USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 866 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 36 THR OG1 : rot 159:sc= 1.25 USER MOD Set 1.2: A 82 MET CE :methyl -170:sc= -3.47 (180deg=-3.72!) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 179:sc= 0.919 (180deg=-0.00911) USER MOD Set 2.2: A 27 SER OG : rot -90:sc= 0.798 USER MOD Set 3.1: A 18 ASN : amide:sc= 1.02 K(o=2.3,f=-1.8) USER MOD Set 3.2: A 22 GLN : amide:sc= 1.23 K(o=2.3,f=-1.4!) USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.538 USER MOD Set 4.2: A 16 THR OG1 : rot 81:sc= 0.583 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 11 CYS SG : rot 130:sc= -0.0204 USER MOD Single : A 12 HIS : no HE2:sc= 0.974 K(o=0.97,f=-4.5!) USER MOD Single : A 20 GLN : amide:sc= 0.0197 K(o=0.02,f=-1.8) USER MOD Single : A 25 ASN : amide:sc= 1.19 K(o=1.2,f=-0.099) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0398 USER MOD Single : A 38 SER OG : rot 80:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= -1.21! (180deg=-3.33!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0919 X(o=-0.092,f=-0.46) USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= 0.709 (180deg=-1.49!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 84 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 86 MET CE :methyl -130:sc= -1.92! (180deg=-3.14!) USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= 0.452 (180deg=0.224) USER MOD Single : A 92 LYS NZ :NH3+ -165:sc= -0.0709 (180deg=-0.43) USER MOD Single : A 96 LYS NZ :NH3+ 159:sc= -0.139 (180deg=-0.754) USER MOD Single : A 101 LYS NZ :NH3+ -165:sc= 1.21 (180deg=0.842) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 1.4 K(o=1.4,f=0.23) USER MOD Single : A 107 SER OG : rot 73:sc= 0.958 USER MOD Single : A 108 THR OG1 : rot 71:sc= 0.831 USER MOD Single : A 111 LYS NZ :NH3+ -171:sc=-0.00913 (180deg=-0.104) USER MOD Single : A 112 HIS : no HD1:sc= -1.99! C(o=-2!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.734 0.152 -11.538 1.00 0.00 N ATOM 70 CA GLY A 6 -3.761 -0.890 -11.352 1.00 0.00 C ATOM 71 C GLY A 6 -2.396 -0.369 -11.049 1.00 0.00 C ATOM 72 O GLY A 6 -1.414 -1.103 -11.161 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.084 -1.540 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.718 -1.503 -12.252 1.00 0.00 H new ATOM 76 N GLN A 7 -2.301 0.883 -10.672 1.00 0.00 N ATOM 77 CA GLN A 7 -1.007 1.424 -10.433 1.00 0.00 C ATOM 78 C GLN A 7 -0.560 1.322 -9.027 1.00 0.00 C ATOM 79 O GLN A 7 -1.247 1.714 -8.078 1.00 0.00 O ATOM 80 CB GLN A 7 -0.834 2.824 -10.954 1.00 0.00 C ATOM 81 CG GLN A 7 -1.870 3.823 -10.486 1.00 0.00 C ATOM 82 CD GLN A 7 -1.599 5.216 -11.004 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.449 5.597 -11.232 1.00 0.00 O ATOM 84 NE2 GLN A 7 -2.640 5.980 -11.198 1.00 0.00 N ATOM 0 H GLN A 7 -3.084 1.521 -10.530 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.349 0.780 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.152 3.184 -10.660 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.850 2.793 -12.043 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.857 3.501 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.888 3.840 -9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.576 5.627 -10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.517 6.929 -11.550 1.00 0.00 H new ATOM 93 N VAL A 8 0.583 0.768 -8.920 1.00 0.00 N ATOM 94 CA VAL A 8 1.292 0.617 -7.692 1.00 0.00 C ATOM 95 C VAL A 8 2.596 1.357 -7.837 1.00 0.00 C ATOM 96 O VAL A 8 3.398 1.022 -8.721 1.00 0.00 O ATOM 97 CB VAL A 8 1.578 -0.877 -7.371 1.00 0.00 C ATOM 98 CG1 VAL A 8 2.337 -1.016 -6.058 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.283 -1.686 -7.326 1.00 0.00 C ATOM 0 H VAL A 8 1.084 0.384 -9.721 1.00 0.00 H new ATOM 0 HA VAL A 8 0.690 1.013 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 8 2.201 -1.275 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.525 -2.071 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.287 -0.485 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.744 -0.592 -5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.512 -2.727 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.372 -1.282 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.217 -1.626 -8.293 1.00 0.00 H new ATOM 109 N ILE A 9 2.824 2.354 -7.036 1.00 0.00 N ATOM 110 CA ILE A 9 4.067 3.069 -7.133 1.00 0.00 C ATOM 111 C ILE A 9 5.097 2.454 -6.197 1.00 0.00 C ATOM 112 O ILE A 9 4.964 2.522 -4.971 1.00 0.00 O ATOM 113 CB ILE A 9 3.884 4.574 -6.819 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.869 5.202 -7.791 1.00 0.00 C ATOM 115 CG2 ILE A 9 5.217 5.318 -6.882 1.00 0.00 C ATOM 116 CD1 ILE A 9 3.229 5.069 -9.268 1.00 0.00 C ATOM 0 H ILE A 9 2.180 2.689 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 9 4.422 2.987 -8.160 1.00 0.00 H new ATOM 0 HB ILE A 9 3.500 4.664 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.896 4.740 -7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.764 6.260 -7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.056 6.372 -6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.906 4.892 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.641 5.221 -7.881 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.456 5.541 -9.875 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.185 5.557 -9.455 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.303 4.014 -9.531 1.00 0.00 H new ATOM 128 N ALA A 10 6.114 1.857 -6.770 1.00 0.00 N ATOM 129 CA ALA A 10 7.158 1.220 -6.003 1.00 0.00 C ATOM 130 C ALA A 10 8.253 2.215 -5.724 1.00 0.00 C ATOM 131 O ALA A 10 8.908 2.708 -6.647 1.00 0.00 O ATOM 132 CB ALA A 10 7.708 0.009 -6.743 1.00 0.00 C ATOM 0 H ALA A 10 6.242 1.799 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 10 6.743 0.872 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.493 -0.456 -6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.906 -0.710 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.119 0.324 -7.702 1.00 0.00 H new ATOM 138 N CYS A 11 8.447 2.527 -4.480 1.00 0.00 N ATOM 139 CA CYS A 11 9.422 3.476 -4.109 1.00 0.00 C ATOM 140 C CYS A 11 10.720 2.781 -3.773 1.00 0.00 C ATOM 141 O CYS A 11 10.752 1.865 -2.953 1.00 0.00 O ATOM 142 CB CYS A 11 8.937 4.245 -2.908 1.00 0.00 C ATOM 143 SG CYS A 11 7.263 4.910 -3.095 1.00 0.00 S ATOM 0 H CYS A 11 7.927 2.124 -3.700 1.00 0.00 H new ATOM 0 HA CYS A 11 9.591 4.160 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.964 3.593 -2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.625 5.067 -2.712 1.00 0.00 H new ATOM 0 HG CYS A 11 6.550 4.589 -2.056 1.00 0.00 H new ATOM 149 N HIS A 12 11.768 3.188 -4.430 1.00 0.00 N ATOM 150 CA HIS A 12 13.102 2.707 -4.138 1.00 0.00 C ATOM 151 C HIS A 12 13.916 3.818 -3.539 1.00 0.00 C ATOM 152 O HIS A 12 15.093 3.645 -3.231 1.00 0.00 O ATOM 153 CB HIS A 12 13.795 2.140 -5.377 1.00 0.00 C ATOM 154 CG HIS A 12 13.190 0.873 -5.871 1.00 0.00 C ATOM 155 ND1 HIS A 12 13.710 -0.358 -5.576 1.00 0.00 N ATOM 156 CD2 HIS A 12 12.094 0.646 -6.630 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.964 -1.292 -6.124 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.982 -0.709 -6.766 1.00 0.00 N ATOM 0 H HIS A 12 11.728 3.867 -5.190 1.00 0.00 H new ATOM 0 HA HIS A 12 13.016 1.889 -3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.762 2.883 -6.174 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.846 1.965 -5.147 1.00 0.00 H new ATOM 0 HD1 HIS A 12 14.547 -0.525 -5.017 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.434 1.392 -7.048 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.132 -2.357 -6.056 1.00 0.00 H new ATOM 167 N THR A 13 13.266 4.949 -3.345 1.00 0.00 N ATOM 168 CA THR A 13 13.885 6.119 -2.786 1.00 0.00 C ATOM 169 C THR A 13 12.852 6.854 -1.968 1.00 0.00 C ATOM 170 O THR A 13 11.636 6.684 -2.199 1.00 0.00 O ATOM 171 CB THR A 13 14.422 7.083 -3.887 1.00 0.00 C ATOM 172 OG1 THR A 13 13.368 7.414 -4.802 1.00 0.00 O ATOM 173 CG2 THR A 13 15.607 6.492 -4.645 1.00 0.00 C ATOM 0 H THR A 13 12.281 5.075 -3.577 1.00 0.00 H new ATOM 0 HA THR A 13 14.732 5.799 -2.179 1.00 0.00 H new ATOM 0 HB THR A 13 14.774 7.986 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.711 8.021 -5.491 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.945 7.201 -5.401 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.420 6.289 -3.948 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.303 5.563 -5.128 1.00 0.00 H new ATOM 181 N VAL A 14 13.306 7.653 -1.028 1.00 0.00 N ATOM 182 CA VAL A 14 12.422 8.450 -0.212 1.00 0.00 C ATOM 183 C VAL A 14 11.778 9.542 -1.075 1.00 0.00 C ATOM 184 O VAL A 14 10.710 10.030 -0.769 1.00 0.00 O ATOM 185 CB VAL A 14 13.172 9.067 1.020 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.282 10.024 0.593 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.206 9.742 1.986 1.00 0.00 C ATOM 0 H VAL A 14 14.296 7.767 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 14 11.640 7.805 0.188 1.00 0.00 H new ATOM 0 HB VAL A 14 13.643 8.238 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.775 10.428 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 14 15.011 9.488 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.855 10.841 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.762 10.157 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.676 10.543 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.487 9.009 2.353 1.00 0.00 H new ATOM 197 N GLU A 15 12.437 9.872 -2.182 1.00 0.00 N ATOM 198 CA GLU A 15 11.959 10.879 -3.117 1.00 0.00 C ATOM 199 C GLU A 15 10.628 10.447 -3.725 1.00 0.00 C ATOM 200 O GLU A 15 9.655 11.200 -3.703 1.00 0.00 O ATOM 201 CB GLU A 15 12.975 11.050 -4.231 1.00 0.00 C ATOM 202 CG GLU A 15 12.603 12.096 -5.258 1.00 0.00 C ATOM 203 CD GLU A 15 13.582 12.145 -6.390 1.00 0.00 C ATOM 204 OE1 GLU A 15 14.674 12.726 -6.222 1.00 0.00 O ATOM 205 OE2 GLU A 15 13.279 11.607 -7.474 1.00 0.00 O ATOM 0 H GLU A 15 13.322 9.445 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 15 11.822 11.819 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.937 11.315 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.108 10.093 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.608 11.883 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.554 13.074 -4.778 1.00 0.00 H new ATOM 212 N THR A 16 10.600 9.221 -4.250 1.00 0.00 N ATOM 213 CA THR A 16 9.401 8.663 -4.857 1.00 0.00 C ATOM 214 C THR A 16 8.270 8.593 -3.821 1.00 0.00 C ATOM 215 O THR A 16 7.108 8.895 -4.116 1.00 0.00 O ATOM 216 CB THR A 16 9.704 7.256 -5.399 1.00 0.00 C ATOM 217 OG1 THR A 16 10.817 7.328 -6.301 1.00 0.00 O ATOM 218 CG2 THR A 16 8.509 6.675 -6.131 1.00 0.00 C ATOM 0 H THR A 16 11.405 8.594 -4.264 1.00 0.00 H new ATOM 0 HA THR A 16 9.085 9.305 -5.679 1.00 0.00 H new ATOM 0 HB THR A 16 9.936 6.608 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.653 7.341 -5.789 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.757 5.680 -6.501 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.662 6.607 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.248 7.320 -6.970 1.00 0.00 H new ATOM 226 N TRP A 17 8.643 8.210 -2.619 1.00 0.00 N ATOM 227 CA TRP A 17 7.733 8.143 -1.500 1.00 0.00 C ATOM 228 C TRP A 17 7.153 9.541 -1.193 1.00 0.00 C ATOM 229 O TRP A 17 5.936 9.733 -1.161 1.00 0.00 O ATOM 230 CB TRP A 17 8.508 7.561 -0.298 1.00 0.00 C ATOM 231 CG TRP A 17 7.777 7.521 1.004 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.133 8.170 2.146 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.573 6.809 1.304 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.241 7.896 3.142 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.268 7.064 2.654 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.726 5.983 0.571 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.152 6.522 3.281 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.618 5.446 1.196 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.342 5.717 2.539 1.00 0.00 C ATOM 0 H TRP A 17 9.598 7.934 -2.390 1.00 0.00 H new ATOM 0 HA TRP A 17 6.884 7.498 -1.727 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.816 6.546 -0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.418 8.146 -0.162 1.00 0.00 H new ATOM 0 HD1 TRP A 17 8.997 8.810 2.249 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.291 8.253 4.096 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.931 5.766 -0.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.935 6.732 4.