USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 955 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 31 ASN : amide:sc= -7.2! C(o=-7!,f=-13!) USER MOD Set 1.2: A 82 SER OG : rot -150:sc= 0.159 USER MOD Set 2.1: A 62 SER OG : rot -90:sc= -0.451 USER MOD Set 2.2: A 64 GLN : amide:sc= -3.74 X(o=-4.2,f=-4.4!) USER MOD Set 3.1: A 42 THR OG1 : rot -69:sc= 2.18 USER MOD Set 3.2: A 45 SER OG : rot 132:sc= 0.855 USER MOD Set 4.1: A 33 HIS : no HE2:sc= -7.35! C(o=-14!,f=-31!) USER MOD Set 4.2: A 49 ASN : amide:sc= -7.01! C(o=-14!,f=-21!) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -11:sc= 0.439 USER MOD Single : A 5 GLN : amide:sc=-0.00651 K(o=-0.0065,f=-3.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.409 F(o=-3.6!,f=-0.41) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 44:sc= -3.86! USER MOD Single : A 38 ASN :FLIP amide:sc= -1.23 F(o=-1.8!,f=-1.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0737) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -3.03 F(o=-6.4!,f=-3) USER MOD Single : A 54 SER OG : rot -72:sc= 0.998 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0156) USER MOD Single : A 84 CYS SG : rot 160:sc= -0.2 USER MOD Single : A 92 SER OG : rot 180:sc= -0.536 USER MOD Single : A 95 ASN : amide:sc=-0.00375 K(o=-0.0038,f=-1.6!) USER MOD Single : A 96 SER OG : rot 103:sc= 0.0411 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.663 K(o=0.66,f=-0.21) USER MOD Single : A 107 MET CE :methyl 140:sc= -6.32! (180deg=-9.39!) USER MOD Single : A 108 HIS : no HD1:sc= -9.09! C(o=-9.1!,f=-12!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 8.115 -14.101 2.514 1.00 0.00 N ATOM 2 CA PHE A 1 8.288 -13.169 1.362 1.00 0.00 C ATOM 3 C PHE A 1 9.210 -12.011 1.752 1.00 0.00 C ATOM 4 O PHE A 1 9.761 -11.982 2.834 1.00 0.00 O ATOM 5 CB PHE A 1 6.881 -12.653 1.055 1.00 0.00 C ATOM 6 CG PHE A 1 6.530 -12.975 -0.378 1.00 0.00 C ATOM 7 CD1 PHE A 1 6.225 -14.291 -0.744 1.00 0.00 C ATOM 8 CD2 PHE A 1 6.510 -11.959 -1.340 1.00 0.00 C ATOM 9 CE1 PHE A 1 5.900 -14.591 -2.072 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.184 -12.258 -2.669 1.00 0.00 C ATOM 11 CZ PHE A 1 5.880 -13.575 -3.034 1.00 0.00 C ATOM 0 H1 PHE A 1 7.487 -14.883 2.237 1.00 0.00 H new ATOM 0 H2 PHE A 1 9.041 -14.483 2.794 1.00 0.00 H new ATOM 0 H3 PHE A 1 7.696 -13.588 3.316 1.00 0.00 H new ATOM 0 HA PHE A 1 8.740 -13.659 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 1 6.158 -13.112 1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 1 6.832 -11.577 1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 1 6.240 -15.075 -0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 1 6.746 -10.944 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 1 5.665 -15.607 -2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.167 -11.474 -3.411 1.00 0.00 H new ATOM 0 HZ PHE A 1 5.630 -13.807 -4.059 1.00 0.00 H new ATOM 23 N THR A 2 9.381 -11.056 0.879 1.00 0.00 N ATOM 24 CA THR A 2 10.267 -9.901 1.202 1.00 0.00 C ATOM 25 C THR A 2 10.060 -8.773 0.189 1.00 0.00 C ATOM 26 O THR A 2 10.957 -8.420 -0.551 1.00 0.00 O ATOM 27 CB THR A 2 11.689 -10.453 1.107 1.00 0.00 C ATOM 28 OG1 THR A 2 11.932 -11.323 2.204 1.00 0.00 O ATOM 29 CG2 THR A 2 12.690 -9.296 1.139 1.00 0.00 C ATOM 0 H THR A 2 8.946 -11.025 -0.043 1.00 0.00 H new ATOM 0 HA THR A 2 10.057 -9.484 2.187 1.00 0.00 H new ATOM 0 HB THR A 2 11.804 -11.004 0.174 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.208 -11.235 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.704 -9.690 1.071 1.00 0.00 H new ATOM 0 HG22 THR A 2 12.503 -8.629 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.577 -8.743 2.072 1.00 0.00 H new ATOM 37 N ILE A 3 8.887 -8.204 0.152 1.00 0.00 N ATOM 38 CA ILE A 3 8.626 -7.096 -0.809 1.00 0.00 C ATOM 39 C ILE A 3 9.029 -5.758 -0.185 1.00 0.00 C ATOM 40 O ILE A 3 9.201 -4.768 -0.868 1.00 0.00 O ATOM 41 CB ILE A 3 7.120 -7.141 -1.065 1.00 0.00 C ATOM 42 CG1 ILE A 3 6.794 -8.333 -1.968 1.00 0.00 C ATOM 43 CG2 ILE A 3 6.676 -5.849 -1.752 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.339 -8.753 -1.756 1.00 0.00 C ATOM 0 H ILE A 3 8.098 -8.458 0.746 1.00 0.00 H new ATOM 0 HA ILE A 3 9.196 -7.201 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 3 6.595 -7.245 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.958 -8.067 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.460 -9.166 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.602 -5.884 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.908 -4.998 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.201 -5.743 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.108 -9.602 -2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.190 -9.036 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.680 -7.920 -2.003 1.00 0.00 H new ATOM 56 N ALA A 4 9.186 -5.727 1.109 1.00 0.00 N ATOM 57 CA ALA A 4 9.582 -4.460 1.786 1.00 0.00 C ATOM 58 C ALA A 4 10.863 -4.680 2.596 1.00 0.00 C ATOM 59 O ALA A 4 10.894 -5.468 3.520 1.00 0.00 O ATOM 60 CB ALA A 4 8.413 -4.124 2.710 1.00 0.00 C ATOM 0 H ALA A 4 9.057 -6.527 1.729 1.00 0.00 H new ATOM 0 HA ALA A 4 9.784 -3.655 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.628 -3.200 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.506 -3.998 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.270 -4.934 3.425 1.00 0.00 H new ATOM 66 N GLN A 5 11.919 -3.997 2.255 1.00 0.00 N ATOM 67 CA GLN A 5 13.196 -4.174 3.006 1.00 0.00 C ATOM 68 C GLN A 5 13.417 -3.007 3.972 1.00 0.00 C ATOM 69 O GLN A 5 14.117 -2.062 3.667 1.00 0.00 O ATOM 70 CB GLN A 5 14.285 -4.195 1.932 1.00 0.00 C ATOM 71 CG GLN A 5 13.965 -5.277 0.900 1.00 0.00 C ATOM 72 CD GLN A 5 13.539 -4.621 -0.413 1.00 0.00 C ATOM 73 OE1 GLN A 5 12.991 -3.536 -0.414 1.00 0.00 O ATOM 74 NE2 GLN A 5 13.768 -5.236 -1.541 1.00 0.00 N ATOM 0 H GLN A 5 11.955 -3.324 1.490 1.00 0.00 H new ATOM 0 HA GLN A 5 13.196 -5.083 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.349 -3.222 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.256 -4.388 2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.839 -5.908 0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.169 -5.924 1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.228 -6.146 -1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.487 -4.806 -2.422 1.00 0.00 H new ATOM 83 N GLY A 6 12.831 -3.065 5.137 1.00 0.00 N ATOM 84 CA GLY A 6 13.017 -1.959 6.118 1.00 0.00 C ATOM 85 C GLY A 6 11.660 -1.514 6.665 1.00 0.00 C ATOM 86 O GLY A 6 11.578 -0.670 7.536 1.00 0.00 O ATOM 0 H GLY A 6 12.233 -3.829 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.657 -2.290 6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.520 -1.118 5.640 1.00 0.00 H new ATOM 90 N LYS A 7 10.592 -2.068 6.162 1.00 0.00 N ATOM 91 CA LYS A 7 9.244 -1.667 6.657 1.00 0.00 C ATOM 92 C LYS A 7 8.805 -2.577 7.807 1.00 0.00 C ATOM 93 O LYS A 7 8.498 -3.737 7.611 1.00 0.00 O ATOM 94 CB LYS A 7 8.312 -1.837 5.457 1.00 0.00 C ATOM 95 CG LYS A 7 7.914 -0.462 4.918 1.00 0.00 C ATOM 96 CD LYS A 7 9.170 0.383 4.689 1.00 0.00 C ATOM 97 CE LYS A 7 10.150 -0.387 3.802 1.00 0.00 C ATOM 98 NZ LYS A 7 10.694 0.629 2.858 1.00 0.00 N ATOM 0 H LYS A 7 10.593 -2.780 5.431 1.00 0.00 H new ATOM 0 HA LYS A 7 9.236 -0.646 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.808 -2.415 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.423 -2.395 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.362 -0.572 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.250 0.038 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.903 1.329 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.639 0.623 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.945 -0.842 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.649 -1.194 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.375 0.176 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.916 1.040 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.171 1.381 3.395 1.00 0.00 H new ATOM 112 N GLY A 8 8.768 -2.060 9.005 1.00 0.00 N ATOM 113 CA GLY A 8 8.344 -2.895 10.163 1.00 0.00 C ATOM 114 C GLY A 8 6.874 -3.282 9.997 1.00 0.00 C ATOM 115 O GLY A 8 6.355 -4.118 10.712 1.00 0.00 O ATOM 0 H GLY A 8 9.013 -1.096 9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.963 -3.790 10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.484 -2.345 11.093 1.00 0.00 H new ATOM 119 N GLN A 9 6.195 -2.682 9.056 1.00 0.00 N ATOM 120 CA GLN A 9 4.760 -3.016 8.841 1.00 0.00 C ATOM 121 C GLN A 9 4.501 -3.307 7.361 1.00 0.00 C ATOM 122 O GLN A 9 3.693 -4.143 7.021 1.00 0.00 O ATOM 123 CB GLN A 9 3.992 -1.773 9.289 1.00 0.00 C ATOM 124 CG GLN A 9 3.995 -1.696 10.817 1.00 0.00 C ATOM 125 CD GLN A 9 3.952 -0.232 11.252 1.00 0.00 C ATOM 126 OE1 GLN A 9 3.244 0.619 10.562 1.00 0.00 O flip ATOM 127 NE2 GLN A 9 4.571 0.144 12.228 1.00 0.00 N flip ATOM 0 H GLN A 9 6.574 -1.974 8.427 1.00 0.00 H new ATOM 0 HA GLN A 9 4.454 -3.903 9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.450 -0.878 8.868 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.968 -1.812 8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.136 -2.232 11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.888 -2.179 11.215 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.125 -0.521 12.768 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.537 1.124 12.507 1.00 0.00 H new ATOM 136 N LYS A 10 5.191 -2.622 6.486 1.00 0.00 N ATOM 137 CA LYS A 10 5.007 -2.842 5.017 1.00 0.00 C ATOM 138 C LYS A 10 3.543 -3.153 4.674 1.00 0.00 C ATOM 139 O LYS A 10 3.256 -3.854 3.724 1.00 0.00 O ATOM 140 CB LYS A 10 5.927 -4.026 4.673 1.00 0.00 C ATOM 141 CG LYS A 10 5.157 -5.350 4.732 1.00 0.00 C ATOM 142 CD LYS A 10 6.083 -6.465 5.229 1.00 0.00 C ATOM 143 CE LYS A 10 6.488 -6.192 6.681 1.00 0.00 C ATOM 144 NZ LYS A 10 7.316 -7.365 7.079 1.00 0.00 N ATOM 0 H LYS A 10 5.882 -1.912 6.728 1.00 0.00 H new ATOM 0 HA LYS A 10 5.258 -1.952 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.347 -3.888 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.764 -4.056 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.299 -5.253 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.768 -5.600 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.579 -7.429 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.970 -6.522 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.053 -5.264 6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.612 -6.091 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.631 -7.250 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.750 -8.234 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.146 -7.432 6.456 1.00 0.00 H new ATOM 158 N LEU A 11 2.616 -2.631 5.428 1.00 0.00 N ATOM 159 CA LEU A 11 1.174 -2.892 5.131 1.00 0.00 C ATOM 160 C LEU A 11 0.808 -4.349 5.434 1.00 0.00 C ATOM 161 O LEU A 11 -0.214 -4.841 4.999 1.00 0.00 O ATOM 162 CB LEU A 11 1.011 -2.604 3.638 1.00 0.00 C ATOM 163 CG LEU A 11 -0.144 -1.621 3.427 1.00 0.00 C ATOM 164 CD1 LEU A 11 -0.412 -1.461 1.930 1.00 0.00 C ATOM 165 CD2 LEU A 11 -1.405 -2.151 4.112 1.00 0.00 C ATOM 0 H LEU A 11 2.791 -2.035 6.237 1.00 0.00 H new ATOM 0 HA LEU A 11 0.520 -2.271 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.934 -2.188 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.816 -3.531 3.098 1.00 0.00 H new ATOM 0 HG LEU A 11 0.124 -0.656 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.234 -0.761 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.483 -1.079 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.676 -2.428 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.224 -1.449 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.672 -3.118 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.219 -2.265 5.180 1.00 0.00 H new ATOM 177 N CYS A 12 1.625 -5.042 6.176 1.00 0.00 N ATOM 178 CA CYS A 12 1.312 -6.464 6.501 1.00 0.00 C ATOM 179 C CYS A 12 1.250 -6.660 8.018 1.00 0.00 C ATOM 180 O CYS A 12 0.413 -7.378 8.528 1.00 0.00 O ATOM 181 CB CYS A 12 2.462 -7.273 5.900 1.00 0.00 C ATOM 182 SG CYS A 12 2.327 -8.998 6.430 1.00 0.00 S ATOM 0 H CYS A 12 2.496 -4.687 6.572 1.00 0.00 H new ATOM 0 HA CYS A 12 0.346 -6.774 6.103 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.434 -7.212 4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.418 -6.857 6.218 1.00 0.00 H new ATOM 0 HG CYS A 12 3.303 -9.687 5.918 1.00 0.00 H new ATOM 188 N GLU A 13 2.131 -6.026 8.746 1.00 0.00 N ATOM 189 CA GLU A 13 2.119 -6.177 10.230 1.00 0.00 C ATOM 190 C GLU A 13 0.882 -5.496 10.819 1.00 0.00 C ATOM 191 O GLU A 13 0.155 -6.079 11.600 1.00 0.00 O ATOM 192 CB GLU A 13 3.395 -5.486 10.711 1.00 0.00 C ATOM 193 CG GLU A 13 3.784 -6.027 12.089 1.00 0.00 C ATOM 194 CD GLU A 13 4.716 -7.229 11.921 1.00 0.00 C ATOM 195 OE1 GLU A 13 5.552 -7.186 11.033 1.00 0.00 O ATOM 196 OE2 GLU A 13 4.578 -8.171 12.683 1.00 0.00 O ATOM 0 H GLU A 13 2.857 -5.411 8.378 1.00 0.00 H new ATOM 0 HA GLU A 13 2.083 -7.222 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.203 -5.658 10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.240 -4.408 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.278 -5.249 12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.891 -6.320 12.642 1.00 0.00 H new ATOM 203 N ILE A 14 0.637 -4.266 10.451 1.00 0.00 N ATOM 204 CA ILE A 14 -0.556 -3.549 10.988 1.00 0.00 C ATOM 205 C ILE A 14 -1.764 -4.489 11.019 1.00 0.00 C ATOM 206 O ILE A 14 -2.400 -4.736 10.013 1.00 0.00 O ATOM 207 CB ILE A 14 -0.799 -2.396 10.013 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.817 -2.934 8.579 1.00 0.00 C ATOM 209 CG2 ILE A 14 0.316 -1.361 10.158 1.00 0.00 C ATOM 210 CD1 ILE A 14 -0.759 -1.764 7.593 1.00 0.00 C ATOM 0 H ILE A 14 1.211 -3.728 9.802 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.401 -3.194 12.007 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.758 -1.928 10.236 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.030 -3.601 8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.720 -3.521 8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.142 -0.539 9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.326 -0.977 11.178 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.276 -1.827 9.936 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.772 -2.147 6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.621 -1.115 7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.157 -1.196 7.756 1.00 0.00 H new ATOM 222 N GLU A 15 -2.077 -5.024 12.168 1.00 0.00 N ATOM 223 CA GLU A 15 -3.236 -5.958 12.268 1.00 0.00 C ATOM 224 C GLU A 15 -4.535 -5.259 11.859 1.00 0.00 C ATOM 225 O GLU A 15 -5.396 -5.848 11.238 1.00 0.00 O ATOM 226 CB GLU A 15 -3.289 -6.366 13.740 1.00 0.00 C ATOM 227 CG GLU A 15 -2.050 -7.195 14.086 1.00 0.00 C ATOM 228 CD GLU A 15 -2.483 -8.533 14.690 1.00 0.00 C ATOM 229 OE1 GLU A 15 -2.760 -9.443 13.926 1.00 0.00 O ATOM 230 OE2 GLU A 15 -2.528 -8.626 15.906 1.00 0.00 O ATOM 0 H GLU A 15 -1.580 -4.855 13.043 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.124 -6.817 11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.334 -5.479 14.372 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.192 -6.944 13.936 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.451 -7.365 13.191 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.421 -6.652 14.792 1.00 0.00 H new ATOM 237 N ARG A 16 -4.689 -4.010 12.206 1.00 0.00 N ATOM 238 CA ARG A 16 -5.941 -3.286 11.834 1.00 0.00 C ATOM 239 C ARG A 16 -6.021 -3.096 10.317 1.00 0.00 C ATOM 240 O ARG A 16 -6.970 -3.509 9.678 1.00 0.00 O ATOM 241 CB ARG A 16 -5.838 -1.932 12.538 1.00 0.00 C ATOM 242 CG ARG A 16 -7.244 -1.392 12.810 1.00 0.00 C ATOM 243 CD ARG A 16 -7.770 -1.976 14.123 1.00 0.00 C ATOM 244 NE ARG A 16 -7.224 -1.086 15.185 1.00 0.00 N ATOM 245 CZ ARG A 16 -6.998 -1.559 16.380 1.00 0.00 C ATOM 246 NH1 ARG A 16 -6.417 -2.718 16.524 1.00 0.00 N ATOM 247 NH2 ARG A 16 -7.354 -0.872 17.431 1.00 0.00 N ATOM 0 H ARG A 16 -4.007 -3.461 12.728 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.835 -3.835 12.129 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.290 -2.037 13.474 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.280 -1.229 11.919 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.222 -0.304 12.867 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.911 -1.655 11.989 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.860 -1.989 14.141 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.436 -3.005 14.260 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.027 -0.107 14.978 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.139 -3.255 15.702 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.240 -3.087 17.458 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.809 0.034 17.318 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.178 -1.241 18.365 1.00 0.00 H new ATOM 261 N ILE A 17 -5.034 -2.472 9.736 1.00 0.00 N ATOM 262 CA ILE A 17 -5.055 -2.252 8.261 1.00 0.00 C ATOM 263 C ILE A 17 -5.023 -3.595 7.523 1.00 0.00 C ATOM 264 O ILE A 17 -5.843 -3.865 6.666 1.00 0.00 O ATOM 265 CB ILE A 17 -3.791 -1.440 7.968 1.00 0.00 C ATOM 266 CG1 ILE A 17 -3.951 -0.028 8.539 1.00 0.00 C ATOM 267 CG2 ILE A 17 -3.573 -1.351 6.457 1.00 0.00 C ATOM 268 CD1 ILE A 17 -2.931 0.194 9.657 1.00 0.00 C ATOM 0 H ILE A 17 -4.214 -2.105 10.218 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.956 -1.736 7.930 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.933 -1.930 8.429 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.808 0.712 7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.962 0.107 8.924 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.672 -0.772 6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.461 -2.354 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.431 -0.863 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.047 1.200 10.061 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.095 -0.537 10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.923 0.078 9.258 1.00 0.00 H new ATOM 280 N HIS A 18 -4.086 -4.443 7.850 1.00 0.00 N ATOM 281 CA HIS A 18 -4.008 -5.767 7.167 1.00 0.00 C ATOM 282 C HIS A 18 -5.314 -6.539 7.365 1.00 0.00 C ATOM 283 O HIS A 18 -5.794 -7.206 6.470 1.00 0.00 O ATOM 284 CB HIS A 18 -2.848 -6.498 7.842 1.00 0.00 C ATOM 285 CG HIS A 18 -2.719 -7.877 7.255 1.00 0.00 C ATOM 286 ND1 HIS A 18 -2.641 -8.095 5.889 1.00 0.00 N ATOM 287 CD2 HIS A 18 -2.656 -9.118 7.837 1.00 0.00 C ATOM 288 CE1 HIS A 18 -2.535 -9.423 5.695 1.00 0.00 C ATOM 289 NE2 HIS A 18 -2.540 -10.093 6.850 1.00 0.00 N ATOM 0 H HIS A 18 -3.372 -4.277 8.559 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.855 -5.667 6.092 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.921 -5.942 7.700 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.020 -6.562 8.916 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.691 -9.309 8.899 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.456 -9.889 4.724 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.473 -11.102 6.981 1.00 0.00 H new ATOM 297 N PHE A 19 -5.897 -6.449 8.529 1.00 0.00 N ATOM 298 CA PHE A 19 -7.174 -7.174 8.778 1.00 0.00 C ATOM 299 C PHE A 19 -8.197 -6.801 7.701 1.00 0.00 C ATOM 300 O PHE A 19 -8.536 -7.598 6.848 1.00 0.00 O ATOM 301 CB PHE A 19 -7.628 -6.702 10.168 1.00 0.00 C ATOM 302 CG PHE A 19 -9.137 -6.738 10.262 1.00 0.00 C ATOM 303 CD1 PHE A 19 -9.812 -7.964 10.246 1.00 0.00 C ATOM 304 CD2 PHE A 19 -9.857 -5.543 10.357 1.00 0.00 C ATOM 305 CE1 PHE A 19 -11.209 -7.994 10.325 1.00 0.00 C ATOM 306 CE2 PHE A 19 -11.253 -5.572 10.435 1.00 0.00 C ATOM 307 CZ PHE A 19 -11.930 -6.797 10.418 1.00 0.00 C ATOM 0 H PHE A 19 -5.545 -5.906 9.317 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.063 -8.258 8.742 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.193 -7.340 10.937 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.268 -5.690 10.352 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.255 -8.886 10.173 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.335 -4.598 10.370 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.731 -8.940 10.314 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.809 -4.649 10.508 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.008 -6.819 10.477 1.00 0.00 H new ATOM 317 N PHE A 20 -8.693 -5.594 7.738 1.00 0.00 N ATOM 318 CA PHE A 20 -9.696 -5.166 6.722 1.00 0.00 C ATOM 319 C PHE A 20 -9.288 -5.667 5.334 1.00 0.00 C ATOM 320 O PHE A 20 -10.118 -5.883 4.474 1.00 0.00 O ATOM 321 CB PHE A 20 -9.676 -3.638 6.768 1.00 0.00 C ATOM 322 CG PHE A 20 -11.092 -3.119 6.852 1.00 0.00 C ATOM 323 CD1 PHE A 20 -12.000 -3.392 5.821 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.496 -2.365 7.961 1.00 0.00 C ATOM 325 CE1 PHE A 20 -13.313 -2.910 5.900 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.808 -1.883 8.039 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.716 -2.156 7.009 1.00 0.00 C ATOM 0 H PHE A 20 -8.446 -4.885 8.429 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.689 -5.567 6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.100 -3.297 7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.185 -3.243 5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.688 -3.974 4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.795 -2.155 8.756 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.014 -3.120 5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.120 -1.301 8.894 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.728 -1.785 7.070 1.00 0.00 H new ATOM 337 N LEU A 21 -8.016 -5.856 5.113 1.00 0.00 N ATOM 338 CA LEU A 21 -7.559 -6.344 3.780 1.00 0.00 C ATOM 339 C LEU A 21 -7.762 -7.859 3.673 1.00 0.00 C ATOM 340 O LEU A 21 -7.972 -8.392 2.601 1.00 0.00 O ATOM 341 CB LEU A 21 -6.071 -5.996 3.718 1.00 0.00 C ATOM 342 CG LEU A 21 -5.880 -4.707 2.916 1.00 0.00 C ATOM 343 CD1 LEU A 21 -6.544 -4.853 1.547 1.00 0.00 C ATOM 344 CD2 LEU A 21 -6.519 -3.538 3.669 1.00 0.00 C ATOM 0 H LEU A 21 -7.275 -5.694 5.795 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.117 -5.890 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.674 -5.872 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.515 -6.811 3.254 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.815 -4.517 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.407 -3.934 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.090 -5.685 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.609 -5.044 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.383 -2.620 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.584 -3.729 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.046 -3.432 4.645 1.00 0.00 H new ATOM 356 N SER A 22 -7.701 -8.557 4.773 1.00 0.00 N ATOM 357 CA SER A 22 -7.891 -10.034 4.730 1.00 0.00 C ATOM 358 C SER A 22 -9.342 -10.370 4.377 1.00 0.00 C ATOM 359 O SER A 22 -10.039 -11.026 5.125 1.00 0.00 O ATOM 360 CB SER A 22 -7.553 -10.519 6.139 1.00 0.00 C ATOM 361 OG SER A 22 -6.228 -11.035 6.152 1.00 0.00 O ATOM 0 H SER A 22 -7.528 -8.168 5.700 1.00 0.00 H new ATOM 0 HA SER A 22 -7.264 -10.510 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.643 -9.698 6.850 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.259 -11.289 6.450 1.00 0.00 H new ATOM 0 HG SER A 22 -6.007 -11.346 7.055 1.00 0.00 H new ATOM 367 N LYS A 23 -9.803 -9.922 3.240 1.00 0.00 N ATOM 368 CA LYS A 23 -11.209 -10.212 2.837 1.00 0.00 C ATOM 369 C LYS A 23 -11.228 -10.971 1.508 1.00 0.00 C ATOM 370 O LYS A 23 -12.147 -11.710 1.216 1.00 0.00 O ATOM 371 CB LYS A 23 -11.868 -8.841 2.684 1.00 0.00 C ATOM 372 CG LYS A 23 -12.060 -8.211 4.066 1.00 0.00 C ATOM 373 CD LYS A 23 -13.421 -8.624 4.631 1.00 0.00 C ATOM 374 CE LYS A 23 -13.835 -7.644 5.732 1.00 0.00 C ATOM 375 NZ LYS A 23 -14.833 -6.743 5.090 1.00 0.00 N ATOM 0 H LYS A 23 -9.266 -9.368 2.573 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.730 -10.833 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.249 -8.195 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.830 -8.942 2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.263 -8.532 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.999 -7.125 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.168 -8.633 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.369 -9.636 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.267 -8.168 6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.978 -7.083 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.164 -6.042 5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.392 -6.253 4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.641 -7.304 4.752 1.00 0.00 H new ATOM 389 N LYS A 24 -10.217 -10.795 0.700 1.00 0.00 N ATOM 390 CA LYS A 24 -10.175 -11.509 -0.609 1.00 0.00 C ATOM 391 C LYS A 24 -11.286 -10.997 -1.530 1.00 0.00 C ATOM 392 O LYS A 24 -12.446 -11.311 -1.351 1.00 0.00 O ATOM 393 CB LYS A 24 -10.398 -12.981 -0.267 1.00 0.00 C ATOM 394 CG LYS A 24 -9.291 -13.828 -0.896 1.00 0.00 C ATOM 395 CD LYS A 24 -8.370 -14.360 0.205 1.00 0.00 C ATOM 396 CE LYS A 24 -9.081 -15.480 0.967 1.00 0.00 C ATOM 397 NZ LYS A 24 -8.147 -15.847 2.068 1.00 0.00 N ATOM 0 H LYS A 24 -9.419 -10.188 0.889 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.232 -11.351 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.403 -13.117 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.371 -13.306 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.725 -14.657 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.720 -13.230 -1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.443 -14.733 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.100 -13.555 0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.041 -15.144 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.282 -16.333 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.564 -16.611 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.244 -16.169 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.979 -15.017 2.672 1.00 0.00 H new ATOM 411 N LYS A 25 -10.941 -10.216 -2.515 1.00 0.00 N ATOM 412 CA LYS A 25 -11.976 -9.690 -3.448 1.00 0.00 C ATOM 413 C LYS A 25 -11.487 -9.805 -4.894 1.00 0.00 C ATOM 414 O LYS A 25 -10.411 -10.304 -5.158 1.00 0.00 O ATOM 415 CB LYS A 25 -12.154 -8.222 -3.057 1.00 0.00 C ATOM 416 CG LYS A 25 -13.633 -7.842 -3.156 1.00 0.00 C ATOM 417 CD LYS A 25 -14.325 -8.127 -1.821 1.00 0.00 C ATOM 418 CE LYS A 25 -14.627 -6.807 -1.108 1.00 0.00 C ATOM 419 NZ LYS A 25 -14.258 -7.045 0.315 1.00 0.00 N ATOM 0 H LYS A 25 -9.986 -9.919 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.912 -10.244 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.793 -8.059 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.560 -7.586 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.732 -6.787 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.112 -8.409 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.249 -8.681 -1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.688 -8.752 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.049 -5.987 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.679 -6.538 -1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.437 -6.183 0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.829 -7.826 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.250 -7.292 0.376 1.00 0.00 H new ATOM 433 N THR A 26 -12.268 -9.344 -5.830 1.00 0.00 N ATOM 434 CA THR A 26 -11.848 -9.423 -7.259 1.00 0.00 C ATOM 435 C THR A 26 -11.641 -8.016 -7.822 1.00 0.00 C ATOM 436 O THR A 26 -10.564 -7.662 -8.258 1.00 0.00 O ATOM 437 CB THR A 26 -13.005 -10.123 -7.975 1.00 0.00 C ATOM 438 OG1 THR A 26 -13.354 -11.303 -7.266 1.00 0.00 O ATOM 439 CG2 THR A 26 -12.582 -10.486 -9.398 1.00 0.00 C ATOM 0 H THR A 26 -13.179 -8.916 -5.669 1.00 0.00 H new ATOM 0 HA THR A 26 -10.908 -9.960 -7.386 1.00 0.00 H new ATOM 0 HB THR A 26 -13.866 -9.455 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.096 -11.752 -7.723 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.407 -10.985 -9.907 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.316 -9.579 -9.941 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.721 -11.154 -9.363 1.00 0.00 H new ATOM 447 N ASP A 27 -12.667 -7.209 -7.812 1.00 0.00 N ATOM 448 CA ASP A 27 -12.531 -5.823 -8.343 1.00 0.00 C ATOM 449 C ASP A 27 -11.520 -5.035 -7.504 1.00 0.00 C ATOM 450 O ASP A 27 -10.609 -4.424 -8.025 