USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 817 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.075 X(o=-0.075,f=-0.27) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.127 F(o=-2!,f=-0.13) USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= -2.56! (180deg=-4.06!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0.909 USER MOD Single : A 34 HIS : no HE2:sc= -7.7! C(o=-7.7!,f=-11!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -131:sc= -0.571 (180deg=-2.54!) USER MOD Single : A 57 HIS : no HD1:sc= -0.963 K(o=-0.96,f=-4.1!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 63 HIS : no HE2:sc= -11.7! C(o=-12!,f=-13!) USER MOD Single : A 64 CYS SG : rot 53:sc= -7.13! USER MOD Single : A 65 GLN : amide:sc= -2.08! C(o=-2.1!,f=-3.1!) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.519 (180deg=-1.27!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.92! USER MOD Single : A 71 SER OG : rot 31:sc= 0.67 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -5.41! C(o=-5.4!,f=-6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -148:sc= -0.0839 (180deg=-0.567) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 7.641 -0.712 11.343 1.00 0.00 N ATOM 29 CA LEU A 3 7.098 -0.154 10.110 1.00 0.00 C ATOM 30 C LEU A 3 7.570 1.285 9.929 1.00 0.00 C ATOM 31 O LEU A 3 7.323 2.142 10.777 1.00 0.00 O ATOM 32 CB LEU A 3 5.568 -0.195 10.148 1.00 0.00 C ATOM 33 CG LEU A 3 5.067 0.513 11.408 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.630 1.936 11.059 1.00 0.00 C ATOM 35 CD2 LEU A 3 3.878 -0.258 11.985 1.00 0.00 C ATOM 0 HA LEU A 3 7.453 -0.751 9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.159 0.288 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.221 -1.228 10.137 1.00 0.00 H new ATOM 0 HG LEU A 3 5.870 0.552 12.145 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.274 2.438 11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.476 2.486 10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.828 1.900 10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.519 0.245 12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.077 -0.297 11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.189 -1.272 12.237 1.00 0.00 H new ATOM 47 N THR A 4 8.261 1.543 8.823 1.00 0.00 N ATOM 48 CA THR A 4 8.771 2.882 8.549 1.00 0.00 C ATOM 49 C THR A 4 8.130 3.465 7.295 1.00 0.00 C ATOM 50 O THR A 4 7.664 2.732 6.423 1.00 0.00 O ATOM 51 CB THR A 4 10.289 2.835 8.367 1.00 0.00 C ATOM 52 OG1 THR A 4 10.868 2.069 9.415 1.00 0.00 O ATOM 53 CG2 THR A 4 10.852 4.257 8.399 1.00 0.00 C ATOM 0 H THR A 4 8.479 0.849 8.108 1.00 0.00 H new ATOM 0 HA THR A 4 8.521 3.519 9.397 1.00 0.00 H new ATOM 0 HB THR A 4 10.526 2.374 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.840 2.037 9.298 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.934 4.223 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.408 4.842 7.594 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.616 4.720 9.357 1.00 0.00 H new ATOM 61 N THR A 5 8.119 4.793 7.212 1.00 0.00 N ATOM 62 CA THR A 5 7.542 5.475 6.059 1.00 0.00 C ATOM 63 C THR A 5 8.575 5.590 4.943 1.00 0.00 C ATOM 64 O THR A 5 9.776 5.677 5.206 1.00 0.00 O ATOM 65 CB THR A 5 7.065 6.872 6.463 1.00 0.00 C ATOM 66 OG1 THR A 5 8.108 7.546 7.154 1.00 0.00 O ATOM 67 CG2 THR A 5 5.841 6.753 7.374 1.00 0.00 C ATOM 0 H THR A 5 8.501 5.414 7.925 1.00 0.00 H new ATOM 0 HA THR A 5 6.693 4.894 5.699 1.00 0.00 H new ATOM 0 HB THR A 5 6.796 7.436 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.804 8.441 7.412 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.503 7.749 7.661 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.041 6.237 6.843 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.106 6.189 8.268 1.00 0.00 H new ATOM 75 N ILE A 6 8.109 5.586 3.700 1.00 0.00 N ATOM 76 CA ILE A 6 9.013 5.689 2.562 1.00 0.00 C ATOM 77 C ILE A 6 8.435 6.607 1.493 1.00 0.00 C ATOM 78 O ILE A 6 7.243 6.915 1.497 1.00 0.00 O ATOM 79 CB ILE A 6 9.283 4.287 1.979 1.00 0.00 C ATOM 80 CG1 ILE A 6 10.772 3.964 2.111 1.00 0.00 C ATOM 81 CG2 ILE A 6 8.886 4.222 0.499 1.00 0.00 C ATOM 82 CD1 ILE A 6 10.983 2.455 1.972 1.00 0.00 C ATOM 0 H ILE A 6 7.121 5.513 3.456 1.00 0.00 H new ATOM 0 HA ILE A 6 9.955 6.119 2.903 1.00 0.00 H new ATOM 0 HB ILE A 6 8.686 3.562 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.339 4.493 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.145 4.306 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.086 3.223 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.824 4.444 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.465 4.953 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.044 2.226 2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.429 1.937 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.626 2.126 0.996 1.00 0.00 H new ATOM 94 N SER A 7 9.293 7.031 0.576 1.00 0.00 N ATOM 95 CA SER A 7 8.869 7.907 -0.508 1.00 0.00 C ATOM 96 C SER A 7 8.735 7.108 -1.803 1.00 0.00 C ATOM 97 O SER A 7 9.560 6.241 -2.091 1.00 0.00 O ATOM 98 CB SER A 7 9.888 9.030 -0.702 1.00 0.00 C ATOM 99 OG SER A 7 9.209 10.279 -0.748 1.00 0.00 O ATOM 0 H SER A 7 10.283 6.784 0.560 1.00 0.00 H new ATOM 0 HA SER A 7 7.902 8.340 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.611 9.026 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.448 8.873 -1.624 1.00 0.00 H new ATOM 0 HG SER A 7 9.860 11.001 -0.871 1.00 0.00 H new ATOM 105 N PRO A 8 7.722 7.378 -2.584 1.00 0.00 N ATOM 106 CA PRO A 8 7.490 6.666 -3.869 1.00 0.00 C ATOM 107 C PRO A 8 8.794 6.402 -4.617 1.00 0.00 C ATOM 108 O PRO A 8 8.845 5.573 -5.526 1.00 0.00 O ATOM 109 CB PRO A 8 6.593 7.628 -4.645 1.00 0.00 C ATOM 110 CG PRO A 8 5.827 8.379 -3.603 1.00 0.00 C ATOM 111 CD PRO A 8 6.685 8.394 -2.333 1.00 0.00 C ATOM 0 HA PRO A 8 7.045 5.681 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.183 8.304 -5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.922 7.088 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.617 9.395 -3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.866 7.901 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.124 9.377 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.094 8.150 -1.450 1.00 0.00 H new ATOM 119 N HIS A 9 9.843 7.116 -4.226 1.00 0.00 N ATOM 120 CA HIS A 9 11.146 6.960 -4.861 1.00 0.00 C ATOM 121 C HIS A 9 11.857 5.710 -4.348 1.00 0.00 C ATOM 122 O HIS A 9 12.563 5.038 -5.100 1.00 0.00 O ATOM 123 CB HIS A 9 12.012 8.189 -4.583 1.00 0.00 C ATOM 124 CG HIS A 9 13.171 8.212 -5.541 1.00 0.00 C ATOM 125 ND1 HIS A 9 13.000 8.093 -6.911 1.00 0.00 N ATOM 126 CD2 HIS A 9 14.524 8.341 -5.341 1.00 0.00 C ATOM 127 CE1 HIS A 9 14.219 8.151 -7.478 1.00 0.00 C ATOM 128 NE2 HIS A 9 15.183 8.302 -6.567 1.00 0.00 N ATOM 0 H HIS A 9 9.817 7.806 -3.475 1.00 0.00 H new ATOM 0 HA HIS A 9 10.990 6.856 -5.935 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.419 9.097 -4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.376 8.166 -3.556 1.00 0.00 H new ATOM 0 HD2 HIS A 9 15.003 8.455 -4.380 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.396 8.084 -8.541 1.00 0.00 H new ATOM 0 HE2 HIS A 9 16.187 8.373 -6.733 1.00 0.00 H new ATOM 136 N ASP A 10 11.666 5.400 -3.068 1.00 0.00 N ATOM 137 CA ASP A 10 12.300 4.226 -2.482 1.00 0.00 C ATOM 138 C ASP A 10 11.579 2.961 -2.934 1.00 0.00 C ATOM 139 O ASP A 10 12.207 2.008 -3.395 1.00 0.00 O ATOM 140 CB ASP A 10 12.269 4.321 -0.955 1.00 0.00 C ATOM 141 CG ASP A 10 13.691 4.348 -0.403 1.00 0.00 C ATOM 142 OD1 ASP A 10 14.443 3.438 -0.711 1.00 0.00 O ATOM 143 OD2 ASP A 10 14.006 5.278 0.321 1.00 0.00 O ATOM 0 H ASP A 10 11.085 5.938 -2.425 1.00 0.00 H new ATOM 0 HA ASP A 10 13.337 4.184 -2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.735 5.221 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.726 3.472 -0.541 1.00 0.00 H new ATOM 148 N ALA A 11 10.257 2.966 -2.803 1.00 0.00 N ATOM 149 CA ALA A 11 9.457 1.818 -3.209 1.00 0.00 C ATOM 150 C ALA A 11 9.817 1.397 -4.629 1.00 0.00 C ATOM 151 O ALA A 11 9.960 0.210 -4.921 1.00 0.00 O ATOM 152 CB ALA A 11 7.970 2.169 -3.140 1.00 0.00 C ATOM 0 H ALA A 11 9.721 3.746 -2.422 1.00 0.00 H new ATOM 0 HA ALA A 11 9.666 0.991 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.378 1.306 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.709 2.446 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.762 3.006 -3.807 1.00 0.00 H new ATOM 158 N GLN A 12 9.966 2.383 -5.509 1.00 0.00 N ATOM 159 CA GLN A 12 10.315 2.110 -6.898 1.00 0.00 C ATOM 160 C GLN A 12 11.532 1.196 -6.972 1.00 0.00 C ATOM 161 O GLN A 12 11.521 0.183 -7.671 1.00 0.00 O ATOM 162 CB GLN A 12 10.620 3.422 -7.624 1.00 0.00 C ATOM 163 CG GLN A 12 10.153 3.329 -9.077 1.00 0.00 C ATOM 164 CD GLN A 12 10.855 4.390 -9.917 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.749 5.163 -9.363 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 10.583 4.520 -11.111 1.00 0.00 N flip ATOM 0 H GLN A 12 9.851 3.372 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 12 9.470 1.615 -7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.119 4.251 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.690 3.628 -7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.368 2.337 -9.474 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.073 3.466 -9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.884 3.916 -11.544 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.056 5.232 -11.667 1.00 0.00 H new ATOM 175 N GLU A 13 12.583 1.563 -6.244 1.00 0.00 N ATOM 176 CA GLU A 13 13.806 0.769 -6.233 1.00 0.00 C ATOM 177 C GLU A 13 13.502 -0.673 -5.838 1.00 0.00 C ATOM 178 O GLU A 13 14.178 -1.603 -6.276 1.00 0.00 O ATOM 179 CB GLU A 13 14.810 1.369 -5.247 1.00 0.00 C ATOM 180 CG GLU A 13 14.694 2.895 -5.266 1.00 0.00 C ATOM 181 CD GLU A 13 15.925 3.519 -4.618 1.00 0.00 C ATOM 182 OE1 GLU A 13 16.035 3.445 -3.406 1.00 0.00 O ATOM 183 OE2 GLU A 13 16.739 4.065 -5.346 1.00 0.00 O ATOM 0 H GLU A 13 12.612 2.398 -5.659 1.00 0.00 H new ATOM 0 HA GLU A 13 14.233 0.778 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.619 0.992 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.823 1.067 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.595 3.248 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.795 3.206 -4.734 1.00 0.00 H new ATOM 190 N LEU A 14 12.479 -0.850 -5.008 1.00 0.00 N ATOM 191 CA LEU A 14 12.094 -2.182 -4.562 1.00 0.00 C ATOM 192 C LEU A 14 11.367 -2.926 -5.672 1.00 0.00 C ATOM 193 O LEU A 14 11.631 -4.103 -5.921 1.00 0.00 O ATOM 194 CB LEU A 14 11.193 -2.080 -3.335 1.00 0.00 C ATOM 195 CG LEU A 14 11.807 -1.092 -2.346 1.00 0.00 C ATOM 196 CD1 LEU A 14 11.151 -1.264 -0.976 1.00 0.00 C ATOM 197 CD2 LEU A 14 13.309 -1.357 -2.230 1.00 0.00 C ATOM 0 H LEU A 14 11.906 -0.094 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 14 12.997 -2.735 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.196 -1.750 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.081 -3.059 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 14 11.643 -0.074 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.590 -0.558 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.081 -1.075 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.314 -2.281 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.749 -0.653 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.473 -2.375 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.777 -1.233 -3.207 1.00 0.00 H new ATOM 209 N ILE A 15 10.455 -2.232 -6.344 1.00 0.00 N ATOM 210 CA ILE A 15 9.709 -2.844 -7.433 1.00 0.00 C ATOM 211 C ILE A 15 10.670 -3.560 -8.370 1.00 0.00 C ATOM 212 O ILE A 15 10.284 -4.474 -9.099 1.00 0.00 O ATOM 213 CB ILE A 15 8.945 -1.774 -8.211 1.00 0.00 C ATOM 214 CG1 ILE A 15 7.775 -1.264 -7.368 1.00 0.00 C ATOM 215 CG2 ILE A 15 8.411 -2.373 -9.512 1.00 0.00 C ATOM 216 CD1 ILE A 15 7.062 -0.136 -8.116 1.00 0.00 C ATOM 0 H ILE A 15 10.218 -1.258 -6.156 1.00 0.00 H new ATOM 0 HA ILE A 15 9.000 -3.560 -7.018 1.00 0.00 H new ATOM 0 HB ILE A 15 9.615 -0.946 -8.439 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.078 -2.077 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.136 -0.905 