USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 953 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 18 HIS : no HD1:sc= 0.355 K(o=0.75,f=-1.1) USER MOD Set 1.2: A 81 TYR OH : rot -119:sc= 0.399 USER MOD Set 2.1: A 22 MET CE :methyl 149:sc= -0.337 (180deg=-1.71!) USER MOD Set 2.2: A 104 ASN : amide:sc= 0.604 K(o=0.27,f=-1.8) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.106 (180deg=-0.555) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 14 CYS SG : rot 66:sc= 0.095 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0.223) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.947) USER MOD Single : A 34 SER OG : rot 105:sc= 0.541 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 163:sc= 0 (180deg=-0.341) USER MOD Single : A 38 TYR OH : rot -116:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 40 SER OG : rot -160:sc= -1.6 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.492 K(o=-0.49,f=-4.1!) USER MOD Single : A 53 THR OG1 : rot 110:sc= -1.98! USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 1.26 (180deg=0.15!) USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.03) USER MOD Single : A 59 GLN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= -0.069 (180deg=-0.42) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0983 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.13) USER MOD Single : A 76 CYS SG : rot 73:sc= -4.76! USER MOD Single : A 80 HIS : no HE2:sc= 0.358 K(o=0.36,f=-5.1!) USER MOD Single : A 82 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -82:sc= 0.183 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 100 TYR OH : rot 36:sc= 0.00528 USER MOD Single : A 101 ASN : amide:sc= -0.416 K(o=-0.42,f=-6.8!) USER MOD Single : A 107 MET CE :methyl -156:sc= -0.193 (180deg=-0.702) USER MOD Single : A 108 LYS NZ :NH3+ -172:sc= 1.22 (180deg=0.994) USER MOD Single : A 109 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0157) USER MOD Single : A 113 ASN : amide:sc= 1.14 K(o=1.1,f=-0.054) USER MOD Single : A 116 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.14) USER MOD Single : A 119 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00527) USER MOD Single : A 120 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0555) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.853 20.801 4.583 1.00 0.00 N ATOM 2 CA MET A 1 -14.416 19.397 4.417 1.00 0.00 C ATOM 3 C MET A 1 -13.835 19.183 3.030 1.00 0.00 C ATOM 4 O MET A 1 -14.507 18.677 2.133 1.00 0.00 O ATOM 5 CB MET A 1 -15.589 18.438 4.648 1.00 0.00 C ATOM 6 CG MET A 1 -15.750 18.011 6.097 1.00 0.00 C ATOM 7 SD MET A 1 -17.164 16.915 6.348 1.00 0.00 S ATOM 8 CE MET A 1 -18.521 18.021 5.958 1.00 0.00 C ATOM 0 H1 MET A 1 -15.248 20.931 5.536 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.039 21.435 4.456 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.580 21.024 3.874 1.00 0.00 H new ATOM 0 HA MET A 1 -13.644 19.190 5.158 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.510 18.917 4.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.449 17.551 4.030 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.842 17.506 6.426 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.867 18.897 6.722 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.446 17.625 6.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.322 19.005 6.383 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.621 18.107 4.876 1.00 0.00 H new ATOM 18 N VAL A 2 -12.591 19.602 2.854 1.00 0.00 N ATOM 19 CA VAL A 2 -11.894 19.445 1.579 1.00 0.00 C ATOM 20 C VAL A 2 -10.815 18.392 1.742 1.00 0.00 C ATOM 21 O VAL A 2 -9.961 18.186 0.882 1.00 0.00 O ATOM 22 CB VAL A 2 -11.234 20.752 1.111 1.00 0.00 C ATOM 23 CG1 VAL A 2 -11.188 20.827 -0.412 1.00 0.00 C ATOM 24 CG2 VAL A 2 -11.940 21.963 1.701 1.00 0.00 C ATOM 0 H VAL A 2 -12.038 20.056 3.581 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.630 19.153 0.830 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.207 20.758 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.716 21.761 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.613 19.987 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.202 20.787 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.452 22.874 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.983 21.966 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.891 21.918 2.789 1.00 0.00 H new ATOM 34 N ASP A 3 -10.898 17.739 2.878 1.00 0.00 N ATOM 35 CA ASP A 3 -9.976 16.690 3.312 1.00 0.00 C ATOM 36 C ASP A 3 -10.060 15.411 2.470 1.00 0.00 C ATOM 37 O ASP A 3 -10.041 14.307 3.007 1.00 0.00 O ATOM 38 CB ASP A 3 -10.253 16.354 4.781 1.00 0.00 C ATOM 39 CG ASP A 3 -11.682 16.667 5.185 1.00 0.00 C ATOM 40 OD1 ASP A 3 -12.517 15.743 5.206 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.973 17.854 5.461 1.00 0.00 O ATOM 0 H ASP A 3 -11.635 17.924 3.559 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.967 17.081 3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.053 15.297 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.567 16.916 5.415 1.00 0.00 H new ATOM 46 N LEU A 4 -10.119 15.562 1.156 1.00 0.00 N ATOM 47 CA LEU A 4 -10.166 14.425 0.252 1.00 0.00 C ATOM 48 C LEU A 4 -8.743 13.984 -0.074 1.00 0.00 C ATOM 49 O LEU A 4 -8.522 12.987 -0.758 1.00 0.00 O ATOM 50 CB LEU A 4 -10.939 14.773 -1.029 1.00 0.00 C ATOM 51 CG LEU A 4 -10.506 16.055 -1.740 1.00 0.00 C ATOM 52 CD1 LEU A 4 -9.599 15.733 -2.918 1.00 0.00 C ATOM 53 CD2 LEU A 4 -11.724 16.837 -2.201 1.00 0.00 C ATOM 0 H LEU A 4 -10.136 16.469 0.690 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.693 13.604 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.841 13.942 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.997 14.857 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.945 16.670 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.301 16.658 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.712 15.210 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.133 15.100 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.402 17.748 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.308 16.227 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.337 17.098 -1.338 1.00 0.00 H new ATOM 65 N GLU A 5 -7.782 14.760 0.417 1.00 0.00 N ATOM 66 CA GLU A 5 -6.365 14.464 0.224 1.00 0.00 C ATOM 67 C GLU A 5 -5.555 14.916 1.440 1.00 0.00 C ATOM 68 O GLU A 5 -4.330 14.857 1.439 1.00 0.00 O ATOM 69 CB GLU A 5 -5.840 15.145 -1.041 1.00 0.00 C ATOM 70 CG GLU A 5 -6.303 16.579 -1.186 1.00 0.00 C ATOM 71 CD GLU A 5 -5.154 17.553 -1.292 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.138 18.535 -0.519 1.00 0.00 O ATOM 73 OE2 GLU A 5 -4.258 17.345 -2.143 1.00 0.00 O ATOM 0 H GLU A 5 -7.961 15.607 0.957 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.254 13.386 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.750 15.122 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.164 14.576 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.931 16.666 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.922 16.845 -0.329 1.00 0.00 H new ATOM 80 N GLN A 6 -6.253 15.356 2.484 1.00 0.00 N ATOM 81 CA GLN A 6 -5.601 15.827 3.701 1.00 0.00 C ATOM 82 C GLN A 6 -5.243 14.653 4.595 1.00 0.00 C ATOM 83 O GLN A 6 -4.182 14.624 5.213 1.00 0.00 O ATOM 84 CB GLN A 6 -6.513 16.792 4.455 1.00 0.00 C ATOM 85 CG GLN A 6 -5.788 17.655 5.476 1.00 0.00 C ATOM 86 CD GLN A 6 -6.730 18.574 6.229 1.00 0.00 C ATOM 87 OE1 GLN A 6 -7.812 18.977 5.584 1.00 0.00 O flip ATOM 88 NE2 GLN A 6 -6.482 18.925 7.381 1.00 0.00 N flip ATOM 0 H GLN A 6 -7.272 15.396 2.511 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.688 16.351 3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -7.013 17.440 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.290 16.220 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.267 17.013 6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.030 18.252 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.637 18.592 7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.122 19.549 7.873 1.00 0.00 H new ATOM 97 N GLU A 7 -6.144 13.684 4.657 1.00 0.00 N ATOM 98 CA GLU A 7 -5.922 12.487 5.463 1.00 0.00 C ATOM 99 C GLU A 7 -5.145 11.480 4.634 1.00 0.00 C ATOM 100 O GLU A 7 -4.675 10.460 5.127 1.00 0.00 O ATOM 101 CB GLU A 7 -7.252 11.875 5.913 1.00 0.00 C ATOM 102 CG GLU A 7 -8.393 12.871 5.969 1.00 0.00 C ATOM 103 CD GLU A 7 -9.219 12.741 7.234 1.00 0.00 C ATOM 104 OE1 GLU A 7 -10.049 11.809 7.322 1.00 0.00 O ATOM 105 OE2 GLU A 7 -9.032 13.565 8.157 1.00 0.00 O ATOM 0 H GLU A 7 -7.035 13.700 4.161 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.358 12.757 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.519 11.068 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.122 11.429 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.991 13.882 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.038 12.728 5.102 1.00 0.00 H new ATOM 112 N PHE A 8 -4.972 11.838 3.375 1.00 0.00 N ATOM 113 CA PHE A 8 -4.288 11.020 2.403 1.00 0.00 C ATOM 114 C PHE A 8 -3.045 11.776 2.028 1.00 0.00 C ATOM 115 O PHE A 8 -2.855 12.163 0.877 1.00 0.00 O ATOM 116 CB PHE A 8 -5.125 10.777 1.129 1.00 0.00 C ATOM 117 CG PHE A 8 -6.625 10.662 1.302 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.354 11.633 1.972 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.313 9.593 0.744 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.724 11.546 2.084 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.688 9.498 0.859 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.392 10.477 1.530 1.00 0.00 C ATOM 0 H PHE A 8 -5.311 12.723 2.997 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.085 10.040 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.926 11.592 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.767 9.861 0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.838 12.473 2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.768 8.826 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.274 12.315 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.210 8.659 0.424 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.466 10.405 1.621 1.00 0.00 H new ATOM 132 N ALA A 9 -2.218 12.026 3.011 1.00 0.00 N ATOM 133 CA ALA A 9 -1.035 12.779 2.793 1.00 0.00 C ATOM 134 C ALA A 9 0.070 12.346 3.727 1.00 0.00 C ATOM 135 O ALA A 9 0.083 11.222 4.228 1.00 0.00 O ATOM 136 CB ALA A 9 -1.346 14.260 2.954 1.00 0.00 C ATOM 0 H ALA A 9 -2.354 11.712 3.972 