1.00 0.00 O ATOM 451 CB ASP A 27 -13.927 -5.214 -8.216 1.00 0.00 C ATOM 452 CG ASP A 27 -14.843 -5.809 -9.287 1.00 0.00 C ATOM 453 OD1 ASP A 27 -14.325 -6.282 -10.287 1.00 0.00 O ATOM 454 OD2 ASP A 27 -16.046 -5.781 -9.092 1.00 0.00 O ATOM 0 H ASP A 27 -13.593 -7.450 -7.459 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.172 -5.805 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.333 -5.412 -7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.874 -4.131 -8.328 1.00 0.00 H new ATOM 459 N GLU A 28 -11.673 -5.050 -6.208 1.00 0.00 N ATOM 460 CA GLU A 28 -10.719 -4.307 -5.336 1.00 0.00 C ATOM 461 C GLU A 28 -9.289 -4.785 -5.597 1.00 0.00 C ATOM 462 O GLU A 28 -8.428 -4.020 -5.988 1.00 0.00 O ATOM 463 CB GLU A 28 -11.142 -4.649 -3.907 1.00 0.00 C ATOM 464 CG GLU A 28 -11.815 -3.434 -3.264 1.00 0.00 C ATOM 465 CD GLU A 28 -13.285 -3.384 -3.683 1.00 0.00 C ATOM 466 OE1 GLU A 28 -13.916 -4.428 -3.681 1.00 0.00 O ATOM 467 OE2 GLU A 28 -13.754 -2.304 -3.998 1.00 0.00 O ATOM 0 H GLU A 28 -12.417 -5.544 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.738 -3.233 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.828 -5.496 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.272 -4.948 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.737 -3.494 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.307 -2.519 -3.570 1.00 0.00 H new ATOM 474 N LEU A 29 -9.033 -6.046 -5.386 1.00 0.00 N ATOM 475 CA LEU A 29 -7.662 -6.582 -5.622 1.00 0.00 C ATOM 476 C LEU A 29 -7.190 -6.227 -7.034 1.00 0.00 C ATOM 477 O LEU A 29 -6.017 -6.015 -7.271 1.00 0.00 O ATOM 478 CB LEU A 29 -7.805 -8.097 -5.477 1.00 0.00 C ATOM 479 CG LEU A 29 -6.837 -8.605 -4.409 1.00 0.00 C ATOM 480 CD1 LEU A 29 -5.437 -8.052 -4.679 1.00 0.00 C ATOM 481 CD2 LEU A 29 -7.312 -8.140 -3.031 1.00 0.00 C ATOM 0 H LEU A 29 -9.715 -6.730 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.931 -6.168 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.829 -8.351 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.599 -8.584 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.806 -9.694 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.749 -8.416 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.098 -8.383 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.465 -6.963 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.623 -8.501 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.343 -7.051 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.309 -8.536 -2.837 1.00 0.00 H new ATOM 493 N ARG A 30 -8.094 -6.166 -7.973 1.00 0.00 N ATOM 494 CA ARG A 30 -7.696 -5.832 -9.369 1.00 0.00 C ATOM 495 C ARG A 30 -7.002 -4.467 -9.417 1.00 0.00 C ATOM 496 O ARG A 30 -5.815 -4.376 -9.644 1.00 0.00 O ATOM 497 CB ARG A 30 -9.005 -5.801 -10.160 1.00 0.00 C ATOM 498 CG ARG A 30 -8.698 -5.895 -11.656 1.00 0.00 C ATOM 499 CD ARG A 30 -9.905 -6.482 -12.392 1.00 0.00 C ATOM 500 NE ARG A 30 -9.329 -7.237 -13.538 1.00 0.00 N ATOM 501 CZ ARG A 30 -10.117 -7.784 -14.424 1.00 0.00 C ATOM 502 NH1 ARG A 30 -11.343 -8.096 -14.104 1.00 0.00 N ATOM 503 NH2 ARG A 30 -9.680 -8.016 -15.631 1.00 0.00 N ATOM 0 H ARG A 30 -9.091 -6.333 -7.834 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.991 -6.555 -9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.646 -6.629 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.550 -4.881 -9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.463 -4.907 -12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.820 -6.521 -11.819 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.485 -7.136 -11.740 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.578 -5.696 -12.736 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.317 -7.327 -13.631 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.686 -7.913 -13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.958 -8.523 -14.797 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.723 -7.770 -15.883 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.296 -8.443 -16.323 1.00 0.00 H new ATOM 517 N ASN A 31 -7.734 -3.407 -9.208 1.00 0.00 N ATOM 518 CA ASN A 31 -7.115 -2.050 -9.247 1.00 0.00 C ATOM 519 C ASN A 31 -5.871 -1.997 -8.353 1.00 0.00 C ATOM 520 O ASN A 31 -4.908 -1.322 -8.655 1.00 0.00 O ATOM 521 CB ASN A 31 -8.195 -1.108 -8.716 1.00 0.00 C ATOM 522 CG ASN A 31 -8.695 -1.618 -7.363 1.00 0.00 C ATOM 523 OD1 ASN A 31 -9.580 -2.448 -7.304 1.00 0.00 O ATOM 524 ND2 ASN A 31 -8.162 -1.153 -6.266 1.00 0.00 N ATOM 0 H ASN A 31 -8.735 -3.421 -9.012 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.790 -1.779 -10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.794 -0.100 -8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.022 -1.050 -9.423 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.489 -1.487 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.419 -0.456 -6.316 1.00 0.00 H new ATOM 531 N LEU A 32 -5.888 -2.696 -7.252 1.00 0.00 N ATOM 532 CA LEU A 32 -4.710 -2.677 -6.337 1.00 0.00 C ATOM 533 C LEU A 32 -3.537 -3.443 -6.954 1.00 0.00 C ATOM 534 O LEU A 32 -2.532 -2.869 -7.322 1.00 0.00 O ATOM 535 CB LEU A 32 -5.189 -3.371 -5.062 1.00 0.00 C ATOM 536 CG LEU A 32 -5.916 -2.364 -4.172 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.990 -3.087 -3.358 1.00 0.00 C ATOM 538 CD2 LEU A 32 -4.913 -1.707 -3.220 1.00 0.00 C ATOM 0 H LEU A 32 -6.666 -3.280 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.357 -1.664 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.855 -4.196 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.340 -3.798 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.382 -1.600 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.509 -2.370 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.704 -3.557 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.523 -3.851 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.431 -0.988 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.447 -2.471 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.146 -1.193 -3.798 1.00 0.00 H new ATOM 550 N HIS A 33 -3.652 -4.738 -7.057 1.00 0.00 N ATOM 551 CA HIS A 33 -2.541 -5.545 -7.637 1.00 0.00 C ATOM 552 C HIS A 33 -2.243 -5.112 -9.077 1.00 0.00 C ATOM 553 O HIS A 33 -1.159 -5.325 -9.583 1.00 0.00 O ATOM 554 CB HIS A 33 -3.042 -6.989 -7.604 1.00 0.00 C ATOM 555 CG HIS A 33 -1.908 -7.901 -7.227 1.00 0.00 C ATOM 556 ND1 HIS A 33 -1.360 -8.806 -8.121 1.00 0.00 N ATOM 557 CD2 HIS A 33 -1.205 -8.056 -6.057 1.00 0.00 C ATOM 558 CE1 HIS A 33 -0.371 -9.458 -7.484 1.00 0.00 C ATOM 559 NE2 HIS A 33 -0.235 -9.039 -6.222 1.00 0.00 N ATOM 0 H HIS A 33 -4.469 -5.274 -6.764 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.613 -5.418 -7.079 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.856 -7.087 -6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.441 -7.270 -8.579 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.653 -8.952 -9.087 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.379 -7.500 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.239 -10.226 -7.937 1.00 0.00 H new ATOM 567 N LYS A 34 -3.193 -4.517 -9.745 1.00 0.00 N ATOM 568 CA LYS A 34 -2.954 -4.088 -11.153 1.00 0.00 C ATOM 569 C LYS A 34 -2.070 -2.837 -11.195 1.00 0.00 C ATOM 570 O LYS A 34 -1.341 -2.617 -12.140 1.00 0.00 O ATOM 571 CB LYS A 34 -4.343 -3.798 -11.716 1.00 0.00 C ATOM 572 CG LYS A 34 -4.216 -3.104 -13.071 1.00 0.00 C ATOM 573 CD LYS A 34 -4.815 -1.704 -12.966 1.00 0.00 C ATOM 574 CE LYS A 34 -3.721 -0.716 -12.557 1.00 0.00 C ATOM 575 NZ LYS A 34 -4.130 0.590 -13.150 1.00 0.00 N ATOM 0 H LYS A 34 -4.122 -4.310 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.432 -4.849 -11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.903 -4.727 -11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.902 -3.167 -11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.169 -3.045 -13.368 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.733 -3.679 -13.839 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.249 -1.409 -13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.622 -1.695 -12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.639 -0.647 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.747 -1.030 -12.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.425 1.316 -12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.193 0.497 -14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.057 0.869 -12.770 1.00 0.00 H new ATOM 589 N LEU A 35 -2.127 -2.013 -10.187 1.00 0.00 N ATOM 590 CA LEU A 35 -1.281 -0.786 -10.191 1.00 0.00 C ATOM 591 C LEU A 35 -0.054 -0.986 -9.296 1.00 0.00 C ATOM 592 O LEU A 35 1.075 -0.892 -9.739 1.00 0.00 O ATOM 593 CB LEU A 35 -2.175 0.320 -9.625 1.00 0.00 C ATOM 594 CG LEU A 35 -1.329 1.554 -9.305 1.00 0.00 C ATOM 595 CD1 LEU A 35 -1.183 2.413 -10.563 1.00 0.00 C ATOM 596 CD2 LEU A 35 -2.018 2.372 -8.210 1.00 0.00 C ATOM 0 H LEU A 35 -2.719 -2.134 -9.365 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.915 -0.545 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.952 0.577 -10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.678 -0.031 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.343 1.240 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.580 3.292 -10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.696 1.832 -11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.169 2.728 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.417 3.252 -7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.003 2.686 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.125 1.762 -7.313 1.00 0.00 H new ATOM 608 N LEU A 36 -0.271 -1.241 -8.037 1.00 0.00 N ATOM 609 CA LEU A 36 0.875 -1.425 -7.098 1.00 0.00 C ATOM 610 C LEU A 36 1.824 -2.519 -7.594 1.00 0.00 C ATOM 611 O LEU A 36 3.008 -2.297 -7.755 1.00 0.00 O ATOM 612 CB LEU A 36 0.238 -1.834 -5.770 1.00 0.00 C ATOM 613 CG LEU A 36 -0.680 -0.716 -5.273 1.00 0.00 C ATOM 614 CD1 LEU A 36 -1.846 -1.323 -4.491 1.00 0.00 C ATOM 615 CD2 LEU A 36 0.110 0.226 -4.358 1.00 0.00 C ATOM 0 H LEU A 36 -1.195 -1.331 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 36 1.472 -0.517 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.331 -2.755 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.013 -2.037 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.065 -0.157 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.500 -0.526 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.409 -1.994 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.460 -1.882 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.544 1.023 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.495 -0.333 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.942 0.660 -4.913 1.00 0.00 H new ATOM 627 N TYR A 37 1.325 -3.704 -7.818 1.00 0.00 N ATOM 628 CA TYR A 37 2.218 -4.804 -8.280 1.00 0.00 C ATOM 629 C TYR A 37 2.053 -5.054 -9.780 1.00 0.00 C ATOM 630 O TYR A 37 2.731 -5.885 -10.350 1.00 0.00 O ATOM 631 CB TYR A 37 1.777 -6.031 -7.483 1.00 0.00 C ATOM 632 CG TYR A 37 2.214 -5.878 -6.046 1.00 0.00 C ATOM 633 CD1 TYR A 37 1.493 -5.048 -5.179 1.00 0.00 C ATOM 634 CD2 TYR A 37 3.343 -6.565 -5.581 1.00 0.00 C ATOM 635 CE1 TYR A 37 1.899 -4.906 -3.848 1.00 0.00 C ATOM 636 CE2 TYR A 37 3.749 -6.422 -4.249 1.00 0.00 C ATOM 637 CZ TYR A 37 3.027 -5.593 -3.383 1.00 0.00 C ATOM 638 OH TYR A 37 3.427 -5.452 -2.069 1.00 0.00 O ATOM 0 H TYR A 37 0.344 -3.957 -7.702 1.00 0.00 H new ATOM 0 HA TYR A 37 3.269 -4.563 -8.123 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.694 -6.143 -7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.212 -6.933 -7.913 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.623 -4.517 -5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.900 -7.205 -6.250 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.342 -4.266 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.619 -6.951 -3.890 1.00 0.00 H new ATOM 0 HH TYR A 37 2.644 -5.500 -1.482 1.00 0.00 H new ATOM 648 N ASN A 38 1.168 -4.345 -10.427 1.00 0.00 N ATOM 649 CA ASN A 38 0.978 -4.560 -11.893 1.00 0.00 C ATOM 650 C ASN A 38 1.014 -6.056 -12.221 1.00 0.00 C ATOM 651 O ASN A 38 1.611 -6.474 -13.193 1.00 0.00 O ATOM 652 CB ASN A 38 2.155 -3.839 -12.549 1.00 0.00 C ATOM 653 CG ASN A 38 2.080 -4.016 -14.066 1.00 0.00 C ATOM 654 OD1 ASN A 38 2.873 -4.873 -14.649 1.00 0.00 O flip ATOM 655 ND2 ASN A 38 1.292 -3.370 -14.727 1.00 0.00 N flip ATOM 0 H ASN A 38 0.572 -3.631 -10.009 1.00 0.00 H new ATOM 0 HA ASN A 38 0.018 -4.184 -12.246 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.134 -2.779 -12.294 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.096 -4.239 -12.172 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.672 -2.700 -14.271 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.250 -3.497 -15.738 1.00 0.00 H new ATOM 662 N ARG A 39 0.382 -6.866 -11.414 1.00 0.00 N ATOM 663 CA ARG A 39 0.383 -8.334 -11.678 1.00 0.00 C ATOM 664 C ARG A 39 -1.017 -8.913 -11.447 1.00 0.00 C ATOM 665 O ARG A 39 -1.917 -8.210 -11.033 1.00 0.00 O ATOM 666 CB ARG A 39 1.377 -8.913 -10.669 1.00 0.00 C ATOM 667 CG ARG A 39 2.501 -9.641 -11.410 1.00 0.00 C ATOM 668 CD ARG A 39 3.636 -8.662 -11.716 1.00 0.00 C ATOM 669 NE ARG A 39 4.678 -9.483 -12.390 1.00 0.00 N ATOM 670 CZ ARG A 39 5.726 -9.883 -11.725 1.00 0.00 C ATOM 671 NH1 ARG A 39 6.442 -9.019 -11.056 1.00 0.00 N ATOM 672 NH2 ARG A 39 6.059 -11.144 -11.725 1.00 0.00 N ATOM 0 H ARG A 39 -0.134 -6.575 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 39 0.658 -8.571 -12.706 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.792 -8.115 -10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.867 -9.602 -9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.874 -10.467 -10.804 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.120 -10.072 -12.336 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.295 -7.850 -12.359 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.021 -8.206 -10.804 1.00 0.00 H new ATOM 0 HE ARG A 39 4.572 -9.733 -13.373 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.181 -8.033 -11.054 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.262 -9.330 -10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.499 -11.819 -12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.879 -11.455 -11.204 1.00 0.00 H new ATOM 686 N PRO A 40 -1.154 -10.182 -11.725 1.00 0.00 N ATOM 687 CA PRO A 40 -2.457 -10.864 -11.543 1.00 0.00 C ATOM 688 C PRO A 40 -2.737 -11.083 -10.054 1.00 0.00 C ATOM 689 O PRO A 40 -2.070 -11.854 -9.393 1.00 0.00 O ATOM 690 CB PRO A 40 -2.272 -12.194 -12.269 1.00 0.00 C ATOM 691 CG PRO A 40 -0.797 -12.440 -12.261 1.00 0.00 C ATOM 692 CD PRO A 40 -0.119 -11.094 -12.225 1.00 0.00 C ATOM 0 HA PRO A 40 -3.301 -10.292 -11.929 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.808 -12.997 -11.764 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.658 -12.144 -13.287 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.512 -13.037 -11.395 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.496 -12.999 -13.147 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.752 -11.105 -11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.229 -10.797 -13.214 1.00 0.00 H new ATOM 700 N GLY A 41 -3.715 -10.405 -9.522 1.00 0.00 N ATOM 701 CA GLY A 41 -4.035 -10.566 -8.076 1.00 0.00 C ATOM 702 C GLY A 41 -4.152 -12.053 -7.733 1.00 0.00 C ATOM 703 O GLY A 41 -5.203 -12.648 -7.862 1.00 0.00 O ATOM 0 H GLY A 41 -4.307 -9.745 -10.026 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.257 -10.103 -7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.969 -10.055 -7.842 1.00 0.00 H new ATOM 707 N THR A 42 -3.083 -12.655 -7.288 1.00 0.00 N ATOM 708 CA THR A 42 -3.137 -14.100 -6.928 1.00 0.00 C ATOM 709 C THR A 42 -3.314 -14.247 -5.417 1.00 0.00 C ATOM 710 O THR A 42 -2.775 -13.481 -4.645 1.00 0.00 O ATOM 711 CB THR A 42 -1.791 -14.681 -7.372 1.00 0.00 C ATOM 712 OG1 THR A 42 -0.940 -13.631 -7.811 1.00 0.00 O ATOM 713 CG2 THR A 42 -2.013 -15.672 -8.515 1.00 0.00 C ATOM 0 H THR A 42 -2.175 -12.209 -7.158 1.00 0.00 H new ATOM 0 HA THR A 42 -3.971 -14.616 -7.405 1.00 0.00 H new ATOM 0 HB THR A 42 -1.325 -15.196 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.285 -13.260 -8.650 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.055 -16.085 -8.830 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.662 -16.479 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.481 -15.159 -9.355 1.00 0.00 H new ATOM 721 N VAL A 43 -4.071 -15.217 -4.985 1.00 0.00 N ATOM 722 CA VAL A 43 -4.280 -15.396 -3.519 1.00 0.00 C ATOM 723 C VAL A 43 -2.960 -15.208 -2.766 1.00 0.00 C ATOM 724 O VAL A 43 -2.917 -14.617 -1.706 1.00 0.00 O ATOM 725 CB VAL A 43 -4.791 -16.829 -3.363 1.00 0.00 C ATOM 726 CG1 VAL A 43 -4.816 -17.203 -1.881 1.00 0.00 C ATOM 727 CG2 VAL A 43 -6.206 -16.929 -3.937 1.00 0.00 C ATOM 0 H VAL A 43 -4.553 -15.891 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.981 -14.668 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.131 -17.511 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.180 -18.224 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.809 -17.130 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.477 -16.522 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.572 -17.950 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.865 -16.247 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.190 -16.661 -4.994 1.00 0.00 H new ATOM 737 N SER A 44 -1.882 -15.704 -3.308 1.00 0.00 N ATOM 738 CA SER A 44 -0.566 -15.556 -2.621 1.00 0.00 C ATOM 739 C SER A 44 -0.050 -14.122 -2.753 1.00 0.00 C ATOM 740 O SER A 44 0.407 -13.524 -1.798 1.00 0.00 O ATOM 741 CB SER A 44 0.366 -16.528 -3.342 1.00 0.00 C ATOM 742 OG SER A 44 0.339 -17.785 -2.680 1.00 0.00 O ATOM 0 H SER A 44 -1.854 -16.205 -4.196 1.00 0.00 H new ATOM 0 HA SER A 44 -0.634 -15.767 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.056 -16.644 -4.380 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.382 -16.133 -3.355 1.00 0.00 H new ATOM 0 HG SER A 44 0.935 -18.411 -3.142 1.00 0.00 H new ATOM 748 N SER A 45 -0.125 -13.562 -3.928 1.00 0.00 N ATOM 749 CA SER A 45 0.359 -12.167 -4.116 1.00 0.00 C ATOM 750 C SER A 45 -0.732 -11.195 -3.682 1.00 0.00 C ATOM 751 O SER A 45 -0.548 -10.398 -2.784 1.00 0.00 O ATOM 752 CB SER A 45 0.637 -12.037 -5.613 1.00 0.00 C ATOM 753 OG SER A 45 0.748 -13.335 -6.184 1.00 0.00 O ATOM 0 H SER A 45 -0.500 -14.009 -4.765 1.00 0.00 H new ATOM 0 HA SER A 45 1.249 -11.945 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.166 -11.482 -6.097 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.557 -11.475 -5.777 1.00 0.00 H new ATOM 0 HG SER A 45 0.205 -13.382 -6.998 1.00 0.00 H new ATOM 759 N LEU A 46 -1.869 -11.268 -4.312 1.00 0.00 N ATOM 760 CA LEU A 46 -2.991 -10.366 -3.946 1.00 0.00 C ATOM 761 C LEU A 46 -3.066 -10.215 -2.419 1.00 0.00 C ATOM 762 O LEU A 46 -3.296 -9.139 -1.904 1.00 0.00 O ATOM 763 CB LEU A 46 -4.235 -11.057 -4.536 1.00 0.00 C ATOM 764 CG LEU A 46 -5.006 -11.845 -3.466 1.00 0.00 C ATOM 765 CD1 LEU A 46 -5.763 -10.877 -2.557 1.00 0.00 C ATOM 766 CD2 LEU A 46 -6.007 -12.780 -4.148 1.00 0.00 C ATOM 0 H LEU A 46 -2.070 -11.919 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.884 -9.352 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.891 -10.309 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.932 -11.731 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.302 -12.427 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.308 -11.440 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.055 -10.206 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.466 -10.294 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.555 -13.340 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.707 -12.193 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.473 -13.474 -4.797 1.00 0.00 H new ATOM 778 N LYS A 47 -2.864 -11.282 -1.695 1.00 0.00 N ATOM 779 CA LYS A 47 -2.916 -11.195 -0.209 1.00 0.00 C ATOM 780 C LYS A 47 -1.699 -10.432 0.319 1.00 0.00 C ATOM 781 O LYS A 47 -1.818 -9.346 0.853 1.00 0.00 O ATOM 782 CB LYS A 47 -2.882 -12.646 0.266 1.00 0.00 C ATOM 783 CG LYS A 47 -3.247 -12.710 1.748 1.00 0.00 C ATOM 784 CD LYS A 47 -4.556 -13.483 1.908 1.00 0.00 C ATOM 785 CE LYS A 47 -4.246 -14.949 2.224 1.00 0.00 C ATOM 786 NZ LYS A 47 -3.943 -14.979 3.683 1.00 0.00 N ATOM 0 H LYS A 47 -2.665 -12.210 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.801 -10.666 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.581 -13.246 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.890 -13.068 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.451 -13.198 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.353 -11.704 2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.154 -13.046 2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.146 -13.413 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.094 -15.591 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.399 -15.307 1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.181 -15.663 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.642 -14.034 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.795 -15.262 4.209 1.00 0.00 H new ATOM 800 N LYS A 48 -0.529 -10.993 0.177 1.00 0.00 N ATOM 801 CA LYS A 48 0.692 -10.300 0.677 1.00 0.00 C ATOM 802 C LYS A 48 0.916 -8.993 -0.088 1.00 0.00 C ATOM 803 O LYS A 48 0.936 -7.925 0.491 1.00 0.00 O ATOM 804 CB LYS A 48 1.838 -11.278 0.417 1.00 0.00 C ATOM 805 CG LYS A 48 2.588 -11.543 1.726 1.00 0.00 C ATOM 806 CD LYS A 48 1.767 -12.489 2.606 1.00 0.00 C ATOM 807 CE LYS A 48 2.448 -13.858 2.661 1.00 0.00 C ATOM 808 NZ LYS A 48 2.380 -14.265 4.092 1.00 0.00 N ATOM 0 H LYS A 48 -0.366 -11.899 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 48 0.612 -10.037 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.449 -12.212 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.519 -10.867 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.564 -11.981 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.766 -10.605 2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.673 -12.078 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.758 -12.589 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.938 -14.578 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.480 -13.800 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.828 -15.196 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.879 -13.564 4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.385 -14.319 4.391 1.00 0.00 H new ATOM 822 N ASN A 49 1.088 -9.069 -1.383 1.00 0.00 N ATOM 823 CA ASN A 49 1.318 -7.829 -2.184 1.00 0.00 C ATOM 824 C ASN A 49 0.423 -6.693 -1.682 1.00 0.00 C ATOM 825 O ASN A 49 0.896 -5.642 -1.299 1.00 0.00 O ATOM 826 CB ASN A 49 0.949 -8.203 -3.620 1.00 0.00 C ATOM 827 CG ASN A 49 1.884 -9.305 -4.121 1.00 0.00 C ATOM 828 OD1 ASN A 49 2.349 -10.120 -3.348 1.00 0.00 O ATOM 829 ND2 ASN A 49 2.183 -9.366 -5.389 1.00 0.00 N ATOM 0 H ASN A 49 1.079 -9.936 -1.920 1.00 0.00 H new ATOM 0 HA ASN A 49 2.347 -7.480 -2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.086 -8.543 -3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.024 -7.328 -4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.806 -10.097 -5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.793 -8.683 -6.038 1.00 0.00 H new ATOM 836 N VAL A 50 -0.866 -6.894 -1.682 1.00 0.00 N ATOM 837 CA VAL A 50 -1.783 -5.820 -1.204 1.00 0.00 C ATOM 838 C VAL A 50 -1.338 -5.319 0.172 1.00 0.00 C ATOM 839 O VAL A 50 -1.490 -4.159 0.500 1.00 0.00 O ATOM 840 CB VAL A 50 -3.157 -6.484 -1.117 1.00 0.00 C ATOM 841 CG1 VAL A 50 -4.094 -5.615 -0.276 1.00 0.00 C ATOM 842 CG2 VAL A 50 -3.735 -6.641 -2.525 1.00 0.00 C ATOM 0 H VAL A 50 -1.323 -7.752 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.790 -4.955 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.057 -7.464 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.073 -6.090 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.683 -5.501 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.195 -4.634 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.715 -7.114 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.834 -5.660 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.069 -7.261 -3.125 1.00 0.00 H new ATOM 852 N GLY A 51 -0.794 -6.185 0.982 1.00 0.00 N ATOM 853 CA GLY A 51 -0.346 -5.754 2.337 1.00 0.00 C ATOM 854 C GLY A 51 1.183 -5.721 2.398 1.00 0.00 C ATOM 855 O GLY A 51 1.767 -5.763 3.462 1.00 0.00 O ATOM 0 H GLY A 51 -0.640 -7.170 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.748 -4.767 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.733 -6.438 3.092 1.00 0.00 H new ATOM 859 N GLN A 52 1.843 -5.644 1.272 1.00 0.00 N ATOM 860 CA GLN A 52 3.334 -5.609 1.293 1.00 0.00 C ATOM 861 C GLN A 52 3.863 -4.566 0.305 1.00 0.00 C ATOM 862 O GLN A 52 4.945 -4.702 -0.229 1.00 0.00 O ATOM 863 CB GLN A 52 3.778 -7.011 0.875 1.00 0.00 C ATOM 864 CG GLN A 52 4.157 -7.819 2.117 1.00 0.00 C ATOM 865 CD GLN A 52 5.657 -7.674 2.382 1.00 0.00 C ATOM 866 OE1 GLN A 52 6.217 -6.499 2.276 1.00 0.00 O flip ATOM 867 NE2 GLN A 52 6.327 -8.640 2.690 1.00 0.00 N flip ATOM 0 H GLN A 52 1.418 -5.604 0.346 1.00 0.00 H new ATOM 0 HA GLN A 52 3.717 -5.336 2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.975 -7.512 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.629 -6.947 0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.589 -7.469 2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.902 -8.869 1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.890 -9.558 2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.326 -8.533 2.866 1.00 0.00 H new ATOM 876 N PHE A 53 3.118 -3.524 0.062 1.00 0.00 N ATOM 877 CA PHE A 53 3.599 -2.483 -0.891 1.00 0.00 C ATOM 878 C PHE A 53 4.902 -1.868 -0.377 1.00 0.00 C ATOM 879 O PHE A 53 5.632 -1.232 -1.112 1.00 0.00 O ATOM 880 CB PHE A 53 2.489 -1.432 -0.934 1.00 0.00 C ATOM 881 CG PHE A 53 2.752 -0.474 -2.072 1.00 0.00 C ATOM 882 CD1 PHE A 53 3.015 -0.969 -3.354 1.00 0.00 C ATOM 883 CD2 PHE A 53 2.731 0.908 -1.846 1.00 0.00 C ATOM 884 CE1 PHE A 53 3.259 -0.083 -4.411 1.00 0.00 C ATOM 885 CE2 PHE A 53 2.974 1.795 -2.902 1.00 0.00 C ATOM 886 CZ PHE A 53 3.238 1.300 -4.185 1.00 0.00 C ATOM 0 H PHE A 53 2.204 -3.348 0.478 1.00 0.00 H new ATOM 0 HA PHE A 53 3.804 -2.892 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.521 -1.914 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.449 -0.890 0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.030 -2.035 -3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.527 1.290 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.463 -0.466 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.958 2.861 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.425 1.984 -5.000 1.00 0.00 H new ATOM 896 N SER A 54 5.200 -2.050 0.881 1.00 0.00 N ATOM 897 CA SER A 54 6.455 -1.473 1.439 1.00 0.00 C ATOM 898 C SER A 54 6.472 0.041 1.221 1.00 0.00 C ATOM 899 O SER A 54 7.507 0.676 1.276 1.00 0.00 O ATOM 900 CB SER A 54 7.582 -2.144 0.655 1.00 0.00 C ATOM 901 OG SER A 54 7.930 -1.333 -0.459 1.00 0.00 O ATOM 0 H SER A 54 4.629 -2.573 1.545 1.00 0.00 H new ATOM 0 HA SER A 54 6.553 -1.643 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.450 -2.290 1.298 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.267 -3.131 0.316 1.00 0.00 H new ATOM 0 HG SER A 54 7.222 -1.384 -1.134 1.00 0.00 H new ATOM 907 N GLY A 55 5.332 0.623 0.971 1.00 0.00 N ATOM 908 CA GLY A 55 5.280 2.093 0.748 1.00 0.00 C ATOM 909 C GLY A 55 4.321 2.734 1.752 1.00 0.00 C ATOM 910 O GLY A 55 4.433 3.901 2.071 1.00 0.00 O ATOM 0 H GLY A 55 4.434 0.143 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.276 2.522 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.951 2.305 -0.269 1.00 0.00 H new ATOM 914 N PHE A 56 3.370 1.987 2.249 1.00 0.00 N ATOM 915 CA PHE A 56 2.407 2.570 3.224 1.00 0.00 C ATOM 916 C PHE A 56 3.152 3.105 4.465 1.00 0.00 C ATOM 917 O PHE A 56 3.386 4.295 4.553 1.00 0.00 O ATOM 918 CB PHE A 56 1.432 1.435 3.547 1.00 0.00 C ATOM 919 CG PHE A 56 0.376 1.382 2.470 1.00 0.00 C ATOM 920 CD1 PHE A 56 0.737 1.044 1.161 1.00 0.00 C ATOM 921 CD2 PHE A 56 -0.958 1.676 2.775 1.00 0.00 C ATOM 922 CE1 PHE A 56 -0.234 1.000 0.156 1.00 0.00 C ATOM 923 CE2 PHE A 56 -1.930 1.632 1.769 1.00 0.00 C ATOM 924 CZ PHE A 56 -1.567 1.294 0.460 1.00 0.00 