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.866 -1.610 -10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.244 -2.735 -10.115 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.742 -3.202 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.228 0.228 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.762 0.680 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.687 -0.511 -9.068 1.00 0.00 H new ATOM 228 N ALA A 16 11.927 -3.134 -8.336 1.00 0.00 N ATOM 229 CA ALA A 16 12.951 -3.737 -9.179 1.00 0.00 C ATOM 230 C ALA A 16 13.457 -5.029 -8.548 1.00 0.00 C ATOM 231 O ALA A 16 13.921 -5.933 -9.244 1.00 0.00 O ATOM 232 CB ALA A 16 14.117 -2.765 -9.368 1.00 0.00 C ATOM 0 H ALA A 16 12.260 -2.378 -7.738 1.00 0.00 H new ATOM 0 HA ALA A 16 12.513 -3.963 -10.151 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.876 -3.226 -10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.756 -1.852 -9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.550 -2.523 -8.397 1.00 0.00 H new ATOM 238 N ARG A 17 13.359 -5.108 -7.225 1.00 0.00 N ATOM 239 CA ARG A 17 13.803 -6.293 -6.504 1.00 0.00 C ATOM 240 C ARG A 17 12.695 -7.342 -6.468 1.00 0.00 C ATOM 241 O ARG A 17 12.956 -8.540 -6.579 1.00 0.00 O ATOM 242 CB ARG A 17 14.198 -5.918 -5.075 1.00 0.00 C ATOM 243 CG ARG A 17 15.588 -5.275 -5.080 1.00 0.00 C ATOM 244 CD ARG A 17 15.964 -4.863 -3.656 1.00 0.00 C ATOM 245 NE ARG A 17 17.314 -5.314 -3.339 1.00 0.00 N ATOM 246 CZ ARG A 17 17.725 -5.425 -2.080 1.00 0.00 C ATOM 247 NH1 ARG A 17 16.916 -5.123 -1.101 1.00 0.00 N ATOM 248 NH2 ARG A 17 18.937 -5.834 -1.821 1.00 0.00 N ATOM 0 H ARG A 17 12.978 -4.369 -6.634 1.00 0.00 H new ATOM 0 HA ARG A 17 14.667 -6.709 -7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.468 -5.227 -4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.199 -6.805 -4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.324 -5.977 -5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.595 -4.404 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.902 -3.779 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.255 -5.290 -2.947 1.00 0.00 H new ATOM 0 HE ARG A 17 17.955 -5.549 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.969 -4.802 -1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.231 -5.208 -0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.570 -6.069 -2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.251 -5.919 -0.854 1.00 0.00 H new ATOM 262 N GLY A 18 11.458 -6.881 -6.314 1.00 0.00 N ATOM 263 CA GLY A 18 10.317 -7.788 -6.264 1.00 0.00 C ATOM 264 C GLY A 18 9.508 -7.579 -4.989 1.00 0.00 C ATOM 265 O GLY A 18 8.900 -8.514 -4.469 1.00 0.00 O ATOM 0 H GLY A 18 11.221 -5.893 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.680 -7.625 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.666 -8.820 -6.313 1.00 0.00 H new ATOM 269 N ALA A 19 9.506 -6.347 -4.491 1.00 0.00 N ATOM 270 CA ALA A 19 8.768 -6.025 -3.274 1.00 0.00 C ATOM 271 C ALA A 19 7.292 -6.373 -3.436 1.00 0.00 C ATOM 272 O ALA A 19 6.854 -6.776 -4.514 1.00 0.00 O ATOM 273 CB ALA A 19 8.913 -4.537 -2.956 1.00 0.00 C ATOM 0 H ALA A 19 10.003 -5.560 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 19 9.179 -6.613 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.360 -4.304 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.966 -4.297 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.517 -3.948 -3.783 1.00 0.00 H new ATOM 279 N LYS A 20 6.529 -6.216 -2.359 1.00 0.00 N ATOM 280 CA LYS A 20 5.103 -6.519 -2.399 1.00 0.00 C ATOM 281 C LYS A 20 4.282 -5.267 -2.099 1.00 0.00 C ATOM 282 O LYS A 20 4.081 -4.909 -0.939 1.00 0.00 O ATOM 283 CB LYS A 20 4.767 -7.607 -1.368 1.00 0.00 C ATOM 284 CG LYS A 20 4.674 -8.982 -2.042 1.00 0.00 C ATOM 285 CD LYS A 20 3.754 -9.883 -1.219 1.00 0.00 C ATOM 286 CE LYS A 20 3.408 -11.139 -2.022 1.00 0.00 C ATOM 287 NZ LYS A 20 3.939 -12.339 -1.319 1.00 0.00 N ATOM 0 H LYS A 20 6.870 -5.884 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 20 4.856 -6.876 -3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.532 -7.628 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.822 -7.372 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.289 -8.878 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.665 -9.429 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.242 -10.160 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.843 -9.345 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.328 -11.222 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.834 -11.073 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.426 -13.185 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.951 -12.446 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.811 -12.225 -0.293 1.00 0.00 H new ATOM 301 N LEU A 21 3.803 -4.614 -3.152 1.00 0.00 N ATOM 302 CA LEU A 21 2.995 -3.409 -2.989 1.00 0.00 C ATOM 303 C LEU A 21 1.523 -3.781 -2.873 1.00 0.00 C ATOM 304 O LEU A 21 0.987 -4.494 -3.721 1.00 0.00 O ATOM 305 CB LEU A 21 3.196 -2.474 -4.182 1.00 0.00 C ATOM 306 CG LEU A 21 4.612 -1.898 -4.148 1.00 0.00 C ATOM 307 CD1 LEU A 21 5.522 -2.726 -5.056 1.00 0.00 C ATOM 308 CD2 LEU A 21 4.586 -0.449 -4.638 1.00 0.00 C ATOM 0 H LEU A 21 3.958 -4.895 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 21 3.309 -2.898 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.035 -3.017 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.463 -1.667 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 21 4.992 -1.930 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.531 -2.315 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.542 -3.759 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.142 -2.695 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.595 -0.039 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.206 -0.417 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.938 0.142 -3.991 1.00 0.00 H new ATOM 320 N ILE A 22 0.874 -3.306 -1.817 1.00 0.00 N ATOM 321 CA ILE A 22 -0.535 -3.613 -1.609 1.00 0.00 C ATOM 322 C ILE A 22 -1.336 -2.359 -1.292 1.00 0.00 C ATOM 323 O ILE A 22 -0.884 -1.490 -0.547 1.00 0.00 O ATOM 324 CB ILE A 22 -0.694 -4.598 -0.453 1.00 0.00 C ATOM 325 CG1 ILE A 22 0.424 -5.641 -0.500 1.00 0.00 C ATOM 326 CG2 ILE A 22 -2.049 -5.299 -0.564 1.00 0.00 C ATOM 327 CD1 ILE A 22 0.347 -6.518 0.750 1.00 0.00 C ATOM 0 H ILE A 22 1.294 -2.714 -1.100 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.913 -4.051 -2.533 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.638 -4.055 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.328 -6.255 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.395 -5.149 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.163 -6.002 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.847 -4.557 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.104 -5.837 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.142 -7.263 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.464 -5.897 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.620 -7.020 0.783 1.00 0.00 H new ATOM 339 N ASP A 23 -2.542 -2.289 -1.842 1.00 0.00 N ATOM 340 CA ASP A 23 -3.420 -1.156 -1.592 1.00 0.00 C ATOM 341 C ASP A 23 -4.442 -1.538 -0.528 1.00 0.00 C ATOM 342 O ASP A 23 -4.832 -2.700 -0.425 1.00 0.00 O ATOM 343 CB ASP A 23 -4.141 -0.748 -2.876 1.00 0.00 C ATOM 344 CG ASP A 23 -4.959 0.516 -2.635 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.912 1.025 -1.528 1.00 0.00 O ATOM 346 OD2 ASP A 23 -5.618 0.957 -3.562 1.00 0.00 O ATOM 0 H ASP A 23 -2.932 -3.000 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.824 -0.312 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.416 -0.576 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.793 -1.555 -3.209 1.00 0.00 H new ATOM 351 N ILE A 24 -4.874 -0.562 0.259 1.00 0.00 N ATOM 352 CA ILE A 24 -5.851 -0.832 1.304 1.00 0.00 C ATOM 353 C ILE A 24 -6.711 0.404 1.568 1.00 0.00 C ATOM 354 O ILE A 24 -6.378 1.262 2.383 1.00 0.00 O ATOM 355 CB ILE A 24 -5.154 -1.322 2.588 1.00 0.00 C ATOM 356 CG1 ILE A 24 -4.363 -0.196 3.273 1.00 0.00 C ATOM 357 CG2 ILE A 24 -4.189 -2.456 2.237 1.00 0.00 C ATOM 358 CD1 ILE A 24 -3.608 0.637 2.234 1.00 0.00 C ATOM 0 H ILE A 24 -4.569 0.409 0.196 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.512 -1.629 0.964 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.926 -1.667 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.043 0.443 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.659 -0.621 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.694 -2.806 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.743 -3.279 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.441 -2.092 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.053 1.430 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.914 -0.003 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.319 1.078 1.535 1.00 0.00 H new ATOM 370 N ARG A 25 -7.823 0.480 0.851 1.00 0.00 N ATOM 371 CA ARG A 25 -8.745 1.602 0.979 1.00 0.00 C ATOM 372 C ARG A 25 -10.049 1.295 0.248 1.00 0.00 C ATOM 373 O ARG A 25 -10.510 0.154 0.238 1.00 0.00 O ATOM 374 CB ARG A 25 -8.106 2.863 0.395 1.00 0.00 C ATOM 375 CG ARG A 25 -7.830 2.656 -1.096 1.00 0.00 C ATOM 376 CD ARG A 25 -7.236 3.935 -1.686 1.00 0.00 C ATOM 377 NE ARG A 25 -6.268 3.610 -2.726 1.00 0.00 N ATOM 378 CZ ARG A 25 -4.981 3.442 -2.436 1.00 0.00 C ATOM 379 NH1 ARG A 25 -4.570 3.564 -1.204 1.00 0.00 N ATOM 380 NH2 ARG A 25 -4.130 3.156 -3.384 1.00 0.00 N ATOM 0 H ARG A 25 -8.110 -0.225 0.172 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.963 1.765 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.768 3.717 0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.177 3.088 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.141 1.823 -1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.753 2.398 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.031 4.556 -2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.754 4.517 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.582 3.510 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.235 3.788 -0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.583 3.435 -0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.452 3.061 -4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.143 3.027 -3.161 1.00 0.00 H new ATOM 394 N ASP A 26 -10.636 2.314 -0.370 1.00 0.00 N ATOM 395 CA ASP A 26 -11.882 2.129 -1.105 1.00 0.00 C ATOM 396 C ASP A 26 -11.595 1.940 -2.590 1.00 0.00 C ATOM 397 O ASP A 26 -11.230 2.887 -3.286 1.00 0.00 O ATOM 398 CB ASP A 26 -12.794 3.342 -0.909 1.00 0.00 C ATOM 399 CG ASP A 26 -12.472 4.024 0.416 1.00 0.00 C ATOM 400 OD1 ASP A 26 -11.611 4.889 0.421 1.00 0.00 O ATOM 401 OD2 ASP A 26 -13.095 3.675 1.405 1.00 0.00 O ATOM 0 H ASP A 26 -10.274 3.267 -0.377 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.382 1.239 -0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.661 4.045 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.838 3.029 -0.923 1.00 0.00 H new ATOM 406 N ALA A 27 -11.758 0.712 -3.070 1.00 0.00 N ATOM 407 CA ALA A 27 -11.509 0.419 -4.477 1.00 0.00 C ATOM 408 C ALA A 27 -12.042 1.542 -5.357 1.00 0.00 C ATOM 409 O ALA A 27 -11.544 1.767 -6.459 1.00 0.00 O ATOM 410 CB ALA A 27 -12.174 -0.902 -4.866 1.00 0.00 C ATOM 0 H ALA A 27 -12.058 -0.088 -2.513 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.433 0.335 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.981 -1.110 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.766 -1.708 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.249 -0.831 -4.701 1.00 0.00 H new ATOM 416 N ASP A 28 -13.052 2.251 -4.862 1.00 0.00 N ATOM 417 CA ASP A 28 -13.635 3.354 -5.616 1.00 0.00 C ATOM 418 C ASP A 28 -12.563 4.384 -5.950 1.00 0.00 C ATOM 419 O ASP A 28 -12.556 4.962 -7.037 1.00 0.00 O ATOM 420 CB ASP A 28 -14.747 4.016 -4.800 1.00 0.00 C ATOM 421 CG ASP A 28 -15.390 5.138 -5.609 1.00 0.00 C ATOM 422 OD1 ASP A 28 -14.707 5.706 -6.445 1.00 0.00 O ATOM 423 OD2 ASP A 28 -16.556 5.414 -5.379 1.00 0.00 O ATOM 0 H ASP A 28 -13.480 2.084 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.055 2.962 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.499 