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.681 12.599 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.440 14.842 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.104 14.553 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.717 14.446 3.962 1.00 0.00 H new ATOM 142 N LEU A 10 0.971 13.271 3.952 1.00 0.00 N ATOM 143 CA LEU A 10 2.157 13.062 4.769 1.00 0.00 C ATOM 144 C LEU A 10 1.830 12.537 6.163 1.00 0.00 C ATOM 145 O LEU A 10 1.404 13.292 7.039 1.00 0.00 O ATOM 146 CB LEU A 10 2.916 14.378 4.880 1.00 0.00 C ATOM 147 CG LEU A 10 3.867 14.706 3.718 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.085 15.106 2.478 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.821 15.818 4.117 1.00 0.00 C ATOM 0 H LEU A 10 0.905 14.213 3.567 1.00 0.00 H new ATOM 0 HA LEU A 10 2.766 12.301 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.191 15.187 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.494 14.365 5.804 1.00 0.00 H new ATOM 0 HG LEU A 10 4.445 13.811 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.778 15.334 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.434 14.285 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.481 15.987 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.489 16.040 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.252 16.711 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.408 15.502 4.979 1.00 0.00 H new ATOM 161 N GLY A 11 2.021 11.236 6.358 1.00 0.00 N ATOM 162 CA GLY A 11 1.766 10.630 7.650 1.00 0.00 C ATOM 163 C GLY A 11 0.296 10.605 7.991 1.00 0.00 C ATOM 164 O GLY A 11 -0.079 10.616 9.164 1.00 0.00 O ATOM 0 H GLY A 11 2.349 10.589 5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.155 9.612 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.306 11.181 8.420 1.00 0.00 H new ATOM 168 N GLY A 12 -0.531 10.575 6.962 1.00 0.00 N ATOM 169 CA GLY A 12 -1.959 10.546 7.158 1.00 0.00 C ATOM 170 C GLY A 12 -2.482 9.139 7.318 1.00 0.00 C ATOM 171 O GLY A 12 -1.989 8.210 6.675 1.00 0.00 O ATOM 0 H GLY A 12 -0.234 10.570 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.215 11.130 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.451 11.021 6.309 1.00 0.00 H new ATOM 175 N ARG A 13 -3.455 8.974 8.197 1.00 0.00 N ATOM 176 CA ARG A 13 -4.057 7.676 8.427 1.00 0.00 C ATOM 177 C ARG A 13 -5.173 7.467 7.414 1.00 0.00 C ATOM 178 O ARG A 13 -6.090 8.284 7.302 1.00 0.00 O ATOM 179 CB ARG A 13 -4.583 7.569 9.863 1.00 0.00 C ATOM 180 CG ARG A 13 -5.690 8.556 10.179 1.00 0.00 C ATOM 181 CD ARG A 13 -5.657 8.999 11.632 1.00 0.00 C ATOM 182 NE ARG A 13 -6.256 10.319 11.803 1.00 0.00 N ATOM 183 CZ ARG A 13 -6.922 10.713 12.886 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.115 9.882 13.908 1.00 0.00 N ATOM 185 NH2 ARG A 13 -7.413 11.943 12.939 1.00 0.00 N ATOM 0 H ARG A 13 -3.845 9.727 8.764 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.307 6.895 8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.951 6.557 10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.757 7.728 10.556 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.595 9.428 9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.656 8.100 9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.190 8.274 12.247 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.626 9.018 11.984 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.157 10.987 11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.751 8.930 13.867 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.627 10.197 14.732 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.279 12.580 12.153 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.925 12.253 13.765 1.00 0.00 H new ATOM 199 N CYS A 14 -5.092 6.391 6.665 1.00 0.00 N ATOM 200 CA CYS A 14 -6.083 6.120 5.653 1.00 0.00 C ATOM 201 C CYS A 14 -6.471 4.657 5.611 1.00 0.00 C ATOM 202 O CYS A 14 -5.821 3.797 6.210 1.00 0.00 O ATOM 203 CB CYS A 14 -5.562 6.541 4.282 1.00 0.00 C ATOM 204 SG CYS A 14 -5.956 8.246 3.847 1.00 0.00 S ATOM 0 H CYS A 14 -4.352 5.692 6.738 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.971 6.697 5.911 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.480 6.411 4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.979 5.877 3.525 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.321 9.055 4.642 1.00 0.00 H new ATOM 210 N LEU A 15 -7.554 4.405 4.909 1.00 0.00 N ATOM 211 CA LEU A 15 -8.059 3.068 4.708 1.00 0.00 C ATOM 212 C LEU A 15 -7.734 2.686 3.284 1.00 0.00 C ATOM 213 O LEU A 15 -7.768 3.536 2.400 1.00 0.00 O ATOM 214 CB LEU A 15 -9.563 3.020 4.956 1.00 0.00 C ATOM 215 CG LEU A 15 -9.982 3.083 6.424 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.486 3.254 6.532 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.537 1.830 7.168 1.00 0.00 C ATOM 0 H LEU A 15 -8.112 5.130 4.458 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.600 2.369 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.029 3.850 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.958 2.102 4.521 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.495 3.943 6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.773 3.298 7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.784 4.178 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.983 2.410 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.846 1.897 8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.994 0.953 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.452 1.742 7.116 1.00 0.00 H new ATOM 229 N ALA A 16 -7.409 1.441 3.044 1.00 0.00 N ATOM 230 CA ALA A 16 -7.057 1.034 1.704 1.00 0.00 C ATOM 231 C ALA A 16 -7.621 -0.338 1.423 1.00 0.00 C ATOM 232 O ALA A 16 -7.841 -1.125 2.344 1.00 0.00 O ATOM 233 CB ALA A 16 -5.547 1.095 1.508 1.00 0.00 C ATOM 0 H ALA A 16 -7.380 0.701 3.745 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.496 1.724 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.299 0.785 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.200 2.115 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.060 0.428 2.220 1.00 0.00 H new ATOM 239 N PHE A 17 -7.872 -0.617 0.162 1.00 0.00 N ATOM 240 CA PHE A 17 -8.451 -1.883 -0.210 1.00 0.00 C ATOM 241 C PHE A 17 -7.393 -2.938 -0.470 1.00 0.00 C ATOM 242 O PHE A 17 -6.760 -2.969 -1.528 1.00 0.00 O ATOM 243 CB PHE A 17 -9.353 -1.722 -1.431 1.00 0.00 C ATOM 244 CG PHE A 17 -10.761 -1.341 -1.082 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.215 -0.044 -1.277 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.633 -2.282 -0.561 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.517 0.300 -0.961 1.00 0.00 C ATOM 248 CE2 PHE A 17 -12.933 -1.942 -0.242 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.377 -0.650 -0.443 1.00 0.00 C ATOM 0 H PHE A 17 -7.684 0.014 -0.617 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.052 -2.224 0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.931 -0.962 -2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.365 -2.657 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.546 0.703 -1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.292 -3.294 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.862 1.311 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.602 -2.686 0.164 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.394 -0.382 -0.196 1.00 0.00 H new ATOM 259 N HIS A 18 -7.217 -3.804 0.510 1.00 0.00 N ATOM 260 CA HIS A 18 -6.293 -4.907 0.402 1.00 0.00 C ATOM 261 C HIS A 18 -7.115 -6.118 0.021 1.00 0.00 C ATOM 262 O HIS A 18 -7.766 -6.741 0.869 1.00 0.00 O ATOM 263 CB HIS A 18 -5.543 -5.145 1.718 1.00 0.00 C ATOM 264 CG HIS A 18 -4.393 -6.102 1.595 1.00 0.00 C ATOM 265 ND1 HIS A 18 -3.147 -5.673 1.211 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.350 -7.441 1.816 1.00 0.00 C ATOM 267 CE1 HIS A 18 -2.378 -6.748 1.201 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.064 -7.842 1.559 1.00 0.00 N ATOM 0 H HIS A 18 -7.712 -3.759 1.401 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.529 -4.696 -0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.171 -4.191 2.091 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.243 -5.527 2.461 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.170 -8.069 2.133 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.331 -6.745 0.938 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.699 -8.792 1.627 1.00 0.00 H new ATOM 276 N GLY A 19 -7.134 -6.410 -1.265 1.00 0.00 N ATOM 277 CA GLY A 19 -7.923 -7.511 -1.754 1.00 0.00 C ATOM 278 C GLY A 19 -9.390 -7.148 -1.738 1.00 0.00 C ATOM 279 O GLY A 19 -9.812 -6.242 -2.458 1.00 0.00 O ATOM 0 H GLY A 19 -6.615 -5.902 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.615 -7.767 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.752 -8.393 -1.137 1.00 0.00 H new ATOM 283 N PRO A 20 -10.199 -7.829 -0.918 1.00 0.00 N ATOM 284 CA PRO A 20 -11.621 -7.561 -0.810 1.00 0.00 C ATOM 285 C PRO A 20 -12.004 -6.630 0.339 1.00 0.00 C ATOM 286 O PRO A 20 -13.163 -6.235 0.436 1.00 0.00 O ATOM 287 CB PRO A 20 -12.210 -8.946 -0.533 1.00 0.00 C ATOM 288 CG PRO A 20 -11.053 -9.842 -0.172 1.00 0.00 C ATOM 289 CD PRO A 20 -9.824 -8.971 -0.085 1.00 0.00 C ATOM 0 HA PRO A 20 -11.981 -7.059 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.935 -8.903 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.735 -9.326 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.237 -10.344 0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.920 -10.621 -0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.607 -8.673 0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.937 -9.478 -0.464 1.00 0.00 H new ATOM 297 N LEU A 21 -11.061 -6.266 1.211 1.00 0.00 N ATOM 298 CA LEU A 21 -11.433 -5.428 2.347 1.00 0.00 C ATOM 299 C LEU A 21 -10.581 -4.190 2.551 1.00 0.00 C ATOM 300 O LEU A 21 -9.559 -3.987 1.908 1.00 0.00 O ATOM 301 CB LEU A 21 -11.431 -6.252 3.626 1.00 0.00 C ATOM 302 CG LEU A 21 -12.711 -7.041 3.868 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.727 -7.597 5.276 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.930 -6.164 3.642 1.00 0.00 C ATOM 0 H LEU A 21 -10.076 -6.526 1.157 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.431 -5.063 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.591 -6.946 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.263 -5.586 4.473 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.742 -7.869 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.648 -8.159 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.871 -8.257 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.674 -6.777 5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.835 -6.746 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.902 -5.318 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.930 -5.798 2.615 1.00 0.00 H new ATOM 316 N MET A 22 -11.052 -3.379 3.492 1.00 0.00 N ATOM 317 CA MET A 22 -10.431 -2.128 3.877 1.00 0.00 C ATOM 318 C MET A 22 -9.505 -2.330 5.064 1.00 0.00 C ATOM 319 O MET A 22 -9.895 -2.918 6.072 1.00 0.00 O ATOM 320 CB MET A 22 -11.519 -1.122 4.278 1.00 0.00 C ATOM 321 CG MET A 22 -11.216 0.305 3.863 1.00 0.00 C ATOM 322 SD MET A 22 -12.081 0.785 2.360 1.00 0.00 S ATOM 323 CE MET A 22 -13.787 0.567 2.869 1.00 0.00 C ATOM 0 H MET A 22 -11.900 -3.584 4.020 1.00 0.00 H new ATOM 0 HA MET A 22 -9.855 -1.756 3.030 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.465 -1.427 3.831 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.651 -1.156 5.359 1.00 0.00 H new ATOM 0 HG2 MET A 22 -11.495 0.982 4.671 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.142 0.415 3.711 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.418 1.284 2.344 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.112 -0.446 2.630 1.00 0.00 H new ATOM 0 HE3 MET A 22 -13.870 0.730 3.944 1.00 0.00 H new ATOM 333 N TYR A 23 -8.285 -1.853 4.946 1.00 0.00 N ATOM 334 CA TYR A 23 -7.328 -1.957 6.029 1.00 0.00 C ATOM 335 C TYR A 23 -6.747 -0.588 6.333 1.00 0.00 C ATOM 336 O TYR A 23 -6.562 0.223 5.429 1.00 0.00 O ATOM 337 CB TYR A 23 -6.220 -2.950 5.683 1.00 0.00 C ATOM 338 CG TYR A 23 -6.648 -4.393 5.828 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.466 -5.069 7.027 1.00 0.00 C ATOM 340 CD2 TYR A 23 -7.242 -5.078 4.774 1.00 0.00 C ATOM 341 CE1 TYR A 23 -6.857 -6.383 7.173 1.00 0.00 C ATOM 342 CE2 TYR A 23 -7.637 -6.395 4.912 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.442 -7.042 6.115 1.00 0.00 C ATOM 344 OH TYR A 23 -7.833 -8.356 6.261 1.00 0.00 O ATOM 0 H TYR A 23 -7.931 -1.388 4.110 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.841 -2.328 6.916 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.892 -2.776 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.361 -2.766 6.328 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.010 -4.556 7.861 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.397 -4.573 3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.705 -6.893 8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.095 -6.915 4.084 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.229 -8.674 5.423 1.00 0.00 H new ATOM 354 N GLU A 24 -6.483 -0.326 7.604 1.00 0.00 N ATOM 355 CA GLU A 24 -5.940 0.961 8.011 1.00 0.00 C ATOM 356 C GLU A 24 -4.431 0.986 7.840 1.00 0.00 C ATOM 357 O GLU A 24 -3.752 -0.013 8.075 1.00 0.00 O ATOM 358 CB GLU A 24 -6.326 1.278 9.457 1.00 0.00 C ATOM 359 CG GLU A 24 -6.087 0.136 10.434 1.00 0.00 C ATOM 360 CD GLU A 24 -6.974 0.227 11.658 1.00 0.00 C ATOM 361 OE1 GLU A 24 -8.114 -0.268 11.600 1.00 0.00 O ATOM 362 OE2 GLU A 24 -6.539 0.794 12.682 1.00 0.00 O ATOM 0 H GLU A 24 -6.635 -0.984 8.368 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.368 1.730 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.761 2.149 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.381 1.552 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.266 -0.813 9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.042 0.140 10.745 1.00 0.00 H new ATOM 369 N ALA A 25 -3.915 2.124 7.412 1.00 0.00 N ATOM 370 CA ALA A 25 -2.485 2.271 7.198 1.00 0.00 C ATOM 371 C ALA A 25 -2.036 3.724 7.279 1.00 0.00 C ATOM 372 O ALA A 25 -2.822 4.647 7.067 1.00 0.00 O ATOM 373 CB ALA A 25 -2.101 1.682 5.852 1.00 0.00 C ATOM 0 H ALA A 25 -4.463 2.959 7.206 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.977 1.730 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.028 1.796 5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.361 0.624 5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.638 2.204 5.060 1.00 0.00 H new ATOM 379 N LYS A 26 -0.762 3.912 7.602 1.00 0.00 N ATOM 380 CA LYS A 26 -0.170 5.240 7.690 1.00 0.00 C ATOM 381 C LYS A 26 0.579 5.533 6.400 1.00 0.00 C ATOM 382 O LYS A 26 1.440 4.753 5.989 1.00 0.00 O ATOM 383 CB LYS A 26 0.789 5.321 8.882 1.00 0.00 C ATOM 384 CG LYS A 26 1.352 6.715 9.129 1.00 0.00 C ATOM 385 CD LYS A 26 2.684 6.663 9.868 1.00 0.00 C ATOM 386 CE LYS A 26 3.139 8.054 10.292 1.00 0.00 C ATOM 387 NZ LYS A 26 4.575 8.081 10.688 1.00 0.00 N ATOM 0 H LYS A 26 -0.114 3.152 7.809 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.959 5.978 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.267 4.987 9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.616 4.630 8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.484 7.228 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.637 7.299 9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.589 6.026 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.440 6.211 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.977 8.753 9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.527 8.396 11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.740 8.872 11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.823 7.186 11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.166 8.203 9.841 1.00 0.00 H new ATOM 401 N ILE A 27 0.235 6.630 5.753 1.00 0.00 N ATOM 402 CA ILE A 27 0.880 7.015 4.508 1.00 0.00 C ATOM 403 C ILE A 27 2.242 7.620 4.765 1.00 0.00 C ATOM 404 O ILE A 27 2.370 8.697 5.344 1.00 0.00 O ATOM 405 CB ILE A 27 0.009 7.995 3.697 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.409 7.440 3.544 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.630 8.234 2.329 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.414 8.449 3.046 1.00 0.00 C ATOM 0 H ILE A 27 -0.490 7.274 6.069 1.00 0.00 H new ATOM 0 HA ILE A 27 1.007 6.107 3.919 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.044 8.944 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.385 6.596 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.743 7.055 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.008 8.927 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.627 8.657 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.701 7.288 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.393 7.977 2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.470 9.283 3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.106 8.817 2.067 1.00 0.00 H new ATOM 420 N LEU A 28 3.254 6.902 4.325 1.00 0.00 N ATOM 421 CA LEU A 28 4.622 7.320 4.500 1.00 0.00 C ATOM 422 C LEU A 28 5.083 8.181 3.332 1.00 0.00 C ATOM 423 O LEU A 28 5.856 9.117 3.503 1.00 0.00 O ATOM 424 CB LEU A 28 5.522 6.098 4.645 1.00 0.00 C ATOM 425 CG LEU A 28 6.723 6.327 5.543 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.402 5.954 6.978 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.934 5.562 5.042 1.00 0.00 C ATOM 0 H LEU A 28 3.148 6.013 3.837 1.00 0.00 H new ATOM 0 HA LEU A 28 4.686 7.921 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.935 5.271 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.870 5.795 3.658 1.00 0.00 H new ATOM 0 HG LEU A 28 6.965 7.389 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.278 6.126 7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.574 6.566 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.123 4.901 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.780 5.745 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.710 4.495 5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.184 5.895 4.035 1.00 0.00 H new ATOM 439 N LYS A 29 4.623 7.856 2.138 1.00 0.00 N ATOM 440 CA LYS A 29 5.004 8.620 0.964 1.00 0.00 C ATOM 441 C LYS A 29 3.792 8.887 0.088 1.00 0.00 C ATOM 442 O LYS A 29 2.915 8.044 -0.044 1.00 0.00 O ATOM 443 CB LYS A 29 6.069 7.880 0.144 1.00 0.00 C ATOM 444 CG LYS A 29 7.140 7.213 0.988 1.00 0.00 C ATOM 445 CD LYS A 29 8.211 6.555 0.132 1.00 0.00 C ATOM 446 CE LYS A 29 9.230 5.844 1.003 1.00 0.00 C ATOM 447 NZ LYS A 29 10.328 5.224 0.213 1.00 0.00 N ATOM 0 H LYS A 29 3.991 7.076 1.956 1.00 0.00 H new ATOM 0 HA LYS A 29 5.420 9.567 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.580 7.123 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.544 8.586 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.602 7.954 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.680 6.464 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.750 5.843 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.709 7.308 -0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.655 6.555 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.728 5.073 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.825 4.524 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.930 4.753 -0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.997 5.961 -0.089 1.00 0.00 H new ATOM 461 N ILE A 30 3.747 10.066 -0.496 1.00 0.00 N ATOM 462 CA ILE A 30 2.652 10.458 -1.378 1.00 0.00 C ATOM 463 C ILE A 30 3.151 10.426 -2.803 1.00 0.00 C ATOM 464 O ILE A 30 4.289 10.766 -3.048 1.00 0.00 O ATOM 465 CB ILE A 30 2.109 11.868 -1.026 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.219 11.819 0.211 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.323 12.458 -2.180 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.916 11.346 1.460 1.00 0.00 C ATOM 0 H ILE A 30 4.463 10.783 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 30 1.826 9.758 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 30 2.973 12.501 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.813 12.814 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.374 11.161 0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.956 13.446 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.969 12.543 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.479 11.810 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.211 11.342 2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.298 10.337 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.744 12.016 1.691 1.00 0.00 H new ATOM 480 N TRP A 31 2.313 10.040 -3.742 1.00 0.00 N ATOM 481 CA TRP A 31 2.751 9.935 -5.113 1.00 0.00 C ATOM 482 C TRP A 31 1.982 10.845 -6.046 1.00 0.00 C ATOM 483 O TRP A 31 0.750 10.839 -6.051 1.00 0.00 O ATOM 484 CB TRP A 31 2.559 8.520 -5.584 1.00 0.00 C ATOM 485 CG TRP A 31 2.835 8.359 -7.029 1.00 0.00 C ATOM 486 CD1 TRP A 31 1.951 8.427 -8.057 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.096 8.131 -7.595 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.597 8.200 -9.245 1.00 0.00 N ATOM 489 CE2 TRP A 31 3.919 8.008 -8.982 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.356 7.992 -7.049 1.00 0.00 C ATOM 491 CZ2 TRP A 31 4.972 7.756 -9.837 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.404 7.743 -7.895 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.203 7.618 -9.277 1.00 0.00 C ATOM 0 H TRP A 31 1.336 9.797 -3.582 1.00 0.00 H new ATOM 0 HA TRP A 31 3.799 10.233 -5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.215 7.860 -5.017 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.536 8.207 -5.376 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.895 8.630 -7.954 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.162 8.179 -10.167 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.511 8.077 -5.