 3.946 1.00 0.00 C ATOM 440 CD2 LEU A 26 -13.059 -3.729 4.316 1.00 0.00 C ATOM 0 H LEU A 26 -12.272 -2.859 7.002 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.464 -1.251 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.093 -4.173 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.710 -3.541 6.571 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.984 -4.606 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.197 -2.781 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.370 -2.630 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.928 -1.589 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.011 -3.895 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.547 -2.799 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.575 -4.558 4.833 1.00 0.00 H new ATOM 452 N GLN A 27 -14.307 -1.877 9.326 1.00 0.00 N ATOM 453 CA GLN A 27 -14.944 -1.669 10.649 1.00 0.00 C ATOM 454 C GLN A 27 -15.170 -0.180 10.955 1.00 0.00 C ATOM 455 O GLN A 27 -16.263 0.209 11.371 1.00 0.00 O ATOM 456 CB GLN A 27 -14.118 -2.335 11.776 1.00 0.00 C ATOM 457 CG GLN A 27 -14.060 -3.871 11.688 1.00 0.00 C ATOM 458 CD GLN A 27 -15.430 -4.549 11.773 1.00 0.00 C ATOM 459 OE1 GLN A 27 -16.349 -4.056 12.427 1.00 0.00 O ATOM 460 NE2 GLN A 27 -15.571 -5.693 11.121 1.00 0.00 N ATOM 0 H GLN A 27 -13.339 -2.194 9.379 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.923 -2.147 10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.102 -1.941 11.748 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.543 -2.053 12.739 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.583 -4.154 10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.428 -4.248 12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.790 -6.076 10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.460 -6.191 11.152 1.00 0.00 H new ATOM 469 N PHE A 28 -14.145 0.664 10.749 1.00 0.00 N ATOM 470 CA PHE A 28 -14.292 2.117 10.975 1.00 0.00 C ATOM 471 C PHE A 28 -15.225 2.717 9.911 1.00 0.00 C ATOM 472 O PHE A 28 -16.027 3.622 10.185 1.00 0.00 O ATOM 473 CB PHE A 28 -12.929 2.845 10.967 1.00 0.00 C ATOM 474 CG PHE A 28 -13.068 4.312 11.368 1.00 0.00 C ATOM 475 CD1 PHE A 28 -13.269 4.660 12.702 1.00 0.00 C ATOM 476 CD2 PHE A 28 -13.068 5.329 10.414 1.00 0.00 C ATOM 477 CE1 PHE A 28 -13.471 5.977 13.070 1.00 0.00 C ATOM 478 CE2 PHE A 28 -13.262 6.646 10.784 1.00 0.00 C ATOM 479 CZ PHE A 28 -13.467 6.967 12.111 1.00 0.00 C ATOM 0 H PHE A 28 -13.220 0.375 10.432 1.00 0.00 H new ATOM 0 HA PHE A 28 -14.728 2.259 11.964 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.245 2.344 11.652 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.488 2.780 9.972 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.267 3.890 13.459 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -12.915 5.084 9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.632 6.230 14.108 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -13.253 7.424 10.035 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.625 7.996 12.398 1.00 0.00 H new ATOM 489 N LEU A 29 -15.086 2.188 8.700 1.00 0.00 N ATOM 490 CA LEU A 29 -15.886 2.583 7.537 1.00 0.00 C ATOM 491 C LEU A 29 -17.390 2.292 7.752 1.00 0.00 C ATOM 492 O LEU A 29 -18.235 3.073 7.319 1.00 0.00 O ATOM 493 CB LEU A 29 -15.325 1.890 6.260 1.00 0.00 C ATOM 494 CG LEU A 29 -14.205 2.665 5.488 1.00 0.00 C ATOM 495 CD1 LEU A 29 -13.088 3.201 6.412 1.00 0.00 C ATOM 496 CD2 LEU A 29 -13.638 1.794 4.346 1.00 0.00 C ATOM 0 H LEU A 29 -14.403 1.460 8.491 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.807 3.662 7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.932 0.914 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.154 1.713 5.574 