3.276 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.340 4.414 -3.871 1.00 0.00 H new ATOM 428 N GLU A 29 -11.656 4.605 -5.004 1.00 0.00 N ATOM 429 CA GLU A 29 -10.574 5.562 -5.199 1.00 0.00 C ATOM 430 C GLU A 29 -9.451 4.933 -6.019 1.00 0.00 C ATOM 431 O GLU A 29 -8.763 5.617 -6.777 1.00 0.00 O ATOM 432 CB GLU A 29 -10.025 6.009 -3.840 1.00 0.00 C ATOM 433 CG GLU A 29 -10.973 7.030 -3.202 1.00 0.00 C ATOM 434 CD GLU A 29 -10.185 7.995 -2.324 1.00 0.00 C ATOM 435 OE1 GLU A 29 -9.936 7.655 -1.179 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.841 9.060 -2.809 1.00 0.00 O ATOM 0 H GLU A 29 -11.649 4.136 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.965 6.426 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.911 5.147 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.035 6.448 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.503 7.582 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.727 6.516 -2.606 1.00 0.00 H new ATOM 443 N TYR A 30 -9.272 3.626 -5.856 1.00 0.00 N ATOM 444 CA TYR A 30 -8.227 2.908 -6.579 1.00 0.00 C ATOM 445 C TYR A 30 -8.660 2.622 -8.014 1.00 0.00 C ATOM 446 O TYR A 30 -7.832 2.586 -8.925 1.00 0.00 O ATOM 447 CB TYR A 30 -7.918 1.591 -5.863 1.00 0.00 C ATOM 448 CG TYR A 30 -6.564 1.079 -6.293 1.00 0.00 C ATOM 449 CD1 TYR A 30 -5.419 1.860 -6.087 1.00 0.00 C ATOM 450 CD2 TYR A 30 -6.453 -0.181 -6.893 1.00 0.00 C ATOM 451 CE1 TYR A 30 -4.165 1.380 -6.483 1.00 0.00 C ATOM 452 CE2 TYR A 30 -5.199 -0.660 -7.288 1.00 0.00 C ATOM 453 CZ TYR A 30 -4.054 0.120 -7.084 1.00 0.00 C ATOM 454 OH TYR A 30 -2.818 -0.353 -7.473 1.00 0.00 O ATOM 0 H TYR A 30 -9.833 3.045 -5.233 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.333 3.531 -6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.934 1.741 -4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.686 0.853 -6.093 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.504 2.832 -5.623 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.335 -0.783 -7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.282 1.982 -6.325 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.114 -1.632 -7.751 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.919 -1.243 -7.872 1.00 0.00 H new ATOM 464 N LEU A 31 -9.960 2.421 -8.212 1.00 0.00 N ATOM 465 CA LEU A 31 -10.482 2.142 -9.545 1.00 0.00 C ATOM 466 C LEU A 31 -10.174 3.301 -10.487 1.00 0.00 C ATOM 467 O LEU A 31 -9.562 3.113 -11.538 1.00 0.00 O ATOM 468 CB LEU A 31 -11.996 1.917 -9.484 1.00 0.00 C ATOM 469 CG LEU A 31 -12.462 1.239 -10.775 1.00 0.00 C ATOM 470 CD1 LEU A 31 -12.277 -0.274 -10.652 1.00 0.00 C ATOM 471 CD2 LEU A 31 -13.941 1.552 -11.009 1.00 0.00 C ATOM 0 H LEU A 31 -10.664 2.446 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.001 1.239 -9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.248 1.297 -8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.511 2.869 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.873 1.611 -11.613 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.609 -0.757 -11.571 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.224 -0.499 -10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.866 -0.646 -9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.274 1.070 -11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.529 1.179 -10.170 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.075 2.630 -11.096 1.00 0.00 H new ATOM 483 N ARG A 32 -10.599 4.498 -10.099 1.00 0.00 N ATOM 484 CA ARG A 32 -10.359 5.682 -10.915 1.00 0.00 C ATOM 485 C ARG A 32 -8.870 5.829 -11.209 1.00 0.00 C ATOM 486 O ARG A 32 -8.476 6.510 -12.155 1.00 0.00 O ATOM 487 CB ARG A 32 -10.863 6.929 -10.186 1.00 0.00 C ATOM 488 CG ARG A 32 -12.391 6.966 -10.232 1.00 0.00 C ATOM 489 CD ARG A 32 -12.875 8.389 -9.956 1.00 0.00 C ATOM 490 NE ARG A 32 -13.285 9.031 -11.199 1.00 0.00 N ATOM 491 CZ ARG A 32 -13.660 10.306 -11.223 1.00 0.00 C ATOM 492 NH1 ARG A 32 -13.658 11.008 -10.123 1.00 0.00 N ATOM 493 NH2 ARG A 32 -14.028 10.856 -12.347 1.00 0.00 N ATOM 0 H ARG A 32 -11.107 4.674 -9.232 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.897 5.571 -11.856 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.520 6.922 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.453 7.825 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.744 6.633 -11.208 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.804 6.280 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.711 8.367 -9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.080 8.967 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.284 8.492 -12.065 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.369 10.578 -9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.946 11.986 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.028 10.308 -13.207 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.316 11.834 -12.366 1.00 0.00 H new ATOM 507 N GLU A 33 -8.049 5.179 -10.390 1.00 0.00 N ATOM 508 CA GLU A 33 -6.602 5.235 -10.563 1.00 0.00 C ATOM 509 C GLU A 33 -5.934 4.109 -9.783 1.00 0.00 C ATOM 510 O GLU A 33 -6.076 4.019 -8.564 1.00 0.00 O ATOM 511 CB GLU A 33 -6.068 6.585 -10.077 1.00 0.00 C ATOM 512 CG GLU A 33 -4.695 6.846 -10.699 1.00 0.00 C ATOM 513 CD GLU A 33 -4.078 8.103 -10.096 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.634 9.169 -10.301 1.00 0.00 O ATOM 515 OE2 GLU A 33 -3.058 7.981 -9.436 1.00 0.00 O ATOM 0 H GLU A 33 -8.360 4.609 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.373 5.118 -11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.760 7.381 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.993 6.588 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.041 5.992 -10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.792 6.961 -11.779 1.00 0.00 H new ATOM 522 N HIS A 34 -5.204 3.251 -10.489 1.00 0.00 N ATOM 523 CA HIS A 34 -4.523 2.138 -9.841 1.00 0.00 C ATOM 524 C HIS A 34 -3.122 1.960 -10.414 1.00 0.00 C ATOM 525 O HIS A 34 -2.820 2.446 -11.504 1.00 0.00 O ATOM 526 CB HIS A 34 -5.326 0.847 -10.027 1.00 0.00 C ATOM 527 CG HIS A 34 -5.546 0.595 -11.493 1.00 0.00 C ATOM 528 ND1 HIS A 34 -4.753 -0.281 -12.218 1.00 0.00 N ATOM 529 CD2 HIS A 34 -6.465 1.092 -12.383 1.00 0.00 C ATOM 530 CE1 HIS A 34 -5.206 -0.284 -13.485 1.00 0.00 C ATOM 531 NE2 HIS A 34 -6.249 0.536 -13.640 1.00 0.00 N ATOM 0 H HIS A 34 -5.070 3.304 -11.499 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.441 2.359 -8.777 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.793 0.008 -9.580 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.284 0.926 -9.514 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.969 -0.824 -11.857 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.239 1.807 -12.144 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.778 -0.877 -14.280 1.00 0.00 H new ATOM 539 N ILE A 35 -2.267 1.266 -9.670 1.00 0.00 N ATOM 540 CA ILE A 35 -0.897 1.036 -10.112 1.00 0.00 C ATOM 541 C ILE A 35 -0.761 -0.355 -10.738 1.00 0.00 C ATOM 542 O ILE A 35 -1.151 -1.352 -10.131 1.00 0.00 O ATOM 543 CB ILE A 35 0.056 1.157 -8.923 1.00 0.00 C ATOM 544 CG1 ILE A 35 -0.275 2.427 -8.133 1.00 0.00 C ATOM 545 CG2 ILE A 35 1.497 1.234 -9.429 1.00 0.00 C ATOM 546 CD1 ILE A 35 0.693 2.566 -6.958 1.00 0.00 C ATOM 0 H ILE A 35 -2.496 0.856 -8.765 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.643 1.785 -10.862 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.056 0.286 -8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.203 3.300 -8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.301 2.384 -7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.176 1.320 -8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.733 0.332 -9.993 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.610 2.105 -10.074 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.456 3.470 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.599 1.698 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.714 2.629 -7.333 1.00 0.00 H new ATOM 558 N PRO A 36 -0.218 -0.445 -11.928 1.00 0.00 N ATOM 559 CA PRO A 36 -0.035 -1.748 -12.628 1.00 0.00 C ATOM 560 C PRO A 36 1.156 -2.524 -12.082 1.00 0.00 C ATOM 561 O PRO A 36 1.706 -3.401 -12.749 1.00 0.00 O ATOM 562 CB PRO A 36 0.197 -1.341 -14.079 1.00 0.00 C ATOM 563 CG PRO A 36 0.822 0.012 -14.008 1.00 0.00 C ATOM 564 CD PRO A 36 0.280 0.679 -12.741 1.00 0.00 C ATOM 0 HA PRO A 36 -0.889 -2.413 -12.498 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.850 -2.050 -14.588 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.740 -1.314 -14.635 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.909 -0.065 -13.971 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.574 0.600 -14.892 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.059 1.235 -12.219 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.516 1.387 -12.972 1.00 0.00 H new ATOM 572 N GLU A 37 1.544 -2.186 -10.865 1.00 0.00 N ATOM 573 CA GLU A 37 2.672 -2.843 -10.215 1.00 0.00 C ATOM 574 C GLU A 37 2.394 -3.036 -8.729 1.00 0.00 C ATOM 575 O GLU A 37 3.318 -3.101 -7.918 1.00 0.00 O ATOM 576 CB GLU A 37 3.937 -2.001 -10.390 1.00 0.00 C ATOM 577 CG GLU A 37 4.116 -1.649 -11.868 1.00 0.00 C ATOM 578 CD GLU A 37 5.518 -1.098 -12.105 1.00 0.00 C ATOM 579 OE1 GLU A 37 6.406 -1.889 -12.377 1.00 0.00 O ATOM 580 OE2 GLU A 37 5.683 0.107 -12.013 1.00 0.00 O ATOM 0 H GLU A 37 1.097 -1.461 -10.304 1.00 0.00 H new ATOM 0 HA GLU A 37 2.816 -3.819 -10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.866 -1.091 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.806 -2.551 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.955 -2.534 -12.484 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.371 -0.912 -12.168 1.00 0.00 H new ATOM 587 N ALA A 38 1.116 -3.122 -8.378 1.00 0.00 N ATOM 588 CA ALA A 38 0.729 -3.304 -6.985 1.00 0.00 C ATOM 589 C ALA A 38 -0.552 -4.123 -6.882 1.00 0.00 C ATOM 590 O ALA A 38 -1.397 -4.088 -7.778 1.00 0.00 O ATOM 591 CB ALA A 38 0.518 -1.941 -6.324 1.00 0.00 C ATOM 0 H ALA A 38 0.336 -3.069 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 38 1.528 -3.841 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.229 -2.083 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.444 -1.368 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.269 -1.400 -6.849 1.00 0.00 H new ATOM 597 N ASP A 39 -0.690 -4.861 -5.786 1.00 0.00 N ATOM 598 CA ASP A 39 -1.872 -5.687 -5.574 1.00 0.00 C ATOM 599 C ASP A 39 -2.973 -4.880 -4.894 1.00 0.00 C ATOM 600 O ASP A 39 -2.697 -4.008 -4.070 1.00 0.00 O ATOM 601 CB ASP A 39 -1.514 -6.896 -4.708 1.00 0.00 C ATOM 602 CG ASP A 39 -2.701 -7.851 -4.625 1.00 0.00 C ATOM 603 OD1 ASP A 39 -3.253 -8.170 -5.664 1.00 0.00 O ATOM 604 OD2 ASP A 39 -3.041 -8.249 -3.522 1.00 0.00 O ATOM 0 H ASP A 39 -0.002 -4.904 -5.034 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.234 -6.029 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.651 -7.412 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.232 -6.566 -3.708 1.00 0.00 H new ATOM 609 N LEU A 40 -4.218 -5.176 -5.245 1.00 0.00 N ATOM 610 CA LEU A 40 -5.354 -4.472 -4.660 1.00 0.00 C ATOM 611 C LEU A 40 -6.017 -5.328 -3.588 1.00 0.00 C ATOM 612 O LEU A 40 -6.539 -6.406 -3.875 1.00 0.00 O ATOM 613 CB LEU A 40 -6.375 -4.133 -5.749 1.00 0.00 C ATOM 614 CG LEU A 40 -7.566 -3.409 -5.120 1.00 0.00 C ATOM 615 CD1 LEU A 40 -7.101 -2.074 -4.535 1.00 0.00 C ATOM 616 CD2 LEU A 40 -8.629 -3.152 -6.192 1.00 0.00 C ATOM 0 H LEU A 40 -4.467 -5.893 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.992 -3.551 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.915 -3.505 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.710 -5.044 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.989 -4.026 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.950 -1.558 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.343 -2.255 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.679 -1.457 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.479 -2.636 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.205 -2.535 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.961 -4.102 -6.611 1.00 0.00 H new ATOM 628 N ALA A 41 -5.993 -4.844 -2.351 1.00 0.00 N ATOM 629 CA ALA A 41 -6.596 -5.576 -1.244 1.00 0.00 C ATOM 630 C ALA A 41 -7.236 -4.610 -0.251 1.00 0.00 C ATOM 631 O ALA A 41 -6.569 -4.101 0.648 1.00 0.00 O ATOM 632 CB ALA A 41 -5.530 -6.412 -0.532 1.00 0.00 C ATOM 0 H ALA A 41 -5.566 -3.955 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.368 -6.234 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.987 -6.957 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.093 -7.120 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.750 -5.755 -0.147 1.00 0.00 H new ATOM 638 N PRO A 42 -8.508 -4.350 -0.400 1.00 0.00 N ATOM 639 CA PRO A 42 -9.246 -3.422 0.501 1.00 0.00 C ATOM 640 C PRO A 42 -8.962 -3.712 1.972 1.00 0.00 C ATOM 641 O PRO A 42 -9.254 -4.799 2.470 1.00 0.00 O ATOM 642 CB PRO A 42 -10.716 -3.672 0.161 1.00 0.00 C ATOM 643 CG PRO A 42 -10.716 -4.192 -1.239 1.00 0.00 C ATOM 644 CD PRO A 42 -9.381 -4.913 -1.443 1.00 0.00 C ATOM 0 HA PRO A 42 -8.949 -2.383 0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.161 -4.392 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.299 -2.754 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.552 -4.873 -1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.828 -3.377 -1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.489 -5.992 -1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.979 -4.733 -2.440 1.00 0.00 H new ATOM 652 N LEU A 43 -8.383 -2.734 2.655 1.00 0.00 N ATOM 653 CA LEU A 43 -8.047 -2.885 4.064 1.00 0.00 C ATOM 654 C LEU A 43 -9.130 -3.668 4.808 1.00 0.00 C ATOM 655 O LEU A 43 -8.834 -4.420 5.738 1.00 0.00 O ATOM 656 CB LEU A 43 -7.858 -1.497 4.697 1.00 0.00 C ATOM 657 CG LEU A 43 -9.057 -1.137 5.577 1.00 0.00 C ATOM 658 CD1 LEU A 43 -9.007 -1.954 6.868 1.00 0.00 C ATOM 659 CD2 LEU A 43 -9.007 0.354 5.914 1.00 0.00 C ATOM 0 H LEU A 43 -8.136 -1.828 2.256 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.117 -3.449 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.946 -1.485 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.737 -0.748 3.914 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.981 -1.360 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.861 -1.697 7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.040 -3.017 6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.084 -1.732 7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.860 0.614 6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.083 0.576 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.042 0.936 4.993 1.00 0.00 H new ATOM 671 N SER A 44 -10.381 -3.478 4.405 1.00 0.00 N ATOM 672 CA SER A 44 -11.495 -4.163 5.054 1.00 0.00 C ATOM 673 C SER A 44 -11.507 -5.653 4.713 1.00 0.00 C ATOM 674 O SER A 44 -11.967 -6.473 5.507 1.00 0.00 O ATOM 675 CB SER A 44 -12.816 -3.529 4.620 1.00 0.00 C ATOM 676 OG SER A 44 -13.856 -4.495 4.718 1.00 0.00 O ATOM 0 H SER A 44 -10.649 -2.861 3.638 1.00 0.00 H new ATOM 0 HA SER A 44 -11.371 -4.060 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.043 -2.668 5.249 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.738 -3.164 3.596 1.00 0.00 H new ATOM 0 HG SER A 44 -14.705 -4.091 4.442 1.00 0.00 H new ATOM 682 N VAL A 45 -11.011 -5.997 3.530 1.00 0.00 N ATOM 683 CA VAL A 45 -10.988 -7.394 3.102 1.00 0.00 C ATOM 684 C VAL A 45 -9.919 -8.186 3.856 1.00 0.00 C ATOM 685 O VAL A 45 -10.159 -9.314 4.282 1.00 0.00 O ATOM 686 CB VAL A 45 -10.728 -7.475 1.594 1.00 0.00 C ATOM 687 CG1 VAL A 45 -9.227 -7.616 1.330 1.00 0.00 C ATOM 688 CG2 VAL A 45 -11.458 -8.691 1.018 1.00 0.00 C ATOM 0 H VAL A 45 -10.623 -5.337 2.856 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.960 -7.833 3.328 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.093 -6.565 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.050 -7.673 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.703 -6.752 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.857 -8.524 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.275 -8.751 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.091 -9.597 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.528 -8.592 1.198 1.00 0.00 H new ATOM 698 N LEU A 46 -8.739 -7.595 4.009 1.00 0.00 N ATOM 699 CA LEU A 46 -7.645 -8.269 4.704 1.00 0.00 C ATOM 700 C LEU A 46 -7.862 -8.260 6.215 1.00 0.00 C ATOM 701 O LEU A 46 -7.294 -9.081 6.936 1.00 0.00 O ATOM 702 CB LEU A 46 -6.319 -7.581 4.377 1.00 0.00 C ATOM 703 CG LEU A 46 -5.160 -8.482 4.807 1.00 0.00 C ATOM 704 CD1 LEU A 46 -5.088 -9.697 3.881 1.00 0.00 C ATOM 705 CD2 LEU A 46 -3.849 -7.699 4.722 1.00 0.00 C ATOM 0 H LEU A 46 -8.515 -6.661 3.666 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.618 -9.305 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.257 -7.375 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.258 -6.621 4.890 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.320 -8.816 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.262 -10.339 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.023 -10.255 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.928 -9.364 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.022 -8.340 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.690 -7.366 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.900 -6.832 5.381 1.00 0.00 H new ATOM 717 N GLU A 47 -8.678 -7.327 6.688 1.00 0.00 N ATOM 718 CA GLU A 47 -8.949 -7.222 8.119 1.00 0.00 C ATOM 719 C GLU A 47 -9.977 -8.261 8.560 1.00 0.00 C ATOM 720 O GLU A 47 -9.856 -8.846 9.636 1.00 0.00 O ATOM 721 CB GLU A 47 -9.467 -5.822 8.448 1.00 0.00 C ATOM 722 CG GLU A 47 -9.480 -5.626 9.965 1.00 0.00 C ATOM 723 CD GLU A 47 -10.736 -4.869 10.381 1.00 0.00 C ATOM 724 OE1 GLU A 47 -11.784 -5.489 10.446 1.00 0.00 O ATOM 725 OE2 GLU A 47 -10.632 -3.678 10.628 1.00 0.00 O ATOM 0 H GLU A 47 -9.160 -6.638 6.110 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.018 -7.406 8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.834 -5.069 7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.471 -5.690 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.446 -6.594 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.593 -5.075 10.277 1.00 0.00 H new ATOM 732 N GLN A 48 -10.991 -8.480 7.729 1.00 0.00 N ATOM 733 CA GLN A 48 -12.036 -9.445 8.055 1.00 0.00 C ATOM 734 C GLN A 48 -11.711 -10.819 7.475 1.00 0.00 C ATOM 735 O GLN A 48 -11.922 -11.841 8.127 1.00 0.00 O ATOM 736 CB GLN A 48 -13.378 -8.960 7.505 1.00 0.00 C ATOM 737 CG GLN A 48 -13.633 -7.527 7.974 1.00 0.00 C ATOM 738 CD GLN A 48 -15.095 -7.155 7.749 1.00 0.00 C ATOM 739 OE1 GLN A 48 -15.423 -6.494 6.765 1.00 0.00 O ATOM 740 NE2 GLN A 48 -15.996 -7.545 8.608 1.00 0.00 N ATOM 0 H GLN A 48 -11.112 -8.008 6.833 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.094 -9.533 9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.373 -9.002 6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.181 -9.614 7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.384 -7.432 9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.986 -6.838 7.431 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.720 -8.093 9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -16.976 -7.302 8.465 1.00 0.00 H new ATOM 749 N SER A 49 -11.201 -10.839 6.248 1.00 0.00 N ATOM 750 CA SER A 49 -10.859 -12.099 5.598 1.00 0.00 C ATOM 751 C SER A 49 -9.714 -12.789 6.330 1.00 0.00 C ATOM 752 O SER A 49 -9.900 -13.838 6.946 1.00 0.00 O ATOM 753 CB SER A 49 -10.460 -11.847 4.144 1.00 0.00 C ATOM 754 OG SER A 49 -10.460 -13.081 3.437 1.00 0.00 O ATOM 0 H SER A 49 -11.017 -10.006 5.688 1.00 0.00 H new ATOM 0 HA SER A 49 -11.735 -12.748 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.156 -11.148 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.472 -11.389 4.100 1.00 0.00 H new ATOM 0 HG SER A 49 -10.206 -12.923 2.504 1.00 0.00 H new ATOM 760 N GLY A 50 -8.532 -12.193 6.255 1.00 0.00 N ATOM 761 CA GLY A 50 -7.358 -12.757 6.912 1.00 0.00 C ATOM 762 C GLY A 50 -6.536 -13.584 5.932 1.00 0.00 C ATOM 763 O GLY A 50 -6.623 -14.812 5.912 1.00 0.00 O ATOM 0 H GLY A 50 -8.360 -11.324 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.744 -11.955 7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.669 -13.381 7.750 1.00 0.00 H new ATOM 767 N LEU A 51 -5.739 -12.901 5.120 1.00 0.00 N ATOM 768 CA LEU A 51 -4.904 -13.576 4.135 1.00 0.00 C ATOM 769 C LEU A 51 -3.427 -13.309 4.408 1.00 0.00 C ATOM 770 O LEU A 51 -2.863 -12.331 3.919 1.00 0.00 O ATOM 771 CB LEU A 51 -5.257 -13.088 2.729 1.00 0.00 C ATOM 772 CG LEU A 51 -4.543 -13.957 1.693 1.00 0.00 C ATOM 773 CD1 LEU A 51 -5.268 -15.299 1.559 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.544 -13.238 0.341 1.00 0.00 C ATOM 0 H LEU A 51 -5.653 -11.885 5.124 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.088 -14.648 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.335 -13.134 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.962 -12.045 2.610 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.516 -14.133 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.757 -15.916 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.268 -15.810 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.296 -15.127 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.036 -13.855 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.572 -13.062 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.025 -12.284 0.436 1.00 0.00 H new ATOM 786 N PRO A 52 -2.797 -14.160 5.173 1.00 0.00 N ATOM 787 CA PRO A 52 -1.351 -14.019 5.518 1.00 0.00 C ATOM 788 C PRO A 52 -0.461 -14.007 4.277 1.00 0.00 C ATOM 789 O PRO A 52 0.736 -14.284 4.360 1.00 0.00 O ATOM 790 CB PRO A 52 -1.049 -15.245 6.387 1.00 0.00 C ATOM 791 CG PRO A 52 -2.374 -15.747 6.858 1.00 0.00 C ATOM 792 CD PRO A 52 -3.394 -15.347 5.797 1.00 0.00 C ATOM 0 HA PRO A 52 -1.150 -13.075 6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.522 -16.009 5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.410 -14.979 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.354 -16.829 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.631 -15.314 7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.551 -16.145 5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.365 -15.122 6.239 1.00 0.00 H new ATOM 800 N ALA A 53 -1.049 -13.685 3.129 1.00 0.00 N ATOM 801 CA ALA A 53 -0.290 -13.639 1.885 1.00 0.00 C ATOM 802 C ALA A 53 1.008 -12.867 2.088 1.00 0.00 C ATOM 803 O ALA A 53 1.968 -13.032 1.337 1.00 0.00 O ATOM 804 CB ALA A 53 -1.120 -12.970 0.789 1.00 0.00 C ATOM 0 H ALA A 53 -2.038 -13.454 3.034 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.053 -14.659 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.545 -12.940 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.036 -13.538 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.372 -11.954 1.092 1.00 0.00 H new ATOM 810 N LYS A 54 1.025 -12.025 3.116 1.00 0.00 N ATOM 811 CA LYS A 54 2.205 -11.226 3.422 1.00 0.00 C ATOM 812 C LYS A 54 3.376 -12.129 3.800 1.00 0.00 C ATOM 813 O LYS A 54 4.539 -11.771 3.610 1.00 0.00 O ATOM 814 CB LYS A 54 1.892 -10.269 4.575 1.00 0.00 C ATOM 815 CG LYS A 54 3.194 -9.803 5.228 1.00 0.00 C ATOM 816 CD LYS A 54 3.032 -8.362 5.716 1.00 0.00 C ATOM 817 CE LYS A 54 1.928 -8.297 6.774 1.00 0.00 C ATOM 818 NZ LYS A 54 0.639 -7.925 6.124 1.00 0.00 N ATOM 0 H LYS A 54 0.238 -11.879 3.749 1.00 0.00 H new ATOM 0 HA LYS A 54 2.481 -10.651 2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.332 -9.410 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.262 -10.767 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.448 -10.455 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.015 -9.866 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.972 -8.002 6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.785 -7.710 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.831 -9.261 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.186 -7.566 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.193 -7.150 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.819 -7.616 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.004 -8.749 6.115 1.00 0.00 H new ATOM 832 N LEU A 55 3.060 -13.307 4.328 1.00 