USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1126 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 120 SER OG : rot 180:sc= 1.03 USER MOD Set 1.2: A 123 THR OG1 : rot 72:sc= 1.18 USER MOD Set 2.1: A 81 THR OG1 : rot 63:sc= 1.16 USER MOD Set 2.2: A 86 HIS : no HD1:sc= -0.0279 X(o=1.1,f=1.2) USER MOD Set 3.1: A 9 CYS SG : rot -79:sc= 0.823 USER MOD Set 3.2: A 16 SER OG : rot -23:sc= 1.37 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.5) USER MOD Single : A 12 ASN : amide:sc= 0.381! C(o=0.38!,f=-4.8!) USER MOD Single : A 14 CYS SG : rot -12:sc= 0.693 USER MOD Single : A 18 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 24 GLN : amide:sc= 0.937 K(o=0.94,f=-3.3!) USER MOD Single : A 26 TYR OH : rot 178:sc= 1.31 USER MOD Single : A 27 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.9!) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0.93) USER MOD Single : A 34 SER OG : rot 100:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 51 SER OG : rot 87:sc= 1.28 USER MOD Single : A 56 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 57 GLN : amide:sc= 0.278 K(o=0.28,f=-0.39) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.61) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.685 K(o=0.68,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.491 USER MOD Single : A 73 CYS SG : rot -60:sc= 0.798 USER MOD Single : A 75 ASN : amide:sc= 0.861 K(o=0.86,f=-0.038) USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 82 MET CE :methyl 178:sc= -0.519 (180deg=-0.536) USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.19) USER MOD Single : A 91 CYS SG : rot 76:sc= 0.298 USER MOD Single : A 93 MET CE :methyl 166:sc= 0 (180deg=-0.325) USER MOD Single : A 97 MET CE :methyl -158:sc=-0.00514 (180deg=-1.66) USER MOD Single : A 100 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.589) USER MOD Single : A 102 MET CE :methyl -160:sc= -0.768 (180deg=-1.26) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.14) USER MOD Single : A 111 CYS SG : rot 87:sc= 0.337 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 134 SER OG : rot 71:sc= 1.25 USER MOD Single : A 137 GLN : amide:sc=-0.00544 K(o=-0.0054,f=-0.8) USER MOD Single : A 140 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -4.824 8.677 -11.550 1.00 0.00 N ATOM 19 CA PHE A 2 -4.981 7.218 -11.499 1.00 0.00 C ATOM 20 C PHE A 2 -6.398 6.806 -11.083 1.00 0.00 C ATOM 21 O PHE A 2 -6.929 5.836 -11.618 1.00 0.00 O ATOM 22 CB PHE A 2 -3.964 6.604 -10.526 1.00 0.00 C ATOM 23 CG PHE A 2 -2.515 7.029 -10.710 1.00 0.00 C ATOM 24 CD1 PHE A 2 -1.912 7.019 -11.985 1.00 0.00 C ATOM 25 CD2 PHE A 2 -1.760 7.431 -9.591 1.00 0.00 C ATOM 26 CE1 PHE A 2 -0.568 7.407 -12.134 1.00 0.00 C ATOM 27 CE2 PHE A 2 -0.418 7.823 -9.741 1.00 0.00 C ATOM 28 CZ PHE A 2 0.180 7.809 -11.013 1.00 0.00 C ATOM 0 HA PHE A 2 -4.802 6.842 -12.506 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.268 6.855 -9.510 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.016 5.519 -10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.483 6.713 -12.849 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -2.215 7.438 -8.611 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.109 7.396 -13.112 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.153 8.135 -8.879 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.212 8.106 -11.129 1.00 0.00 H new ATOM 38 N ASN A 3 -7.004 7.564 -10.155 1.00 0.00 N ATOM 39 CA ASN A 3 -8.322 7.386 -9.532 1.00 0.00 C ATOM 40 C ASN A 3 -8.520 6.078 -8.753 1.00 0.00 C ATOM 41 O ASN A 3 -9.003 6.142 -7.624 1.00 0.00 O ATOM 42 CB ASN A 3 -9.456 7.597 -10.548 1.00 0.00 C ATOM 43 CG ASN A 3 -10.820 7.430 -9.880 1.00 0.00 C ATOM 44 OD1 ASN A 3 -11.452 6.384 -9.990 1.00 0.00 O ATOM 45 ND2 ASN A 3 -11.296 8.443 -9.173 1.00 0.00 N ATOM 0 H ASN A 3 -6.538 8.394 -9.789 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.362 8.167 -8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.379 8.593 -10.984 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.356 6.883 -11.365 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.201 8.361 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.758 9.306 -9.092 1.00 0.00 H new ATOM 52 N ASN A 4 -8.140 4.927 -9.313 1.00 0.00 N ATOM 53 CA ASN A 4 -8.460 3.609 -8.770 1.00 0.00 C ATOM 54 C ASN A 4 -7.141 2.857 -8.613 1.00 0.00 C ATOM 55 O ASN A 4 -6.498 2.532 -9.614 1.00 0.00 O ATOM 56 CB ASN A 4 -9.432 2.895 -9.726 1.00 0.00 C ATOM 57 CG ASN A 4 -9.991 1.614 -9.121 1.00 0.00 C ATOM 58 OD1 ASN A 4 -10.233 1.539 -7.923 1.00 0.00 O ATOM 59 ND2 ASN A 4 -10.221 0.588 -9.922 1.00 0.00 N ATOM 0 H ASN A 4 -7.591 4.887 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.952 3.668 -7.799 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.254 3.566 -9.975 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.917 2.661 -10.658 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.604 -0.278 -9.544 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.015 0.663 -10.918 1.00 0.00 H new ATOM 66 N ILE A 5 -6.727 2.598 -7.371 1.00 0.00 N ATOM 67 CA ILE A 5 -5.384 2.115 -7.046 1.00 0.00 C ATOM 68 C ILE A 5 -5.485 0.873 -6.150 1.00 0.00 C ATOM 69 O ILE A 5 -6.418 0.752 -5.351 1.00 0.00 O ATOM 70 CB ILE A 5 -4.622 3.275 -6.342 1.00 0.00 C ATOM 71 CG1 ILE A 5 -4.574 4.550 -7.226 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.198 2.889 -5.889 1.00 0.00 C ATOM 73 CD1 ILE A 5 -3.931 5.761 -6.545 1.00 0.00 C ATOM 0 H ILE A 5 -7.323 2.720 -6.552 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.840 1.822 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.196 3.490 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.023 4.325 -8.139 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.590 4.811 -7.523 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.725 3.744 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.253 2.059 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.609 2.590 -6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.937 6.609 -7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.494 6.015 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.903 5.522 -6.273 1.00 0.00 H new ATOM 85 N LEU A 6 -4.490 -0.014 -6.239 1.00 0.00 N ATOM 86 CA LEU A 6 -4.374 -1.187 -5.373 1.00 0.00 C ATOM 87 C LEU A 6 -3.027 -1.115 -4.648 1.00 0.00 C ATOM 88 O LEU A 6 -2.037 -0.670 -5.233 1.00 0.00 O ATOM 89 CB LEU A 6 -4.450 -2.471 -6.228 1.00 0.00 C ATOM 90 CG LEU A 6 -5.316 -3.616 -5.673 1.00 0.00 C ATOM 91 CD1 LEU A 6 -5.141 -4.852 -6.565 1.00 0.00 C ATOM 92 CD2 LEU A 6 -4.989 -4.030 -4.241 1.00 0.00 C ATOM 0 H LEU A 6 -3.736 0.064 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.186 -1.206 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.830 -2.202 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.437 -2.847 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.337 -3.234 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.751 -5.669 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.454 -4.614 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.093 -5.153 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.650 -4.842 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.953 -4.365 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.130 -3.179 -3.575 1.00 0.00 H new ATOM 104 N VAL A 7 -2.964 -1.604 -3.413 1.00 0.00 N ATOM 105 CA VAL A 7 -1.719 -1.766 -2.674 1.00 0.00 C ATOM 106 C VAL A 7 -1.596 -3.250 -2.335 1.00 0.00 C ATOM 107 O VAL A 7 -2.568 -3.863 -1.888 1.00 0.00 O ATOM 108 CB VAL A 7 -1.706 -0.875 -1.417 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.335 -0.957 -0.732 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.995 0.603 -1.738 1.00 0.00 C ATOM 0 H VAL A 7 -3.788 -1.903 -2.892 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.862 -1.450 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.495 -1.246 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.333 -0.325 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.134 -1.989 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.437 -0.616 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.974 1.186 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.237 0.981 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.979 0.689 -2.200 1.00 0.00 H new ATOM 120 N VAL A 8 -0.419 -3.833 -2.561 1.00 0.00 N ATOM 121 CA VAL A 8 -0.227 -5.274 -2.485 1.00 0.00 C ATOM 122 C VAL A 8 1.028 -5.528 -1.653 1.00 0.00 C ATOM 123 O VAL A 8 2.082 -4.983 -1.976 1.00 0.00 O ATOM 124 CB VAL A 8 -0.105 -5.854 -3.913 1.00 0.00 C ATOM 125 CG1 VAL A 8 -0.080 -7.389 -3.875 1.00 0.00 C ATOM 126 CG2 VAL A 8 -1.259 -5.434 -4.840 1.00 0.00 C ATOM 0 H VAL A 8 0.426 -3.316 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.074 -5.768 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 8 0.827 -5.451 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.006 -7.777 -4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.773 -7.725 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.001 -7.757 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.112 -5.875 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.205 -5.782 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.279 -4.348 -4.927 1.00 0.00 H new ATOM 136 N CYS A 9 0.937 -6.362 -0.613 1.00 0.00 N ATOM 137 CA CYS A 9 2.086 -6.676 0.248 1.00 0.00 C ATOM 138 C CYS A 9 2.166 -8.181 0.511 1.00 0.00 C ATOM 139 O CYS A 9 1.271 -8.923 0.118 1.00 0.00 O ATOM 140 CB CYS A 9 1.959 -5.917 1.579 1.00 0.00 C ATOM 141 SG CYS A 9 1.745 -4.139 1.299 1.00 0.00 S ATOM 0 H CYS A 9 0.075 -6.836 -0.344 1.00 0.00 H new ATOM 0 HA CYS A 9 2.999 -6.365 -0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.110 -6.304 2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.849 -6.088 2.185 1.00 0.00 H new ATOM 0 HG CYS A 9 2.897 -3.600 1.031 1.00 0.00 H new ATOM 147 N VAL A 10 3.208 -8.661 1.195 1.00 0.00 N ATOM 148 CA VAL A 10 3.212 -10.047 1.669 1.00 0.00 C ATOM 149 C VAL A 10 2.241 -10.163 2.857 1.00 0.00 C ATOM 150 O VAL A 10 1.431 -11.088 2.890 1.00 0.00 O ATOM 151 CB VAL A 10 4.651 -10.546 1.935 1.00 0.00 C ATOM 152 CG1 VAL A 10 5.451 -9.683 2.919 1.00 0.00 C ATOM 153 CG2 VAL A 10 4.673 -12.012 2.387 1.00 0.00 C ATOM 0 H VAL A 10 4.043 -8.124 1.429 1.00 0.00 H new ATOM 0 HA VAL A 10 2.844 -10.726 0.900 1.00 0.00 H new ATOM 0 HB VAL A 10 5.150 -10.457 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.448 -10.106 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.534 -8.669 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.940 -9.661 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.703 -12.323 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.099 -12.117 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.232 -12.639 1.611 1.00 0.00 H new ATOM 163 N GLY A 11 2.247 -9.179 3.771 1.00 0.00 N ATOM 164 CA GLY A 11 1.388 -9.167 4.954 1.00 0.00 C ATOM 165 C GLY A 11 0.248 -8.181 4.764 1.00 0.00 C ATOM 166 O GLY A 11 0.188 -7.143 5.429 1.00 0.00 O ATOM 0 H GLY A 11 2.856 -8.364 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.989 -10.165 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.971 -8.895 5.833 1.00 0.00 H new ATOM 170 N ASN A 12 -0.632 -8.515 3.814 1.00 0.00 N ATOM 171 CA ASN A 12 -1.845 -7.749 3.502 1.00 0.00 C ATOM 172 C ASN A 12 -2.540 -7.171 4.733 1.00 0.00 C ATOM 173 O ASN A 12 -2.953 -6.020 4.679 1.00 0.00 O ATOM 174 CB ASN A 12 -2.815 -8.671 2.742 1.00 0.00 C ATOM 175 CG ASN A 12 -4.122 -8.064 2.223 1.00 0.00 C ATOM 176 OD1 ASN A 12 -4.819 -8.723 1.467 1.00 0.00 O ATOM 177 ND2 ASN A 12 -4.542 -6.867 2.591 1.00 0.00 N ATOM 0 H ASN A 12 -0.519 -9.342 3.228 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.546 -6.893 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.280 -9.090 1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.070 -9.502 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.432 -6.510 2.244 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.976 -6.300 3.222 1.00 0.00 H new ATOM 184 N ILE A 13 -2.673 -7.925 5.828 1.00 0.00 N ATOM 185 CA ILE A 13 -3.441 -7.516 7.008 1.00 0.00 C ATOM 186 C ILE A 13 -2.929 -6.234 7.695 1.00 0.00 C ATOM 187 O ILE A 13 -3.572 -5.771 8.636 1.00 0.00 O ATOM 188 CB ILE A 13 -3.540 -8.687 8.017 1.00 0.00 C ATOM 189 CG1 ILE A 13 -2.158 -9.098 8.576 1.00 0.00 C ATOM 190 CG2 ILE A 13 -4.281 -9.880 7.383 1.00 0.00 C ATOM 191 CD1 ILE A 13 -2.243 -10.133 9.706 1.00 0.00 C ATOM 0 H ILE A 13 -2.246 -8.847 5.921 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.435 -7.260 6.641 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.121 -8.341 8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.552 -9.504 7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.644 -8.210 8.944 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.343 -10.695 8.104 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.287 -9.573 7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.739 -10.217 6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.239 -10.377 10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.822 -9.722 10.533 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.729 -11.036 9.336 1.00 0.00 H new ATOM 203 N CYS A 14 -1.790 -5.661 7.289 1.00 0.00 N ATOM 204 CA CYS A 14 -1.212 -4.508 7.979 1.00 0.00 C ATOM 205 C CYS A 14 -0.602 -3.480 7.029 1.00 0.00 C ATOM 206 O CYS A 14 -0.928 -2.296 7.130 1.00 0.00 O ATOM 207 CB CYS A 14 -0.193 -4.989 9.027 1.00 0.00 C ATOM 208 SG CYS A 14 1.059 -6.137 8.372 1.00 0.00 S ATOM 0 H CYS A 14 -1.251 -5.980 6.484 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.026 -3.986 8.483 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.312 -4.122 9.452 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.728 -5.478 9.841 1.00 0.00 H new ATOM 0 HG CYS A 14 0.702 -6.540 7.189 1.00 0.00 H new ATOM 214 N ARG A 15 0.260 -3.891 6.096 1.00 0.00 N ATOM 215 CA ARG A 15 1.026 -2.934 5.291 1.00 0.00 C ATOM 216 C ARG A 15 0.105 -2.275 4.265 1.00 0.00 C ATOM 217 O ARG A 15 0.037 -1.044 4.218 1.00 0.00 O ATOM 218 CB ARG A 15 2.232 -3.643 4.647 1.00 0.00 C ATOM 219 CG ARG A 15 3.267 -4.080 5.699 1.00 0.00 C ATOM 220 CD ARG A 15 4.271 -5.112 5.167 1.00 0.00 C ATOM 221 NE ARG A 15 5.503 -4.515 4.614 1.00 0.00 N ATOM 222 CZ ARG A 15 6.442 -5.201 3.949 1.00 0.00 C ATOM 223 NH1 ARG A 15 6.379 -6.517 3.808 1.00 0.00 N ATOM 224 NH2 ARG A 15 7.496 -4.606 3.423 1.00 0.00 N ATOM 0 H ARG A 15 0.445 -4.871 5.880 1.00 0.00 H new ATOM 0 HA ARG A 15 1.425 -2.139 5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.887 -4.516 4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.705 -2.975 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.810 -3.203 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.746 -4.500 6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.539 -5.794 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.789 -5.709 4.393 1.00 0.00 H new ATOM 0 HE ARG A 15 5.649 -3.514 4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.599 -7.036 4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.110 -7.011 3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.612 -3.597 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.195 -5.155 2.922 1.00 0.00 H new ATOM 238 N SER A 16 -0.655 -3.076 3.513 1.00 0.00 N ATOM 239 CA SER A 16 -1.593 -2.566 2.524 1.00 0.00 C ATOM 240 C SER A 16 -2.609 -1.571 3.124 1.00 0.00 C ATOM 241 O SER A 16 -2.658 -0.445 2.626 1.00 0.00 O ATOM 242 CB SER A 16 -2.267 -3.729 1.781 1.00 0.00 C ATOM 243 OG SER A 16 -1.334 -4.739 1.428 1.00 0.00 O ATOM 0 H SER A 16 -0.633 -4.094 3.577 1.00 0.00 H new ATOM 0 HA SER A 16 -1.027 -1.987 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.047 -4.158 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.753 -3.353 0.881 1.00 0.00 H new ATOM 0 HG SER A 16 -0.433 -4.355 1.394 1.00 0.00 H new ATOM 249 N PRO A 17 -3.361 -1.879 4.208 1.00 0.00 N ATOM 250 CA PRO A 17 -4.376 -0.967 4.719 1.00 0.00 C ATOM 251 C PRO A 17 -3.786 0.307 5.322 1.00 0.00 C ATOM 252 O PRO A 17 -4.441 1.347 5.274 1.00 0.00 O ATOM 253 CB PRO A 17 -5.190 -1.744 5.757 1.00 0.00 C ATOM 254 CG PRO A 17 -4.263 -2.876 6.183 1.00 0.00 C ATOM 255 CD PRO A 17 -3.471 -3.146 4.907 1.00 0.00 C ATOM 0 HA PRO A 17 -5.004 -0.625 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.464 -1.113 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.118 -2.127 5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.615 -2.582 7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.818 -3.755 6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.484 -3.546 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.976 -3.887 4.288 1.00 0.00 H new ATOM 263 N THR A 18 -2.569 0.266 5.872 1.00 0.00 N ATOM 264 CA THR A 18 -1.947 1.466 6.417 1.00 0.00 C ATOM 265 C THR A 18 -1.715 2.464 5.275 1.00 0.00 C ATOM 266 O THR A 18 -2.148 3.616 5.369 1.00 0.00 O ATOM 267 CB THR A 18 -0.673 1.090 7.195 1.00 0.00 C ATOM 268 OG1 THR A 18 -0.990 0.159 8.213 1.00 0.00 O ATOM 269 CG2 THR A 18 -0.041 2.306 7.875 1.00 0.00 C ATOM 0 H THR A 18 -2.003 -0.579 5.949 1.00 0.00 H new ATOM 0 HA THR A 18 -2.598 1.958 7.140 1.00 0.00 H new ATOM 0 HB THR A 18 0.028 0.671 