USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 668 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 27 SER OG : rot 180:sc= -3.13 USER MOD Set 1.2: A 45 LYS NZ :NH3+ -120:sc= -1.42 (180deg=-6!) USER MOD Set 2.1: A 4 ASN : amide:sc= -5.03! C(o=-5.6!,f=-10!) USER MOD Set 2.2: A 6 TYR OH : rot 180:sc= 0.016 USER MOD Set 2.3: A 78 SER OG : rot 85:sc= -0.532! USER MOD Set 3.1: A 3 GLN : amide:sc= -8.85! C(o=-8.5!,f=-13!) USER MOD Set 3.2: A 64 TYR OH : rot 57:sc= 0.392 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 87:sc= 0.2 USER MOD Single : A 15 HIS : no HD1:sc= -10.3! C(o=-10!,f=-10!) USER MOD Single : A 20 THR OG1 : rot 104:sc= 0.515 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.134 K(o=-0.13,f=-4.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= -1.34! (180deg=-2.77!) USER MOD Single : A 31 SER OG : rot 96:sc= -3.54! USER MOD Single : A 34 GLN : amide:sc= -1.04 X(o=-1,f=-0.57) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.247 USER MOD Single : A 38 ASN : amide:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= 0.28 (180deg=-1.63!) USER MOD Single : A 43 ASN : amide:sc= -3.01 K(o=-3,f=-0.66) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 148:sc= -0.958! (180deg=-3.24!) USER MOD Single : A 52 SER OG : rot 93:sc= 0.863 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 170:sc= -2.16 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 49:sc= 0.293 USER MOD Single : A 75 GLN : amide:sc= -3.34! K(o=-3.3!,f=-0.91) USER MOD Single : A 82 SER OG : rot 85:sc= 0.00217 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -7.040 -0.842 11.804 1.00 0.00 N ATOM 19 CA GLU A 2 -5.946 -1.795 11.721 1.00 0.00 C ATOM 20 C GLU A 2 -5.024 -1.444 10.551 1.00 0.00 C ATOM 21 O GLU A 2 -5.479 -0.931 9.530 1.00 0.00 O ATOM 22 CB GLU A 2 -6.475 -3.225 11.591 1.00 0.00 C ATOM 23 CG GLU A 2 -6.319 -3.740 10.159 1.00 0.00 C ATOM 24 CD GLU A 2 -7.674 -3.811 9.452 1.00 0.00 C ATOM 25 OE1 GLU A 2 -8.670 -4.230 10.060 1.00 0.00 O ATOM 26 OE2 GLU A 2 -7.671 -3.409 8.226 1.00 0.00 O ATOM 0 HA GLU A 2 -5.368 -1.738 12.644 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.937 -3.879 12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.526 -3.255 11.880 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.649 -3.084 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.859 -4.728 10.172 1.00 0.00 H new ATOM 34 N GLN A 3 -3.746 -1.733 10.740 1.00 0.00 N ATOM 35 CA GLN A 3 -2.755 -1.454 9.714 1.00 0.00 C ATOM 36 C GLN A 3 -1.830 -2.658 9.528 1.00 0.00 C ATOM 37 O GLN A 3 -1.993 -3.679 10.194 1.00 0.00 O ATOM 38 CB GLN A 3 -1.955 -0.194 10.052 1.00 0.00 C ATOM 39 CG GLN A 3 -0.995 -0.452 11.216 1.00 0.00 C ATOM 40 CD GLN A 3 0.337 0.270 10.996 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.445 1.206 10.222 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.341 -0.217 11.721 1.00 0.00 N ATOM 0 H GLN A 3 -3.373 -2.158 11.589 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.275 -1.272 8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.392 0.130 9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.637 0.616 10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.447 -0.113 12.148 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.820 -1.523 11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.181 -1.004 12.350 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.271 0.196 11.647 1.00 0.00 H new ATOM 51 N ASN A 4 -0.880 -2.498 8.617 1.00 0.00 N ATOM 52 CA ASN A 4 0.071 -3.560 8.335 1.00 0.00 C ATOM 53 C ASN A 4 1.320 -2.960 7.684 1.00 0.00 C ATOM 54 O ASN A 4 1.218 -2.202 6.721 1.00 0.00 O ATOM 55 CB ASN A 4 -0.521 -4.586 7.366 1.00 0.00 C ATOM 56 CG ASN A 4 -1.261 -5.690 8.122 1.00 0.00 C ATOM 57 OD1 ASN A 4 -2.310 -5.481 8.710 1.00 0.00 O ATOM 58 ND2 ASN A 4 -0.660 -6.876 8.074 1.00 0.00 N ATOM 0 H ASN A 4 -0.749 -1.650 8.066 1.00 0.00 H new ATOM 0 HA ASN A 4 0.316 -4.052 9.276 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.206 -4.089 6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.275 -5.024 6.763 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.076 -7.678 8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.217 -6.983 7.564 1.00 0.00 H new ATOM 65 N SER A 5 2.468 -3.324 8.236 1.00 0.00 N ATOM 66 CA SER A 5 3.734 -2.830 7.722 1.00 0.00 C ATOM 67 C SER A 5 4.375 -3.882 6.814 1.00 0.00 C ATOM 68 O SER A 5 4.053 -5.066 6.906 1.00 0.00 O ATOM 69 CB SER A 5 4.686 -2.463 8.861 1.00 0.00 C ATOM 70 OG SER A 5 4.055 -2.556 10.136 1.00 0.00 O ATOM 0 H SER A 5 2.548 -3.955 9.034 1.00 0.00 H new ATOM 0 HA SER A 5 3.539 -1.927 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.552 -3.124 8.836 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.055 -1.448 8.712 1.00 0.00 H new ATOM 0 HG SER A 5 4.696 -2.315 10.837 1.00 0.00 H new ATOM 76 N TYR A 6 5.270 -3.413 5.958 1.00 0.00 N ATOM 77 CA TYR A 6 5.959 -4.297 5.034 1.00 0.00 C ATOM 78 C TYR A 6 7.323 -3.727 4.641 1.00 0.00 C ATOM 79 O TYR A 6 7.699 -2.645 5.090 1.00 0.00 O ATOM 80 CB TYR A 6 5.074 -4.377 3.788 1.00 0.00 C ATOM 81 CG TYR A 6 3.671 -4.925 4.055 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.513 -6.138 4.693 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.563 -4.204 3.657 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.192 -6.653 4.944 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.241 -4.720 3.908 1.00 0.00 C ATOM 86 CZ TYR A 6 1.122 -5.919 4.539 1.00 0.00 C ATOM 87 OH TYR A 6 -0.126 -6.405 4.777 1.00 0.00 O ATOM 0 H TYR A 6 5.534 -2.431 5.885 1.00 0.00 H new ATOM 0 HA TYR A 6 6.128 -5.272 5.491 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.987 -3.382 3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.564 -5.008 3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.380 -6.701 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.687 -3.254 3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.054 -7.601 5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.365 -4.167 3.602 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.793 -5.775 4.434 1.00 0.00 H new ATOM 97 N VAL A 7 8.027 -4.480 3.808 1.00 0.00 N ATOM 98 CA VAL A 7 9.340 -4.062 3.351 1.00 0.00 C ATOM 99 C VAL A 7 9.416 -4.206 1.829 1.00 0.00 C ATOM 100 O VAL A 7 8.974 -5.212 1.275 1.00 0.00 O ATOM 101 CB VAL A 7 10.426 -4.856 4.080 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.815 -5.990 4.906 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.467 -5.394 3.096 1.00 0.00 C ATOM 0 H VAL A 7 7.712 -5.377 3.438 1.00 0.00 H new ATOM 0 HA VAL A 7 9.509 -3.012 3.588 1.00 0.00 H new ATOM 0 HB VAL A 7 10.933 -4.177 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.608 -6.538 5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.131 -5.574 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.270 -6.667 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.227 -5.954 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.980 -6.050 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.936 -4.562 2.571 1.00 0.00 H new ATOM 113 N ILE A 8 9.977 -3.186 1.197 1.00 0.00 N ATOM 114 CA ILE A 8 10.115 -3.187 -0.250 1.00 0.00 C ATOM 115 C ILE A 8 11.327 -4.036 -0.642 1.00 0.00 C ATOM 116 O ILE A 8 12.419 -3.849 -0.108 1.00 0.00 O ATOM 117 CB ILE A 8 10.170 -1.754 -0.783 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.913 -0.975 -0.391 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.405 -1.741 -2.295 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.648 -1.716 -0.832 1.00 0.00 C ATOM 0 H ILE A 8 10.341 -2.353 1.660 1.00 0.00 H new ATOM 0 HA ILE A 8 9.242 -3.643 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 8 11.018 -1.249 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.894 -0.827 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.937 0.014 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.440 -0.711 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.350 -2.234 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.592 -2.269 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.769 -1.141 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.658 -1.840 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.615 -2.695 -0.355 1.00 0.00 H new ATOM 132 N ILE A 9 11.092 -4.951 -1.571 1.00 0.00 N ATOM 133 CA ILE A 9 12.151 -5.829 -2.040 1.00 0.00 C ATOM 134 C ILE A 9 12.292 -5.686 -3.556 1.00 0.00 C ATOM 135 O ILE A 9 13.169 -6.299 -4.162 1.00 0.00 O ATOM 136 CB ILE A 9 11.899 -7.266 -1.578 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.690 -7.869 -2.297 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.756 -7.337 -0.057 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.739 -9.397 -2.266 1.00 0.00 C ATOM 0 H ILE A 9 10.185 -5.103 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 9 13.107 -5.541 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 9 12.767 -7.868 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.771 -7.522 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.668 -7.523 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.578 -8.369 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.671 -6.975 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.917 -6.717 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.868 -9.800 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.647 -9.742 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.737 -9.740 -1.231 1.00 0.00 H new ATOM 151 N ASP A 10 11.415 -4.873 -4.125 1.00 0.00 N ATOM 152 CA ASP A 10 11.431 -4.640 -5.560 1.00 0.00 C ATOM 153 C ASP A 10 12.282 -3.406 -5.864 1.00 0.00 C ATOM 154 O ASP A 10 12.014 -2.321 -5.350 1.00 0.00 O ATOM 155 CB ASP A 10 10.019 -4.384 -6.092 1.00 0.00 C ATOM 156 CG ASP A 10 9.943 -4.018 -7.575 1.00 0.00 C ATOM 157 OD1 ASP A 10 10.964 -3.998 -8.282 1.00 0.00 O ATOM 158 OD2 ASP A 10 8.761 -3.740 -8.009 1.00 0.00 O ATOM 0 H ASP A 10 10.688 -4.367 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 10 11.842 -5.528 -6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.416 -5.276 -5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.569 -3.579 -5.511 1.00 0.00 H new ATOM 164 N GLU A 11 13.290 -3.613 -6.697 1.00 0.00 N ATOM 165 CA GLU A 11 14.183 -2.530 -7.075 1.00 0.00 C ATOM 166 C GLU A 11 13.431 -1.490 -7.909 1.00 0.00 C ATOM 167 O GLU A 11 13.965 -0.421 -8.203 1.00 0.00 O ATOM 168 CB GLU A 11 15.402 -3.062 -7.831 1.00 0.00 C ATOM 169 CG GLU A 11 15.237 -2.869 -9.340 1.00 0.00 C ATOM 170 CD GLU A 11 15.798 -1.517 -9.785 1.00 0.00 C ATOM 171 OE1 GLU A 11 16.793 -1.042 -9.216 1.00 0.00 O ATOM 172 OE2 GLU A 11 15.164 -0.957 -10.757 1.00 0.00 O ATOM 0 H GLU A 11 13.509 -4.514 -7.121 1.00 0.00 H new ATOM 0 HA GLU A 11 14.543 -2.048 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.300 -2.546 -7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.539 -4.120 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.749 -3.672 -9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.182 -2.934 -9.605 1.00 0.00 H new ATOM 180 N THR A 12 12.205 -1.839 -8.267 1.00 0.00 N ATOM 181 CA THR A 12 11.375 -0.949 -9.060 1.00 0.00 C ATOM 182 C THR A 12 10.592 0.002 -8.152 1.00 0.00 C ATOM 183 O THR A 12 10.055 1.006 -8.615 1.00 0.00 O ATOM 184 CB THR A 12 10.480 -1.809 -9.955 1.00 0.00 C ATOM 185 OG1 THR A 12 11.398 -2.577 -10.728 1.00 0.00 O ATOM 186 CG2 THR A 12 9.721 -0.980 -10.993 1.00 0.00 C ATOM 0 H THR A 12 11.766 -2.727 -8.022 1.00 0.00 H new ATOM 0 HA THR A 12 11.982 -0.309 -9.701 1.00 0.00 H new ATOM 0 HB THR A 12 9.768 -2.357 -9.338 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.634 -3.393 -10.240 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.101 -1.638 -11.602 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.088 -0.252 -10.485 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.433 -0.458 -11.633 1.00 0.00 H new ATOM 194 N GLY A 13 10.551 -0.350 -6.875 1.00 0.00 N ATOM 195 CA GLY A 13 9.842 0.459 -5.898 1.00 0.00 C ATOM 196 C GLY A 13 8.386 0.670 -6.315 1.00 0.00 C ATOM 197 O GLY A 13 8.114 1.250 -7.365 1.00 0.00 O ATOM 0 H GLY A 13 10.997 -1.185 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.878 -0.027 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.337 1.424 -5.792 1.00 0.00 H new ATOM 201 N ILE A 14 7.486 0.189 -5.470 1.00 0.00 N ATOM 202 CA ILE A 14 6.063 0.317 -5.736 1.00 0.00 C ATOM 203 C ILE A 14 5.841 1.432 -6.760 1.00 0.00 C ATOM 204 O ILE A 14 6.093 2.602 -6.474 1.00 0.00 O ATOM 205 CB ILE A 14 5.289 0.516 -4.432 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.384 -0.684 -4.144 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.510 1.832 -4.453 1.00 0.00 C ATOM 208 CD1 ILE A 14 3.008 -0.498 -4.787 1.00 0.00 C ATOM 0 H ILE A 14 7.715 -0.291 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 14 5.672 -0.602 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 14 6.006 0.581 -3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.848 -1.594 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.272 -0.810 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.968 1.949 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.204 2.663 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.802 1.822 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.384 -1.364 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.537 0.399 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.121 -0.397 -5.866 1.00 0.00 H new ATOM 220 N HIS A 15 5.368 1.031 -7.931 1.00 0.00 N ATOM 221 CA HIS A 15 5.108 1.983 -8.999 1.00 0.00 C ATOM 222 C HIS A 15 3.602 2.070 -9.251 1.00 0.00 C ATOM 223 O HIS A 15 2.806 1.550 -8.471 1.00 0.00 O ATOM 224 CB HIS A 15 5.900 1.618 -10.256 1.00 0.00 C ATOM 225 CG HIS A 15 6.229 0.149 -10.370 1.00 0.00 C ATOM 226 ND1 HIS A 15 5.776 -0.643 -11.410 1.00 0.00 N ATOM 227 CD2 HIS A 15 6.973 -0.663 -9.564 1.00 0.00 C ATOM 228 CE1 HIS A 15 6.231 -1.874 -11.228 1.00 0.00 C ATOM 229 NE2 HIS A 15 6.972 -1.885 -10.084 1.00 0.00 N ATOM 0 H HIS A 15 5.158 0.060 -8.164 1.00 0.00 H new ATOM 0 HA HIS A 15 5.450 2.974 -8.700 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.329 1.921 -11.134 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.828 2.190 -10.267 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.477 -0.363 -8.657 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.047 -2.720 -11.873 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.447 -2.698 -9.692 1.00 0.00 H new ATOM 237 N ALA A 16 3.255 2.732 -10.345 1.00 0.00 N ATOM 238 CA ALA A 16 1.858 2.895 -10.711 1.00 0.00 C ATOM 239 C ALA A 16 1.271 1.532 -11.083 1.00 0.00 C ATOM 240 O ALA A 16 0.056 1.344 -11.040 1.00 0.00 O ATOM 241 CB ALA A 16 1.745 3.911 -11.851 1.00 0.00 C ATOM 0 H ALA A 16 3.918 3.162 -10.990 1.00 0.00 H new ATOM 0 HA ALA A 16 1.283 3.283 -9.870 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.698 4.034 -12.126 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.150 4.869 -11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.307 3.554 -12.714 1.00 0.00 H new ATOM 247 N ARG A 17 2.160 0.617 -11.439 1.00 0.00 N ATOM 248 CA ARG A 17 1.745 -0.722 -11.818 1.00 0.00 C ATOM 249 C ARG A 17 1.061 -1.419 -10.640 1.00 0.00 C ATOM 250 O ARG A 17 -0.134 -1.707 -10.695 1.00 0.00 O ATOM 251 CB ARG A 17 2.941 -1.562 -12.273 1.00 0.00 C ATOM 252 CG ARG A 17 2.873 -1.844 -13.775 1.00 0.00 C ATOM 253 CD ARG A 17 3.684 -3.090 -14.137 1.00 0.00 C ATOM 254 NE ARG A 17 2.822 -4.071 -14.831 1.00 0.00 N ATOM 255 CZ ARG A 17 3.163 -5.349 -15.049 1.00 0.00 C ATOM 256 NH1 ARG A 17 4.349 -5.807 -14.628 1.00 0.00 N ATOM 257 NH2 ARG A 17 2.317 -6.168 -15.689 1.00 0.00 N ATOM 0 H ARG A 17 3.167 0.777 -11.473 1.00 0.00 H new ATOM 0 HA ARG A 17 1.044 -0.629 -12.647 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.868 -1.038 -12.039 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.959 -2.503 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.834 -1.982 -14.076 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.254 -0.985 -14.327 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.523 -2.815 -14.776 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.103 -3.536 -13.235 1.00 0.00 H new ATOM 0 HE ARG A 17 1.911 -3.756 -15.165 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.993 -5.183 -14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.608 -6.779 -14.794 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.414 -5.819 -16.010 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.576 -7.140 -15.855 1.00 0.00 H new ATOM 271 N PRO A 18 1.868 -1.675 -9.576 1.00 0.00 N ATOM 272 CA PRO A 18 1.352 -2.332 -8.387 1.00 0.00 C ATOM 273 C PRO A 18 0.500 -1.370 -7.554 1.00 0.00 C ATOM 274 O PRO A 18 -0.609 -1.711 -7.147 1.00 0.00 O ATOM 275 CB PRO A 18 2.583 -2.828 -7.647 1.00 0.00 C ATOM 276 CG PRO A 18 3.752 -2.031 -8.202 1.00 0.00 C ATOM 277 CD PRO A 18 3.286 -1.346 -9.477 1.00 0.00 C ATOM 0 HA PRO A 18 0.683 -3.160 -8.621 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.481 -2.675 -6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.729 -3.897 -7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.091 -1.293 -7.474 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.598 -2.687 -8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.440 -0.268 -9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.838 -1.707 -10.345 1.00 0.00 H new ATOM 285 N ALA A 19 1.053 -0.187 -7.327 1.00 0.00 N ATOM 286 CA ALA A 19 0.358 0.826 -6.551 1.00 0.00 C ATOM 287 C ALA A 19 -1.116 0.857 -6.964 1.00 0.00 C ATOM 288 O ALA A 19 -1.983 1.185 -6.156 1.00 0.00 O ATOM 289 CB ALA A 19 1.046 2.179 -6.744 1.00 0.00 C ATOM 0 H ALA A 19 1.973 0.092 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 19 0.398 0.589 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.524 2.939 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.081 2.112 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.023 2.451 -7.799 1.00 0.00 H new ATOM 295 N THR A 20 -1.352 0.511 -8.220 1.00 0.00 N ATOM 296 CA THR A 20 -2.705 0.497 -8.750 1.00 0.00 C ATOM 297 C THR A 20 -3.507 -0.650 -8.131 1.00 0.00 C ATOM 298 O THR A 20 -4.557 -0.424 -7.531 1.00 0.00 O ATOM 299 CB THR A 20 -2.615 0.420 -10.275 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.695 1.779 -10.697 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.846 -0.237 -10.903 1.00 0.00 C ATOM 0 H THR A 20 -0.630 0.238 -8.886 1.00 0.00 H new ATOM 0 HA THR A 20 -3.242 1.408 -8.487 1.00 0.00 H new ATOM 0 HB THR A 20 -1.722 -0.138 -10.557 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.803 2.095 -10.953 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.730 -0.266 -11.986 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.951 -1.253 -10.522 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.736 0.339 -10.649 1.00 0.00 H new ATOM 309 N MET A 21 -2.982 -1.855 -8.297 1.00 0.00 N ATOM 310 CA MET A 21 -3.636 -3.037 -7.761 1.00 0.00 C ATOM 311 C MET A 21 -3.858 -2.904 -6.253 1.00 0.00 C ATOM 312 O MET A 21 -4.935 -3.224 -5.750 1.00 0.00 O ATOM 313 CB MET A 21 -2.775 -4.269 -8.044 1.00 0.00 C ATOM 314 CG MET A 21 -2.635 -4.507 -9.550 1.00 0.00 C ATOM 315 SD MET A 21 -2.186 -6.207 -9.859 1.00 0.00 S ATOM 316 CE MET A 21 -3.776 -6.864 -10.339 1.00 0.00 C ATOM 0 H MET A 21 -2.111 -2.038 -8.795 1.00 0.00 H new ATOM 0 HA MET A 21 -4.607 -3.143 -8.244 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.788 -4.137 -7.600 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.222 -5.145 -7.574 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.573 -4.273 -10.053 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.877 -3.841 -9.963 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.677 -7.925 -10.569 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.485 -6.735 -9.521 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.138 -6.334 -11.220 1.00 0.00 H new ATOM 326 N LEU A 22 -2.823 -2.433 -5.573 1.00 0.00 N ATOM 327 CA LEU A 22 -2.892 -2.254 -4.134 1.00 0.00 C ATOM 328 C LEU A 22 -3.973 -1.222 -3.803 1.00 0.00 C ATOM 329 O LEU A 22 -4.843 -1.475 -2.971 1.00 0.00 O ATOM 330 CB LEU A 22 -1.514 -1.902 -3.570 1.00 0.00 C ATOM 331 CG LEU A 22 -0.961 -2.853 -2.507 