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.953 4.805 0.637 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.468 5.279 2.998 1.00 0.00 H new ATOM 250 N ASN A 18 8.038 10.497 -1.034 1.00 0.00 N ATOM 251 CA ASN A 18 7.698 11.876 -0.695 1.00 0.00 C ATOM 252 C ASN A 18 6.797 12.535 -1.757 1.00 0.00 C ATOM 253 O ASN A 18 5.773 13.147 -1.422 1.00 0.00 O ATOM 254 CB ASN A 18 8.993 12.676 -0.531 1.00 0.00 C ATOM 255 CG ASN A 18 8.771 14.095 -0.090 1.00 0.00 C ATOM 256 OD1 ASN A 18 8.622 14.997 -0.901 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.768 14.306 1.191 1.00 0.00 N ATOM 0 H ASN A 18 9.041 10.343 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 18 7.133 11.869 0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.631 12.174 0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.531 12.679 -1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.638 15.251 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.896 13.527 1.837 1.00 0.00 H new ATOM 264 N GLU A 19 7.176 12.376 -3.021 1.00 0.00 N ATOM 265 CA GLU A 19 6.466 12.967 -4.167 1.00 0.00 C ATOM 266 C GLU A 19 4.978 12.576 -4.184 1.00 0.00 C ATOM 267 O GLU A 19 4.084 13.437 -4.335 1.00 0.00 O ATOM 268 CB GLU A 19 7.148 12.504 -5.469 1.00 0.00 C ATOM 269 CG GLU A 19 6.452 12.947 -6.745 1.00 0.00 C ATOM 270 CD GLU A 19 7.143 12.448 -7.989 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.190 11.208 -8.220 1.00 0.00 O ATOM 272 OE2 GLU A 19 7.619 13.280 -8.788 1.00 0.00 O ATOM 0 H GLU A 19 7.993 11.828 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 19 6.514 14.052 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.171 12.880 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.209 11.416 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.423 12.587 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.408 14.036 -6.771 1.00 0.00 H new ATOM 279 N GLN A 20 4.720 11.304 -4.021 1.00 0.00 N ATOM 280 CA GLN A 20 3.402 10.777 -4.002 1.00 0.00 C ATOM 281 C GLN A 20 2.632 11.148 -2.749 1.00 0.00 C ATOM 282 O GLN A 20 1.423 11.349 -2.810 1.00 0.00 O ATOM 283 CB GLN A 20 3.473 9.291 -4.208 1.00 0.00 C ATOM 284 CG GLN A 20 3.530 8.855 -5.672 1.00 0.00 C ATOM 285 CD GLN A 20 4.493 9.655 -6.537 1.00 0.00 C ATOM 286 OE1 GLN A 20 4.104 10.646 -7.142 1.00 0.00 O ATOM 287 NE2 GLN A 20 5.731 9.273 -6.574 1.00 0.00 N ATOM 0 H GLN A 20 5.446 10.598 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 20 2.837 11.228 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.354 8.908 -3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.604 8.830 -3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.814 7.803 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.530 8.932 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.024 8.443 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.412 9.803 -7.118 1.00 0.00 H new ATOM 296 N LEU A 21 3.316 11.264 -1.622 1.00 0.00 N ATOM 297 CA LEU A 21 2.688 11.622 -0.401 1.00 0.00 C ATOM 298 C LEU A 21 2.161 13.020 -0.419 1.00 0.00 C ATOM 299 O LEU A 21 1.080 13.267 0.097 1.00 0.00 O ATOM 300 CB LEU A 21 3.625 11.474 0.740 1.00 0.00 C ATOM 301 CG LEU A 21 4.016 10.086 1.195 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.938 10.206 2.390 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.785 9.257 1.550 1.00 0.00 C ATOM 0 H LEU A 21 4.321 11.109 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 21 1.846 10.941 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.541 12.006 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.186 11.988 1.595 1.00 0.00 H new ATOM 0 HG LEU A 21 4.531 9.574 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.227 9.211 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.829 10.766 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.422 10.727 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.096 8.264 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.237 9.746 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.141 9.168 0.675 1.00 0.00 H new ATOM 315 N GLN A 22 2.923 13.936 -0.974 1.00 0.00 N ATOM 316 CA GLN A 22 2.475 15.305 -1.075 1.00 0.00 C ATOM 317 C GLN A 22 1.198 15.363 -1.891 1.00 0.00 C ATOM 318 O GLN A 22 0.206 15.971 -1.482 1.00 0.00 O ATOM 319 CB GLN A 22 3.514 16.190 -1.735 1.00 0.00 C ATOM 320 CG GLN A 22 4.858 16.259 -1.054 1.00 0.00 C ATOM 321 CD GLN A 22 5.753 17.267 -1.736 1.00 0.00 C ATOM 322 OE1 GLN A 22 5.280 18.257 -2.288 1.00 0.00 O ATOM 323 NE2 GLN A 22 7.029 17.035 -1.724 1.00 0.00 N ATOM 0 H GLN A 22 3.850 13.759 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 22 2.303 15.670 -0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.665 15.839 -2.756 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.111 17.201 -1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.727 16.532 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.330 15.277 -1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.392 16.204 -1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.670 17.684 -2.181 1.00 0.00 H new ATOM 332 N LYS A 23 1.218 14.677 -3.023 1.00 0.00 N ATOM 333 CA LYS A 23 0.096 14.660 -3.931 1.00 0.00 C ATOM 334 C LYS A 23 -1.114 14.025 -3.222 1.00 0.00 C ATOM 335 O LYS A 23 -2.213 14.585 -3.243 1.00 0.00 O ATOM 336 CB LYS A 23 0.473 13.873 -5.217 1.00 0.00 C ATOM 337 CG LYS A 23 -0.405 14.138 -6.470 1.00 0.00 C ATOM 338 CD LYS A 23 -1.867 13.763 -6.290 1.00 0.00 C ATOM 339 CE LYS A 23 -2.686 14.097 -7.530 1.00 0.00 C ATOM 340 NZ LYS A 23 -4.125 13.812 -7.343 1.00 0.00 N ATOM 0 H LYS A 23 2.014 14.119 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.166 15.676 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.508 14.106 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.432 12.808 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.341 15.195 -6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.002 13.578 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.947 12.697 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.276 14.292 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.555 15.151 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.311 13.522 -8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.645 14.070 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.256 12.798 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.487 14.367 -6.541 1.00 0.00 H new ATOM 354 N ALA A 24 -0.896 12.888 -2.546 1.00 0.00 N ATOM 355 CA ALA A 24 -1.992 12.187 -1.894 1.00 0.00 C ATOM 356 C ALA A 24 -2.544 12.990 -0.725 1.00 0.00 C ATOM 357 O ALA A 24 -3.734 12.912 -0.414 1.00 0.00 O ATOM 358 CB ALA A 24 -1.549 10.805 -1.430 1.00 0.00 C ATOM 0 H ALA A 24 0.017 12.446 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.790 12.067 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.384 10.299 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.220 10.221 -2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.726 10.905 -0.723 1.00 0.00 H new ATOM 364 N ASN A 25 -1.689 13.780 -0.109 1.00 0.00 N ATOM 365 CA ASN A 25 -2.063 14.569 1.049 1.00 0.00 C ATOM 366 C ASN A 25 -2.917 15.731 0.621 1.00 0.00 C ATOM 367 O ASN A 25 -4.025 15.927 1.120 1.00 0.00 O ATOM 368 CB ASN A 25 -0.819 15.109 1.729 1.00 0.00 C ATOM 369 CG ASN A 25 -1.108 15.693 3.096 1.00 0.00 C ATOM 370 OD1 ASN A 25 -1.101 14.977 4.100 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.310 16.977 3.163 1.00 0.00 N ATOM 0 H ASN A 25 -0.717 13.894 -0.395 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.618 13.933 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.087 14.308 1.828 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.369 15.876 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.469 17.422 4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.309 17.539 2.311 1.00 0.00 H new ATOM 378 N GLU A 26 -2.401 16.493 -0.312 1.00 0.00 N ATOM 379 CA GLU A 26 -3.122 17.647 -0.843 1.00 0.00 C ATOM 380 C GLU A 26 -4.423 17.273 -1.545 1.00 0.00 C ATOM 381 O GLU A 26 -5.433 17.967 -1.391 1.00 0.00 O ATOM 382 CB GLU A 26 -2.255 18.568 -1.715 1.00 0.00 C ATOM 383 CG GLU A 26 -1.333 19.527 -0.948 1.00 0.00 C ATOM 384 CD GLU A 26 -0.284 18.869 -0.099 1.00 0.00 C ATOM 385 OE1 GLU A 26 -0.576 18.514 1.065 1.00 0.00 O ATOM 386 OE2 GLU A 26 0.866 18.741 -0.567 1.00 0.00 O ATOM 0 H GLU A 26 -1.482 16.342 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.394 18.226 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.642 17.949 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.911 19.157 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.838 20.180 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.947 20.162 -0.310 1.00 0.00 H new ATOM 393 N SER A 27 -4.428 16.180 -2.283 1.00 0.00 N ATOM 394 CA SER A 27 -5.633 15.760 -2.955 1.00 0.00 C ATOM 395 C SER A 27 -6.592 15.026 -1.991 1.00 0.00 C ATOM 396 O SER A 27 -7.759 14.798 -2.329 1.00 0.00 O ATOM 397 CB SER A 27 -5.290 14.860 -4.130 1.00 0.00 C ATOM 398 OG SER A 27 -4.466 15.525 -5.080 1.00 0.00 O ATOM 0 H SER A 27 -3.619 15.576 -2.429 1.00 0.00 H new ATOM 0 HA SER A 27 -6.140 16.653 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.780 13.967 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.208 14.528 -4.614 1.00 0.00 H new ATOM 0 HG SER A 27 -5.029 15.972 -5.746 1.00 0.00 H new ATOM 404 N LYS A 28 -6.091 14.693 -0.779 1.00 0.00 N ATOM 405 CA LYS A 28 -6.856 13.950 0.244 1.00 0.00 C ATOM 406 C LYS A 28 -7.311 12.598 -0.281 1.00 0.00 C ATOM 407 O LYS A 28 -8.347 12.064 0.120 1.00 0.00 O ATOM 408 CB LYS A 28 -8.031 14.755 0.758 1.00 0.00 C ATOM 409 CG LYS A 28 -7.645 16.006 1.523 1.00 0.00 C ATOM 410 CD LYS A 28 -8.876 16.707 2.051 1.00 0.00 C ATOM 411 CE LYS A 28 -8.521 17.946 2.850 1.00 0.00 C ATOM 412 NZ LYS A 28 -9.726 18.621 3.369 1.00 0.00 N ATOM 0 H LYS A 28 -5.144 14.933 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.185 13.775 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.659 15.039 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.636 14.120 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.986 15.744 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.087 16.679 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.521 16.985 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.444 16.020 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.871 17.670 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.959 18.636 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.446 19.464 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.334 18.906 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.249 17.970 3.989 1.00 0.00 H new ATOM 426 N THR A 29 -6.505 12.032 -1.126 1.00 0.00 N ATOM 427 CA THR A 29 -6.788 10.770 -1.728 1.00 0.00 C ATOM 428 C THR A 29 -6.509 9.663 -0.721 1.00 0.00 C ATOM 429 O THR A 29 -5.599 9.773 0.123 1.00 0.00 O ATOM 430 CB THR A 29 -5.900 10.562 -2.949 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.932 11.747 -3.758 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.381 9.393 -3.799 1.00 0.00 C ATOM 0 H THR A 29 -5.619 12.442 -1.420 1.00 0.00 H new ATOM 0 HA THR A 29 -7.834 10.747 -2.034 1.00 0.00 H new ATOM 0 HB THR A 29 -4.891 10.348 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.361 11.621 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.724 9.275 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.367 8.480 -3.204 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.397 9.586 -4.142 1.00 0.00 H new ATOM 440 N LEU A 30 -7.294 8.647 -0.777 1.00 0.00 N ATOM 441 CA LEU A 30 -7.125 7.520 0.076 1.00 0.00 C ATOM 442 C LEU A 30 -5.965 6.712 -0.519 1.00 0.00 C ATOM 443 O LEU A 30 -5.920 6.477 -1.736 1.00 0.00 O ATOM 444 CB LEU A 30 -8.465 6.712 0.154 1.00 0.00 C ATOM 445 CG LEU A 30 -8.565 5.471 1.089 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.009 5.027 1.187 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.737 4.298 0.578 1.00 0.00 C ATOM 0 H LEU A 30 -8.081 8.571 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.886 7.795 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.248 7.409 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.703 6.379 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.178 5.768 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.079 4.158 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.612 5.838 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.377 4.765 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.838 3.456 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.091 4.006 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.689 4.592 0.516 1.00 0.00 H new ATOM 459 N VAL A 31 -5.036 6.336 0.301 1.00 0.00 N ATOM 460 CA VAL A 31 -3.858 5.672 -0.163 1.00 0.00 C ATOM 461 C VAL A 31 -3.627 4.357 0.592 1.00 0.00 C ATOM 462 O VAL A 31 -3.910 4.256 1.788 1.00 0.00 O ATOM 463 CB VAL A 31 -2.629 6.635 -0.058 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.432 7.144 1.356 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.362 5.997 -0.576 1.00 0.00 C ATOM 0 H VAL A 31 -5.072 6.480 1.310 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.991 5.408 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.853 7.491 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.569 7.809 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.321 7.688 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.264 6.301 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.536 6.702 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.142 5.101 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.493 5.727 -1.624 1.00 0.00 H new ATOM 475 N VAL A 32 -3.161 3.356 -0.114 1.00 0.00 N ATOM 476 CA VAL A 32 -2.838 2.078 0.481 1.00 0.00 C ATOM 477 C VAL A 32 -1.394 1.753 0.156 1.00 0.00 C ATOM 478 O VAL A 32 -0.981 1.835 -1.009 1.00 0.00 O ATOM 479 CB VAL A 32 -3.749 0.948 -0.039 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.391 -0.388 0.603 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.219 1.276 0.188 1.00 0.00 C ATOM 0 H VAL A 32 -2.994 3.402 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.993 2.149 1.558 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.584 0.863 