C ATOM 0 H PHE A 56 3.220 1.004 2.022 1.00 0.00 H new ATOM 0 HA PHE A 56 1.868 3.431 2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.963 0.485 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.971 1.599 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.767 0.817 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.237 1.936 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.045 0.739 -0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.960 1.859 2.003 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.317 1.260 -0.316 1.00 0.00 H new ATOM 934 N PRO A 57 3.525 2.240 5.384 1.00 0.00 N ATOM 935 CA PRO A 57 4.264 2.710 6.588 1.00 0.00 C ATOM 936 C PRO A 57 5.710 3.074 6.218 1.00 0.00 C ATOM 937 O PRO A 57 6.650 2.595 6.820 1.00 0.00 O ATOM 938 CB PRO A 57 4.238 1.500 7.518 1.00 0.00 C ATOM 939 CG PRO A 57 4.086 0.322 6.613 1.00 0.00 C ATOM 940 CD PRO A 57 3.306 0.787 5.414 1.00 0.00 C ATOM 0 HA PRO A 57 3.827 3.601 7.038 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.155 1.432 8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.411 1.564 8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.061 -0.063 6.313 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.565 -0.490 7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.660 0.312 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.247 0.545 5.509 1.00 0.00 H new ATOM 948 N PHE A 58 5.897 3.908 5.228 1.00 0.00 N ATOM 949 CA PHE A 58 7.286 4.285 4.820 1.00 0.00 C ATOM 950 C PHE A 58 7.703 5.623 5.445 1.00 0.00 C ATOM 951 O PHE A 58 7.439 5.887 6.601 1.00 0.00 O ATOM 952 CB PHE A 58 7.241 4.372 3.288 1.00 0.00 C ATOM 953 CG PHE A 58 6.543 5.638 2.822 1.00 0.00 C ATOM 954 CD1 PHE A 58 5.698 6.361 3.680 1.00 0.00 C ATOM 955 CD2 PHE A 58 6.745 6.084 1.509 1.00 0.00 C ATOM 956 CE1 PHE A 58 5.062 7.522 3.222 1.00 0.00 C ATOM 957 CE2 PHE A 58 6.107 7.245 1.054 1.00 0.00 C ATOM 958 CZ PHE A 58 5.266 7.964 1.909 1.00 0.00 C ATOM 0 H PHE A 58 5.151 4.344 4.685 1.00 0.00 H new ATOM 0 HA PHE A 58 8.023 3.558 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.256 4.348 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.722 3.501 2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.539 6.022 4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.394 5.531 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.413 8.077 3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.265 7.585 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.774 8.859 1.557 1.00 0.00 H new ATOM 968 N GLU A 59 8.360 6.467 4.692 1.00 0.00 N ATOM 969 CA GLU A 59 8.796 7.781 5.248 1.00 0.00 C ATOM 970 C GLU A 59 8.036 8.924 4.570 1.00 0.00 C ATOM 971 O GLU A 59 7.443 8.753 3.523 1.00 0.00 O ATOM 972 CB GLU A 59 10.287 7.872 4.923 1.00 0.00 C ATOM 973 CG GLU A 59 11.103 7.344 6.104 1.00 0.00 C ATOM 974 CD GLU A 59 10.876 5.837 6.247 1.00 0.00 C ATOM 975 OE1 GLU A 59 10.374 5.243 5.308 1.00 0.00 O ATOM 976 OE2 GLU A 59 11.211 5.305 7.292 1.00 0.00 O ATOM 0 H GLU A 59 8.613 6.303 3.718 1.00 0.00 H new ATOM 0 HA GLU A 59 8.602 7.859 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.510 7.294 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.561 8.906 4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.162 7.550 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.809 7.856 7.021 1.00 0.00 H new ATOM 983 N LYS A 60 8.049 10.088 5.159 1.00 0.00 N ATOM 984 CA LYS A 60 7.327 11.243 4.551 1.00 0.00 C ATOM 985 C LYS A 60 8.300 12.394 4.278 1.00 0.00 C ATOM 986 O LYS A 60 9.497 12.205 4.210 1.00 0.00 O ATOM 987 CB LYS A 60 6.286 11.655 5.595 1.00 0.00 C ATOM 988 CG LYS A 60 6.990 12.020 6.905 1.00 0.00 C ATOM 989 CD LYS A 60 6.783 13.507 7.197 1.00 0.00 C ATOM 990 CE LYS A 60 5.526 13.694 8.050 1.00 0.00 C ATOM 991 NZ LYS A 60 5.573 15.113 8.500 1.00 0.00 N ATOM 0 H LYS A 60 8.529 10.290 6.036 1.00 0.00 H new ATOM 0 HA LYS A 60 6.867 10.985 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.708 12.505 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.582 10.840 5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.593 11.419 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.055 11.797 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.651 13.910 7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.687 14.061 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.624 13.493 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.520 13.011 8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.742 15.317 9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.439 15.273 9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.571 15.740 7.671 1.00 0.00 H new ATOM 1005 N GLY A 61 7.790 13.586 4.121 1.00 0.00 N ATOM 1006 CA GLY A 61 8.679 14.752 3.853 1.00 0.00 C ATOM 1007 C GLY A 61 9.750 14.362 2.832 1.00 0.00 C ATOM 1008 O GLY A 61 10.828 14.921 2.808 1.00 0.00 O ATOM 0 H GLY A 61 6.794 13.802 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.092 15.590 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.149 15.083 4.779 1.00 0.00 H new ATOM 1012 N SER A 62 9.466 13.409 1.989 1.00 0.00 N ATOM 1013 CA SER A 62 10.476 12.988 0.974 1.00 0.00 C ATOM 1014 C SER A 62 9.908 13.135 -0.442 1.00 0.00 C ATOM 1015 O SER A 62 8.718 13.280 -0.630 1.00 0.00 O ATOM 1016 CB SER A 62 10.763 11.521 1.287 1.00 0.00 C ATOM 1017 OG SER A 62 9.608 10.933 1.871 1.00 0.00 O ATOM 0 H SER A 62 8.581 12.903 1.957 1.00 0.00 H new ATOM 0 HA SER A 62 11.378 13.599 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.035 10.989 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.610 11.441 1.968 1.00 0.00 H new ATOM 0 HG SER A 62 9.644 11.039 2.845 1.00 0.00 H new ATOM 1023 N VAL A 63 10.753 13.097 -1.436 1.00 0.00 N ATOM 1024 CA VAL A 63 10.268 13.230 -2.842 1.00 0.00 C ATOM 1025 C VAL A 63 8.970 12.441 -3.037 1.00 0.00 C ATOM 1026 O VAL A 63 8.019 12.921 -3.624 1.00 0.00 O ATOM 1027 CB VAL A 63 11.387 12.642 -3.702 1.00 0.00 C ATOM 1028 CG1 VAL A 63 10.861 12.379 -5.115 1.00 0.00 C ATOM 1029 CG2 VAL A 63 12.551 13.631 -3.768 1.00 0.00 C ATOM 0 H VAL A 63 11.761 12.979 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 63 10.049 14.265 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 63 11.729 11.705 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.659 11.960 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.031 11.674 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.518 13.315 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.349 13.213 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.208 14.567 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.926 13.819 -2.762 1.00 0.00 H new ATOM 1039 N GLN A 64 8.921 11.236 -2.540 1.00 0.00 N ATOM 1040 CA GLN A 64 7.684 10.420 -2.686 1.00 0.00 C ATOM 1041 C GLN A 64 6.502 11.230 -2.175 1.00 0.00 C ATOM 1042 O GLN A 64 5.409 11.175 -2.702 1.00 0.00 O ATOM 1043 CB GLN A 64 7.914 9.201 -1.799 1.00 0.00 C ATOM 1044 CG GLN A 64 8.227 9.674 -0.380 1.00 0.00 C ATOM 1045 CD GLN A 64 9.073 8.620 0.336 1.00 0.00 C ATOM 1046 OE1 GLN A 64 8.723 8.169 1.408 1.00 0.00 O ATOM 1047 NE2 GLN A 64 10.179 8.205 -0.218 1.00 0.00 N ATOM 0 H GLN A 64 9.684 10.781 -2.039 1.00 0.00 H new ATOM 0 HA GLN A 64 7.476 10.135 -3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.030 8.564 -1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.738 8.602 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.761 10.624 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.301 9.847 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.472 8.584 -1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.751 7.501 0.249 1.00 0.00 H new ATOM 1056 N TYR A 65 6.731 11.993 -1.148 1.00 0.00 N ATOM 1057 CA TYR A 65 5.654 12.834 -0.577 1.00 0.00 C ATOM 1058 C TYR A 65 4.906 13.549 -1.700 1.00 0.00 C ATOM 1059 O TYR A 65 3.768 13.244 -1.996 1.00 0.00 O ATOM 1060 CB TYR A 65 6.396 13.832 0.307 1.00 0.00 C ATOM 1061 CG TYR A 65 5.423 14.506 1.222 1.00 0.00 C ATOM 1062 CD1 TYR A 65 4.752 15.652 0.797 1.00 0.00 C ATOM 1063 CD2 TYR A 65 5.195 13.986 2.495 1.00 0.00 C ATOM 1064 CE1 TYR A 65 3.845 16.286 1.649 1.00 0.00 C ATOM 1065 CE2 TYR A 65 4.288 14.616 3.354 1.00 0.00 C ATOM 1066 CZ TYR A 65 3.611 15.768 2.930 1.00 0.00 C ATOM 1067 OH TYR A 65 2.716 16.394 3.775 1.00 0.00 O ATOM 0 H TYR A 65 7.631 12.069 -0.675 1.00 0.00 H new ATOM 0 HA TYR A 65 4.910 12.264 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.163 13.320 0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.905 14.573 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.934 16.049 -0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.718 13.098 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.325 17.174 1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.110 14.216 4.341 1.00 0.00 H new ATOM 0 HH TYR A 65 2.671 15.906 4.623 1.00 0.00 H new ATOM 1077 N LYS A 66 5.545 14.488 -2.338 1.00 0.00 N ATOM 1078 CA LYS A 66 4.875 15.210 -3.456 1.00 0.00 C ATOM 1079 C LYS A 66 4.178 14.197 -4.364 1.00 0.00 C ATOM 1080 O LYS A 66 3.033 14.365 -4.746 1.00 0.00 O ATOM 1081 CB LYS A 66 6.004 15.922 -4.204 1.00 0.00 C ATOM 1082 CG LYS A 66 6.732 16.869 -3.249 1.00 0.00 C ATOM 1083 CD LYS A 66 8.167 16.381 -3.042 1.00 0.00 C ATOM 1084 CE LYS A 66 8.463 16.284 -1.543 1.00 0.00 C ATOM 1085 NZ LYS A 66 9.304 17.475 -1.241 1.00 0.00 N ATOM 0 H LYS A 66 6.499 14.787 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 66 4.118 15.915 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.703 15.191 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.600 16.480 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.736 17.880 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.210 16.911 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.303 15.408 -3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.868 17.067 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.544 16.291 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.987 15.359 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.549 17.480 -0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.175 17.438 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.776 18.341 -1.473 1.00 0.00 H new ATOM 1099 N LYS A 67 4.859 13.132 -4.696 1.00 0.00 N ATOM 1100 CA LYS A 67 4.236 12.095 -5.561 1.00 0.00 C ATOM 1101 C LYS A 67 2.820 11.811 -5.062 1.00 0.00 C ATOM 1102 O LYS A 67 1.850 12.014 -5.765 1.00 0.00 O ATOM 1103 CB LYS A 67 5.122 10.857 -5.405 1.00 0.00 C ATOM 1104 CG LYS A 67 5.329 10.199 -6.771 1.00 0.00 C ATOM 1105 CD LYS A 67 6.827 10.021 -7.033 1.00 0.00 C ATOM 1106 CE LYS A 67 7.170 8.530 -7.043 1.00 0.00 C ATOM 1107 NZ LYS A 67 8.652 8.473 -6.893 1.00 0.00 N ATOM 0 H LYS A 67 5.817 12.938 -4.405 1.00 0.00 H new ATOM 0 HA LYS A 67 4.163 12.402 -6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.084 11.137 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.659 10.150 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.827 9.232 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.883 10.813 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.096 10.473 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.405 10.533 -6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.671 8.005 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.849 8.058 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.963 7.481 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.101 8.975 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.928 8.924 -5.997 1.00 0.00 H new ATOM 1121 N LYS A 68 2.695 11.351 -3.846 1.00 0.00 N ATOM 1122 CA LYS A 68 1.341 11.067 -3.298 1.00 0.00 C ATOM 1123 C LYS A 68 0.426 12.270 -3.531 1.00 0.00 C ATOM 1124 O LYS A 68 -0.718 12.124 -3.888 1.00 0.00 O ATOM 1125 CB LYS A 68 1.557 10.837 -1.803 1.00 0.00 C ATOM 1126 CG LYS A 68 1.213 9.388 -1.456 1.00 0.00 C ATOM 1127 CD LYS A 68 2.168 8.447 -2.192 1.00 0.00 C ATOM 1128 CE LYS A 68 1.720 6.999 -1.985 1.00 0.00 C ATOM 1129 NZ LYS A 68 1.370 6.508 -3.347 1.00 0.00 N ATOM 0 H LYS A 68 3.471 11.161 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 68 0.870 10.207 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.592 11.050 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.933 11.519 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.290 9.232 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.183 9.170 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.182 8.686 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.184 8.581 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.514 6.399 -1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.864 6.942 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.053 5.519 -3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.607 7.094 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.206 6.567 -3.963 1.00 0.00 H new ATOM 1143 N GLU A 69 0.917 13.459 -3.334 1.00 0.00 N ATOM 1144 CA GLU A 69 0.056 14.658 -3.552 1.00 0.00 C ATOM 1145 C GLU A 69 -0.774 14.492 -4.831 1.00 0.00 C ATOM 1146 O GLU A 69 -1.991 14.451 -4.795 1.00 0.00 O ATOM 1147 CB GLU A 69 1.033 15.827 -3.698 1.00 0.00 C ATOM 1148 CG GLU A 69 0.431 17.079 -3.058 1.00 0.00 C ATOM 1149 CD GLU A 69 1.537 18.107 -2.810 1.00 0.00 C ATOM 1150 OE1 GLU A 69 2.054 18.638 -3.779 1.00 0.00 O ATOM 1151 OE2 GLU A 69 1.848 18.347 -1.655 1.00 0.00 O ATOM 0 H GLU A 69 1.872 13.655 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.648 14.813 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.982 15.583 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.243 16.010 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.334 17.502 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.058 16.821 -2.119 1.00 0.00 H new ATOM 1158 N GLU A 70 -0.127 14.400 -5.961 1.00 0.00 N ATOM 1159 CA GLU A 70 -0.880 14.249 -7.244 1.00 0.00 C ATOM 1160 C GLU A 70 -1.404 12.817 -7.415 1.00 0.00 C ATOM 1161 O GLU A 70 -2.579 12.598 -7.653 1.00 0.00 O ATOM 1162 CB GLU A 70 0.142 14.574 -8.333 1.00 0.00 C ATOM 1163 CG GLU A 70 -0.568 15.222 -9.523 1.00 0.00 C ATOM 1164 CD GLU A 70 -0.721 16.723 -9.269 1.00 0.00 C ATOM 1165 OE1 GLU A 70 0.265 17.348 -8.918 1.00 0.00 O ATOM 1166 OE2 GLU A 70 -1.823 17.221 -9.431 1.00 0.00 O ATOM 0 H GLU A 70 0.889 14.423 