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.670 3.549 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.344 3.728 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.518 3.886 7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.614 2.368 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.860 2.347 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.215 0.879 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.438 1.540 3.650 1.00 0.00 H new ATOM 508 N GLN A 30 -17.709 1.183 8.455 1.00 0.00 N ATOM 509 CA GLN A 30 -19.101 0.807 8.757 1.00 0.00 C ATOM 510 C GLN A 30 -19.675 1.703 9.869 1.00 0.00 C ATOM 511 O GLN A 30 -20.876 1.966 9.880 1.00 0.00 O ATOM 512 CB GLN A 30 -19.192 -0.703 9.126 1.00 0.00 C ATOM 513 CG GLN A 30 -18.932 -1.076 10.605 1.00 0.00 C ATOM 514 CD GLN A 30 -20.213 -1.256 11.433 1.00 0.00 C ATOM 515 OE1 GLN A 30 -21.178 -1.851 10.968 1.00 0.00 O ATOM 516 NE2 GLN A 30 -20.258 -0.659 12.606 1.00 0.00 N ATOM 0 H GLN A 30 -17.015 0.532 8.824 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.708 0.963 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -20.186 -1.060 8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -18.478 -1.248 8.508 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.354 -2.000 10.641 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.320 -0.299 11.064 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -19.435 -0.173 12.963 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -21.115 -0.683 13.158 1.00 0.00 H new ATOM 525 N LYS A 31 -18.809 2.162 10.808 1.00 0.00 N ATOM 526 CA LYS A 31 -19.218 3.104 11.880 1.00 0.00 C ATOM 527 C LYS A 31 -19.788 4.383 11.245 1.00 0.00 C ATOM 528 O LYS A 31 -20.947 4.761 11.485 1.00 0.00 O ATOM 529 CB LYS A 31 -18.015 3.462 12.805 1.00 0.00 C ATOM 530 CG LYS A 31 -17.358 2.261 13.524 1.00 0.00 C ATOM 531 CD LYS A 31 -18.266 1.582 14.573 1.00 0.00 C ATOM 532 CE LYS A 31 -18.606 2.508 15.747 1.00 0.00 C ATOM 533 NZ LYS A 31 -19.371 1.809 16.805 1.00 0.00 N ATOM 0 H LYS A 31 -17.825 1.895 10.844 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.981 2.622 12.491 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.256 3.967 12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.355 4.174 13.557 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.065 1.521 12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.445 2.599 14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.189 1.256 14.093 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.771 0.688 14.952 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.685 2.908 16.171 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.185 3.357 15.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.579 2.472 17.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.262 1.449 16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.809 1.014 17.172 1.00 0.00 H new ATOM 547 N LEU A 32 -18.975 4.985 10.362 1.00 0.00 N ATOM 548 CA LEU A 32 -19.306 6.250 9.706 1.00 0.00 C ATOM 549 C LEU A 32 -20.413 6.058 8.642 1.00 0.00 C ATOM 550 O LEU A 32 -21.195 6.978 8.391 1.00 0.00 O ATOM 551 CB LEU A 32 -18.010 6.906 9.134 1.00 0.00 C ATOM 552 CG LEU A 32 -17.357 6.253 7.868 1.00 0.00 C ATOM 553 CD1 LEU A 32 -17.975 6.792 6.554 1.00 0.00 C ATOM 554 CD2 LEU A 32 -15.820 6.417 7.877 1.00 0.00 C ATOM 0 H LEU A 32 -18.070 4.604 10.086 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.720 6.940 10.441 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.238 7.945 8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.263 6.918 9.927 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.576 5.186 7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.493 6.313 