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.092 -3.940 -3.143 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.210 -2.083 -1.419 1.00 0.00 C ATOM 0 H LEU A 22 -1.932 -2.170 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.181 -3.186 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.805 -1.861 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.563 -0.901 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.802 -3.353 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.289 -4.603 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.689 -4.516 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.744 -3.477 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.173 -2.783 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.621 -1.538 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.888 -1.378 -0.938 1.00 0.00 H new ATOM 345 N VAL A 23 -3.883 -0.083 -4.472 1.00 0.00 N ATOM 346 CA VAL A 23 -4.842 0.988 -4.260 1.00 0.00 C ATOM 347 C VAL A 23 -6.239 0.497 -4.644 1.00 0.00 C ATOM 348 O VAL A 23 -7.216 0.799 -3.960 1.00 0.00 O ATOM 349 CB VAL A 23 -4.412 2.236 -5.034 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.624 3.090 -5.412 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.394 3.053 -4.235 1.00 0.00 C ATOM 0 H VAL A 23 -3.160 0.122 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.874 1.271 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.930 1.910 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.291 3.971 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.300 2.506 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.146 3.402 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.105 3.934 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.839 3.364 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.512 2.443 -4.038 1.00 0.00 H new ATOM 361 N GLN A 24 -6.290 -0.249 -5.737 1.00 0.00 N ATOM 362 CA GLN A 24 -7.552 -0.783 -6.220 1.00 0.00 C ATOM 363 C GLN A 24 -8.157 -1.734 -5.185 1.00 0.00 C ATOM 364 O GLN A 24 -9.234 -1.471 -4.651 1.00 0.00 O ATOM 365 CB GLN A 24 -7.370 -1.484 -7.568 1.00 0.00 C ATOM 366 CG GLN A 24 -8.619 -1.331 -8.438 1.00 0.00 C ATOM 367 CD GLN A 24 -8.807 -2.547 -9.347 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.671 -3.383 -9.140 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.951 -2.600 -10.364 1.00 0.00 N ATOM 0 H GLN A 24 -5.478 -0.497 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.242 0.047 -6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.508 -1.065 -8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.162 -2.542 -7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.496 -1.209 -7.803 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.536 -0.429 -9.044 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.251 -1.867 -10.480 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.995 -3.374 -11.027 1.00 0.00 H new ATOM 378 N THR A 25 -7.439 -2.817 -4.933 1.00 0.00 N ATOM 379 CA THR A 25 -7.891 -3.808 -3.970 1.00 0.00 C ATOM 380 C THR A 25 -8.156 -3.152 -2.614 1.00 0.00 C ATOM 381 O THR A 25 -8.916 -3.679 -1.803 1.00 0.00 O ATOM 382 CB THR A 25 -6.845 -4.923 -3.912 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.452 -6.006 -4.612 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.642 -5.462 -2.495 1.00 0.00 C ATOM 0 H THR A 25 -6.547 -3.031 -5.379 1.00 0.00 H new ATOM 0 HA THR A 25 -8.840 -4.249 -4.273 1.00 0.00 H new ATOM 0 HB THR A 25 -5.896 -4.551 -4.298 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.840 -6.772 -4.624 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.890 -6.251 -2.510 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.308 -4.655 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.583 -5.865 -2.121 1.00 0.00 H new ATOM 392 N ALA A 26 -7.514 -2.011 -2.409 1.00 0.00 N ATOM 393 CA ALA A 26 -7.670 -1.277 -1.164 1.00 0.00 C ATOM 394 C ALA A 26 -9.088 -0.707 -1.089 1.00 0.00 C ATOM 395 O ALA A 26 -9.864 -1.076 -0.209 1.00 0.00 O ATOM 396 CB ALA A 26 -6.598 -0.191 -1.074 1.00 0.00 C ATOM 0 H ALA A 26 -6.885 -1.577 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.535 -1.938 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.715 0.359 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.610 -0.651 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.703 0.495 -1.915 1.00 0.00 H new ATOM 402 N SER A 27 -9.383 0.186 -2.023 1.00 0.00 N ATOM 403 CA SER A 27 -10.693 0.811 -2.073 1.00 0.00 C ATOM 404 C SER A 27 -11.733 -0.192 -2.574 1.00 0.00 C ATOM 405 O SER A 27 -12.831 -0.279 -2.025 1.00 0.00 O ATOM 406 CB SER A 27 -10.676 2.051 -2.970 1.00 0.00 C ATOM 407 OG SER A 27 -10.958 3.242 -2.240 1.00 0.00 O ATOM 0 H SER A 27 -8.737 0.491 -2.751 1.00 0.00 H new ATOM 0 HA SER A 27 -10.960 1.128 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.700 2.140 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.410 1.932 -3.767 1.00 0.00 H new ATOM 0 HG SER A 27 -10.936 4.011 -2.847 1.00 0.00 H new ATOM 413 N LYS A 28 -11.351 -0.925 -3.609 1.00 0.00 N ATOM 414 CA LYS A 28 -12.237 -1.919 -4.190 1.00 0.00 C ATOM 415 C LYS A 28 -13.107 -2.528 -3.087 1.00 0.00 C ATOM 416 O LYS A 28 -14.275 -2.839 -3.313 1.00 0.00 O ATOM 417 CB LYS A 28 -11.436 -2.954 -4.982 1.00 0.00 C ATOM 418 CG LYS A 28 -10.943 -2.368 -6.307 1.00 0.00 C ATOM 419 CD LYS A 28 -12.062 -2.353 -7.351 1.00 0.00 C ATOM 420 CE LYS A 28 -12.820 -3.682 -7.361 1.00 0.00 C ATOM 421 NZ LYS A 28 -13.977 -3.627 -6.440 1.00 0.00 N ATOM 0 H LYS A 28 -10.439 -0.850 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.911 -1.454 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.585 -3.291 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.056 -3.829 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.577 -1.354 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.103 -2.955 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.753 -1.538 -7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.641 -2.163 -8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.163 -3.904 -8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.151 -4.491 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.849 -4.326 -5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.047 -2.675 -6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.849 -3.842 -6.965 1.00 0.00 H new ATOM 435 N PHE A 29 -12.503 -2.678 -1.917 1.00 0.00 N ATOM 436 CA PHE A 29 -13.206 -3.245 -0.779 1.00 0.00 C ATOM 437 C PHE A 29 -14.262 -2.271 -0.249 1.00 0.00 C ATOM 438 O PHE A 29 -15.425 -2.338 -0.643 1.00 0.00 O ATOM 439 CB PHE A 29 -12.164 -3.491 0.313 1.00 0.00 C ATOM 440 CG PHE A 29 -11.379 -4.793 0.140 1.00 0.00 C ATOM 441 CD1 PHE A 29 -10.836 -5.105 -1.067 1.00 0.00 C ATOM 442 CD2 PHE A 29 -11.223 -5.639 1.195 1.00 0.00 C ATOM 443 CE1 PHE A 29 -10.108 -6.313 -1.228 1.00 0.00 C ATOM 444 CE2 PHE A 29 -10.494 -6.847 1.034 1.00 0.00 C ATOM 445 CZ PHE A 29 -9.952 -7.158 -0.174 1.00 0.00 C ATOM 0 H PHE A 29 -11.534 -2.417 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.711 -4.165 -1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.464 -2.656 0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.664 -3.506 1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.959 -4.433 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.653 -5.392 2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.678 -6.561 -2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.370 -7.519 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.397 -8.077 -0.296 1.00 0.00 H new ATOM 455 N ASP A 30 -13.818 -1.391 0.636 1.00 0.00 N ATOM 456 CA ASP A 30 -14.710 -0.406 1.224 1.00 0.00 C ATOM 457 C ASP A 30 -13.964 0.365 2.314 1.00 0.00 C ATOM 458 O ASP A 30 -13.807 1.581 2.223 1.00 0.00 O ATOM 459 CB ASP A 30 -15.924 -1.078 1.868 1.00 0.00 C ATOM 460 CG ASP A 30 -16.727 -0.188 2.820 1.00 0.00 C ATOM 461 OD1 ASP A 30 -17.213 0.885 2.434 1.00 0.00 O ATOM 462 OD2 ASP A 30 -16.845 -0.644 4.021 1.00 0.00 O ATOM 0 H ASP A 30 -12.852 -1.339 0.960 1.00 0.00 H new ATOM 0 HA ASP A 30 -15.045 0.261 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.587 -1.430 1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.586 -1.958 2.416 1.00 0.00 H new ATOM 468 N SER A 31 -13.522 -0.374 3.321 1.00 0.00 N ATOM 469 CA SER A 31 -12.795 0.224 4.427 1.00 0.00 C ATOM 470 C SER A 31 -11.891 1.347 3.914 1.00 0.00 C ATOM 471 O SER A 31 -11.546 1.379 2.733 1.00 0.00 O ATOM 472 CB SER A 31 -11.968 -0.824 5.174 1.00 0.00 C ATOM 473 OG SER A 31 -12.556 -2.119 5.102 1.00 0.00 O ATOM 0 H SER A 31 -13.654 -1.383 3.394 1.00 0.00 H new ATOM 0 HA SER A 31 -13.520 0.641 5.126 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.963 -0.859 4.754 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.867 -0.529 6.219 1.00 0.00 H new ATOM 0 HG SER A 31 -12.145 -2.624 4.370 1.00 0.00 H new ATOM 479 N ASP A 32 -11.536 2.240 4.825 1.00 0.00 N ATOM 480 CA ASP A 32 -10.678 3.361 4.478 1.00 0.00 C ATOM 481 C ASP A 32 -9.222 2.990 4.760 1.00 0.00 C ATOM 482 O ASP A 32 -8.691 3.304 5.825 1.00 0.00 O ATOM 483 CB ASP A 32 -11.021 4.596 5.315 1.00 0.00 C ATOM 484 CG ASP A 32 -12.488 5.026 5.262 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.367 4.250 4.855 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.720 6.229 5.664 1.00 0.00 O ATOM 0 H ASP A 32 -11.826 2.211 5.802 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.828 3.586 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.753 4.399 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.402 5.428 4.979 1.00 0.00 H new ATOM 492 N ILE A 33 -8.615 2.326 3.787 1.00 0.00 N ATOM 493 CA ILE A 33 -7.229 1.907 3.917 1.00 0.00 C ATOM 494 C ILE A 33 -6.312 3.092 3.606 1.00 0.00 C ATOM 495 O ILE A 33 -6.623 3.912 2.744 1.00 0.00 O ATOM 496 CB ILE A 33 -6.958 0.676 3.052 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.952 -0.445 3.366 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.507 0.211 3.198 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.813 -0.772 2.144 1.00 0.00 C ATOM 0 H ILE A 33 -9.058 2.068 2.905 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.018 