0.00 N ATOM 833 CA LEU A 55 4.094 -14.255 4.723 1.00 0.00 C ATOM 834 C LEU A 55 4.670 -14.954 3.497 1.00 0.00 C ATOM 835 O LEU A 55 5.669 -15.666 3.590 1.00 0.00 O ATOM 836 CB LEU A 55 3.512 -15.298 5.678 1.00 0.00 C ATOM 837 CG LEU A 55 3.481 -14.734 7.100 1.00 0.00 C ATOM 838 CD1 LEU A 55 2.587 -13.493 7.138 1.00 0.00 C ATOM 839 CD2 LEU A 55 2.922 -15.792 8.053 1.00 0.00 C ATOM 0 H LEU A 55 2.105 -13.626 4.491 1.00 0.00 H new ATOM 0 HA LEU A 55 4.890 -13.707 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.505 -15.572 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.113 -16.207 5.650 1.00 0.00 H new ATOM 0 HG LEU A 55 4.491 -14.463 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.565 -13.091 8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.982 -12.739 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.576 -13.763 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.899 -15.393 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.911 -16.061 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.557 -16.678 8.026 1.00 0.00 H new ATOM 851 N ARG A 56 4.037 -14.744 2.347 1.00 0.00 N ATOM 852 CA ARG A 56 4.504 -15.359 1.111 1.00 0.00 C ATOM 853 C ARG A 56 5.666 -14.562 0.535 1.00 0.00 C ATOM 854 O ARG A 56 6.088 -14.784 -0.599 1.00 0.00 O ATOM 855 CB ARG A 56 3.365 -15.432 0.090 1.00 0.00 C ATOM 856 CG ARG A 56 2.233 -16.294 0.652 1.00 0.00 C ATOM 857 CD ARG A 56 1.127 -16.435 -0.394 1.00 0.00 C ATOM 858 NE ARG A 56 1.595 -17.232 -1.523 1.00 0.00 N ATOM 859 CZ ARG A 56 1.425 -18.550 -1.552 1.00 0.00 C ATOM 860 NH1 ARG A 56 0.827 -19.154 -0.562 1.00 0.00 N ATOM 861 NH2 ARG A 56 1.854 -19.241 -2.572 1.00 0.00 N ATOM 0 H ARG A 56 3.208 -14.159 2.246 1.00 0.00 H new ATOM 0 HA ARG A 56 4.843 -16.371 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.998 -14.430 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.728 -15.855 -0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.614 -17.277 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.834 -15.841 1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.252 -16.906 0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.817 -15.449 -0.740 1.00 0.00 H new ATOM 0 HE ARG A 56 2.061 -16.770 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.489 -18.615 0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.697 -20.165 -0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.320 -18.770 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.723 -20.252 -2.594 1.00 0.00 H new ATOM 875 N HIS A 57 6.175 -13.637 1.335 1.00 0.00 N ATOM 876 CA HIS A 57 7.295 -12.804 0.916 1.00 0.00 C ATOM 877 C HIS A 57 8.154 -12.423 2.118 1.00 0.00 C ATOM 878 O HIS A 57 8.300 -13.202 3.059 1.00 0.00 O ATOM 879 CB HIS A 57 6.774 -11.539 0.233 1.00 0.00 C ATOM 880 CG HIS A 57 7.708 -11.149 -0.878 1.00 0.00 C ATOM 881 ND1 HIS A 57 8.253 -12.083 -1.744 1.00 0.00 N ATOM 882 CD2 HIS A 57 8.202 -9.933 -1.279 1.00 0.00 C ATOM 883 CE1 HIS A 57 9.035 -11.420 -2.616 1.00 0.00 C ATOM 884 NE2 HIS A 57 9.040 -10.106 -2.377 1.00 0.00 N ATOM 0 H HIS A 57 5.832 -13.444 2.276 1.00 0.00 H new ATOM 0 HA HIS A 57 7.906 -13.369 0.213 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.773 -11.712 -0.163 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.694 -10.728 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.975 -8.985 -0.813 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.591 -11.893 -3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.548 -9.385 -2.889 1.00 0.00 H new ATOM 892 N GLU A 58 8.718 -11.220 2.079 1.00 0.00 N ATOM 893 CA GLU A 58 9.559 -10.744 3.172 1.00 0.00 C ATOM 894 C GLU A 58 9.475 -9.226 3.283 1.00 0.00 C ATOM 895 O GLU A 58 9.484 -8.673 4.384 1.00 0.00 O ATOM 896 CB GLU A 58 11.010 -11.165 2.938 1.00 0.00 C ATOM 897 CG GLU A 58 11.907 -10.512 3.990 1.00 0.00 C ATOM 898 CD GLU A 58 13.349 -10.973 3.806 1.00 0.00 C ATOM 899 OE1 GLU A 58 13.764 -11.114 2.667 1.00 0.00 O ATOM 900 OE2 GLU A 58 14.015 -11.181 4.806 1.00 0.00 O ATOM 0 H GLU A 58 8.609 -10.561 1.308 1.00 0.00 H new ATOM 0 HA GLU A 58 9.203 -11.186 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.098 -12.250 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.329 -10.869 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.850 -9.427 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.558 -10.772 4.989 1.00 0.00 H new ATOM 907 N GLN A 59 9.375 -8.561 2.138 1.00 0.00 N ATOM 908 CA GLN A 59 9.269 -7.109 2.116 1.00 0.00 C ATOM 909 C GLN A 59 7.877 -6.716 1.638 1.00 0.00 C ATOM 910 O GLN A 59 7.373 -7.262 0.658 1.00 0.00 O ATOM 911 CB GLN A 59 10.325 -6.516 1.179 1.00 0.00 C ATOM 912 CG GLN A 59 11.368 -5.752 1.999 1.00 0.00 C ATOM 913 CD GLN A 59 12.558 -5.385 1.118 1.00 0.00 C ATOM 914 OE1 GLN A 59 12.397 -4.694 0.111 1.00 0.00 O ATOM 915 NE2 GLN A 59 13.750 -5.808 1.438 1.00 0.00 N ATOM 0 H GLN A 59 9.365 -9.002 1.218 1.00 0.00 H new ATOM 0 HA GLN A 59 9.436 -6.721 3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.807 -7.310 0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.853 -5.848 0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.923 -4.849 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.701 -6.362 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.881 -6.380 2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.551 -5.567 0.854 1.00 0.00 H new ATOM 924 N ILE A 60 7.248 -5.788 2.346 1.00 0.00 N ATOM 925 CA ILE A 60 5.905 -5.367 1.986 1.00 0.00 C ATOM 926 C ILE A 60 5.772 -3.849 2.021 1.00 0.00 C ATOM 927 O ILE A 60 6.489 -3.166 2.754 1.00 0.00 O ATOM 928 CB ILE A 60 4.911 -5.993 2.959 1.00 0.00 C ATOM 929 CG1 ILE A 60 5.528 -7.258 3.560 1.00 0.00 C ATOM 930 CG2 ILE A 60 3.624 -6.359 2.219 1.00 0.00 C ATOM 931 CD1 ILE A 60 6.550 -6.872 4.631 1.00 0.00 C ATOM 0 H ILE A 60 7.641 -5.319 3.162 1.00 0.00 H new ATOM 0 HA ILE A 60 5.697 -5.698 0.969 1.00 0.00 H new ATOM 0 HB ILE A 60 4.679 -5.281 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.749 -7.883 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.009 -7.846 2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.917 -6.806 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.186 -5.460 1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.850 -7.072 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.988 -7.774 5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.336 -6.264 4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.055 -6.302 5.417 1.00 0.00 H new ATOM 943 N ILE A 61 4.844 -3.333 1.225 1.00 0.00 N ATOM 944 CA ILE A 61 4.607 -1.898 1.163 1.00 0.00 C ATOM 945 C ILE A 61 3.115 -1.618 1.026 1.00 0.00 C ATOM 946 O ILE A 61 2.454 -2.145 0.132 1.00 0.00 O ATOM 947 CB ILE A 61 5.361 -1.298 -0.022 1.00 0.00 C ATOM 948 CG1 ILE A 61 6.784 -1.858 -0.045 1.00 0.00 C ATOM 949 CG2 ILE A 61 5.412 0.223 0.122 1.00 0.00 C ATOM 950 CD1 ILE A 61 7.645 -1.026 -0.995 1.00 0.00 C ATOM 0 H ILE A 61 4.244 -3.887 0.614 1.00 0.00 H new ATOM 0 HA ILE A 61 4.968 -1.440 2.084 1.00 0.00 H new ATOM 0 HB ILE A 61 4.851 -1.554 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.209 -1.840 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.771 -2.899 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.950 0.651 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.397 0.621 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.925 0.484 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.659 -1.425 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.223 -1.067 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.668 0.009 -0.653 1.00 0.00 H new ATOM 962 N PHE A 62 2.588 -0.796 1.925 1.00 0.00 N ATOM 963 CA PHE A 62 1.168 -0.464 1.901 1.00 0.00 C ATOM 964 C PHE A 62 0.951 0.968 1.427 1.00 0.00 C ATOM 965 O PHE A 62 1.790 1.841 1.652 1.00 0.00 O ATOM 966 CB PHE A 62 0.573 -0.637 3.299 1.00 0.00 C ATOM 967 CG PHE A 62 0.475 -2.107 3.624 1.00 0.00 C ATOM 968 CD1 PHE A 62 1.548 -2.762 4.240 1.00 0.00 C ATOM 969 CD2 PHE A 62 -0.689 -2.818 3.310 1.00 0.00 C ATOM 970 CE1 PHE A 62 1.458 -4.126 4.541 1.00 0.00 C ATOM 971 CE2 PHE A 62 -0.780 -4.182 3.609 1.00 0.00 C ATOM 972 CZ PHE A 62 0.294 -4.836 4.225 1.00 0.00 C ATOM 0 H PHE A 62 3.117 -0.350 2.674 1.00 0.00 H new ATOM 0 HA PHE A 62 0.670 -1.138 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.196 -0.131 4.036 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.414 -0.176 3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.446 -2.214 4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.518 -2.313 2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.286 -4.630 5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.678 -4.730 3.365 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.224 -5.889 4.456 1.00 0.00 H new ATOM 982 N HIS A 63 -0.181 1.204 0.772 1.00 0.00 N ATOM 983 CA HIS A 63 -0.497 2.538 0.274 1.00 0.00 C ATOM 984 C HIS A 63 -1.970 2.869 0.507 1.00 0.00 C ATOM 985 O HIS A 63 -2.852 2.059 0.222 1.00 0.00 O ATOM 986 CB HIS A 63 -0.184 2.619 -1.222 1.00 0.00 C ATOM 987 CG HIS A 63 0.303 1.281 -1.705 1.00 0.00 C ATOM 988 ND1 HIS A 63 -0.501 0.423 -2.440 1.00 0.00 N ATOM 989 CD2 HIS A 63 1.506 0.636 -1.562 1.00 0.00 C ATOM 990 CE1 HIS A 63 0.222 -0.678 -2.710 1.00 0.00 C ATOM 991 NE2 HIS A 63 1.453 -0.600 -2.199 1.00 0.00 N ATOM 0 H HIS A 63 -0.889 0.497 0.575 1.00 0.00 H new ATOM 0 HA HIS A 63 0.112 3.261 0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.075 2.915 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.573 3.381 -1.405 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -1.465 0.596 -2.724 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.363 1.028 -1.035 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.148 -1.523 -3.272 1.00 0.00 H new ATOM 999 N CYS A 64 -2.224 4.067 1.023 1.00 0.00 N ATOM 1000 CA CYS A 64 -3.590 4.504 1.287 1.00 0.00 C ATOM 1001 C CYS A 64 -3.938 5.717 0.429 1.00 0.00 C ATOM 1002 O CYS A 64 -3.057 6.477 0.028 1.00 0.00 O ATOM 1003 CB CYS A 64 -3.752 4.857 2.765 1.00 0.00 C ATOM 1004 SG CYS A 64 -5.177 5.956 2.971 1.00 0.00 S ATOM 0 H CYS A 64 -1.506 4.750 1.266 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.267 3.688 1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -3.891 3.950 3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.849 5.342 3.135 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.222 5.420 2.414 1.00 0.00 H new ATOM 1010 N GLN A 65 -5.225 5.890 0.149 1.00 0.00 N ATOM 1011 CA GLN A 65 -5.675 7.015 -0.665 1.00 0.00 C ATOM 1012 C GLN A 65 -4.840 8.261 -0.380 1.00 0.00 C ATOM 1013 O GLN A 65 -4.602 9.074 -1.272 1.00 0.00 O ATOM 1014 CB GLN A 65 -7.149 7.313 -0.380 1.00 0.00 C ATOM 1015 CG GLN A 65 -7.275 8.029 0.966 1.00 0.00 C ATOM 1016 CD GLN A 65 -8.681 7.845 1.524 1.00 0.00 C ATOM 1017 OE1 GLN A 65 -9.637 8.425 1.007 1.00 0.00 O ATOM 1018 NE2 GLN A 65 -8.869 7.064 2.553 1.00 0.00 N ATOM 0 H GLN A 65 -5.970 5.272 0.470 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.553 6.744 -1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.566 7.933 -1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.722 6.386 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.541 7.633 1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.059 9.090 0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.077 6.584 2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.808 6.934 2.929 1.00 0.00 H new ATOM 1027 N ALA A 66 -4.404 8.409 0.868 1.00 0.00 N ATOM 1028 CA ALA A 66 -3.603 9.566 1.250 1.00 0.00 C ATOM 1029 C ALA A 66 -2.483 9.162 2.205 1.00 0.00 C ATOM 1030 O ALA A 66 -1.374 9.694 2.135 1.00 0.00 O ATOM 1031 CB ALA A 66 -4.491 10.615 1.922 1.00 0.00 C ATOM 0 H ALA A 66 -4.590 7.750 1.624 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.158 9.985 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.886 11.477 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.270 10.931 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.950 10.186 2.813 1.00 0.00 H new ATOM 1037 N GLY A 67 -2.779 8.225 3.098 1.00 0.00 N ATOM 1038 CA GLY A 67 -1.788 7.764 4.063 1.00 0.00 C ATOM 1039 C GLY A 67 -2.417 7.578 5.441 1.00 0.00 C ATOM 1040 O GLY A 67 -1.763 7.114 6.376 1.00 0.00 O ATOM 0 H GLY A 67 -3.690 7.772 