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.039 -0.741 7.829 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.855 1.997 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.226 3.047 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.753 2.742 8.576 1.00 0.00 H new ATOM 277 N ALA A 19 -1.124 2.014 4.161 1.00 0.00 N ATOM 278 CA ALA A 19 -0.952 2.851 2.979 1.00 0.00 C ATOM 279 C ALA A 19 -2.297 3.285 2.399 1.00 0.00 C ATOM 280 O ALA A 19 -2.456 4.459 2.067 1.00 0.00 O ATOM 281 CB ALA A 19 -0.179 2.077 1.919 1.00 0.00 C ATOM 0 H ALA A 19 -0.757 1.068 4.059 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.402 3.744 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.050 2.701 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.798 1.798 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.732 1.177 1.650 1.00 0.00 H new ATOM 287 N GLU A 20 -3.245 2.349 2.280 1.00 0.00 N ATOM 288 CA GLU A 20 -4.573 2.615 1.739 1.00 0.00 C ATOM 289 C GLU A 20 -5.192 3.811 2.455 1.00 0.00 C ATOM 290 O GLU A 20 -5.554 4.801 1.821 1.00 0.00 O ATOM 291 CB GLU A 20 -5.441 1.353 1.910 1.00 0.00 C ATOM 292 CG GLU A 20 -6.871 1.473 1.374 1.00 0.00 C ATOM 293 CD GLU A 20 -7.739 0.279 1.811 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.472 -0.857 1.358 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.673 0.476 2.628 1.00 0.00 O ATOM 0 H GLU A 20 -3.106 1.378 2.560 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.508 2.857 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.949 0.521 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.486 1.102 2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.318 2.400 1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.849 1.529 0.286 1.00 0.00 H new ATOM 302 N ARG A 21 -5.284 3.747 3.783 1.00 0.00 N ATOM 303 CA ARG A 21 -5.998 4.760 4.543 1.00 0.00 C ATOM 304 C ARG A 21 -5.223 6.065 4.602 1.00 0.00 C ATOM 305 O ARG A 21 -5.847 7.122 4.567 1.00 0.00 O ATOM 306 CB ARG A 21 -6.326 4.225 5.941 1.00 0.00 C ATOM 307 CG ARG A 21 -7.268 3.012 5.927 1.00 0.00 C ATOM 308 CD ARG A 21 -8.660 3.281 5.334 1.00 0.00 C ATOM 309 NE ARG A 21 -9.253 2.020 4.876 1.00 0.00 N ATOM 310 CZ ARG A 21 -9.997 1.160 5.572 1.00 0.00 C ATOM 311 NH1 ARG A 21 -10.365 1.412 6.826 1.00 0.00 N ATOM 312 NH2 ARG A 21 -10.351 0.045 4.951 1.00 0.00 N ATOM 0 H ARG A 21 -4.873 3.005 4.349 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.935 4.982 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.398 3.949 6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.781 5.022 6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.796 2.210 5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.388 2.651 6.949 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.302 3.745 6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.583 3.981 4.502 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.074 1.770 3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.078 2.280 7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.935 0.737 7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.054 -0.119 3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.920 -0.649 5.435 1.00 0.00 H new ATOM 326 N LEU A 22 -3.890 6.026 4.629 1.00 0.00 N ATOM 327 CA LEU A 22 -3.087 7.242 4.542 1.00 0.00 C ATOM 328 C LEU A 22 -3.342 7.957 3.214 1.00 0.00 C ATOM 329 O LEU A 22 -3.498 9.178 3.198 1.00 0.00 O ATOM 330 CB LEU A 22 -1.600 6.898 4.705 1.00 0.00 C ATOM 331 CG LEU A 22 -1.199 6.706 6.180 1.00 0.00 C ATOM 332 CD1 LEU A 22 0.140 5.971 6.246 1.00 0.00 C ATOM 333 CD2 LEU A 22 -1.091 8.062 6.893 1.00 0.00 C ATOM 0 H LEU A 22 -3.347 5.167 4.710 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.376 7.918 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.378 5.987 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.996 7.693 4.268 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.966 6.117 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.428 5.833 7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.045 4.998 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.903 6.557 5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.807 7.904 7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.336 8.674 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.054 8.572 6.853 1.00 0.00 H new ATOM 345 N LEU A 23 -3.436 7.215 2.107 1.00 0.00 N ATOM 346 CA LEU A 23 -3.760 7.790 0.808 1.00 0.00 C ATOM 347 C LEU A 23 -5.198 8.308 0.789 1.00 0.00 C ATOM 348 O LEU A 23 -5.416 9.398 0.265 1.00 0.00 O ATOM 349 CB LEU A 23 -3.524 6.771 -0.316 1.00 0.00 C ATOM 350 CG LEU A 23 -2.034 6.563 -0.652 1.00 0.00 C ATOM 351 CD1 LEU A 23 -1.857 5.279 -1.470 1.00 0.00 C ATOM 352 CD2 LEU A 23 -1.450 7.750 -1.437 1.00 0.00 C ATOM 0 H LEU A 23 -3.290 6.206 2.090 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.096 8.637 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.960 5.815 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.048 7.102 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.495 6.484 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.802 5.139 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.217 4.427 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.426 5.356 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.398 7.561 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.996 7.872 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.541 8.659 -0.843 1.00 0.00 H new ATOM 364 N GLN A 24 -6.165 7.602 1.393 1.00 0.00 N ATOM 365 CA GLN A 24 -7.530 8.117 1.526 1.00 0.00 C ATOM 366 C GLN A 24 -7.534 9.441 2.304 1.00 0.00 C ATOM 367 O GLN A 24 -8.232 10.371 1.911 1.00 0.00 O ATOM 368 CB GLN A 24 -8.474 7.116 2.222 1.00 0.00 C ATOM 369 CG GLN A 24 -8.808 5.829 1.445 1.00 0.00 C ATOM 370 CD GLN A 24 -9.373 6.066 0.044 1.00 0.00 C ATOM 371 OE1 GLN A 24 -8.920 5.468 -0.924 1.00 0.00 O ATOM 372 NE2 GLN A 24 -10.368 6.921 -0.113 1.00 0.00 N ATOM 0 H GLN A 24 -6.025 6.675 1.795 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.900 8.279 0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.027 6.832 3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.408 7.630 2.448 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.905 5.224 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.529 5.248 2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.745 7.419 0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.759 7.083 -1.041 1.00 0.00 H new ATOM 381 N ARG A 25 -6.765 9.554 3.394 1.00 0.00 N ATOM 382 CA ARG A 25 -6.699 10.781 4.182 1.00 0.00 C ATOM 383 C ARG A 25 -6.122 11.926 3.349 1.00 0.00 C ATOM 384 O ARG A 25 -6.687 13.020 3.365 1.00 0.00 O ATOM 385 CB ARG A 25 -5.931 10.533 5.495 1.00 0.00 C ATOM 386 CG ARG A 25 -5.711 11.820 6.312 1.00 0.00 C ATOM 387 CD ARG A 25 -5.400 11.542 7.790 1.00 0.00 C ATOM 388 NE ARG A 25 -6.627 11.233 8.550 1.00 0.00 N ATOM 389 CZ ARG A 25 -6.699 10.878 9.841 1.00 0.00 C ATOM 390 NH1 ARG A 25 -5.599 10.733 10.573 1.00 0.00 N ATOM 391 NH2 ARG A 25 -7.891 10.650 10.382 1.00 0.00 N ATOM 0 H ARG A 25 -6.176 8.800 3.749 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.706 11.087 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.481 9.813 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.964 10.084 5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.890 12.387 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.602 12.444 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.703 10.707 7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.907 12.409 8.229 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.509 11.296 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.683 10.892 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.671 10.462 11.554 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.734 10.746 9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.963 10.379 11.363 1.00 0.00 H new ATOM 405 N TYR A 26 -5.026 11.698 2.617 1.00 0.00 N ATOM 406 CA TYR A 26 -4.402 12.754 1.825 1.00 0.00 C ATOM 407 C TYR A 26 -5.197 13.108 0.560 1.00 0.00 C ATOM 408 O TYR A 26 -5.137 14.258 0.124 1.00 0.00 O ATOM 409 CB TYR A 26 -2.940 12.403 1.500 1.00 0.00 C ATOM 410 CG TYR A 26 -1.962 12.746 2.615 1.00 0.00 C ATOM 411 CD1 TYR A 26 -1.887 14.076 3.078 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.118 11.767 3.178 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.014 14.420 4.120 1.00 0.00 C ATOM 414 CE2 TYR A 26 -0.211 12.112 4.202 1.00 0.00 C ATOM 415 CZ TYR A 26 -0.169 13.442 4.689 1.00 0.00 C ATOM 416 OH TYR A 26 0.680 13.823 5.681 1.00 0.00 O ATOM 0 H TYR A 26 -4.557 10.794 2.559 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.409 13.654 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.872 11.337 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.643 12.931 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.507 14.836 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.166 10.748 2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.988 15.435 4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.450 11.364 4.614 1.00 0.00 H new ATOM 0 HH TYR A 26 1.178 13.043 6.003 1.00 0.00 H new ATOM 426 N HIS A 27 -5.963 12.174 -0.008 1.00 0.00 N ATOM 427 CA HIS A 27 -6.791 12.378 -1.192 1.00 0.00 C ATOM 428 C HIS A 27 -8.110 11.612 -1.010 1.00 0.00 C ATOM 429 O HIS A 27 -8.230 10.482 -1.487 1.00 0.00 O ATOM 430 CB HIS A 27 -6.043 11.920 -2.461 1.00 0.00 C ATOM 431 CG HIS A 27 -5.085 12.931 -3.040 1.00 0.00 C ATOM 432 ND1 HIS A 27 -5.420 14.041 -3.787 1.00 0.00 N ATOM 433 CD2 HIS A 27 -3.717 12.866 -3.011 1.00 0.00 C ATOM 434 CE1 HIS A 27 -4.284 14.635 -4.182 1.00 0.00 C ATOM 435 NE2 HIS A 27 -3.215 13.954 -3.735 1.00 0.00 N ATOM 0 H HIS A 27 -6.024 11.224 0.358 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.011 13.439 -1.314 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.490 11.010 -2.229 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.778 11.661 -3.223 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -6.366 14.355 -4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.128 12.108 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.235 15.535 -4.777 1.00 0.00 H new ATOM 443 N PRO A 28 -9.126 12.201 -0.349 1.00 0.00 N ATOM 444 CA PRO A 28 -10.458 11.604 -0.233 1.00 0.00 C ATOM 445 C PRO A 28 -11.098 11.256 -1.587 1.00 0.00 C ATOM 446 O PRO A 28 -11.969 10.388 -1.657 1.00 0.00 O ATOM 447 CB PRO A 28 -11.303 12.633 0.527 1.00 0.00 C ATOM 448 CG PRO A 28 -10.272 13.425 1.328 1.00 0.00 C ATOM 449 CD PRO A 28 -9.060 13.447 0.401 1.00 0.00 C ATOM 0 HA PRO A 28 -10.393 10.648 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.861 13.275 -0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.032 12.151 1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.624 14.431 1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.044 12.944 2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.090 14.309 -0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.132 13.515 0.969 1.00 0.00 H new ATOM 457 N GLU A 29 -10.671 11.936 -2.657 1.00 0.00 N ATOM 458 CA GLU A 29 -11.139 11.689 -4.018 1.00 0.00 C ATOM 459 C GLU A 29 -10.673 10.333 -4.580 1.00 0.00 C ATOM 460 O GLU A 29 -11.279 9.831 -5.530 1.00 0.00 O ATOM 461 CB GLU A 29 -10.662 12.848 -4.914 1.00 0.00 C ATOM 462 CG GLU A 29 -9.136 12.871 -5.121 1.00 0.00 C ATOM 463 CD GLU A 29 -8.631 14.230 -5.627 1.00 0.00 C ATOM 464 OE1 GLU A 29 -8.974 14.642 -6.759 1.00 0.00 O ATOM 465 OE2 GLU A 29 -7.863 14.885 -4.886 1.00 0.00 O ATOM 0 H GLU A 29 -9.980 12.684 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.228 11.641 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.152 12.773 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.976 13.793 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.641 12.631 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.858 12.095 -5.834 1.00 0.00 H new ATOM 472 N LEU A 30 -9.595 9.748 -4.040 1.00 0.00 N ATOM 473 CA LEU A 30 -9.045 8.492 -4.540 1.00 0.00 C ATOM 474 C LEU A 30 -9.864 7.299 -4.054 1.00 0.00 C ATOM 475 O LEU A 30 -10.521 7.343 -3.008 1.00 0.00 O ATOM 476 CB LEU A 30 -7.588 8.288 -4.065 1.00 0.00 C ATOM 477 CG LEU A 30 -6.495 8.928 -4.932 1.00 0.00 C ATOM 478 CD1 LEU A 30 -5.129 8.674 -4.281 1.00 0.00 C ATOM 479 CD2 LEU A 30 -6.495 8.337 -6.348 1.00 0.00 C ATOM 0 H LEU A 30 -9.085 10.135 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.078 8.551 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.499 8.685 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.394 7.217 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.692 9.998 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.346 9.125 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.113 9.115 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.956 7.600 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.711 8.809 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.313 7.264 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.462 8.518 -6.818 1.00 0.00 H new ATOM 491 N LYS A 31 -9.739 6.208 -4.810 1.00 0.00 N ATOM 492 CA LYS A 31 -10.222 4.893 -4.432 1.00 0.00 C ATOM 493 C LYS A 31 -8.957 4.059 -4.330 1.00 0.00 C ATOM 494 O LYS A 31 -8.325 3.776 -5.347 1.00 0.00 O ATOM 495 CB LYS A 31 -11.185 4.364 -5.509 1.00 0.00 C ATOM 496 CG LYS A 31 -11.609 2.894 -5.333 1.00 0.00 C ATOM 497 CD LYS A 31 -12.310 2.606 -3.997 1.00 0.00 C ATOM 498 CE LYS A 31 -13.038 1.257 -4.080 1.00 0.00 C ATOM 499 NZ LYS A 31 -13.646 0.857 -2.787 1.00 0.00 N ATOM 0 H LYS A 31 -9.287 6.222 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.786 4.879 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.079 4.987 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.713 4.477 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.276 2.618 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.727 2.259 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.580 2.588 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.020 3.401 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.816 1.314 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.335 0.488 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.376 0.136 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.911 0.467 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.078 1.688 -2.335 1.00 0.00 H new ATOM 513 N VAL A 32 -8.572 3.695 -3.114 1.00 0.00 N ATOM 514 CA VAL A 32 -7.430 2.833 -2.872 1.00 0.00 C ATOM 515 C VAL A 32 -7.969 1.600 -2.153 1.00 0.00 C ATOM 516 O VAL A 32 -8.874 1.694 -1.321 1.00 0.00 O ATOM 517 CB VAL A 32 -6.323 3.573 -2.089 1.00 0.00 C ATOM 518 CG1 VAL A 32 -5.023 2.754 -2.096 1.00 0.00 C ATOM 519 CG2 VAL A 32 -6.010 4.956 -2.690 1.00 0.00 C ATOM 0 H VAL A 32 -9.049 3.994 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.945 2.530 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.698 3.701 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.253 3.289 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.201 1.785 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.692 2.606 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.226 5.438 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.674 4.837 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.908 5.573 -2.670 1.00 0.00 H new ATOM 529 N GLU A 33 -7.417 0.445 -2.505 1.00 0.00 N ATOM 530 CA GLU A 33 -7.814 -0.843 -1.958 1.00 0.00 C ATOM 531 C GLU A 33 -6.552 -1.653 -1.652 1.00 0.00 C ATOM 532 O GLU A 33 -5.447 -1.263 -2.042 1.00 0.00 O ATOM 533 CB GLU A 33 -8.707 -1.554 -2.991 1.00 0.00 C ATOM 534 CG GLU A 33 -10.151 -1.022 -3.010 1.00 0.00 C ATOM 535 CD GLU A 33 -10.932 -1.321 -1.720 1.00 0.00 C ATOM 536 OE1 GLU A 33 -10.803 -2.441 -1.174 1.00 0.00 O ATOM 537 OE2 GLU A 33 -11.732 -0.458 -1.291 1.00 0.00 O ATOM 0 H GLU A 33 -6.666 0.378 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.379 -0.728 -1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.270 -1.436 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.723 -2.622 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.131 0.056 -3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.680 -1.461 -3.856 1.00 0.00 H new ATOM 544 N SER A 34 -6.728 -2.799 -0.990 1.00 0.00 N ATOM 545 CA SER A 34 -5.622 -3.628 -0.523 1.00 0.00 C ATOM 546 C SER A 34 -5.749 -5.073 -1.009 1.00 0.00 C ATOM 547 O SER A 34 -6.864 -5.561 -1.217 1.00 0.00 O ATOM 548 CB SER A 34 -5.648 -3.627 1.004 1.00 0.00 C ATOM 549 OG SER A 34 -5.367 -2.359 1.549 1.00 0.00 O ATOM 0 H SER A 34 -7.648 -3.177 -0.763 1.00 0.00 H new ATOM 0 HA SER A 34 -4.691 -3.220 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.628 -3.957 1.347 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.921 -4.348 1.377 1.00 0.00 H new ATOM 0 HG SER A 34 -6.205 -1.918 1.801 1.00 0.00 H new ATOM 555 N ALA A 35 -4.611 -5.756 -1.146 1.00 0.00 N ATOM 556 CA ALA A 35 -4.517 -7.195 -1.382 1.00 0.00 C ATOM 557 C ALA A 35 -3.114 -7.643 -0.922 1.00 0.00 C ATOM 558 O ALA A 35 -2.343 -6.845 -0.368 1.00 0.00 O ATOM 559 CB ALA A 35 -4.745 -7.506 -2.872 1.00 0.00 C ATOM 0 H ALA A 35 -3.698 -5.305 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.282 -7.735 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.672 -8.581 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.735 -7.160 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.989 -6.997 -3.470 1.00 0.00 H new ATOM 565 N GLY A 36 -2.734 -8.897 -1.178 1.00 0.00 N ATOM 566 CA GLY A 36 -1.359 -9.323 -0.971 1.00 0.00 C ATOM 567 C GLY A 36 -0.967 -10.613 -1.668 1.00 0.00 C ATOM 568 O GLY A 36 -1.821 -11.404 -2.062 1.00 0.00 O ATOM 0 H GLY A 36 -3.357 -9.626 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.695 -8.529 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.190 -9.442 0.099 1.00 0.00 H new ATOM 572 N LEU A 37 0.345 -10.818 -1.804 1.00 0.00 N ATOM 573 CA LEU A 37 0.910 -12.031 -2.396 1.00 0.00 C ATOM 574 C LEU A 37 0.705 -13.210 -1.444 1.00 0.00 C ATOM 575 O LEU A 37 0.189 -14.246 -1.861 1.00 0.00 O ATOM 576 CB LEU A 37 2.409 -11.818 -2.698 1.00 0.00 C ATOM 577 CG LEU A 37 2.661 -10.960 -3.956 1.00 0.00 C ATOM 578 CD1 LEU A 37 4.086 -10.401 -3.947 1.00 0.00 C ATOM 579 CD2 LEU A 37 2.460 -11.766 -5.247 1.00 0.00 C ATOM 0 H LEU A 37 1.049 -10.143 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 37 0.401 -12.252 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.881 -11.340 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.888 -12.788 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 37 1.937 -10.146 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.246 -9.799 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.228 -9.781 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.800 -11.225 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.647 -11.125 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.153 -12.607 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.437 -12.139 -5.287 1.00 0.00 H new ATOM 591 N GLY A 38 1.036 -13.026 -0.161 1.00 0.00 N ATOM 592 CA GLY A 38 0.912 -14.058 0.870 1.00 0.00 C ATOM 593 C GLY A 38 -0.224 -13.725 1.837 1.00 0.00 C ATOM 594 O GLY A 38 -0.115 -13.988 3.037 1.00 0.00 O ATOM 0 H GLY A 38 1.403 -12.143 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.726 -15.025 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.850 -14.144 1.419 1.00 0.00 H new ATOM 598 N ALA A 39 -1.280 -13.089 1.316 1.00 0.00 N ATOM 599 CA ALA A 39 -2.408 -12.633 2.115 1.00 0.00 C ATOM 600 C ALA A 39 -3.165 -13.804 2.755 1.00 0.00 C ATOM 601 O ALA A 39 -3.035 -14.960 2.342 1.00 0.00 O ATOM 602 CB ALA A 39 -3.365 -11.842 1.221 1.00 0.00 C ATOM 0 H ALA A 39 -1.370 -12.878 0.322 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.022 -12.005 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.213 -11.497 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.843 -10.983 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.722 -12.482 0.414 1.00 0.00 H new ATOM 608 N LEU A 40 -4.032 -13.464 3.711 1.00 0.00 N ATOM 609 CA LEU A 40 -4.849 -14.420 4.451 1.00 0.00 C ATOM 610 C LEU A 40 -6.299 -14.057 4.152 1.00 0.00 C ATOM 611 O LEU A 40 -6.883 -13.208 4.823 1.00 0.00 O ATOM 612 CB LEU A 40 -4.518 -14.353 5.955 1.00 0.00 C ATOM 613 CG LEU A 40 -3.097 -14.836 6.316 1.00 0.00 C ATOM 614 CD1 LEU A 40 -2.823 -14.577 7.801 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.889 -16.325 6.017 1.00 0.00 C ATOM 0 H LEU A 40 -4.187 -12.497 3.996 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.655 -15.450 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.637 -13.324 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.243 -14.955 6.502 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.400 -14.273 5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.819 -14.920 8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.903 -13.509 8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.552 -15.118 8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.873 -16.612 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.600 -16.915 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.045 -16.508 4.954 1.00 0.00 H new ATOM 627 N VAL A 41 -6.834 -14.626 3.070 1.00 0.00 N ATOM 628 CA VAL A 41 -8.153 -14.275 2.556 1.00 0.00 C ATOM 629 C VAL A 41 -9.220 -14.320 3.662 1.00 0.00 C ATOM 630 O VAL A 41 -9.345 -15.307 4.391 1.00 0.00 O ATOM 631 CB VAL A 41 -8.475 -15.118 1.300 1.00 0.00 C ATOM 632 CG1 VAL A 41 -8.497 -16.636 1.541 1.00 0.00 C ATOM 633 CG2 VAL A 41 -9.791 -14.678 0.644 1.00 0.00 C ATOM 0 H VAL A 41 -6.360 -15.346 2.525 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.156 -13.236 2.225 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.644 -14.923 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.731 -17.149 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.521 -16.962 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.256 -16.875 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.983 -15.293 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.609 -14.795 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.717 -13.632 0.346 1.00 0.00 H new ATOM 643 N GLY A 42 -9.971 -13.222 3.790 1.00 0.00 N ATOM 644 CA GLY A 42 -11.073 -13.103 4.735 1.00 0.00 C ATOM 645 C GLY A 42 -10.640 -12.634 6.128 1.00 0.00 C ATOM 646 O GLY A 42 -11.508 -12.264 6.924 1.00 0.00 O ATOM 0 H GLY A 42 -9.824 -12.382 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.807 -12.403 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.570 -14.069 4.824 1.00 0.00 H new ATOM 650 N LYS A 43 -9.338 -12.627 6.450 1.00 0.00 N ATOM 651 CA LYS A 43 -8.869 -12.140 7.747 1.00 0.00 C ATOM 652 C LYS A 43 -9.033 -10.619 7.803 1.00 0.00 C ATOM 653 O LYS A 43 -8.889 -9.943 6.780 1.00 0.00 O ATOM 654 CB LYS A 43 -7.417 -12.592 7.985 1.00 0.00 C ATOM 655 CG LYS A 43 -7.000 -12.406 9.454 1.00 0.00 C ATOM 656 CD LYS A 43 -5.680 -13.118 9.773 1.00 0.00 C ATOM 657 CE LYS A 43 -5.315 -12.894 11.249 1.00 0.00 C ATOM 658 NZ LYS A 43 -4.097 -13.641 11.655 1.00 0.00 N ATOM 0 H LYS A 43 -8.597 -12.953 5.830 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.467 -12.565 8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.311 -13.640 7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.748 -12.022 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.899 -11.342 9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.785 -12.790 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.772 -14.185 9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.886 -12.738 9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.159 -11.829 11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.151 -13.201 11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.894 -13.456 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.252 -14.660 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.291 -13.331 11.076 1.00 0.00 H new ATOM 672 N GLY A 44 -9.333 -10.086 8.989 1.00 0.00 N ATOM 673 CA GLY A 44 -9.415 -8.648 9.208 1.00 0.00 C ATOM 674 C GLY A 44 -8.028 -8.003 9.225 1.00 0.00 C ATOM 675 O GLY A 44 -7.009 -8.683 9.072 1.00 0.00 O ATOM 0 H GLY A 44 -9.525 -10.642 9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.019 -8.193 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.920 -8.451 10.153 1.00 0.00 H new ATOM 679 N ALA A 45 -7.987 -6.683 9.425 1.00 0.00 N ATOM 680 CA ALA A 45 -6.721 -5.990 9.642 1.00 0.00 C ATOM 681 C ALA A 45 -6.126 -6.405 10.997 1.00 0.00 C ATOM 682 O ALA A 45 -6.851 -6.793 11.917 1.00 0.00 O ATOM 683 CB ALA A 45 -6.915 -4.474 9.565 1.00 0.00 C ATOM 0 H ALA A 45 -8.810 -6.080 9.441 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.022 -6.273 8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.959 -3.976 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.299 -4.206 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.625 -4.159 10.330 1.00 0.00 H new ATOM 689 N ASP A 46 -4.803 -6.310 11.116 1.00 0.00 N ATOM 690 CA ASP A 46 -4.087 -6.700 12.327 1.00 0.00 C ATOM 691 C ASP A 46 -4.384 -5.706 13.463 1.00 0.00 C ATOM 692 O ASP A 46 -4.268 -4.497 13.236 1.00 0.00 O ATOM 693 CB ASP A 46 -2.578 -6.755 12.065 1.00 0.00 C ATOM 694 CG ASP A 46 -1.860 -7.308 13.303 1.00 0.00 C ATOM 695 OD1 ASP A 46 -1.522 -6.507 14.200 1.00 0.00 O ATOM 696 OD2 ASP A 46 -1.669 -8.541 13.390 1.00 0.00 O ATOM 0 H ASP A 46 -4.197 -5.960 10.374 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.428 -7.692 12.623 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.372 -7.386 11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.203 -5.759 11.829 1.00 0.00 H new ATOM 701 N PRO A 47 -4.740 -6.159 14.681 1.00 0.00 N ATOM 702 CA PRO A 47 -5.009 -5.282 15.818 1.00 0.00 C ATOM 703 C PRO A 47 -3.917 -4.249 16.116 1.00 0.00 C ATOM 704 O PRO A 47 -4.227 -3.175 16.632 1.00 0.00 O ATOM 705 CB PRO A 47 -5.214 -6.210 17.018 1.00 0.00 C ATOM 706 CG PRO A 47 -5.745 -7.491 16.382 1.00 0.00 C ATOM 707 CD PRO A 47 -5.005 -7.543 15.048 1.00 0.00 C ATOM 0 HA PRO A 47 -5.883 -4.672 15.589 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.282 -6.384 17.556 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.922 -5.792 17.734 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.531 -8.366 16.997 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.826 -7.455 16.243 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.077 -8.107 15.139 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.607 -8.040 14.287 1.00 0.00 H new ATOM 715 N THR A 48 -2.653 -4.532 15.807 1.00 0.00 N ATOM 716 CA THR A 48 -1.553 -3.625 16.103 1.00 0.00 C ATOM 717 C THR A 48 -1.562 -2.485 15.085 1.00 0.00 C ATOM 718 O THR A 48 -1.402 -1.326 15.469 1.00 0.00 O ATOM 719 CB THR A 48 -0.207 -4.381 16.081 1.00 0.00 C ATOM 720 OG1 THR A 48 -0.357 -5.748 16.412 1.00 0.00 O ATOM 721 CG2 THR A 48 0.801 -3.741 17.042 1.00 0.00 C ATOM 0 H THR A 48 -2.366 -5.395 15.346 1.00 0.00 H new ATOM 0 HA THR A 48 -1.678 -3.210 17.103 1.00 0.00 H new ATOM 0 HB THR A 48 0.167 -4.312 15.059 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.473 -6.272 15.592 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.740 -4.294 17.006 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.978 -2.706 16.748 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.403 -3.767 18.057 1.00 0.00 H new ATOM 729 N ALA A 49 -1.830 -2.789 13.808 1.00 0.00 N ATOM 730 CA ALA A 49 -1.994 -1.773 12.781 1.00 0.00 C ATOM 731 C ALA A 49 -3.186 -0.877 13.121 1.00 0.00 C ATOM 732 O ALA A 49 -3.074 0.346 13.041 1.00 0.00 O ATOM 733 CB ALA A 49 -2.183 -2.455 11.422 1.00 0.00 C ATOM 0 H ALA A 49 -1.937 -3.744 13.467 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.105 -1.145 12.734 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.306 -1.697 10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.308 -3.065 11.196 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.069 -3.089 11.453 1.00 0.00 H new ATOM 739 N ILE A 50 -4.302 -1.472 13.558 1.00 0.00 N ATOM 740 CA ILE A 50 -5.474 -0.727 14.010 1.00 0.00 C ATOM 741 C ILE A 50 -5.080 0.177 15.184 1.00 0.00 C ATOM 742 O ILE A 50 -5.385 1.365 15.155 1.00 0.00 O ATOM 743 CB ILE A 50 -6.632 -1.693 14.365 1.00 0.00 C ATOM 744 CG1 ILE A 50 -7.100 -2.499 13.126 1.00 0.00 C ATOM 745 CG2 ILE A 50 -7.831 -0.938 14.971 1.00 0.00 C ATOM 746 CD1 ILE A 50 -8.062 -3.650 13.448 1.00 0.00 C ATOM 0 H ILE A 50 -4.414 -2.485 13.607 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.840 -0.089 13.206 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.243 -2.388 15.109 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.587 -1.819 12.427 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.224 -2.904 12.619 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.625 -1.646 15.208 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.517 -0.427 15.881 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.201 -0.206 14.253 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.340 -4.161 12.526 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.574 -4.355 14.121 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.957 -3.253 13.926 1.00 0.00 H new ATOM 758 N SER A 51 -4.383 -0.347 16.195 1.00 0.00 N ATOM 759 CA SER A 51 -4.048 0.416 17.395 1.00 0.00 C ATOM 760 C SER A 51 -3.094 1.578 17.082 1.00 0.00 C ATOM 761 O SER A 51 -3.220 2.653 17.669 1.00 0.00 O ATOM 762 CB SER A 51 -3.452 -0.521 18.452 1.00 0.00 C ATOM 763 OG SER A 51 -4.351 -1.568 18.773 1.00 0.00 O ATOM 0 H SER A 51 -4.038 -1.307 16.203 1.00 0.00 H new ATOM 0 HA SER A 51 -4.963 0.858 17.789 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.516 -0.942 18.083 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.214 0.046 19.352 1.00 0.00 H new ATOM 0 HG SER A 51 -4.225 -2.311 18.146 1.00 0.00 H new ATOM 769 N VAL A 52 -2.143 1.390 16.166 1.00 0.00 N ATOM 770 CA VAL A 52 -1.263 2.468 15.728 1.00 0.00 C ATOM 771 C VAL A 52 -2.063 3.496 14.923 1.00 0.00 C ATOM 772 O VAL A 52 -1.894 4.693 15.145 1.00 0.00 O ATOM 773 CB VAL A 52 -0.057 1.874 14.971 1.00 0.00 C ATOM 774 CG1 VAL A 52 0.774 2.919 14.217 1.00 0.00 C ATOM 775 CG2 VAL A 52 0.866 1.175 15.984 1.00 0.00 C ATOM 0 H VAL A 52 -1.964 0.494 15.712 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.853 3.008 16.582 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.463 1.185 14.231 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.604 2.427 13.710 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.146 3.422 13.482 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.164 3.652 14.923 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.723 0.750 15.462 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.212 1.900 16.721 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.317 0.379 16.488 1.00 0.00 H new ATOM 785 N ALA A 53 -2.973 3.078 14.040 1.00 0.00 N ATOM 786 CA ALA A 53 -3.772 4.021 13.266 1.00 0.00 C ATOM 787 C ALA A 53 -4.743 4.798 14.166 1.00 0.00 C ATOM 788 O ALA A 53 -4.985 5.982 13.931 1.00 0.00 O ATOM 789 CB ALA A 53 -4.518 3.267 12.172 1.00 0.00 C ATOM 0 H ALA A 53 -3.172 2.097 13.846 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.110 4.754 12.806 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.117 3.968 11.591 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.801 2.772 11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.171 2.521 12.625 1.00 0.00 H new ATOM 795 N ALA A 54 -5.259 4.163 15.222 1.00 0.00 N ATOM 796 CA ALA A 54 -6.109 4.816 16.208 1.00 0.00 C ATOM 797 C ALA A 54 -5.342 5.882 16.997 1.00 0.00 C ATOM 798 O ALA A 54 -5.939 6.887 17.380 1.00 0.00 O ATOM 799 CB ALA A 54 -6.700 3.769 17.158 1.00 0.00 C ATOM 0 H ALA A 54 -5.095 3.175 15.414 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.917 5.320 15.678 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.335 4.263 17.894 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.293 3.054 16.588 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.893 3.245 17.669 1.00 0.00 H new ATOM 805 N GLU A 55 -4.026 5.725 17.187 1.00 0.00 N ATOM 806 CA GLU A 55 -3.180 6.775 17.770 1.00 0.00 C ATOM 807 C GLU A 55 -3.174 8.050 16.903 1.00 0.00 C ATOM 808 O GLU A 55 -2.947 9.146 17.418 1.00 0.00 O ATOM 809 CB GLU A 55 -1.756 6.234 17.985 1.00 0.00 C ATOM 810 CG GLU A 55 -0.960 7.049 19.016 1.00 0.00 C ATOM 811 CD GLU A 55 0.454 6.483 19.228 1.00 0.00 C ATOM 812 OE1 GLU A 55 0.578 5.292 19.591 1.00 0.00 O ATOM 813 OE2 GLU A 55 1.446 7.230 19.059 1.00 0.00 O ATOM 0 H GLU A 55 -3.520 4.873 16.943 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.597 7.058 18.737 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.812 5.196 18.314 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.223 6.239 17.034 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.890 8.085 18.684 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.495 7.054 19.966 1.00 0.00 H new ATOM 820 N HIS A 56 -3.512 7.923 15.615 1.00 0.00 N ATOM 821 CA HIS A 56 -3.668 9.020 14.659 1.00 0.00 C ATOM 822 C HIS A 56 -5.145 9.201 14.257 1.00 0.00 C ATOM 823 O HIS A 56 -5.435 9.891 13.276 1.00 0.00 O ATOM 824 CB HIS A 56 -2.756 8.754 13.451 1.00 0.00 C ATOM 825 CG HIS A 56 -1.299 8.616 13.825 1.00 0.00 C ATOM 826 ND1 HIS A 56 -0.455 9.631 14.222 1.00 0.00 N ATOM 827 CD2 HIS A 56 -0.577 7.452 13.879 1.00 0.00 C ATOM 828 CE1 HIS A 56 0.742 9.091 14.505 1.00 0.00 C ATOM 829 NE2 HIS A 56 0.720 7.759 14.313 1.00 0.00 N ATOM 0 H HIS A 56 -3.692 7.012 15.194 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.366 9.961 15.119 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.084 7.843 12.950 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.865 9.569 12.735 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.944 6.467 13.630 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.604 9.649 14.841 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.490 7.106 14.455 1.00 0.00 H new ATOM 837 N GLN A 57 -6.065 8.593 15.024 1.00 0.00 N ATOM 838 CA GLN A 57 -7.512 8.629 14.800 1.00 0.00 C ATOM 839 C GLN A 57 -7.868 8.445 13.325 1.00 0.00 C ATOM 840 O GLN A 57 -8.567 9.270 12.732 1.00 0.00 O ATOM 841 CB GLN A 57 -8.146 9.884 15.442 1.00 0.00 C ATOM 842 CG GLN A 57 -7.955 10.000 16.965 1.00 0.00 C ATOM 843 CD GLN A 57 -6.563 10.495 17.367 1.00 0.00 C ATOM 844 OE1 GLN A 57 -6.192 11.642 17.121 1.00 0.00 O ATOM 845 NE2 GLN A 57 -5.755 9.649 17.981 1.00 0.00 N ATOM 0 H GLN A 57 -5.808 8.045 15.845 