1.600 4.941 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.104 0.954 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.412 -1.337 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.592 -0.147 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.341 -0.666 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.835 1.011 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.310 -0.044 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.511 -1.571 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.370 0.115 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.172 -1.093 1.323 1.00 0.00 H new ATOM 511 N GLN A 34 -5.200 3.144 4.325 1.00 0.00 N ATOM 512 CA GLN A 34 -4.236 4.213 4.135 1.00 0.00 C ATOM 513 C GLN A 34 -2.824 3.639 4.002 1.00 0.00 C ATOM 514 O GLN A 34 -2.502 2.625 4.619 1.00 0.00 O ATOM 515 CB GLN A 34 -4.310 5.227 5.280 1.00 0.00 C ATOM 516 CG GLN A 34 -2.944 5.399 5.948 1.00 0.00 C ATOM 517 CD GLN A 34 -2.968 6.550 6.957 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.650 6.393 8.124 1.00 0.00 O ATOM 519 NE2 GLN A 34 -3.364 7.711 6.442 1.00 0.00 N ATOM 0 H GLN A 34 -4.946 2.463 5.040 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.482 4.737 3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.656 6.188 4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.041 4.895 6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.663 4.474 6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.186 5.592 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.616 7.772 5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.416 8.540 7.034 1.00 0.00 H new ATOM 528 N LEU A 35 -2.020 4.312 3.193 1.00 0.00 N ATOM 529 CA LEU A 35 -0.650 3.881 2.971 1.00 0.00 C ATOM 530 C LEU A 35 0.287 4.690 3.870 1.00 0.00 C ATOM 531 O LEU A 35 -0.023 5.822 4.236 1.00 0.00 O ATOM 532 CB LEU A 35 -0.297 3.961 1.484 1.00 0.00 C ATOM 533 CG LEU A 35 0.897 3.119 1.031 1.00 0.00 C ATOM 534 CD1 LEU A 35 0.913 2.964 -0.491 1.00 0.00 C ATOM 535 CD2 LEU A 35 2.210 3.697 1.563 1.00 0.00 C ATOM 0 H LEU A 35 -2.291 5.153 2.683 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.531 2.833 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.170 3.657 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.097 5.003 1.234 1.00 0.00 H new ATOM 0 HG LEU A 35 0.791 2.120 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.772 2.361 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.004 2.473 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.983 3.947 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.042 3.079 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.338 4.713 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.186 3.711 2.653 1.00 0.00 H new ATOM 547 N GLU A 36 1.415 4.076 4.199 1.00 0.00 N ATOM 548 CA GLU A 36 2.399 4.726 5.048 1.00 0.00 C ATOM 549 C GLU A 36 3.811 4.282 4.660 1.00 0.00 C ATOM 550 O GLU A 36 4.008 3.158 4.201 1.00 0.00 O ATOM 551 CB GLU A 36 2.121 4.440 6.526 1.00 0.00 C ATOM 552 CG GLU A 36 3.310 4.853 7.396 1.00 0.00 C ATOM 553 CD GLU A 36 3.126 4.375 8.838 1.00 0.00 C ATOM 554 OE1 GLU A 36 3.179 3.165 9.102 1.00 0.00 O ATOM 555 OE2 GLU A 36 2.920 5.313 9.701 1.00 0.00 O ATOM 0 H GLU A 36 1.669 3.137 3.893 1.00 0.00 H new ATOM 0 HA GLU A 36 2.324 5.803 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.229 4.980 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.917 3.378 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.229 4.435 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.418 5.938 7.379 1.00 0.00 H new ATOM 563 N TYR A 37 4.756 5.189 4.858 1.00 0.00 N ATOM 564 CA TYR A 37 6.144 4.905 4.534 1.00 0.00 C ATOM 565 C TYR A 37 7.091 5.772 5.366 1.00 0.00 C ATOM 566 O TYR A 37 7.164 6.983 5.167 1.00 0.00 O ATOM 567 CB TYR A 37 6.314 5.261 3.056 1.00 0.00 C ATOM 568 CG TYR A 37 7.749 5.130 2.544 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.608 4.218 3.125 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.187 5.923 1.504 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.960 4.095 2.644 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.538 5.800 1.023 1.00 0.00 C ATOM 573 CZ TYR A 37 10.358 4.892 1.617 1.00 0.00 C ATOM 574 OH TYR A 37 11.634 4.776 1.162 1.00 0.00 O ATOM 0 H TYR A 37 4.588 6.120 5.238 1.00 0.00 H new ATOM 0 HA TYR A 37 6.380 3.862 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.667 4.616 2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.975 6.285 2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.266 3.597 3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.516 6.637 1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.642 3.386 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.893 6.415 0.209 1.00 0.00 H new ATOM 0 HH TYR A 37 11.777 5.406 0.426 1.00 0.00 H new ATOM 584 N ASN A 38 7.790 5.117 6.282 1.00 0.00 N ATOM 585 CA ASN A 38 8.728 5.813 7.146 1.00 0.00 C ATOM 586 C ASN A 38 8.023 7.001 7.806 1.00 0.00 C ATOM 587 O ASN A 38 8.523 8.124 7.768 1.00 0.00 O ATOM 588 CB ASN A 38 9.916 6.354 6.347 1.00 0.00 C ATOM 589 CG ASN A 38 9.452 7.346 5.278 1.00 0.00 C ATOM 590 OD1 ASN A 38 8.986 8.436 5.566 1.00 0.00 O ATOM 591 ND2 ASN A 38 9.604 6.907 4.032 1.00 0.00 N ATOM 0 H ASN A 38 7.725 4.112 6.444 1.00 0.00 H new ATOM 0 HA ASN A 38 9.087 5.105 7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.620 6.843 7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.448 5.528 5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.323 7.494 3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.001 5.983 3.862 1.00 0.00 H new ATOM 598 N GLY A 39 6.872 6.711 8.395 1.00 0.00 N ATOM 599 CA GLY A 39 6.093 7.740 9.063 1.00 0.00 C ATOM 600 C GLY A 39 5.375 8.629 8.046 1.00 0.00 C ATOM 601 O GLY A 39 4.730 9.608 8.419 1.00 0.00 O ATOM 0 H GLY A 39 6.460 5.778 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.363 7.276 9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.747 8.349 9.687 1.00 0.00 H new ATOM 605 N LYS A 40 5.509 8.256 6.782 1.00 0.00 N ATOM 606 CA LYS A 40 4.881 9.008 5.710 1.00 0.00 C ATOM 607 C LYS A 40 3.604 8.290 5.269 1.00 0.00 C ATOM 608 O LYS A 40 3.647 7.408 4.411 1.00 0.00 O ATOM 609 CB LYS A 40 5.874 9.250 4.571 1.00 0.00 C ATOM 610 CG LYS A 40 6.000 10.743 4.262 1.00 0.00 C ATOM 611 CD LYS A 40 7.031 11.408 5.175 1.00 0.00 C ATOM 612 CE LYS A 40 7.187 12.892 4.839 1.00 0.00 C ATOM 613 NZ LYS A 40 8.604 13.305 4.955 1.00 0.00 N ATOM 0 H LYS A 40 6.043 7.443 6.476 1.00 0.00 H new ATOM 0 HA LYS A 40 4.587 9.997 6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.850 8.848 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.546 8.717 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.291 10.879 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.032 11.227 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.725 11.298 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.992 10.905 5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.829 13.081 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.572 13.490 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.691 14.315 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.934 13.143 5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.183 12.747 4.295 1.00 0.00 H new ATOM 627 N LYS A 41 2.497 8.692 5.875 1.00 0.00 N ATOM 628 CA LYS A 41 1.210 8.098 5.556 1.00 0.00 C ATOM 629 C LYS A 41 0.575 8.861 4.392 1.00 0.00 C ATOM 630 O LYS A 41 0.815 10.055 4.224 1.00 0.00 O ATOM 631 CB LYS A 41 0.326 8.031 6.804 1.00 0.00 C ATOM 632 CG LYS A 41 1.079 7.399 7.976 1.00 0.00 C ATOM 633 CD LYS A 41 2.011 8.414 8.640 1.00 0.00 C ATOM 634 CE LYS A 41 1.919 8.326 10.166 1.00 0.00 C ATOM 635 NZ LYS A 41 3.266 8.414 10.772 1.00 0.00 N ATOM 0 H LYS A 41 2.465 9.423 6.586 1.00 0.00 H new ATOM 0 HA LYS A 41 1.338 7.066 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.002 9.034 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.571 7.451 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.367 7.020 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.657 6.545 7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.038 8.232 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.750 9.421 8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.290 9.131 10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.445 7.388 10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.208 8.927 11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.634 7.456 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.905 8.921 10.127 1.00 0.00 H new ATOM 649 N VAL A 42 -0.224 8.140 3.619 1.00 0.00 N ATOM 650 CA VAL A 42 -0.896 8.734 2.476 1.00 0.00 C ATOM 651 C VAL A 42 -2.219 8.006 2.233 1.00 0.00 C ATOM 652 O VAL A 42 -2.649 7.199 3.056 1.00 0.00 O ATOM 653 CB VAL A 42 0.030 8.716 1.258 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.490 8.545 1.682 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.386 7.625 0.269 1.00 0.00 C ATOM 0 H VAL A 42 -0.421 7.149 3.762 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.132 9.780 2.672 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.061 9.678 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.127 8.535 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.780 9.373 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.604 7.605 2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.288 7.634 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.338 6.652 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.405 7.811 -0.070 1.00 0.00 H new ATOM 665 N ASN A 43 -2.828 8.316 1.098 1.00 0.00 N ATOM 666 CA ASN A 43 -4.094 7.701 0.735 1.00 0.00 C ATOM 667 C ASN A 43 -3.828 6.473 -0.138 1.00 0.00 C ATOM 668 O ASN A 43 -3.363 6.600 -1.269 1.00 0.00 O ATOM 669 CB ASN A 43 -4.967 8.670 -0.066 1.00 0.00 C ATOM 670 CG ASN A 43 -6.380 8.741 0.515 1.00 0.00 C ATOM 671 OD1 ASN A 43 -6.704 9.592 1.328 1.00 0.00 O ATOM 672 ND2 ASN A 43 -7.203 7.802 0.054 1.00 0.00 N ATOM 0 H ASN A 43 -2.468 8.985 0.417 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.611 