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.753 14.900 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.905 15.246 -7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.652 13.665 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.002 15.053 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.547 14.765 -9.669 1.00 0.00 H new ATOM 1173 N MET A 71 -0.543 11.843 -7.309 1.00 0.00 N ATOM 1174 CA MET A 71 -0.988 10.429 -7.480 1.00 0.00 C ATOM 1175 C MET A 71 -2.161 10.116 -6.548 1.00 0.00 C ATOM 1176 O MET A 71 -3.121 9.483 -6.938 1.00 0.00 O ATOM 1177 CB MET A 71 0.231 9.585 -7.106 1.00 0.00 C ATOM 1178 CG MET A 71 1.308 9.744 -8.181 1.00 0.00 C ATOM 1179 SD MET A 71 1.177 8.388 -9.372 1.00 0.00 S ATOM 1180 CE MET A 71 2.195 9.125 -10.672 1.00 0.00 C ATOM 0 H MET A 71 0.450 11.964 -7.111 1.00 0.00 H new ATOM 0 HA MET A 71 -1.333 10.229 -8.494 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.620 9.897 -6.137 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.053 8.537 -7.013 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.191 10.701 -8.689 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.297 9.745 -7.723 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.251 8.443 -11.521 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.750 10.067 -10.992 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.198 9.309 -10.288 1.00 0.00 H new ATOM 1190 N LEU A 72 -2.092 10.552 -5.323 1.00 0.00 N ATOM 1191 CA LEU A 72 -3.206 10.270 -4.374 1.00 0.00 C ATOM 1192 C LEU A 72 -4.465 11.017 -4.808 1.00 0.00 C ATOM 1193 O LEU A 72 -5.560 10.565 -4.578 1.00 0.00 O ATOM 1194 CB LEU A 72 -2.726 10.753 -2.995 1.00 0.00 C ATOM 1195 CG LEU A 72 -3.007 12.252 -2.818 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -4.471 12.460 -2.423 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -2.102 12.812 -1.717 1.00 0.00 C ATOM 0 H LEU A 72 -1.316 11.090 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.457 9.210 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.230 10.188 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.658 10.563 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.808 12.769 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.666 13.525 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.119 12.061 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.672 11.942 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.300 13.876 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.303 12.291 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.058 12.668 -1.996 1.00 0.00 H new ATOM 1209 N LYS A 73 -4.320 12.158 -5.430 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.529 12.917 -5.870 1.00 0.00 C ATOM 1211 C LYS A 73 -6.350 12.067 -6.848 1.00 0.00 C ATOM 1212 O LYS A 73 -7.426 11.584 -6.528 1.00 0.00 O ATOM 1213 CB LYS A 73 -4.986 14.165 -6.567 1.00 0.00 C ATOM 1214 CG LYS A 73 -4.957 15.330 -5.577 1.00 0.00 C ATOM 1215 CD LYS A 73 -6.347 15.964 -5.495 1.00 0.00 C ATOM 1216 CE LYS A 73 -6.405 17.193 -6.405 1.00 0.00 C ATOM 1217 NZ LYS A 73 -7.855 17.507 -6.533 1.00 0.00 N ATOM 0 H LYS A 73 -3.425 12.594 -5.651 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.185 13.173 -5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.983 13.974 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.611 14.417 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.648 14.977 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.225 16.073 -5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.106 15.241 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.567 16.250 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.856 18.030 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.958 16.986 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.977 18.340 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.350 16.694 -6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.251 17.706 -5.592 1.00 0.00 H new ATOM 1231 N LYS A 74 -5.846 11.867 -8.036 1.00 0.00 N ATOM 1232 CA LYS A 74 -6.595 11.036 -9.024 1.00 0.00 C ATOM 1233 C LYS A 74 -7.049 9.746 -8.342 1.00 0.00 C ATOM 1234 O LYS A 74 -8.210 9.369 -8.381 1.00 0.00 O ATOM 1235 CB LYS A 74 -5.586 10.737 -10.136 1.00 0.00 C ATOM 1236 CG LYS A 74 -6.332 10.395 -11.428 1.00 0.00 C ATOM 1237 CD LYS A 74 -5.611 9.250 -12.146 1.00 0.00 C ATOM 1238 CE LYS A 74 -4.118 9.573 -12.256 1.00 0.00 C ATOM 1239 NZ LYS A 74 -3.728 9.133 -13.625 1.00 0.00 N ATOM 0 H LYS A 74 -4.955 12.240 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.483 11.532 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.939 11.600 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.944 9.906 -9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.359 10.108 -11.202 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.381 11.271 -12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.753 8.318 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.036 9.105 -13.139 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.933 10.638 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.543 9.047 -11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.716 9.322 -13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.909 8.114 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.286 9.655 -14.330 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.137 9.076 -7.696 1.00 0.00 N ATOM 1254 CA PHE A 75 -6.497 7.823 -6.985 1.00 0.00 C ATOM 1255 C PHE A 75 -7.526 8.142 -5.902 1.00 0.00 C ATOM 1256 O PHE A 75 -8.354 7.326 -5.555 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.187 7.334 -6.366 1.00 0.00 C ATOM 1258 CG PHE A 75 -4.446 6.481 -7.368 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -5.136 5.514 -8.111 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -3.071 6.657 -7.555 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -4.449 4.725 -9.041 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -2.385 5.867 -8.485 1.00 0.00 C ATOM 1263 CZ PHE A 75 -3.074 4.901 -9.228 1.00 0.00 C ATOM 0 H PHE A 75 -5.155 9.345 -7.631 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.935 7.069 -7.639 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.572 8.184 -6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.391 6.759 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.198 5.377 -7.966 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.539 7.402 -6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.981 3.980 -9.614 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.323 6.003 -8.629 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.544 4.292 -9.945 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.486 9.333 -5.372 1.00 0.00 N ATOM 1274 CA ARG A 76 -8.469 9.705 -4.321 1.00 0.00 C ATOM 1275 C ARG A 76 -9.860 9.309 -4.790 1.00 0.00 C ATOM 1276 O ARG A 76 -10.563 8.570 -4.137 1.00 0.00 O ATOM 1277 CB ARG A 76 -8.369 11.225 -4.176 1.00 0.00 C ATOM 1278 CG ARG A 76 -8.941 11.647 -2.821 1.00 0.00 C ATOM 1279 CD ARG A 76 -9.256 13.144 -2.844 1.00 0.00 C ATOM 1280 NE ARG A 76 -10.734 13.219 -3.008 1.00 0.00 N ATOM 1281 CZ ARG A 76 -11.281 14.286 -3.524 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -10.716 15.451 -3.364 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -12.393 14.187 -4.201 1.00 0.00 N ATOM 0 H ARG A 76 -6.817 10.061 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.275 9.207 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.329 11.541 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.916 11.715 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.845 11.078 -2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.226 11.427 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.935 13.630 -1.923 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.741 13.644 -3.664 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.319 12.436 -2.717 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.847 15.528 -2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.143 16.285 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.834 13.276 -4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.821 15.021 -4.604 1.00 0.00 H new ATOM 1297 N ASN A 77 -10.261 9.790 -5.931 1.00 0.00 N ATOM 1298 CA ASN A 77 -11.612 9.430 -6.445 1.00 0.00 C ATOM 1299 C ASN A 77 -11.708 7.920 -6.693 1.00 0.00 C ATOM 1300 O ASN A 77 -12.513 7.231 -6.093 1.00 0.00 O ATOM 1301 CB ASN A 77 -11.757 10.199 -7.760 1.00 0.00 C ATOM 1302 CG ASN A 77 -12.162 11.644 -7.466 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -11.326 12.430 -6.845 1.00 0.00 O flip ATOM 1304 ND2 ASN A 77 -13.251 12.063 -7.808 1.00 0.00 N flip ATOM 0 H ASN A 77 -9.717 10.413 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.399 9.683 -5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.816 10.179 -8.311 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.506 9.722 -8.392 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.904 11.448 -8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.511 13.029 -7.609 1.00 0.00 H new ATOM 1311 N ALA A 78 -10.906 7.401 -7.585 1.00 0.00 N ATOM 1312 CA ALA A 78 -10.973 5.937 -7.884 1.00 0.00 C ATOM 1313 C ALA A 78 -10.358 5.098 -6.754 1.00 0.00 C ATOM 1314 O ALA A 78 -11.046 4.356 -6.073 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.165 5.766 -9.169 1.00 0.00 C ATOM 0 H ALA A 78 -10.210 7.923 -8.118 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.004 5.598 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.163 4.716 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.614 6.362 -9.963 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.140 6.098 -9.001 1.00 0.00 H new ATOM 1321 N MET A 79 -9.069 5.192 -6.570 1.00 0.00 N ATOM 1322 CA MET A 79 -8.395 4.389 -5.505 1.00 0.00 C ATOM 1323 C MET A 79 -9.260 4.305 -4.243 1.00 0.00 C ATOM 1324 O MET A 79 -9.558 3.228 -3.765 1.00 0.00 O ATOM 1325 CB MET A 79 -7.091 5.128 -5.215 1.00 0.00 C ATOM 1326 CG MET A 79 -6.011 4.120 -4.819 1.00 0.00 C ATOM 1327 SD MET A 79 -5.044 4.780 -3.439 1.00 0.00 S ATOM 1328 CE MET A 79 -3.417 4.249 -4.027 1.00 0.00 C ATOM 0 H MET A 79 -8.449 5.793 -7.113 1.00 0.00 H new ATOM 0 HA MET A 79 -8.223 3.361 -5.825 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.775 5.689 -6.095 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.241 5.851 -4.413 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.470 3.173 -4.535 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.359 3.917 -5.669 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.653 4.558 -3.313 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.403 3.164 -4.127 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.214 4.705 -4.996 1.00 0.00 H new ATOM 1338 N LEU A 80 -9.668 5.417 -3.693 1.00 0.00 N ATOM 1339 CA LEU A 80 -10.509 5.348 -2.463 1.00 0.00 C ATOM 1340 C LEU A 80 -11.752 4.508 -2.739 1.00 0.00 C ATOM 1341 O LEU A 80 -12.149 3.697 -1.929 1.00 0.00 O ATOM 1342 CB LEU A 80 -10.892 6.789 -2.136 1.00 0.00 C ATOM 1343 CG LEU A 80 -9.622 7.621 -1.958 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -9.991 9.023 -1.471 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -8.710 6.947 -0.929 1.00 0.00 C ATOM 0 H LEU A 80 -9.460 6.355 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.980 4.885 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.504 7.205 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.492 6.821 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.101 7.695 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.084 9.615 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.639 9.504 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.513 8.951 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.804 7.540 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.231 6.872 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.444 5.949 -1.277 1.00 0.00 H new ATOM 1357 N LYS A 81 -12.365 4.683 -3.882 1.00 0.00 N ATOM 1358 CA LYS A 81 -13.574 3.870 -4.199 1.00 0.00 C ATOM 1359 C LYS A 81 -13.336 2.421 -3.766 1.00 0.00 C ATOM 1360 O LYS A 81 -14.010 1.903 -2.896 1.00 0.00 O ATOM 1361 CB LYS A 81 -13.728 3.959 -5.718 1.00 0.00 C ATOM 1362 CG LYS A 81 -15.209 3.848 -6.088 1.00 0.00 C ATOM 1363 CD LYS A 81 -15.928 5.148 -5.719 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.167 6.339 -6.305 1.00 0.00 C ATOM 1365 NZ LYS A 81 -16.221 7.324 -6.675 1.00 0.00 N ATOM 0 H LYS A 81 -12.083 5.348 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.468 4.224 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.321 4.903 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.161 3.162 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.314 3.652 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.663 3.007 -5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.949 5.132 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.995 5.244 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.471 6.759 -5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.580 6.043 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.774 8.209 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.803 6.937 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.823 7.515 -5.849 1.00 0.00 H new ATOM 1379 N SER A 82 -12.367 1.772 -4.350 1.00 0.00 N ATOM 1380 CA SER A 82 -12.073 0.363 -3.956 1.00 0.00 C ATOM 1381 C SER A 82 -11.316 0.346 -2.625 1.00 0.00 C ATOM 1382 O SER A 82 -11.770 -0.213 -1.645 1.00 0.00 O ATOM 1383 CB SER A 82 -11.197 -0.190 -5.078 1.00 0.00 C ATOM 1384 OG SER A 82 -10.250 0.797 -5.463 1.00 0.00 O ATOM 0 H SER A 82 -11.767 2.154 -5.081 1.00 0.00 H new ATOM 0 HA SER A 82 -12.978 -0.230 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.684 -1.092 -4.744 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.814 -0.472 -5.932 1.00 0.00 H new ATOM 0 HG SER A 82 -10.029 0.686 -6.411 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.165 0.961 -2.582 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.378 0.990 -1.317 1.00 0.00 C ATOM 1392 C ILE A 83 -10.298 1.305 -0.136 1.00 0.00 C ATOM 1393 O ILE A 83 -10.507 0.484 0.735 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.354 2.106 -1.513 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -7.397 