USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 549 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 84 HIS : no HE2:sc= -1.76 K(o=-3.9,f=-5.4!) USER MOD Set 1.2: A 95 CYS SG : rot -120:sc= -2.14 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 80 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.15) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -101:sc= 1.29 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.721 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0265) USER MOD Single : A 103 THR OG1 : rot 115:sc= 0.725 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.9!) USER MOD Single : A 113 GLN : amide:sc= -2.66 X(o=-2.7,f=-2.4) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 120 THR OG1 : rot 79:sc= 0.0625 USER MOD Single : A 122 HIS : no HD1:sc= -0.31 K(o=-0.31,f=-2.3!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot -89:sc= 1.2 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -3.879 5.715 4.339 1.00 0.00 N ATOM 60 CA GLY A 68 -2.655 4.938 4.262 1.00 0.00 C ATOM 61 C GLY A 68 -2.904 3.506 3.833 1.00 0.00 C ATOM 62 O GLY A 68 -3.847 2.866 4.298 1.00 0.00 O ATOM 0 HA2 GLY A 68 -1.971 5.412 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.164 4.942 5.235 1.00 0.00 H new ATOM 66 N ILE A 69 -2.057 3.002 2.941 1.00 0.00 N ATOM 67 CA ILE A 69 -2.190 1.637 2.448 1.00 0.00 C ATOM 68 C ILE A 69 -0.934 0.823 2.739 1.00 0.00 C ATOM 69 O ILE A 69 0.134 1.380 2.997 1.00 0.00 O ATOM 70 CB ILE A 69 -2.467 1.610 0.934 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.335 2.304 0.174 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.802 2.272 0.627 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.215 1.369 -0.228 1.00 0.00 C ATOM 0 H ILE A 69 -1.272 3.519 2.545 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.037 1.193 2.971 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.516 0.571 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.744 2.774 -0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.927 3.101 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.983 2.245 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.600 1.738 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.781 3.308 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.552 1.929 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.220 0.918 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.610 0.586 -0.875 1.00 0.00 H new ATOM 85 N LEU A 70 -1.068 -0.498 2.694 1.00 0.00 N ATOM 86 CA LEU A 70 0.057 -1.391 2.950 1.00 0.00 C ATOM 87 C LEU A 70 0.176 -2.445 1.855 1.00 0.00 C ATOM 88 O LEU A 70 -0.816 -3.058 1.460 1.00 0.00 O ATOM 89 CB LEU A 70 -0.105 -2.069 4.312 1.00 0.00 C ATOM 90 CG LEU A 70 0.679 -3.366 4.513 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.164 -3.133 4.279 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.438 -3.924 5.908 1.00 0.00 C ATOM 0 H LEU A 70 -1.945 -0.975 2.483 1.00 0.00 H new ATOM 0 HA LEU A 70 0.969 -0.794 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.196 -1.362 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.163 -2.280 4.467 1.00 0.00 H new ATOM 0 HG LEU A 70 0.328 -4.098 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.706 -4.067 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.321 -2.779 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.530 -2.386 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.004 -4.847 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.762 -3.196 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.624 -4.129 6.039 1.00 0.00 H new ATOM 104 N ILE A 71 1.396 -2.653 1.370 1.00 0.00 N ATOM 105 CA ILE A 71 1.644 -3.636 0.323 1.00 0.00 C ATOM 106 C ILE A 71 2.782 -4.574 0.709 1.00 0.00 C ATOM 107 O ILE A 71 3.779 -4.149 1.295 1.00 0.00 O ATOM 108 CB ILE A 71 1.985 -2.957 -1.017 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.743 -2.281 -1.601 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.552 -3.974 -1.996 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.050 -1.340 -2.746 1.00 0.00 C ATOM 0 H ILE A 71 2.228 -2.154 1.686 1.00 0.00 H new ATOM 0 HA ILE A 71 0.726 -4.212 0.206 1.00 0.00 H new ATOM 0 HB ILE A 71 2.741 -2.193 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.050 -3.048 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.236 -1.727 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.788 -3.480 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.458 -4.414 -1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.816 -4.759 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.124 -0.897 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.718 -0.551 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.530 -1.893 -3.553 1.00 0.00 H new ATOM 123 N ARG A 72 2.628 -5.851 0.376 1.00 0.00 N ATOM 124 CA ARG A 72 3.644 -6.850 0.687 1.00 0.00 C ATOM 125 C ARG A 72 3.973 -7.691 -0.543 1.00 0.00 C ATOM 126 O ARG A 72 3.078 -8.160 -1.245 1.00 0.00 O ATOM 127 CB ARG A 72 3.168 -7.755 1.825 1.00 0.00 C ATOM 128 CG ARG A 72 3.156 -7.071 3.182 1.00 0.00 C ATOM 129 CD ARG A 72 2.689 -8.017 4.278 1.00 0.00 C ATOM 130 NE ARG A 72 3.278 -7.687 5.573 1.00 0.00 N ATOM 131 CZ ARG A 72 3.358 -8.544 6.584 1.00 0.00 C ATOM 132 NH1 ARG A 72 2.888 -9.777 6.451 1.00 0.00 N ATOM 133 NH2 ARG A 72 3.908 -8.169 7.732 1.00 0.00 N ATOM 0 H ARG A 72 1.810 -6.219 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 72 4.548 -6.328 1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.163 -8.112 1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.814 -8.632 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.156 -6.707 3.416 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.500 -6.201 3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.602 -7.977 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.952 -9.040 4.010 1.00 0.00 H new ATOM 0 HE ARG A 72 3.648 -6.746 5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.464 -10.069 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.951 -10.433 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.270 -7.221 7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.969 -8.828 8.508 1.00 0.00 H new ATOM 147 N GLY A 73 5.265 -7.879 -0.797 1.00 0.00 N ATOM 148 CA GLY A 73 5.689 -8.663 -1.942 1.00 0.00 C ATOM 149 C GLY A 73 5.956 -7.807 -3.164 1.00 0.00 C ATOM 150 O GLY A 73 5.196 -7.840 -4.132 1.00 0.00 O ATOM 0 H GLY A 73 6.025 -7.502 -0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.592 -9.216 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.921 -9.399 -2.179 1.00 0.00 H new ATOM 154 N LEU A 74 7.037 -7.036 -3.120 1.00 0.00 N ATOM 155 CA LEU A 74 7.402 -6.166 -4.232 1.00 0.00 C ATOM 156 C LEU A 74 8.454 -6.825 -5.118 1.00 0.00 C ATOM 157 O LEU A 74 9.247 -7.654 -4.670 1.00 0.00 O ATOM 158 CB LEU A 74 7.926 -4.828 -3.707 1.00 0.00 C ATOM 159 CG LEU A 74 6.978 -4.045 -2.798 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.723 -2.928 -2.085 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.812 -3.484 -3.600 1.00 0.00 C ATOM 0 H LEU A 74 7.676 -6.996 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 74 6.509 -5.990 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.851 -5.012 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.180 -4.200 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 74 6.581 -4.727 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 74 7.032 -2.382 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.523 -3.353 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.149 -2.247 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.148 -2.930 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.191 -2.817 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.262 -4.303 -4.063 1.00 0.00 H new ATOM 173 N PRO A 75 8.465 -6.448 -6.405 1.00 0.00 N ATOM 174 CA PRO A 75 9.416 -6.989 -7.380 1.00 0.00 C ATOM 175 C PRO A 75 10.842 -6.510 -7.126 1.00 0.00 C ATOM 176 O PRO A 75 11.068 -5.594 -6.336 1.00 0.00 O ATOM 177 CB PRO A 75 8.901 -6.449 -8.716 1.00 0.00 C ATOM 178 CG PRO A 75 8.153 -5.210 -8.361 1.00 0.00 C ATOM 179 CD PRO A 75 7.549 -5.465 -7.008 1.00 0.00 C ATOM 0 HA PRO A 75 9.469 -8.077 -7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.723 -6.233 -9.399 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.255 -7.173 -9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.818 -4.347 -8.335 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.380 -4.995 -9.099 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.492 -4.552 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.535 -5.857 -7.088 1.00 0.00 H new ATOM 187 N GLY A 76 11.801 -7.135 -7.803 1.00 0.00 N ATOM 188 CA GLY A 76 13.192 -6.757 -7.637 1.00 0.00 C ATOM 189 C GLY A 76 13.525 -5.451 -8.329 1.00 0.00 C ATOM 190 O GLY A 76 14.635 -4.934 -8.194 1.00 0.00 O ATOM 0 H GLY A 76 11.639 -7.896 -8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.417 -6.669 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.830 -7.547 -8.033 1.00 0.00 H new ATOM 194 N ASP A 77 12.564 -4.915 -9.073 1.00 0.00 N ATOM 195 CA ASP A 77 12.761 -3.661 -9.790 1.00 0.00 C ATOM 196 C ASP A 77 11.724 -2.625 -9.366 1.00 0.00 C ATOM 197 O ASP A 77 11.405 -1.706 -10.121 1.00 0.00 O ATOM 198 CB ASP A 77 12.680 -3.893 -11.299 1.00 0.00 C ATOM 199 CG ASP A 77 11.633 -4.924 -11.671 1.00 0.00 C ATOM 200 OD1 ASP A 77 11.856 -6.122 -11.397 1.00 0.00 O ATOM 201 OD2 ASP A 77 10.590 -4.533 -12.236 1.00 0.00 O ATOM 0 H ASP A 77 11.640 -5.330 -9.195 1.00 0.00 H new ATOM 0 HA ASP A 77 13.752 -3.281 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.451 -2.951 -11.797 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.653 -4.219 -11.666 1.00 0.00 H new ATOM 206 N VAL A 78 11.201 -2.780 -8.154 1.00 0.00 N ATOM 207 CA VAL A 78 10.200 -1.858 -7.630 1.00 0.00 C ATOM 208 C VAL A 78 10.821 -0.506 -7.294 1.00 0.00 C ATOM 209 O VAL A 78 11.672 -0.402 -6.410 1.00 0.00 O ATOM 210 CB VAL A 78 9.520 -2.425 -6.370 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.519 -2.538 -5.228 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.336 -1.559 -5.969 1.00 0.00 C ATOM 0 H VAL A 78 11.454 -3.535 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 78 9.451 -1.727 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 78 9.150 -3.425 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.020 -2.940 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.332 -3.203 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.922 -1.552 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.867 -1.974 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.680 -0.546 -5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.611 -1.535 -6.782 1.00 0.00 H new ATOM 222 N THR A 79 10.389 0.530 -8.006 1.00 0.00 N ATOM 223 CA THR A 79 10.902 1.876 -7.785 1.00 0.00 C ATOM 224 C THR A 79 9.784 2.832 -7.383 1.00 0.00 C ATOM 225 O THR A 79 8.607 2.554 -7.608 1.00 0.00 O ATOM 226 CB THR A 79 11.602 2.424 -9.043 1.00 0.00 C ATOM 227 OG1 THR A 79 12.067 3.758 -8.804 1.00 0.00 O ATOM 228 CG2 THR A 79 10.657 2.418 -10.235 1.00 0.00 C ATOM 0 H THR A 79 9.685 0.462 -8.741 1.00 0.00 H new ATOM 0 HA THR A 79 11.628 1.808 -6.974 1.00 0.00 H new ATOM 0 HB THR A 79 12.451 1.778 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.512 4.098 -9.608 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.174 2.809 -11.111 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.328 1.398 -10.433 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.791 3.042 -10.016 1.00 0.00 H new ATOM 236 N ASN A 80 10.161 3.959 -6.788 1.00 0.00 N ATOM 237 CA ASN A 80 9.189 4.956 -6.354 1.00 0.00 C ATOM 238 C ASN A 80 8.280 5.368 -7.508 1.00 0.00 C ATOM 239 O ASN A 80 7.111 5.693 -7.305 1.00 0.00 O ATOM 240 CB ASN A 80 9.904 6.184 -5.789 1.00 0.00 C ATOM 241 CG ASN A 80 10.608 6.989 -6.865 1.00 0.00 C ATOM 242 OD1 ASN A 80 10.059 7.957 -7.391 1.00 0.00 O ATOM 243 ND2 ASN A 80 11.830 6.589 -7.199 1.00 0.00 N ATOM 0 H ASN A 80 11.132 4.205 -6.595 1.00 0.00 H new ATOM 0 HA ASN A 80 8.574 4.511 -5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.180 6.820 -5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.632 5.866 -5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.352 7.090 -7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.246 5.781 -6.736 1.00 0.00 H new ATOM 250 N GLN A 81 8.827 5.351 -8.720 1.00 0.00 N ATOM 251 CA GLN A 81 8.066 5.723 -9.906 1.00 0.00 C ATOM 252 C GLN A 81 6.942 4.726 -10.167 1.00 0.00 C ATOM 253 O GLN A 81 5.871 5.096 -10.647 1.00 0.00 O ATOM 254 CB GLN A 81 8.987 5.802 -11.125 1.00 0.00 C ATOM 255 CG GLN A 81 8.380 6.554 -12.299 1.00 0.00 C ATOM 256 CD GLN A 81 8.650 8.044 -12.239 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.658 8.526 -12.757 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.747 8.784 -11.607 1.00 0.00 N ATOM 0 H GLN A 81 9.794 5.084 -8.906 1.00 0.00 H new ATOM 0 HA GLN A 81 7.623 6.703 -9.730 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.918 6.288 -10.835 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.241 4.791 -11.444 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.782 6.153 -13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.303 6.384 -12.317 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.926 8.343 -11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.874 9.794 -11.536 1.00 0.00 H new ATOM 267 N GLU A 82 7.195 3.460 -9.848 1.00 0.00 N ATOM 268 CA GLU A 82 6.204 2.410 -10.050 1.00 0.00 C ATOM 269 C GLU A 82 4.979 2.642 -9.170 1.00 0.00 C ATOM 270 O GLU A 82 3.842 2.535 -9.630 1.00 0.00 O ATOM 271 CB GLU A 82 6.812 1.039 -9.746 1.00 0.00 C ATOM 272 CG GLU A 82 6.123 -0.106 -10.469 1.00 0.00 C ATOM 273 CD GLU A 82 6.151 0.055 -11.977 1.00 0.00 C ATOM 274 OE1 GLU A 82 7.151 -0.357 -12.600 1.00 0.00 O ATOM 275 OE2 GLU A 82 5.170 0.593 -12.533 1.00 0.00 O ATOM 0 H GLU A 82 8.077 3.138 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 82 5.891 2.437 -11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.867 1.049 -10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.765 0.860 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.606 -1.045 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.088 -0.172 -10.134 1.00 0.00 H new ATOM 282 N VAL A 83 5.220 2.958 -7.902 1.00 0.00 N ATOM 283 CA VAL A 83 4.138 3.206 -6.957 1.00 0.00 C ATOM 284 C VAL A 83 3.408 4.503 -7.285 1.00 0.00 C ATOM 285 O VAL A 83 2.178 4.560 -7.258 1.00 0.00 O ATOM 286 CB VAL A 83 4.661 3.275 -5.510 1.00 0.00 C ATOM 287 CG1 VAL A 83 5.121 1.903 -5.042 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.788 4.291 -5.400 1.00 0.00 C ATOM 0 H VAL A 83 6.155 3.048 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 83 3.444 2.370 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 83 3.846 3.598 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.487 1.972 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.284 1.205 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.922 1.547 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.146 4.327 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.606 4.000 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.420 5.275 -5.691 1.00 0.00 H new ATOM 298 N HIS A 84 4.173 5.545 -7.594 1.00 0.00 N ATOM 299 CA HIS A 84 3.599 6.843 -7.929 1.00 0.00 C ATOM 300 C HIS A 84 2.680 6.734 -9.142 1.00 0.00 C ATOM 301 O HIS A 84 1.557 7.237 -9.129 1.00 0.00 O ATOM 302 CB HIS A 84 4.708 7.859 -8.204 1.00 0.00 C ATOM 303 CG HIS A 84 5.145 8.613 -6.986 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.551 9.787 -6.574 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.124 8.352 -6.087 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.147 10.217 -5.476 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.104 9.364 -5.159 1.00 0.00 N ATOM 0 H HIS A 84 5.192 5.516 -7.619 1.00 0.00 H new ATOM 0 HA HIS A 84 3.009 7.182 -7.078 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.568 7.340 -8.628 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.361 8.568 -8.955 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.773 10.251 -7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.795 7.506 -6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.894 11.114 -4.930 1.00 0.00 H new ATOM 316 N ASP A 85 3.166 6.076 -10.189 1.00 0.00 N ATOM 317 CA ASP A 85 2.389 5.901 -11.410 1.00 0.00 C ATOM 318 C ASP A 85 1.155 5.042 -11.151 1.00 0.00 C ATOM 319 O ASP A 85 0.086 5.287 -11.711 1.00 0.00 O ATOM 320 CB ASP A 85 3.250 5.263 -12.502 1.00 0.00 C ATOM 321 CG ASP A 85 2.718 5.539 -13.894 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.250 6.672 -14.138 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.770 4.623 -14.741 1.00 0.00 O ATOM 0 H ASP A 85 4.095 5.655 -10.216 1.00 0.00 H new ATOM 0 HA ASP A 85 2.061 6.885 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.269 5.641 -12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.297 4.186 -12.341 1.00 0.00 H new ATOM 328 N LEU A 86 1.312 4.033 -10.301 1.00 0.00 N ATOM 329 CA LEU A 86 0.211 3.136 -9.968 1.00 0.00 C ATOM 330 C LEU A 86 -0.919 3.893 -9.277 1.00 0.00 C ATOM 331 O LEU A 86 -2.097 3.657 -9.551 1.00 0.00 O ATOM 332 CB LEU A 86 0.706 2.003 -9.067 1.00 0.00 C ATOM 333 CG LEU A 86 -0.355 1.005 -8.600 1.00 0.00 C ATOM 334 CD1 LEU A 86 -0.933 0.246 -9.784 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.233 0.040 -7.581 1.00 0.00 C ATOM 0 H LEU A 86 2.190 3.816 -9.830 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.174 2.713 -10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.483 1.454 -9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.174 2.444 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.162 1.560 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.686 -0.459 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.392 0.950 -10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.136 -0.298 -10.292 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.536 -0.663 -7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.059 -0.508 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.597 0.599 -6.719 1.00 0.00 H new ATOM 347 N LEU A 87 -0.553 4.805 -8.383 1.00 0.00 N ATOM 348 CA LEU A 87 -1.536 5.599 -7.654 1.00 0.00 C ATOM 349 C LEU A 87 -1.453 7.069 -8.054 1.00 0.00 C ATOM 350 O LEU A 87 -1.664 7.959 -7.231 1.00 0.00 O ATOM 351 CB LEU A 87 -1.321 5.456 -6.147 1.00 0.00 C ATOM 352 CG LEU A 87 -1.975 4.241 -5.488 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.315 3.938 -4.152 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.469 4.472 -5.307 1.00 0.00 C ATOM 0 H LEU A 87 0.417 5.013 -8.146 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.528 5.227 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.249 5.415 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.698 6.355 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.837 3.379 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.794 3.070 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.257 3.728 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.421 4.798 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.918 3.597 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.628 5.346 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.932 4.639 -6.280 1.00 0.00 H new ATOM 366 N SER A 88 -1.144 7.315 -9.323 1.00 0.00 N ATOM 367 CA SER A 88 -1.031 8.677 -9.832 1.00 0.00 C ATOM 368 C SER A 88 -2.410 9.307 -10.009 1.00 0.00 C ATOM 369 O SER A 88 -2.640 10.447 -9.605 1.00 0.00 O ATOM 370 CB SER A 88 -0.279 8.686 -11.164 1.00 0.00 C ATOM 371 OG SER A 88 -0.827 7.739 -12.065 1.00 0.00 O ATOM 0 H SER A 88 -0.967 6.589 -10.018 1.00 0.00 H new ATOM 0 HA SER A 88 -0.472 9.265 -9.104 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.326 9.682 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.774 8.463 -10.992 1.00 0.00 H new ATOM 0 HG SER A 88 -0.269 6.933 -12.072 1.00 0.00 H new ATOM 377 N ASP A 89 -3.322 8.557 -10.616 1.00 0.00 N ATOM 378 CA ASP A 89 -4.679 9.039 -10.847 1.00 0.00 C ATOM 379 C ASP A 89 -5.178 9.849 -9.654 1.00 0.00 C ATOM 380 O ASP A 89 -5.828 10.881 -9.819 1.00 0.00 O ATOM 381 CB ASP A 89 -5.623 7.866 -11.113 1.00 0.00 C ATOM 382 CG ASP A 89 -5.533 7.364 -12.541 1.00 0.00 C ATOM 383 OD1 ASP A 89 -5.898 8.125 -13.461 1.00 0.00 O ATOM 384 OD2 ASP A 89 -5.100 6.209 -12.738 1.00 0.00 O ATOM 0 H ASP A 89 -3.147 7.612 -10.957 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.663 9.687 -11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.387 7.051 -10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.648 8.173 -10.902 1.00 0.00 H new ATOM 389 N TYR A 90 -4.870 9.372 -8.452 1.00 0.00 N ATOM 390 CA TYR A 90 -5.291 10.050 -7.231 1.00 0.00 C ATOM 391 C TYR A 90 -4.236 11.053 -6.774 1.00 0.00 C ATOM 392 O TYR A 90 -3.174 11.175 -7.384 1.00 0.00 O ATOM 393 CB TYR A 90 -5.555 9.029 -6.123 1.00 0.00 C ATOM 394 CG TYR A 90 -6.362 7.835 -6.578 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.740 6.712 -7.108 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.748 7.830 -6.478 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.474 5.619 -7.527 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.490 6.741 -6.893 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.848 5.638 -7.417 1.00 0.00 C ATOM 400 OH TYR A 90 -8.583 4.551 -7.831 1.00 0.00 O ATOM 0 H TYR A 90 -4.331 8.520 -8.297 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.212 10.592 -7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.601 8.682 -5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.081 9.521 -5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.664 6.693 -7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.254 8.692 -6.069 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.974 4.755 -7.938 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.567 6.753 -6.808 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.536 4.725 -7.684 1.00 0.00 H new ATOM 410 N GLU A 91 -4.537 11.768 -5.695 1.00 0.00 N ATOM 411 CA GLU A 91 -3.616 12.761 -5.155 1.00 0.00 C ATOM 412 C GLU A 91 -2.657 12.125 -4.152 1.00 0.00 C ATOM 413 O GLU A 91 -3.046 11.784 -3.034 1.00 0.00 O ATOM 414 CB GLU A 91 -4.390 13.898 -4.486 1.00 0.00 C ATOM 415 CG GLU A 91 -4.730 15.040 -5.429 1.00 0.00 C ATOM 416 CD GLU A 91 -3.516 15.868 -5.804 1.00 0.00 C ATOM 417 OE1 GLU A 91 -2.970 16.555 -4.915 1.00 0.00 O ATOM 418 OE2 GLU A 91 -3.112 15.830 -6.985 1.00 0.00 O ATOM 0 H GLU A 91 -5.411 11.678 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.034 13.166 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.313 13.499 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.802 14.287 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.183 14.636 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.474 15.684 -4.960 1.00 0.00 H new ATOM 425 N LEU A 92 -1.403 11.968 -4.560 1.00 0.00 N ATOM 426 CA LEU A 92 -0.387 11.372 -3.698 1.00 0.00 C ATOM 427 C LEU A 92 0.207 12.415 -2.756 1.00 0.00 C ATOM 428 O LEU A 92 1.128 13.145 -3.122 1.00 0.00 O ATOM 429 CB LEU A 92 0.721 10.742 -4.543 1.00 0.00 C ATOM 430 CG LEU A 92 0.402 9.380 -5.160 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.472 8.985 -6.167 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.271 8.320 -4.076 1.00 0.00 C ATOM 0 H LEU A 92 -1.065 12.245 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.864 10.596 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.974 11.433 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.610 10.638 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.551 9.455 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.227 8.013 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.517 9.730 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.439 8.928 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.044 7.357 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.208 8.247 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.533 8.595 -3.393 1.00 0.00 H new ATOM 444 N LYS A 93 -0.325 12.477 -1.540 1.00 0.00 N ATOM 445 CA LYS A 93 0.153 13.427 -0.543 1.00 0.00 C ATOM 446 C LYS A 93 1.511 13.001 0.006 1.00 0.00 C ATOM 447 O LYS A 93 2.319 13.839 0.408 1.00 0.00 O ATOM 448 CB LYS A 93 -0.856 13.549 0.601 1.00 0.00 C ATOM 449 CG LYS A 93 -2.130 14.280 0.212 1.00 0.00 C ATOM 450 CD LYS A 93 -1.898 15.776 0.083 1.00 0.00 C ATOM 451 CE LYS A 93 -3.132 16.487 -0.448 1.00 0.00 C ATOM 452 NZ LYS A 93 -2.884 17.939 -0.669 1.00 0.00 N ATOM 0 H LYS A 93 -1.088 11.880 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 93 0.264 14.398 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.113 12.551 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.387 14.072 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.502 13.886 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.900 14.094 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.629 16.189 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.056 15.959 -0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.442 16.025 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.954 16.362 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.749 18.388 -1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.613 18.386 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.117 18.059 -1.361 1.00 