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.050 -1.165 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.357 -0.639 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.510 -0.316 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.836 0.461 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.402 1.407 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.472 2.196 -0.339 1.00 0.00 H new ATOM 491 N VAL A 33 -0.619 1.415 1.156 1.00 0.00 N ATOM 492 CA VAL A 33 0.786 1.162 0.945 1.00 0.00 C ATOM 493 C VAL A 33 1.183 -0.218 1.469 1.00 0.00 C ATOM 494 O VAL A 33 0.834 -0.591 2.593 1.00 0.00 O ATOM 495 CB VAL A 33 1.678 2.240 1.635 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.145 2.047 1.272 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.214 3.653 1.299 1.00 0.00 C ATOM 0 H VAL A 33 -0.934 1.309 2.120 1.00 0.00 H new ATOM 0 HA VAL A 33 0.950 1.204 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 33 1.574 2.110 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.746 2.811 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.474 1.060 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.267 2.131 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.859 4.376 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.263 3.805 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.187 3.789 1.638 1.00 0.00 H new ATOM 507 N ASP A 34 1.885 -0.957 0.644 1.00 0.00 N ATOM 508 CA ASP A 34 2.448 -2.259 1.011 1.00 0.00 C ATOM 509 C ASP A 34 3.895 -2.094 1.418 1.00 0.00 C ATOM 510 O ASP A 34 4.718 -1.622 0.617 1.00 0.00 O ATOM 511 CB ASP A 34 2.353 -3.245 -0.176 1.00 0.00 C ATOM 512 CG ASP A 34 3.184 -4.526 0.010 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.882 -5.323 0.910 1.00 0.00 O ATOM 514 OD2 ASP A 34 4.169 -4.727 -0.763 1.00 0.00 O ATOM 0 H ASP A 34 2.091 -0.679 -0.315 1.00 0.00 H new ATOM 0 HA ASP A 34 1.877 -2.661 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.309 -3.519 -0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.682 -2.739 -1.083 1.00 0.00 H new ATOM 519 N PHE A 35 4.215 -2.418 2.653 1.00 0.00 N ATOM 520 CA PHE A 35 5.565 -2.362 3.075 1.00 0.00 C ATOM 521 C PHE A 35 6.076 -3.780 3.283 1.00 0.00 C ATOM 522 O PHE A 35 5.617 -4.499 4.192 1.00 0.00 O ATOM 523 CB PHE A 35 5.658 -1.642 4.417 1.00 0.00 C ATOM 524 CG PHE A 35 5.213 -0.201 4.465 1.00 0.00 C ATOM 525 CD1 PHE A 35 3.892 0.126 4.732 1.00 0.00 C ATOM 526 CD2 PHE A 35 6.126 0.823 4.284 1.00 0.00 C ATOM 527 CE1 PHE A 35 3.493 1.446 4.813 1.00 0.00 C ATOM 528 CE2 PHE A 35 5.733 2.144 4.358 1.00 0.00 C ATOM 529 CZ PHE A 35 4.416 2.458 4.623 1.00 0.00 C ATOM 0 H PHE A 35 3.550 -2.719 3.366 1.00 0.00 H new ATOM 0 HA PHE A 35 6.150 -1.837 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.066 -2.202 5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.695 -1.686 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.167 -0.661 4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.160 0.585 4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.462 1.687 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.456 2.932 4.208 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.107 3.491 4.682 1.00 0.00 H new ATOM 539 N THR A 36 6.992 -4.182 2.456 1.00 0.00 N ATOM 540 CA THR A 36 7.662 -5.434 2.596 1.00 0.00 C ATOM 541 C THR A 36 8.946 -5.385 1.776 1.00 0.00 C ATOM 542 O THR A 36 9.200 -4.397 1.104 1.00 0.00 O ATOM 543 CB THR A 36 6.773 -6.624 2.179 1.00 0.00 C ATOM 544 OG1 THR A 36 7.405 -7.853 2.568 1.00 0.00 O ATOM 545 CG2 THR A 36 6.541 -6.645 0.682 1.00 0.00 C ATOM 0 H THR A 36 7.299 -3.637 1.650 1.00 0.00 H new ATOM 0 HA THR A 36 7.898 -5.594 3.648 1.00 0.00 H new ATOM 0 HB THR A 36 5.810 -6.514 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.734 -8.565 2.616 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.911 -7.496 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.047 -5.722 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.498 -6.732 0.167 1.00 0.00 H new ATOM 553 N ALA A 37 9.721 -6.427 1.808 1.00 0.00 N ATOM 554 CA ALA A 37 10.902 -6.510 0.990 1.00 0.00 C ATOM 555 C ALA A 37 10.662 -7.550 -0.084 1.00 0.00 C ATOM 556 O ALA A 37 10.064 -8.597 0.185 1.00 0.00 O ATOM 557 CB ALA A 37 12.123 -6.857 1.814 1.00 0.00 C ATOM 0 H ALA A 37 9.557 -7.243 2.398 1.00 0.00 H new ATOM 0 HA ALA A 37 11.097 -5.539 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.997 -6.912 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.281 -6.089 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.972 -7.821 2.300 1.00 0.00 H new ATOM 563 N SER A 38 11.116 -7.263 -1.277 1.00 0.00 N ATOM 564 CA SER A 38 10.911 -8.114 -2.452 1.00 0.00 C ATOM 565 C SER A 38 11.439 -9.559 -2.270 1.00 0.00 C ATOM 566 O SER A 38 10.969 -10.481 -2.933 1.00 0.00 O ATOM 567 CB SER A 38 11.543 -7.453 -3.671 1.00 0.00 C ATOM 568 OG SER A 38 11.031 -6.124 -3.847 1.00 0.00 O ATOM 0 H SER A 38 11.651 -6.418 -1.477 1.00 0.00 H new ATOM 0 HA SER A 38 9.835 -8.212 -2.596 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.626 -7.419 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.339 -8.048 -4.561 1.00 0.00 H new ATOM 0 HG SER A 38 11.486 -5.514 -3.230 1.00 0.00 H new ATOM 574 N TRP A 39 12.387 -9.747 -1.359 1.00 0.00 N ATOM 575 CA TRP A 39 12.946 -11.067 -1.098 1.00 0.00 C ATOM 576 C TRP A 39 12.074 -11.927 -0.160 1.00 0.00 C ATOM 577 O TRP A 39 12.464 -13.034 0.235 1.00 0.00 O ATOM 578 CB TRP A 39 14.415 -10.986 -0.618 1.00 0.00 C ATOM 579 CG TRP A 39 14.709 -10.022 0.511 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.375 -8.852 0.395 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.364 -10.146 1.905 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.482 -8.237 1.611 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.869 -9.005 2.555 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.688 -11.096 2.659 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.718 -8.796 3.921 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.538 -10.890 4.014 1.00 0.00 C ATOM 587 CH2 TRP A 39 14.049 -9.748 4.631 1.00 0.00 C ATOM 0 H TRP A 39 12.785 -9.001 -0.789 1.00 0.00 H new ATOM 0 HA TRP A 39 12.946 -11.587 -2.056 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.726 -11.982 -0.304 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.037 -10.712 -1.470 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.768 -8.457 -0.530 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.947 -7.346 1.784 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.286 -11.983 2.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 15.115 -7.914 4.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.016 -11.625 4.608 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.912 -9.615 5.694 1.00 0.00 H new ATOM 598 N CYS A 40 10.901 -11.440 0.161 1.00 0.00 N ATOM 599 CA CYS A 40 9.987 -12.166 1.020 1.00 0.00 C ATOM 600 C CYS A 40 9.061 -13.049 0.190 1.00 0.00 C ATOM 601 O CYS A 40 8.328 -12.557 -0.673 1.00 0.00 O ATOM 602 CB CYS A 40 9.168 -11.177 1.852 1.00 0.00 C ATOM 603 SG CYS A 40 7.861 -11.930 2.882 1.00 0.00 S ATOM 0 H CYS A 40 10.551 -10.537 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 40 10.563 -12.806 1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.846 -10.622 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.708 -10.454 1.179 1.00 0.00 H new ATOM 608 N GLY A 41 9.081 -14.349 0.480 1.00 0.00 N ATOM 609 CA GLY A 41 8.271 -15.323 -0.250 1.00 0.00 C ATOM 610 C GLY A 41 6.761 -15.106 -0.127 1.00 0.00 C ATOM 611 O GLY A 41 6.098 -14.859 -1.135 1.00 0.00 O ATOM 0 H GLY A 41 9.654 -14.754 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.546 -15.289 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.513 -16.323 0.111 1.00 0.00 H new ATOM 615 N PRO A 42 6.173 -15.187 1.103 1.00 0.00 N ATOM 616 CA PRO A 42 4.716 -14.994 1.307 1.00 0.00 C ATOM 617 C PRO A 42 4.251 -13.634 0.802 1.00 0.00 C ATOM 618 O PRO A 42 3.139 -13.480 0.311 1.00 0.00 O ATOM 619 CB PRO A 42 4.557 -15.058 2.830 1.00 0.00 C ATOM 620 CG PRO A 42 5.726 -15.840 3.300 1.00 0.00 C ATOM 621 CD PRO A 42 6.858 -15.497 2.374 1.00 0.00 C ATOM 0 HA PRO A 42 4.127 -15.735 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.546 -14.060 3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.620 -15.540 3.110 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.975 -15.587 4.330 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.514 -16.909 3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.433 -14.646 2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.554 -16.329 2.264 1.00 0.00 H new ATOM 629 N CYS A 43 5.125 -12.673 0.904 1.00 0.00 N ATOM 630 CA CYS A 43 4.858 -11.319 0.478 1.00 0.00 C ATOM 631 C CYS A 43 4.768 -11.258 -1.050 1.00 0.00 C ATOM 632 O CYS A 43 3.935 -10.567 -1.612 1.00 0.00 O ATOM 633 CB CYS A 43 5.982 -10.441 0.966 1.00 0.00 C ATOM 634 SG CYS A 43 6.317 -10.611 2.763 1.00 0.00 S ATOM 0 H CYS A 43 6.059 -12.806 1.291 1.00 0.00 H new ATOM 0 HA CYS A 43 3.909 -10.976 0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.888 -10.683 0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.742 -9.401 0.746 1.00 0.00 H new ATOM 639 N ARG A 44 5.615 -12.014 -1.708 1.00 0.00 N ATOM 640 CA ARG A 44 5.618 -12.091 -3.159 1.00 0.00 C ATOM 641 C ARG A 44 4.387 -12.872 -3.634 1.00 0.00 C ATOM 642 O ARG A 44 3.873 -12.654 -4.724 1.00 0.00 O ATOM 643 CB ARG A 44 6.917 -12.739 -3.639 1.00 0.00 C ATOM 644 CG ARG A 44 7.074 -12.829 -5.144 1.00 0.00 C ATOM 645 CD ARG A 44 8.421 -13.410 -5.490 1.00 0.00 C ATOM 646 NE ARG A 44 8.635 -13.516 -6.927 1.00 0.00 N ATOM 647 CZ ARG A 44 9.728 -14.039 -7.489 1.00 0.00 C ATOM 648 NH1 ARG A 44 10.715 -14.527 -6.722 1.00 0.00 N ATOM 649 NH2 ARG A 44 9.834 -14.080 -8.815 1.00 0.00 N ATOM 0 H ARG A 44 6.323 -12.594 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 44 5.567 -11.089 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.757 -12.174 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.979 -13.744 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.283 -13.450 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.971 -11.839 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.203 -12.788 -5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.513 -14.398 -5.039 1.00 0.00 H new ATOM 0 HE ARG A 44 7.902 -13.168 -7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.632 -14.499 -5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.548 -14.926 -7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.082 -13.713 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.667 -14.479 -9.248 1.00 0.00 H new ATOM 663 N PHE A 45 3.932 -13.778 -2.797 1.00 0.00 N ATOM 664 CA PHE A 45 2.745 -14.565 -3.069 1.00 0.00 C ATOM 665 C PHE A 45 1.476 -13.693 -2.999 1.00 0.00 C ATOM 666 O PHE A 45 0.544 -13.880 -3.780 1.00 0.00 O ATOM 667 CB PHE A 45 2.657 -15.739 -2.073 1.00 0.00 C ATOM 668 CG PHE A 45 1.477 -16.654 -2.282 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.526 -17.661 -3.230 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.319 -16.504 -1.528 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.448 -18.502 -3.426 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.760 -17.342 -1.720 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.696 -18.342 -2.671 1.00 0.00 C ATOM 0 H PHE A 45 4.376 -13.992 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 45 2.816 -14.965 -4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.572 -16.327 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.613 -15.337 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.418 -17.791 -3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.263 -15.723 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.500 -19.284 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.654 -17.216 -1.127 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.540 -18.998 -2.823 1.00 0.00 H new ATOM 683 N ILE A 46 1.458 -12.738 -2.086 1.00 0.00 N ATOM 684 CA ILE A 46 0.284 -11.883 -1.902 1.00 0.00 C ATOM 685 C ILE A 46 0.344 -10.645 -2.843 1.00 0.00 C ATOM 686 O ILE A 46 -0.689 -10.050 -3.188 1.00 0.00 O ATOM 687 CB ILE A 46 0.153 -11.434 -0.398 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.169 -10.727 -0.119 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.307 -10.566 0.034 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.356 -11.634 -0.240 1.00 0.00 C ATOM 0 H ILE A 46 2.236 -12.530 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.601 -12.463 -2.164 1.00 0.00 H new ATOM 0 HB ILE A 46 0.175 -12.351 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.143 -10.304 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.283 -9.894 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.176 -10.279 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.240 -11.119 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.341 -9.671 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.266 -11.072 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.404 -12.037 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.262 -12.453 0.473 1.00 0.00 H new ATOM 702 N ALA A 47 1.563 -10.309 -3.276 1.00 0.00 N ATOM 703 CA ALA A 47 1.844 -9.145 -4.140 1.00 0.00 C ATOM 704 C ALA A 47 0.933 -9.033 -5.398 1.00 0.00 C ATOM 705 O ALA A 47 0.378 -7.957 -5.642 1.00 0.00 O