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.356 6.822 3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.972 8.484 4.125 1.00 0.00 H new ATOM 1044 N LYS A 68 -3.688 7.946 5.557 1.00 0.00 N ATOM 1045 CA LYS A 68 -4.398 7.820 6.825 1.00 0.00 C ATOM 1046 C LYS A 68 -4.935 6.403 7.003 1.00 0.00 C ATOM 1047 O LYS A 68 -4.802 5.809 8.072 1.00 0.00 O ATOM 1048 CB LYS A 68 -5.560 8.815 6.867 1.00 0.00 C ATOM 1049 CG LYS A 68 -5.608 9.490 8.240 1.00 0.00 C ATOM 1050 CD LYS A 68 -4.649 10.681 8.257 1.00 0.00 C ATOM 1051 CE LYS A 68 -4.962 11.569 9.462 1.00 0.00 C ATOM 1052 NZ LYS A 68 -5.605 10.749 10.527 1.00 0.00 N ATOM 0 H LYS A 68 -4.245 8.331 4.794 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.701 8.035 7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.438 9.565 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.500 8.300 6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.623 9.823 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.333 8.777 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.618 10.331 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.746 11.253 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.046 12.023 9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.623 12.383 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.573 11.265 11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.595 10.561 10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.096 9.847 10.626 1.00 0.00 H new ATOM 1066 N ARG A 69 -5.545 5.873 5.950 1.00 0.00 N ATOM 1067 CA ARG A 69 -6.105 4.527 5.998 1.00 0.00 C ATOM 1068 C ARG A 69 -5.019 3.504 6.319 1.00 0.00 C ATOM 1069 O ARG A 69 -5.275 2.503 6.987 1.00 0.00 O ATOM 1070 CB ARG A 69 -6.750 4.186 4.652 1.00 0.00 C ATOM 1071 CG ARG A 69 -7.841 3.128 4.846 1.00 0.00 C ATOM 1072 CD ARG A 69 -9.203 3.735 4.511 1.00 0.00 C ATOM 1073 NE ARG A 69 -9.491 4.851 5.405 1.00 0.00 N ATOM 1074 CZ ARG A 69 -9.696 4.655 6.703 1.00 0.00 C ATOM 1075 NH1 ARG A 69 -9.642 3.449 7.199 1.00 0.00 N ATOM 1076 NH2 ARG A 69 -9.949 5.669 7.484 1.00 0.00 N ATOM 0 H ARG A 69 -5.664 6.351 5.057 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.860 4.494 6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.178 5.084 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.993 3.817 3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.647 2.268 4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.834 2.767 5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.212 4.077 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.980 2.976 4.603 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.536 5.797 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.442 2.656 6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.800 3.300 8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.989 6.612 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.106 5.518 8.480 1.00 0.00 H new ATOM 1090 N THR A 70 -3.809 3.762 5.835 1.00 0.00 N ATOM 1091 CA THR A 70 -2.691 2.856 6.073 1.00 0.00 C ATOM 1092 C THR A 70 -2.215 2.954 7.520 1.00 0.00 C ATOM 1093 O THR A 70 -1.991 1.939 8.180 1.00 0.00 O ATOM 1094 CB THR A 70 -1.536 3.197 5.129 1.00 0.00 C ATOM 1095 OG1 THR A 70 -1.937 2.958 3.787 1.00 0.00 O ATOM 1096 CG2 THR A 70 -0.325 2.326 5.466 1.00 0.00 C ATOM 0 H THR A 70 -3.578 4.585 5.279 1.00 0.00 H new ATOM 0 HA THR A 70 -3.028 1.837 5.885 1.00 0.00 H new ATOM 0 HB THR A 70 -1.268 4.247 5.246 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.199 3.178 3.181 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.497 2.570 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.018 2.512 6.495 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.589 1.275 5.350 1.00 0.00 H new ATOM 1104 N SER A 71 -2.059 4.181 8.005 1.00 0.00 N ATOM 1105 CA SER A 71 -1.606 4.399 9.374 1.00 0.00 C ATOM 1106 C SER A 71 -2.610 3.834 10.374 1.00 0.00 C ATOM 1107 O SER A 71 -2.246 3.466 11.492 1.00 0.00 O ATOM 1108 CB SER A 71 -1.418 5.895 9.628 1.00 0.00 C ATOM 1109 OG SER A 71 -2.490 6.613 9.030 1.00 0.00 O ATOM 0 H SER A 71 -2.238 5.034 7.475 1.00 0.00 H new ATOM 0 HA SER A 71 -0.655 3.883 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.386 6.092 10.700 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.466 6.229 9.214 1.00 0.00 H new ATOM 0 HG SER A 71 -3.297 6.058 9.033 1.00 0.00 H new ATOM 1115 N ASN A 72 -3.874 3.771 9.968 1.00 0.00 N ATOM 1116 CA ASN A 72 -4.919 3.251 10.842 1.00 0.00 C ATOM 1117 C ASN A 72 -5.013 1.732 10.726 1.00 0.00 C ATOM 1118 O ASN A 72 -5.418 1.052 11.669 1.00 0.00 O ATOM 1119 CB ASN A 72 -6.265 3.877 10.476 1.00 0.00 C ATOM 1120 CG ASN A 72 -7.045 4.210 11.744 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -7.127 5.374 12.136 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -7.626 3.250 12.412 1.00 0.00 N ATOM 0 H ASN A 72 -4.197 4.071 9.048 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.666 3.509 11.870 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.107 4.781 9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.839 3.189 9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.149 3.464 13.261 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.556 2.286 12.085 1.00 0.00 H new ATOM 1129 N ASN A 73 -4.635 1.205 9.565 1.00 0.00 N ATOM 1130 CA ASN A 73 -4.681 -0.235 9.341 1.00 0.00 C ATOM 1131 C ASN A 73 -3.284 -0.839 9.448 1.00 0.00 C ATOM 1132 O ASN A 73 -3.129 -2.058 9.525 1.00 0.00 O ATOM 1133 CB ASN A 73 -5.262 -0.531 7.956 1.00 0.00 C ATOM 1134 CG ASN A 73 -5.974 -1.879 7.967 1.00 0.00 C ATOM 1135 OD1 ASN A 73 -6.724 -2.178 8.896 1.00 0.00 O ATOM 1136 ND2 ASN A 73 -5.784 -2.717 6.984 1.00 0.00 N ATOM 0 H ASN A 73 -4.296 1.749 8.771 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.318 -0.682 10.105 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.960 0.256 7.669 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.465 -0.537 7.212 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.257 -3.621 6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.162 -2.468 6.215 1.00 0.00 H new ATOM 1143 N ALA A 74 -2.271 0.020 9.450 1.00 0.00 N ATOM 1144 CA ALA A 74 -0.892 -0.442 9.546 1.00 0.00 C ATOM 1145 C ALA A 74 -0.701 -1.312 10.784 1.00 0.00 C ATOM 1146 O ALA A 74 0.066 -2.274 10.765 1.00 0.00 O ATOM 1147 CB ALA A 74 0.057 0.756 9.610 1.00 0.00 C ATOM 0 H ALA A 74 -2.377 1.032 9.387 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.667 -1.037 8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.085 0.402 9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.057 1.359 8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.180 1.362 10.485 1.00 0.00 H new ATOM 1153 N ASP A 75 -1.404 -0.968 11.858 1.00 0.00 N ATOM 1154 CA ASP A 75 -1.302 -1.727 13.099 1.00 0.00 C ATOM 1155 C ASP A 75 -1.796 -3.156 12.895 1.00 0.00 C ATOM 1156 O ASP A 75 -1.271 -4.095 13.492 1.00 0.00 O ATOM 1157 CB ASP A 75 -2.129 -1.050 14.194 1.00 0.00 C ATOM 1158 CG ASP A 75 -2.271 -1.984 15.391 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -1.386 -2.800 15.590 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -3.264 -1.871 16.092 1.00 0.00 O ATOM 0 H ASP A 75 -2.045 -0.176 11.895 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.255 -1.756 13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.649 -0.121 14.502 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.114 -0.788 13.808 1.00 0.00 H new ATOM 1165 N LYS A 76 -2.808 -3.313 12.048 1.00 0.00 N ATOM 1166 CA LYS A 76 -3.362 -4.634 11.774 1.00 0.00 C ATOM 1167 C LYS A 76 -2.407 -5.445 10.905 1.00 0.00 C ATOM 1168 O LYS A 76 -2.309 -6.664 11.045 1.00 0.00 O ATOM 1169 CB LYS A 76 -4.711 -4.500 11.065 1.00 0.00 C ATOM 1170 CG LYS A 76 -5.802 -4.194 12.094 1.00 0.00 C ATOM 1171 CD LYS A 76 -6.306 -5.502 12.707 1.00 0.00 C ATOM 1172 CE LYS A 76 -7.278 -5.191 13.846 1.00 0.00 C ATOM 1173 NZ LYS A 76 -8.670 -5.496 13.408 1.00 0.00 N ATOM 0 H LYS A 76 -3.258 -2.549 11.543 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.502 -5.152 12.723 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.665 -3.705 10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.947 -5.421 10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.409 -3.542 12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.626 -3.661 11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.802 -6.105 11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.466 -6.088 13.081 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.025 -5.782 14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.197 -4.142 14.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.332 -5.285 14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.909 -4.914 12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.742 -6.502 13.156 1.00 0.00 H new ATOM 1187 N LEU A 77 -1.707 -4.761 10.008 1.00 0.00 N ATOM 1188 CA LEU A 77 -0.761 -5.428 9.121 1.00 0.00 C ATOM 1189 C LEU A 77 0.512 -5.792 9.878 1.00 0.00 C ATOM 1190 O LEU A 77 0.914 -6.955 9.914 1.00 0.00 O ATOM 1191 CB LEU A 77 -0.419 -4.515 7.943 1.00 0.00 C ATOM 1192 CG LEU A 77 -1.710 -3.984 7.316 1.00 0.00 C ATOM 1193 CD1 LEU A 77 -1.373 -2.898 6.293 1.00 0.00 C ATOM 1194 CD2 LEU A 77 -2.447 -5.129 6.619 1.00 0.00 C ATOM 0 H LEU A 77 -1.775 -3.752 9.876 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.220 -6.343 8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.202 -3.685 8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.160 -5.064 7.200 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.345 -3.563 8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.293 -2.520 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.848 -2.081 6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.737 -3.317 5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.367 -4.751 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.811 -5.550 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.689 -5.903 7.347 1.00 0.00 H new ATOM 1206 N ALA A 78 1.141 -4.790 10.485 1.00 0.00 N ATOM 1207 CA ALA A 78 2.366 -5.018 11.240 1.00 0.00 C ATOM 1208 C ALA A 78 2.241 -6.277 12.092 1.00 0.00 C ATOM 1209 O ALA A 78 3.229 -6.967 12.347 1.00 0.00 O ATOM 1210 CB ALA A 78 2.656 -3.816 12.141 1.00 0.00 C ATOM 0 H ALA A 78 0.825 -3.820 10.469 1.00 0.00 H new ATOM 0 HA ALA A 78 3.187 -5.149 10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.573 -3.995 12.702 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.773 -2.922 11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.828 -3.674 12.835 1.00 0.00 H new ATOM 1216 N ALA A 79 1.020 -6.572 12.528 1.00 0.00 N ATOM 1217 CA ALA A 79 0.778 -7.753 13.348 1.00 0.00 C ATOM 1218 C ALA A 79 0.988 -9.022 12.526 1.00 0.00 C ATOM 1219 O ALA A 79 1.565 -9.998 13.007 1.00 0.00 O ATOM 1220 CB ALA A 79 -0.651 -7.728 13.893 1.00 0.00 C ATOM 0 H ALA A 79 0.189 -6.014 12.329 1.00 0.00 H new ATOM 0 HA ALA A 79 1.482 -7.747 14.180 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.823 -8.614 14.504 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.793 -6.835 14.501 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.357 -7.718 13.063 1.00 0.00 H new ATOM 1226 N ILE A 80 0.516 -8.997 11.284 1.00 0.00 N ATOM 1227 CA ILE A 80 0.655 -10.147 10.398 1.00 0.00 C ATOM 1228 C ILE A 80 2.044 -10.172 9.766 1.00 0.00 C ATOM 1229 O ILE A 80 2.580 -11.238 9.463 1.00 0.00 O ATOM 1230 CB ILE A 80 -0.407 -10.086 9.297 1.00 0.00 C ATOM 1231 CG1 ILE A 80 -1.799 -10.133 9.932 1.00 0.00 C ATOM 1232 CG2 ILE A 80 -0.235 -11.279 8.355 1.00 0.00 C ATOM 1233 CD1 ILE A 80 -2.854 -9.785 8.880 1.00 0.00 C ATOM 0 H ILE A 80 0.036 -8.198 10.870 1.00 0.00 H new ATOM 0 HA ILE A 80 0.520 -11.055 10.986 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.295 -9.160 8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.991 -11.126 10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.854 -9.431 10.764 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.991 -11.236 7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.757 -11.247 7.904 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.348 -12.206 8.917 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.845 -9.819 9.333 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.666 -8.783 