0.00 H new ATOM 466 N TYR A 94 1.756 11.696 0.019 1.00 0.00 N ATOM 467 CA TYR A 94 3.016 11.159 0.520 1.00 0.00 C ATOM 468 C TYR A 94 3.231 9.730 0.032 1.00 0.00 C ATOM 469 O TYR A 94 2.336 8.889 0.124 1.00 0.00 O ATOM 470 CB TYR A 94 3.038 11.197 2.049 1.00 0.00 C ATOM 471 CG TYR A 94 4.177 10.409 2.657 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.428 10.380 2.053 1.00 0.00 C ATOM 473 CD2 TYR A 94 4.001 9.692 3.834 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.471 9.661 2.605 1.00 0.00 C ATOM 475 CE2 TYR A 94 5.038 8.972 4.394 1.00 0.00 C ATOM 476 CZ TYR A 94 6.271 8.959 3.775 1.00 0.00 C ATOM 477 OH TYR A 94 7.306 8.241 4.329 1.00 0.00 O ATOM 0 H TYR A 94 1.099 10.990 -0.312 1.00 0.00 H new ATOM 0 HA TYR A 94 3.825 11.780 0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.108 12.234 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.094 10.806 2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.588 10.929 1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.036 9.698 4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.437 9.649 2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.885 8.422 5.311 1.00 0.00 H new ATOM 0 HH TYR A 94 6.999 7.805 5.151 1.00 0.00 H new ATOM 487 N CYS A 95 4.424 9.463 -0.487 1.00 0.00 N ATOM 488 CA CYS A 95 4.760 8.135 -0.991 1.00 0.00 C ATOM 489 C CYS A 95 6.038 7.615 -0.342 1.00 0.00 C ATOM 490 O CYS A 95 7.054 8.309 -0.303 1.00 0.00 O ATOM 491 CB CYS A 95 4.922 8.170 -2.511 1.00 0.00 C ATOM 492 SG CYS A 95 5.496 6.612 -3.228 1.00 0.00 S ATOM 0 H CYS A 95 5.175 10.148 -0.570 1.00 0.00 H new ATOM 0 HA CYS A 95 3.944 7.459 -0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.965 8.434 -2.962 1.00 0.00 H new ATOM 0 HB3 CYS A 95 5.627 8.959 -2.773 1.00 0.00 H new ATOM 0 HG CYS A 95 6.623 6.808 -3.846 1.00 0.00 H new ATOM 498 N PHE A 96 5.980 6.389 0.168 1.00 0.00 N ATOM 499 CA PHE A 96 7.132 5.776 0.818 1.00 0.00 C ATOM 500 C PHE A 96 7.357 4.358 0.301 1.00 0.00 C ATOM 501 O PHE A 96 6.481 3.500 0.408 1.00 0.00 O ATOM 502 CB PHE A 96 6.936 5.753 2.335 1.00 0.00 C ATOM 503 CG PHE A 96 8.057 5.078 3.074 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.168 5.799 3.480 1.00 0.00 C ATOM 505 CD2 PHE A 96 7.998 3.725 3.363 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.201 5.180 4.160 1.00 0.00 C ATOM 507 CE2 PHE A 96 9.027 3.101 4.042 1.00 0.00 C ATOM 508 CZ PHE A 96 10.130 3.830 4.442 1.00 0.00 C ATOM 0 H PHE A 96 5.147 5.801 0.144 1.00 0.00 H new ATOM 0 HA PHE A 96 8.012 6.374 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.838 6.777 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.001 5.243 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.228 6.855 3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.137 3.151 3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.063 5.752 4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.969 2.045 4.260 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.935 3.345 4.974 1.00 0.00 H new ATOM 518 N VAL A 97 8.539 4.119 -0.260 1.00 0.00 N ATOM 519 CA VAL A 97 8.881 2.806 -0.793 1.00 0.00 C ATOM 520 C VAL A 97 10.094 2.222 -0.078 1.00 0.00 C ATOM 521 O VAL A 97 11.185 2.789 -0.121 1.00 0.00 O ATOM 522 CB VAL A 97 9.171 2.872 -2.304 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.624 1.515 -2.820 1.00 0.00 C ATOM 524 CG2 VAL A 97 7.944 3.356 -3.061 1.00 0.00 C ATOM 0 H VAL A 97 9.275 4.818 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 97 8.019 2.161 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 97 9.978 3.586 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.824 1.581 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.532 1.212 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.841 0.778 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.167 3.397 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.116 2.668 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.669 4.350 -2.710 1.00 0.00 H new ATOM 534 N ASP A 98 9.896 1.083 0.578 1.00 0.00 N ATOM 535 CA ASP A 98 10.975 0.420 1.301 1.00 0.00 C ATOM 536 C ASP A 98 11.274 -0.948 0.695 1.00 0.00 C ATOM 537 O ASP A 98 10.621 -1.939 1.021 1.00 0.00 O ATOM 538 CB ASP A 98 10.609 0.269 2.778 1.00 0.00 C ATOM 539 CG ASP A 98 11.549 -0.665 3.514 1.00 0.00 C ATOM 540 OD1 ASP A 98 11.316 -1.891 3.479 1.00 0.00 O ATOM 541 OD2 ASP A 98 12.519 -0.170 4.127 1.00 0.00 O ATOM 0 H ASP A 98 8.999 0.600 0.624 1.00 0.00 H new ATOM 0 HA ASP A 98 11.869 1.037 1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.627 1.249 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.589 -0.107 2.860 1.00 0.00 H new ATOM 546 N LYS A 99 12.266 -0.994 -0.188 1.00 0.00 N ATOM 547 CA LYS A 99 12.653 -2.239 -0.840 1.00 0.00 C ATOM 548 C LYS A 99 13.247 -3.219 0.167 1.00 0.00 C ATOM 549 O LYS A 99 12.946 -4.412 0.139 1.00 0.00 O ATOM 550 CB LYS A 99 13.664 -1.962 -1.955 1.00 0.00 C ATOM 551 CG LYS A 99 14.996 -1.434 -1.451 1.00 0.00 C ATOM 552 CD LYS A 99 16.016 -1.334 -2.573 1.00 0.00 C ATOM 553 CE LYS A 99 16.716 -2.664 -2.810 1.00 0.00 C ATOM 554 NZ LYS A 99 17.771 -2.557 -3.856 1.00 0.00 N ATOM 0 H LYS A 99 12.817 -0.183 -0.468 1.00 0.00 H new ATOM 0 HA LYS A 99 11.758 -2.687 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.836 -2.881 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.236 -1.240 -2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.852 -0.452 -1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.377 -2.091 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.520 -1.014 -3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.755 -0.571 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.163 -3.011 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.982 -3.412 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.224 -3.484 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.341 -2.251 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.485 -1.862 -3.559 1.00 0.00 H new ATOM 568 N TYR A 100 14.091 -2.707 1.056 1.00 0.00 N ATOM 569 CA TYR A 100 14.728 -3.537 2.072 1.00 0.00 C ATOM 570 C TYR A 100 13.780 -4.631 2.554 1.00 0.00 C ATOM 571 O TYR A 100 14.022 -5.818 2.337 1.00 0.00 O ATOM 572 CB TYR A 100 15.177 -2.677 3.255 1.00 0.00 C ATOM 573 CG TYR A 100 15.959 -1.449 2.849 1.00 0.00 C ATOM 574 CD1 TYR A 100 17.071 -1.552 2.022 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.588 -0.186 3.292 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.790 -0.432 1.649 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.299 0.939 2.923 1.00 0.00 C ATOM 578 CZ TYR A 100 17.400 0.811 2.101 1.00 0.00 C ATOM 579 OH TYR A 100 18.112 1.929 1.732 1.00 0.00 O ATOM 0 H TYR A 100 14.350 -1.721 1.094 1.00 0.00 H new ATOM 0 HA TYR A 100 15.602 -4.010 1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.299 -2.367 3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.790 -3.283 3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.379 -2.524 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.728 -0.082 3.937 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.653 -0.530 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.995 1.913 3.276 1.00 0.00 H new ATOM 0 HH TYR A 100 17.705 2.724 2.135 1.00 0.00 H new ATOM 589 N LYS A 101 12.700 -4.221 3.210 1.00 0.00 N ATOM 590 CA LYS A 101 11.712 -5.164 3.722 1.00 0.00 C ATOM 591 C LYS A 101 10.904 -5.778 2.584 1.00 0.00 C ATOM 592 O LYS A 101 10.473 -6.927 2.665 1.00 0.00 O ATOM 593 CB LYS A 101 10.775 -4.466 4.710 1.00 0.00 C ATOM 594 CG LYS A 101 11.501 -3.733 5.824 1.00 0.00 C ATOM 595 CD LYS A 101 11.749 -4.639 7.019 1.00 0.00 C ATOM 596 CE LYS A 101 12.791 -4.051 7.958 1.00 0.00 C ATOM 597 NZ LYS A 101 14.171 -4.198 7.417 1.00 0.00 N ATOM 0 H LYS A 101 12.486 -3.242 3.400 1.00 0.00 H new ATOM 0 HA LYS A 101 12.243 -5.964 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.151 -3.757 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.107 -5.207 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.452 -3.353 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.913 -2.870 6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.815 -4.793 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.081 -5.618 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.576 -2.995 8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.726 -4.545 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.861 -3.926 8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.332 -5.187 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.286 -3.583 6.586 1.00 0.00 H new ATOM 611 N GLY A 102 10.702 -5.003 1.522 1.00 0.00 N ATOM 612 CA GLY A 102 9.947 -5.489 0.382 1.00 0.00 C ATOM 613 C GLY A 102 8.499 -5.040 0.412 1.00 0.00 C ATOM 614 O GLY A 102 7.617 -5.725 -0.106 1.00 0.00 O ATOM 0 H GLY A 102 11.048 -4.048 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.415 -5.136 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.986 -6.578 0.362 1.00 0.00 H new ATOM 618 N THR A 103 8.251 -3.885 1.023 1.00 0.00 N ATOM 619 CA THR A 103 6.901 -3.347 1.122 1.00 0.00 C ATOM 620 C THR A 103 6.870 -1.867 0.757 1.00 0.00 C ATOM 621 O THR A 103 7.909 -1.208 0.713 1.00 0.00 O ATOM 622 CB THR A 103 6.327 -3.527 2.539 1.00 0.00 C ATOM 623 OG1 THR A 103 7.089 -2.759 3.477 1.00 0.00 O ATOM 624 CG2 THR A 103 6.340 -4.992 2.947 1.00 0.00 C ATOM 0 H THR A 103 8.969 -3.305 1.457 1.00 0.00 H new ATOM 0 HA THR A 103 6.286 -3.905 0.416 1.00 0.00 H new ATOM 0 HB THR A 103 5.295 -3.177 2.536 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.525 -2.053 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.930 -5.094 3.952 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.735 -5.570 2.248 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.364 -5.364 2.934 1.00 0.00 H new ATOM 632 N ALA A 104 5.674 -1.351 0.496 1.00 0.00 N ATOM 633 CA ALA A 104 5.509 0.052 0.138 1.00 0.00 C ATOM 634 C ALA A 104 4.352 0.682 0.907 1.00 0.00 C ATOM 635 O ALA A 104 3.282 0.088 1.036 1.00 0.00 O ATOM 636 CB ALA A 104 5.287 0.192 -1.361 1.00 0.00 C ATOM 0 H ALA A 104 4.805 -1.884 0.526 1.00 0.00 H new ATOM 0 HA ALA A 104 6.423 0.581 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.165 1.245 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.146 -0.213 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.390 -0.356 -1.649 1.00 0.00 H new ATOM 642 N PHE A 105 4.575 1.889 1.416 1.00 0.00 N ATOM 643 CA PHE A 105 3.551 2.600 2.174 1.00 0.00 C ATOM 644 C PHE A 105 3.281 3.974 1.568 1.00 0.00 C ATOM 645 O PHE A 105 4.191 4.790 1.420 1.00 0.00 O ATOM 646 CB PHE A 105 3.980 2.750 3.635 1.00 0.00 C ATOM 647 CG PHE A 105 4.236 1.439 4.323 1.00 0.00 C ATOM 648 CD1 PHE A 105 3.187 0.697 4.839 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.526 0.949 4.452 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.419 -0.509 5.473 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.764 -0.256 5.084 1.00 0.00 C ATOM 652 CZ PHE A 105 4.710 -0.987 5.594 1.00 0.00 C ATOM 0 H PHE A 105 5.455 2.395 1.318 1.00 0.00 H new ATOM 0 HA PHE A 105 2.632 2.016 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.884 3.357 3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.206 3.291 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.176 1.065 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.355 1.516 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.592 -1.077 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.774 -0.626 5.179 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.894 -1.930 6.087 1.00 0.00 H new ATOM 662 N VAL A 106 2.023 4.222 1.218 1.00 0.00 N ATOM 663 CA VAL A 106 1.631 5.497 0.628 1.00 0.00 C ATOM 664 C VAL A 106 0.421 6.085 1.344 1.00 0.00 C ATOM 665 O VAL A 106 -0.444 5.355 1.829 1.00 0.00 O ATOM 666 CB VAL A 106 1.304 5.345 -0.870 1.00 0.00 C ATOM 667 CG1 VAL A 106 1.038 6.705 -1.498 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.435 4.627 -1.591 1.00 0.00 C ATOM 0 H VAL A 106 1.258 3.557 1.333 1.00 0.00 H new ATOM 0 HA VAL A 106 2.479 6.172 0.741 1.00 0.00 H new ATOM 0 HB VAL A 106 0.401 4.743 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.809 6.579 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.193 7.178 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.922 7.334 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.188 4.528 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.356 5.201 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.573 3.637 -1.156 1.00 0.00 H new ATOM 678 N THR A 107 0.365 7.412 1.407 1.00 0.00 N ATOM 679 CA THR A 107 -0.739 8.100 2.065 1.00 0.00 C ATOM 680 C THR A 107 -1.546 8.924 1.068 1.00 0.00 C ATOM 681 O THR A 107 -1.033 9.873 0.473 1.00 0.00 O ATOM 682 CB THR A 107 -0.235 9.024 3.189 1.00 0.00 C ATOM 683 OG1 THR A 107 0.487 8.263 4.163 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.396 9.744 3.859 1.00 0.00 C ATOM 0 H THR A 107 1.071 8.032 1.010 1.00 0.00 H new ATOM 0 HA THR A 107 -1.378 7.330 2.497 1.00 0.00 H new ATOM 0 HB THR A 107 0.427 9.768 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.805 8.859 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.016 10.391 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.925 10.346 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.080 9.011 4.287 1.00 0.00 H new ATOM 692 N LEU A 108 -2.810 8.556 0.889 1.00 0.00 N ATOM 693 CA LEU A 108 -3.688 9.263 -0.037 1.00 0.00 C ATOM 694 C LEU A 108 -4.376 10.437 0.654 1.00 0.00 C ATOM 695 O LEU A 108 -4.148 10.696 1.836 1.00 0.00 O ATOM 696 CB LEU A 108 -4.737 8.306 -0.606 1.00 0.00 C ATOM 697 CG LEU A 108 -4.344 7.561 -1.882 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.362 6.478 -2.203 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.209 8.531 -3.046 1.00 0.00 C ATOM 0 H LEU A 108 -3.250 7.773 1.372 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.078 9.652 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.982 7.570 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.646 8.873 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.377 7.085 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.066 5.959 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.409 5.766 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.343 6.932 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.929 7.983 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.161 9.037 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.441 9.269 -2.817 1.00 0.00 H new ATOM 711 N LEU A 109 -5.219 11.143 -0.091 1.00 0.00 N ATOM 712 CA LEU A 109 -5.942 12.289 0.450 1.00 0.00 C ATOM 713 C LEU A 109 -6.969 11.845 1.486 1.00 0.00 C ATOM 714 O LEU A 109 -6.814 12.105 2.679 1.00 0.00 O ATOM 715 CB LEU A 109 -6.637 13.056 -0.677 1.00 0.00 C ATOM 716 CG LEU A 109 -7.549 14.204 -0.244 1.00 0.00 C ATOM 717 CD1 LEU A 109 -6.774 15.220 0.581 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.180 14.871 -1.457 1.00 0.00 C ATOM 0 H LEU A 109 -5.419 10.942 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.221 12.945 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.872 13.457 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.228 12.349 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.346 13.794 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.440 16.030 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.370 14.735 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.956 15.624 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.826 15.686 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.397 15.267 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.770 14.139 -2.009 1.00 0.00 H new ATOM 730 N ASN A 110 -8.017 11.171 1.023 1.00 0.00 N ATOM 731 CA ASN A 110 -9.069 10.689 1.910 1.00 0.00 C ATOM 732 C ASN A 110 -9.132 9.165 1.901 1.00 0.00 C ATOM 733 O ASN A 110 -8.325 8.503 1.249 1.00 0.00 O ATOM 734 CB ASN A 110 -10.422 11.270 1.494 1.00 0.00 C ATOM 735 CG ASN A 110 -10.339 12.747 1.163 1.00 0.00 C ATOM 736 OD1 ASN A 110 -9.881 13.552 1.973 1.00 0.00 O ATOM 737 ND2 ASN A 110 -10.786 13.110 -0.034 1.00 0.00 N ATOM 0 H ASN A 110 -8.160 10.946 0.038 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.836 11.019 2.922 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -10.797 10.726 0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.142 11.121 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.758 14.091 -0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.158 12.408 -0.674 1.00 0.00 H new ATOM 744 N GLY A 111 -10.099 8.613 2.628 1.00 0.00 N ATOM 745 CA GLY A 111 -10.251 7.171 2.690 1.00 0.00 C ATOM 746 C GLY A 111 -10.935 6.607 1.460 1.00 0.00 C ATOM 747 O GLY A 111 -10.841 5.412 1.183 1.00 0.00 O ATOM 0 H GLY A 111 -10.780 9.139 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.270 6.710 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.828 6.907 3.576 1.00 0.00 H new ATOM 751 N GLU A 112 -11.626 