ATOM 706 CB ALA A 47 3.316 -9.104 -4.531 1.00 0.00 C ATOM 0 H ALA A 47 2.399 -10.842 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 47 1.602 -8.272 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.499 -8.238 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.929 -9.031 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.574 -10.014 -5.073 1.00 0.00 H new ATOM 712 N PRO A 48 0.758 -10.119 -6.224 1.00 0.00 N ATOM 713 CA PRO A 48 -0.091 -10.061 -7.425 1.00 0.00 C ATOM 714 C PRO A 48 -1.515 -9.598 -7.122 1.00 0.00 C ATOM 715 O PRO A 48 -2.100 -8.820 -7.883 1.00 0.00 O ATOM 716 CB PRO A 48 -0.105 -11.507 -7.943 1.00 0.00 C ATOM 717 CG PRO A 48 0.404 -12.326 -6.812 1.00 0.00 C ATOM 718 CD PRO A 48 1.371 -11.451 -6.090 1.00 0.00 C ATOM 0 HA PRO A 48 0.297 -9.340 -8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.111 -11.813 -8.231 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.526 -11.616 -8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.409 -12.637 -6.156 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.889 -13.234 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.481 -11.744 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.364 -11.488 -6.538 1.00 0.00 H new ATOM 726 N PHE A 49 -2.057 -10.035 -5.994 1.00 0.00 N ATOM 727 CA PHE A 49 -3.409 -9.675 -5.649 1.00 0.00 C ATOM 728 C PHE A 49 -3.483 -8.202 -5.255 1.00 0.00 C ATOM 729 O PHE A 49 -4.484 -7.539 -5.502 1.00 0.00 O ATOM 730 CB PHE A 49 -3.982 -10.577 -4.547 1.00 0.00 C ATOM 731 CG PHE A 49 -5.435 -10.301 -4.267 1.00 0.00 C ATOM 732 CD1 PHE A 49 -6.422 -10.908 -5.027 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.812 -9.424 -3.265 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.753 -10.647 -4.791 1.00 0.00 C ATOM 735 CE2 PHE A 49 -7.138 -9.162 -3.024 1.00 0.00 C ATOM 736 CZ PHE A 49 -8.111 -9.773 -3.788 1.00 0.00 C ATOM 0 H PHE A 49 -1.582 -10.631 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.029 -9.828 -6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.864 -11.620 -4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.407 -10.436 -3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.144 -11.594 -5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.055 -8.940 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.514 -11.126 -5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.419 -8.478 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.154 -9.566 -3.600 1.00 0.00 H new ATOM 746 N PHE A 50 -2.411 -7.689 -4.668 1.00 0.00 N ATOM 747 CA PHE A 50 -2.348 -6.280 -4.293 1.00 0.00 C ATOM 748 C PHE A 50 -2.408 -5.420 -5.562 1.00 0.00 C ATOM 749 O PHE A 50 -3.056 -4.371 -5.596 1.00 0.00 O ATOM 750 CB PHE A 50 -1.064 -5.996 -3.486 1.00 0.00 C ATOM 751 CG PHE A 50 -0.924 -4.572 -2.996 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.551 -4.165 -1.830 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.157 -3.648 -3.695 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.418 -2.869 -1.371 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.023 -2.349 -3.239 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.654 -1.961 -2.076 1.00 0.00 C ATOM 0 H PHE A 50 -1.573 -8.225 -4.441 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.197 -6.030 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.037 -6.665 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.201 -6.238 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.151 -4.869 -1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.341 -3.948 -4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.912 -2.566 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.575 -1.640 -3.793 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.551 -0.948 -1.717 1.00 0.00 H new ATOM 766 N ALA A 51 -1.761 -5.901 -6.611 1.00 0.00 N ATOM 767 CA ALA A 51 -1.758 -5.222 -7.896 1.00 0.00 C ATOM 768 C ALA A 51 -3.135 -5.330 -8.567 1.00 0.00 C ATOM 769 O ALA A 51 -3.558 -4.432 -9.307 1.00 0.00 O ATOM 770 CB ALA A 51 -0.670 -5.795 -8.793 1.00 0.00 C ATOM 0 H ALA A 51 -1.226 -6.769 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.545 -4.166 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.679 -5.277 -9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.302 -5.661 -8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.852 -6.858 -8.953 1.00 0.00 H new ATOM 776 N ASP A 52 -3.830 -6.425 -8.291 1.00 0.00 N ATOM 777 CA ASP A 52 -5.182 -6.665 -8.824 1.00 0.00 C ATOM 778 C ASP A 52 -6.154 -5.733 -8.167 1.00 0.00 C ATOM 779 O ASP A 52 -7.015 -5.140 -8.815 1.00 0.00 O ATOM 780 CB ASP A 52 -5.612 -8.092 -8.541 1.00 0.00 C ATOM 781 CG ASP A 52 -6.948 -8.445 -9.176 1.00 0.00 C ATOM 782 OD1 ASP A 52 -6.992 -8.670 -10.414 1.00 0.00 O ATOM 783 OD2 ASP A 52 -7.971 -8.519 -8.452 1.00 0.00 O ATOM 0 H ASP A 52 -3.482 -7.175 -7.694 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.166 -6.495 -9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.848 -8.776 -8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.678 -8.239 -7.463 1.00 0.00 H new ATOM 788 N LEU A 53 -5.994 -5.611 -6.877 1.00 0.00 N ATOM 789 CA LEU A 53 -6.750 -4.751 -6.046 1.00 0.00 C ATOM 790 C LEU A 53 -6.605 -3.306 -6.524 1.00 0.00 C ATOM 791 O LEU A 53 -7.583 -2.555 -6.597 1.00 0.00 O ATOM 792 CB LEU A 53 -6.207 -4.921 -4.642 1.00 0.00 C ATOM 793 CG LEU A 53 -6.726 -3.976 -3.619 1.00 0.00 C ATOM 794 CD1 LEU A 53 -8.229 -4.134 -3.413 1.00 0.00 C ATOM 795 CD2 LEU A 53 -5.955 -4.076 -2.314 1.00 0.00 C ATOM 0 H LEU A 53 -5.292 -6.143 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.812 -4.993 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.424 -5.937 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.122 -4.823 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.565 -2.968 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.569 -3.426 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.747 -3.940 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.446 -5.150 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.366 -3.369 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.040 -5.088 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.905 -3.843 -2.493 1.00 0.00 H new ATOM 807 N ALA A 54 -5.382 -2.952 -6.869 1.00 0.00 N ATOM 808 CA ALA A 54 -5.061 -1.641 -7.416 1.00 0.00 C ATOM 809 C ALA A 54 -5.857 -1.354 -8.692 1.00 0.00 C ATOM 810 O ALA A 54 -6.190 -0.207 -8.989 1.00 0.00 O ATOM 811 CB ALA A 54 -3.568 -1.537 -7.685 1.00 0.00 C ATOM 0 H ALA A 54 -4.575 -3.569 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.342 -0.891 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.340 -0.553 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.020 -1.679 -6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.273 -2.304 -8.401 1.00 0.00 H new ATOM 817 N LYS A 55 -6.145 -2.399 -9.450 1.00 0.00 N ATOM 818 CA LYS A 55 -6.890 -2.268 -10.694 1.00 0.00 C ATOM 819 C LYS A 55 -8.383 -2.086 -10.420 1.00 0.00 C ATOM 820 O LYS A 55 -9.095 -1.429 -11.188 1.00 0.00 O ATOM 821 CB LYS A 55 -6.628 -3.494 -11.590 1.00 0.00 C ATOM 822 CG LYS A 55 -7.364 -3.493 -12.936 1.00 0.00 C ATOM 823 CD LYS A 55 -7.045 -4.735 -13.809 1.00 0.00 C ATOM 824 CE LYS A 55 -7.621 -6.080 -13.274 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.099 -6.480 -11.944 1.00 0.00 N ATOM 0 H LYS A 55 -5.872 -3.356 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.547 -1.377 -11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.557 -3.562 -11.781 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.911 -4.392 -11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.438 -3.450 -12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.098 -2.591 -13.488 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.433 -4.564 -14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.963 -4.830 -13.898 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.707 -6.000 -13.217 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.397 -6.869 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.121 -7.516 -11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.120 -6.145 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.690 -6.060 -11.198 1.00 0.00 H new ATOM 839 N LYS A 56 -8.848 -2.647 -9.320 1.00 0.00 N ATOM 840 CA LYS A 56 -10.251 -2.568 -8.962 1.00 0.00 C ATOM 841 C LYS A 56 -10.611 -1.194 -8.396 1.00 0.00 C ATOM 842 O LYS A 56 -11.714 -0.692 -8.627 1.00 0.00 O ATOM 843 CB LYS A 56 -10.641 -3.700 -7.995 1.00 0.00 C ATOM 844 CG LYS A 56 -12.113 -3.685 -7.574 1.00 0.00 C ATOM 845 CD LYS A 56 -12.466 -4.869 -6.686 1.00 0.00 C ATOM 846 CE LYS A 56 -12.364 -6.192 -7.442 1.00 0.00 C ATOM 847 NZ LYS A 56 -12.712 -7.347 -6.591 1.00 0.00 N ATOM 0 H LYS A 56 -8.272 -3.165 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.832 -2.700 -9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.419 -4.658 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.019 -3.631 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.329 -2.758 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.744 -3.698 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.798 -4.890 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.479 -4.747 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.027 -6.167 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.350 -6.315 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.629 -8.224 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.064 -7.388 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.689 -7.244 -6.249 1.00 0.00 H new ATOM 861 N LEU A 57 -9.693 -0.594 -7.660 1.00 0.00 N ATOM 862 CA LEU A 57 -9.899 0.722 -7.108 1.00 0.00 C ATOM 863 C LEU A 57 -9.131 1.774 -7.921 1.00 0.00 C ATOM 864 O LEU A 57 -7.937 1.970 -7.723 1.00 0.00 O ATOM 865 CB LEU A 57 -9.514 0.784 -5.614 1.00 0.00 C ATOM 866 CG LEU A 57 -10.422 0.031 -4.601 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.402 -1.476 -4.800 1.00 0.00 C ATOM 868 CD2 LEU A 57 -10.050 0.384 -3.171 1.00 0.00 C ATOM 0 H LEU A 57 -8.789 -1.008 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.964 0.946 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.502 0.393 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.481 1.833 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.442 0.364 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.054 -1.949 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.753 -1.715 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.385 -1.846 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.700 -0.156 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.013 0.105 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.170 1.457 -3.018 1.00 0.00 H new ATOM 880 N PRO A 58 -9.817 2.455 -8.863 1.00 0.00 N ATOM 881 CA PRO A 58 -9.190 3.440 -9.771 1.00 0.00 C ATOM 882 C PRO A 58 -8.815 4.747 -9.075 1.00 0.00 C ATOM 883 O PRO A 58 -7.817 5.400 -9.423 1.00 0.00 O ATOM 884 CB PRO A 58 -10.305 3.733 -10.799 1.00 0.00 C ATOM 885 CG PRO A 58 -11.349 2.693 -10.577 1.00 0.00 C ATOM 886 CD PRO A 58 -11.253 2.312 -9.138 1.00 0.00 C ATOM 0 HA PRO A 58 -8.262 3.049 -10.188 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.714 4.733 -10.657 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.919 3.688 -11.817 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.341 3.079 -10.813 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.182 1.829 -11.221 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.854 2.965 -8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.599 1.293 -8.965 1.00 0.00 H new ATOM 894 N ASN A 59 -9.610 5.110 -8.094 1.00 0.00 N ATOM 895 CA ASN A 59 -9.475 6.367 -7.403 1.00 0.00 C ATOM 896 C ASN A 59 -8.544 6.256 -6.204 1.00 0.00 C ATOM 897 O ASN A 59 -8.333 7.229 -5.486 1.00 0.00 O ATOM 898 CB ASN A 59 -10.862 6.831 -6.954 1.00 0.00 C ATOM 899 CG ASN A 59 -11.500 5.897 -5.938 1.00 0.00 C ATOM 900 OD1 ASN A 59 -12.150 4.909 -6.302 1.00 0.00 O ATOM 901 ND2 ASN A 59 -11.359 6.208 -4.678 1.00 0.00 N ATOM 0 H ASN A 59 -10.377 4.532 -7.751 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.035 7.095 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.783 7.829 -6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.512 6.910 -7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.792 5.629 -3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.816 7.030 -4.413 1.00 0.00 H new ATOM 908 N VAL A 60 -8.002 5.084 -5.978 1.00 0.00 N ATOM 909 CA VAL A 60 -7.087 4.882 -4.881 1.00 0.00 C ATOM 910 C VAL A 60 -5.699 4.687 -5.436 1.00 0.00 C ATOM 911 O VAL A 60 -5.502 3.920 -6.385 1.00 0.00 O ATOM 912 CB VAL A 60 -7.497 3.676 -3.984 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.486 3.450 -2.864 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.878 3.914 -3.390 1.00 0.00 C ATOM 0 H VAL A 60 -8.180 4.253 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.114 5.765 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.518 2.784 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.800 2.602 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.506 3.244 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.428 4.342 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.156 3.066 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.863 4.821 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.606 4.026 -4.194 1.00 0.00 H