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.043 6.573 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.825 7.870 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.399 5.953 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.567 7.477 7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.408 5.937 8.765 1.00 0.00 H new ATOM 566 N ALA A 33 -20.467 4.855 8.025 1.00 0.00 N ATOM 567 CA ALA A 33 -21.458 4.533 6.974 1.00 0.00 C ATOM 568 C ALA A 33 -22.869 4.443 7.566 1.00 0.00 C ATOM 569 O ALA A 33 -23.806 5.068 7.061 1.00 0.00 O ATOM 570 CB ALA A 33 -21.102 3.217 6.267 1.00 0.00 C ATOM 0 H ALA A 33 -19.831 4.087 8.240 1.00 0.00 H new ATOM 0 HA ALA A 33 -21.436 5.339 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -21.846 3.004 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -20.119 3.307 5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -21.088 2.405 6.994 1.00 0.00 H new ATOM 576 N LYS A 34 -23.000 3.660 8.646 1.00 0.00 N ATOM 577 CA LYS A 34 -24.294 3.407 9.301 1.00 0.00 C ATOM 578 C LYS A 34 -24.871 4.692 9.933 1.00 0.00 C ATOM 579 O LYS A 34 -26.088 4.905 9.896 1.00 0.00 O ATOM 580 CB LYS A 34 -24.173 2.289 10.364 1.00 0.00 C ATOM 581 CG LYS A 34 -23.842 0.893 9.790 1.00 0.00 C ATOM 582 CD LYS A 34 -23.838 -0.209 10.870 1.00 0.00 C ATOM 583 CE LYS A 34 -25.212 -0.411 11.533 1.00 0.00 C ATOM 584 NZ LYS A 34 -25.182 -1.466 12.572 1.00 0.00 N ATOM 0 H LYS A 34 -22.215 3.184 9.090 1.00 0.00 H new ATOM 0 HA LYS A 34 -24.986 3.073 8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -23.399 2.567 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -25.110 2.228 10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -24.571 0.639 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -22.866 0.926 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -23.517 -1.149 10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -23.105 0.045 11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -25.539 0.528 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -25.946 -0.674 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -26.128 -1.567 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -24.895 -2.369 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -24.501 -1.204 13.313 1.00 0.00 H new ATOM 598 N GLU A 35 -24.001 5.562 10.501 1.00 0.00 N ATOM 599 CA GLU A 35 -24.453 6.863 11.050 1.00 0.00 C ATOM 600 C GLU A 35 -24.831 7.837 9.908 1.00 0.00 C ATOM 601 O GLU A 35 -25.638 8.743 10.109 1.00 0.00 O ATOM 602 CB GLU A 35 -23.392 7.493 11.994 1.00 0.00 C ATOM 603 CG GLU A 35 -22.081 7.911 11.312 1.00 0.00 C ATOM 604 CD GLU A 35 -21.038 8.512 12.269 1.00 0.00 C ATOM 605 OE1 GLU A 35 -20.480 7.760 13.103 1.00 0.00 O ATOM 606 OE2 GLU A 35 -20.756 9.730 12.186 1.00 0.00 O ATOM 0 H GLU A 35 -22.999 5.391 10.590 1.00 0.00 H new ATOM 0 HA GLU A 35 -25.344 6.675 11.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -23.829 8.369 12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -23.161 6.778 12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.647 7.041 10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.306 8.640 10.533 1.00 0.00 H new ATOM 613 N SER A 36 -24.252 7.632 8.702 1.00 0.00 N ATOM 614 CA SER A 36 -24.672 8.364 7.476 1.00 0.00 C ATOM 615 C SER A 36 -26.033 7.850 6.956 1.00 0.00 C ATOM 616 O SER A 36 -26.709 8.535 6.176 1.00 0.00 O ATOM 617 CB SER A 36 -23.608 8.218 6.370 1.00 0.00 C ATOM 618 OG SER A 36 -22.370 8.804 6.746 1.00 0.00 O ATOM 0 H SER A 36 -23.494 6.968 8.548 1.00 0.00 H new ATOM 0 HA SER A 36 -24.777 9.416 7.740 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.457 7.161 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 36 -23.969 8.687 5.455 1.00 0.00 H new ATOM 0 