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.955 7.773 15.309 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.722 10.770 14.969 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.214 9.886 15.223 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.705 10.681 17.367 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.132 9.026 17.421 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.068 8.699 18.182 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.818 9.946 18.254 1.00 0.00 H new ATOM 854 N LEU A 58 -7.358 7.368 12.724 1.00 0.00 N ATOM 855 CA LEU A 58 -7.699 6.984 11.360 1.00 0.00 C ATOM 856 C LEU A 58 -8.269 5.571 11.439 1.00 0.00 C ATOM 857 O LEU A 58 -7.605 4.670 11.956 1.00 0.00 O ATOM 858 CB LEU A 58 -6.447 7.052 10.466 1.00 0.00 C ATOM 859 CG LEU A 58 -6.751 7.331 8.981 1.00 0.00 C ATOM 860 CD1 LEU A 58 -5.470 7.138 8.164 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.891 6.492 8.391 1.00 0.00 C ATOM 0 H LEU A 58 -6.695 6.738 13.175 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.432 7.658 10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.786 7.832 10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.906 6.109 10.544 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.101 8.362 8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.677 7.334 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.705 7.829 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.115 6.114 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.033 6.757 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.641 5.434 8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.810 6.688 8.942 1.00 0.00 H new ATOM 873 N SER A 59 -9.502 5.381 10.969 1.00 0.00 N ATOM 874 CA SER A 59 -10.159 4.087 10.994 1.00 0.00 C ATOM 875 C SER A 59 -9.461 3.146 10.001 1.00 0.00 C ATOM 876 O SER A 59 -9.492 3.359 8.783 1.00 0.00 O ATOM 877 CB SER A 59 -11.647 4.251 10.654 1.00 0.00 C ATOM 878 OG SER A 59 -12.234 5.271 11.450 1.00 0.00 O ATOM 0 H SER A 59 -10.069 6.125 10.561 1.00 0.00 H new ATOM 0 HA SER A 59 -10.089 3.653 11.991 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.759 4.497 9.598 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.169 3.308 10.819 1.00 0.00 H new ATOM 0 HG SER A 59 -13.182 5.362 11.218 1.00 0.00 H new ATOM 884 N LEU A 60 -8.819 2.109 10.531 1.00 0.00 N ATOM 885 CA LEU A 60 -8.023 1.150 9.762 1.00 0.00 C ATOM 886 C LEU A 60 -8.838 -0.134 9.589 1.00 0.00 C ATOM 887 O LEU A 60 -8.756 -0.804 8.559 1.00 0.00 O ATOM 888 CB LEU A 60 -6.728 0.929 10.561 1.00 0.00 C ATOM 889 CG LEU A 60 -5.500 0.292 9.885 1.00 0.00 C ATOM 890 CD1 LEU A 60 -5.629 -1.210 9.631 1.00 0.00 C ATOM 891 CD2 LEU A 60 -5.106 1.016 8.599 1.00 0.00 C ATOM 0 H LEU A 60 -8.836 1.905 11.530 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.772 1.502 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.417 1.900 10.947 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.981 0.310 11.421 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.700 0.414 10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.721 -1.577 9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.775 -1.728 10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.483 -1.397 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.235 0.529 8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.936 0.981 7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.866 2.055 8.825 1.00 0.00 H new ATOM 903 N GLU A 61 -9.666 -0.423 10.594 1.00 0.00 N ATOM 904 CA GLU A 61 -10.684 -1.461 10.555 1.00 0.00 C ATOM 905 C GLU A 61 -11.674 -1.237 9.394 1.00 0.00 C ATOM 906 O GLU A 61 -11.674 -0.185 8.743 1.00 0.00 O ATOM 907 CB GLU A 61 -11.391 -1.540 11.925 1.00 0.00 C ATOM 908 CG GLU A 61 -12.070 -0.239 12.402 1.00 0.00 C ATOM 909 CD GLU A 61 -11.175 0.619 13.320 1.00 0.00 C ATOM 910 OE1 GLU A 61 -10.148 1.155 12.844 1.00 0.00 O ATOM 911 OE2 GLU A 61 -11.516 0.777 14.516 1.00 0.00 O ATOM 0 H GLU A 61 -9.642 0.077 11.483 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.208 -2.422 10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.145 -2.326 11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.659 -1.842 12.674 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.358 0.352 11.532 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.987 -0.491 12.934 1.00 0.00 H new ATOM 918 N GLY A 62 -12.536 -2.224 9.131 1.00 0.00 N ATOM 919 CA GLY A 62 -13.366 -2.225 7.932 1.00 0.00 C ATOM 920 C GLY A 62 -12.488 -2.628 6.751 1.00 0.00 C ATOM 921 O GLY A 62 -12.294 -1.848 5.816 1.00 0.00 O ATOM 0 H GLY A 62 -12.674 -3.033 9.737 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.197 -2.922 8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.798 -1.238 7.767 1.00 0.00 H new ATOM 925 N HIS A 63 -11.859 -3.800 6.858 1.00 0.00 N ATOM 926 CA HIS A 63 -10.873 -4.315 5.921 1.00 0.00 C ATOM 927 C HIS A 63 -10.976 -5.840 5.907 1.00 0.00 C ATOM 928 O HIS A 63 -11.156 -6.448 6.966 1.00 0.00 O ATOM 929 CB HIS A 63 -9.480 -3.881 6.401 1.00 0.00 C ATOM 930 CG HIS A 63 -8.341 -4.508 5.636 1.00 0.00 C ATOM 931 ND1 HIS A 63 -7.748 -4.005 4.503 1.00 0.00 N ATOM 932 CD2 HIS A 63 -7.687 -5.671 5.954 1.00 0.00 C ATOM 933 CE1 HIS A 63 -6.737 -4.824 4.178 1.00 0.00 C ATOM 934 NE2 HIS A 63 -6.665 -5.867 5.020 1.00 0.00 N ATOM 0 H HIS A 63 -12.034 -4.439 7.634 1.00 0.00 H new ATOM 0 HA HIS A 63 -11.045 -3.932 4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.402 -2.797 6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.377 -4.133 7.456 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.921 -6.323 6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.067 -4.665 3.346 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.002 -6.642 4.986 1.00 0.00 H new ATOM 942 N CYS A 64 -10.791 -6.446 4.732 1.00 0.00 N ATOM 943 CA CYS A 64 -10.645 -7.889 4.587 1.00 0.00 C ATOM 944 C CYS A 64 -9.454 -8.136 3.662 1.00 0.00 C ATOM 945 O CYS A 64 -9.419 -7.606 2.546 1.00 0.00 O ATOM 946 CB CYS A 64 -11.918 -8.515 3.993 1.00 0.00 C ATOM 947 SG CYS A 64 -13.364 -8.237 5.061 1.00 0.00 S ATOM 0 H CYS A 64 -10.738 -5.940 3.848 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.483 -8.349 5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.107 -8.090 3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.767 -9.586 3.856 1.00 0.00 H new ATOM 0 HG CYS A 64 -14.414 -8.780 4.520 1.00 0.00 H new ATOM 953 N ALA A 65 -8.488 -8.928 4.121 1.00 0.00 N ATOM 954 CA ALA A 65 -7.369 -9.361 3.300 1.00 0.00 C ATOM 955 C ALA A 65 -7.840 -10.357 2.231 1.00 0.00 C ATOM 956 O ALA A 65 -8.889 -10.989 2.380 1.00 0.00 O ATOM 957 CB ALA A 65 -6.285 -9.953 4.205 1.00 0.00 C ATOM 0 H ALA A 65 -8.463 -9.286 5.076 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.943 -8.509 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.442 -10.280 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.949 -9.196 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.691 -10.805 4.750 1.00 0.00 H new ATOM 963 N ARG A 66 -7.064 -10.495 1.152 1.00 0.00 N ATOM 964 CA ARG A 66 -7.404 -11.320 -0.013 1.00 0.00 C ATOM 965 C ARG A 66 -6.142 -11.491 -0.851 1.00 0.00 C ATOM 966 O ARG A 66 -5.342 -10.557 -0.949 1.00 0.00 O ATOM 967 CB ARG A 66 -8.535 -10.667 -0.841 1.00 0.00 C ATOM 968 CG ARG A 66 -8.231 -9.221 -1.271 1.00 0.00 C ATOM 969 CD ARG A 66 -9.456 -8.523 -1.866 1.00 0.00 C ATOM 970 NE ARG A 66 -9.194 -7.080 -1.927 1.00 0.00 N ATOM 971 CZ ARG A 66 -10.083 -6.091 -1.815 1.00 0.00 C ATOM 972 NH1 ARG A 66 -11.393 -6.309 -1.876 1.00 0.00 N ATOM 973 NH2 ARG A 66 -9.603 -4.874 -1.623 1.00 0.00 N ATOM 0 H ARG A 66 -6.162 -10.027 1.061 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.770 -12.294 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.717 -11.270 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.454 -10.677 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.876 -8.655 -0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.425 -9.224 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.665 -8.911 -2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.337 -8.721 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.223 -6.802 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.747 -7.256 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.044 -5.529 -1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.595 -4.726 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.240 -4.083 -1.531 1.00 0.00 H new ATOM 987 N GLN A 67 -5.944 -12.667 -1.449 1.00 0.00 N ATOM 988 CA GLN A 67 -4.800 -12.858 -2.324 1.00 0.00 C ATOM 989 C GLN A 67 -4.994 -12.057 -3.600 1.00 0.00 C ATOM 990 O GLN A 67 -6.087 -12.001 -4.167 1.00 0.00 O ATOM 991 CB GLN A 67 -4.512 -14.335 -2.622 1.00 0.00 C ATOM 992 CG GLN A 67 -3.785 -15.017 -1.452 1.00 0.00 C ATOM 993 CD GLN A 67 -3.102 -16.301 -1.920 1.00 0.00 C ATOM 994 OE1 GLN A 67 -3.696 -17.376 -1.930 1.00 0.00 O ATOM 995 NE2 GLN A 67 -1.850 -16.217 -2.346 1.00 0.00 N ATOM 0 H GLN A 67 -6.549 -13.481 -1.344 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.918 -12.489 -1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.448 -14.856 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.905 -14.413 -3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.044 -14.337 -1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.496 -15.245 -0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.366 -15.319 -2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.370 -17.050 -2.687 1.00 0.00 H new ATOM 1004 N ILE A 68 -3.889 -11.456 -4.031 1.00 0.00 N ATOM 1005 CA ILE A 68 -3.792 -10.825 -5.329 1.00 0.00 C ATOM 1006 C ILE A 68 -4.039 -11.888 -6.405 1.00 0.00 C ATOM 1007 O ILE A 68 -3.710 -13.066 -6.239 1.00 0.00 O ATOM 1008 CB ILE A 68 -2.416 -10.129 -5.441 1.00 0.00 C ATOM 1009 CG1 ILE A 68 -2.267 -9.230 -6.685 1.00 0.00 C ATOM 1010 CG2 ILE A 68 -1.234 -11.113 -5.425 1.00 0.00 C ATOM 1011 CD1 ILE A 68 -3.251 -8.066 -6.767 1.00 0.00 C ATOM 0 H ILE A 68 -3.033 -11.397 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.546 -10.051 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.385 -9.504 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.253 -8.830 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.384 -9.847 -7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.299 -10.559 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.242 -11.676 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.323 -11.802 -6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.064 -7.495 -7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.270 -8.452 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.122 -7.419 -5.900 1.00 0.00 H new ATOM 1023 N SER A 69 -4.596 -11.444 -7.520 1.00 0.00 N ATOM 1024 CA SER A 69 -4.784 -12.253 -8.710 1.00 0.00 C ATOM 1025 C SER A 69 -4.490 -11.355 -9.914 1.00 0.00 C ATOM 1026 O SER A 69 -4.486 -10.126 -9.775 1.00 0.00 O ATOM 1027 CB SER A 69 -6.217 -12.804 -8.687 1.00 0.00 C ATOM 1028 OG SER A 69 -7.172 -11.754 -8.739 1.00 0.00 O ATOM 0 H SER A 69 -4.937 -10.488 -7.624 1.00 0.00 H new ATOM 0 HA SER A 69 -4.115 -13.112 -8.763 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.365 -13.476 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.369 -13.393 -7.782 1.00 0.00 H new ATOM 0 HG SER A 69 -8.076 -12.133 -8.725 1.00 0.00 H new ATOM 1034 N ARG A 70 -4.273 -11.921 -11.108 1.00 0.00 N ATOM 1035 CA ARG A 70 -4.147 -11.099 -12.320 1.00 0.00 C ATOM 1036 C ARG A 70 -5.432 -10.300 -12.547 1.00 0.00 C ATOM 1037 O ARG A 70 -5.356 -9.128 -12.918 1.00 0.00 O ATOM 1038 CB ARG A 70 -3.774 -11.978 -13.529 1.00 0.00 C ATOM 1039 CG ARG A 70 -3.590 -11.154 -14.815 1.00 0.00 C ATOM 1040 CD ARG A 70 -3.073 -12.022 -15.966 1.00 0.00 C ATOM 1041 NE ARG A 70 -3.011 -11.264 -17.226 1.00 0.00 N ATOM 1042 CZ ARG A 70 -2.523 -11.709 -18.387 1.00 0.00 C ATOM 1043 NH1 ARG A 70 -1.934 -12.898 -18.483 1.00 0.00 N ATOM 1044 NH2 ARG A 70 -2.645 -10.927 -19.450 1.00 0.00 N ATOM 0 H ARG A 70 -4.182 -12.925 -11.261 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.338 -10.380 -12.192 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.853 -12.519 -13.312 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.552 -12.725 -13.687 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.540 -10.701 -15.098 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.891 -10.339 -14.630 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.082 -12.402 -15.720 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.724 -12.887 -16.092 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.374 -10.311 -17.211 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.847 -13.492 -17.658 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.569 -13.215 -19.381 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.100 -10.018 -19.365 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.284 -11.234 -20.353 1.00 0.00 H new ATOM 1058 N ARG A 71 -6.598 -10.904 -12.280 1.00 0.00 N ATOM 1059 CA ARG A 71 -7.885 -10.217 -12.384 1.00 0.00 C ATOM 1060 C ARG A 71 -7.920 -9.006 -11.459 1.00 0.00 C ATOM 1061 O ARG A 71 -8.268 -7.919 -11.915 1.00 0.00 O ATOM 1062 CB ARG A 71 -9.048 -11.176 -12.071 1.00 0.00 C ATOM 1063 CG ARG A 71 -9.201 -12.281 -13.129 1.00 0.00 C ATOM 1064 CD ARG A 71 -10.395 -13.184 -12.800 1.00 0.00 C ATOM 1065 NE ARG A 71 -10.563 -14.250 -13.806 1.00 0.00 N ATOM 1066 CZ ARG A 71 -11.509 -15.198 -13.787 1.00 0.00 C ATOM 1067 NH1 ARG A 71 -12.409 -15.241 -12.806 1.00 0.00 N ATOM 1068 NH2 ARG A 71 -11.552 -16.105 -14.758 1.00 0.00 N ATOM 0 H ARG A 71 -6.672 -11.878 -11.987 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.003 -9.870 -13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.886 -11.632 -11.095 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.976 -10.608 -12.007 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.338 -11.833 -14.113 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.289 -12.877 -13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.254 -13.631 -11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.303 -12.583 -12.750 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.902 -14.266 -14.583 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.382 -14.547 -12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.125 -15.968 -12.802 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.867 -16.077 -15.513 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.270 -16.829 -14.748 1.00 0.00 H new ATOM 1082 N LEU A 72 -7.527 -9.157 -10.188 1.00 0.00 N ATOM 1083 CA LEU A 72 -7.470 -8.015 -9.280 1.00 0.00 C ATOM 1084 C LEU A 72 -6.457 -7.003 -9.783 1.00 0.00 C ATOM 1085 O LEU A 72 -6.783 -5.826 -9.804 1.00 0.00 O ATOM 1086 CB LEU A 72 -7.105 -8.423 -7.846 1.00 0.00 C ATOM 1087 CG LEU A 72 -8.328 -8.818 -7.002 1.00 0.00 C ATOM 1088 CD1 LEU A 72 -7.875 -9.606 -5.770 1.00 0.00 C ATOM 1089 CD2 LEU A 72 -9.131 -7.594 -6.543 1.00 0.00 C ATOM 0 H LEU A 72 -7.248 -10.047 -9.774 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.467 -7.576 -9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.408 -9.260 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.587 -7.596 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.973 -9.431 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.745 -9.883 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.350 -10.507 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.207 -8.989 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.985 -7.921 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.495 -6.948 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.484 -7.043 -7.415 1.00 0.00 H new ATOM 1101 N CYS A 73 -5.267 -7.427 -10.210 1.00 0.00 N ATOM 1102 CA CYS A 73 -4.227 -6.514 -10.662 1.00 0.00 C ATOM 1103 C CYS A 73 -4.790 -5.601 -11.759 1.00 0.00 C ATOM 1104 O CYS A 73 -4.820 -4.382 -11.597 1.00 0.00 O ATOM 1105 CB CYS A 73 -3.007 -7.328 -11.125 1.00 0.00 C ATOM 1106 SG CYS A 73 -1.531 -6.279 -11.232 1.00 0.00 S ATOM 0 H CYS A 73 -5.001 -8.411 -10.251 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.895 -5.868 -9.849 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.826 -8.147 -10.429 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.211 -7.775 -12.098 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.740 -5.322 -12.086 1.00 0.00 H new ATOM 1112 N ARG A 74 -5.323 -6.182 -12.842 1.00 0.00 N ATOM 1113 CA ARG A 74 -5.828 -5.400 -13.972 1.00 0.00 C ATOM 1114 C ARG A 74 -7.135 -4.656 -13.659 1.00 0.00 C ATOM 1115 O ARG A 74 -7.525 -3.789 -14.440 1.00 0.00 O ATOM 1116 CB ARG A 74 -5.914 -6.295 -15.223 1.00 0.00 C ATOM 1117 CG ARG A 74 -7.082 -7.298 -15.216 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.850 -8.491 -16.157 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.492 -8.088 -17.527 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.316 -7.641 -18.481 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -8.635 -7.624 -18.300 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -6.793 -7.205 -19.618 1.00 0.00 N ATOM 0 H ARG A 74 -5.414 -7.191 -12.957 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.116 -4.601 -14.179 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.005 -5.658 -16.103 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.979 -6.847 -15.323 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.233 -7.666 -14.201 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.998 -6.784 -15.508 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.056 -9.117 -15.750 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.753 -9.101 -16.189 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.505 -8.157 -17.776 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.034 -7.956 -17.422 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.247 -7.279 -19.040 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.782 -7.215 -19.751 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.402 -6.859 -20.360 1.00 0.00 H new ATOM 1136 N ASN A 75 -7.826 -4.974 -12.555 1.00 0.00 N ATOM 1137 CA ASN A 75 -9.043 -4.276 -12.139 1.00 0.00 C ATOM 1138 C ASN A 75 -8.769 -2.837 -11.678 1.00 0.00 C ATOM 1139 O ASN A 75 -9.677 -2.007 -11.742 1.00 0.00 O ATOM 1140 CB ASN A 75 -9.762 -5.050 -11.022 1.00 0.00 C ATOM 1141 CG ASN A 75 -11.059 -4.369 -10.598 1.00 0.00 C ATOM 1142 OD1 ASN A 75 -12.023 -4.315 -11.357 1.00 0.00 O ATOM 1143 ND2 ASN A 75 -11.123 -3.856 -9.379 1.00 0.00 N ATOM 0 H ASN A 75 -7.552 -5.727 -11.925 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.685 -4.225 -13.018 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.979 -6.062 -11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.101 -5.140 -10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.982 -3.408 -9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.314 -3.909 -8.760 1.00 0.00 H new ATOM 1150 N TYR A 76 -7.544 -2.525 -11.238 1.00 0.00 N ATOM 1151 CA TYR A 76 -7.169 -1.167 -10.825 1.00 0.00 C ATOM 1152 C TYR A 76 -6.193 -0.591 -11.860 1.00 0.00 C ATOM 1153 O TYR A 76 -5.717 -1.316 -12.736 1.00 0.00 O ATOM 1154 CB TYR A 76 -6.617 -1.165 -9.385 1.00 0.00 C ATOM 1155 CG TYR A 76 -7.563 -1.754 -8.346 1.00 0.00 C ATOM 1156 CD1 TYR A 76 -7.702 -3.145 -8.230 1.00 0.00 C ATOM 1157 CD2 TYR A 76 -8.310 -0.923 -7.496 1.00 0.00 C ATOM 1158 CE1 TYR A 76 -8.597 -3.716 -7.311 1.00 0.00 C ATOM 1159 CE2 TYR A 76 -9.228 -1.475 -6.585 1.00 0.00 C ATOM 1160 CZ TYR A 76 -9.376 -2.877 -6.484 1.00 0.00 C ATOM 1161 OH TYR A 76 -10.269 -3.412 -5.605 1.00 0.00 O ATOM 0 H TYR A 76 -6.787 -3.204 -11.158 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.044 -0.517 -10.799 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.682 -1.726 -9.367 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.379 -0.140 -9.102 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.108 -3.790 -8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.179 0.148 -7.542 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.689 -4.790 -7.237 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.822 -0.825 -5.960 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.952 -4.291 -5.311 1.00 0.00 H new ATOM 1171 N ASP A 77 -5.924 0.717 -11.812 1.00 0.00 N ATOM 1172 CA ASP A 77 -5.141 1.394 -12.853 1.00 0.00 C ATOM 1173 C ASP A 77 -3.652 1.457 -12.515 1.00 0.00 C ATOM 1174 O ASP A 77 -2.815 1.522 -13.418 1.00 0.00 O ATOM 1175 CB ASP A 77 -5.660 2.822 -13.059 1.00 0.00 C ATOM 1176 CG ASP A 77 -4.858 3.547 -14.154 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -4.918 3.118 -15.329 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -4.179 4.550 -13.850 1.00 0.00 O ATOM 0 H ASP A 77 -6.238 1.331 -11.061 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.258 0.808 -13.765 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.714 2.794 -13.334 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.589 3.377 -12.124 1.00 0.00 H new ATOM 1183 N LEU A 78 -3.310 1.429 -11.227 1.00 0.00 N ATOM 1184 CA LEU A 78 -1.970 1.689 -10.713 1.00 0.00 C ATOM 1185 C LEU A 78 -1.824 0.832 -9.459 1.00 0.00 C ATOM 1186 O LEU A 78 -2.782 0.727 -8.686 1.00 0.00 O ATOM 1187 CB LEU A 78 -1.878 3.196 -10.398 1.00 0.00 C ATOM 1188 CG LEU A 78 -0.481 3.836 -10.300 1.00 0.00 C ATOM 1189 CD1 LEU A 78 0.367 3.320 -9.136 1.00 0.00 C ATOM 1190 CD2 LEU A 78 0.284 3.727 -11.623 1.00 0.00 C ATOM 0 H LEU A 78 -3.983 1.217 -10.490 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.174 1.442 -11.415 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.436 3.731 -11.166 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.391 3.370 -9.452 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.668 4.889 -10.088 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.334 3.822 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.144 3.524 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.515 2.245 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.265 4.190 -11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.405 2.677 -11.888 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.273 4.237 -12.409 1.00 0.00 H new ATOM 1202 N ILE A 79 -0.663 0.210 -9.257 1.00 0.00 N ATOM 1203 CA ILE A 79 -0.456 -0.750 -8.182 1.00 0.00 C ATOM 1204 C ILE A 79 0.782 -0.285 -7.421 1.00 0.00 C ATOM 1205 O ILE A 79 1.802 0.031 -8.036 1.00 0.00 O ATOM 1206 CB ILE A 79 -0.266 -2.178 -8.754 1.00 0.00 C ATOM 1207 CG1 ILE A 79 -1.325 -2.600 -9.798 1.00 0.00 C ATOM 1208 CG2 ILE A 79 -0.192 -3.225 -7.628 1.00 0.00 C ATOM 1209 CD1 ILE A 79 -2.754 -2.737 -9.267 1.00 0.00 C ATOM 0 H ILE A 79 0.161 0.361 -9.838 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.319 -0.797 -7.518 1.00 0.00 H new ATOM 0 HB ILE A 79 0.685 -2.138 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.325 -1.869 -10.606 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.024 -3.554 -10.231 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.059 -4.216 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.651 -2.998 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.116 -3.203 -7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.417 -3.036 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.779 -3.492 -8.481 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.085 -1.781 -8.862 1.00 0.00 H new ATOM 1221 N LEU A 80 0.727 -0.285 -6.091 1.00 0.00 N ATOM 1222 CA LEU A 80 1.903 -0.053 -5.266 1.00 0.00 C ATOM 1223 C LEU A 80 2.203 -1.321 -4.482 1.00 0.00 C ATOM 1224 O LEU A 80 1.305 -2.108 -4.173 1.00 0.00 O ATOM 1225 CB LEU A 80 1.750 1.131 -4.296 1.00 0.00 C ATOM 1226 CG LEU A 80 1.590 2.557 -4.862 1.00 0.00 C ATOM 1227 CD1 LEU A 80 2.582 2.873 -5.985 1.00 0.00 C ATOM 1228 CD2 LEU A 80 0.157 2.845 -5.316 1.00 0.00 C ATOM 0 H LEU A 80 -0.130 -0.445 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 80 2.724 0.205 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.883 0.929 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.623 1.134 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 80 1.822 3.222 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.418 3.890 -6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.600 2.780 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.435 2.173 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.096 3.861 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.126 2.139 -6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.521 2.741 -4.469 1.00 0.00 H new ATOM 1240 N THR A 81 3.466 -1.486 -4.116 1.00 0.00 N ATOM 1241 CA THR A 81 3.906 -2.546 -3.232 1.00 0.00 C ATOM 1242 C THR A 81 5.075 -2.012 -2.401 1.00 0.00 C ATOM 1243 O THR A 81 5.578 -0.917 -2.669 1.00 0.00 O ATOM 1244 CB THR A 81 4.185 -3.808 -4.057 1.00 0.00 C ATOM 1245 OG1 THR A 81 4.420 -4.882 -3.183 1.00 0.00 O ATOM 1246 CG2 THR A 81 5.357 -3.657 -5.026 1.00 0.00 C ATOM 0 H THR A 81 4.221 -0.877 -4.431 1.00 0.00 H new ATOM 0 HA THR A 81 3.145 -2.851 -2.514 1.00 0.00 H new ATOM 0 HB THR A 81 3.305 -3.992 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.617 -5.048 -2.646 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.497 -4.588 -5.576 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.148 -2.849 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.264 -3.426 -4.467 1.00 0.00 H new ATOM 1254 N MET A 82 5.532 -2.755 -1.393 1.00 0.00 N ATOM 1255 CA MET A 82 6.458 -2.232 -0.392 1.00 0.00 C ATOM 1256 C MET A 82 7.898 -2.720 -0.561 1.00 0.00 C ATOM 1257 O MET A 82 8.790 -2.146 0.069 1.00 0.00 O ATOM 1258 CB MET A 82 5.887 -2.606 0.989 1.00 0.00 C ATOM 1259 CG MET A 82 4.802 -1.628 1.471 1.00 0.00 C ATOM 1260 SD MET A 82 3.391 -1.315 0.370 1.00 0.00 S ATOM 1261 CE MET A 82 2.611 0.053 1.250 1.00 0.00 C ATOM 0 H MET A 82 5.272 -3.731 -1.249 1.00 0.00 H new ATOM 0 HA MET A 82 6.533 -1.151 -0.510 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.469 -3.612 0.944 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.697 -2.630 1.718 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.411 -2.002 2.417 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.282 -0.672 1.680 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.741 0.397 0.690 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.297 -0.282 2.239 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.323 0.872 1.353 1.00 0.00 H new ATOM 1271 N GLU A 83 8.143 -3.730 -1.402 1.00 0.00 N ATOM 1272 CA GLU A 83 9.479 -4.274 -1.643 1.00 0.00 C ATOM 1273 C GLU A 83 9.599 -4.578 -3.138 1.00 0.00 C ATOM 1274 O GLU A 83 8.632 -5.003 -3.776 1.00 0.00 O ATOM 1275 CB GLU A 83 9.681 -5.568 -0.830 1.00 0.00 C ATOM 1276 CG GLU A 83 9.764 -5.339 0.688 1.00 0.00 C ATOM 1277 CD GLU A 83 9.731 -6.651 1.492 1.00 0.00 C ATOM 1278 OE1 GLU A 83 10.604 -7.526 1.292 1.00 0.00 O ATOM 1279 OE2 GLU A 83 8.849 -6.771 2.376 1.00 0.00 O ATOM 0 H GLU A 83 7.411 -4.196 -1.939 1.00 0.00 H new ATOM 0 HA GLU A 83 10.239 -3.555 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.858 -6.251 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.595 -6.058 -1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.682 -4.799 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.934 -4.705 1.001 1.00 0.00 H new ATOM 1286 N LYS A 84 10.794 -4.414 -3.710 1.00 0.00 N ATOM 1287 CA LYS A 84 11.014 -4.637 -5.140 1.00 0.00 C ATOM 1288 C LYS A 84 10.854 -6.109 -5.534 1.00 0.00 C ATOM 1289 O LYS A 84 10.514 -6.381 -6.684 1.00 0.00 O ATOM 1290 CB LYS A 84 12.370 -4.067 -5.593 1.00 0.00 C ATOM 1291 CG LYS A 84 12.436 -2.537 -5.435 1.00 0.00 C ATOM 1292 CD LYS A 84 13.675 -1.955 -6.132 1.00 0.00 C ATOM 1293 CE LYS A 84 13.629 -0.420 -6.104 1.00 0.00 C ATOM 1294 NZ LYS A 84 14.729 0.191 -6.889 1.00 0.00 N ATOM 0 H LYS A 84 11.629 -4.126 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 84 10.234 -4.091 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.169 -4.526 -5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.544 -4.331 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.536 -2.087 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.458 -2.280 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.579 -2.308 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.719 -2.306 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.672 -0.080 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.688 -0.076 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.686 1.226 -6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.643 -0.151 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.630 -0.074 -7.890 1.00 0.00 H new ATOM 1308 N ARG A 85 11.012 -7.065 -4.603 1.00 0.00 N ATOM 1309 CA ARG A 85 10.732 -8.482 -4.888 1.00 0.00 C ATOM 1310 C ARG A 85 9.282 -8.636 -5.351 1.00 0.00 C ATOM 1311 O ARG A 85 8.989 -9.405 -6.264 1.00 0.00 O ATOM 1312 CB ARG A 85 10.947 -9.401 -3.658 1.00 0.00 C ATOM 1313 CG ARG A 85 12.052 -9.035 -2.658 1.00 0.00 C ATOM 1314 CD ARG A 85 13.487 -9.061 -3.212 1.00 0.00 C ATOM 1315 NE ARG A 85 14.403 -8.415 -2.249 1.00 0.00 N ATOM 1316 CZ ARG A 85 14.447 -7.092 -2.038 1.00 0.00 C ATOM 1317 NH1 ARG A 85 13.995 -6.262 -2.969 1.00 0.00 N ATOM 1318 NH2 ARG A 85 14.902 -6.589 -0.898 1.00 0.00 N ATOM 0 H ARG A 85 11.331 -6.883 -3.651 1.00 0.00 H new ATOM 0 HA ARG A 85 11.434 -8.787 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.006 -9.448 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.152 -10.406 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.850 -8.037 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.995 -9.722 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.799 -10.090 -3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.527 -8.543 -4.170 1.00 0.00 H new ATOM 0 HE ARG A 85 15.037 -9.009 -1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.616 -6.631 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.026 -5.255 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.228 -7.213 -0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.926 -5.579 -0.760 1.00 0.00 H new ATOM 1332 N HIS A 86 8.374 -7.894 -4.715 1.00 0.00 N ATOM 1333 CA HIS A 86 6.953 -7.988 -4.990 1.00 0.00 C ATOM 1334 C HIS A 86 6.644 -7.351 -6.342 1.00 0.00 C ATOM 1335 O HIS A 86 5.798 -7.878 -7.058 1.00 0.00 O ATOM 1336 CB HIS A 86 6.158 -7.296 -3.882 1.00 0.00 C ATOM 1337 CG HIS A 86 6.393 -7.784 -2.470 1.00 0.00 C ATOM 1338 ND1 HIS A 86 6.861 -9.017 -2.064 1.00 0.00 N ATOM 1339 CD2 HIS A 86 6.148 -7.060 -1.333 1.00 0.00 C ATOM 1340 CE1 HIS A 86 6.900 -9.023 -0.720 1.00 0.00 C ATOM 1341 NE2 HIS A 86 6.463 -7.851 -0.223 1.00 0.00 N ATOM 0 H HIS A 86 8.611 -7.212 -3.995 1.00 0.00 H new ATOM 0 HA HIS A 86 6.664 -9.038 -5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.385 -6.230 -3.916 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.097 -7.404 -4.107 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.774 -6.047 -1.299 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.237 -9.856 -0.120 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.379 -7.593 0.760 1.00 0.00 H new ATOM 1349 N ILE A 87 7.344 -6.270 -6.725 1.00 0.00 N ATOM 1350 CA ILE A 87 7.220 -5.693 -8.065 1.00 0.00 C ATOM 1351 C ILE A 87 7.533 -6.791 -9.081 1.00 0.00 C ATOM 1352 O ILE A 87 6.752 -6.998 -10.007 1.00 0.00 O ATOM 1353 CB ILE A 87 8.138 -4.456 -8.268 1.00 0.00 C ATOM 1354 CG1 ILE A 87 7.877 -3.366 -7.205 1.00 0.00 C ATOM 1355 CG2 ILE A 87 7.956 -3.858 -9.677 1.00 0.00 C ATOM 1356 CD1 ILE A 87 8.809 -2.154 -7.300 1.00 0.00 C ATOM 0 H ILE A 87 8.003 -5.780 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 87 6.203 -5.327 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 87 9.165 -4.804 -8.157 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.846 -3.024 -7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.978 -3.810 -6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.610 -2.994 -9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.210 -4.608 -10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.919 -3.549 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.556 -1.439 -6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.842 -2.479 -7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.693 -1.681 -8.275 1.00 0.00 H new ATOM 1368 N GLU A 88 8.638 -7.519 -8.890 1.00 0.00 N ATOM 1369 CA GLU A 88 9.062 -8.537 -9.845 1.00 0.00 C ATOM 1370 C GLU A 88 8.006 -9.645 -9.946 1.00 0.00 C ATOM 1371 O GLU A 88 7.571 -9.989 -11.046 1.00 0.00 O ATOM 1372 CB GLU A 88 10.445 -9.077 -9.448 1.00 0.00 C ATOM 1373 CG GLU A 88 11.007 -10.042 -10.500 1.00 0.00 C ATOM 1374 CD GLU A 88 12.434 -10.496 -10.143 1.00 0.00 C ATOM 1375 OE1 GLU A 88 12.596 -11.501 -9.414 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.412 -9.864 -10.605 1.00 0.00 O ATOM 0 H GLU A 88 9.252 -7.419 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 88 9.155 -8.097 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.135 -8.244 -9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.373 -9.588 -8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.356 -10.913 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.012 -9.556 -11.476 1.00 0.00 H new ATOM 1383 N ARG A 89 7.537 -10.162 -8.804 1.00 0.00 N ATOM 1384 CA ARG A 89 6.522 -11.216 -8.788 1.00 0.00 C ATOM 1385 C ARG A 89 5.223 -10.740 -9.434 1.00 0.00 C ATOM 1386 O ARG A 89 4.609 -11.495 -10.183 1.00 0.00 O ATOM 1387 CB ARG A 89 6.278 -11.716 -7.354 1.00 0.00 C ATOM 1388 CG ARG A 89 7.485 -12.504 -6.816 1.00 0.00 C ATOM 1389 CD ARG A 89 7.284 -12.985 -5.372 1.00 0.00 C ATOM 1390 NE ARG A 89 6.208 -13.990 -5.254 1.00 0.00 N ATOM 1391 CZ ARG A 89 6.321 -15.307 -5.484 1.00 0.00 C ATOM 1392 NH1 ARG A 89 7.483 -15.836 -5.863 1.00 0.00 N ATOM 1393 NH2 ARG A 89 5.261 -16.095 -5.334 1.00 0.00 N ATOM 0 H ARG A 89 7.847 -9.865 -7.879 1.00 0.00 H new ATOM 0 HA ARG A 89 6.896 -12.053 -9.378 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.077 -10.867 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.391 -12.350 -7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.667 -13.365 -7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.374 -11.876 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.216 -13.411 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.049 -12.130 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 89 5.289 -13.650 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.301 -15.238 -5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.555 -16.839 -6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.367 -15.698 -5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.342 -17.097 -5.508 1.00 0.00 H new ATOM 1407 N LEU A 90 4.801 -9.499 -9.190 1.00 0.00 N ATOM 1408 CA LEU A 90 3.567 -8.974 -9.763 1.00 0.00 C ATOM 1409 C LEU A 90 3.708 -8.751 -11.267 1.00 0.00 C ATOM 1410 O LEU A 90 2.749 -8.997 -11.996 1.00 0.00 O ATOM 1411 CB LEU A 90 3.144 -7.682 -9.047 1.00 0.00 C ATOM 1412 CG LEU A 90 2.582 -7.936 -7.634 1.00 0.00 C ATOM 1413 CD1 LEU A 90 2.499 -6.627 -6.841 1.00 0.00 C ATOM 1414 CD2 LEU A 90 1.204 -8.598 -7.675 1.00 0.00 C ATOM 0 H LEU A 90 5.301 -8.838 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 90 2.782 -9.716 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.002 -7.014 -8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.390 -7.171 -9.646 1.00 0.00 H new ATOM 0 HG LEU A 90 3.271 -8.619 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.100 -6.829 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.495 -6.192 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.843 -5.928 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.847 -8.758 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.506 -7.952 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.276 -9.556 -8.189 1.00 0.00 H new ATOM 1426 N CYS A 91 4.885 -8.346 -11.756 1.00 0.00 N ATOM 1427 CA CYS A 91 5.135 -8.264 -13.191 1.00 0.00 C ATOM 1428 C CYS A 91 5.048 -9.656 -13.828 1.00 0.00 C ATOM 1429 O CYS A 91 4.518 -9.778 -14.928 1.00 0.00 O ATOM 1430 CB CYS A 91 6.497 -7.621 -13.473 1.00 0.00 C ATOM 1431 SG CYS A 91 6.505 -5.890 -12.917 1.00 0.00 S ATOM 0 H CYS A 91 5.677 -8.071 -11.175 1.00 0.00 H new ATOM 0 HA CYS A 91 4.367 -7.632 -13.637 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.282 -8.178 -12.962 1.00 0.00 H new ATOM 0 HB3 CYS A 91 6.715 -7.668 -14.540 1.00 0.00 H new ATOM 0 HG CYS A 91 6.602 -5.851 -11.621 1.00 0.00 H new ATOM 1437 N GLU A 92 5.523 -10.707 -13.153 1.00 0.00 N ATOM 1438 CA GLU A 92 5.386 -12.073 -13.647 1.00 0.00 C ATOM 1439 C GLU A 92 3.915 -12.523 -13.633 1.00 0.00 C ATOM 1440 O GLU A 92 3.480 -13.193 -14.571 1.00 0.00 O ATOM 1441 CB GLU A 92 6.269 -13.037 -12.835 1.00 0.00 C ATOM 1442 CG GLU A 92 7.773 -12.859 -13.095 1.00 0.00 C ATOM 1443 CD GLU A 92 8.180 -13.281 -14.519 1.00 0.00 C ATOM 1444 OE1 GLU A 92 8.350 -14.496 -14.773 1.00 0.00 O ATOM 1445 OE2 GLU A 92 8.358 -12.406 -15.396 1.00 0.00 O ATOM 0 H GLU A 92 6.008 -10.633 -12.259 1.00 0.00 H new ATOM 0 HA GLU A 92 5.727 -12.093 -14.682 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.072 -12.890 -11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.986 -14.063 -13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.044 -11.815 -12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.336 -13.448 -12.370 1.00 0.00 H new ATOM 1452 N MET A 93 3.140 -12.152 -12.604 1.00 0.00 N ATOM 1453 CA MET A 93 1.716 -12.495 -12.526 1.00 0.00 C ATOM 1454 C MET A 93 0.886 -11.762 -13.587 1.00 0.00 C ATOM 1455 O MET A 93 -0.077 -12.336 -14.097 1.00 0.00 O ATOM 1456 CB MET A 93 1.144 -12.183 -11.134 1.00 0.00 C ATOM 1457 CG MET A 93 1.625 -13.168 -10.062 1.00 0.00 C ATOM 1458 SD MET A 93 0.907 -12.908 -8.414 1.00 0.00 S ATOM 1459 CE MET A 93 -0.800 -13.452 -8.708 1.00 0.00 C ATOM 0 H MET A 93 3.480 -11.610 -11.810 1.00 0.00 H new ATOM 0 HA MET A 93 1.649 -13.567 -12.714 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.430 -11.171 -10.847 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.055 -12.205 -11.180 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.392 -14.181 -10.389 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.710 -13.099 -9.985 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.307 -13.592 -7.753 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.327 -12.697 -9.291 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.792 -14.394 -9.257 1.00 0.00 H new ATOM 1469 N ALA A 94 1.241 -10.517 -13.922 1.00 0.00 N ATOM 1470 CA ALA A 94 0.476 -9.686 -14.848 1.00 0.00 C ATOM 1471 C ALA A 94 1.433 -8.957 -15.805 1.00 0.00 C ATOM 1472 O ALA A 94 1.643 -7.750 -15.652 1.00 0.00 O ATOM 1473 CB ALA A 94 -0.416 -8.721 -14.047 1.00 0.00 C ATOM 0 H ALA A 94 2.074 -10.058 -13.554 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.180 -10.302 -15.463 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.989 -8.099 -14.735 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.100 -9.293 -13.420 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.208 -8.086 -13.418 1.00 0.00 H new ATOM 1479 N PRO A 95 2.031 -9.656 -16.793 1.00 0.00 N ATOM 1480 CA PRO A 95 2.976 -9.053 -17.734 1.00 0.00 C ATOM 1481 C PRO A 95 2.405 -7.842 -18.472 1.00 0.00 C ATOM 1482 O PRO A 95 3.144 -6.899 -18.757 1.00 0.00 O ATOM 1483 CB PRO A 95 3.368 -10.164 -18.712 1.00 0.00 C ATOM 1484 CG PRO A 95 3.103 -11.446 -17.928 1.00 0.00 C ATOM 1485 CD PRO A 95 1.898 -11.080 -17.066 1.00 0.00 C ATOM 0 HA PRO A 95 3.838 -8.663 -17.193 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.773 -10.122 -19.624 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.414 -10.085 -19.009 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.886 -12.285 -18.589 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.962 -11.732 -17.320 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.964 -11.294 -17.586 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.887 -11.657 -16.141 1.00 0.00 H new ATOM 1493 N GLU A 96 1.095 -7.832 -18.743 1.00 0.00 N ATOM 1494 CA GLU A 96 0.418 -6.711 -19.400 1.00 0.00 C ATOM 1495 C GLU A 96 0.488 -5.404 -18.592 1.00 0.00 C ATOM 1496 O GLU A 96 0.219 -4.331 -19.134 1.00 0.00 O ATOM 1497 CB GLU A 96 -1.047 -7.096 -19.686 1.00 0.00 C ATOM 1498 CG GLU A 96 -1.910 -7.223 -18.416 1.00 0.00 C ATOM 1499 CD GLU A 96 -3.354 -7.625 -18.736 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.069 -6.879 -19.440 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -3.799 -8.699 -18.270 1.00 0.00 O ATOM 0 H GLU A 96 0.472 -8.606 -18.511 1.00 0.00 H new ATOM 0 HA GLU A 96 0.943 -6.515 -20.335 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.489 -6.347 -20.342 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.067 -8.043 -20.225 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.467 -7.964 -17.750 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.909 -6.273 -17.881 1.00 0.00 H new ATOM 1508 N MET A 97 0.836 -5.487 -17.303 1.00 0.00 N ATOM 1509 CA MET A 97 0.768 -4.400 -16.338 1.00 0.00 C ATOM 1510 C MET A 97 2.140 -4.147 -15.694 1.00 0.00 C ATOM 1511 O MET A 97 2.257 -3.361 -14.750 1.00 0.00 O ATOM 1512 CB MET A 97 -0.344 -4.745 -15.330 1.00 0.00 C ATOM 1513 CG MET A 97 -0.772 -3.523 -14.523 1.00 0.00 C ATOM 1514 SD MET A 97 -2.338 -3.696 -13.648 1.00 0.00 S ATOM 1515 CE MET A 97 -2.566 -1.963 -13.170 1.00 0.00 C ATOM 0 H MET A 97 1.187 -6.353 -16.893 1.00 0.00 H new ATOM 0 HA MET A 97 0.513 -3.456 -16.819 1.00 0.00 H new ATOM 0 HB2 MET A 97 -1.205 -5.150 -15.862 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.007 -5.524 -14.653 1.00 0.00 H new ATOM 0 HG2 MET A 97 0.009 -3.294 -13.797 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.842 -2.668 -15.196 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.240 -1.907 -12.315 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.603 -1.530 -12.901 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.993 -1.408 -14.006 1.00 0.00 H new ATOM 1525 N ARG A 98 3.206 -4.774 -16.207 1.00 0.00 N ATOM 1526 CA ARG A 98 4.570 -4.466 -15.784 1.00 0.00 C ATOM 1527 C ARG A 98 4.818 -2.959 -15.930 1.00 0.00 C ATOM 1528 O ARG A 98 4.411 -2.358 -16.926 1.00 0.00 O ATOM 1529 CB ARG A 98 5.576 -5.343 -16.557 1.00 0.00 C ATOM 1530 CG ARG A 98 5.718 -4.991 -18.049 1.00 0.00 C ATOM 1531 CD ARG A 98 6.419 -6.124 -18.808 1.00 0.00 C ATOM 1532 NE ARG A 98 6.703 -5.757 -20.206 1.00 0.00 N ATOM 1533 CZ ARG A 98 5.845 -5.788 -21.236 1.00 0.00 C ATOM 1534 NH1 ARG A 98 4.574 -6.142 -21.065 1.00 0.00 N ATOM 1535 NH2 ARG A 98 6.272 -5.457 -22.451 1.00 0.00 N ATOM 0 H ARG A 98 3.145 -5.501 -16.920 1.00 0.00 H new ATOM 0 HA ARG A 98 4.712 -4.707 -14.731 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.553 -5.257 -16.082 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.271 -6.386 -16.471 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.733 -4.812 -18.481 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.287 -4.067 -18.158 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.351 -6.377 -18.303 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.793 -7.016 -18.787 1.00 0.00 H new ATOM 0 HE ARG A 98 7.652 -5.447 -20.412 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.236 -6.396 -20.137 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.938 -6.159 -21.862 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.244 -5.183 -22.593 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.627 -5.477 -23.241 1.00 0.00 H new ATOM 1549 N GLY A 99 5.441 -2.343 -14.925 1.00 0.00 N ATOM 1550 CA GLY A 99 5.720 -0.908 -14.901 1.00 0.00 C ATOM 1551 C GLY A 99 4.627 -0.090 -14.204 1.00 0.00 C ATOM 1552 O GLY A 99 4.947 0.928 -13.589 1.00 0.00 O ATOM 0 H GLY A 99 5.770 -2.834 -14.094 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.670 -0.738 -14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.835 -0.550 -15.924 1.00 0.00 H new ATOM 1556 N LYS A 100 3.356 -0.526 -14.222 1.00 0.00 N ATOM 1557 CA LYS A 100 2.308 0.095 -13.396 1.00 0.00 C ATOM 1558 C LYS A 100 2.448 -0.306 -11.925 1.00 0.00 C ATOM 1559 O LYS A 100 1.806 0.317 -11.080 1.00 0.00 O ATOM 1560 CB LYS A 100 0.906 -0.294 -13.893 1.00 0.00 C ATOM 1561 CG LYS A 100 0.447 0.378 -15.194 1.00 0.00 C ATOM 1562 CD LYS A 100 0.228 1.890 -15.011 1.00 0.00 C ATOM 1563 CE LYS A 100 -0.633 2.521 -16.116 1.00 0.00 C ATOM 1564 NZ LYS A 100 -2.043 2.060 -16.071 1.00 0.00 N ATOM 0 H LYS A 100 3.031 -1.303 -14.797 1.00 0.00 H new ATOM 0 HA LYS A 100 2.433 1.174 -13.484 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.879 -1.374 -14.035 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.185 -0.057 -13.110 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.192 0.210 -15.972 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.479 -0.085 -15.535 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.247 2.066 -14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.197 2.389 -14.986 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.606 3.606 -16.018 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.205 2.278 -17.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.664 2.804 -16.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.145 1.199 -16.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.309 1.853 -15.087 1.00 0.00 H new ATOM 1578 N VAL A 101 3.237 -1.339 -11.619 1.00 0.00 N ATOM 1579 CA VAL A 101 3.550 -1.719 -10.248 1.00 0.00 C ATOM 1580 C VAL A 101 4.783 -0.904 -9.834 1.00 0.00 C ATOM 1581 O VAL A 101 5.761 -0.875 -10.587 1.00 0.00 O ATOM 1582 CB VAL A 101 3.795 -3.242 -10.160 1.00 0.00 C ATOM 1583 CG1 VAL A 101 3.853 -3.676 -8.690 1.00 0.00 C ATOM 1584 CG2 VAL A 101 2.717 -4.082 -10.871 1.00 0.00 C ATOM 0 H VAL A 101 3.676 -1.935 -12.321 1.00 0.00 H new ATOM 0 HA VAL A 101 2.725 -1.505 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 101 4.742 -3.424 -10.668 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.026 -4.751 -8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.666 -3.151 -8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.909 -3.435 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.954 -5.141 -10.768 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.745 -3.882 -10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.688 -3.818 -11.928 1.00 0.00 H new ATOM 1594 N MET A 102 4.756 -0.247 -8.667 1.00 0.00 N ATOM 1595 CA MET A 102 5.848 0.621 -8.214 1.00 0.00 C ATOM 1596 C MET A 102 6.048 0.523 -6.700 1.00 0.00 C ATOM 1597 O MET A 102 5.150 0.103 -5.968 1.00 0.00 O ATOM 1598 CB MET A 102 5.559 2.081 -8.607 1.00 0.00 C ATOM 1599 CG MET A 102 5.667 2.296 -10.121 1.00 0.00 C ATOM 1600 SD MET A 102 5.481 4.016 -10.663 1.00 0.00 S ATOM 1601 CE MET A 102 3.700 4.215 -10.396 1.00 0.00 C ATOM 0 H MET A 102 3.976 -0.303 -8.012 1.00 0.00 H new ATOM 0 HA MET A 102 6.764 0.286 -8.700 1.00 0.00 H new ATOM 0 HB2 MET A 102 4.559 2.356 -8.271 1.00 0.00 H new ATOM 0 HB3 MET A 102 6.260 2.741 -8.095 1.00 0.00 H new ATOM 0 HG2 MET A 102 6.636 1.927 -10.457 1.00 0.00 H new ATOM 0 HG3 MET A 102 4.907 1.691 -10.614 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.335 5.056 -10.986 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.182 3.306 -10.701 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.509 4.404 -9.340 1.00 0.00 H new ATOM 1611 N LEU A 103 7.240 0.910 -6.234 1.00 0.00 N ATOM 1612 CA LEU A 103 7.590 0.883 -4.817 1.00 0.00 C ATOM 1613 C LEU A 103 6.895 2.035 -4.086 1.00 0.00 C ATOM 1614 O LEU A 103 6.973 3.181 -4.528 1.00 0.00 O ATOM 1615 CB LEU A 103 9.120 1.018 -4.682 1.00 0.00 C ATOM 1616 CG LEU A 103 9.646 0.711 -3.268 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.532 -0.783 -2.946 1.00 0.00 C ATOM 1618 CD2 LEU A 103 11.113 1.138 -3.163 1.00 0.00 C ATOM 0 H LEU A 103 7.990 1.252 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 103 7.263 -0.057 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.599 0.345 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.412 2.032 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 103 9.040 1.267 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.911 -0.969 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.487 -1.089 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.116 -1.356 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.485 0.920 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.705 0.590 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.195 2.208 -3.356 1.00 0.00 H new ATOM 1630 N PHE A 104 6.269 1.761 -2.940 1.00 0.00 N ATOM 1631 CA PHE A 104 5.574 2.784 -2.166 1.00 0.00 C ATOM 1632 C PHE A 104 6.538 3.867 -1.667 1.00 0.00 C ATOM 1633 O PHE A 104 6.223 5.053 -1.745 1.00 0.00 O ATOM 1634 CB PHE A 104 4.817 2.142 -0.991 1.00 0.00 C ATOM 1635 CG PHE A 104 3.637 2.983 -0.551 1.00 0.00 C ATOM 1636 CD1 PHE A 104 3.799 4.059 0.342 1.00 0.00 C ATOM 1637 CD2 PHE A 104 2.370 2.717 -1.094 1.00 0.00 C ATOM 1638 CE1 PHE A 104 2.701 4.882 0.657 1.00 0.00 C ATOM 1639 CE2 PHE A 104 1.287 3.558 -0.813 1.00 0.00 C ATOM 1640 CZ PHE A 104 1.449 4.644 0.061 1.00 0.00 C ATOM 0 H PHE A 104 6.231 0.829 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 104 4.853 3.269 -2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.468 1.151 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.499 2.006 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.765 4.253 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.230 1.858 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.820 5.696 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 104 0.326 3.371 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.615 5.295 0.276 1.00 0.00 H new ATOM 1650 N GLY A 105 7.733 3.472 -1.216 1.00 0.00 N ATOM 1651 CA GLY A 105 8.727 4.395 -0.670 1.00 0.00 C ATOM 1652 C GLY A 105 9.631 5.001 -1.743 1.00 0.00 C ATOM 1653 O GLY A 105 10.742 5.427 -1.428 1.00 0.00 O ATOM 0 H GLY A 105 8.037 2.498 -1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.216 5.197 -0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.341 3.868 0.060 1.00 0.00 H new ATOM 1657 N HIS A 106 9.198 5.008 -3.010 1.00 0.00 N ATOM 1658 CA HIS A 106 9.965 5.507 -4.149 1.00 0.00 C ATOM 1659 C HIS A 106 10.557 6.897 -3.887 1.00 0.00 C ATOM 1660 O HIS A 106 11.755 7.102 -4.087 1.00 0.00 O ATOM 1661 CB HIS A 106 9.060 5.498 -5.389 1.00 0.00 C ATOM 1662 CG HIS A 106 9.621 6.226 -6.584 1.00 0.00 C ATOM 1663 ND1 HIS A 106 10.644 5.800 -7.403 1.00 0.00 N ATOM 1664 CD2 HIS A 106 9.199 7.439 -7.059 1.00 0.00 C ATOM 1665 CE1 HIS A 106 10.837 6.740 -8.345 1.00 0.00 C ATOM 1666 NE2 HIS A 106 9.977 7.764 -8.179 1.00 0.00 N ATOM 0 H HIS A 106 8.278 4.656 -3.274 1.00 0.00 H new ATOM 0 HA HIS A 106 10.819 4.851 -4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.863 4.464 -5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 106 8.101 5.945 -5.126 1.00 0.00 H new ATOM 0 HD2 HIS A 106 8.405 8.041 -6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.579 6.682 -9.127 1.00 0.00 H new ATOM 0 HE2 HIS A 106 9.906 8.605 -8.752 1.00 0.00 H new ATOM 1674 N TRP A 107 9.740 7.840 -3.403 1.00 0.00 N ATOM 1675 CA TRP A 107 10.175 9.218 -3.191 1.00 0.00 C ATOM 1676 C TRP A 107 11.208 9.331 -2.069 1.00 0.00 C ATOM 1677 O TRP A 107 12.001 10.273 -2.053 1.00 0.00 O ATOM 1678 CB TRP A 107 8.962 10.081 -2.841 1.00 0.00 C ATOM 1679 CG TRP A 107 7.731 9.822 -3.650 1.00 0.00 C ATOM 1680 CD1 TRP A 107 6.656 9.131 -3.213 1.00 0.00 C ATOM 1681 CD2 TRP A 107 7.427 10.213 -5.024 1.00 0.00 C ATOM 1682 NE1 TRP A 107 5.721 9.059 -4.216 1.00 0.00 N ATOM 1683 CE2 TRP A 107 6.138 9.701 -5.358 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.107 10.936 -6.028 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 5.554 9.894 -6.617 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 7.527 11.145 -7.295 1.00 0.00 C ATOM 1687 CH2 TRP A 107 6.251 10.627 -7.590 1.00 0.00 C ATOM 0 H TRP A 107 8.767 7.668 -3.150 1.00 0.00 H new ATOM 0 HA TRP A 107 10.644 9.562 -4.113 1.00 0.00 H new ATOM 0 HB2 TRP A 107 8.722 9.930 -1.789 1.00 0.00 H new ATOM 0 HB3 TRP A 107 9.238 11.129 -2.958 1.00 0.00 H new ATOM 0 HD1 TRP A 107 6.548 8.702 -2.228 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.823 8.585 -4.125 1.00 0.00 H new ATOM 0 HE3 TRP A 107 9.089 11.336 -5.