7.470 0.721 1.00 0.00 N ATOM 752 CA GLU A 112 -12.330 7.049 -0.484 1.00 0.00 C ATOM 753 C GLU A 112 -11.348 6.572 -1.550 1.00 0.00 C ATOM 754 O GLU A 112 -11.569 5.549 -2.198 1.00 0.00 O ATOM 755 CB GLU A 112 -13.177 8.199 -1.034 1.00 0.00 C ATOM 756 CG GLU A 112 -12.452 9.051 -2.063 1.00 0.00 C ATOM 757 CD GLU A 112 -13.346 10.112 -2.675 1.00 0.00 C ATOM 758 OE1 GLU A 112 -14.335 9.743 -3.341 1.00 0.00 O ATOM 759 OE2 GLU A 112 -13.055 11.312 -2.488 1.00 0.00 O ATOM 0 H GLU A 112 -11.713 8.463 0.936 1.00 0.00 H new ATOM 0 HA GLU A 112 -12.984 6.218 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -14.081 7.790 -1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.493 8.834 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.594 9.531 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.064 8.408 -2.853 1.00 0.00 H new ATOM 766 N GLN A 113 -10.264 7.321 -1.725 1.00 0.00 N ATOM 767 CA GLN A 113 -9.248 6.975 -2.712 1.00 0.00 C ATOM 768 C GLN A 113 -8.488 5.720 -2.295 1.00 0.00 C ATOM 769 O GLN A 113 -8.068 4.928 -3.138 1.00 0.00 O ATOM 770 CB GLN A 113 -8.273 8.138 -2.900 1.00 0.00 C ATOM 771 CG GLN A 113 -8.947 9.439 -3.302 1.00 0.00 C ATOM 772 CD GLN A 113 -7.993 10.410 -3.968 1.00 0.00 C ATOM 773 OE1 GLN A 113 -8.156 10.754 -5.139 1.00 0.00 O ATOM 774 NE2 GLN A 113 -6.988 10.858 -3.224 1.00 0.00 N ATOM 0 H GLN A 113 -10.067 8.171 -1.196 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.750 6.775 -3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.724 8.295 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.541 7.868 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.771 9.222 -3.982 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.378 9.908 -2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.891 10.547 -2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.314 11.513 -3.619 1.00 0.00 H new ATOM 783 N ALA A 114 -8.315 5.546 -0.989 1.00 0.00 N ATOM 784 CA ALA A 114 -7.607 4.387 -0.460 1.00 0.00 C ATOM 785 C ALA A 114 -8.394 3.104 -0.705 1.00 0.00 C ATOM 786 O ALA A 114 -7.834 2.092 -1.123 1.00 0.00 O ATOM 787 CB ALA A 114 -7.336 4.567 1.026 1.00 0.00 C ATOM 0 H ALA A 114 -8.656 6.193 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.655 4.304 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.807 3.694 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.726 5.457 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.281 4.679 1.557 1.00 0.00 H new ATOM 793 N GLU A 115 -9.696 3.155 -0.440 1.00 0.00 N ATOM 794 CA GLU A 115 -10.559 1.995 -0.630 1.00 0.00 C ATOM 795 C GLU A 115 -10.560 1.550 -2.090 1.00 0.00 C ATOM 796 O GLU A 115 -10.435 0.363 -2.389 1.00 0.00 O ATOM 797 CB GLU A 115 -11.987 2.315 -0.183 1.00 0.00 C ATOM 798 CG GLU A 115 -13.010 1.283 -0.628 1.00 0.00 C ATOM 799 CD GLU A 115 -14.207 1.210 0.300 1.00 0.00 C ATOM 800 OE1 GLU A 115 -14.069 0.637 1.401 1.00 0.00 O ATOM 801 OE2 GLU A 115 -15.281 1.725 -0.075 1.00 0.00 O ATOM 0 H GLU A 115 -10.176 3.986 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.168 1.181 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.010 2.392 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.272 3.290 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.350 1.525 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.534 0.304 -0.679 1.00 0.00 H new ATOM 808 N ALA A 116 -10.702 2.513 -2.995 1.00 0.00 N ATOM 809 CA ALA A 116 -10.717 2.223 -4.424 1.00 0.00 C ATOM 810 C ALA A 116 -9.400 1.598 -4.871 1.00 0.00 C ATOM 811 O ALA A 116 -9.388 0.622 -5.621 1.00 0.00 O ATOM 812 CB ALA A 116 -10.998 3.490 -5.217 1.00 0.00 C ATOM 0 H ALA A 116 -10.808 3.501 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.514 1.504 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.006 3.258 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.968 3.894 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.222 4.227 -5.012 1.00 0.00 H new ATOM 818 N ALA A 117 -8.292 2.166 -4.405 1.00 0.00 N ATOM 819 CA ALA A 117 -6.970 1.663 -4.757 1.00 0.00 C ATOM 820 C ALA A 117 -6.734 0.278 -4.164 1.00 0.00 C ATOM 821 O ALA A 117 -6.210 -0.612 -4.834 1.00 0.00 O ATOM 822 CB ALA A 117 -5.895 2.631 -4.285 1.00 0.00 C ATOM 0 H ALA A 117 -8.284 2.974 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.917 1.579 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.913 2.243 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.045 3.601 -4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.956 2.743 -3.203 1.00 0.00 H new ATOM 828 N ILE A 118 -7.123 0.104 -2.906 1.00 0.00 N ATOM 829 CA ILE A 118 -6.953 -1.173 -2.224 1.00 0.00 C ATOM 830 C ILE A 118 -7.840 -2.248 -2.843 1.00 0.00 C ATOM 831 O ILE A 118 -7.427 -3.397 -2.995 1.00 0.00 O ATOM 832 CB ILE A 118 -7.277 -1.058 -0.723 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.211 -0.223 -0.012 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.381 -2.440 -0.096 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.591 0.167 1.400 1.00 0.00 C ATOM 0 H ILE A 118 -7.558 0.831 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.907 -1.456 -2.340 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.239 -0.557 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.278 -0.786 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.022 0.681 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.610 -2.342 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -8.173 -3.004 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.434 -2.966 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.789 0.757 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.507 0.757 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.751 -0.732 1.995 1.00 0.00 H new ATOM 847 N ASN A 119 -9.063 -1.867 -3.199 1.00 0.00 N ATOM 848 CA ASN A 119 -10.009 -2.798 -3.803 1.00 0.00 C ATOM 849 C ASN A 119 -9.427 -3.419 -5.070 1.00 0.00 C ATOM 850 O ASN A 119 -9.512 -4.630 -5.277 1.00 0.00 O ATOM 851 CB ASN A 119 -11.322 -2.084 -4.129 1.00 0.00 C ATOM 852 CG ASN A 119 -12.519 -3.012 -4.053 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.396 -4.219 -4.260 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.685 -2.451 -3.756 1.00 0.00 N ATOM 0 H ASN A 119 -9.422 -0.920 -3.079 1.00 0.00 H new ATOM 0 HA ASN A 119 -10.205 -3.595 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.464 -1.255 -3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.261 -1.656 -5.129 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.526 -3.025 -3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.740 -1.446 -3.592 1.00 0.00 H new ATOM 861 N THR A 120 -8.836 -2.581 -5.916 1.00 0.00 N ATOM 862 CA THR A 120 -8.241 -3.046 -7.162 1.00 0.00 C ATOM 863 C THR A 120 -6.877 -3.682 -6.917 1.00 0.00 C ATOM 864 O THR A 120 -6.600 -4.783 -7.393 1.00 0.00 O ATOM 865 CB THR A 120 -8.083 -1.895 -8.174 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.318 -1.183 -8.302 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.654 -2.425 -9.533 1.00 0.00 C ATOM 0 H THR A 120 -8.757 -1.576 -5.760 1.00 0.00 H new ATOM 0 HA THR A 120 -8.919 -3.793 -7.575 1.00 0.00 H new ATOM 0 HB THR A 120 -7.311 -1.219 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.425 -0.574 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.549 -1.594 -10.231 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.699 -2.941 -9.437 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.406 -3.120 -9.907 1.00 0.00 H new ATOM 875 N PHE A 121 -6.029 -2.983 -6.170 1.00 0.00 N ATOM 876 CA PHE A 121 -4.694 -3.480 -5.861 1.00 0.00 C ATOM 877 C PHE A 121 -4.767 -4.811 -5.119 1.00 0.00 C ATOM 878 O PHE A 121 -3.888 -5.663 -5.260 1.00 0.00 O ATOM 879 CB PHE A 121 -3.927 -2.456 -5.021 1.00 0.00 C ATOM 880 CG PHE A 121 -3.806 -1.112 -5.678 1.00 0.00 C ATOM 881 CD1 PHE A 121 -4.079 -0.958 -7.028 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.420 0.000 -4.946 1.00 0.00 C ATOM 883 CE1 PHE A 121 -3.967 0.278 -7.636 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.308 1.239 -5.548 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.583 1.378 -6.895 1.00 0.00 C ATOM 0 H PHE A 121 -6.243 -2.071 -5.767 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.166 -3.637 -6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.428 -2.338 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.929 -2.842 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.383 -1.814 -7.612 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.204 -0.103 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.180 0.383 -8.690 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.006 2.097 -4.966 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.498 2.345 -7.367 1.00 0.00 H new ATOM 895 N HIS A 122 -5.820 -4.984 -4.327 1.00 0.00 N ATOM 896 CA HIS A 122 -6.009 -6.211 -3.562 1.00 0.00 C ATOM 897 C HIS A 122 -6.249 -7.398 -4.490 1.00 0.00 C ATOM 898 O HIS A 122 -6.683 -7.229 -5.629 1.00 0.00 O ATOM 899 CB HIS A 122 -7.184 -6.059 -2.595 1.00 0.00 C ATOM 900 CG HIS A 122 -7.539 -7.325 -1.880 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.618 -8.082 -1.187 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.724 -7.967 -1.751 1.00 0.00 C ATOM 903 CE1 HIS A 122 -7.220 -9.135 -0.664 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.499 -9.089 -0.991 1.00 0.00 N ATOM 0 H HIS A 122 -6.556 -4.290 -4.198 1.00 0.00 H new ATOM 0 HA HIS A 122 -5.100 -6.397 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.942 -5.292 -1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -8.055 -5.707 -3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.670 -7.655 -2.168 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -6.747 -9.903 -0.070 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.205 -9.775 -0.723 1.00 0.00 H new ATOM 913 N GLN A 123 -5.963 -8.598 -3.994 1.00 0.00 N ATOM 914 CA GLN A 123 -6.147 -9.812 -4.780 1.00 0.00 C ATOM 915 C GLN A 123 -5.546 -9.655 -6.173 1.00 0.00 C ATOM 916 O GLN A 123 -6.061 -10.202 -7.147 1.00 0.00 O ATOM 917 CB GLN A 123 -7.634 -10.154 -4.889 1.00 0.00 C ATOM 918 CG GLN A 123 -8.430 -9.153 -5.710 1.00 0.00 C ATOM 919 CD GLN A 123 -9.772 -9.699 -6.156 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.777 -9.554 -5.461 1.00 0.00 O ATOM 921 NE2 GLN A 123 -9.794 -10.333 -7.323 1.00 0.00 N ATOM 0 H GLN A 123 -5.603 -8.755 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.631 -10.626 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.739 -11.143 -5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.060 -10.210 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.587 -8.249 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.850 -8.865 -6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.937 -10.430 -7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.668 -10.723 -7.675 1.00 0.00 H new ATOM 930 N SER A 124 -4.452 -8.904 -6.259 1.00 0.00 N ATOM 931 CA SER A 124 -3.783 -8.671 -7.533 1.00 0.00 C ATOM 932 C SER A 124 -2.521 -9.520 -7.647 1.00 0.00 C ATOM 933 O SER A 124 -2.096 -10.153 -6.680 1.00 0.00 O ATOM 934 CB SER A 124 -3.431 -7.190 -7.686 1.00 0.00 C ATOM 935 OG SER A 124 -2.345 -6.835 -6.848 1.00 0.00 O ATOM 0 H SER A 124 -4.011 -8.447 -5.461 1.00 0.00 H new ATOM 0 HA SER A 124 -4.467 -8.958 -8.332 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.177 -6.979 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.299 -6.579 -7.440 1.00 0.00 H new ATOM 0 HG SER A 124 -2.685 -6.557 -5.972 1.00 0.00 H new ATOM 941 N ARG A 125 -1.925 -9.529 -8.835 1.00 0.00 N ATOM 942 CA ARG A 125 -0.712 -10.300 -9.077 1.00 0.00 C ATOM 943 C ARG A 125 0.259 -9.524 -9.961 1.00 0.00 C ATOM 944 O ARG A 125 -0.153 -8.708 -10.787 1.00 0.00 O ATOM 945 CB ARG A 125 -1.056 -11.639 -9.731 1.00 0.00 C ATOM 946 CG ARG A 125 -1.872 -12.561 -8.840 1.00 0.00 C ATOM 947 CD ARG A 125 -2.181 -13.878 -9.535 1.00 0.00 C ATOM 948 NE ARG A 125 -3.197 -13.725 -10.573 1.00 0.00 N ATOM 949 CZ ARG A 125 -3.901 -14.737 -11.068 1.00 0.00 C ATOM 950 NH1 ARG A 125 -3.700 -15.969 -10.622 1.00 0.00 N ATOM 951 NH2 ARG A 125 -4.808 -14.517 -12.011 1.00 0.00 N ATOM 0 H ARG A 125 -2.263 -9.010 -9.646 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.232 -10.485 -8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.610 -11.453 -10.651 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.132 -12.144 -10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.325 -12.755 -7.917 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.803 -12.068 -8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.268 -14.277 -9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.522 -14.605 -8.798 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.376 -12.789 -10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.004 -16.142 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -4.242 -16.744 -11.004 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.965 -13.570 -12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.348 -15.295 -12.391 1.00 0.00 H new ATOM 965 N LEU A 126 1.550 -9.782 -9.782 1.00 0.00 N ATOM 966 CA LEU A 126 2.580 -9.107 -10.564 1.00 0.00 C ATOM 967 C LEU A 126 3.752 -10.043 -10.843 1.00 0.00 C ATOM 968 O LEU A 126 4.333 -10.618 -9.922 1.00 0.00 O ATOM 969 CB LEU A 126 3.073 -7.861 -9.826 1.00 0.00 C ATOM 970 CG LEU A 126 4.401 -7.276 -10.309 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.229 -6.611 -11.665 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.948 -6.286 -9.292 1.00 0.00 C ATOM 0 H LEU A 126 1.908 -10.453 -9.103 1.00 0.00 H new ATOM 0 HA LEU A 126 2.142 -8.809 -11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.308 -7.089 -9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.170 -8.104 -8.768 1.00 0.00 H new ATOM 0 HG LEU A 126 5.118 -8.090 -10.415 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.184 -6.201 -11.993 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.883 -7.347 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.497 -5.807 -11.586 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.893 -5.880 -9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.233 -5.475 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.110 -6.793 -8.341 1.00 0.00 H new ATOM 984 N ARG A 127 4.095 -10.189 -12.118 1.00 0.00 N ATOM 985 CA ARG A 127 5.198 -11.054 -12.519 1.00 0.00 C ATOM 986 C ARG A 127 5.032 -12.453 -11.933 1.00 0.00 C ATOM 987 O ARG A 127 5.985 -13.039 -11.420 1.00 0.00 O ATOM 988 CB ARG A 127 6.532 -10.456 -12.068 1.00 0.00 C ATOM 989 CG ARG A 127 6.972 -9.257 -12.893 1.00 0.00 C ATOM 990 CD ARG A 127 8.350 -8.769 -12.475 1.00 0.00 C ATOM 991 NE ARG A 127 9.315 -9.861 -12.389 1.00 0.00 N ATOM 992 CZ ARG A 127 9.485 -10.609 -11.304 1.00 0.00 C ATOM 993 NH1 ARG A 127 8.757 -10.383 -10.219 1.00 0.00 N ATOM 994 NH2 ARG A 127 10.384 -11.585 -11.304 1.00 0.00 N ATOM 0 H ARG A 127 3.625 -9.719 -12.892 1.00 0.00 H new ATOM 0 HA ARG A 127 5.190 -11.131 -13.606 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.452 -10.157 -11.023 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.302 -11.226 -12.122 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.985 -9.526 -13.949 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.249 -8.450 -12.778 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.705 -8.028 -13.191 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.280 -8.270 -11.508 1.00 0.00 H new ATOM 0 HE ARG A 127 9.891 -10.061 -13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 127 8.065 -9.634 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.889 -10.958 -9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.945 -11.761 -12.137 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.514 -12.159 -10.471 1.00 0.00 H new ATOM 1008 N GLU A 128 3.815 -12.982 -12.013 1.00 0.00 N ATOM 1009 CA GLU A 128 3.525 -14.312 -11.489 1.00 0.00 C ATOM 1010 C GLU A 128 3.794 -14.376 -9.989 1.00 0.00 C ATOM 1011 O GLU A 128 4.508 -15.259 -9.513 1.00 0.00 O ATOM 1012 CB GLU A 128 4.365 -15.365 -12.215 1.00 0.00 C ATOM 1013 CG GLU A 128 3.832 -15.727 -13.591 1.00 0.00 C ATOM 1014 CD GLU A 128 4.356 -17.060 -14.087 1.00 0.00 C ATOM 1015 OE1 GLU A 128 3.745 -18.098 -13.758 1.00 0.00 O ATOM 1016 OE2 GLU A 128 5.377 -17.065 -14.806 1.00 0.00 O ATOM 0 H GLU A 128 3.015 -12.511 -12.435 1.00 0.00 H new ATOM 0 HA GLU A 128 2.469 -14.520 -11.660 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.386 -14.997 -12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.410 -16.266 -11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.743 -15.758 -13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.107 -14.946 -14.300 1.00 0.00 H new ATOM 1023 N ARG A 129 3.217 -13.435 -9.249 1.00 0.00 N ATOM 1024 CA ARG A 129 3.396 -13.383 -7.803 1.00 0.00 C ATOM 1025 C ARG A 129 2.154 -12.815 -7.122 1.00 0.00 C ATOM 1026 O ARG A 129 1.470 -11.955 -7.675 1.00 0.00 O ATOM 1027 CB ARG A 129 4.618 -12.533 -7.449 