HG SER A 36 -21.868 8.177 7.307 1.00 0.00 H new ATOM 624 N GLY A 37 -26.409 6.639 7.393 1.00 0.00 N ATOM 625 CA GLY A 37 -27.665 6.009 6.990 1.00 0.00 C ATOM 626 C GLY A 37 -27.512 5.130 5.758 1.00 0.00 C ATOM 627 O GLY A 37 -28.381 5.123 4.880 1.00 0.00 O ATOM 0 H GLY A 37 -25.850 6.075 8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -28.046 5.408 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.407 6.782 6.790 1.00 0.00 H new ATOM 631 N PHE A 38 -26.384 4.396 5.696 1.00 0.00 N ATOM 632 CA PHE A 38 -26.117 3.418 4.630 1.00 0.00 C ATOM 633 C PHE A 38 -27.004 2.176 4.855 1.00 0.00 C ATOM 634 O PHE A 38 -26.814 1.447 5.836 1.00 0.00 O ATOM 635 CB PHE A 38 -24.608 3.050 4.608 1.00 0.00 C ATOM 636 CG PHE A 38 -24.183 2.115 3.475 1.00 0.00 C ATOM 637 CD1 PHE A 38 -24.471 2.426 2.143 1.00 0.00 C ATOM 638 CD2 PHE A 38 -23.488 0.931 3.731 1.00 0.00 C ATOM 639 CE1 PHE A 38 -24.079 1.585 1.112 1.00 0.00 C ATOM 640 CE2 PHE A 38 -23.098 0.095 2.696 1.00 0.00 C ATOM 641 CZ PHE A 38 -23.397 0.420 1.390 1.00 0.00 C ATOM 0 H PHE A 38 -25.634 4.466 6.384 1.00 0.00 H new ATOM 0 HA PHE A 38 -26.361 3.846 3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -24.027 3.969 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -24.350 2.584 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -25.007 3.335 1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -23.251 0.663 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -24.309 1.844 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -22.558 -0.814 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 38 -23.098 -0.237 0.587 1.00 0.00 H new ATOM 651 N ASP A 39 -27.991 1.986 3.964 1.00 0.00 N ATOM 652 CA ASP A 39 -28.998 0.906 4.069 1.00 0.00 C ATOM 653 C ASP A 39 -28.348 -0.479 3.966 1.00 0.00 C ATOM 654 O ASP A 39 -28.666 -1.396 4.742 1.00 0.00 O ATOM 655 CB ASP A 39 -30.053 1.039 2.937 1.00 0.00 C ATOM 656 CG ASP A 39 -30.879 2.333 3.003 1.00 0.00 C ATOM 657 OD1 ASP A 39 -30.381 3.400 2.571 1.00 0.00 O ATOM 658 OD2 ASP A 39 -32.038 2.290 3.476 1.00 0.00 O ATOM 0 H ASP A 39 -28.117 2.579 3.144 1.00 0.00 H new ATOM 0 HA ASP A 39 -29.476 1.005 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -29.545 0.993 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -30.729 0.185 2.982 1.00 0.00 H new ATOM 663 N GLY A 40 -27.436 -0.611 2.986 1.00 0.00 N ATOM 664 CA GLY A 40 -26.800 -1.888 2.673 1.00 0.00 C ATOM 665 C GLY A 40 -25.753 -2.304 3.703 1.00 0.00 C ATOM 666 O GLY A 40 -25.465 -1.559 4.648 1.00 0.00 O ATOM 0 H GLY A 40 -27.126 0.162 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -27.565 -2.662 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -26.330 -1.822 1.692 1.00 0.00 H new ATOM 670 N GLU A 41 -25.184 -3.507 3.507 1.00 0.00 N ATOM 671 CA GLU A 41 -24.104 -4.035 4.355 1.00 0.00 C ATOM 672 C GLU A 41 -22.768 -3.377 3.956 1.00 0.00 C ATOM 673 O GLU A 41 -22.585 -2.985 2.798 1.00 0.00 O ATOM 674 CB GLU A 41 -24.019 -5.584 4.235 1.00 0.00 C ATOM 675 CG GLU A 41 -23.580 -6.127 2.853 1.00 0.00 C ATOM 676 CD GLU A 41 -23.523 -7.665 2.824 1.00 0.00 C ATOM 677 OE1 GLU A 41 -22.565 -8.236 3.385 1.00 0.00 O ATOM 678 OE2 GLU A 41 -24.451 -8.308 2.286 1.00 0.00 O ATOM 0 H GLU A 41 -25.461 -4.139 2.756 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.318 -3.795 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -23.321 -5.951 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.996 -6.003 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.274 -5.776 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -22.599 -5.724 2.601 1.00 0.00 H new ATOM 685 N LEU A 42 -21.844 -3.282 4.917 1.00 0.00 N ATOM 686 CA LEU A 42 -20.530 -2.630 4.736 1.00 0.00 C ATOM 687 C LEU