1.725 -2.645 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -7.560 2.305 -0.220 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -6.673 0.425 -2.290 1.00 0.00 C ATOM 0 H ILE A 83 -9.735 1.445 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.900 0.034 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.870 3.032 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.950 1.602 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.673 2.524 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.829 3.102 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.241 2.575 0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.043 1.380 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.992 0.156 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.107 0.564 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.404 -0.372 -2.150 1.00 0.00 H new ATOM 1409 N CYS A 84 -10.855 2.487 -0.099 1.00 0.00 N ATOM 1410 CA CYS A 84 -11.764 2.838 1.029 1.00 0.00 C ATOM 1411 C CYS A 84 -12.722 1.677 1.291 1.00 0.00 C ATOM 1412 O CYS A 84 -12.977 1.311 2.420 1.00 0.00 O ATOM 1413 CB CYS A 84 -12.534 4.073 0.561 1.00 0.00 C ATOM 1414 SG CYS A 84 -13.248 4.918 1.994 1.00 0.00 S ATOM 0 H CYS A 84 -10.721 3.219 -0.796 1.00 0.00 H new ATOM 0 HA CYS A 84 -11.223 3.033 1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -11.868 4.747 0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.322 3.782 -0.133 1.00 0.00 H new ATOM 0 HG CYS A 84 -13.524 6.149 1.679 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.247 1.084 0.252 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.178 -0.061 0.446 1.00 0.00 C ATOM 1422 C GLU A 85 -13.543 -1.085 1.389 1.00 0.00 C ATOM 1423 O GLU A 85 -14.226 -1.811 2.084 1.00 0.00 O ATOM 1424 CB GLU A 85 -14.373 -0.659 -0.947 1.00 0.00 C ATOM 1425 CG GLU A 85 -15.780 -1.248 -1.059 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.653 -0.325 -1.913 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -17.147 0.653 -1.376 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -16.812 -0.612 -3.087 1.00 0.00 O ATOM 0 H GLU A 85 -13.071 1.343 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.127 0.242 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.227 0.109 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.628 -1.433 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.736 -2.241 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.217 -1.365 -0.067 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.237 -1.148 1.420 1.00 0.00 N ATOM 1436 CA VAL A 86 -11.563 -2.126 2.322 1.00 0.00 C ATOM 1437 C VAL A 86 -10.225 -1.574 2.822 1.00 0.00 C ATOM 1438 O VAL A 86 -9.181 -2.155 2.596 1.00 0.00 O ATOM 1439 CB VAL A 86 -11.340 -3.370 1.464 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -10.883 -4.527 2.353 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -12.649 -3.750 0.768 1.00 0.00 C ATOM 0 H VAL A 86 -11.611 -0.567 0.862 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.162 -2.339 3.208 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.576 -3.163 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -10.724 -5.415 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.952 -4.257 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.648 -4.735 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -12.491 -4.638 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.413 -3.958 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.977 -2.926 0.135 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.246 -0.467 3.509 1.00 0.00 N ATOM 1452 CA LEU A 87 -8.976 0.111 4.033 1.00 0.00 C ATOM 1453 C LEU A 87 -9.212 0.708 5.423 1.00 0.00 C ATOM 1454 O LEU A 87 -8.681 1.745 5.762 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.590 1.205 3.039 1.00 0.00 C ATOM 1456 CG LEU A 87 -7.144 1.628 3.298 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.196 0.527 2.819 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -6.845 2.922 2.539 1.00 0.00 C ATOM 0 H LEU A 87 -11.088 0.064 3.731 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.190 -0.638 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.698 0.840 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.257 2.061 3.144 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.001 1.792 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.165 0.829 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.407 -0.395 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.340 0.362 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.814 3.223 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.989 2.759 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.519 3.708 2.880 1.00 0.00 H new ATOM 1470 N ASP A 88 -10.011 0.060 6.227 1.00 0.00 N ATOM 1471 CA ASP A 88 -10.288 0.590 7.591 1.00 0.00 C ATOM 1472 C ASP A 88 -11.069 1.902 7.490 1.00 0.00 C ATOM 1473 O ASP A 88 -10.958 2.768 8.335 1.00 0.00 O ATOM 1474 CB ASP A 88 -8.912 0.832 8.215 1.00 0.00 C ATOM 1475 CG ASP A 88 -9.025 0.781 9.740 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -9.661 1.661 10.297 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -8.474 -0.136 10.325 1.00 0.00 O ATOM 0 H ASP A 88 -10.484 -0.814 5.997 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.887 -0.097 8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.206 0.078 7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.524 1.801 7.901 1.00 0.00 H new ATOM 1482 N LEU A 89 -11.855 2.057 6.460 1.00 0.00 N ATOM 1483 CA LEU A 89 -12.638 3.318 6.308 1.00 0.00 C ATOM 1484 C LEU A 89 -14.071 3.012 5.868 1.00 0.00 C ATOM 1485 O LEU A 89 -14.462 1.870 5.733 1.00 0.00 O ATOM 1486 CB LEU A 89 -11.904 4.110 5.226 1.00 0.00 C ATOM 1487 CG LEU A 89 -10.749 4.890 5.858 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -9.413 4.304 5.393 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -10.835 6.358 5.435 1.00 0.00 C ATOM 0 H LEU A 89 -11.989 1.369 5.719 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.710 3.871 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.524 3.434 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.593 4.796 4.732 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.816 4.817 6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.594 4.862 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.350 3.258 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.343 4.373 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.013 6.915 5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.770 6.428 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.784 6.778 5.770 1.00 0.00 H new ATOM 1501 N GLU A 90 -14.858 4.030 5.646 1.00 0.00 N ATOM 1502 CA GLU A 90 -16.267 3.806 5.216 1.00 0.00 C ATOM 1503 C GLU A 90 -16.725 4.936 4.289 1.00 0.00 C ATOM 1504 O GLU A 90 -17.904 5.142 4.083 1.00 0.00 O ATOM 1505 CB GLU A 90 -17.080 3.814 6.512 1.00 0.00 C ATOM 1506 CG GLU A 90 -17.575 2.398 6.814 1.00 0.00 C ATOM 1507 CD GLU A 90 -18.767 2.467 7.770 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -19.858 2.758 7.307 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -18.570 2.227 8.950 1.00 0.00 O ATOM 0 H GLU A 90 -14.585 5.008 5.744 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.387 2.874 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -16.467 4.180 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -17.927 4.494 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.865 1.898 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.773 1.808 7.258 1.00 0.00 H new ATOM 1516 N ARG A 91 -15.802 5.671 3.729 1.00 0.00 N ATOM 1517 CA ARG A 91 -16.190 6.787 2.817 1.00 0.00 C ATOM 1518 C ARG A 91 -16.929 7.874 3.601 1.00 0.00 C ATOM 1519 O ARG A 91 -18.090 7.734 3.930 1.00 0.00 O ATOM 1520 CB ARG A 91 -17.117 6.150 1.782 1.00 0.00 C ATOM 1521 CG ARG A 91 -16.595 6.445 0.375 1.00 0.00 C ATOM 1522 CD ARG A 91 -16.996 5.306 -0.565 1.00 0.00 C ATOM 1523 NE ARG A 91 -16.245 5.564 -1.825 1.00 0.00 N ATOM 1524 CZ ARG A 91 -16.749 6.354 -2.732 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -17.978 6.181 -3.139 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -16.027 7.321 -3.230 1.00 0.00 N ATOM 0 H ARG A 91 -14.798 5.548 3.863 1.00 0.00 H new ATOM 0 HA ARG A 91 -15.325 7.261 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -17.172 5.073 1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -18.128 6.541 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -17.003 7.389 0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -15.510 6.552 0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -16.736 4.335 -0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -18.072 5.300 -0.741 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.338 5.123 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -18.544 5.428 -2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -18.372 6.799 -3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.068 7.459 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.421 7.939 -3.939 1.00 0.00 H new ATOM 1540 N SER A 92 -16.267 8.958 3.905 1.00 0.00 N ATOM 1541 CA SER A 92 -16.939 10.051 4.667 1.00 0.00 C ATOM 1542 C SER A 92 -15.969 11.213 4.900 1.00 0.00 C ATOM 1543 O SER A 92 -15.417 11.366 5.971 1.00 0.00 O ATOM 1544 CB SER A 92 -17.337 9.410 5.996 1.00 0.00 C ATOM 1545 OG SER A 92 -16.524 8.268 6.229 1.00 0.00 O ATOM 0 H SER A 92 -15.293 9.134 3.660 1.00 0.00 H new ATOM 0 HA SER A 92 -17.797 10.461 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 92 -17.218 10.127 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 92 -18.389 9.124 5.974 1.00 0.00 H new ATOM 0 HG SER A 92 -16.776 7.856 7.082 1.00 0.00 H new ATOM 1551 N GLY A 93 -15.759 12.035 3.907 1.00 0.00 N ATOM 1552 CA GLY A 93 -14.824 13.185 4.080 1.00 0.00 C ATOM 1553 C GLY A 93 -14.989 14.165 2.916 1.00 0.00 C ATOM 1554 O GLY A 93 -15.664 13.884 1.946 1.00 0.00 O ATOM 0 H GLY A 93 -16.192 11.961 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.025 13.690 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.796 12.826 4.123 1.00 0.00 H new ATOM 1558 N VAL A 94 -14.375 15.314 3.006 1.00 0.00 N ATOM 1559 CA VAL A 94 -14.494 16.314 1.905 1.00 0.00 C ATOM 1560 C VAL A 94 -13.342 16.149 0.910 1.00 0.00 C ATOM 1561 O VAL A 94 -12.378 15.458 1.172 1.00 0.00 O ATOM 1562 CB VAL A 94 -14.415 17.673 2.602 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -14.266 18.780 1.556 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -15.696 17.903 3.408 1.00 0.00 C ATOM 0 H VAL A 94 -13.796 15.604 3.794 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.417 16.198 1.337 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.553 17.689 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -14.210 19.747 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.355 18.616 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.126 18.766 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.643 18.871 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -16.555 17.886 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.802 17.116 4.154 1.00 0.00 H new ATOM 1574 N ASN A 95 -13.436 16.776 -0.233 1.00 0.00 N ATOM 1575 CA ASN A 95 -12.347 16.652 -1.247 1.00 0.00 C ATOM 1576 C ASN A 95 -10.975 16.721 -0.572 1.00 0.00 C ATOM 1577 O ASN A 95 -10.215 15.773 -0.589 1.00 0.00 O ATOM 1578 CB ASN A 95 -12.543 17.841 -2.189 1.00 0.00 C ATOM 1579 CG ASN A 95 -13.645 17.516 -3.198 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -14.355 16.541 -3.046 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -13.817 18.294 -4.231 1.00 0.00 N ATOM 0 H ASN A 95 -14.219 17.368 -0.508 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.388 15.700 -1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.809 18.731 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.612 18.063 -2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -14.547 18.084 -4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.221 19.112 -4.358 1.00 0.00 H new ATOM 1588 N SER A 96 -10.649 17.837 0.021 1.00 0.00 N ATOM 1589 CA SER A 96 -9.324 17.963 0.693 1.00 0.00 C ATOM 1590 C SER A 96 -9.173 16.892 1.777 1.00 0.00 C ATOM 1591 O SER A 96 -8.152 16.241 1.880 1.00 0.00 O ATOM 1592 CB SER A 96 -9.327 19.359 1.314 1.00 0.00 C ATOM 1593 OG SER A 96 -9.840 20.290 0.372 1.00 0.00 O ATOM 0 H SER A 96 -11.242 18.666 0.069 1.00 0.00 H new ATOM 0 HA SER A 96 -8.495 17.827 -0.002 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.936 19.366 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.316 19.641 1.608 1.00 0.00 H new ATOM 0 HG SER A 96 -10.765 20.515 0.605 1.00 0.00 H new ATOM 1599 N GLU A 97 -10.181 16.704 2.584 1.00 0.00 N ATOM 1600 CA GLU A 97 -10.090 15.675 3.660 1.00 0.00 C ATOM 1601 C GLU A 97 -9.731 14.312 3.061 1.00 0.00 C ATOM 1602 O GLU A 97 -8.995 13.544 3.645 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.481 15.633 4.293 1.00 0.00 C ATOM 1604 CG GLU A 97 -11.346 15.652 5.817 1.00 0.00 C ATOM 1605 CD GLU A 97 -12.572 14.991 6.449 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -13.649 15.133 5.894 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -12.413 14.352 7.476 1.00 0.00 O ATOM 0 H GLU A 97 -11.062 17.217 2.546 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.318 15.913 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.071 16.486 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.011 14.735 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.440 15.125 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.251 16.679 6.171 1.00 0.00 H new ATOM 1614 N LEU A 98 -10.241 14.008 1.899 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.921 12.696 1.268 1.00 0.00 C ATOM 1616 C LEU A 98 -8.428 12.627 0.945 1.00 0.00 C ATOM 1617 O LEU A 98 -7.729 11.730 1.373 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.754 12.657 -0.013 1.00 0.00 C ATOM 1619 CG LEU A 98 -12.233 12.518 0.347 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -13.066 12.416 -0.932 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -12.437 11.256 1.188 1.00 0.00 C ATOM 0 H LEU A 98 -10.864 14.610 1.360 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.147 11.852 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.593 