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.825 7.672 -10.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.401 7.641 -7.491 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.049 7.406 -9.914 1.00 0.00 H new ATOM 504 N ASP A 32 2.716 11.553 -6.889 1.00 0.00 N ATOM 505 CA ASP A 32 2.116 12.443 -7.863 1.00 0.00 C ATOM 506 C ASP A 32 2.429 11.918 -9.266 1.00 0.00 C ATOM 507 O ASP A 32 3.585 11.902 -9.692 1.00 0.00 O ATOM 508 CB ASP A 32 2.634 13.862 -7.675 1.00 0.00 C ATOM 509 CG ASP A 32 1.626 14.892 -8.124 1.00 0.00 C ATOM 510 OD1 ASP A 32 1.806 15.462 -9.215 1.00 0.00 O ATOM 511 OD2 ASP A 32 0.646 15.139 -7.382 1.00 0.00 O ATOM 0 H ASP A 32 3.735 11.526 -6.916 1.00 0.00 H new ATOM 0 HA ASP A 32 1.035 12.471 -7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.876 14.024 -6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.559 13.989 -8.238 1.00 0.00 H new ATOM 516 N PRO A 33 1.389 11.483 -9.999 1.00 0.00 N ATOM 517 CA PRO A 33 1.523 10.889 -11.346 1.00 0.00 C ATOM 518 C PRO A 33 1.894 11.877 -12.450 1.00 0.00 C ATOM 519 O PRO A 33 1.706 11.590 -13.632 1.00 0.00 O ATOM 520 CB PRO A 33 0.127 10.331 -11.611 1.00 0.00 C ATOM 521 CG PRO A 33 -0.781 11.197 -10.815 1.00 0.00 C ATOM 522 CD PRO A 33 -0.019 11.547 -9.570 1.00 0.00 C ATOM 0 HA PRO A 33 2.335 10.162 -11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.120 10.368 -12.672 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.052 9.288 -11.302 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.055 12.093 -11.371 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.707 10.676 -10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.282 12.539 -9.204 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.225 10.844 -8.763 1.00 0.00 H new ATOM 530 N SER A 34 2.421 13.025 -12.077 1.00 0.00 N ATOM 531 CA SER A 34 2.792 14.029 -13.063 1.00 0.00 C ATOM 532 C SER A 34 4.271 13.920 -13.415 1.00 0.00 C ATOM 533 O SER A 34 4.636 13.691 -14.567 1.00 0.00 O ATOM 534 CB SER A 34 2.456 15.425 -12.555 1.00 0.00 C ATOM 535 OG SER A 34 1.126 15.459 -12.073 1.00 0.00 O ATOM 0 H SER A 34 2.602 13.288 -11.108 1.00 0.00 H new ATOM 0 HA SER A 34 2.216 13.848 -13.971 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.147 15.707 -11.760 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.579 16.152 -13.358 1.00 0.00 H new ATOM 0 HG SER A 34 1.133 15.464 -11.093 1.00 0.00 H new ATOM 541 N SER A 35 5.120 14.080 -12.414 1.00 0.00 N ATOM 542 CA SER A 35 6.551 13.996 -12.616 1.00 0.00 C ATOM 543 C SER A 35 7.037 12.587 -12.309 1.00 0.00 C ATOM 544 O SER A 35 8.137 12.216 -12.698 1.00 0.00 O ATOM 545 CB SER A 35 7.269 15.018 -11.735 1.00 0.00 C ATOM 546 OG SER A 35 6.552 16.242 -11.689 1.00 0.00 O ATOM 0 H SER A 35 4.839 14.269 -11.452 1.00 0.00 H new ATOM 0 HA SER A 35 6.777 14.222 -13.658 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.381 14.620 -10.727 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.273 15.195 -12.121 1.00 0.00 H new ATOM 0 HG SER A 35 7.030 16.880 -11.118 1.00 0.00 H new ATOM 552 N LYS A 36 6.208 11.842 -11.565 1.00 0.00 N ATOM 553 CA LYS A 36 6.472 10.456 -11.182 1.00 0.00 C ATOM 554 C LYS A 36 7.411 10.449 -9.982 1.00 0.00 C ATOM 555 O LYS A 36 8.206 9.539 -9.726 1.00 0.00 O ATOM 556 CB LYS A 36 6.949 9.589 -12.362 1.00 0.00 C ATOM 557 CG LYS A 36 8.440 9.388 -12.421 1.00 0.00 C ATOM 558 CD LYS A 36 8.821 8.128 -13.178 1.00 0.00 C ATOM 559 CE LYS A 36 8.613 6.884 -12.325 1.00 0.00 C ATOM 560 NZ LYS A 36 9.278 5.688 -12.909 1.00 0.00 N ATOM 0 H LYS A 36 5.320 12.196 -11.208 1.00 0.00 H new ATOM 0 HA LYS A 36 5.539 9.980 -10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.465 8.614 -12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.619 10.050 -13.293 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.902 10.251 -12.900 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.838 9.335 -11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.223 8.052 -14.086 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.864 8.189 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.003 7.062 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.545 6.690 -12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.111 4.864 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.888 5.501 -13.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.301 5.862 -12.984 1.00 0.00 H new ATOM 574 N MET A 37 7.285 11.513 -9.247 1.00 0.00 N ATOM 575 CA MET A 37 7.985 11.712 -8.045 1.00 0.00 C ATOM 576 C MET A 37 7.020 11.345 -6.943 1.00 0.00 C ATOM 577 O MET A 37 5.859 11.023 -7.204 1.00 0.00 O ATOM 578 CB MET A 37 8.416 13.172 -7.926 1.00 0.00 C ATOM 579 CG MET A 37 9.320 13.636 -9.058 1.00 0.00 C ATOM 580 SD MET A 37 9.473 15.432 -9.136 1.00 0.00 S ATOM 581 CE MET A 37 10.669 15.604 -10.456 1.00 0.00 C ATOM 0 H MET A 37 6.665 12.286 -9.490 1.00 0.00 H new ATOM 0 HA MET A 37 8.890 11.107 -7.994 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.528 13.803 -7.900 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.935 13.313 -6.978 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.309 13.196 -8.931 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.927 13.268 -10.006 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.651 16.627 -10.833 1.00 0.00 H new ATOM 0 HE2 MET A 37 11.665 15.375 -10.077 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.421 14.915 -11.264 1.00 0.00 H new ATOM 591 N TYR A 38 7.466 11.442 -5.736 1.00 0.00 N ATOM 592 CA TYR A 38 6.662 11.094 -4.607 1.00 0.00 C ATOM 593 C TYR A 38 7.204 11.863 -3.424 1.00 0.00 C ATOM 594 O TYR A 38 8.402 12.157 -3.375 1.00 0.00 O ATOM 595 CB TYR A 38 6.701 9.579 -4.339 1.00 0.00 C ATOM 596 CG TYR A 38 8.083 9.011 -4.120 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.877 8.627 -5.191 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.589 8.859 -2.840 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.141 8.111 -4.990 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.849 8.343 -2.631 1.00 0.00 C ATOM 601 CZ TYR A 38 10.623 7.972 -3.709 1.00 0.00 C ATOM 602 OH TYR A 38 11.881 7.458 -3.504 1.00 0.00 O ATOM 0 H TYR A 38 8.404 11.767 -5.501 1.00 0.00 H new ATOM 0 HA TYR A 38 5.619 11.350 -4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.091 9.363 -3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.241 9.063 -5.182 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.500 8.734 -6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.986 9.150 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.748 7.818 -5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.229 8.230 -1.626 1.00 0.00 H new ATOM 0 HH TYR A 38 11.812 6.607 -3.024 1.00 0.00 H new ATOM 612 N THR A 39 6.358 12.226 -2.498 1.00 0.00 N ATOM 613 CA THR A 39 6.819 12.954 -1.350 1.00 0.00 C ATOM 614 C THR A 39 6.791 12.043 -0.142 1.00 0.00 C ATOM 615 O THR A 39 5.730 11.666 0.354 1.00 0.00 O ATOM 616 CB THR A 39 6.010 14.229 -1.116 1.00 0.00 C ATOM 617 OG1 THR A 39 4.635 13.918 -0.849 1.00 0.00 O ATOM 618 CG2 THR A 39 6.103 15.142 -2.321 1.00 0.00 C ATOM 0 H THR A 39 5.357 12.032 -2.516 1.00 0.00 H new ATOM 0 HA THR A 39 7.844 13.278 -1.529 1.00 0.00 H new ATOM 0 HB THR A 39 6.428 14.739 -0.248 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.135 14.748 -0.700 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.521 16.046 -2.139 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.145 15.410 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.709 14.628 -3.198 1.00 0.00 H new ATOM 626 N SER A 40 7.972 11.692 0.313 1.00 0.00 N ATOM 627 CA SER A 40 8.129 10.780 1.426 1.00 0.00 C ATOM 628 C SER A 40 8.190 11.515 2.750 1.00 0.00 C ATOM 629 O SER A 40 8.177 12.739 2.804 1.00 0.00 O ATOM 630 CB SER A 40 9.425 9.983 1.233 1.00 0.00 C ATOM 631 OG SER A 40 9.522 8.895 2.142 1.00 0.00 O ATOM 0 H SER A 40 8.852 12.030 -0.077 1.00 0.00 H new ATOM 0 HA SER A 40 7.264 10.117 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.470 9.607 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.281 10.645 1.367 1.00 0.00 H new ATOM 0 HG SER A 40 10.458 8.613 2.216 1.00 0.00 H new ATOM 637 N ILE A 41 8.189 10.755 3.821 1.00 0.00 N ATOM 638 CA ILE A 41 8.319 11.310 5.146 1.00 0.00 C ATOM 639 C ILE A 41 9.248 10.423 5.957 1.00 0.00 C ATOM 640 O ILE A 41 9.365 9.226 5.683 1.00 0.00 O ATOM 641 CB ILE A 41 6.964 11.435 5.888 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.419 10.051 6.260 1.00 0.00 C ATOM 643 CG2 ILE A 41 5.958 12.208 5.058 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.382 10.076 7.360 1.00 0.00 C ATOM 0 H ILE A 41 8.098 9.739 3.797 1.00 0.00 H new ATOM 0 HA ILE A 41 8.720 12.318 5.039 1.00 0.00 H new ATOM 0 HB ILE A 41 7.134 11.992 6.809 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.982 9.593 5.373 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.249 9.416 6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.016 12.281 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.341 13.209 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.792 11.691 4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.045 9.060 7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.819 10.503 8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.533 10.683 7.046 1.00 0.00 H new ATOM 656 N PRO A 42 9.956 11.002 6.924 1.00 0.00 N ATOM 657 CA PRO A 42 10.861 10.247 7.790 1.00 0.00 C ATOM 658 C PRO A 42 10.088 9.397 8.794 1.00 0.00 C ATOM 659 O PRO A 42 8.859 9.484 8.874 1.00 0.00 O ATOM 660 CB PRO A 42 11.644 11.343 8.503 1.00 0.00 C ATOM 661 CG PRO A 42 10.711 12.499 8.534 1.00 0.00 C ATOM 662 CD PRO A 42 9.952 12.439 7.244 1.00 0.00 C ATOM 0 HA PRO A 42 11.491 9.548 7.240 