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 4.579 9.484 -6.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.065 11.706 -8.045 1.00 0.00 H new ATOM 0 HH2 TRP A 107 5.810 10.793 -8.562 1.00 0.00 H new ATOM 1698 N ASP A 108 11.209 8.378 -1.131 1.00 0.00 N ATOM 1699 CA ASP A 108 12.087 8.398 0.034 1.00 0.00 C ATOM 1700 C ASP A 108 13.394 7.689 -0.325 1.00 0.00 C ATOM 1701 O ASP A 108 13.781 6.703 0.296 1.00 0.00 O ATOM 1702 CB ASP A 108 11.370 7.803 1.255 1.00 0.00 C ATOM 1703 CG ASP A 108 12.110 8.180 2.547 1.00 0.00 C ATOM 1704 OD1 ASP A 108 12.154 9.394 2.858 1.00 0.00 O ATOM 1705 OD2 ASP A 108 12.586 7.292 3.286 1.00 0.00 O ATOM 0 H ASP A 108 10.593 7.566 -1.163 1.00 0.00 H new ATOM 0 HA ASP A 108 12.340 9.420 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.344 8.169 1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 108 11.318 6.718 1.161 1.00 0.00 H new ATOM 1710 N ASN A 109 14.037 8.169 -1.396 1.00 0.00 N ATOM 1711 CA ASN A 109 15.235 7.564 -1.983 1.00 0.00 C ATOM 1712 C ASN A 109 15.088 6.045 -2.202 1.00 0.00 C ATOM 1713 O ASN A 109 16.003 5.269 -1.920 1.00 0.00 O ATOM 1714 CB ASN A 109 16.482 7.968 -1.172 1.00 0.00 C ATOM 1715 CG ASN A 109 17.782 7.622 -1.897 1.00 0.00 C ATOM 1716 OD1 ASN A 109 18.610 6.859 -1.405 1.00 0.00 O ATOM 1717 ND2 ASN A 109 18.008 8.199 -3.067 1.00 0.00 N ATOM 0 H ASN A 109 13.731 9.008 -1.889 1.00 0.00 H new ATOM 0 HA ASN A 109 15.369 7.962 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 109 16.453 9.040 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 109 16.463 7.465 -0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 109 18.876 8.012 -3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 109 17.314 8.831 -3.467 1.00 0.00 H new ATOM 1724 N GLU A 110 13.919 5.632 -2.709 1.00 0.00 N ATOM 1725 CA GLU A 110 13.594 4.231 -3.004 1.00 0.00 C ATOM 1726 C GLU A 110 13.816 3.285 -1.815 1.00 0.00 C ATOM 1727 O GLU A 110 14.250 2.141 -1.974 1.00 0.00 O ATOM 1728 CB GLU A 110 14.283 3.768 -4.301 1.00 0.00 C ATOM 1729 CG GLU A 110 13.804 4.575 -5.512 1.00 0.00 C ATOM 1730 CD GLU A 110 14.495 4.113 -6.806 1.00 0.00 C ATOM 1731 OE1 GLU A 110 14.362 2.924 -7.175 1.00 0.00 O ATOM 1732 OE2 GLU A 110 15.169 4.935 -7.469 1.00 0.00 O ATOM 0 H GLU A 110 13.158 6.275 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 110 12.519 4.181 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.363 3.872 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.079 2.710 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 110 12.724 4.469 -5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.006 5.634 -5.348 1.00 0.00 H new ATOM 1739 N CYS A 111 13.517 3.768 -0.609 1.00 0.00 N ATOM 1740 CA CYS A 111 13.538 2.935 0.581 1.00 0.00 C ATOM 1741 C CYS A 111 12.389 1.924 0.513 1.00 0.00 C ATOM 1742 O CYS A 111 11.223 2.309 0.412 1.00 0.00 O ATOM 1743 CB CYS A 111 13.407 3.805 1.831 1.00 0.00 C ATOM 1744 SG CYS A 111 15.000 4.598 2.191 1.00 0.00 S ATOM 0 H CYS A 111 13.257 4.739 -0.436 1.00 0.00 H new ATOM 0 HA CYS A 111 14.485 2.397 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 111 12.638 4.563 1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 111 13.093 3.196 2.679 1.00 0.00 H new ATOM 0 HG CYS A 111 15.094 5.707 1.520 1.00 0.00 H new ATOM 1750 N GLU A 112 12.714 0.635 0.596 1.00 0.00 N ATOM 1751 CA GLU A 112 11.715 -0.412 0.763 1.00 0.00 C ATOM 1752 C GLU A 112 11.133 -0.257 2.173 1.00 0.00 C ATOM 1753 O GLU A 112 11.871 0.005 3.130 1.00 0.00 O ATOM 1754 CB GLU A 112 12.357 -1.796 0.567 1.00 0.00 C ATOM 1755 CG GLU A 112 13.061 -1.916 -0.794 1.00 0.00 C ATOM 1756 CD GLU A 112 13.514 -3.348 -1.090 1.00 0.00 C ATOM 1757 OE1 GLU A 112 14.462 -3.864 -0.454 1.00 0.00 O ATOM 1758 OE2 GLU A 112 12.934 -3.967 -2.007 1.00 0.00 O ATOM 0 H GLU A 112 13.673 0.291 0.549 1.00 0.00 H new ATOM 0 HA GLU A 112 10.922 -0.324 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 112 13.077 -1.978 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 112 11.590 -2.566 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.385 -1.581 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.926 -1.253 -0.813 1.00 0.00 H new ATOM 1765 N ILE A 113 9.813 -0.380 2.305 1.00 0.00 N ATOM 1766 CA ILE A 113 9.146 -0.201 3.593 1.00 0.00 C ATOM 1767 C ILE A 113 9.424 -1.470 4.423 1.00 0.00 C ATOM 1768 O ILE A 113 9.324 -2.563 3.858 1.00 0.00 O ATOM 1769 CB ILE A 113 7.631 0.032 3.387 1.00 0.00 C ATOM 1770 CG1 ILE A 113 7.296 1.111 2.326 1.00 0.00 C ATOM 1771 CG2 ILE A 113 6.930 0.350 4.719 1.00 0.00 C ATOM 1772 CD1 ILE A 113 7.789 2.528 2.632 1.00 0.00 C ATOM 0 H ILE A 113 9.184 -0.603 1.534 1.00 0.00 H new ATOM 0 HA ILE A 113 9.524 0.676 4.118 1.00 0.00 H new ATOM 0 HB ILE A 113 7.246 -0.909 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.720 0.798 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.214 1.144 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.866 0.509 4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.062 -0.484 5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.364 1.251 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.498 3.197 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.346 2.874 3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.875 2.523 2.726 1.00 0.00 H new ATOM 1784 N PRO A 114 9.746 -1.375 5.730 1.00 0.00 N ATOM 1785 CA PRO A 114 9.864 -2.535 6.613 1.00 0.00 C ATOM 1786 C PRO A 114 8.589 -3.394 6.669 1.00 0.00 C ATOM 1787 O PRO A 114 7.537 -3.023 6.138 1.00 0.00 O ATOM 1788 CB PRO A 114 10.235 -1.986 7.999 1.00 0.00 C ATOM 1789 CG PRO A 114 10.794 -0.593 7.716 1.00 0.00 C ATOM 1790 CD PRO A 114 10.055 -0.154 6.455 1.00 0.00 C ATOM 0 HA PRO A 114 10.628 -3.212 6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 114 9.365 -1.940 8.654 1.00 0.00 H new ATOM 0 HB3 PRO A 114 10.973 -2.618 8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 114 10.609 0.089 8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 114 11.872 -0.619 7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.146 0.393 6.705 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.672 0.513 5.853 1.00 0.00 H new ATOM 1798 N ASP A 115 8.675 -4.535 7.357 1.00 0.00 N ATOM 1799 CA ASP A 115 7.630 -5.556 7.420 1.00 0.00 C ATOM 1800 C ASP A 115 7.236 -5.779 8.885 1.00 0.00 C ATOM 1801 O ASP A 115 7.920 -6.525 9.587 1.00 0.00 O ATOM 1802 CB ASP A 115 8.129 -6.850 6.761 1.00 0.00 C ATOM 1803 CG ASP A 115 7.059 -7.951 6.824 1.00 0.00 C ATOM 1804 OD1 ASP A 115 5.956 -7.731 6.275 1.00 0.00 O ATOM 1805 OD2 ASP A 115 7.336 -9.036 7.381 1.00 0.00 O ATOM 0 H ASP A 115 9.501 -4.780 7.903 1.00 0.00 H new ATOM 0 HA ASP A 115 6.745 -5.228 6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 115 8.393 -6.654 5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 115 9.036 -7.190 7.261 1.00 0.00 H new ATOM 1810 N PRO A 116 6.193 -5.099 9.399 1.00 0.00 N ATOM 1811 CA PRO A 116 5.858 -5.105 10.820 1.00 0.00 C ATOM 1812 C PRO A 116 5.041 -6.339 11.243 1.00 0.00 C ATOM 1813 O PRO A 116 4.744 -6.472 12.424 1.00 0.00 O ATOM 1814 CB PRO A 116 5.052 -3.820 11.028 1.00 0.00 C ATOM 1815 CG PRO A 116 4.283 -3.693 9.717 1.00 0.00 C ATOM 1816 CD PRO A 116 5.278 -4.224 8.681 1.00 0.00 C ATOM 0 HA PRO A 116 6.759 -5.150 11.432 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.383 -3.896 11.885 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.698 -2.960 11.204 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.363 -4.278 9.730 1.00 0.00 H new ATOM 0 HG3 PRO A 116 4.001 -2.660 9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.762 -4.768 7.890 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.817 -3.405 8.205 1.00 0.00 H new ATOM 1824 N TYR A 117 4.689 -7.228 10.306 1.00 0.00 N ATOM 1825 CA TYR A 117 3.753 -8.346 10.426 1.00 0.00 C ATOM 1826 C TYR A 117 3.699 -9.050 11.796 1.00 0.00 C ATOM 1827 O TYR A 117 2.601 -9.258 12.318 1.00 0.00 O ATOM 1828 CB TYR A 117 4.097 -9.314 9.288 1.00 0.00 C ATOM 1829 CG TYR A 117 3.231 -10.551 9.200 1.00 0.00 C ATOM 1830 CD1 TYR A 117 1.888 -10.441 8.796 1.00 0.00 C ATOM 1831 CD2 TYR A 117 3.780 -11.811 9.494 1.00 0.00 C ATOM 1832 CE1 TYR A 117 1.093 -11.596 8.682 1.00 0.00 C ATOM 1833 CE2 TYR A 117 2.992 -12.969 9.386 1.00 0.00 C ATOM 1834 CZ TYR A 117 1.641 -12.866 8.976 1.00 0.00 C ATOM 1835 OH TYR A 117 0.862 -13.979 8.861 1.00 0.00 O ATOM 0 H TYR A 117 5.086 -7.177 9.368 1.00 0.00 H new ATOM 0 HA TYR A 117 2.740 -7.950 10.347 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.027 -8.775 8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 117 5.135 -9.626 9.401 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.468 -9.471 8.574 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.812 -11.889 9.804 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.063 -11.513 8.369 1.00 0.00 H new ATOM 0 HE2 TYR A 117 3.416 -13.936 9.615 1.00 0.00 H new ATOM 0 HH TYR A 117 1.387 -14.772 9.097 1.00 0.00 H new ATOM 1845 N ARG A 118 4.852 -9.386 12.395 1.00 0.00 N ATOM 1846 CA ARG A 118 4.924 -9.986 13.742 1.00 0.00 C ATOM 1847 C ARG A 118 5.958 -9.256 14.617 1.00 0.00 C ATOM 1848 O ARG A 118 6.547 -9.847 15.525 1.00 0.00 O ATOM 1849 CB ARG A 118 5.181 -11.505 13.631 1.00 0.00 C ATOM 1850 CG ARG A 118 3.939 -12.269 13.144 1.00 0.00 C ATOM 1851 CD ARG A 118 4.232 -13.764 12.989 1.00 0.00 C ATOM 1852 NE ARG A 118 3.036 -14.500 12.540 1.00 0.00 N ATOM 1853 CZ ARG A 118 2.999 -15.793 12.191 1.00 0.00 C ATOM 1854 NH1 ARG A 118 4.100 -16.539 12.228 1.00 0.00 N ATOM 1855 NH2 ARG A 118 1.849 -16.336 11.802 1.00 0.00 N ATOM 0 H ARG A 118 5.765 -9.250 11.960 1.00 0.00 H new ATOM 0 HA ARG A 118 3.966 -9.861 14.246 1.00 0.00 H new ATOM 0 HB2 ARG A 118 6.008 -11.683 12.943 1.00 0.00 H new ATOM 0 HB3 ARG A 118 5.486 -11.892 14.603 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.122 -12.128 13.851 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.609 -11.860 12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.040 -13.906 12.271 1.00 0.00 H new ATOM 0 HD3 ARG A 118 4.576 -14.170 13.940 1.00 0.00 H new ATOM 0 HE ARG A 118 2.160 -13.979 12.491 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.985 -16.128 12.525 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.059 -17.522 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.002 -15.769 11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 118 1.814 -17.320 11.535 1.00 0.00 H new ATOM 1869 N LYS A 119 6.212 -7.981 14.318 1.00 0.00 N ATOM 1870 CA LYS A 119 7.186 -7.157 15.036 1.00 0.00 C ATOM 1871 C LYS A 119 6.484 -6.369 16.152 1.00 0.00 C ATOM 1872 O LYS A 119 5.282 -6.536 16.381 1.00 0.00 O ATOM 1873 CB LYS A 119 7.899 -6.228 14.035 1.00 0.00 C ATOM 1874 CG LYS A 119 8.586 -6.947 12.856 1.00 0.00 C ATOM 1875 CD LYS A 119 9.683 -7.951 13.243 1.00 0.00 C ATOM 1876 CE LYS A 119 10.851 -7.280 13.984 1.00 0.00 C ATOM 1877 NZ LYS A 119 11.945 -8.237 14.287 1.00 0.00 N ATOM 0 H LYS A 119 5.741 -7.485 13.561 1.00 0.00 H new ATOM 0 HA LYS A 119 7.939 -7.788 15.508 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.171 -5.521 13.636 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.648 -5.646 14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.824 -7.472 12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.022 -6.195 12.198 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.254 -8.729 13.874 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.059 -8.440 12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.242 -6.463 13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.486 -6.841 14.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.711 -7.742 14.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.579 -9.004 14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.312 -8.637 13.400 1.00 0.00 H new ATOM 1891 N SER A 120 7.241 -5.537 16.870 1.00 0.00 N ATOM 1892 CA SER A 120 6.729 -4.737 17.976 1.00 0.00 C ATOM 1893 C SER A 120 5.750 -3.667 17.486 1.00 0.00 C ATOM 1894 O SER A 120 5.820 -3.235 16.331 1.00 0.00 O ATOM 1895 CB SER A 120 7.929 -4.086 18.672 1.00 0.00 C ATOM 1896 OG SER A 120 8.703 -3.348 17.735 1.00 0.00 O ATOM 0 H SER A 120 8.237 -5.401 16.695 1.00 0.00 H new ATOM 0 HA SER A 120 6.180 -5.375 18.669 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.583 -3.426 19.467 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.546 -4.853 19.140 1.00 0.00 H new ATOM 0 HG SER A 120 9.465 -2.936 18.193 1.00 0.00 H new ATOM 1902 N ARG A 121 4.904 -3.141 18.384 1.00 0.00 N ATOM 1903 CA ARG A 121 4.078 -1.964 18.085 1.00 0.00 C ATOM 1904 C ARG A 121 4.949 -0.776 17.677 1.00 0.00 C ATOM 1905 O ARG A 121 4.537 0.008 16.828 1.00 0.00 O ATOM 1906 CB ARG A 121 3.175 -1.624 19.288 1.00 0.00 C ATOM 1907 CG ARG A 121 2.131 -0.546 18.946 1.00 0.00 C ATOM 1908 CD ARG A 121 1.223 -0.229 20.141 1.00 0.00 C ATOM 1909 NE ARG A 121 0.169 0.742 19.784 1.00 0.00 N ATOM 1910 CZ ARG A 121 0.301 2.077 19.732 1.00 0.00 C ATOM 1911 NH1 ARG A 121 1.450 2.677 20.011 1.00 0.00 N ATOM 1912 NH2 ARG A 121 -0.714 2.860 19.388 1.00 0.00 N ATOM 0 H ARG A 121 4.774 -3.514 19.325 1.00 0.00 H new ATOM 0 HA ARG A 121 3.432 -2.196 17.238 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.665 -2.527 19.624 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.792 -1.279 20.117 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.640 0.363 18.625 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.522 -0.883 18.107 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.763 -1.149 20.503 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.823 0.170 20.959 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.749 0.361 19.555 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.264 2.122 20.274 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.519 3.693 19.963 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.619 2.450 19.156 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.589 3.872 19.356 1.00 0.00 H new ATOM 1926 N GLU A 122 6.162 -0.659 18.222 1.00 0.00 N ATOM 1927 CA GLU A 122 7.106 0.377 17.816 1.00 0.00 C ATOM 1928 C GLU A 122 7.478 0.218 16.335 1.00 0.00 C ATOM 1929 O GLU A 122 7.597 1.216 15.624 1.00 0.00 O ATOM 1930 CB GLU A 122 8.340 0.319 18.730 1.00 0.00 C ATOM 1931 CG GLU A 122 9.319 1.472 18.471 1.00 0.00 C ATOM 1932 CD GLU A 122 10.484 1.460 19.476 1.00 0.00 C ATOM 1933 OE1 GLU A 122 11.519 0.804 19.212 1.00 0.00 O ATOM 1934 OE2 GLU A 122 10.390 2.121 20.535 1.00 0.00 O ATOM 0 H GLU A 122 6.513 -1.278 18.953 1.00 0.00 H new ATOM 0 HA GLU A 122 6.646 1.360 17.922 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.018 0.347 19.771 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.854 -0.630 18.581 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.711 1.397 17.457 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.789 2.422 18.538 1.00 0.00 H new ATOM 1941 N THR A 123 7.603 -1.015 15.838 1.00 0.00 N ATOM 1942 CA THR A 123 7.860 -1.251 14.424 1.00 0.00 C ATOM 1943 C THR A 123 6.619 -0.894 13.593 1.00 0.00 C ATOM 1944 O THR A 123 6.767 -0.262 12.547 1.00 0.00 O ATOM 1945 CB THR A 123 8.318 -2.701 14.201 1.00 0.00 C ATOM 1946 OG1 THR A 123 9.383 -3.037 15.072 1.00 0.00 O ATOM 1947 CG2 THR A 123 8.822 -2.915 12.769 1.00 0.00 C ATOM 0 H THR A 123 7.529 -1.864 16.399 1.00 0.00 H new ATOM 0 HA THR A 123 8.670 -0.603 14.088 1.00 0.00 H new ATOM 0 HB THR A 123 7.449 -3.330 14.394 1.00 0.00 H new ATOM 0 HG1 THR A 123 9.043 -3.123 15.987 1.00 0.00 H new ATOM 0 HG21 THR A 123 9.138 -3.951 12.645 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.020 -2.694 12.064 1.00 0.00 H new ATOM 0 HG23 THR A 123 9.666 -2.253 12.578 1.00 0.00 H new ATOM 1955 N PHE A 124 5.398 -1.213 14.048 1.00 0.00 N ATOM 1956 CA PHE A 124 4.181 -0.759 13.368 1.00 0.00 C ATOM 1957 C PHE A 124 4.143 0.775 13.311 1.00 0.00 C ATOM 1958 O PHE A 124 3.798 1.327 12.269 1.00 0.00 O ATOM 1959 CB PHE A 124 2.905 -1.302 14.034 1.00 0.00 C ATOM 1960 CG PHE A 124 2.539 -2.739 13.708 1.00 0.00 C ATOM 1961 CD1 PHE A 124 3.051 -3.799 14.479 1.00 0.00 C ATOM 1962 CD2 PHE A 124 1.637 -3.022 12.662 1.00 0.00 C ATOM 1963 CE1 PHE A 124 2.683 -5.126 14.207 1.00 0.00 C ATOM 1964 CE2 PHE A 124 1.260 -4.351 12.399 1.00 0.00 C ATOM 1965 CZ PHE A 124 1.786 -5.405 13.162 1.00 0.00 C ATOM 0 H PHE A 124 5.230 -1.780 14.879 1.00 0.00 H new ATOM 0 HA PHE A 124 4.209 -1.156 12.353 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.018 -1.214 15.115 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.070 -0.662 13.748 1.00 0.00 H new ATOM 0 HD1 PHE A 124 3.734 -3.589 15.289 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.236 -2.218 12.063 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.089 -5.932 14.800 1.00 0.00 H new ATOM 0 HE2 PHE A 124 0.560 -4.562 11.604 1.00 0.00 H new ATOM 