new ATOM 924 N LEU A 61 -4.754 5.389 -4.883 1.00 0.00 N ATOM 925 CA LEU A 61 -3.406 5.326 -5.358 1.00 0.00 C ATOM 926 C LEU A 61 -2.649 4.393 -4.417 1.00 0.00 C ATOM 927 O LEU A 61 -2.646 4.598 -3.200 1.00 0.00 O ATOM 928 CB LEU A 61 -2.804 6.754 -5.343 1.00 0.00 C ATOM 929 CG LEU A 61 -1.621 7.066 -6.304 1.00 0.00 C ATOM 930 CD1 LEU A 61 -1.171 8.510 -6.145 1.00 0.00 C ATOM 931 CD2 LEU A 61 -0.445 6.125 -6.119 1.00 0.00 C ATOM 0 H LEU A 61 -4.896 6.019 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.344 4.949 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.608 7.456 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.471 6.964 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.993 6.911 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.343 8.710 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.001 9.177 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.846 8.679 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.348 6.393 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.072 6.205 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.765 5.101 -6.309 1.00 0.00 H new ATOM 943 N PHE A 62 -2.055 3.364 -4.960 1.00 0.00 N ATOM 944 CA PHE A 62 -1.344 2.403 -4.156 1.00 0.00 C ATOM 945 C PHE A 62 0.141 2.599 -4.294 1.00 0.00 C ATOM 946 O PHE A 62 0.649 2.913 -5.377 1.00 0.00 O ATOM 947 CB PHE A 62 -1.704 0.972 -4.552 1.00 0.00 C ATOM 948 CG PHE A 62 -3.167 0.610 -4.388 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.126 1.074 -5.277 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.575 -0.195 -3.341 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.459 0.743 -5.119 1.00 0.00 C ATOM 952 CE2 PHE A 62 -4.906 -0.531 -3.180 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.848 -0.062 -4.070 1.00 0.00 C ATOM 0 H PHE A 62 -2.049 3.168 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.638 2.562 -3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.422 0.817 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.106 0.284 -3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.827 1.702 -6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.843 -0.567 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.195 1.115 -5.817 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.208 -1.161 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.888 -0.325 -3.946 1.00 0.00 H new ATOM 963 N LEU A 63 0.827 2.428 -3.220 1.00 0.00 N ATOM 964 CA LEU A 63 2.255 2.534 -3.188 1.00 0.00 C ATOM 965 C LEU A 63 2.828 1.304 -2.571 1.00 0.00 C ATOM 966 O LEU A 63 2.149 0.590 -1.825 1.00 0.00 O ATOM 967 CB LEU A 63 2.774 3.763 -2.402 1.00 0.00 C ATOM 968 CG LEU A 63 2.556 5.175 -2.980 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.105 5.585 -2.960 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.407 6.184 -2.235 1.00 0.00 C ATOM 0 H LEU A 63 0.409 2.206 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 63 2.574 2.655 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.313 3.739 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.846 3.630 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 63 2.864 5.150 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.004 6.587 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.520 4.883 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.740 5.581 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.244 7.177 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.131 6.184 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.459 5.917 -2.335 1.00 0.00 H new ATOM 982 N LYS A 64 4.051 1.047 -2.867 1.00 0.00 N ATOM 983 CA LYS A 64 4.728 -0.052 -2.306 1.00 0.00 C ATOM 984 C LYS A 64 6.106 0.399 -1.911 1.00 0.00 C ATOM 985 O LYS A 64 6.856 0.950 -2.728 1.00 0.00 O ATOM 986 CB LYS A 64 4.746 -1.242 -3.297 1.00 0.00 C ATOM 987 CG LYS A 64 5.247 -2.554 -2.702 1.00 0.00 C ATOM 988 CD LYS A 64 6.754 -2.614 -2.530 1.00 0.00 C ATOM 989 CE LYS A 64 7.147 -3.765 -1.630 1.00 0.00 C ATOM 990 NZ LYS A 64 6.501 -5.022 -2.027 1.00 0.00 N ATOM 0 H LYS A 64 4.611 1.603 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 64 4.214 -0.411 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.737 -1.394 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.375 -0.980 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.774 -2.706 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.931 -3.377 -3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.231 -2.728 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.114 -1.676 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.229 -3.891 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.877 -3.528 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.131 -5.820 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.608 -5.133 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.306 -5.005 -3.048 1.00 0.00 H new ATOM 1004 N VAL A 65 6.421 0.200 -0.673 1.00 0.00 N ATOM 1005 CA VAL A 65 7.699 0.557 -0.148 1.00 0.00 C ATOM 1006 C VAL A 65 8.450 -0.693 0.174 1.00 0.00 C ATOM 1007 O VAL A 65 8.006 -1.503 0.996 1.00 0.00 O ATOM 1008 CB VAL A 65 7.578 1.431 1.127 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.951 1.722 1.726 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.868 2.727 0.808 1.00 0.00 C ATOM 0 H VAL A 65 5.791 -0.220 0.011 1.00 0.00 H new ATOM 0 HA VAL A 65 8.227 1.144 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 65 6.995 0.876 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.836 2.337 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.438 0.784 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.561 2.254 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.790 3.331 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.432 3.275 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.869 2.511 0.429 1.00 0.00 H new ATOM 1020 N ASP A 66 9.552 -0.877 -0.485 1.00 0.00 N ATOM 1021 CA ASP A 66 10.370 -2.012 -0.221 1.00 0.00 C ATOM 1022 C ASP A 66 11.217 -1.711 0.995 1.00 0.00 C ATOM 1023 O ASP A 66 11.952 -0.724 1.019 1.00 0.00 O ATOM 1024 CB ASP A 66 11.222 -2.363 -1.416 1.00 0.00 C ATOM 1025 CG ASP A 66 12.041 -3.610 -1.194 1.00 0.00 C ATOM 1026 OD1 ASP A 66 13.049 -3.539 -0.510 1.00 0.00 O ATOM 1027 OD2 ASP A 66 11.670 -4.685 -1.713 1.00 0.00 O ATOM 0 H ASP A 66 9.903 -0.252 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 66 9.743 -2.882 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.581 -2.503 -2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.888 -1.530 -1.641 1.00 0.00 H new ATOM 1032 N THR A 67 11.081 -2.527 2.003 1.00 0.00 N ATOM 1033 CA THR A 67 11.738 -2.322 3.272 1.00 0.00 C ATOM 1034 C THR A 67 13.248 -2.597 3.222 1.00 0.00 C ATOM 1035 O THR A 67 13.982 -2.202 4.130 1.00 0.00 O ATOM 1036 CB THR A 67 11.064 -3.166 4.373 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.059 -4.545 3.984 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.628 -2.709 4.599 1.00 0.00 C ATOM 0 H THR A 67 10.503 -3.367 1.970 1.00 0.00 H new ATOM 0 HA THR A 67 11.627 -1.265 3.513 1.00 0.00 H new ATOM 0 HB THR A 67 11.626 -3.039 5.298 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.632 -5.081 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.171 -3.317 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.623 -1.663 4.905 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.061 -2.819 3.674 1.00 0.00 H new ATOM 1046 N ASP A 68 13.701 -3.286 2.186 1.00 0.00 N ATOM 1047 CA ASP A 68 15.129 -3.567 2.007 1.00 0.00 C ATOM 1048 C ASP A 68 15.763 -2.341 1.415 1.00 0.00 C ATOM 1049 O ASP A 68 16.911 -1.992 1.702 1.00 0.00 O ATOM 1050 CB ASP A 68 15.322 -4.763 1.074 1.00 0.00 C ATOM 1051 CG ASP A 68 16.764 -5.190 0.918 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.259 -5.943 1.785 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.415 -4.811 -0.073 1.00 0.00 O ATOM 0 H ASP A 68 13.104 -3.665 1.451 1.00 0.00 H new ATOM 0 HA ASP A 68 15.590 -3.812 2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.743 -5.605 1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.918 -4.515 0.092 1.00 0.00 H new ATOM 1058 N GLU A 69 14.995 -1.703 0.578 1.00 0.00 N ATOM 1059 CA GLU A 69 15.338 -0.472 -0.027 1.00 0.00 C ATOM 1060 C GLU A 69 15.245 0.687 0.977 1.00 0.00 C ATOM 1061 O GLU A 69 16.258 1.308 1.319 1.00 0.00 O ATOM 1062 CB GLU A 69 14.404 -0.236 -1.192 1.00 0.00 C ATOM 1063 CG GLU A 69 14.573 -1.208 -2.344 1.00 0.00 C ATOM 1064 CD GLU A 69 15.899 -1.063 -3.027 1.00 0.00 C ATOM 1065 OE1 GLU A 69 16.879 -1.710 -2.613 1.00 0.00 O ATOM 1066 OE2 GLU A 69 15.977 -0.278 -3.997 1.00 0.00 O ATOM 0 H GLU A 69 14.079 -2.050 0.295 1.00 0.00 H new ATOM 0 HA GLU A 69 16.370 -0.517 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.376 -0.293 -0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.557 0.777 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.468 -2.228 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.775 -1.049 -3.069 1.00 0.00 H new ATOM 1073 N LEU A 70 14.049 0.971 1.459 1.00 0.00 N ATOM 1074 CA LEU A 70 13.833 2.048 2.352 1.00 0.00 C ATOM 1075 C LEU A 70 13.770 1.567 3.789 1.00 0.00 C ATOM 1076 O LEU A 70 12.693 1.397 4.360 1.00 0.00 O ATOM 1077 CB LEU A 70 12.566 2.834 1.994 1.00 0.00 C ATOM 1078 CG LEU A 70 12.557 3.672 0.695 1.00 0.00 C ATOM 1079 CD1 LEU A 70 12.649 2.808 -0.532 1.00 0.00 C ATOM 1080 CD2 LEU A 70 11.323 4.552 0.623 1.00 0.00 C ATOM 0 H LEU A 70 13.206 0.445 1.228 1.00 0.00 H new ATOM 0 HA LEU A 70 14.685 2.721 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.741 2.124 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.349 3.507 2.823 1.00 0.00 H new ATOM 0 HG LEU A 70 13.442 4.308 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.639 3.437 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.575 2.233 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.799 2.126 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.342 5.131 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.430 3.928 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.310 5.231 1.476 1.00 0.00 H new ATOM 1092 N LYS A 71 14.925 1.301 4.346 1.00 0.00 N ATOM 1093 CA LYS A 71 15.045 0.802 5.706 1.00 0.00 C ATOM 1094 C LYS A 71 14.665 1.860 6.735 1.00 0.00 C ATOM 1095 O LYS A 71 13.981 1.565 7.725 1.00 0.00 O ATOM 1096 CB LYS A 71 16.460 0.293 5.956 1.00 0.00 C ATOM 1097 CG LYS A 71 16.862 -0.843 5.039 1.00 0.00 C ATOM 1098 CD LYS A 71 18.287 -1.276 5.280 1.00 0.00 C ATOM 1099 CE LYS A 71 18.665 -2.418 4.361 1.00 0.00 C ATOM 1100 NZ LYS A 71 20.073 -2.818 4.527 1.00 0.00 N ATOM 0 H LYS A 71 15.819 1.423 3.870 1.00 0.00 H new ATOM 0 HA LYS A 71 14.344 -0.025 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.162 1.117 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.541 -0.039 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.193 -1.690 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.747 -0.531 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.960 -0.434 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.407 -1.584 6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.019 -3.273 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.492 -2.123 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.290 -3.602 3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.691 -2.010 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.234 -3.124 5.508 1.00 0.00 H new ATOM 1114 N SER A 72 15.088 3.092 6.501 1.00 0.00 N ATOM 1115 CA SER A 72 14.820 4.163 7.431 1.00 0.00 C ATOM 1116 C SER A 72 13.342 4.525 7.421 1.00 0.00 C ATOM 1117 O SER A 72 12.748 4.767 8.478 1.00 0.00 O ATOM 1118 CB SER A 72 15.685 5.371 7.118 1.00 0.00 C ATOM 1119 OG SER A 72 17.071 5.020 7.117 1.00 0.00 O ATOM 0 H SER A 72 15.617 3.369 5.674 1.00 0.00 H new ATOM 0 HA SER A 72 15.073 3.822 8.435 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.408 5.779 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.504 6.153 7.855 1.00 0.00 H new ATOM 0 HG SER A 72 17.609 5.813 6.911 1.00 0.00 H new ATOM 1125 N VAL A 73 12.744 4.531 6.240 1.00 0.00 N ATOM 1126 CA VAL A 73 11.327 4.823 6.119 1.00 0.00 C ATOM 1127 C VAL A 73 10.513 3.699 6.757 1.00 0.00 C ATOM 1128 O VAL A 73 9.569 3.952 7.497 1.00 0.00 O ATOM 1129 CB VAL A 73 10.898 5.048 4.640 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.404 5.331 4.526 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.699 6.191 4.028 1.00 0.00 C ATOM 0 H VAL A 73 13.216 4.338 5.357 1.00 0.00 H new ATOM 0 HA VAL A 73 11.130 5.756 6.648 1.00 0.00 H new ATOM 0 HB VAL A 73 11.105 4.130 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.141 5.483 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.842 4.485 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.159 6.228 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.390 6.339 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.520 7.105 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.761 5.948 4.058 1.00 0.00 H new ATOM 1141 N ALA A 74 10.919 2.460 6.506 1.00 0.00 N ATOM 1142 CA ALA A 74 10.253 1.300 7.087 1.00 0.00 C ATOM 1143 C ALA A 74 10.260 1.377 8.608 1.00 0.00 C ATOM 1144 O ALA A 74 9.232 1.177 9.255 1.00 0.00 O ATOM 1145 CB ALA A 74 10.919 0.018 6.629 1.00 0.00 C ATOM 0 H ALA A 74 11.709 2.232 5.902 1.00 0.00 H new ATOM 0 HA ALA A 74 9.218 1.300 6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.408 -0.836 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.866 -0.052 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.963 0.019 6.942 1.00 0.00 H new ATOM 1151 N SER A 75 11.413 1.706 9.167 1.00 0.00 N ATOM 1152 CA SER A 75 11.562 1.797 10.599 1.00 0.00 C ATOM 1153 C SER A 75 10.759 2.983 11.170 1.00 0.00 C ATOM 1154 O SER A 75 10.256 2.916 12.295 1.00 0.00 O ATOM 1155 CB SER A 75 13.054 1.913 10.965 1.00 0.00 C ATOM 1156 OG SER A 75 13.250 1.943 12.373 1.00 0.00 O ATOM 0 H SER A 75 12.262 1.915 8.641 1.00 0.00 H new ATOM 0 HA SER A 75 11.161 0.888 11.047 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.599 1.071 10.540 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.468 2.818 10.521 1.00 0.00 H new ATOM 0 HG SER A 75 14.208 2.015 12.569 1.00 0.00 H new ATOM 1162 N ASP A 76 10.612 4.047 10.377 1.00 0.00 N ATOM 1163 CA ASP A 76 9.894 5.250 10.823 1.00 0.00 C ATOM 1164 C ASP A 76 8.414 4.970 10.970 1.00 0.00 C ATOM 1165 O ASP A 76 7.767 5.446 11.902 1.00 0.00 O ATOM 1166 CB ASP A 76 10.088 6.397 9.829 1.00 0.00 C ATOM 1167 CG ASP A 76 9.448 7.693 10.295 1.00 0.00 C ATOM 1168 OD1 ASP A 76 8.251 7.928 10.023 1.00 0.00 O ATOM 1169 OD2 ASP A 76 10.153 8.502 10.936 1.00 0.00 O ATOM 0 H ASP A 76 10.978 4.103 9.426 1.00 0.00 H new ATOM 0 HA ASP A 76 10.304 5.537 11.791 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.154 6.559 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.664 6.113 8.866 1.00 0.00 H new ATOM 1174 N TRP A 77 7.890 4.162 10.075 1.00 0.00 N ATOM 1175 CA TRP A 77 6.492 3.803 10.098 1.00 0.00 C ATOM 1176 C TRP A 77 6.254 2.561 10.947 1.00 0.00 C ATOM 1177 O TRP A 77 5.150 1.999 10.942 1.00 0.00 O ATOM 1178 CB TRP A 77 5.944 3.624 8.683 1.00 0.00 C ATOM 1179 CG TRP A 77 5.936 4.894 7.868 1.00 0.00 C ATOM 1180 CD1 TRP A 77 6.955 5.388 7.116 1.00 0.00 C ATOM 1181 CD2 TRP A 77 4.852 5.829 7.727 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.583 6.561 6.520 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.299 6.854 6.876 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.555 5.898 8.234 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.496 7.936 6.520 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.759 6.973 7.879 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.232 7.976 7.030 1.00 0.00 C ATOM 0 H TRP A 77 8.420 3.737 9.314 1.00 0.00 H new ATOM 0 HA TRP A 77 5.947 4.626 10.561 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.541 2.874 8.164 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.927 3.236 8.744 1.00 0.00 H new ATOM 0 HD1 TRP A 77 7.922 4.920 7.005 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.171 7.126 5.908 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.179 5.128 8.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.861 8.713 5.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.753 7.038 8.266 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.583 8.800 6.772 1.00 0.00 H new ATOM 1198 N ALA A 78 7.306 2.146 11.679 1.00 0.00 N ATOM 1199 CA ALA A 78 7.274 1.010 12.621 1.00 0.00 C ATOM 1200 C ALA A 78 7.003 -0.317 11.913 1.00 0.00 C ATOM 1201 O ALA A 78 6.446 -1.247 12.503 1.00 0.00 O ATOM 1202 CB ALA A 78 6.244 1.261 13.728 1.00 0.00 C ATOM 0 H ALA A 78 8.219 2.599 11.631 1.00 0.00 H new ATOM 0 HA ALA A 78 8.262 0.932 13.074 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.233 0.414 14.414 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.510 2.166 14.274 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.256 1.382 13.285 1.00 0.00 H new ATOM 1208 N ILE A 79 7.441 -0.420 10.676 1.00 0.00 N ATOM 1209 CA ILE A 79 7.233 -1.627 9.912 1.00 0.00 C ATOM 1210 C ILE A 79 8.291 -2.661 10.277 1.00 0.00 C ATOM 1211 O ILE A 79 9.436 -2.618 9.792 1.00 0.00 O ATOM 1212 CB ILE A 79 7.251 -1.374 8.383 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.230 -0.280 7.996 1.00 0.00 C ATOM 1214 CG2 ILE A 79 6.969 -2.674 7.621 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.793 -0.587 8.376 1.00 0.00 C ATOM 0 H ILE A 79 7.942 0.317 10.181 1.00 0.00 H new ATOM 0 HA ILE A 79 6.241 -2.001 10.166 1.00 0.00 H new ATOM 0 HB ILE A 79 8.245 -1.022 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.524 0.656 8.471 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.280 -0.121 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.985 -2.478 6.549 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.732 -3.413 7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.989 -3.057 7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.150 0.237 8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.474 -1.504 7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.722 -0.715 9.456 1.00 0.00 H new ATOM 1227 N GLN A 80 7.922 -3.549 11.158 1.00 0.00 N ATOM 1228 CA GLN A 80 8.801 -4.595 11.613 1.00 0.00 C ATOM 1229 C GLN A 80 8.400 -5.925 11.004 1.00 0.00 C ATOM 1230 O GLN A 80 9.248 -6.723 10.607 1.00 0.00 O ATOM 1231 CB GLN A 80 8.774 -4.676 13.146 1.00 0.00 C ATOM 1232 CG GLN A 80 9.642 -5.781 13.739 1.00 0.00 C ATOM 1233 CD GLN A 80 9.599 -5.800 15.251 1.00 0.00 C ATOM 1234 OE1 GLN A 80 8.598 -5.424 15.865 1.00 0.00 O ATOM 1235 NE2 GLN A 80 10.664 -6.245 15.864 1.00 0.00 N ATOM 0 H GLN A 80 6.996 -3.569 11.585 1.00 0.00 H new ATOM 0 HA GLN A 80 9.817 -4.364 11.293 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.099 -3.719 13.553 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.744 -4.827 13.471 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.308 -6.746 13.357 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.672 -5.646 13.409 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.474 -6.548 15.324 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.685 -6.289 16.883 1.00 0.00 H new ATOM 1244 N ALA A 81 7.115 -6.150 10.902 1.00 0.00 N ATOM 1245 CA ALA A 81 6.616 -7.398 10.398 1.00 0.00 C ATOM 1246 C ALA A 81 6.407 -7.322 8.905 1.00 0.00 C ATOM 1247 O ALA A 81 5.935 -6.314 8.378 1.00 0.00 O ATOM 1248 CB ALA A 81 5.337 -7.784 11.103 1.00 0.00 C ATOM 0 H ALA A 81 6.393 -5.479 11.164 1.00 0.00 H new ATOM 0 HA ALA A 81 7.358 -8.171 10.597 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.975 -8.733 10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.527 -7.886 12.171 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.585 -7.012 10.940 1.00 0.00 H new ATOM 1254 N MET A 82 6.770 -8.363 8.226 1.00 0.00 N ATOM 1255 CA MET A 82 6.639 -8.405 6.802 1.00 0.00 C ATOM 1256 C MET A 82 5.620 -9.470 6.427 1.00 0.00 C ATOM 1257 O MET A 82 5.703 -10.605 6.923 1.00 0.00 O ATOM 1258 CB MET A 82 7.953 -8.801 6.182 1.00 0.00 C ATOM 1259 CG MET A 82 9.149 -7.968 6.602 1.00 0.00 C ATOM 1260 SD MET A 82 10.699 -8.691 6.032 1.00 0.00 S ATOM 1261 CE MET A 82 10.426 -8.735 4.277 1.00 0.00 C ATOM 0 H MET A 82 7.165 -9.207 8.641 1.00 0.00 H new ATOM 0 HA MET A 82 6.329 -7.422 6.447 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.153 -9.843 6.430 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.855 -8.745 5.098 1.00 0.00 H new ATOM 0 HG2 MET A 82 9.049 -6.959 6.201 1.00 0.00 H new ATOM 0 HG3 MET A 82 9.167 -7.879 7.688 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.216 -9.316 3.800 1.00 0.00 H new ATOM 0 HE2 MET A 82 9.461 -9.197 4.070 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.434 -7.719 3.882 1.00 0.00 H new ATOM 1271 N PRO A 83 4.655 -9.151 5.578 1.00 0.00 N ATOM 1272 CA PRO A 83 4.460 -7.820 5.045 1.00 0.00 C ATOM 1273 C PRO A 83 3.430 -7.026 5.869 1.00 0.00 C ATOM 1274 O PRO A 83 2.588 -7.613 6.569 1.00 0.00 O ATOM 1275 CB PRO A 83 3.891 -8.106 3.663 1.00 0.00 C ATOM 1276 CG PRO A 83 3.100 -9.364 3.825 1.00 0.00 C ATOM 1277 CD PRO A 83 3.681 -10.099 5.013 1.00 0.00 C ATOM 0 HA PRO A 83 5.373 -7.225 5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.262 -7.286 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.685 -8.231 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.046 -9.139 3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.160 -9.976 2.925 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.910 -10.358 5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.160 -11.030 4.711 1.00 0.00 H new ATOM 1285 N THR A 84 3.515 -5.732 5.832 1.00 0.00 N ATOM 1286 CA THR A 84 2.525 -4.928 6.470 1.00 0.00 C ATOM 1287 C THR A 84 1.829 -4.071 5.435 1.00 0.00 C ATOM 1288 O THR A 84 2.479 -3.334 4.688 1.00 0.00 O ATOM 1289 CB THR A 84 3.117 -4.041 7.568 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.747 -4.849 8.580 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.053 -3.159 8.218 1.00 0.00 C ATOM 0 H THR A 84 4.260 -5.213 5.367 1.00 0.00 H new ATOM 0 HA THR A 84 1.810 -5.598 6.947 1.00 0.00 H new ATOM 0 HB THR A 84 3.858 -3.395 7.097 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.637 -5.122 8.274 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.513 -2.545 8.992 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.603 -2.515 7.463 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.282 -3.788 8.664 1.00 0.00 H new ATOM 1299 N PHE A 85 0.531 -4.156 5.398 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.245 -3.389 4.505 1.00 0.00 C ATOM 1301 C PHE A 85 -0.881 -2.292 5.293 1.00 0.00 C ATOM 1302 O PHE A 85 -1.553 -2.547 6.308 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.336 -4.243 3.888 1.00 0.00 C ATOM 1304 CG PHE A 85 -0.859 -5.401 3.061 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.626 -5.245 1.709 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.658 -6.649 3.636 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.200 -6.306 0.942 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.231 -7.712 2.872 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.002 -7.538 1.523 1.00 0.00 C ATOM 0 H PHE A 85 -0.013 -4.773 6.001 1.00 0.00 H new ATOM 0 HA PHE A 85 0.384 -2.995 3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.969 -4.627 4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.962 -3.606 3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.780 -4.280 1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.838 -6.787 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.021 -6.172 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.076 -8.679 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.333 -8.370 0.921 1.00 0.00 H new ATOM 1319 N MET A 86 -0.661 -1.094 4.880 1.00 0.00 N ATOM 1320 CA MET A 86 -1.194 0.018 5.576 1.00 0.00 C ATOM 1321 C MET A 86 -2.275 0.659 4.765 1.00 0.00 C ATOM 1322 O MET A 86 -2.057 1.086 3.625 1.00 0.00 O ATOM 1323 CB MET A 86 -0.094 1.005 5.887 1.00 0.00 C ATOM 1324 CG MET A 86 -0.529 2.215 6.685 1.00 0.00 C ATOM 1325 SD MET A 86 0.851 3.302 7.049 1.00 0.00 S ATOM 1326 CE MET A 86 0.021 4.564 7.979 1.00 0.00 C ATOM 0 H MET A 86 -0.109 -0.860 4.055 1.00 0.00 H new ATOM 0 HA MET A 86 -1.628 -0.319 6.517 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.692 0.489 6.438 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.345 1.345 4.949 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.288 2.765 6.128 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.991 1.889 7.617 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.284 5.543 7.579 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.057 4.420 7.906 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.325 4.505 9.024 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.423 0.715 5.345 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.553 1.291 4.761 1.00 0.00 C ATOM 1338 C PHE A 87 -4.865 2.586 5.464 1.00 0.00 C ATOM 1339 O PHE A 87 -5.136 2.607 6.683 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.720 0.337 4.894 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.625 -0.913 4.062 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -4.875 -1.999 4.484 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.301 -1.003 2.858 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -4.800 -3.144 3.718 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.229 -2.145 2.087 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.478 -3.216 2.518 1.00 0.00 C ATOM 0 H PHE A 87 -3.593 0.341 6.279 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.369 1.490 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.817 0.050 5.941 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.634 0.866 4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.343 -1.949 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.894 -0.167 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.211 -3.983 4.057 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.760 -2.199 1.148 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.420 -4.112 1.917 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.807 3.654 4.745 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.097 4.922 5.306 1.00 0.00 C ATOM 1358 C LEU A 88 -6.001 5.715 4.371 1.00 0.00 C ATOM 1359 O LEU A 88 -6.104 5.408 3.197 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.810 5.719 5.713 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.749 6.045 4.637 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.750 7.043 5.198 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.988 4.795 4.208 1.00 0.00 C ATOM 0 H LEU A 88 -4.558 3.670 3.756 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.635 4.755 