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.931 11.037 9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.563 11.587 7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.037 12.436 9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.255 13.439 8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.939 12.825 7.354 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.435 13.028 6.464 1.00 0.00 H new ATOM 670 N ASN A 43 10.793 8.590 9.572 1.00 0.00 N ATOM 671 CA ASN A 43 10.139 7.747 10.561 1.00 0.00 C ATOM 672 C ASN A 43 9.836 8.560 11.811 1.00 0.00 C ATOM 673 O ASN A 43 10.428 8.347 12.870 1.00 0.00 O ATOM 674 CB ASN A 43 11.002 6.528 10.904 1.00 0.00 C ATOM 675 CG ASN A 43 10.254 5.493 11.732 1.00 0.00 C ATOM 676 OD1 ASN A 43 10.320 5.495 12.963 1.00 0.00 O ATOM 677 ND2 ASN A 43 9.540 4.599 11.062 1.00 0.00 N ATOM 0 H ASN A 43 11.809 8.501 9.539 1.00 0.00 H new ATOM 0 HA ASN A 43 9.203 7.381 10.140 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.352 6.065 9.982 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.885 6.856 11.452 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.020 3.880 11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.510 4.630 10.043 1.00 0.00 H new ATOM 684 N ASP A 44 8.933 9.526 11.644 1.00 0.00 N ATOM 685 CA ASP A 44 8.504 10.417 12.720 1.00 0.00 C ATOM 686 C ASP A 44 9.701 11.134 13.338 1.00 0.00 C ATOM 687 O ASP A 44 10.194 10.753 14.400 1.00 0.00 O ATOM 688 CB ASP A 44 7.720 9.652 13.791 1.00 0.00 C ATOM 689 CG ASP A 44 6.539 8.884 13.219 1.00 0.00 C ATOM 690 OD1 ASP A 44 5.589 9.524 12.710 1.00 0.00 O ATOM 691 OD2 ASP A 44 6.556 7.636 13.260 1.00 0.00 O ATOM 0 H ASP A 44 8.476 9.713 10.752 1.00 0.00 H new ATOM 0 HA ASP A 44 7.840 11.166 12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.389 8.956 14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.361 10.354 14.543 1.00 0.00 H new ATOM 696 N LYS A 45 10.166 12.165 12.651 1.00 0.00 N ATOM 697 CA LYS A 45 11.317 12.941 13.101 1.00 0.00 C ATOM 698 C LYS A 45 11.018 13.739 14.368 1.00 0.00 C ATOM 699 O LYS A 45 9.954 14.340 14.502 1.00 0.00 O ATOM 700 CB LYS A 45 11.788 13.890 11.991 1.00 0.00 C ATOM 701 CG LYS A 45 10.660 14.557 11.209 1.00 0.00 C ATOM 702 CD LYS A 45 10.206 15.859 11.853 1.00 0.00 C ATOM 703 CE LYS A 45 9.552 16.782 10.839 1.00 0.00 C ATOM 704 NZ LYS A 45 8.893 17.951 11.482 1.00 0.00 N ATOM 0 H LYS A 45 9.762 12.488 11.772 1.00 0.00 H new ATOM 0 HA LYS A 45 12.108 12.229 13.337 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.414 14.665 12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.415 13.332 11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.994 14.755 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.814 13.873 11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.502 15.643 12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.062 16.361 12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.304 17.135 10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.814 16.222 10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.461 18.552 10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.156 17.618 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.600 18.502 12.009 1.00 0.00 H new ATOM 718 N PRO A 46 11.960 13.735 15.320 1.00 0.00 N ATOM 719 CA PRO A 46 11.827 14.482 16.566 1.00 0.00 C ATOM 720 C PRO A 46 12.313 15.925 16.407 1.00 0.00 C ATOM 721 O PRO A 46 12.208 16.733 17.328 1.00 0.00 O ATOM 722 CB PRO A 46 12.735 13.707 17.518 1.00 0.00 C ATOM 723 CG PRO A 46 13.823 13.177 16.645 1.00 0.00 C ATOM 724 CD PRO A 46 13.220 12.965 15.276 1.00 0.00 C ATOM 0 HA PRO A 46 10.796 14.561 16.910 1.00 0.00 H new ATOM 0 HB2 PRO A 46 13.133 14.352 18.301 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.195 12.900 18.014 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.656 13.879 16.596 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.217 12.242 17.043 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.881 13.325 14.488 1.00 0.00 H new ATOM 0 HD3 PRO A 46 13.036 11.909 15.080 1.00 0.00 H new ATOM 732 N GLY A 47 12.840 16.240 15.223 1.00 0.00 N ATOM 733 CA GLY A 47 13.336 17.575 14.956 1.00 0.00 C ATOM 734 C GLY A 47 14.695 17.829 15.585 1.00 0.00 C ATOM 735 O GLY A 47 14.880 18.813 16.299 1.00 0.00 O ATOM 0 H GLY A 47 12.931 15.588 14.444 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.405 17.724 13.878 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.622 18.306 15.334 1.00 0.00 H new ATOM 739 N GLY A 48 15.644 16.943 15.318 1.00 0.00 N ATOM 740 CA GLY A 48 16.975 17.094 15.873 1.00 0.00 C ATOM 741 C GLY A 48 18.061 16.807 14.859 1.00 0.00 C ATOM 742 O GLY A 48 17.825 16.900 13.654 1.00 0.00 O ATOM 0 H GLY A 48 15.517 16.122 14.727 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.095 18.109 16.251 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.089 16.422 16.723 1.00 0.00 H new ATOM 746 N SER A 49 19.248 16.450 15.356 1.00 0.00 N ATOM 747 CA SER A 49 20.402 16.141 14.509 1.00 0.00 C ATOM 748 C SER A 49 20.850 17.373 13.717 1.00 0.00 C ATOM 749 O SER A 49 20.349 18.480 13.934 1.00 0.00 O ATOM 750 CB SER A 49 20.067 14.976 13.570 1.00 0.00 C ATOM 751 OG SER A 49 19.437 13.924 14.287 1.00 0.00 O ATOM 0 H SER A 49 19.436 16.367 16.355 1.00 0.00 H new ATOM 0 HA SER A 49 21.232 15.844 15.150 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.412 15.322 12.771 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.978 14.608 13.098 1.00 0.00 H new ATOM 0 HG SER A 49 19.228 13.189 13.673 1.00 0.00 H new ATOM 757 N SER A 50 21.816 17.189 12.825 1.00 0.00 N ATOM 758 CA SER A 50 22.307 18.289 12.007 1.00 0.00 C ATOM 759 C SER A 50 21.324 18.585 10.877 1.00 0.00 C ATOM 760 O SER A 50 20.836 19.708 10.738 1.00 0.00 O ATOM 761 CB SER A 50 23.686 17.948 11.434 1.00 0.00 C ATOM 762 OG SER A 50 24.497 17.296 12.399 1.00 0.00 O ATOM 0 H SER A 50 22.272 16.293 12.651 1.00 0.00 H new ATOM 0 HA SER A 50 22.398 19.177 12.633 1.00 0.00 H new ATOM 0 HB2 SER A 50 23.571 17.307 10.560 1.00 0.00 H new ATOM 0 HB3 SER A 50 24.179 18.860 11.098 1.00 0.00 H new ATOM 0 HG SER A 50 25.370 17.089 12.006 1.00 0.00 H new ATOM 768 N GLN A 51 21.033 17.567 10.077 1.00 0.00 N ATOM 769 CA GLN A 51 20.111 17.701 8.963 1.00 0.00 C ATOM 770 C GLN A 51 19.157 16.517 8.915 1.00 0.00 C ATOM 771 O GLN A 51 19.365 15.563 8.157 1.00 0.00 O ATOM 772 CB GLN A 51 20.865 17.808 7.638 1.00 0.00 C ATOM 773 CG GLN A 51 21.579 19.136 7.442 1.00 0.00 C ATOM 774 CD GLN A 51 22.246 19.241 6.086 1.00 0.00 C ATOM 775 OE1 GLN A 51 21.652 19.726 5.123 1.00 0.00 O ATOM 776 NE2 GLN A 51 23.488 18.789 6.000 1.00 0.00 N ATOM 0 H GLN A 51 21.428 16.633 10.183 1.00 0.00 H new ATOM 0 HA GLN A 51 19.538 18.616 9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.596 17.002 7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.162 17.660 6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 51 20.863 19.950 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 51 22.329 19.260 8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 51 23.945 18.394 6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.987 18.836 5.112 1.00 0.00 H new ATOM 785 N ALA A 52 18.126 16.572 9.742 1.00 0.00 N ATOM 786 CA ALA A 52 17.124 15.519 9.787 1.00 0.00 C ATOM 787 C ALA A 52 15.884 15.971 9.037 1.00 0.00 C ATOM 788 O ALA A 52 15.262 16.970 9.410 1.00 0.00 O ATOM 789 CB ALA A 52 16.777 15.150 11.224 1.00 0.00 C ATOM 0 H ALA A 52 17.960 17.338 10.394 1.00 0.00 H new ATOM 0 HA ALA A 52 17.530 14.628 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.026 14.360 11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 52 17.673 14.799 11.736 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.384 16.026 11.740 1.00 0.00 H new ATOM 795 N THR A 53 15.541 15.239 7.980 1.00 0.00 N ATOM 796 CA THR A 53 14.393 15.567 7.145 1.00 0.00 C ATOM 797 C THR A 53 14.696 16.818 6.322 1.00 0.00 C ATOM 798 O THR A 53 15.023 16.720 5.136 1.00 0.00 O ATOM 799 CB THR A 53 13.117 15.772 7.989 1.00 0.00 C ATOM 800 OG1 THR A 53 12.971 14.694 8.921 1.00 0.00 O ATOM 801 CG2 THR A 53 11.876 15.859 7.113 1.00 0.00 C ATOM 0 H THR A 53 16.049 14.407 7.681 1.00 0.00 H new ATOM 0 HA THR A 53 14.209 14.728 6.474 1.00 0.00 H new ATOM 0 HB THR A 53 13.220 16.715 8.526 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.133 15.023 9.830 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.997 16.003 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.974 16.700 6.426 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.767 14.936 6.543 1.00 0.00 H new ATOM 809 N LYS A 54 14.629 17.978 6.979 1.00 0.00 N ATOM 810 CA LYS A 54 14.907 19.276 6.361 1.00 0.00 C ATOM 811 C LYS A 54 13.924 19.625 5.236 1.00 0.00 C ATOM 812 O LYS A 54 13.112 20.541 5.379 1.00 0.00 O ATOM 813 CB LYS A 54 16.348 19.323 5.836 1.00 0.00 C ATOM 814 CG LYS A 54 17.097 20.590 6.223 1.00 0.00 C ATOM 815 CD LYS A 54 17.566 21.362 4.999 1.00 0.00 C ATOM 816 CE LYS A 54 18.521 20.539 4.148 1.00 0.00 C ATOM 817 NZ LYS A 54 18.826 21.204 2.854 1.00 0.00 N ATOM 0 H LYS A 54 14.378 18.043 7.965 1.00 0.00 H new ATOM 0 HA LYS A 54 14.777 20.026 7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.893 18.459 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.333 19.238 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.450 21.225 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.957 20.330 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.703 21.654 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.060 22.281 5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.447 20.374 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 54 18.084 19.558 3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 19.103 20.488 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.983 21.711 2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.606 21.879 2.986 1.00 0.00 H new ATOM 831 N GLU A 55 13.989 18.896 4.128 1.00 0.00 N ATOM 832 CA GLU A 55 13.126 19.170 2.991 1.00 0.00 C ATOM 833 C GLU A 55 12.833 17.905 2.182 1.00 0.00 C ATOM 834 O GLU A 55 13.736 17.294 1.607 1.00 0.00 O ATOM 835 CB GLU A 55 13.787 20.229 2.095 1.00 0.00 C ATOM 836 CG GLU A 55 15.253 19.940 1.793 1.00 0.00 C ATOM 837 CD GLU A 55 15.979 21.122 1.184 1.00 0.00 C ATOM 838 OE1 GLU A 55 16.140 21.153 -0.055 1.00 0.00 O ATOM 839 OE2 GLU A 55 16.408 22.014 1.946 1.00 0.00 O ATOM 0 H GLU A 55 14.629 18.113 3.995 1.00 0.00 H new ATOM 0 HA GLU A 55 12.174 19.543 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.237 20.294 