A 42 -19.621 -3.366 3.719 1.00 0.00 C ATOM 688 O LEU A 42 -18.641 -2.790 3.234 1.00 0.00 O ATOM 689 CB LEU A 42 -19.800 -2.478 6.090 1.00 0.00 C ATOM 690 CG LEU A 42 -19.578 -3.799 6.922 1.00 0.00 C ATOM 691 CD1 LEU A 42 -18.187 -3.815 7.581 1.00 0.00 C ATOM 692 CD2 LEU A 42 -20.689 -4.002 7.984 1.00 0.00 C ATOM 0 H LEU A 42 -21.983 -3.658 5.855 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.735 -1.642 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -18.826 -2.025 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.365 -1.778 6.706 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.633 -4.632 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -18.063 -4.738 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -17.419 -3.757 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -18.093 -2.962 8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -20.501 -4.923 8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.691 -3.159 8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -21.658 -4.068 7.489 1.00 0.00 H new ATOM 704 N ALA A 43 -19.931 -4.641 3.420 1.00 0.00 N ATOM 705 CA ALA A 43 -19.247 -5.408 2.346 1.00 0.00 C ATOM 706 C ALA A 43 -19.528 -4.792 0.957 1.00 0.00 C ATOM 707 O ALA A 43 -18.726 -4.933 0.024 1.00 0.00 O ATOM 708 CB ALA A 43 -19.680 -6.881 2.385 1.00 0.00 C ATOM 0 H ALA A 43 -20.654 -5.170 3.907 1.00 0.00 H new ATOM 0 HA ALA A 43 -18.172 -5.356 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.171 -7.431 1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.418 -7.312 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -20.758 -6.947 2.238 1.00 0.00 H new ATOM 714 N ASP A 44 -20.676 -4.106 0.854 1.00 0.00 N ATOM 715 CA ASP A 44 -21.121 -3.408 -0.368 1.00 0.00 C ATOM 716 C ASP A 44 -20.546 -1.968 -0.424 1.00 0.00 C ATOM 717 O ASP A 44 -20.515 -1.343 -1.496 1.00 0.00 O ATOM 718 CB ASP A 44 -22.675 -3.379 -0.401 1.00 0.00 C ATOM 719 CG ASP A 44 -23.251 -2.771 -1.691 1.00 0.00 C ATOM 720 OD1 ASP A 44 -23.213 -3.452 -2.747 1.00 0.00 O ATOM 721 OD2 ASP A 44 -23.761 -1.623 -1.658 1.00 0.00 O ATOM 0 H ASP A 44 -21.334 -4.017 1.628 1.00 0.00 H new ATOM 0 HA ASP A 44 -20.750 -3.945 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -23.052 -4.396 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -23.038 -2.808 0.454 1.00 0.00 H new ATOM 726 N LEU A 45 -20.077 -1.462 0.742 1.00 0.00 N ATOM 727 CA LEU A 45 -19.580 -0.077 0.892 1.00 0.00 C ATOM 728 C LEU A 45 -18.340 0.165 -0.007 1.00 0.00 C ATOM 729 O LEU A 45 -17.241 -0.318 0.299 1.00 0.00 O ATOM 730 CB LEU A 45 -19.221 0.204 2.381 1.00 0.00 C ATOM 731 CG LEU A 45 -18.928 1.691 2.737 1.00 0.00 C ATOM 732 CD1 LEU A 45 -20.195 2.564 2.624 1.00 0.00 C ATOM 733 CD2 LEU A 45 -18.285 1.819 4.127 1.00 0.00 C ATOM 0 H LEU A 45 -20.034 -2.005 1.604 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.370 0.606 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -20.044 -0.144 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.347 -0.392 2.643 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.210 2.063 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.951 3.595 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.575 2.524 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -20.956 2.191 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.094 2.870 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.960 1.410 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.345 1.268 4.145 1.00 0.00 H new ATOM 745 N THR A 46 -18.547 0.880 -1.127 1.00 0.00 N ATOM 746 CA THR A 46 -17.482 1.204 -2.097 1.00 0.00 C ATOM 747 C THR A 46 -16.721 2.473 -1.665 1.00 0.00 C ATOM 748 O THR A 46 -17.300 3.356 -1.019 1.00 0.00 O ATOM 749 CB THR A 