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.134 6.664 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.313 5.156 6.503 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.268 6.457 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.001 7.274 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.270 7.957 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.261 6.615 6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.250 5.060 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.483 4.362 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.687 4.068 3.795 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.622 6.729 4.882 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.586 7.493 4.143 1.00 0.00 C ATOM 1377 C LYS A 89 -7.311 8.949 4.300 1.00 0.00 C ATOM 1378 O LYS A 89 -7.277 9.471 5.421 1.00 0.00 O ATOM 1379 CB LYS A 89 -8.980 7.156 4.645 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.127 7.920 4.011 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.458 7.432 4.569 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.636 8.172 3.966 1.00 0.00 C ATOM 1383 NZ LYS A 89 -12.649 9.612 4.312 1.00 0.00 N ATOM 0 H LYS A 89 -6.475 7.057 5.836 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.518 7.245 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.151 6.091 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.007 7.329 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.013 8.987 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.108 7.788 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.563 6.365 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.466 7.560 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.610 8.064 2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.562 7.712 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.358 10.102 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.888 9.725 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.710 10.021 4.131 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.073 9.594 3.164 1.00 0.00 N ATOM 1398 CA GLU A 90 -6.774 11.020 3.074 1.00 0.00 C ATOM 1399 C GLU A 90 -5.429 11.328 3.739 1.00 0.00 C ATOM 1400 O GLU A 90 -5.115 12.477 4.048 1.00 0.00 O ATOM 1401 CB GLU A 90 -7.873 11.845 3.723 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.247 11.669 3.116 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.307 12.294 3.966 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -10.548 13.518 3.856 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -10.910 11.569 4.782 1.00 0.00 O ATOM 0 H GLU A 90 -7.083 9.129 2.256 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.717 11.286 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.924 11.587 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.599 12.898 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.266 12.116 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.458 10.607 2.993 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.627 10.297 3.906 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.366 10.431 4.590 1.00 0.00 C ATOM 1414 C GLY A 91 -3.479 10.129 6.080 1.00 0.00 C ATOM 1415 O GLY A 91 -2.483 10.128 6.791 1.00 0.00 O ATOM 0 H GLY A 91 -4.831 9.354 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.638 9.757 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.988 11.444 4.455 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.681 9.859 6.549 1.00 0.00 N ATOM 1420 CA LYS A 92 -4.883 9.506 7.942 1.00 0.00 C ATOM 1421 C LYS A 92 -5.103 8.014 8.079 1.00 0.00 C ATOM 1422 O LYS A 92 -5.832 7.421 7.299 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.031 10.278 8.553 1.00 0.00 C ATOM 1424 CG LYS A 92 -5.797 11.765 8.585 1.00 0.00 C ATOM 1425 CD LYS A 92 -6.905 12.471 9.312 1.00 0.00 C ATOM 1426 CE LYS A 92 -6.653 13.955 9.380 1.00 0.00 C ATOM 1427 NZ LYS A 92 -5.363 14.279 10.036 1.00 0.00 N ATOM 0 H LYS A 92 -5.532 9.877 5.988 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.981 9.779 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.940 10.072 7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.200 9.922 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.845 11.976 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.725 12.147 7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.852 12.283 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.996 12.068 10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.659 14.369 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.466 14.434 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.346 15.288 10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.257 13.705 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.580 14.072 9.383 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.491 7.429 9.073 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.482 5.974 9.270 1.00 0.00 C ATOM 1443 C ILE A 93 -5.882 5.415 9.548 1.00 0.00 C ATOM 1444 O ILE A 93 -6.648 5.997 10.307 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.542 5.604 10.456 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -2.137 6.149 10.196 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.490 4.083 10.659 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -1.172 5.958 11.346 1.00 0.00 C ATOM 0 H ILE A 93 -3.973 7.941 9.787 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.120 5.528 8.343 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.939 6.055 11.365 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.729 5.662 9.310 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.209 7.213 9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.827 3.850 11.492 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.491 3.710 10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.114 3.608 9.753 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.200 6.372 11.078 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.553 6.469 12.230 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.066 4.894 11.560 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.215 4.306 8.900 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.440 3.608 9.172 1.00 0.00 C ATOM 1462 C LEU A 94 -7.158 2.273 9.803 1.00 0.00 C ATOM 1463 O LEU A 94 -7.481 2.048 10.966 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.280 3.397 7.917 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.925 4.617 7.282 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.755 4.189 6.088 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.799 5.348 8.285 1.00 0.00 C ATOM 0 H LEU A 94 -5.639 3.876 8.177 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.008 4.235 9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.647 2.924 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.071 2.688 8.159 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.138 5.297 6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.217 5.065 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.114 3.696 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.532 3.497 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.250 6.218 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.584 4.680 8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.191 5.672 9.130 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.530 1.396 9.044 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.296 0.041 9.482 1.00 0.00 C ATOM 1481 C ASP A 95 -5.040 -0.579 8.905 1.00 0.00 C ATOM 1482 O ASP A 95 -4.503 -0.123 7.889 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.520 -0.854 9.263 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.138 -0.761 7.888 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.713 -1.466 6.977 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -9.096 0.031 7.711 1.00 0.00 O ATOM 0 H ASP A 95 -6.171 1.605 8.112 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.125 0.112 10.556 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.233 -1.889 9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.277 -0.597 10.004 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.551 -1.583 9.599 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.343 -2.295 9.242 1.00 0.00 C ATOM 1493 C LYS A 96 -3.638 -3.763 9.022 1.00 0.00 C ATOM 1494 O LYS A 96 -4.508 -4.341 9.686 1.00 0.00 O ATOM 1495 CB LYS A 96 -2.345 -2.240 10.401 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.829 -0.877 10.788 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.975 -0.266 9.704 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.332 1.014 10.195 1.00 0.00 C ATOM 1499 NZ LYS A 96 0.524 0.773 11.380 1.00 0.00 N ATOM 0 H LYS A 96 -4.993 -1.936 10.448 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.946 -1.830 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.816 -2.686 11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.491 -2.867 10.144 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.671 -0.218 11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.247 -0.957 11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.204 -0.973 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.585 -0.060 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.266 1.451 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.107 1.738 10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.209 1.550 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.069 0.726 12.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.034 -0.126 11.263 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.927 -4.358 8.104 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.938 -5.790 7.958 1.00 0.00 C ATOM 1515 C VAL A 97 -1.512 -6.241 8.161 1.00 0.00 C ATOM 1516 O VAL A 97 -0.614 -5.814 7.425 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.432 -6.260 6.559 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.460 -7.784 6.473 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.799 -5.689 6.243 1.00 0.00 C ATOM 0 H VAL A 97 -2.327 -3.869 7.440 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.631 -6.220 8.681 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.726 -5.886 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.809 -8.086 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.457 -8.176 6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.135 -8.179 7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.119 -6.034 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.515 -6.021 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.748 -4.600 6.247 1.00 0.00 H new ATOM 1529 N VAL A 98 -1.293 -7.053 9.149 1.00 0.00 N ATOM 1530 CA VAL A 98 0.025 -7.519 9.449 1.00 0.00 C ATOM 1531 C VAL A 98 0.171 -9.002 9.115 1.00 0.00 C ATOM 1532 O VAL A 98 -0.555 -9.864 9.647 1.00 0.00 O ATOM 1533 CB VAL A 98 0.416 -7.201 10.926 1.00 0.00 C ATOM 1534 CG1 VAL A 98 -0.531 -7.836 11.934 1.00 0.00 C ATOM 1535 CG2 VAL A 98 1.852 -7.573 11.212 1.00 0.00 C ATOM 0 H VAL A 98 -2.021 -7.410 9.768 1.00 0.00 H new ATOM 0 HA VAL A 98 0.729 -6.979 8.816 1.00 0.00 H new ATOM 0 HB VAL A 98 0.319 -6.122 11.044 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.211 -7.582 12.944 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.542 -7.463 11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.520 -8.919 11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.089 -7.338 12.250 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.992 -8.640 11.041 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.512 -7.010 10.552 1.00 0.00 H new ATOM 1545 N GLY A 99 1.072 -9.297 8.209 1.00 0.00 N ATOM 1546 CA GLY A 99 1.264 -10.649 7.779 1.00 0.00 C ATOM 1547 C GLY A 99 0.374 -10.940 6.599 1.00 0.00 C ATOM 1548 O GLY A 99 -0.744 -10.410 6.515 1.00 0.00 O ATOM 0 H GLY A 99 1.681 -8.614 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.307 -10.809 7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.038 -11.335 8.595 1.00 0.00 H new ATOM 1552 N ALA A 100 0.829 -11.758 5.686 1.00 0.00 N ATOM 1553 CA ALA A 100 0.040 -12.017 4.523 1.00 0.00 C ATOM 1554 C ALA A 100 -1.038 -13.023 4.833 1.00 0.00 C ATOM 1555 O ALA A 100 -0.768 -14.200 5.089 1.00 0.00 O ATOM 1556 CB ALA A 100 0.920 -12.513 3.385 1.00 0.00 C ATOM 0 H ALA A 100 1.724 -12.245 5.727 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.435 -11.087 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.304 -12.706 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.667 -11.756 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.420 -13.433 3.686 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.238 -12.534 4.888 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.408 -13.321 4.982 1.00 0.00 C ATOM 1564 C LYS A 101 -4.315 -12.885 3.889 1.00 0.00 C ATOM 1565 O LYS A 101 -4.802 -11.749 3.926 1.00 0.00 O ATOM 1566 CB LYS A 101 -4.095 -13.108 6.299 1.00 0.00 C ATOM 1567 CG LYS A 101 -3.312 -13.563 7.492 1.00 0.00 C ATOM 1568 CD LYS A 101 -4.056 -13.349 8.757 1.00 0.00 C ATOM 1569 CE LYS A 101 -5.336 -14.183 8.845 1.00 0.00 C ATOM 1570 NZ LYS A 101 -6.110 -13.880 10.070 1.00 0.00 N ATOM 0 H LYS A 101 -2.427 -11.532 4.867 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.152 -14.377 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.318 -12.047 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.050 -13.634 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.072 -14.621 7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.365 -13.024 7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.409 -13.596 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.310 -12.293 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.955 -13.992 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.081 -15.243 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.819 -14.624 10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.467 -13.839 10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.589 -12.963 9.960 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.547 -13.713 2.916 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.399 -13.326 1.843 1.00 0.00 C ATOM 1586 C LYS A 102 -6.824 -13.145 2.356 1.00 0.00 C ATOM 1587 O LYS A 102 -7.495 -12.180 2.002 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.349 -14.337 0.711 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.157 -13.920 -0.487 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.118 -14.954 -1.590 1.00 0.00 C ATOM 1591 CE LYS A 102 -6.925 -14.491 -2.789 1.00 0.00 C ATOM 1592 NZ LYS A 102 -6.956 -15.504 -3.857 1.00 0.00 N ATOM 0 H LYS A 102 -4.159 -14.654 2.846 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.047 -12.375 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.312 -14.485 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.716 -15.298 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.191 -13.752 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.778 -12.971 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.086 -15.135 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.514 -15.900 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.944 -14.264 -2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.498 -13.567 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.517 -15.148 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.986 -15.702 -4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.387 -16.378 -3.494 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.238 -14.040 3.240 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.581 -14.024 3.845 1.00 0.00 C ATOM 1608 C ASP A 103 -8.796 -12.743 4.654 1.00 0.00 C ATOM 1609 O ASP A 103 -9.856 -12.116 4.590 1.00 0.00 O ATOM 1610 CB ASP A 103 -8.789 -15.258 4.765 1.00 0.00 C ATOM 1611 CG ASP A 103 -7.882 -15.258 5.997 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -6.712 -15.696 5.883 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -8.323 -14.786 7.080 1.00 0.00 O ATOM 0 H ASP A 103 -6.653 -14.809 3.567 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.309 -14.060 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.829 -15.289 5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.607 -16.166 4.189 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.774 -12.336 5.381 1.00 0.00 N ATOM 1619 CA GLU A 104 -7.861 -11.176 6.241 1.00 0.00 C ATOM 1620 C GLU A 104 -7.863 -9.941 5.381 1.00 0.00 C ATOM 1621 O GLU A 104 -8.545 -8.972 5.676 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.676 -11.152 7.193 1.00 0.00 C ATOM 1623 CG GLU A 104 -6.812 -10.217 8.369 1.00 0.00 C ATOM 1624 CD GLU A 104 -7.951 -10.628 9.256 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -7.852 -11.692 9.919 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -8.967 -9.921 9.290 1.00 0.00 O ATOM 0 H GLU A 104 -6.865 -12.799 5.391 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.777 -11.214 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.513 -12.162 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.785 -10.874 6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.885 -10.211 8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.973 -9.200 8.012 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.112 -10.001 4.301 1.00 0.00 N ATOM 1634 CA LEU A 105 -7.053 -8.927 3.349 1.00 0.00 C ATOM 1635 C LEU A 105 -8.419 -8.721 2.756 1.00 0.00 C ATOM 1636 O LEU A 105 -8.892 -7.605 2.645 1.00 0.00 O ATOM 1637 CB LEU A 105 -6.090 -9.275 2.241 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.815 -8.171 1.217 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -5.209 -6.944 1.887 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.912 -8.678 0.114 1.00 0.00 C ATOM 0 H LEU A 105 -6.526 -10.801 4.064 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.717 -8.020 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.142 -9.570 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.476 -10.146 1.711 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.767 -7.878 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.023 -6.175 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.900 -6.560 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.269 -7.218 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.729 -7.878 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.964 -9.006 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.391 -9.516 -0.392 1.00 0.00 H new ATOM 1652 N GLN A 106 -9.056 -9.825 2.397 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.414 -9.780 1.815 1.00 0.00 C ATOM 1654 C GLN A 106 -11.371 -9.147 2.804 1.00 0.00 C ATOM 1655 O GLN A 106 -12.249 -8.357 2.425 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.962 -11.174 1.443 1.00 0.00 C ATOM 1657 CG GLN A 106 -10.077 -12.038 0.561 1.00 0.00 C ATOM 1658 CD GLN A 106 -9.601 -11.342 -0.681 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.254 -11.370 -1.719 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -8.435 -10.750 -0.597 1.00 0.00 N ATOM 0 H GLN A 106 -8.668 -10.764 2.492 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.337 -9.194 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.161 -11.720 2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.919 -11.041 0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.212 -12.365 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.627 -12.935 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.925 -10.751 0.286 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.037 -10.289 -1.415 1.00 0.00 H new ATOM 1669 N SER A 107 -11.181 -9.479 4.065 1.00 0.00 N ATOM 1670 CA SER A 107 -11.999 -8.960 5.124 1.00 0.00 C ATOM 1671 C SER A 107 -11.731 -7.464 5.304 1.00 0.00 C ATOM 1672 O SER A 107 -12.644 -6.681 5.521 1.00 0.00 O ATOM 1673 CB SER A 107 -11.715 -9.728 6.404 1.00 0.00 C ATOM 1674 OG SER A 107 -11.956 -11.122 6.215 1.00 0.00 O ATOM 0 H SER A 107 -10.451 -10.119 4.377 1.00 0.00 H new ATOM 0 HA SER A 107 -13.052 -9.085 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.680 -9.570 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.345 -9.350 7.209 1.00 0.00 H new ATOM 0 HG SER A 107 -11.240 -11.506 5.667 1.00 0.00 H new ATOM 1680 N THR A 108 -10.477 -7.085 5.171 1.00 0.00 N ATOM 1681 CA THR A 108 -10.074 -5.710 5.242 1.00 0.00 C ATOM 1682 C THR A 108 -10.672 -4.911 4.074 1.00 0.00 C ATOM 1683 O THR A 108 -11.125 -3.779 4.255 1.00 0.00 O ATOM 1684 CB THR A 108 -8.538 -5.602 5.264 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.042 -6.270 6.440 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.082 -4.150 5.274 1.00 0.00 C ATOM 0 H THR A 108 -9.707 -7.734 5.009 1.00 0.00 H new ATOM 0 HA THR A 108 -10.455 -5.281 6.169 1.00 0.00 H new ATOM 0 HB THR A 108 -8.144 -6.071 4.362 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.147 -7.239 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.993 -4.111 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.451 -3.647 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.476 -3.651 6.160 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.710 -5.514 2.892 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.309 -4.868 1.740 1.00 0.00 C ATOM 1696 C ILE A 109 -12.799 -4.630 2.012 1.00 0.00 C ATOM 1697 O ILE A 109 -13.310 -3.540 1.789 1.00 0.00 O ATOM 1698 CB ILE A 109 -11.115 -5.709 0.451 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.617 -5.889 0.166 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.813 -5.046 -0.743 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -9.308 -6.782 -1.013 1.00 0.00 C ATOM 0 H ILE A 109 -10.334 -6.445 2.710 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.811 -3.912 1.578 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.567 -6.689 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.173 -4.909 -0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.138 -6.301 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.663 -5.654 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.880 -4.959 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.392 -4.054 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.228 -6.853 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.719 -7.776 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.754 -6.362 -1.914 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.465 -5.641 2.556 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.884 -5.543 2.893 1.00 0.00 C ATOM 1715 C ALA A 110 -15.118 -4.546 4.029 1.00 0.00 C ATOM 1716 O ALA A 110 -16.155 -3.906 4.092 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.457 -6.909 3.243 1.00 0.00 C ATOM 0 H ALA A 110 -13.044 -6.544 2.775 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.408 -5.172 2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.514 -6.808 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.346 -7.579 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.922 -7.319 4.100 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.144 -4.442 4.923 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.166 -3.487 6.028 1.00 0.00 C ATOM 1725 C LYS A 111 -14.181 -2.074 5.480 1.00 0.00 C ATOM 1726 O LYS A 111 -14.873 -1.189 5.989 1.00 0.00 O ATOM 1727 CB LYS A 111 -12.920 -3.669 6.854 1.00 0.00 C ATOM 1728 CG LYS A 111 -12.854 -2.829 8.125 1.00 0.00 C ATOM 1729 CD LYS A 111 -11.542 -3.044 8.886 1.00 0.00 C ATOM 1730 CE LYS A 111 -11.383 -4.481 9.396 1.00 0.00 C ATOM 1731 NZ LYS A 111 -12.452 -4.862 10.349 1.00 0.00 N ATOM 0 H LYS A 111 -13.306 -5.024 4.903 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.055 -3.655 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.836 -4.721 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.055 -3.431 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.956 -1.775 7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.694 -3.083 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.704 -2.800 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.500 -2.356 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.393 -5.168 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.413 -4.587 9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.221 -5.779 10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.529 -4.139 11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.358 -4.936 9.843 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.387 -1.873 4.455 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.320 -0.608 3.776 1.00 0.00 C ATOM 1747 C HIS A 112 -14.563 -0.328 2.960 1.00 0.00 C ATOM 1748 O HIS A 112 -14.996 0.816 2.860 1.00 0.00 O ATOM 1749 CB HIS A 112 -12.071 -0.498 2.921 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.824 -0.231 3.696 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.288 1.021 3.834 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.002 -1.055 4.366 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.193 0.949 4.550 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.002 -0.304 4.886 1.00 0.00 N ATOM 0 H HIS A 112 -12.769 -2.587 4.070 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.265 0.157 4.550 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.946 -1.424 2.359 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.211 0.301 2.193 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.118 -2.124 4.471 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.557 1.780 4.818 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.227 -0.656 5.448 1.00 0.00 H new ATOM 1763 N LEU A 113 -15.138 -1.359 2.375 1.00 0.00 N ATOM 1764 CA LEU A 113 -16.313 -1.233 1.623 1.00 0.00 C ATOM 1765 C LEU A 113 -17.524 -1.014 2.522 1.00 0.00 C ATOM 1766 O LEU A 113 -17.419 -1.062 3.758 1.00 0.00 O ATOM 1767 CB LEU A 113 -16.489 -2.472 0.805 1.00 0.00 C ATOM 1768 CG LEU A 113 -15.451 -2.746 -0.253 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -15.792 -4.008 -1.015 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -15.275 -1.565 -1.198 1.00 0.00 C ATOM 0 H LEU A 113 -14.776 -2.311 2.425 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.230 -0.363 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -16.515 -3.325 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.463 -2.422 0.319 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.496 -2.893 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -15.032 -4.191 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.826 -4.851 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.764 -3.892 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.518 -1.806 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -16.221 -1.354 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -14.960 -0.689 -0.631 1.00 0.00 H new