7.425 1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.516 9.662 -0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.013 8.349 -1.107 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.169 7.765 0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.868 7.119 -0.626 1.00 0.00 H new ATOM 679 N LEU A 44 -4.134 5.312 0.422 1.00 0.00 N ATOM 680 CA LEU A 44 -3.933 4.062 -0.291 1.00 0.00 C ATOM 681 C LEU A 44 -4.992 3.930 -1.389 1.00 0.00 C ATOM 682 O LEU A 44 -5.257 2.831 -1.872 1.00 0.00 O ATOM 683 CB LEU A 44 -3.913 2.884 0.686 1.00 0.00 C ATOM 684 CG LEU A 44 -3.852 1.491 0.057 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.065 1.516 -1.254 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.288 0.468 1.045 1.00 0.00 C ATOM 0 H LEU A 44 -4.519 5.211 1.361 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.960 4.057 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.054 3.000 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.805 2.940 1.310 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.868 1.180 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.037 0.513 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.549 2.195 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.048 1.857 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.255 -0.514 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.281 0.763 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.926 0.425 1.928 1.00 0.00 H new ATOM 698 N LYS A 45 -5.567 5.068 -1.751 1.00 0.00 N ATOM 699 CA LYS A 45 -6.589 5.094 -2.782 1.00 0.00 C ATOM 700 C LYS A 45 -6.127 5.994 -3.930 1.00 0.00 C ATOM 701 O LYS A 45 -6.880 6.243 -4.870 1.00 0.00 O ATOM 702 CB LYS A 45 -7.940 5.500 -2.188 1.00 0.00 C ATOM 703 CG LYS A 45 -8.023 5.124 -0.707 1.00 0.00 C ATOM 704 CD LYS A 45 -8.684 3.756 -0.526 1.00 0.00 C ATOM 705 CE LYS A 45 -9.982 3.876 0.274 1.00 0.00 C ATOM 706 NZ LYS A 45 -10.424 2.546 0.748 1.00 0.00 N ATOM 0 H LYS A 45 -5.344 5.978 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.736 4.097 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.084 6.574 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.745 5.010 -2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.022 5.109 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.592 5.881 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.893 3.317 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.998 3.082 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.831 4.540 1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.758 4.324 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.366 2.335 0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.749 1.822 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.468 2.545 1.787 1.00 0.00 H new ATOM 720 N SER A 46 -4.890 6.456 -3.816 1.00 0.00 N ATOM 721 CA SER A 46 -4.319 7.323 -4.832 1.00 0.00 C ATOM 722 C SER A 46 -2.927 6.823 -5.223 1.00 0.00 C ATOM 723 O SER A 46 -2.184 6.319 -4.381 1.00 0.00 O ATOM 724 CB SER A 46 -4.245 8.770 -4.343 1.00 0.00 C ATOM 725 OG SER A 46 -4.209 9.698 -5.424 1.00 0.00 O ATOM 0 H SER A 46 -4.268 6.246 -3.036 1.00 0.00 H new ATOM 0 HA SER A 46 -4.967 7.297 -5.708 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.107 8.983 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.356 8.899 -3.725 1.00 0.00 H new ATOM 0 HG SER A 46 -4.164 10.611 -5.070 1.00 0.00 H new ATOM 731 N ILE A 47 -2.613 6.980 -6.501 1.00 0.00 N ATOM 732 CA ILE A 47 -1.323 6.551 -7.014 1.00 0.00 C ATOM 733 C ILE A 47 -0.303 7.674 -6.818 1.00 0.00 C ATOM 734 O ILE A 47 0.759 7.457 -6.237 1.00 0.00 O ATOM 735 CB ILE A 47 -1.452 6.084 -8.465 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.879 4.676 -8.641 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.811 7.088 -9.425 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.573 3.681 -7.710 1.00 0.00 C ATOM 0 H ILE A 47 -3.230 7.399 -7.197 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.959 5.688 -6.457 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.512 6.034 -8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.001 4.357 -9.676 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.191 4.687 -8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.917 6.731 -10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.305 8.054 -9.324 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.247 7.195 -9.186 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.147 2.688 -7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.429 3.990 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.639 3.655 -7.935 1.00 0.00 H new ATOM 750 N MET A 48 -0.660 8.849 -7.315 1.00 0.00 N ATOM 751 CA MET A 48 0.212 10.006 -7.203 1.00 0.00 C ATOM 752 C MET A 48 0.939 10.015 -5.856 1.00 0.00 C ATOM 753 O MET A 48 2.055 10.523 -5.753 1.00 0.00 O ATOM 754 CB MET A 48 -0.616 11.285 -7.343 1.00 0.00 C ATOM 755 CG MET A 48 -1.056 11.496 -8.794 1.00 0.00 C ATOM 756 SD MET A 48 -0.968 13.229 -9.212 1.00 0.00 S ATOM 757 CE MET A 48 0.441 13.212 -10.307 1.00 0.00 C ATOM 0 H MET A 48 -1.542 9.025 -7.797 1.00 0.00 H new ATOM 0 HA MET A 48 0.956 9.955 -7.998 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.493 11.228 -6.698 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.030 12.141 -7.009 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.418 10.919 -9.464 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.074 11.132 -8.931 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.637 14.223 -10.664 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.314 12.841 -9.771 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.234 12.561 -11.157 1.00 0.00 H new ATOM 767 N GLY A 49 0.279 9.445 -4.859 1.00 0.00 N ATOM 768 CA GLY A 49 0.849 9.381 -3.524 1.00 0.00 C ATOM 769 C GLY A 49 1.765 8.164 -3.377 1.00 0.00 C ATOM 770 O GLY A 49 2.927 8.299 -2.998 1.00 0.00 O ATOM 0 H GLY A 49 -0.645 9.023 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.413 10.292 -3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.049 9.330 -2.785 1.00 0.00 H new ATOM 774 N VAL A 50 1.205 7.003 -3.684 1.00 0.00 N ATOM 775 CA VAL A 50 1.957 5.762 -3.591 1.00 0.00 C ATOM 776 C VAL A 50 3.174 5.838 -4.516 1.00 0.00 C ATOM 777 O VAL A 50 4.200 5.215 -4.250 1.00 0.00 O ATOM 778 CB VAL A 50 1.045 4.573 -3.900 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.848 3.273 -3.981 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.077 4.461 -2.866 1.00 0.00 C ATOM 0 H VAL A 50 0.240 6.895 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 50 2.328 5.615 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 50 0.587 4.745 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.176 2.444 -4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.595 3.355 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.346 3.093 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.711 3.608 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.354 4.323 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.675 5.372 -2.878 1.00 0.00 H new ATOM 790 N MET A 51 3.019 6.608 -5.583 1.00 0.00 N ATOM 791 CA MET A 51 4.093 6.773 -6.548 1.00 0.00 C ATOM 792 C MET A 51 5.139 7.769 -6.041 1.00 0.00 C ATOM 793 O MET A 51 6.333 7.480 -6.056 1.00 0.00 O ATOM 794 CB MET A 51 3.514 7.272 -7.875 1.00 0.00 C ATOM 795 CG MET A 51 2.516 6.266 -8.451 1.00 0.00 C ATOM 796 SD MET A 51 2.388 6.477 -10.218 1.00 0.00 S ATOM 797 CE MET A 51 4.116 6.422 -10.664 1.00 0.00 C ATOM 0 H MET A 51 2.167 7.124 -5.801 1.00 0.00 H new ATOM 0 HA MET A 51 4.578 5.808 -6.692 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.021 8.232 -7.722 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.321 7.438 -8.588 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.837 5.250 -8.220 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.539 6.405 -7.988 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.222 5.980 -11.655 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.522 7.434 -10.672 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.660 5.819 -9.938 1.00 0.00 H new ATOM 807 N SER A 52 4.649 8.920 -5.602 1.00 0.00 N ATOM 808 CA SER A 52 5.527 9.958 -5.091 1.00 0.00 C ATOM 809 C SER A 52 6.021 9.584 -3.692 1.00 0.00 C ATOM 810 O SER A 52 6.709 10.370 -3.043 1.00 0.00 O ATOM 811 CB SER A 52 4.815 11.313 -5.058 1.00 0.00 C ATOM 812 OG SER A 52 4.422 11.742 -6.359 1.00 0.00 O ATOM 0 H SER A 52 3.657 9.156 -5.590 1.00 0.00 H new ATOM 0 HA SER A 52 6.383 10.043 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.935 11.245 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.475 12.059 -4.614 1.00 0.00 H new ATOM 0 HG SER A 52 3.503 11.452 -6.535 1.00 0.00 H new ATOM 818 N LEU A 53 5.652 8.385 -3.270 1.00 0.00 N ATOM 819 CA LEU A 53 6.049 7.896 -1.961 1.00 0.00 C ATOM 820 C LEU A 53 7.434 7.252 -2.060 1.00 0.00 C ATOM 821 O LEU A 53 7.892 6.610 -1.116 1.00 0.00 O ATOM 822 CB LEU A 53 4.978 6.966 -1.387 1.00 0.00 C ATOM 823 CG LEU A 53 4.010 7.597 -0.384 1.00 0.00 C ATOM 824 CD1 LEU A 53 4.508 7.408 1.050 1.00 0.00 C ATOM 825 CD2 LEU A 53 3.759 9.069 -0.715 1.00 0.00 C ATOM 0 H LEU A 53 5.081 7.736 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 53 6.131 8.723 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.398 6.558 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.476 6.126 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 53 3.052 7.083 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.802 7.865 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.593 6.343 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.484 7.880 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.068 9.493 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.702 9.615 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.329 9.149 -1.713 1.00 0.00 H new ATOM 837 N GLY A 54 8.061 7.445 -3.211 1.00 0.00 N ATOM 838 CA GLY A 54 9.383 6.891 -3.445 1.00 0.00 C ATOM 839 C GLY A 54 9.555 5.556 -2.718 1.00 0.00 C ATOM 840 O GLY A 54 10.561 5.338 -2.045 1.00 0.00 O ATOM 0 H GLY A 54 7.678 7.978 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.538 