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.804 -10.505 8.063 1.00 0.00 H new ATOM 1245 N ALA A 81 2.619 -8.990 9.567 1.00 0.00 N ATOM 1246 CA ALA A 81 3.943 -8.884 8.967 1.00 0.00 C ATOM 1247 C ALA A 81 4.962 -9.701 9.750 1.00 0.00 C ATOM 1248 O ALA A 81 5.791 -10.401 9.168 1.00 0.00 O ATOM 1249 CB ALA A 81 4.387 -7.421 8.930 1.00 0.00 C ATOM 0 H ALA A 81 2.191 -8.097 9.811 1.00 0.00 H new ATOM 0 HA ALA A 81 3.885 -9.275 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.377 -7.353 8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.679 -6.841 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.422 -7.026 9.945 1.00 0.00 H new ATOM 1255 N ALA A 82 4.903 -9.601 11.071 1.00 0.00 N ATOM 1256 CA ALA A 82 5.838 -10.332 11.918 1.00 0.00 C ATOM 1257 C ALA A 82 7.202 -9.659 11.890 1.00 0.00 C ATOM 1258 O ALA A 82 7.404 -8.673 11.183 1.00 0.00 O ATOM 1259 CB ALA A 82 5.961 -11.778 11.433 1.00 0.00 C ATOM 0 H ALA A 82 4.226 -9.028 11.576 1.00 0.00 H new ATOM 0 HA ALA A 82 5.463 -10.331 12.941 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.661 -12.317 12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.985 -12.261 11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.325 -11.787 10.406 1.00 0.00 H new ATOM 1265 N PRO A 83 8.128 -10.168 12.650 1.00 0.00 N ATOM 1266 CA PRO A 83 9.504 -9.605 12.726 1.00 0.00 C ATOM 1267 C PRO A 83 10.157 -9.497 11.350 1.00 0.00 C ATOM 1268 O PRO A 83 11.149 -10.169 11.068 1.00 0.00 O ATOM 1269 CB PRO A 83 10.260 -10.590 13.621 1.00 0.00 C ATOM 1270 CG PRO A 83 9.214 -11.330 14.388 1.00 0.00 C ATOM 1271 CD PRO A 83 7.961 -11.341 13.519 1.00 0.00 C ATOM 0 HA PRO A 83 9.507 -8.588 13.119 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.865 -11.274 13.026 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.939 -10.065 14.293 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.541 -12.346 14.608 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.018 -10.844 15.344 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.884 -12.261 12.939 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.056 -11.267 14.121 1.00 0.00 H new ATOM 1279 N ALA A 84 9.593 -8.644 10.499 1.00 0.00 N ATOM 1280 CA ALA A 84 10.125 -8.451 9.155 1.00 0.00 C ATOM 1281 C ALA A 84 10.335 -6.966 8.871 1.00 0.00 C ATOM 1282 O ALA A 84 10.575 -6.178 9.785 1.00 0.00 O ATOM 1283 CB ALA A 84 9.161 -9.033 8.121 1.00 0.00 C ATOM 0 H ALA A 84 8.772 -8.079 10.715 1.00 0.00 H new ATOM 0 HA ALA A 84 11.084 -8.965 9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.567 -8.884 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.031 -10.100 8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.197 -8.531 8.200 1.00 0.00 H new ATOM 1289 N GLU A 85 10.239 -6.593 7.599 1.00 0.00 N ATOM 1290 CA GLU A 85 10.417 -5.198 7.206 1.00 0.00 C ATOM 1291 C GLU A 85 9.182 -4.692 6.467 1.00 0.00 C ATOM 1292 O GLU A 85 8.798 -5.240 5.434 1.00 0.00 O ATOM 1293 CB GLU A 85 11.644 -5.057 6.304 1.00 0.00 C ATOM 1294 CG GLU A 85 12.725 -6.044 6.746 1.00 0.00 C ATOM 1295 CD GLU A 85 14.095 -5.378 6.681 1.00 0.00 C ATOM 1296 OE1 GLU A 85 14.179 -4.208 7.016 1.00 0.00 O ATOM 1297 OE2 GLU A 85 15.039 -6.047 6.296 1.00 0.00 O ATOM 0 H GLU A 85 10.041 -7.230 6.828 1.00 0.00 H new ATOM 0 HA GLU A 85 10.562 -4.603 8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.368 -5.246 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.027 -4.038 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.525 -6.385 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.709 -6.925 6.105 1.00 0.00 H new ATOM 1304 N ILE A 86 8.564 -3.645 7.002 1.00 0.00 N ATOM 1305 CA ILE A 86 7.373 -3.075 6.383 1.00 0.00 C ATOM 1306 C ILE A 86 7.560 -1.583 6.132 1.00 0.00 C ATOM 1307 O ILE A 86 7.901 -0.827 7.042 1.00 0.00 O ATOM 1308 CB ILE A 86 6.157 -3.297 7.285 1.00 0.00 C ATOM 1309 CG1 ILE A 86 6.243 -4.684 7.923 1.00 0.00 C ATOM 1310 CG2 ILE A 86 4.879 -3.203 6.450 1.00 0.00 C ATOM 1311 CD1 ILE A 86 6.982 -4.591 9.260 1.00 0.00 C ATOM 0 H ILE A 86 8.865 -3.176 7.857 1.00 0.00 H new ATOM 0 HA ILE A 86 7.210 -3.573 5.427 1.00 0.00 H new ATOM 0 HB ILE A 86 6.140 -2.536 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.242 -5.087 8.077 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.764 -5.370 7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.012 -3.361 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.816 -2.216 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.897 -3.965 5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.042 -5.581 9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.988 -4.207 9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.443 -3.919 9.928 1.00 0.00 H new ATOM 1323 N PHE A 87 7.332 -1.165 4.892 1.00 0.00 N ATOM 1324 CA PHE A 87 7.477 0.240 4.527 1.00 0.00 C ATOM 1325 C PHE A 87 6.129 0.828 4.127 1.00 0.00 C ATOM 1326 O PHE A 87 5.191 0.095 3.813 1.00 0.00 O ATOM 1327 CB PHE A 87 8.467 0.378 3.370 1.00 0.00 C ATOM 1328 CG PHE A 87 9.776 -0.270 3.753 1.00 0.00 C ATOM 1329 CD1 PHE A 87 10.487 0.198 4.865 1.00 0.00 C ATOM 1330 CD2 PHE A 87 10.277 -1.340 3.001 1.00 0.00 C ATOM 1331 CE1 PHE A 87 11.699 -0.402 5.224 1.00 0.00 C ATOM 1332 CE2 PHE A 87 11.490 -1.939 3.361 1.00 0.00 C ATOM 1333 CZ PHE A 87 12.200 -1.471 4.472 1.00 0.00 C ATOM 0 H PHE A 87 7.047 -1.775 4.126 1.00 0.00 H new ATOM 0 HA PHE A 87 7.855 0.787 5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.064 -0.093 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.624 1.431 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 87 10.100 1.022 5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.728 -1.703 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.248 -0.040 6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.878 -2.763 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.135 -1.935 4.750 1.00 0.00 H new ATOM 1343 N LEU A 88 6.035 2.154 4.144 1.00 0.00 N ATOM 1344 CA LEU A 88 4.789 2.821 3.786 1.00 0.00 C ATOM 1345 C LEU A 88 5.041 3.925 2.763 1.00 0.00 C ATOM 1346 O LEU A 88 6.031 4.650 2.851 1.00 0.00 O ATOM 1347 CB LEU A 88 4.137 3.425 5.034 1.00 0.00 C ATOM 1348 CG LEU A 88 4.283 2.462 6.215 1.00 0.00 C ATOM 1349 CD1 LEU A 88 3.935 3.191 7.514 1.00 0.00 C ATOM 1350 CD2 LEU A 88 3.334 1.275 6.029 1.00 0.00 C ATOM 0 H LEU A 88 6.798 2.782 4.399 1.00 0.00 H new ATOM 0 HA LEU A 88 4.121 2.079 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.604 4.381 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.082 3.624 4.844 1.00 0.00 H new ATOM 0 HG LEU A 88 5.311 2.102 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.039 2.505 8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.610 4.036 7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.908 3.552 7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.439 0.590 6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.306 1.635 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.580 0.754 5.104 1.00 0.00 H new ATOM 1362 N LEU A 89 4.136 4.049 1.799 1.00 0.00 N ATOM 1363 CA LEU A 89 4.269 5.073 0.769 1.00 0.00 C ATOM 1364 C LEU A 89 3.665 6.387 1.255 1.00 0.00 C ATOM 1365 O LEU A 89 2.447 6.521 1.359 1.00 0.00 O ATOM 1366 CB LEU A 89 3.563 4.625 -0.513 1.00 0.00 C ATOM 1367 CG LEU A 89 3.860 5.620 -1.638 1.00 0.00 C ATOM 1368 CD1 LEU A 89 4.460 4.879 -2.835 1.00 0.00 C ATOM 1369 CD2 LEU A 89 2.564 6.307 -2.070 1.00 0.00 C ATOM 0 H LEU A 89 3.309 3.459 1.709 1.00 0.00 H new ATOM 0 HA LEU A 89 5.328 5.222 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.901 3.628 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.488 4.561 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 89 4.568 6.367 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.670 5.589 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.385 4.388 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.752 4.131 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.777 7.015 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.857 5.558 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.133 6.838 -1.221 1.00 0.00 H new ATOM 1381 N GLU A 90 4.528 7.351 1.555 1.00 0.00 N ATOM 1382 CA GLU A 90 4.071 8.651 2.035 1.00 0.00 C ATOM 1383 C GLU A 90 3.162 9.321 1.010 1.00 0.00 C ATOM 1384 O GLU A 90 3.352 9.168 -0.196 1.00 0.00 O ATOM 1385 CB GLU A 90 5.274 9.552 2.319 1.00 0.00 C ATOM 1386 CG GLU A 90 4.795 10.861 2.951 1.00 0.00 C ATOM 1387 CD GLU A 90 5.217 12.044 2.086 1.00 0.00 C ATOM 1388 OE1 GLU A 90 6.290 11.979 1.509 1.00 0.00 O ATOM 1389 OE2 GLU A 90 4.459 12.998 2.012 1.00 0.00 O ATOM 0 H GLU A 90 5.541 7.259 1.475 1.00 0.00 H new ATOM 0 HA GLU A 90 3.504 8.496 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.970 9.046 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.813 9.758 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.710 10.847 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.213 10.965 3.952 1.00 0.00 H new ATOM 1396 N ASP A 91 2.177 10.065 1.502 1.00 0.00 N ATOM 1397 CA ASP A 91 1.243 10.760 0.624 1.00 0.00 C ATOM 1398 C ASP A 91 0.339 9.766 -0.097 1.00 0.00 C ATOM 1399 O ASP A 91 -0.659 10.152 -0.707 1.00 0.00 O ATOM 1400 CB ASP A 91 2.015 11.591 -0.404 1.00 0.00 C ATOM 1401 CG ASP A 91 1.094 12.633 -1.030 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -0.090 12.600 -0.740 1.00 0.00 O ATOM 1403 OD2 ASP A 91 1.588 13.449 -1.790 1.00 0.00 O ATOM 0 H ASP A 91 2.005 10.202 2.498 1.00 0.00 H new ATOM 0 HA ASP A 91 0.623 11.418 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.861 12.083 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.421 10.940 -1.179 1.00 0.00 H new ATOM 1408 N GLY A 92 0.693 8.489 -0.026 1.00 0.00 N ATOM 1409 CA GLY A 92 -0.097 7.451 -0.678 1.00 0.00 C ATOM 1410 C GLY A 92 0.007 7.562 -2.195 1.00 0.00 C ATOM 1411 O GLY A 92 0.953 8.148 -2.721 1.00 0.00 O ATOM 0 H GLY A 92 1.515 8.148 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.249 6.469 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.140 7.537 -0.374 1.00 0.00 H new ATOM 1415 N ILE A 93 -0.973 6.999 -2.895 1.00 0.00 N ATOM 1416 CA ILE A 93 -0.980 7.044 -4.351 1.00 0.00 C ATOM 1417 C ILE A 93 -0.779 8.473 -4.844 1.00 0.00 C ATOM 1418 O ILE A 93 -0.211 8.697 -5.913 1.00 0.00 O ATOM 1419 CB ILE A 93 -2.305 6.499 -4.888 1.00 0.00 C ATOM 1420 CG1 ILE A 93 -2.470 6.915 -6.351 1.00 0.00 C ATOM 1421 CG2 ILE A 93 -3.463 7.065 -4.064 1.00 0.00 C ATOM 1422 CD1 ILE A 93 -3.145 5.786 -7.132 1.00 0.00 C ATOM 0 H ILE A 93 -1.766 6.510 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.160 6.426 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.306 5.411 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.068 7.824 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.497 7.142 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.406 6.676 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.346 6.770 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.463 8.153 -4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.262 6.084 -8.174 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.530 4.888 -7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.125 5.581 -6.701 1.00 0.00 H new ATOM 1434 N ASP A 94 -1.246 9.439 -4.057 1.00 0.00 N ATOM 1435 CA ASP A 94 -1.105 10.842 -4.427 1.00 0.00 C ATOM 1436 C ASP A 94 0.365 11.196 -4.616 1.00 0.00 C ATOM 1437 O ASP A 94 0.709 12.054 -5.430 1.00 0.00 O ATOM 1438 CB ASP A 94 -1.716 11.733 -3.344 1.00 0.00 C ATOM 1439 CG ASP A 94 -2.709 12.709 -3.967 1.00 0.00 C ATOM 1440 OD1 ASP A 94 -2.534 13.042 -5.127 1.00 0.00 O ATOM 1441 OD2 ASP A 94 -3.632 13.107 -3.275 1.00 0.00 O ATOM 0 H ASP A 94 -1.720 9.278 -3.169 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.631 11.008 -5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.218 11.118 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.929 12.283 -2.828 1.00 0.00 H new ATOM 1446 N GLY A 95 1.232 10.524 -3.863 1.00 0.00 N ATOM 1447 CA GLY A 95 2.666 10.768 -3.961 1.00 0.00 C ATOM 1448 C GLY A 95 3.218 10.202 -5.263 1.00 0.00 C ATOM 1449 O GLY A 95 3.768 10.934 -6.086 1.00 0.00 O ATOM 0 H GLY A 95 0.968 9.811 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.862 11.839 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.177 10.311 -3.114 1.00 0.00 H new ATOM 1453 N TRP A 96 3.059 8.896 -5.448 1.00 0.00 N ATOM 1454 CA TRP A 96 3.539 8.243 -6.660 1.00 0.00 C ATOM 1455 C TRP A 96 3.089 9.026 -7.889 1.00 0.00 C ATOM 1456 O TRP A 96 3.846 9.193 -8.845 1.00 0.00 O ATOM 1457 CB TRP A 96 2.998 6.814 -6.733 1.00 0.00 C ATOM 1458 CG TRP A 96 3.118 6.303 -8.134 1.00 0.00 C ATOM 1459 CD1 TRP A 96 2.308 6.649 -9.160 1.00 0.00 C ATOM 1460 CD2 TRP A 96 4.087 5.360 -8.678 1.00 0.00 C ATOM 1461 NE1 TRP A 96 2.718 5.979 -10.299 1.00 0.00 N ATOM 1462 CE2 TRP A 96 3.811 5.173 -10.052 1.00 0.00 C ATOM 1463 CE3 TRP A 96 5.169 4.657 -8.117 1.00 0.00 C ATOM 1464 CZ2 TRP A 96 4.580 4.318 -10.844 1.00 0.00 C ATOM 1465 CZ3 TRP A 96 5.945 3.796 -8.910 1.00 0.00 C ATOM 1466 CH2 TRP A 96 5.652 3.627 -10.271 1.00 0.00 C ATOM 0 H TRP A 96 2.605 8.273 -4.780 1.00 0.00 H new ATOM 0 HA TRP A 96 4.628 8.213 -6.635 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.553 6.169 -6.051 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.956 6.792 -6.415 1.00 0.00 H new ATOM 0 HD1 TRP A 96 1.477 7.336 -9.100 1.00 0.00 H new ATOM 0 HE1 TRP A 96 2.268 6.070 -11.210 1.00 0.00 H new ATOM 0 HE3 TRP A 96 5.404 4.780 -7.