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.709 21.203 2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.757 19.647 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.317 19.092 1.112 1.00 0.00 H new ATOM 846 N ILE A 56 11.569 17.499 2.158 1.00 0.00 N ATOM 847 CA ILE A 56 11.155 16.343 1.375 1.00 0.00 C ATOM 848 C ILE A 56 10.431 16.837 0.147 1.00 0.00 C ATOM 849 O ILE A 56 9.225 17.088 0.174 1.00 0.00 O ATOM 850 CB ILE A 56 10.237 15.376 2.131 1.00 0.00 C ATOM 851 CG1 ILE A 56 10.731 15.139 3.564 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.180 14.073 1.356 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.069 14.432 3.651 1.00 0.00 C ATOM 0 H ILE A 56 10.814 17.953 2.672 1.00 0.00 H new ATOM 0 HA ILE A 56 12.059 15.785 1.128 1.00 0.00 H new ATOM 0 HB ILE A 56 9.239 15.808 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.806 16.099 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.986 14.551 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.531 13.368 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.785 14.261 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.183 13.653 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.345 14.304 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.996 13.455 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.829 15.028 3.146 1.00 0.00 H new ATOM 865 N LYS A 57 11.191 17.020 -0.909 1.00 0.00 N ATOM 866 CA LYS A 57 10.648 17.474 -2.166 1.00 0.00 C ATOM 867 C LYS A 57 10.252 16.255 -2.974 1.00 0.00 C ATOM 868 O LYS A 57 10.758 15.164 -2.715 1.00 0.00 O ATOM 869 CB LYS A 57 11.692 18.313 -2.915 1.00 0.00 C ATOM 870 CG LYS A 57 12.967 17.544 -3.222 1.00 0.00 C ATOM 871 CD LYS A 57 14.137 18.477 -3.475 1.00 0.00 C ATOM 872 CE LYS A 57 14.533 19.225 -2.211 1.00 0.00 C ATOM 873 NZ LYS A 57 15.521 20.297 -2.487 1.00 0.00 N ATOM 0 H LYS A 57 12.198 16.859 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 57 9.774 18.103 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.258 18.673 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.939 19.191 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.203 16.882 -2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.810 16.912 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.988 17.904 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.873 19.191 -4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.644 19.660 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.952 18.523 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.928 20.633 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.279 19.923 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.049 21.088 -2.971 1.00 0.00 H new ATOM 887 N PRO A 58 9.323 16.395 -3.923 1.00 0.00 N ATOM 888 CA PRO A 58 8.905 15.274 -4.753 1.00 0.00 C ATOM 889 C PRO A 58 10.107 14.613 -5.427 1.00 0.00 C ATOM 890 O PRO A 58 10.722 15.177 -6.335 1.00 0.00 O ATOM 891 CB PRO A 58 7.955 15.898 -5.783 1.00 0.00 C ATOM 892 CG PRO A 58 8.129 17.376 -5.657 1.00 0.00 C ATOM 893 CD PRO A 58 8.599 17.631 -4.255 1.00 0.00 C ATOM 0 HA PRO A 58 8.423 14.484 -4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.196 15.561 -6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.922 15.608 -5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.854 17.745 -6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.191 17.895 -5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.246 18.506 -4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.766 17.806 -3.575 1.00 0.00 H new ATOM 901 N GLN A 59 10.449 13.427 -4.949 1.00 0.00 N ATOM 902 CA GLN A 59 11.585 12.680 -5.472 1.00 0.00 C ATOM 903 C GLN A 59 11.117 11.626 -6.461 1.00 0.00 C ATOM 904 O GLN A 59 10.097 10.993 -6.256 1.00 0.00 O ATOM 905 CB GLN A 59 12.367 12.044 -4.321 1.00 0.00 C ATOM 906 CG GLN A 59 13.133 13.057 -3.482 1.00 0.00 C ATOM 907 CD GLN A 59 13.333 12.606 -2.048 1.00 0.00 C ATOM 908 OE1 GLN A 59 13.380 13.423 -1.126 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.458 11.305 -1.847 1.00 0.00 N ATOM 0 H GLN A 59 9.952 12.957 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 59 12.247 13.365 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.675 11.499 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.068 11.314 -4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.106 13.238 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.596 14.006 -3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.413 10.660 -2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.599 10.946 -0.903 1.00 0.00 H new ATOM 918 N LYS A 60 11.875 11.450 -7.527 1.00 0.00 N ATOM 919 CA LYS A 60 11.552 10.516 -8.579 1.00 0.00 C ATOM 920 C LYS A 60 11.816 9.107 -8.109 1.00 0.00 C ATOM 921 O LYS A 60 12.790 8.857 -7.388 1.00 0.00 O ATOM 922 CB LYS A 60 12.409 10.814 -9.814 1.00 0.00 C ATOM 923 CG LYS A 60 11.723 10.516 -11.136 1.00 0.00 C ATOM 924 CD LYS A 60 11.303 11.796 -11.837 1.00 0.00 C ATOM 925 CE LYS A 60 11.037 11.572 -13.319 1.00 0.00 C ATOM 926 NZ LYS A 60 12.272 11.207 -14.058 1.00 0.00 N ATOM 0 H LYS A 60 12.744 11.961 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 60 10.498 10.618 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.698 11.865 -9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.327 10.230 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.397 9.950 -11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.848 9.890 -10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.405 12.191 -11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.083 12.548 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.296 10.781 -13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.610 12.477 -13.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.149 11.423 -15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.075 11.751 -13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.458 10.190 -13.942 1.00 0.00 H new ATOM 940 N LEU A 61 10.941 8.200 -8.493 1.00 0.00 N ATOM 941 CA LEU A 61 11.089 6.807 -8.117 1.00 0.00 C ATOM 942 C LEU A 61 12.415 6.239 -8.568 1.00 0.00 C ATOM 943 O LEU A 61 12.827 6.435 -9.710 1.00 0.00 O ATOM 944 CB LEU A 61 9.992 5.959 -8.735 1.00 0.00 C ATOM 945 CG LEU A 61 8.718 5.841 -7.923 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.781 4.849 -8.585 1.00 0.00 C ATOM 947 CD2 LEU A 61 9.023 5.442 -6.488 1.00 0.00 C ATOM 0 H LEU A 61 10.121 8.401 -9.065 1.00 0.00 H new ATOM 0 HA LEU A 61 11.030 6.778 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.742 6.375 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.386 4.957 -8.907 1.00 0.00 H new ATOM 0 HG LEU A 61 8.227 6.814 -7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.866 4.766 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.538 5.193 -9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.265 3.874 -8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.092 5.364 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.534 4.479 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.662 6.196 -6.029 1.00 0.00 H new ATOM 959 N GLY A 62 13.094 5.588 -7.642 1.00 0.00 N ATOM 960 CA GLY A 62 14.342 4.923 -7.961 1.00 0.00 C ATOM 961 C GLY A 62 14.128 3.747 -8.909 1.00 0.00 C ATOM 962 O GLY A 62 13.538 3.902 -9.977 1.00 0.00 O ATOM 0 H GLY A 62 12.804 5.506 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.029 5.637 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.811 4.570 -7.043 1.00 0.00 H new ATOM 966 N GLU A 63 14.582 2.560 -8.529 1.00 0.00 N ATOM 967 CA GLU A 63 14.418 1.390 -9.390 1.00 0.00 C ATOM 968 C GLU A 63 13.862 0.197 -8.621 1.00 0.00 C ATOM 969 O GLU A 63 13.724 -0.892 -9.174 1.00 0.00 O ATOM 970 CB GLU A 63 15.755 1.020 -10.038 1.00 0.00 C ATOM 971 CG GLU A 63 16.512 2.222 -10.577 1.00 0.00 C ATOM 972 CD GLU A 63 17.334 1.907 -11.810 1.00 0.00 C ATOM 973 OE1 GLU A 63 18.468 1.408 -11.663 1.00 0.00 O ATOM 974 OE2 GLU A 63 16.848 2.165 -12.932 1.00 0.00 O ATOM 0 H GLU A 63 15.059 2.380 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 63 13.699 1.650 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.377 0.506 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.575 0.317 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.802 3.014 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.170 2.608 -9.798 1.00 0.00 H new ATOM 981 N ASP A 64 13.525 0.406 -7.355 1.00 0.00 N ATOM 982 CA ASP A 64 12.991 -0.683 -6.527 1.00 0.00 C ATOM 983 C ASP A 64 11.624 -0.320 -5.966 1.00 0.00 C ATOM 984 O ASP A 64 10.876 -1.175 -5.497 1.00 0.00 O ATOM 985 CB ASP A 64 13.954 -1.005 -5.374 1.00 0.00 C ATOM 986 CG ASP A 64 13.461 -2.144 -4.497 1.00 0.00 C ATOM 987 OD1 ASP A 64 13.695 -3.318 -4.852 1.00 0.00 O ATOM 988 OD2 ASP A 64 12.844 -1.873 -3.443 1.00 0.00 O ATOM 0 H ASP A 64 13.608 1.304 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 64 12.886 -1.563 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.930 -1.264 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.091 -0.114 -4.762 1.00 0.00 H new ATOM 993 N GLU A 65 11.279 0.949 -6.068 1.00 0.00 N ATOM 994 CA GLU A 65 10.023 1.440 -5.535 1.00 0.00 C ATOM 995 C GLU A 65 8.948 1.485 -6.607 1.00 0.00 C ATOM 996 O GLU A 65 7.924 2.148 -6.451 1.00 0.00 O ATOM 997 CB GLU A 65 10.264 2.814 -4.965 1.00 0.00 C ATOM 998 CG GLU A 65 11.006 2.783 -3.639 1.00 0.00 C ATOM 999 CD GLU A 65 10.890 4.076 -2.860 1.00 0.00 C ATOM 1000 OE1 GLU A 65 9.878 4.257 -2.153 1.00 0.00 O ATOM 1001 OE2 GLU A 65 11.818 4.905 -2.934 1.00 0.00 O ATOM 0 H GLU A 65 11.854 1.662 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 65 9.667 0.765 -4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.836 3.404 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.307 3.318 -4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.618 1.965 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.059 2.571 -3.824 1.00 0.00 H new ATOM 1008 N SER A 66 9.231 0.790 -7.698 1.00 0.00 N ATOM 1009 CA SER A 66 8.338 0.684 -8.849 1.00 0.00 C ATOM 1010 C SER A 66 6.879 0.489 -8.432 1.00 0.00 C ATOM 1011 O SER A 66 6.538 -0.447 -7.701 1.00 0.00 O ATOM 1012 CB SER A 66 8.801 -0.474 -9.727 1.00 0.00 C ATOM 1013 OG SER A 66 10.214 -0.605 -9.673 1.00 0.00 O ATOM 0 H SER A 66 10.103 0.273 -7.814 1.00 0.00 H new ATOM 0 HA SER A 66 8.382 1.620 -9.406 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.331 -1.400 -9.395 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.484 -0.307 -10.757 1.00 0.00 H new ATOM 0 HG SER A 66 10.495 -1.353 -10.240 1.00 0.00 H new ATOM 1019 N ILE