6.749 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.142 7.595 -3.104 1.00 0.00 H new ATOM 844 N VAL A 55 8.558 4.698 -2.878 1.00 0.00 N ATOM 845 CA VAL A 55 8.586 3.391 -2.245 1.00 0.00 C ATOM 846 C VAL A 55 9.763 2.586 -2.801 1.00 0.00 C ATOM 847 O VAL A 55 9.567 1.537 -3.412 1.00 0.00 O ATOM 848 CB VAL A 55 7.239 2.689 -2.433 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.228 1.328 -1.734 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.089 3.569 -1.938 1.00 0.00 C ATOM 0 H VAL A 55 7.725 4.883 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 55 8.738 3.490 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 55 7.096 2.519 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.260 0.850 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.012 0.697 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.404 1.465 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.143 3.047 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.226 3.785 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.078 4.503 -2.500 1.00 0.00 H new ATOM 860 N GLY A 56 10.958 3.107 -2.567 1.00 0.00 N ATOM 861 CA GLY A 56 12.166 2.449 -3.036 1.00 0.00 C ATOM 862 C GLY A 56 12.373 1.111 -2.323 1.00 0.00 C ATOM 863 O GLY A 56 11.689 0.811 -1.346 1.00 0.00 O ATOM 0 H GLY A 56 11.116 3.977 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.101 2.286 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.027 3.095 -2.863 1.00 0.00 H new ATOM 867 N LYS A 57 13.322 0.344 -2.840 1.00 0.00 N ATOM 868 CA LYS A 57 13.629 -0.955 -2.266 1.00 0.00 C ATOM 869 C LYS A 57 14.321 -0.760 -0.915 1.00 0.00 C ATOM 870 O LYS A 57 14.821 0.324 -0.621 1.00 0.00 O ATOM 871 CB LYS A 57 14.435 -1.801 -3.253 1.00 0.00 C ATOM 872 CG LYS A 57 14.093 -3.286 -3.111 1.00 0.00 C ATOM 873 CD LYS A 57 15.290 -4.163 -3.482 1.00 0.00 C ATOM 874 CE LYS A 57 15.889 -3.734 -4.823 1.00 0.00 C ATOM 875 NZ LYS A 57 17.253 -4.285 -4.981 1.00 0.00 N ATOM 0 H LYS A 57 13.888 0.597 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 57 12.712 -1.514 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.229 -1.473 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.501 -1.652 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.788 -3.496 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.246 -3.531 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.049 -4.097 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.978 -5.206 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.254 -4.080 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.921 -2.646 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.645 -3.984 -5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.860 -3.935 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.214 -5.324 -4.945 1.00 0.00 H new ATOM 889 N ASP A 58 14.327 -1.827 -0.130 1.00 0.00 N ATOM 890 CA ASP A 58 14.950 -1.788 1.183 1.00 0.00 C ATOM 891 C ASP A 58 14.188 -0.804 2.074 1.00 0.00 C ATOM 892 O ASP A 58 14.598 -0.538 3.202 1.00 0.00 O ATOM 893 CB ASP A 58 16.401 -1.312 1.089 1.00 0.00 C ATOM 894 CG ASP A 58 16.992 -0.778 2.395 1.00 0.00 C ATOM 895 OD1 ASP A 58 17.121 0.440 2.587 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.333 -1.683 3.250 1.00 0.00 O ATOM 0 H ASP A 58 13.910 -2.724 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 58 14.926 -2.795 1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.018 -2.141 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.463 -0.529 0.333 1.00 0.00 H new ATOM 902 N ALA A 59 13.092 -0.293 1.534 1.00 0.00 N ATOM 903 CA ALA A 59 12.268 0.654 2.266 1.00 0.00 C ATOM 904 C ALA A 59 11.059 -0.076 2.854 1.00 0.00 C ATOM 905 O ALA A 59 10.456 -0.919 2.192 1.00 0.00 O ATOM 906 CB ALA A 59 11.862 1.802 1.339 1.00 0.00 C ATOM 0 H ALA A 59 12.755 -0.517 0.598 1.00 0.00 H new ATOM 0 HA ALA A 59 12.827 1.087 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.244 2.512 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.756 2.307 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.297 1.406 0.495 1.00 0.00 H new ATOM 912 N GLU A 60 10.740 0.275 4.091 1.00 0.00 N ATOM 913 CA GLU A 60 9.613 -0.336 4.776 1.00 0.00 C ATOM 914 C GLU A 60 8.383 0.568 4.682 1.00 0.00 C ATOM 915 O GLU A 60 8.418 1.718 5.118 1.00 0.00 O ATOM 916 CB GLU A 60 9.960 -0.643 6.234 1.00 0.00 C ATOM 917 CG GLU A 60 11.153 -1.596 6.325 1.00 0.00 C ATOM 918 CD GLU A 60 11.824 -1.502 7.697 1.00 0.00 C ATOM 919 OE1 GLU A 60 12.176 -0.400 8.142 1.00 0.00 O ATOM 920 OE2 GLU A 60 11.976 -2.629 8.308 1.00 0.00 O ATOM 0 H GLU A 60 11.242 0.975 4.637 1.00 0.00 H new ATOM 0 HA GLU A 60 9.382 -1.282 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.190 0.284 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.097 -1.086 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.821 -2.619 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.876 -1.356 5.545 1.00 0.00 H new ATOM 928 N ILE A 61 7.323 0.013 4.112 1.00 0.00 N ATOM 929 CA ILE A 61 6.083 0.754 3.957 1.00 0.00 C ATOM 930 C ILE A 61 5.013 0.148 4.867 1.00 0.00 C ATOM 931 O ILE A 61 5.220 -0.914 5.451 1.00 0.00 O ATOM 932 CB ILE A 61 5.675 0.812 2.483 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.704 -0.581 1.851 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.543 1.810 1.713 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.539 -0.765 0.877 1.00 0.00 C ATOM 0 H ILE A 61 7.298 -0.941 3.752 1.00 0.00 H new ATOM 0 HA ILE A 61 6.217 1.790 4.269 1.00 0.00 H new ATOM 0 HB ILE A 61 4.647 1.169 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.648 -0.727 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.653 -1.340 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.233 1.832 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.427 2.803 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.588 1.507 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.583 -1.763 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.596 -0.643 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.607 -0.020 0.084 1.00 0.00 H new ATOM 947 N THR A 62 3.893 0.849 4.959 1.00 0.00 N ATOM 948 CA THR A 62 2.790 0.393 5.788 1.00 0.00 C ATOM 949 C THR A 62 1.454 0.817 5.178 1.00 0.00 C ATOM 950 O THR A 62 1.401 1.743 4.371 1.00 0.00 O ATOM 951 CB THR A 62 3.011 0.930 7.204 1.00 0.00 C ATOM 952 OG1 THR A 62 4.176 0.248 7.657 1.00 0.00 O ATOM 953 CG2 THR A 62 1.916 0.485 8.176 1.00 0.00 C ATOM 0 H THR A 62 3.725 1.730 4.473 1.00 0.00 H new ATOM 0 HA THR A 62 2.756 -0.695 5.839 1.00 0.00 H new ATOM 0 HB THR A 62 3.052 2.019 7.177 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.484 0.649 8.496 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.120 0.893 9.166 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.950 0.848 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.897 -0.604 8.229 1.00 0.00 H new ATOM 961 N ILE A 63 0.404 0.119 5.588 1.00 0.00 N ATOM 962 CA ILE A 63 -0.930 0.412 5.092 1.00 0.00 C ATOM 963 C ILE A 63 -1.939 0.252 6.231 1.00 0.00 C ATOM 964 O ILE A 63 -1.868 -0.705 7.000 1.00 0.00 O ATOM 965 CB ILE A 63 -1.245 -0.448 3.866 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.496 -1.903 4.267 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.143 -0.324 2.812 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.892 -2.357 3.836 1.00 0.00 C ATOM 0 H ILE A 63 0.451 -0.649 6.258 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.993 1.446 4.753 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.165 -0.076 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.743 -2.545 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.392 -2.010 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.391 -0.945 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.057 0.716 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.805 -0.654 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.045 -3.395 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.643 -1.728 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.984 -2.272 2.753 1.00 0.00 H new ATOM 980 N TYR A 64 -2.856 1.206 6.304 1.00 0.00 N ATOM 981 CA TYR A 64 -3.878 1.184 7.336 1.00 0.00 C ATOM 982 C TYR A 64 -5.254 0.882 6.738 1.00 0.00 C ATOM 983 O TYR A 64 -5.444 0.981 5.527 1.00 0.00 O ATOM 984 CB TYR A 64 -3.896 2.589 7.942 1.00 0.00 C ATOM 985 CG TYR A 64 -2.612 2.964 8.684 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.417 3.040 7.998 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.650 3.226 10.038 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.208 3.393 8.696 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.440 3.579 10.737 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.279 3.645 10.031 1.00 0.00 C ATOM 991 OH TYR A 64 0.863 3.978 10.691 1.00 0.00 O ATOM 0 H TYR A 64 -2.912 1.999 5.665 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.661 0.413 8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.069 3.314 7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.737 2.665 8.631 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.389 2.835 6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.586 3.167 10.574 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.734 3.456 8.171 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.455 3.786 11.797 1.00 0.00 H new ATOM 0 HH TYR A 64 1.265 4.768 10.272 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.177 0.518 7.616 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.530 0.200 7.190 1.00 0.00 C ATOM 1003 C ALA A 65 -8.495 0.435 8.354 1.00 0.00 C ATOM 1004 O ALA A 65 -8.286 -0.078 9.452 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.578 -1.240 6.675 1.00 0.00 C ATOM 0 H ALA A 65 -6.015 0.436 8.620 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.837 0.850 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.592 -1.479 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.897 -1.347 5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.279 -1.921 7.471 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.531 1.212 