0 HZ PHE A 124 1.503 -6.425 12.947 1.00 0.00 H new ATOM 1975 N ALA A 125 4.522 1.473 14.388 1.00 0.00 N ATOM 1976 CA ALA A 125 4.555 2.932 14.426 1.00 0.00 C ATOM 1977 C ALA A 125 5.601 3.494 13.459 1.00 0.00 C ATOM 1978 O ALA A 125 5.317 4.460 12.748 1.00 0.00 O ATOM 1979 CB ALA A 125 4.811 3.412 15.859 1.00 0.00 C ATOM 0 H ALA A 125 4.815 1.035 15.261 1.00 0.00 H new ATOM 0 HA ALA A 125 3.584 3.306 14.101 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.834 4.502 15.879 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.014 3.054 16.511 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.767 3.022 16.208 1.00 0.00 H new ATOM 1985 N ALA A 126 6.790 2.887 13.391 1.00 0.00 N ATOM 1986 CA ALA A 126 7.823 3.283 12.442 1.00 0.00 C ATOM 1987 C ALA A 126 7.315 3.118 11.007 1.00 0.00 C ATOM 1988 O ALA A 126 7.438 4.042 10.203 1.00 0.00 O ATOM 1989 CB ALA A 126 9.095 2.461 12.679 1.00 0.00 C ATOM 0 H ALA A 126 7.059 2.109 13.993 1.00 0.00 H new ATOM 0 HA ALA A 126 8.065 4.335 12.593 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.862 2.763 11.966 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.455 2.632 13.693 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.874 1.402 12.547 1.00 0.00 H new ATOM 1995 N VAL A 127 6.700 1.974 10.698 1.00 0.00 N ATOM 1996 CA VAL A 127 6.140 1.712 9.377 1.00 0.00 C ATOM 1997 C VAL A 127 5.018 2.706 9.071 1.00 0.00 C ATOM 1998 O VAL A 127 5.010 3.256 7.974 1.00 0.00 O ATOM 1999 CB VAL A 127 5.712 0.232 9.275 1.00 0.00 C ATOM 2000 CG1 VAL A 127 4.880 -0.066 8.019 1.00 0.00 C ATOM 2001 CG2 VAL A 127 6.969 -0.651 9.234 1.00 0.00 C ATOM 0 H VAL A 127 6.578 1.206 11.358 1.00 0.00 H new ATOM 0 HA VAL A 127 6.895 1.868 8.606 1.00 0.00 H new ATOM 0 HB VAL A 127 5.093 0.019 10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.609 -1.122 8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.974 0.541 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.465 0.171 7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 127 6.676 -1.698 9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.574 -0.383 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.550 -0.499 10.143 1.00 0.00 H new ATOM 2011 N TYR A 128 4.119 3.003 10.018 1.00 0.00 N ATOM 2012 CA TYR A 128 3.073 4.001 9.813 1.00 0.00 C ATOM 2013 C TYR A 128 3.703 5.349 9.467 1.00 0.00 C ATOM 2014 O TYR A 128 3.284 5.989 8.507 1.00 0.00 O ATOM 2015 CB TYR A 128 2.167 4.106 11.054 1.00 0.00 C ATOM 2016 CG TYR A 128 0.971 5.033 10.876 1.00 0.00 C ATOM 2017 CD1 TYR A 128 1.150 6.431 10.849 1.00 0.00 C ATOM 2018 CD2 TYR A 128 -0.322 4.498 10.714 1.00 0.00 C ATOM 2019 CE1 TYR A 128 0.064 7.288 10.601 1.00 0.00 C ATOM 2020 CE2 TYR A 128 -1.421 5.350 10.494 1.00 0.00 C ATOM 2021 CZ TYR A 128 -1.233 6.750 10.431 1.00 0.00 C ATOM 2022 OH TYR A 128 -2.304 7.562 10.207 1.00 0.00 O ATOM 0 H TYR A 128 4.099 2.561 10.937 1.00 0.00 H new ATOM 0 HA TYR A 128 2.445 3.691 8.977 1.00 0.00 H new ATOM 0 HB2 TYR A 128 1.806 3.110 11.312 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.763 4.457 11.897 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.131 6.848 11.021 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.471 3.429 10.759 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.220 8.355 10.540 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -2.410 4.933 10.373 1.00 0.00 H new ATOM 0 HH TYR A 128 -3.113 7.018 10.114 1.00 0.00 H new ATOM 2032 N THR A 129 4.722 5.776 10.216 1.00 0.00 N ATOM 2033 CA THR A 129 5.358 7.072 10.009 1.00 0.00 C ATOM 2034 C THR A 129 6.026 7.125 8.625 1.00 0.00 C ATOM 2035 O THR A 129 5.864 8.106 7.894 1.00 0.00 O ATOM 2036 CB THR A 129 6.355 7.331 11.156 1.00 0.00 C ATOM 2037 OG1 THR A 129 5.720 7.166 12.414 1.00 0.00 O ATOM 2038 CG2 THR A 129 6.931 8.750 11.114 1.00 0.00 C ATOM 0 H THR A 129 5.126 5.233 10.979 1.00 0.00 H new ATOM 0 HA THR A 129 4.612 7.866 10.025 1.00 0.00 H new ATOM 0 HB THR A 129 7.162 6.610 11.027 1.00 0.00 H new ATOM 0 HG1 THR A 129 5.641 6.211 12.618 1.00 0.00 H new ATOM 0 HG21 THR A 129 7.628 8.885 11.941 1.00 0.00 H new ATOM 0 HG22 THR A 129 7.455 8.902 10.170 1.00 0.00 H new ATOM 0 HG23 THR A 129 6.121 9.474 11.200 1.00 0.00 H new ATOM 2046 N LEU A 130 6.739 6.063 8.234 1.00 0.00 N ATOM 2047 CA LEU A 130 7.409 5.989 6.941 1.00 0.00 C ATOM 2048 C LEU A 130 6.389 5.965 5.798 1.00 0.00 C ATOM 2049 O LEU A 130 6.576 6.640 4.783 1.00 0.00 O ATOM 2050 CB LEU A 130 8.320 4.752 6.921 1.00 0.00 C ATOM 2051 CG LEU A 130 9.108 4.567 5.609 1.00 0.00 C ATOM 2052 CD1 LEU A 130 9.955 5.788 5.234 1.00 0.00 C ATOM 2053 CD2 LEU A 130 10.013 3.342 5.742 1.00 0.00 C ATOM 0 H LEU A 130 6.865 5.231 8.810 1.00 0.00 H new ATOM 0 HA LEU A 130 8.023 6.877 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.026 4.821 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.712 3.864 7.094 1.00 0.00 H new ATOM 0 HG LEU A 130 8.378 4.434 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.484 5.592 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.307 6.655 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.678 5.987 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 130 10.575 3.203 4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.706 3.490 6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.404 2.459 5.933 1.00 0.00 H new ATOM 2065 N LEU A 131 5.294 5.220 5.961 1.00 0.00 N ATOM 2066 CA LEU A 131 4.211 5.184 4.990 1.00 0.00 C ATOM 2067 C LEU A 131 3.514 6.536 4.915 1.00 0.00 C ATOM 2068 O LEU A 131 3.102 6.914 3.826 1.00 0.00 O ATOM 2069 CB LEU A 131 3.188 4.084 5.329 1.00 0.00 C ATOM 2070 CG LEU A 131 3.678 2.657 5.020 1.00 0.00 C ATOM 2071 CD1 LEU A 131 2.653 1.632 5.517 1.00 0.00 C ATOM 2072 CD2 LEU A 131 3.897 2.442 3.519 1.00 0.00 C ATOM 0 H LEU A 131 5.138 4.625 6.774 1.00 0.00 H new ATOM 0 HA LEU A 131 4.649 4.954 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.937 4.150 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 131 2.270 4.271 4.771 1.00 0.00 H new ATOM 0 HG LEU A 131 4.630 2.525 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 131 3.008 0.626 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.522 1.741 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.699 1.800 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.242 1.423 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.959 2.604 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.646 3.146 3.156 1.00 0.00 H new ATOM 2084 N GLU A 132 3.384 7.268 6.025 1.00 0.00 N ATOM 2085 CA GLU A 132 2.736 8.573 6.030 1.00 0.00 C ATOM 2086 C GLU A 132 3.543 9.535 5.172 1.00 0.00 C ATOM 2087 O GLU A 132 2.990 10.079 4.221 1.00 0.00 O ATOM 2088 CB GLU A 132 2.513 9.068 7.470 1.00 0.00 C ATOM 2089 CG GLU A 132 1.857 10.460 7.546 1.00 0.00 C ATOM 2090 CD GLU A 132 2.853 11.612 7.386 1.00 0.00 C ATOM 2091 OE1 GLU A 132 3.765 11.779 8.224 1.00 0.00 O ATOM 2092 OE2 GLU A 132 2.712 12.394 6.425 1.00 0.00 O ATOM 0 H GLU A 132 3.725 6.970 6.939 1.00 0.00 H new ATOM 0 HA GLU A 132 1.742 8.503 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.887 8.350 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.471 9.098 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 132 1.096 10.537 6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 132 1.347 10.561 8.504 1.00 0.00 H new ATOM 2099 N ARG A 133 4.848 9.697 5.428 1.00 0.00 N ATOM 2100 CA ARG A 133 5.671 10.577 4.593 1.00 0.00 C ATOM 2101 C ARG A 133 5.677 10.118 3.133 1.00 0.00 C ATOM 2102 O ARG A 133 5.608 10.964 2.245 1.00 0.00 O ATOM 2103 CB ARG A 133 7.090 10.796 5.152 1.00 0.00 C ATOM 2104 CG ARG A 133 7.954 9.529 5.268 1.00 0.00 C ATOM 2105 CD ARG A 133 9.356 9.812 5.827 1.00 0.00 C ATOM 2106 NE ARG A 133 10.269 10.381 4.819 1.00 0.00 N ATOM 2107 CZ ARG A 133 10.619 11.660 4.651 1.00 0.00 C ATOM 2108 NH1 ARG A 133 10.099 12.634 5.398 1.00 0.00 N ATOM 2109 NH2 ARG A 133 11.514 11.932 3.713 1.00 0.00 N ATOM 0 H ARG A 133 5.347 9.240 6.191 1.00 0.00 H new ATOM 0 HA ARG A 133 5.200 11.560 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 133 7.608 11.512 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 133 7.008 11.251 6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.450 8.809 5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 133 8.046 9.067 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.275 10.502 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.781 8.886 6.214 1.00 0.00 H new ATOM 0 HE ARG A 133 10.686 9.715 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 133 9.415 12.412 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 133 10.386 13.601 5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.909 11.178 3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 133 11.808 12.895 3.553 1.00 0.00 H new ATOM 2123 N SER A 134 5.687 8.810 2.867 1.00 0.00 N ATOM 2124 CA SER A 134 5.643 8.302 1.502 1.00 0.00 C ATOM 2125 C SER A 134 4.311 8.675 0.835 1.00 0.00 C ATOM 2126 O SER A 134 4.313 9.196 -0.278 1.00 0.00 O ATOM 2127 CB SER A 134 5.873 6.788 1.499 1.00 0.00 C ATOM 2128 OG SER A 134 7.101 6.450 2.122 1.00 0.00 O ATOM 0 H SER A 134 5.725 8.085 3.584 1.00 0.00 H new ATOM 0 HA SER A 134 6.441 8.763 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 134 5.052 6.293 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.870 6.420 0.473 1.00 0.00 H new ATOM 0 HG SER A 134 7.031 6.604 3.087 1.00 0.00 H new ATOM 2134 N ALA A 135 3.178 8.465 1.515 1.00 0.00 N ATOM 2135 CA ALA A 135 1.859 8.816 0.997 1.00 0.00 C ATOM 2136 C ALA A 135 1.730 10.330 0.810 1.00 0.00 C ATOM 2137 O ALA A 135 1.123 10.775 -0.162 1.00 0.00 O ATOM 2138 CB ALA A 135 0.767 8.301 1.944 1.00 0.00 C ATOM 0 H ALA A 135 3.155 8.045 2.444 1.00 0.00 H new ATOM 0 HA ALA A 135 1.736 8.343 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.213 8.568 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.841 7.217 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.896 8.752 2.928 1.00 0.00 H new ATOM 2144 N ARG A 136 2.329 11.123 1.703 1.00 0.00 N ATOM 2145 CA ARG A 136 2.394 12.573 1.567 1.00 0.00 C ATOM 2146 C ARG A 136 3.137 12.935 0.284 1.00 0.00 C ATOM 2147 O ARG A 136 2.684 13.797 -0.460 1.00 0.00 O ATOM 2148 CB ARG A 136 3.099 13.152 2.807 1.00 0.00 C ATOM 2149 CG ARG A 136 2.842 14.648 3.021 1.00 0.00 C ATOM 2150 CD ARG A 136 3.821 15.280 4.023 1.00 0.00 C ATOM 2151 NE ARG A 136 4.086 14.477 5.231 1.00 0.00 N ATOM 2152 CZ ARG A 136 5.112 14.658 6.071 1.00 0.00 C ATOM 2153 NH1 ARG A 136 6.004 15.625 5.862 1.00 0.00 N ATOM 2154 NH2 ARG A 136 5.245 13.863 7.124 1.00 0.00 N ATOM 0 H ARG A 136 2.784 10.770 2.545 1.00 0.00 H new ATOM 0 HA ARG A 136 1.392 12.997 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.768 12.606 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 136 4.172 12.987 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.921 15.166 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.822 14.790 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 136 4.767 15.466 3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.428 16.249 4.329 1.00 0.00 H new ATOM 0 HE ARG A 136 3.434 13.722 5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 136 5.910 16.239 5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 136 6.781 15.751 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.568 13.119 7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.025 13.996 7.768 1.00 0.00 H new ATOM 2168 N GLN A 137 4.255 12.269 -0.005 1.00 0.00 N ATOM 2169 CA GLN A 137 5.027 12.509 -1.213 1.00 0.00 C ATOM 2170 C GLN A 137 4.257 12.050 -2.459 1.00 0.00 C ATOM 2171 O GLN A 137 4.253 12.780 -3.448 1.00 0.00 O ATOM 2172 CB GLN A 137 6.411 11.855 -1.088 1.00 0.00 C ATOM 2173 CG GLN A 137 7.283 12.594 -0.058 1.00 0.00 C ATOM 2174 CD GLN A 137 8.561 11.838 0.315 1.00 0.00 C ATOM 2175 OE1 GLN A 137 8.539 10.678 0.715 1.00 0.00 O ATOM 2176 NE2 GLN A 137 9.708 12.488 0.205 1.00 0.00 N ATOM 0 H GLN A 137 4.648 11.546 0.598 1.00 0.00 H new ATOM 0 HA GLN A 137 5.185 13.581 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.298 10.812 -0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.907 11.859 -2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 137 7.552 13.572 -0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 137 6.697 12.768 0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.718 13.452 -0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.582 12.025 0.453 1.00 0.00 H new ATOM 2185 N TRP A 138 3.535 10.919 -2.417 1.00 0.00 N ATOM 2186 CA TRP A 138 2.615 10.550 -3.500 1.00 0.00 C ATOM 2187 C TRP A 138 1.559 11.643 -3.707 1.00 0.00 C ATOM 2188 O TRP A 138 1.276 11.997 -4.851 1.00 0.00 O ATOM 2189 CB TRP A 138 1.953 9.179 -3.261 1.00 0.00 C ATOM 2190 CG TRP A 138 2.808 7.992 -3.600 1.00 0.00 C ATOM 2191 CD1 TRP A 138 3.520 7.250 -2.725 1.00 0.00 C ATOM 2192 CD2 TRP A 138 3.093 7.418 -4.915 1.00 0.00 C ATOM 2193 NE1 TRP A 138 4.292 6.333 -3.403 1.00 0.00 N ATOM 2194 CE2 TRP A 138 4.079 6.394 -4.762 1.00 0.00 C ATOM 2195 CE3 TRP A 138 2.661 7.697 -6.230 1.00 0.00 C ATOM 2196 CZ2 TRP A 138 4.649 5.729 -5.857 1.00 0.00 C ATOM 2197 CZ3 TRP A 138 3.212 7.020 -7.336 1.00 0.00 C ATOM 2198 CH2 TRP A 138 4.217 6.052 -7.153 1.00 0.00 C ATOM 0 H TRP A 138 3.571 10.249 -1.649 1.00 0.00 H new ATOM 0 HA TRP A 138 3.206 10.461 -4.411 1.00 0.00 H new ATOM 0 HB2 TRP A 138 1.663 9.111 -2.213 1.00 0.00 H new ATOM 0 HB3 TRP A 138 1.037 9.128 -3.849 1.00 0.00 H new ATOM 0 HD1 TRP A 138 3.489 7.360 -1.651 1.00 0.00 H new ATOM 0 HE1 TRP A 138 4.942 5.688 -2.954 1.00 0.00 H new ATOM 0 HE3 TRP A 138 1.896 8.442 -6.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.410 4.978 -5.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.860 7.246 -8.332 1.00 0.00 H new ATOM 0 HH2 TRP A 138 4.655 5.559 -8.008 1.00 0.00 H new ATOM 2209 N ALA A 139 1.010 12.210 -2.629 1.00 0.00 N ATOM 2210 CA ALA A 139 0.029 13.280 -2.724 1.00 0.00 C ATOM 2211 C ALA A 139 0.638 14.545 -3.339 1.00 0.00 C ATOM 2212 O ALA A 139 0.022 15.144 -4.217 1.00 0.00 O ATOM 2213 CB ALA A 139 -0.579 13.562 -1.347 1.00 0.00 C ATOM 0 H ALA A 139 1.236 11.937 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.770 12.956 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.312 14.365 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.067 12.662 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.209 13.860 -0.656 1.00 0.00 H new ATOM 2219 N GLN A 140 1.853 14.937 -2.937 1.00 0.00 N ATOM 2220 CA GLN A 140 2.554 16.063 -3.552 1.00 0.00 C ATOM 2221 C GLN A 140 2.758 15.813 -5.045 1.00 0.00 C ATOM 2222 O GLN A 140 2.539 16.722 -5.846 1.00 0.00 O ATOM 2223 CB GLN A 140 3.925 16.311 -2.896 1.00 0.00 C ATOM 2224 CG GLN A 140 3.869 16.927 -1.493 1.00 0.00 C ATOM 2225 CD GLN A 140 3.138 18.272 -1.460 1.00 0.00 C ATOM 2226 OE1 GLN A 140 2.072 18.406 -0.866 1.00 0.00 O ATOM 2227 NE2 GLN A 140 3.675 19.294 -2.108 1.00 0.00 N ATOM 0 H GLN A 140 2.371 14.486 -2.183 1.00 0.00 H new ATOM 0 HA GLN A 140 1.932 16.946 -3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.461 15.363 -2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.507 16.968 -3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.371 16.232 -0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.884 17.062 -1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.561 19.177 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 140 3.203 20.198 -2.115 1.00 0.00 H new ATOM 2236 N ALA A 141 3.162 14.595 -5.420 1.00 0.00 N ATOM 2237 CA ALA A 141 3.417 14.257 -6.809 1.00 0.00 C ATOM 2238 C ALA A 141 2.129 14.379 -7.614 1.00 0.00 C ATOM 2239 O ALA A 141 2.102 15.114 -8.592 1.00 0.00 O ATOM 2240 CB ALA A 141 4.006 12.852 -6.906 1.00 0.00 C ATOM 0 H ALA A 141 3.318 13.826 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 141 4.144 14.953 -7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 141 4.194 12.608 -7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 141 4.943 12.811 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 141 3.303 12.133 -6.486 1.00 0.00 H new ATOM 2246 N LEU A 142 1.050 13.728 -7.170 1.00 0.00 N ATOM 2247 CA LEU A 142 -0.277 13.825 -7.784 1.00 0.00 C ATOM 2248 C LEU A 142 -0.714 15.285 -7.928 1.00 0.00 C ATOM 2249 O LEU A 142 -1.141 15.702 -9.006 1.00 0.00 O ATOM 2250 CB LEU A 142 -1.306 13.053 -6.938 1.00 0.00 C ATOM 2251 CG LEU A 142 -1.226 11.522 -7.081 1.00 0.00 C ATOM 2252 CD1 LEU A 142 -2.037 10.850 -5.967 1.00 0.00 C ATOM 2253 CD2 LEU A 142 -1.753 11.061 -8.447 1.00 0.00 C ATOM 0 H LEU A 142 1.075 13.108 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.222 13.385 -8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.166 13.316 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -2.307 13.380 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 142 -0.178 11.232 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -1.976 9.767 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -1.634 11.141 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -3.079 11.163 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -1.683 9.975 -8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -2.794 11.365 -8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.157 11.514 -9.239 1.00 0.00 H new