46 -18.077 1.409 -3.530 1.00 0.00 C ATOM 750 OG1 THR A 46 -19.100 2.423 -3.494 1.00 0.00 O ATOM 751 CG2 THR A 46 -18.670 0.101 -4.090 1.00 0.00 C ATOM 0 H THR A 46 -19.461 1.251 -1.387 1.00 0.00 H new ATOM 0 HA THR A 46 -16.787 0.364 -2.122 1.00 0.00 H new ATOM 0 HB THR A 46 -17.265 1.722 -4.186 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.468 2.549 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.074 0.282 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.889 -0.657 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.467 -0.248 -3.433 1.00 0.00 H new ATOM 759 N ASP A 47 -15.436 2.554 -2.058 1.00 0.00 N ATOM 760 CA ASP A 47 -14.526 3.682 -1.737 1.00 0.00 C ATOM 761 C ASP A 47 -15.090 5.042 -2.192 1.00 0.00 C ATOM 762 O ASP A 47 -14.822 6.068 -1.568 1.00 0.00 O ATOM 763 CB ASP A 47 -13.137 3.434 -2.377 1.00 0.00 C ATOM 764 CG ASP A 47 -13.172 3.328 -3.919 1.00 0.00 C ATOM 765 OD1 ASP A 47 -13.866 2.431 -4.449 1.00 0.00 O ATOM 766 OD2 ASP A 47 -12.498 4.121 -4.604 1.00 0.00 O ATOM 0 H ASP A 47 -14.988 1.828 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.429 3.726 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.466 4.245 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.717 2.515 -1.968 1.00 0.00 H new ATOM 771 N ASP A 48 -15.880 5.011 -3.279 1.00 0.00 N ATOM 772 CA ASP A 48 -16.612 6.184 -3.826 1.00 0.00 C ATOM 773 C ASP A 48 -17.400 6.924 -2.721 1.00 0.00 C ATOM 774 O ASP A 48 -17.368 8.163 -2.621 1.00 0.00 O ATOM 775 CB ASP A 48 -17.583 5.702 -4.936 1.00 0.00 C ATOM 776 CG ASP A 48 -18.404 6.829 -5.595 1.00 0.00 C ATOM 777 OD1 ASP A 48 -19.523 7.132 -5.122 1.00 0.00 O ATOM 778 OD2 ASP A 48 -17.950 7.397 -6.613 1.00 0.00 O ATOM 0 H ASP A 48 -16.036 4.159 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.887 6.884 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.009 5.189 -5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -18.269 4.970 -4.509 1.00 0.00 H new ATOM 783 N ILE A 49 -18.090 6.128 -1.893 1.00 0.00 N ATOM 784 CA ILE A 49 -18.917 6.618 -0.782 1.00 0.00 C ATOM 785 C ILE A 49 -18.047 7.293 0.301 1.00 0.00 C ATOM 786 O ILE A 49 -18.373 8.383 0.779 1.00 0.00 O ATOM 787 CB ILE A 49 -19.749 5.431 -0.163 1.00 0.00 C ATOM 788 CG1 ILE A 49 -20.636 4.754 -1.266 1.00 0.00 C ATOM 789 CG2 ILE A 49 -20.603 5.894 1.043 1.00 0.00 C ATOM 790 CD1 ILE A 49 -21.354 3.480 -0.831 1.00 0.00 C ATOM 0 H ILE A 49 -18.089 5.111 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 49 -19.607 7.367 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.045 4.690 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.381 5.475 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.006 4.522 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.161 5.046 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.950 6.295 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.300 6.667 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -21.940 3.090 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -20.620 2.735 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -22.016 3.703 0.005 1.00 0.00 H new ATOM 802 N LEU A 50 -16.925 6.648 0.656 1.00 0.00 N ATOM 803 CA LEU A 50 -16.037 7.132 1.733 1.00 0.00 C ATOM 804 C LEU A 50 -15.394 8.476 1.360 1.00 0.00 C ATOM 805 O LEU A 50 -15.358 9.405 2.163 1.00 0.00 O ATOM 806 CB LEU A 50 -14.928 6.100 2.077 1.00 0.00 C ATOM 807 CG LEU A 50 -15.387 4.778 2.751 1.00 0.00 C ATOM 808 CD1 LEU A 50 -16.385 5.043 3.884 1.00 0.00 C ATOM 809 CD2 LEU A 50 -15.937 3.766 1.740 1.00 0.00 C ATOM 0 H LEU A 50 -16.607 5.786 0.213 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.662 7.269 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.402 5.847 