13.566 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.441 11.821 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.549 13.392 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.120 12.317 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.923 13.315 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.749 11.544 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.492 11.157 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.119 10.383 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.846 11.328 2.101 1.00 0.00 H new ATOM 1633 N VAL A 99 -7.932 13.577 0.199 1.00 0.00 N ATOM 1634 CA VAL A 99 -6.483 13.574 -0.141 1.00 0.00 C ATOM 1635 C VAL A 99 -5.657 13.560 1.148 1.00 0.00 C ATOM 1636 O VAL A 99 -4.841 12.687 1.365 1.00 0.00 O ATOM 1637 CB VAL A 99 -6.268 14.872 -0.926 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.791 15.275 -0.886 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -6.695 14.658 -2.381 1.00 0.00 C ATOM 0 H VAL A 99 -8.468 14.353 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.178 12.702 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.865 15.665 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.651 16.199 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.484 15.429 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.186 14.485 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.544 15.579 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.097 13.861 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.749 14.381 -2.414 1.00 0.00 H new ATOM 1649 N LYS A 100 -5.869 14.514 2.012 1.00 0.00 N ATOM 1650 CA LYS A 100 -5.099 14.541 3.287 1.00 0.00 C ATOM 1651 C LYS A 100 -5.222 13.188 3.995 1.00 0.00 C ATOM 1652 O LYS A 100 -4.347 12.779 4.732 1.00 0.00 O ATOM 1653 CB LYS A 100 -5.744 15.648 4.120 1.00 0.00 C ATOM 1654 CG LYS A 100 -4.656 16.574 4.668 1.00 0.00 C ATOM 1655 CD LYS A 100 -5.209 17.368 5.851 1.00 0.00 C ATOM 1656 CE LYS A 100 -5.686 16.400 6.938 1.00 0.00 C ATOM 1657 NZ LYS A 100 -5.067 16.899 8.197 1.00 0.00 N ATOM 0 H LYS A 100 -6.539 15.273 1.891 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.036 14.725 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.446 16.216 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.315 15.214 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.791 15.990 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.316 17.254 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.440 18.029 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.035 18.000 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.774 16.392 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.373 15.379 6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.348 16.286 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.031 16.889 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.389 17.871 8.381 1.00 0.00 H new ATOM 1671 N ARG A 101 -6.304 12.488 3.774 1.00 0.00 N ATOM 1672 CA ARG A 101 -6.478 11.163 4.433 1.00 0.00 C ATOM 1673 C ARG A 101 -5.409 10.188 3.940 1.00 0.00 C ATOM 1674 O ARG A 101 -4.821 9.457 4.712 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.869 10.684 4.019 1.00 0.00 C ATOM 1676 CG ARG A 101 -8.391 9.689 5.057 1.00 0.00 C ATOM 1677 CD ARG A 101 -8.642 10.417 6.379 1.00 0.00 C ATOM 1678 NE ARG A 101 -8.109 9.506 7.429 1.00 0.00 N ATOM 1679 CZ ARG A 101 -8.681 8.355 7.647 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -9.983 8.264 7.648 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -7.953 7.294 7.865 1.00 0.00 N ATOM 0 H ARG A 101 -7.072 12.777 3.167 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.380 11.228 5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.549 11.532 3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.827 10.214 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.313 9.227 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.668 8.886 5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.136 11.382 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.704 10.611 6.527 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.295 9.783 7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -10.552 9.093 7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -10.431 7.364 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.935 7.365 7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.402 6.394 8.035 1.00 0.00 H new ATOM 1695 N ILE A 102 -5.142 10.175 2.662 1.00 0.00 N ATOM 1696 CA ILE A 102 -4.099 9.245 2.139 1.00 0.00 C ATOM 1697 C ILE A 102 -2.742 9.629 2.730 1.00 0.00 C ATOM 1698 O ILE A 102 -1.884 8.795 2.942 1.00 0.00 O ATOM 1699 CB ILE A 102 -4.105 9.402 0.611 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -3.311 10.647 0.203 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -5.544 9.532 0.107 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -1.870 10.246 -0.124 1.00 0.00 C ATOM 0 H ILE A 102 -5.596 10.762 1.962 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.295 8.208 2.413 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.641 8.520 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.774 11.120 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.322 11.380 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.541 9.643 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.107 8.639 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.011 10.407 0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.303 11.131 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.410 9.793 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.869 9.529 -0.945 1.00 0.00 H new ATOM 1714 N LEU A 103 -2.547 10.891 3.012 1.00 0.00 N ATOM 1715 CA LEU A 103 -1.253 11.326 3.605 1.00 0.00 C ATOM 1716 C LEU A 103 -1.134 10.766 5.022 1.00 0.00 C ATOM 1717 O LEU A 103 -0.053 10.593 5.545 1.00 0.00 O ATOM 1718 CB LEU A 103 -1.313 12.854 3.631 1.00 0.00 C ATOM 1719 CG LEU A 103 -1.601 13.384 2.227 1.00 0.00 C ATOM 1720 CD1 LEU A 103 -1.831 14.894 2.290 1.00 0.00 C ATOM 1721 CD2 LEU A 103 -0.406 13.090 1.316 1.00 0.00 C ATOM 0 H LEU A 103 -3.227 11.635 2.857 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.391 10.973 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.089 13.185 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.369 13.258 3.996 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.491 12.896 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.036 15.273 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.680 15.106 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.940 15.381 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.611 13.468 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.483 13.579 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.239 12.014 1.271 1.00 0.00 H new ATOM 1733 N ASN A 104 -2.248 10.482 5.643 1.00 0.00 N ATOM 1734 CA ASN A 104 -2.219 9.931 7.027 1.00 0.00 C ATOM 1735 C ASN A 104 -2.317 8.402 6.994 1.00 0.00 C ATOM 1736 O ASN A 104 -2.078 7.734 7.980 1.00 0.00 O ATOM 1737 CB ASN A 104 -3.446 10.529 7.714 1.00 0.00 C ATOM 1738 CG ASN A 104 -3.176 11.995 8.054 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -3.007 12.343 9.206 1.00 0.00 O ATOM 1740 ND2 ASN A 104 -3.126 12.876 7.092 1.00 0.00 N ATOM 0 H ASN A 104 -3.180 10.609 5.248 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.295 10.178 7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.316 10.450 7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.676 9.971 8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.945 13.856 7.307 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.268 12.584 6.125 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.676 7.845 5.870 1.00 0.00 N ATOM 1748 CA PHE A 105 -2.799 6.361 5.781 1.00 0.00 C ATOM 1749 C PHE A 105 -1.864 5.805 4.704 1.00 0.00 C ATOM 1750 O PHE A 105 -0.960 5.044 4.984 1.00 0.00 O ATOM 1751 CB PHE A 105 -4.257 6.112 5.399 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.720 4.812 6.008 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -4.046 3.622 5.712 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -5.817 4.799 6.875 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -4.472 2.416 6.286 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -6.243 3.596 7.449 1.00 0.00 C ATOM 1757 CZ PHE A 105 -5.570 2.404 7.155 1.00 0.00 C ATOM 0 H PHE A 105 -2.889 8.351 5.011 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.526 5.871 6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.882 6.933 5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.359 6.075 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.199 3.633 5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.336 5.718 7.102 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.953 1.496 6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.090 3.587 8.118 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.898 1.475 7.598 1.00 0.00 H new ATOM 1767 N LEU A 106 -2.085 6.172 3.475 1.00 0.00 N ATOM 1768 CA LEU A 106 -1.224 5.660 2.369 1.00 0.00 C ATOM 1769 C LEU A 106 0.247 5.997 2.634 1.00 0.00 C ATOM 1770 O LEU A 106 1.135 5.255 2.269 1.00 0.00 O ATOM 1771 CB LEU A 106 -1.738 6.375 1.121 1.00 0.00 C ATOM 1772 CG LEU A 106 -2.991 5.659 0.597 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -2.580 4.410 -0.183 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -3.896 5.252 1.766 1.00 0.00 C ATOM 0 H LEU A 106 -2.828 6.808 3.185 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.273 4.576 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.971 7.414 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.965 6.387 0.352 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.537 6.339 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.471 3.903 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.949 4.698 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.027 3.738 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.781 4.745 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.353 4.580 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.199 6.141 2.319 1.00 0.00 H new ATOM 1786 N MET A 107 0.516 7.099 3.278 1.00 0.00 N ATOM 1787 CA MET A 107 1.935 7.454 3.573 1.00 0.00 C ATOM 1788 C MET A 107 2.381 6.724 4.841 1.00 0.00 C ATOM 1789 O MET A 107 3.555 6.558 5.101 1.00 0.00 O ATOM 1790 CB MET A 107 1.942 8.968 3.787 1.00 0.00 C ATOM 1791 CG MET A 107 2.324 9.664 2.479 1.00 0.00 C ATOM 1792 SD MET A 107 3.236 11.183 2.845 1.00 0.00 S ATOM 1793 CE MET A 107 2.732 12.106 1.372 1.00 0.00 C ATOM 0 H MET A 107 -0.180 7.766 3.611 1.00 0.00 H new ATOM 0 HA MET A 107 2.616 7.168 2.771 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.959 9.304 4.117 1.00 0.00 H new ATOM 0 HB3 MET A 107 2.650 9.232 4.573 1.00 0.00 H new ATOM 0 HG2 MET A 107 2.934 9.000 1.866 1.00 0.00 H new ATOM 0 HG3 MET A 107 1.428 9.895 1.903 1.00 0.00 H new ATOM 0 HE1 MET A 107 2.534 13.143 1.643 1.00 0.00 H new ATOM 0 HE2 MET A 107 3.529 12.070 0.630 1.00 0.00 H new ATOM 0 HE3 MET A 107 1.828 11.661 0.955 1.00 0.00 H new ATOM 1803 N HIS A 108 1.436 6.279 5.621 1.00 0.00 N ATOM 1804 CA HIS A 108 1.765 5.542 6.874 1.00 0.00 C ATOM 1805 C HIS A 108 0.468 5.191 7.605 1.00 0.00 C ATOM 1806 O HIS A 108 -0.079 5.994 8.334 1.00 0.00 O ATOM 1807 CB HIS A 108 2.628 6.494 7.704 1.00 0.00 C ATOM 1808 CG HIS A 108 1.921 7.808 7.878 1.00 0.00 C ATOM 1809 ND1 HIS A 108 1.827 8.435 9.110 1.00 0.00 N ATOM 1810 CD2 HIS A 108 1.282 8.631 6.986 1.00 0.00 C ATOM 1811 CE1 HIS A 108 1.157 9.586 8.927 1.00 0.00 C ATOM 1812 NE2 HIS A 108 0.801 9.755 7.652 1.00 0.00 N ATOM 0 H HIS A 108 0.439 6.396 5.442 1.00 0.00 H new ATOM 0 HA HIS A 108 2.296 4.609 6.685 1.00 0.00 H new ATOM 0 HB2 HIS A 108 2.837 6.052 8.678 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.588 6.650 7.212 1.00 0.00 H new ATOM 0 HD2 HIS A 108 1.169 8.437 5.930 1.00 0.00 H new ATOM 0 HE1 HIS A 108 0.934 10.289 9.716 1.00 0.00 H new ATOM 0 HE2 HIS A 108 0.287 10.539 7.251 1.00 0.00 H new ATOM 1820 N PRO A 109 0.013 3.995 7.357 1.00 0.00 N ATOM 1821 CA PRO A 109 -1.248 3.506 7.968 1.00 0.00 C ATOM 1822 C PRO A 109 -1.071 3.266 9.471 1.00 0.00 C ATOM 1823 O PRO A 109 -1.287 4.148 10.278 1.00 0.00 O ATOM 1824 CB PRO A 109 -1.511 2.194 7.231 1.00 0.00 C ATOM 1825 CG PRO A 109 -0.167 1.744 6.758 1.00 0.00 C ATOM 1826 CD PRO A 109 0.634 2.988 6.490 1.00 0.00 C ATOM 0 HA PRO A 109 -2.070 4.217 7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.966 1.455 7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.196 2.340 6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.321 1.124 7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.257 1.139 5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 109 1.687 2.846 6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.584 3.278 5.440 1.00 0.00 H new ATOM 1834 N LYS A 110 -0.683 2.078 9.851 1.00 0.00 N ATOM 1835 CA LYS A 110 -0.495 1.779 11.305 1.00 0.00 C ATOM 1836 C LYS A 110 -1.852 1.719 12.011 1.00 0.00 C ATOM 1837 O LYS A 110 -2.092 0.747 12.709 1.00 0.00 O ATOM 1838 CB LYS A 110 0.340 2.939 11.854 1.00 0.00 C ATOM 1839 CG LYS A 110 1.453 2.390 12.748 1.00 0.00 C ATOM 1840 CD LYS A 110 2.514 3.471 12.960 1.00 0.00 C ATOM 1841 CE LYS A 110 3.230 3.750 11.637 1.00 0.00 C ATOM 1842 NZ LYS A 110 3.380 5.230 11.584 1.00 0.00 N ATOM 0 H LYS A 110 -0.488 1.301 9.220 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.006 0.818 11.464 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.769 3.513 11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.294 3.620 12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.042 2.075 13.707 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.902 1.509 12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.049 4.383 13.334 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.232 3.148 13.713 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.200 3.254 11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.651 3.381 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.863 5.499 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.441 5.675 11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.941 5.551 12.399 1.00 0.00 H new TER 1856 LYS A 110