A 67 6.033 1.382 -8.916 1.00 0.00 N ATOM 1020 CA ILE A 67 4.612 1.373 -8.599 1.00 0.00 C ATOM 1021 C ILE A 67 3.779 0.700 -9.688 1.00 0.00 C ATOM 1022 O ILE A 67 4.090 0.829 -10.872 1.00 0.00 O ATOM 1023 CB ILE A 67 4.114 2.818 -8.454 1.00 0.00 C ATOM 1024 CG1 ILE A 67 4.881 3.508 -7.350 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.618 2.883 -8.178 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.504 4.946 -7.195 1.00 0.00 C ATOM 0 H ILE A 67 6.312 2.137 -9.542 1.00 0.00 H new ATOM 0 HA ILE A 67 4.494 0.811 -7.672 1.00 0.00 H new ATOM 0 HB ILE A 67 4.288 3.330 -9.401 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.703 2.987 -6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.949 3.437 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.310 3.924 -8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.076 2.418 -9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.396 2.353 -7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.087 5.390 -6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.708 5.478 -8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.442 5.020 -6.960 1.00 0.00 H new ATOM 1038 N PRO A 68 2.736 -0.062 -9.297 1.00 0.00 N ATOM 1039 CA PRO A 68 1.819 -0.683 -10.254 1.00 0.00 C ATOM 1040 C PRO A 68 1.296 0.368 -11.235 1.00 0.00 C ATOM 1041 O PRO A 68 0.726 1.380 -10.820 1.00 0.00 O ATOM 1042 CB PRO A 68 0.688 -1.211 -9.368 1.00 0.00 C ATOM 1043 CG PRO A 68 1.329 -1.455 -8.043 1.00 0.00 C ATOM 1044 CD PRO A 68 2.409 -0.416 -7.902 1.00 0.00 C ATOM 0 HA PRO A 68 2.282 -1.464 -10.857 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.124 -0.488 -9.288 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.260 -2.127 -9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.600 -1.371 -7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.747 -2.460 -7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.061 0.450 -7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.278 -0.810 -7.374 1.00 0.00 H new ATOM 1052 N GLU A 69 1.490 0.134 -12.528 1.00 0.00 N ATOM 1053 CA GLU A 69 1.076 1.087 -13.558 1.00 0.00 C ATOM 1054 C GLU A 69 -0.428 1.354 -13.540 1.00 0.00 C ATOM 1055 O GLU A 69 -0.896 2.351 -14.090 1.00 0.00 O ATOM 1056 CB GLU A 69 1.520 0.603 -14.935 1.00 0.00 C ATOM 1057 CG GLU A 69 3.028 0.463 -15.055 1.00 0.00 C ATOM 1058 CD GLU A 69 3.484 0.283 -16.486 1.00 0.00 C ATOM 1059 OE1 GLU A 69 4.027 1.247 -17.067 1.00 0.00 O ATOM 1060 OE2 GLU A 69 3.297 -0.815 -17.041 1.00 0.00 O ATOM 0 H GLU A 69 1.933 -0.710 -12.892 1.00 0.00 H new ATOM 0 HA GLU A 69 1.566 2.035 -13.335 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.053 -0.359 -15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.164 1.301 -15.692 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.506 1.348 -14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.358 -0.390 -14.462 1.00 0.00 H new ATOM 1067 N GLU A 70 -1.172 0.478 -12.885 1.00 0.00 N ATOM 1068 CA GLU A 70 -2.616 0.629 -12.787 1.00 0.00 C ATOM 1069 C GLU A 70 -2.984 1.749 -11.809 1.00 0.00 C ATOM 1070 O GLU A 70 -4.090 2.286 -11.854 1.00 0.00 O ATOM 1071 CB GLU A 70 -3.261 -0.689 -12.344 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.594 -1.325 -11.131 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.562 -2.136 -10.290 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -3.164 -2.619 -9.214 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -4.737 -2.274 -10.687 1.00 0.00 O ATOM 0 H GLU A 70 -0.800 -0.346 -12.413 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.996 0.896 -13.773 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.312 -0.510 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.231 -1.394 -13.175 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.781 -1.969 -11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.149 -0.544 -10.514 1.00 0.00 H new ATOM 1082 N ILE A 71 -2.047 2.105 -10.931 1.00 0.00 N ATOM 1083 CA ILE A 71 -2.293 3.146 -9.938 1.00 0.00 C ATOM 1084 C ILE A 71 -1.271 4.286 -10.043 1.00 0.00 C ATOM 1085 O ILE A 71 -1.510 5.386 -9.551 1.00 0.00 O ATOM 1086 CB ILE A 71 -2.264 2.569 -8.498 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.826 2.261 -8.062 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -3.115 1.309 -8.406 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.689 1.901 -6.594 1.00 0.00 C ATOM 0 H ILE A 71 -1.116 1.690 -10.888 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.286 3.544 -10.147 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.678 3.323 -7.828 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.443 1.437 -8.665 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.200 3.128 -8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.081 0.920 -7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.146 1.546 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.728 0.558 -9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.357 1.697 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.039 2.732 -5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.286 1.015 -6.379 1.00 0.00 H new ATOM 1101 N ILE A 72 -0.145 4.013 -10.699 1.00 0.00 N ATOM 1102 CA ILE A 72 0.946 4.989 -10.868 1.00 0.00 C ATOM 1103 C ILE A 72 0.496 6.289 -11.518 1.00 0.00 C ATOM 1104 O ILE A 72 1.102 7.340 -11.315 1.00 0.00 O ATOM 1105 CB ILE A 72 2.074 4.367 -11.710 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.426 5.033 -11.418 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.755 4.408 -13.204 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.903 5.998 -12.492 1.00 0.00 C ATOM 0 H ILE A 72 0.043 3.109 -11.132 1.00 0.00 H new ATOM 0 HA ILE A 72 1.299 5.236 -9.867 1.00 0.00 H new ATOM 0 HB ILE A 72 2.148 3.319 -11.419 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.355 5.570 -10.472 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.178 4.255 -11.287 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.576 3.960 -13.764 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.838 3.851 -13.396 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.623 5.443 -13.520 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.865 6.420 -12.201 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.011 5.466 -13.437 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.175 6.801 -12.609 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.557 6.221 -12.301 1.00 0.00 N ATOM 1121 CA ASN A 73 -1.055 7.398 -12.970 1.00 0.00 C ATOM 1122 C ASN A 73 -2.318 7.892 -12.294 1.00 0.00 C ATOM 1123 O ASN A 73 -3.096 8.640 -12.881 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.313 7.104 -14.443 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.654 8.122 -15.355 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.268 9.111 -15.747 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.604 7.884 -15.694 1.00 0.00 N ATOM 0 H ASN A 73 -1.082 5.367 -12.489 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.300 8.182 -12.905 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.940 6.108 -14.684 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.387 7.095 -14.627 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.100 8.535 -16.303 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.077 7.050 -15.346 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.521 7.470 -11.053 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.708 7.899 -10.329 1.00 0.00 C ATOM 1136 C GLY A 74 -3.438 8.304 -8.893 1.00 0.00 C ATOM 1137 O GLY A 74 -4.254 8.012 -8.021 1.00 0.00 O ATOM 0 H GLY A 74 -1.898 6.848 -10.538 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.158 8.741 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.439 7.090 -10.337 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.313 8.998 -8.663 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.911 9.448 -7.319 1.00 0.00 C ATOM 1143 C LYS A 75 -1.846 8.279 -6.349 1.00 0.00 C ATOM 1144 O LYS A 75 -2.863 7.773 -5.878 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.851 10.529 -6.786 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.302 11.270 -5.578 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.872 12.682 -5.948 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.083 13.342 -4.827 1.00 0.00 C ATOM 1149 NZ LYS A 75 -0.837 14.785 -5.089 1.00 0.00 N ATOM 0 H LYS A 75 -1.658 9.263 -9.399 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.914 9.881 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.054 11.247 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.804 10.071 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.061 11.311 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.452 10.724 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.264 12.652 -6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.753 13.283 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.627 13.232 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.129 12.829 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.402 15.221 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.197 14.886 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.739 15.259 -5.297 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.642 7.878 -6.018 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.461 6.745 -5.132 1.00 0.00 C ATOM 1165 C CYS A 76 -0.042 7.199 -3.752 1.00 0.00 C ATOM 1166 O CYS A 76 0.233 8.376 -3.524 1.00 0.00 O ATOM 1167 CB CYS A 76 0.579 5.779 -5.691 1.00 0.00 C ATOM 1168 SG CYS A 76 0.475 5.528 -7.474 1.00 0.00 S ATOM 0 H CYS A 76 0.222 8.312 -6.343 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.419 6.230 -5.057 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.573 6.152 -5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.468 4.816 -5.193 1.00 0.00 H new ATOM 0 HG CYS A 76 0.920 6.584 -8.088 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.022 6.257 -2.835 1.00 0.00 N ATOM 1175 CA PHE A 77 0.359 6.510 -1.468 1.00 0.00 C ATOM 1176 C PHE A 77 1.127 5.326 -0.929 1.00 0.00 C ATOM 1177 O PHE A 77 0.594 4.218 -0.844 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.878 6.783 -0.611 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.561 8.062 -0.981 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -2.811 8.054 -1.569 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -0.937 9.273 -0.755 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -3.423 9.233 -1.930 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -1.545 10.457 -1.109 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.791 