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.206 6.584 2.735 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.499 4.326 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.685 4.096 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.917 5.672 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -17.263 5.549 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.244 2.860 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.796 4.196 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.163 3.521 1.013 1.00 0.00 H new ATOM 821 N ILE A 51 -14.899 8.562 0.126 1.00 0.00 N ATOM 822 CA ILE A 51 -14.235 9.769 -0.385 1.00 0.00 C ATOM 823 C ILE A 51 -15.211 10.962 -0.362 1.00 0.00 C ATOM 824 O ILE A 51 -14.848 12.035 0.101 1.00 0.00 O ATOM 825 CB ILE A 51 -13.595 9.511 -1.811 1.00 0.00 C ATOM 826 CG1 ILE A 51 -12.186 8.823 -1.676 1.00 0.00 C ATOM 827 CG2 ILE A 51 -13.481 10.800 -2.664 1.00 0.00 C ATOM 828 CD1 ILE A 51 -12.123 7.576 -0.796 1.00 0.00 C ATOM 0 H ILE A 51 -14.945 7.800 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.403 10.026 0.271 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.275 8.840 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -11.839 8.555 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.484 9.557 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.035 10.559 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -14.474 11.223 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.854 11.525 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.103 7.193 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.430 7.831 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -12.791 6.814 -1.197 1.00 0.00 H new ATOM 840 N TYR A 52 -16.467 10.729 -0.780 1.00 0.00 N ATOM 841 CA TYR A 52 -17.525 11.758 -0.739 1.00 0.00 C ATOM 842 C TYR A 52 -17.814 12.206 0.717 1.00 0.00 C ATOM 843 O TYR A 52 -17.672 13.388 1.051 1.00 0.00 O ATOM 844 CB TYR A 52 -18.820 11.233 -1.406 1.00 0.00 C ATOM 845 CG TYR A 52 -19.979 12.255 -1.432 1.00 0.00 C ATOM 846 CD1 TYR A 52 -19.865 13.445 -2.155 1.00 0.00 C ATOM 847 CD2 TYR A 52 -21.176 12.031 -0.740 1.00 0.00 C ATOM 848 CE1 TYR A 52 -20.900 14.363 -2.189 1.00 0.00 C ATOM 849 CE2 TYR A 52 -22.209 12.951 -0.771 1.00 0.00 C ATOM 850 CZ TYR A 52 -22.067 14.111 -1.496 1.00 0.00 C ATOM 851 OH TYR A 52 -23.099 15.024 -1.541 1.00 0.00 O ATOM 0 H TYR A 52 -16.777 9.832 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 52 -17.170 12.625 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -18.592 10.933 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -19.151 10.339 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -18.954 13.652 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -21.295 11.121 -0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -20.795 15.276 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -23.123 12.759 -0.228 1.00 0.00 H new ATOM 0 HH TYR A 52 -23.849 14.697 -1.002 1.00 0.00 H new ATOM 861 N HIS A 53 -18.162 11.223 1.573 1.00 0.00 N ATOM 862 CA HIS A 53 -18.686 11.468 2.942 1.00 0.00 C ATOM 863 C HIS A 53 -17.640 12.132 3.854 1.00 0.00 C ATOM 864 O HIS A 53 -17.961 13.052 4.616 1.00 0.00 O ATOM 865 CB HIS A 53 -19.219 10.151 3.584 1.00 0.00 C ATOM 866 CG HIS A 53 -20.536 9.677 3.025 1.00 0.00 C ATOM 867 ND1 HIS A 53 -21.578 9.249 3.819 1.00 0.00 N ATOM 868 CD2 HIS A 53 -20.966 9.530 1.750 1.00 0.00 C ATOM 869 CE1 HIS A 53 -22.584 8.869 3.057 1.00 0.00 C ATOM 870 NE2 HIS A 53 -22.236 9.031 1.800 1.00 0.00 N ATOM 0 H HIS A 53 -18.089 10.233 1.338 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.518 12.165 2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -18.475 9.366 3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -19.327 