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 4.349 4.191 -11.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 6.773 3.261 -8.469 1.00 0.00 H new ATOM 0 HH2 TRP A 96 6.253 2.964 -10.876 1.00 0.00 H new ATOM 1477 N LYS A 97 1.851 9.507 -7.850 1.00 0.00 N ATOM 1478 CA LYS A 97 1.304 10.278 -8.960 1.00 0.00 C ATOM 1479 C LYS A 97 2.141 11.528 -9.204 1.00 0.00 C ATOM 1480 O LYS A 97 2.497 11.838 -10.342 1.00 0.00 O ATOM 1481 CB LYS A 97 -0.142 10.680 -8.652 1.00 0.00 C ATOM 1482 CG LYS A 97 -0.599 11.758 -9.637 1.00 0.00 C ATOM 1483 CD LYS A 97 -2.070 12.093 -9.383 1.00 0.00 C ATOM 1484 CE LYS A 97 -2.940 11.418 -10.445 1.00 0.00 C ATOM 1485 NZ LYS A 97 -2.681 12.048 -11.771 1.00 0.00 N ATOM 0 H LYS A 97 1.211 9.378 -7.067 1.00 0.00 H new ATOM 0 HA LYS A 97 1.326 9.659 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.794 9.810 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.216 11.052 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.013 12.653 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.466 11.409 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.364 11.756 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.218 13.173 -9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.719 10.351 -10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.994 11.515 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.551 12.027 -12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.380 13.034 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.931 11.523 -12.264 1.00 0.00 H new ATOM 1499 N ARG A 98 2.451 12.244 -8.129 1.00 0.00 N ATOM 1500 CA ARG A 98 3.245 13.463 -8.236 1.00 0.00 C ATOM 1501 C ARG A 98 4.733 13.131 -8.277 1.00 0.00 C ATOM 1502 O ARG A 98 5.553 13.952 -8.687 1.00 0.00 O ATOM 1503 CB ARG A 98 2.956 14.378 -7.044 1.00 0.00 C ATOM 1504 CG ARG A 98 3.566 15.758 -7.296 1.00 0.00 C ATOM 1505 CD ARG A 98 2.852 16.797 -6.429 1.00 0.00 C ATOM 1506 NE ARG A 98 1.550 17.120 -7.000 1.00 0.00 N ATOM 1507 CZ ARG A 98 0.770 18.045 -6.451 1.00 0.00 C ATOM 1508 NH1 ARG A 98 1.164 18.681 -5.382 1.00 0.00 N ATOM 1509 NH2 ARG A 98 -0.390 18.319 -6.982 1.00 0.00 N ATOM 0 H ARG A 98 2.167 12.004 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 98 2.973 13.973 -9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.880 14.467 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.371 13.947 -6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.631 15.745 -7.064 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.473 16.022 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.728 16.413 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.459 17.699 -6.356 1.00 0.00 H new ATOM 0 HE ARG A 98 1.233 16.628 -7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.071 18.468 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.565 19.391 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.698 17.823 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.989 19.029 -6.561 1.00 0.00 H new ATOM 1523 N ALA A 99 5.074 11.919 -7.851 1.00 0.00 N ATOM 1524 CA ALA A 99 6.466 11.487 -7.845 1.00 0.00 C ATOM 1525 C ALA A 99 7.042 11.515 -9.257 1.00 0.00 C ATOM 1526 O ALA A 99 8.233 11.276 -9.456 1.00 0.00 O ATOM 1527 CB ALA A 99 6.572 10.071 -7.277 1.00 0.00 C ATOM 0 H ALA A 99 4.411 11.224 -7.508 1.00 0.00 H new ATOM 0 HA ALA A 99 7.036 12.173 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.616 9.756 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.189 10.059 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.987 9.387 -7.893 1.00 0.00 H new ATOM 1533 N GLY A 100 6.190 11.810 -10.232 1.00 0.00 N ATOM 1534 CA GLY A 100 6.625 11.868 -11.623 1.00 0.00 C ATOM 1535 C GLY A 100 6.521 10.498 -12.285 1.00 0.00 C ATOM 1536 O GLY A 100 7.333 10.150 -13.143 1.00 0.00 O ATOM 0 H GLY A 100 5.201 12.012 -10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.015 12.587 -12.169 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.655 12.222 -11.671 1.00 0.00 H new ATOM 1540 N LEU A 101 5.516 9.726 -11.884 1.00 0.00 N ATOM 1541 CA LEU A 101 5.314 8.397 -12.448 1.00 0.00 C ATOM 1542 C LEU A 101 3.893 8.261 -12.988 1.00 0.00 C ATOM 1543 O LEU A 101 2.949 8.806 -12.413 1.00 0.00 O ATOM 1544 CB LEU A 101 5.562 7.331 -11.379 1.00 0.00 C ATOM 1545 CG LEU A 101 6.938 7.550 -10.748 1.00 0.00 C ATOM 1546 CD1 LEU A 101 7.042 6.740 -9.455 1.00 0.00 C ATOM 1547 CD2 LEU A 101 8.025 7.093 -11.724 1.00 0.00 C ATOM 0 H LEU A 101 4.833 9.996 -11.176 1.00 0.00 H new ATOM 0 HA LEU A 101 6.019 8.256 -13.267 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.787 7.381 -10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.508 6.337 -11.823 1.00 0.00 H new ATOM 0 HG LEU A 101 7.070 8.609 -10.525 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.023 6.896 -9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.268 7.064 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.909 5.681 -9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.006 7.249 -11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.892 6.034 -11.947 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.952 7.670 -12.646 1.00 0.00 H new ATOM 1559 N PRO A 102 3.723 7.553 -14.073 1.00 0.00 N ATOM 1560 CA PRO A 102 2.384 7.351 -14.699 1.00 0.00 C ATOM 1561 C PRO A 102 1.507 6.386 -13.903 1.00 0.00 C ATOM 1562 O PRO A 102 2.006 5.458 -13.266 1.00 0.00 O ATOM 1563 CB PRO A 102 2.716 6.775 -16.077 1.00 0.00 C ATOM 1564 CG PRO A 102 4.039 6.102 -15.915 1.00 0.00 C ATOM 1565 CD PRO A 102 4.788 6.867 -14.824 1.00 0.00 C ATOM 0 HA PRO A 102 1.811 8.277 -14.741 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.953 6.068 -16.402 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.764 7.561 -16.831 1.00 0.00 H new ATOM 0 HG2 PRO A 102 3.910 5.056 -15.636 1.00 0.00 H new ATOM 0 HG3 PRO A 102 4.598 6.116 -16.851 1.00 0.00 H new ATOM 0 HD2 PRO A 102 5.357 6.193 -14.184 1.00 0.00 H new ATOM 0 HD3 PRO A 102 5.497 7.577 -15.250 1.00 0.00 H new ATOM 1573 N VAL A 103 0.198 6.614 -13.948 1.00 0.00 N ATOM 1574 CA VAL A 103 -0.745 5.766 -13.235 1.00 0.00 C ATOM 1575 C VAL A 103 -1.596 4.981 -14.227 1.00 0.00 C ATOM 1576 O VAL A 103 -1.533 5.219 -15.433 1.00 0.00 O ATOM 1577 CB VAL A 103 -1.646 6.627 -12.351 1.00 0.00 C ATOM 1578 CG1 VAL A 103 -0.941 6.909 -11.023 1.00 0.00 C ATOM 1579 CG2 VAL A 103 -1.941 7.949 -13.061 1.00 0.00 C ATOM 0 H VAL A 103 -0.231 7.378 -14.470 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.190 5.065 -12.611 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.580 6.098 -12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.584 7.523 -10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.729 5.967 -10.516 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.007 7.438 -11.212 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.584 8.564 -12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.006 8.477 -13.251 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.444 7.749 -14.007 1.00 0.00 H new ATOM 1589 N ALA A 104 -2.389 4.042 -13.720 1.00 0.00 N ATOM 1590 CA ALA A 104 -3.236 3.234 -14.589 1.00 0.00 C ATOM 1591 C ALA A 104 -4.682 3.268 -14.114 1.00 0.00 C ATOM 1592 O ALA A 104 -4.975 2.952 -12.961 1.00 0.00 O ATOM 1593 CB ALA A 104 -2.737 1.789 -14.608 1.00 0.00 C ATOM 0 H ALA A 104 -2.463 3.824 -12.726 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.188 3.648 -15.596 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.375 1.192 -15.260 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.713 1.763 -14.980 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.767 1.381 -13.598 1.00 0.00 H new ATOM 1599 N VAL A 105 -5.584 3.648 -15.011 1.00 0.00 N ATOM 1600 CA VAL A 105 -6.999 3.713 -14.677 1.00 0.00 C ATOM 1601 C VAL A 105 -7.705 2.447 -15.140 1.00 0.00 C ATOM 1602 O VAL A 105 -7.453 1.953 -16.239 1.00 0.00 O ATOM 1603 CB VAL A 105 -7.642 4.924 -15.352 1.00 0.00 C ATOM 1604 CG1 VAL A 105 -9.069 5.102 -14.831 1.00 0.00 C ATOM 1605 CG2 VAL A 105 -6.823 6.177 -15.035 1.00 0.00 C ATOM 0 H VAL A 105 -5.361 3.914 -15.970 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.096 3.806 -13.595 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.667 4.768 -16.431 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.527 5.966 -15.313 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.652 4.209 -15.056 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.046 5.258 -13.752 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.280 7.042 -15.516 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.798 6.332 -13.956 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.806 6.051 -15.407 1.00 0.00 H new ATOM 1615 N ASN A 106 -8.590 1.922 -14.300 1.00 0.00 N ATOM 1616 CA ASN A 106 -9.318 0.714 -14.655 1.00 0.00 C ATOM 1617 C ASN A 106 -10.342 1.017 -15.744 1.00 0.00 C ATOM 1618 O ASN A 106 -11.352 1.674 -15.494 1.00 0.00 O ATOM 1619 CB ASN A 106 -10.024 0.147 -13.422 1.00 0.00 C ATOM 1620 CG ASN A 106 -9.906 -1.372 -13.406 1.00 0.00 C ATOM 1621 OD1 ASN A 106 -8.801 -1.910 -13.329 1.00 0.00 O ATOM 1622 ND2 ASN A 106 -10.986 -2.102 -13.477 1.00 0.00 N ATOM 0 H ASN A 106 -8.817 2.308 -13.383 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.610 -0.024 -15.032 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.583 0.564 -12.517 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.074 0.438 -13.428 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.915 -3.120 -13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -11.901 -1.655 -13.541 1.00 0.00 H new ATOM 1629 N LYS A 107 -10.069 0.536 -16.952 1.00 0.00 N ATOM 1630 CA LYS A 107 -10.971 0.763 -18.076 1.00 0.00 C ATOM 1631 C LYS A 107 -11.362 -0.559 -18.726 1.00 0.00 C ATOM 1632 O LYS A 107 -12.547 -0.768 -18.930 1.00 0.00 O ATOM 1633 CB LYS A 107 -10.295 1.664 -19.114 1.00 0.00 C ATOM 1634 CG LYS A 107 -11.336 2.158 -20.120 1.00 0.00 C ATOM 1635 CD LYS A 107 -10.721 3.246 -21.003 1.00 0.00 C ATOM 1636 CE LYS A 107 -9.512 2.677 -21.749 1.00 0.00 C ATOM 1637 NZ LYS A 107 -9.411 3.317 -23.090 1.00 0.00 N ATOM 1638 OXT LYS A 107 -10.473 -1.343 -19.012 1.00 0.00 O ATOM 0 H LYS A 107 -9.237 -0.009 -17.178 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.871 1.250 -17.702 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.820 2.512 -18.620 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.508 1.114 -19.630 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.683 1.329 -20.736 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -12.206 2.551 -19.595 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.461 3.613 -21.715 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.417 4.096 -20.392 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.601 2.857 -21.178 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.612 1.597 -21.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.590 2.931 -23.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.276 3.123 -23.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.296 4.344 -22.977 1.00 0.00 H new