1.00 0.00 C ATOM 1028 CG ARG A 129 4.297 -11.063 -7.235 1.00 0.00 C ATOM 1029 CD ARG A 129 3.877 -10.788 -5.799 1.00 0.00 C ATOM 1030 NE ARG A 129 5.027 -10.629 -4.913 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.546 -11.620 -4.197 1.00 0.00 C ATOM 1032 NH1 ARG A 129 5.020 -12.835 -4.261 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.594 -11.396 -3.414 1.00 0.00 N ATOM 0 H ARG A 129 2.622 -12.698 -9.627 1.00 0.00 H new ATOM 0 HA ARG A 129 3.553 -14.400 -7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 129 5.077 -12.931 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.356 -12.623 -8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.170 -10.459 -7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.499 -10.761 -7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.267 -9.885 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.254 -11.607 -5.440 1.00 0.00 H new ATOM 0 HE ARG A 129 5.455 -9.706 -4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.214 -13.011 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.421 -13.594 -3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 129 7.001 -10.462 -3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.992 -12.158 -2.864 1.00 0.00 H new ATOM 1047 N GLU A 130 1.870 -13.304 -5.919 1.00 0.00 N ATOM 1048 CA GLU A 130 0.710 -12.845 -5.164 1.00 0.00 C ATOM 1049 C GLU A 130 1.027 -11.560 -4.406 1.00 0.00 C ATOM 1050 O GLU A 130 1.937 -11.522 -3.577 1.00 0.00 O ATOM 1051 CB GLU A 130 0.251 -13.928 -4.184 1.00 0.00 C ATOM 1052 CG GLU A 130 -0.988 -13.546 -3.392 1.00 0.00 C ATOM 1053 CD GLU A 130 -0.660 -12.748 -2.145 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -0.271 -13.363 -1.130 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -0.792 -11.506 -2.184 1.00 0.00 O ATOM 0 H GLU A 130 2.426 -14.017 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.094 -12.640 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.050 -14.845 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.063 -14.146 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.655 -12.963 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.527 -14.450 -3.109 1.00 0.00 H new ATOM 1062 N LEU A 131 0.270 -10.507 -4.696 1.00 0.00 N ATOM 1063 CA LEU A 131 0.470 -9.218 -4.043 1.00 0.00 C ATOM 1064 C LEU A 131 -0.565 -8.997 -2.945 1.00 0.00 C ATOM 1065 O LEU A 131 -1.759 -9.213 -3.152 1.00 0.00 O ATOM 1066 CB LEU A 131 0.390 -8.086 -5.069 1.00 0.00 C ATOM 1067 CG LEU A 131 1.359 -8.181 -6.249 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.759 -7.527 -7.485 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.692 -7.538 -5.897 1.00 0.00 C ATOM 0 H LEU A 131 -0.488 -10.521 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 131 1.461 -9.219 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.626 -8.049 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.568 -7.142 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 131 1.533 -9.234 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.462 -7.604 -8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.170 -8.032 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.555 -6.476 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.369 -7.615 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.536 -6.488 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 131 3.128 -8.050 -5.039 1.00 0.00 H new ATOM 1081 N SER A 132 -0.099 -8.565 -1.778 1.00 0.00 N ATOM 1082 CA SER A 132 -0.984 -8.317 -0.646 1.00 0.00 C ATOM 1083 C SER A 132 -1.228 -6.822 -0.464 1.00 0.00 C ATOM 1084 O SER A 132 -0.298 -6.018 -0.523 1.00 0.00 O ATOM 1085 CB SER A 132 -0.389 -8.907 0.634 1.00 0.00 C ATOM 1086 OG SER A 132 -1.408 -9.309 1.533 1.00 0.00 O ATOM 0 H SER A 132 0.886 -8.379 -1.591 1.00 0.00 H new ATOM 0 HA SER A 132 -1.939 -8.801 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.239 -9.762 0.386 1.00 0.00 H new ATOM 0 HB3 SER A 132 0.253 -8.169 1.114 1.00 0.00 H new ATOM 0 HG SER A 132 -1.001 -9.684 2.342 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.487 -6.456 -0.244 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.855 -5.058 -0.053 1.00 0.00 C ATOM 1094 C VAL A 133 -3.969 -4.919 0.979 1.00 0.00 C ATOM 1095 O VAL A 133 -4.983 -5.613 0.908 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.311 -4.412 -1.375 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.564 -2.925 -1.183 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.279 -4.649 -2.467 1.00 0.00 C ATOM 0 H VAL A 133 -3.269 -7.109 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.964 -4.542 0.306 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.247 -4.878 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.885 -2.486 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.342 -2.782 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.646 -2.440 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.617 -4.186 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.327 -4.211 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.153 -5.721 -2.622 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.773 -4.018 1.936 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.761 -3.789 2.983 1.00 0.00 C ATOM 1110 C GLN A 134 -4.639 -2.377 3.546 1.00 0.00 C ATOM 1111 O GLN A 134 -3.652 -1.682 3.301 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.595 -4.815 4.105 1.00 0.00 C ATOM 1113 CG GLN A 134 -3.237 -4.757 4.786 1.00 0.00 C ATOM 1114 CD GLN A 134 -3.202 -5.536 6.085 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -3.877 -5.183 7.053 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -2.414 -6.605 6.114 1.00 0.00 N ATOM 0 H GLN A 134 -2.939 -3.435 2.008 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.752 -3.901 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.373 -4.655 4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.745 -5.815 3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.479 -5.151 4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.978 -3.717 4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -1.872 -6.862 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -2.351 -7.169 6.961 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.648 -1.958 4.302 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.654 -0.628 4.902 1.00 0.00 C ATOM 1127 C LEU A 135 -4.586 -0.513 5.984 1.00 0.00 C ATOM 1128 O LEU A 135 -4.307 -1.476 6.699 1.00 0.00 O ATOM 1129 CB LEU A 135 -7.031 -0.320 5.493 1.00 0.00 C ATOM 1130 CG LEU A 135 -8.125 0.049 4.491 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.501 -0.125 5.114 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.937 1.477 3.999 1.00 0.00 C ATOM 0 H LEU A 135 -6.472 -2.520 4.514 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.431 0.097 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -7.364 -1.190 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.924 0.501 6.202 1.00 0.00 H new ATOM 0 HG LEU A 135 -8.049 -0.622 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -10.267 0.142 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.635 -1.164 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.589 0.521 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.724 1.723 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.986 2.163 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.966 1.569 3.513 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.992 0.670 6.100 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.956 0.911 7.096 1.00 0.00 C ATOM 1146 C GLN A 136 -3.438 0.519 8.489 1.00 0.00 C ATOM 1147 O GLN A 136 -4.629 0.573 8.798 1.00 0.00 O ATOM 1148 CB GLN A 136 -2.537 2.382 7.083 1.00 0.00 C ATOM 1149 CG GLN A 136 -3.635 3.331 7.535 1.00 0.00 C ATOM 1150 CD GLN A 136 -3.090 4.590 8.179 1.00 0.00 C ATOM 1151 OE1 GLN A 136 -2.851 5.592 7.504 1.00 0.00 O ATOM 1152 NE2 GLN A 136 -2.890 4.547 9.491 1.00 0.00 N ATOM 0 H GLN A 136 -4.211 1.477 5.516 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.094 0.294 6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.669 2.510 7.730 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.226 2.654 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -4.250 3.603 6.677 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -4.285 2.817 8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -3.102 3.696 10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -2.525 5.365 9.978 1.00 0.00 H new