10.302 4.658 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -21.572 9.229 4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -20.407 9.765 0.856 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -23.533 8.489 3.406 1.00 0.00 H new ATOM 879 N LEU A 54 -16.397 11.668 3.763 1.00 0.00 N ATOM 880 CA LEU A 54 -15.297 12.187 4.589 1.00 0.00 C ATOM 881 C LEU A 54 -14.775 13.526 4.044 1.00 0.00 C ATOM 882 O LEU A 54 -14.264 14.315 4.806 1.00 0.00 O ATOM 883 CB LEU A 54 -14.153 11.146 4.741 1.00 0.00 C ATOM 884 CG LEU A 54 -14.400 9.977 5.743 1.00 0.00 C ATOM 885 CD1 LEU A 54 -14.640 10.496 7.174 1.00 0.00 C ATOM 886 CD2 LEU A 54 -15.529 9.049 5.277 1.00 0.00 C ATOM 0 H LEU A 54 -16.119 10.926 3.121 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.696 12.372 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.951 10.716 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.251 11.674 5.050 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.489 9.379 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.808 9.652 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.767 11.057 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.515 11.147 7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.667 8.249 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.454 9.619 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.270 8.618 4.310 1.00 0.00 H new ATOM 898 N LYS A 55 -14.912 13.783 2.730 1.00 0.00 N ATOM 899 CA LYS A 55 -14.589 15.109 2.151 1.00 0.00 C ATOM 900 C LYS A 55 -15.645 16.160 2.536 1.00 0.00 C ATOM 901 O LYS A 55 -15.345 17.354 2.536 1.00 0.00 O ATOM 902 CB LYS A 55 -14.406 15.009 0.610 1.00 0.00 C ATOM 903 CG LYS A 55 -12.923 14.955 0.134 1.00 0.00 C ATOM 904 CD LYS A 55 -12.709 14.212 -1.216 1.00 0.00 C ATOM 905 CE LYS A 55 -13.807 14.488 -2.254 1.00 0.00 C ATOM 906 NZ LYS A 55 -13.384 14.131 -3.633 1.00 0.00 N ATOM 0 H LYS A 55 -15.241 13.098 2.050 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.641 15.441 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.921 14.117 0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.892 15.866 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.548 15.974 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.325 14.466 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.745 14.505 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.662 13.140 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.701 13.922 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.077 15.543 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.224 14.024 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.776 14.883 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.856 13.235 -3.613 1.00 0.00 H new ATOM 920 N MET A 56 -16.880 15.709 2.851 1.00 0.00 N ATOM 921 CA MET A 56 -17.938 16.599 3.386 1.00 0.00 C ATOM 922 C MET A 56 -17.468 17.285 4.691 1.00 0.00 C ATOM 923 O MET A 56 -17.753 18.472 4.907 1.00 0.00 O ATOM 924 CB MET A 56 -19.274 15.845 3.628 1.00 0.00 C ATOM 925 CG MET A 56 -19.920 15.230 2.373 1.00 0.00 C ATOM 926 SD MET A 56 -21.631 14.688 2.635 1.00 0.00 S ATOM 927 CE MET A 56 -21.492 13.643 4.085 1.00 0.00 C ATOM 0 H MET A 56 -17.169 14.737 2.745 1.00 0.00 H new ATOM 0 HA MET A 56 -18.124 17.361 2.629 1.00 0.00 H new ATOM 0 HB2 MET A 56 -19.097 15.050 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 56 -19.985 16.536 4.081 1.00 0.00 H new ATOM 0 HG2 MET A 56 -19.898 15.963 1.566 1.00 0.00 H new ATOM 0 HG3 MET A 56 -19.323 14.379 2.046 1.00 0.00 H new ATOM 0 HE1 MET A 56 -22.002 12.697 3.902 1.00 0.00 H new ATOM 0 HE2 MET A 56 -20.440 13.453 4.297 1.00 0.00 H new ATOM 0 HE3 MET A 56 -21.950 14.143 4.939 1.00 0.00 H new