8.074 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.529 1.521 9.084 1.00 0.00 C ATOM 1013 C ASP A 66 -11.922 1.463 8.453 1.00 0.00 C ATOM 1014 O ASP A 66 -12.427 2.471 7.960 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.324 2.928 9.648 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.804 3.125 11.087 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -11.169 4.238 11.494 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -10.795 2.059 11.815 1.00 0.00 O ATOM 0 H ASP A 66 -9.701 1.637 7.162 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.432 0.792 9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.263 3.172 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.845 3.639 9.007 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.504 0.273 8.489 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.828 0.071 7.927 1.00 0.00 C ATOM 1026 C GLY A 67 -14.444 -1.236 8.431 1.00 0.00 C ATOM 1027 O GLY A 67 -14.244 -1.617 9.583 1.00 0.00 O ATOM 0 H GLY A 67 -12.083 -0.561 8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.472 0.908 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.766 0.052 6.839 1.00 0.00 H new ATOM 1031 N SER A 68 -15.181 -1.887 7.542 1.00 0.00 N ATOM 1032 CA SER A 68 -15.827 -3.143 7.883 1.00 0.00 C ATOM 1033 C SER A 68 -14.964 -4.318 7.419 1.00 0.00 C ATOM 1034 O SER A 68 -14.944 -5.369 8.059 1.00 0.00 O ATOM 1035 CB SER A 68 -17.222 -3.231 7.261 1.00 0.00 C ATOM 1036 OG SER A 68 -17.970 -4.326 7.781 1.00 0.00 O ATOM 0 H SER A 68 -15.345 -1.568 6.587 1.00 0.00 H new ATOM 0 HA SER A 68 -15.938 -3.188 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.761 -2.302 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.131 -3.335 6.180 1.00 0.00 H new ATOM 0 HG SER A 68 -18.855 -4.347 7.360 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.272 -4.101 6.311 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.408 -5.129 5.755 1.00 0.00 C ATOM 1044 C ASP A 69 -11.946 -4.725 5.955 1.00 0.00 C ATOM 1045 O ASP A 69 -11.041 -5.372 5.429 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.650 -5.297 4.253 1.00 0.00 C ATOM 1047 CG ASP A 69 -15.015 -5.879 3.879 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -15.911 -5.158 3.415 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.141 -7.146 4.084 1.00 0.00 O ATOM 0 H ASP A 69 -14.292 -3.229 5.783 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.629 -6.067 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.542 -4.325 3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.872 -5.943 3.845 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.760 -3.658 6.718 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.423 -3.161 6.996 1.00 0.00 C ATOM 1057 C GLU A 70 -9.418 -4.314 6.997 1.00 0.00 C ATOM 1058 O GLU A 70 -8.546 -4.383 6.132 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.385 -2.399 8.322 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.527 -2.841 9.240 1.00 0.00 C ATOM 1061 CD GLU A 70 -11.291 -2.366 10.676 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -11.196 -1.154 10.921 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -11.207 -3.308 11.554 1.00 0.00 O ATOM 0 H GLU A 70 -12.513 -3.124 7.152 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.145 -2.463 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.429 -2.570 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.459 -1.328 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.471 -2.440 8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.613 -3.927 9.222 1.00 0.00 H new ATOM 1071 N SER A 71 -9.572 -5.191 7.978 1.00 0.00 N ATOM 1072 CA SER A 71 -8.688 -6.338 8.103 1.00 0.00 C ATOM 1073 C SER A 71 -8.635 -7.104 6.780 1.00 0.00 C ATOM 1074 O SER A 71 -7.559 -7.487 6.324 1.00 0.00 O ATOM 1075 CB SER A 71 -9.142 -7.261 9.235 1.00 0.00 C ATOM 1076 OG SER A 71 -8.307 -7.148 10.385 1.00 0.00 O ATOM 0 H SER A 71 -10.296 -5.131 8.694 1.00 0.00 H new ATOM 0 HA SER A 71 -7.689 -5.976 8.345 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.169 -7.021 9.508 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.138 -8.293 8.885 1.00 0.00 H new ATOM 0 HG SER A 71 -8.183 -6.202 10.608 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.810 -7.306 6.203 1.00 0.00 N ATOM 1083 CA ASP A 72 -9.912 -8.020 4.942 1.00 0.00 C ATOM 1084 C ASP A 72 -9.134 -7.258 3.866 1.00 0.00 C ATOM 1085 O ASP A 72 -8.548 -7.865 2.971 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.367 -8.128 4.485 1.00 0.00 C ATOM 1087 CG ASP A 72 -11.858 -9.553 4.222 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -12.126 -9.934 3.073 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -11.962 -10.297 5.271 1.00 0.00 O ATOM 0 H ASP A 72 -10.700 -6.987 6.586 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.505 -9.021 5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.005 -7.674 5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.490 -7.543 3.573 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.154 -5.939 3.989 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.459 -5.088 3.037 1.00 0.00 C ATOM 1097 C ALA A 73 -6.950 -5.242 3.231 1.00 0.00 C ATOM 1098 O ALA A 73 -6.192 -5.230 2.262 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.925 -3.641 3.212 1.00 0.00 C ATOM 0 H ALA A 73 -9.640 -5.439 4.733 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.692 -5.384 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.404 -3.002 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.999 -3.581 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.704 -3.308 4.226 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.557 -5.385 4.489 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.152 -5.541 4.821 1.00 0.00 C ATOM 1107 C ILE A 74 -4.666 -6.907 4.333 1.00 0.00 C ATOM 1108 O ILE A 74 -3.512 -7.053 3.933 1.00 0.00 O ATOM 1109 CB ILE A 74 -4.925 -5.305 6.316 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -3.931 -4.165 6.546 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.489 -6.595 7.015 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.475 -3.163 7.567 1.00 0.00 C ATOM 0 H ILE A 74 -7.188 -5.396 5.290 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.553 -4.788 4.309 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.872 -5.002 6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.982 -4.570 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.730 -3.657 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.334 -6.399 8.076 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.263 -7.353 6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.559 -6.952 6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.750 -2.362 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.411 -2.742 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.652 -3.670 8.516 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.571 -7.874 4.384 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.249 -9.223 3.952 1.00 0.00 C ATOM 1126 C GLN A 75 -5.085 -9.270 2.431 1.00 0.00 C ATOM 1127 O GLN A 75 -4.328 -10.086 1.910 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.315 -10.218 4.419 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.171 -10.514 5.913 1.00 0.00 C ATOM 1130 CD GLN A 75 -4.728 -10.881 6.263 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -4.321 -12.031 6.203 1.00 0.00 O ATOM 1132 NE2 GLN A 75 -3.979 -9.846 6.631 1.00 0.00 N ATOM 0 H GLN A 75 -6.527 -7.750 4.718 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.303 -9.513 4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.307 -9.814 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.227 -11.144 3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.479 -9.643 6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.836 -11.332 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.382 -8.909 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.001 -9.989 6.885 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.808 -8.383 1.763 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.751 -8.312 0.313 1.00 0.00 C ATOM 1143 C ALA A 76 -4.477 -7.579 -0.109 1.00 0.00 C ATOM 1144 O ALA A 76 -3.838 -7.952 -1.092 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.017 -7.632 -0.215 1.00 0.00 C ATOM 0 H ALA A 76 -6.436 -7.708 2.199 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.713 -9.312 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.975 -7.579 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.892 -8.208 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.087 -6.625 0.195 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.145 -6.549 0.656 1.00 0.00 N ATOM 1152 CA ILE A 77 -2.958 -5.759 0.373 1.00 0.00 C ATOM 1153 C ILE A 77 -1.732 -6.675 0.364 1.00 0.00 C ATOM 1154 O ILE A 77 -1.156 -6.936 -0.690 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.845 -4.591 1.355 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.485 -3.327 0.778 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.390 -4.360 1.767 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.853 -3.066 1.412 1.00 0.00 C ATOM 0 H ILE A 77 -4.677 -6.243 1.471 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.028 -5.308 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.398 -4.849 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.831 -2.472 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.594 -3.431 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.338 -3.524 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.001 -5.258 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.793 -4.132 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.286 -2.162 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.512 -3.912 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.737 -2.938 2.488 1.00 0.00 H new ATOM 1170 N SER A 78 -1.371 -7.138 1.552 1.00 0.00 N ATOM 1171 CA SER A 78 -0.224 -8.019 1.693 1.00 0.00 C ATOM 1172 C SER A 78 -0.192 -9.028 0.543 1.00 0.00 C ATOM 1173 O SER A 78 0.880 -9.418 0.083 1.00 0.00 O ATOM 1174 CB SER A 78 -0.253 -8.749 3.037 1.00 0.00 C ATOM 1175 OG SER A 78 0.950 -8.556 3.776 1.00 0.00 O ATOM 0 H SER A 78 -1.852 -6.920 2.425 1.00 0.00 H new ATOM 0 HA SER A 78 0.680 -7.410 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.100 -8.394 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.407 -9.815 2.867 1.00 0.00 H new ATOM 0 HG SER A 78 0.890 -7.722 4.287 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.381 -9.419 0.109 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.504 -10.374 -0.979 1.00 0.00 C ATOM 1183 C ASP A 79 -1.049 -9.716 -2.283 1.00 0.00 C ATOM 1184 O ASP A 79 -0.260 -10.292 -3.030 1.00 0.00 O ATOM 1185 CB ASP A 79 -2.956 -10.822 -1.158 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.144 -12.080 -2.009 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -4.162 -12.236 -2.702 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.179 -12.933 -1.941 1.00 0.00 O ATOM 0 H ASP A 79 -2.268 -9.092 0.491 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.887 -11.240 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.390 -10.999 -0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.519 -10.007 -1.612 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.566 -8.519 -2.517 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.223 -7.777 -3.719 1.00 0.00 C ATOM 1196 C VAL A 80 0.267 -7.430 -3.690 1.00 0.00 C ATOM 1197 O VAL A 80 0.937 -7.470 -4.720 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.122 -6.545 -3.846 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.735 -5.710 -5.069 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.597 -6.945 -3.899 1.00 0.00 C ATOM 0 H VAL A 80 -2.220 -8.044 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.398 -8.384 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.975 -5.929 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.388 -4.840 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.701 -5.380 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.840 -6.314 -5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.214 -6.051 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.768 -7.592 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.862 -7.478 -2.986 1.00 0.00 H new ATOM 1210 N LEU A 81 0.742 -7.097 -2.498 1.00 0.00 N ATOM 1211 CA LEU A 81 2.141 -6.744 -2.322 1.00 0.00 C ATOM 1212 C LEU A 81 3.014 -7.953 -2.663 1.00 0.00 C ATOM 1213 O LEU A 81 3.942 -7.845 -3.463 1.00 0.00 O ATOM 1214 CB LEU A 81 2.379 -6.190 -0.916 1.00 0.00 C ATOM 1215 CG LEU A 81 1.793 -4.806 -0.631 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.647 -4.570 0.873 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.620 -3.710 -1.306 1.00 0.00 C ATOM 0 H LEU A 81 0.183 -7.064 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 81 2.422 -5.944 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.964 -6.894 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.454 -6.151 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 81 0.792 -4.765 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.228 -3.579 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.983 -5.324 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.625 -4.639 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.181 -2.736 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.642 -3.741 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.627 -3.871 -2.384 1.00 0.00 H new ATOM 1229 N SER A 82 2.685 -9.075 -2.041 1.00 0.00 N ATOM 1230 CA SER A 82 3.428 -10.302 -2.269 1.00 0.00 C ATOM 1231 C SER A 82 3.093 -10.869 -3.650 1.00 0.00 C ATOM 1232 O SER A 82 3.924 -11.527 -4.274 1.00 0.00 O ATOM 1233 CB SER A 82 3.129 -11.338 -1.183 1.00 0.00 C ATOM 1234 OG SER A 82 3.652 -10.950 0.084 1.00 0.00 O ATOM 0 H SER A 82 1.914 -9.160 -1.379 1.00 0.00 H new ATOM 0 HA SER A 82 4.492 -10.069 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.051 -11.478 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.555 -12.299 -1.472 1.00 0.00 H new ATOM 0 HG SER A 82 3.015 -10.356 0.533 1.00 0.00 H new ATOM 1240 N LYS A 83 1.873 -10.591 -4.088 1.00 0.00 N ATOM 1241 CA LYS A 83 1.418 -11.065 -5.383 1.00 0.00 C ATOM 1242 C LYS A 83 2.369 -10.559 -6.470 1.00 0.00 C ATOM 1243 O LYS A 83 2.718 -11.299 -7.388 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.043 -10.671 -5.614 1.00 0.00 C ATOM 1245 CG LYS A 83 -0.992 -11.703 -5.001 1.00 0.00 C ATOM 1246 CD LYS A 83 -1.878 -12.339 -6.074 1.00 0.00 C ATOM 1247 CE LYS A 83 -2.945 -13.235 -5.443 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.590 -14.079 -6.475 1.00 0.00 N ATOM 0 H LYS A 83 1.187 -10.044 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 83 1.441 -12.154 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.233 -9.691 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.235 -10.584 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.415 -12.477 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.616 -11.225 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.357 -11.558 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.264 -12.925 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.492 -13.867 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.696 -12.621 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.312 -14.681 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.039 -13.471 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.873 -14.678 -6.931 1.00 0.00 H new ATOM 1262 N GLU A 84 2.762 -9.301 -6.330 1.00 0.00 N ATOM 1263 CA GLU A 84 3.666 -8.688 -7.288 1.00 0.00 C ATOM 1264 C GLU A 84 5.113 -9.066 -6.969 1.00 0.00 C ATOM 1265 O GLU A 84 5.879 -9.420 -7.865 1.00 0.00 O ATOM 1266 CB GLU A 84 3.489 -7.169 -7.315 1.00 0.00 C ATOM 1267 CG GLU A 84 2.024 -6.783 -7.096 1.00 0.00 C ATOM 1268 CD GLU A 84 1.511 -5.907 -8.240 1.00 0.00 C ATOM 1269 OE1 GLU A 84 2.200 -5.753 -9.260 1.00 0.00 O ATOM 1270 OE2 GLU A 84 0.352 -5.377 -8.044 1.00 0.00 O ATOM 0 H GLU A 84 2.471 -8.690 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 84 3.423 -9.066 -8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.108 -6.713 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.833 -6.776 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.414 -7.683 -7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.922 -6.250 -6.151 1.00 0.00 H new ATOM 1278 N GLY A 85 5.446 -8.980 -5.689 1.00 0.00 N ATOM 1279 CA GLY A 85 6.788 -9.309 -5.240 1.00 0.00 C ATOM 1280 C GLY A 85 7.551 -8.050 -4.825 1.00 0.00 C ATOM 1281 O GLY A 85 8.780 -8.033 -4.834 1.00 0.00 O ATOM 0 H GLY A 85 4.809 -8.687 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.735 -10.000 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.328 -9.819 -6.038 1.00 0.00 H new ATOM 1285 N LEU A 86 6.789 -7.024 -4.470 1.00 0.00 N ATOM 1286 CA LEU A 86 7.379 -5.764 -4.053 1.00 0.00 C ATOM 1287 C LEU A 86 7.911 -5.902 -2.625 1.00 0.00 C ATOM 1288 O LEU A 86 8.723 -5.093 -2.179 1.00 0.00 O ATOM 1289 CB LEU A 86 6.377 -4.620 -4.227 1.00 0.00 C ATOM 1290 CG LEU A 86 5.802 -4.442 -5.634 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.357 -3.943 -5.576 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.691 -3.524 -6.476 1.00 0.00 C ATOM 0 H LEU A 86 5.769 -7.041 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 86 8.229 -5.513 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.550 -4.779 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.863 -3.689 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 86 5.787 -5.416 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.972 -3.825 -6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.744 -4.665 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.324 -2.983 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.261 -3.414 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.759 -2.546 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.688 -3.958 -6.558 1.00 0.00 H new ATOM 1304 N THR A 87 7.432 -6.935 -1.946 1.00 0.00 N ATOM 1305 CA THR A 87 7.849 -7.190 -0.578 1.00 0.00 C ATOM 1306 C THR A 87 8.167 -8.674 -0.386 1.00 0.00 C ATOM 1307 O THR A 87 7.829 -9.501 -1.233 1.00 0.00 O ATOM 1308 CB THR A 87 6.750 -6.678 0.354 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.792 -7.733 0.375 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.986 -5.493 -0.237 1.00 0.00 C ATOM 0 H THR A 87 6.759 -7.605 -2.318 1.00 0.00 H new ATOM 0 HA THR A 87 8.770 -6.659 -0.339 1.00 0.00 H new ATOM 0 HB THR A 87 7.190 -6.387 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.045 -7.485 0.958 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.218 -5.169 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.677 -4.671 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.518 -5.793 -1.174 1.00 0.00 H new ATOM 1318 N LYS A 88 8.812 -8.969 0.734 1.00 0.00 N ATOM 1319 CA LYS A 88 9.179 -10.339 1.048 1.00 0.00 C ATOM 1320 C LYS A 88 9.648 -11.042 -0.227 1.00 0.00 C ATOM 1321 O LYS A 88 10.487 -11.940 -0.173 1.00 0.00 O ATOM 1322 CB LYS A 88 8.026 -11.054 1.756 1.00 0.00 C ATOM 1323 CG LYS A 88 8.058 -10.785 3.262 1.00 0.00 C ATOM 1324 CD LYS A 88 7.316 -11.881 4.029 1.00 0.00 C ATOM 1325 CE LYS A 88 7.574 -11.768 5.534 1.00 0.00 C ATOM 1326 NZ LYS A 88 6.399 -12.241 6.299 1.00 0.00 N ATOM 0 H LYS A 88 9.090 -8.282 1.435 1.00 0.00 H new ATOM 0 HA LYS A 88 10.014 -10.358 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.075 -10.717 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.091 -12.127 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.092 -10.732 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.603 -9.817 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.246 -11.806 3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.638 -12.860 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.451 -12.356 5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.792 -10.732 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.591 -12.157 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.570 -11.663 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.209 -13.236 6.063 1.00 0.00 H new