10.438 -1.699 1.00 0.00 C ATOM 0 H PHE A 77 -0.272 5.286 -3.022 1.00 0.00 H new ATOM 0 HA PHE A 77 0.997 7.393 -1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.580 5.956 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.588 6.821 0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.313 7.114 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.040 9.292 -0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.398 9.215 -2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.047 11.398 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.271 11.364 -1.980 1.00 0.00 H new ATOM 1194 N PHE A 78 2.383 5.549 -0.595 1.00 0.00 N ATOM 1195 CA PHE A 78 3.203 4.489 -0.048 1.00 0.00 C ATOM 1196 C PHE A 78 2.894 4.400 1.424 1.00 0.00 C ATOM 1197 O PHE A 78 3.400 5.177 2.232 1.00 0.00 O ATOM 1198 CB PHE A 78 4.694 4.753 -0.275 1.00 0.00 C ATOM 1199 CG PHE A 78 5.570 3.581 0.071 1.00 0.00 C ATOM 1200 CD1 PHE A 78 6.267 3.546 1.267 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.700 2.515 -0.806 1.00 0.00 C ATOM 1202 CE1 PHE A 78 7.072 2.470 1.585 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.503 1.436 -0.493 1.00 0.00 C ATOM 1204 CZ PHE A 78 7.191 1.414 0.703 1.00 0.00 C ATOM 0 H PHE A 78 2.854 6.448 -0.692 1.00 0.00 H new ATOM 0 HA PHE A 78 2.978 3.548 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.853 5.019 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.998 5.613 0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.180 4.370 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.167 2.529 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.608 2.454 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.592 0.610 -1.183 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.821 0.572 0.949 1.00 0.00 H new ATOM 1214 N ILE A 79 2.027 3.475 1.757 1.00 0.00 N ATOM 1215 CA ILE A 79 1.601 3.292 3.121 1.00 0.00 C ATOM 1216 C ILE A 79 2.272 2.116 3.752 1.00 0.00 C ATOM 1217 O ILE A 79 2.940 1.308 3.111 1.00 0.00 O ATOM 1218 CB ILE A 79 0.089 3.054 3.230 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.242 1.654 2.720 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.689 4.118 2.474 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.688 1.479 2.342 1.00 0.00 C ATOM 0 H ILE A 79 1.599 2.831 1.092 1.00 0.00 H new ATOM 0 HA ILE A 79 1.873 4.214 3.634 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.208 3.126 4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.381 1.435 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.015 0.926 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.757 3.924 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.460 5.100 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.408 4.095 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.851 0.461 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.317 1.666 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.945 2.183 1.551 1.00 0.00 H new ATOM 1233 N HIS A 80 2.047 2.048 5.021 1.00 0.00 N ATOM 1234 CA HIS A 80 2.539 1.004 5.843 1.00 0.00 C ATOM 1235 C HIS A 80 1.344 0.527 6.654 1.00 0.00 C ATOM 1236 O HIS A 80 0.907 1.207 7.589 1.00 0.00 O ATOM 1237 CB HIS A 80 3.683 1.577 6.675 1.00 0.00 C ATOM 1238 CG HIS A 80 3.958 0.877 7.958 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.867 -0.141 8.087 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.448 1.091 9.179 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.907 -0.530 9.348 1.00 0.00 C ATOM 1242 NE2 HIS A 80 4.052 0.204 10.037 1.00 0.00 N ATOM 0 H HIS A 80 1.497 2.742 5.527 1.00 0.00 H new ATOM 0 HA HIS A 80 2.950 0.148 5.309 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.591 1.561 6.072 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.463 2.622 6.892 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.424 -0.535 7.329 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.700 1.825 9.440 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.532 -1.315 9.748 1.00 0.00 H new ATOM 1251 N TYR A 81 0.763 -0.586 6.211 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.422 -1.161 6.841 1.00 0.00 C ATOM 1253 C TYR A 81 -0.298 -1.192 8.358 1.00 0.00 C ATOM 1254 O TYR A 81 0.607 -1.823 8.909 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.687 -2.566 6.305 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.383 -2.569 4.960 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -2.665 -2.050 4.821 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -0.763 -3.094 3.833 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -3.305 -2.044 3.595 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -1.396 -3.093 2.603 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.669 -2.571 2.489 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.304 -2.569 1.269 1.00 0.00 O ATOM 0 H TYR A 81 1.101 -1.114 5.406 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.267 -0.519 6.590 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.260 -3.100 6.218 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.297 -3.113 7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.170 -1.644 5.685 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.230 -3.510 3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.298 -1.629 3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.897 -3.499 1.736 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.411 -3.491 0.954 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.207 -0.485 9.015 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.232 -0.413 10.471 1.00 0.00 C ATOM 1274 C GLN A 82 -1.432 -1.800 11.070 1.00 0.00 C ATOM 1275 O GLN A 82 -2.155 -2.630 10.521 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.336 0.532 10.942 1.00 0.00 C ATOM 1277 CG GLN A 82 -2.001 2.003 10.751 1.00 0.00 C ATOM 1278 CD GLN A 82 -3.137 2.922 11.158 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -3.924 2.493 12.129 1.00 0.00 O flip ATOM 1280 NE2 GLN A 82 -3.304 4.009 10.607 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.944 0.052 8.558 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.273 -0.022 10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.254 0.304 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.535 0.347 11.998 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.114 2.248 11.336 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.752 2.181 9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.674 4.305 9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.072 4.615 10.896 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.783 -2.043 12.194 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.872 -3.337 12.839 1.00 0.00 C ATOM 1291 C GLY A 83 0.248 -4.245 12.384 1.00 0.00 C ATOM 1292 O GLY A 83 0.810 -5.007 13.175 1.00 0.00 O ATOM 0 H GLY A 83 -0.192 -1.365 12.676 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.828 -3.212 13.921 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.834 -3.796 12.610 1.00 0.00 H new ATOM 1296 N TRP A 84 0.583 -4.136 11.106 1.00 0.00 N ATOM 1297 CA TRP A 84 1.642 -4.927 10.507 1.00 0.00 C ATOM 1298 C TRP A 84 2.958 -4.162 10.564 1.00 0.00 C ATOM 1299 O TRP A 84 3.022 -3.061 11.115 1.00 0.00 O ATOM 1300 CB TRP A 84 1.290 -5.264 9.057 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.007 -6.000 8.915 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.210 -5.475 8.532 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -0.237 -7.396 9.155 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.172 -6.456 8.519 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -1.600 -7.643 8.893 1.00 0.00 C ATOM 1306 CE3 TRP A 84 0.575 -8.462 9.559 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -2.167 -8.905 9.030 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 0.009 -9.715 9.692 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -1.349 -9.928 9.426 1.00 0.00 C ATOM 0 H TRP A 84 0.126 -3.495 10.457 1.00 0.00 H new ATOM 0 HA TRP A 84 1.750 -5.856 11.066 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.241 -4.341 8.479 1.00 0.00 H new ATOM 0 HB3 TRP A 84 2.090 -5.867 8.627 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.380 -4.439 8.277 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.152 -6.322 8.271 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.624 -8.308 9.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.215 -9.072 8.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.625 -10.545 10.007 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.760 -10.921 9.536 1.00 0.00 H new ATOM 1320 N LYS A 85 4.009 -4.741 10.004 1.00 0.00 N ATOM 1321 CA LYS A 85 5.307 -4.088 10.005 1.00 0.00 C ATOM 1322 C LYS A 85 5.677 -3.609 8.603 1.00 0.00 C ATOM 1323 O LYS A 85 4.835 -3.596 7.704 1.00 0.00 O ATOM 1324 CB LYS A 85 6.386 -5.008 10.584 1.00 0.00 C ATOM 1325 CG LYS A 85 6.711 -6.223 9.733 1.00 0.00 C ATOM 1326 CD LYS A 85 8.018 -6.861 10.182 1.00 0.00 C ATOM 1327 CE LYS A 85 7.875 -7.511 11.552 1.00 0.00 C ATOM 1328 NZ LYS A 85 9.192 -7.839 12.157 1.00 0.00 N ATOM 0 H LYS A 85 3.989 -5.653 9.547 1.00 0.00 H new ATOM 0 HA LYS A 85 5.243 -3.211 10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.298 -4.429 10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.064 -5.347 11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.902 -6.950 9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.784 -5.930 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.329 -7.609 9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.802 -6.104 10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.329 -6.840 12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.282 -8.421 11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.046 -8.279 13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.704 -8.500 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.749 -6.968 12.269 1.00 0.00 H new ATOM 1342 N SER A 86 6.938 -3.232 8.422 1.00 0.00 N ATOM 1343 CA SER A 86 7.434 -2.712 7.150 1.00 0.00 C ATOM 1344 C SER A 86 7.295 -3.714 5.992 1.00 0.00 C ATOM 1345 O SER A 86 7.447 -3.354 4.825 1.00 0.00 O ATOM 1346 CB SER A 86 8.894 -2.312 7.324 1.00 0.00 C ATOM 1347 OG SER A 86 9.369 -2.719 8.600 1.00 0.00 O ATOM 0 H SER A 86 7.647 -3.278 9.154 1.00 0.00 H new ATOM 0 HA SER A 86 6.823 -1.850 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.499 -2.769 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.997 -1.232 7.218 1.00 0.00 H new ATOM 0 HG SER A 86 9.103 -2.059 9.274 1.00 0.00 H new ATOM 1353 N SER A 87 6.996 -4.966 6.312 1.00 0.00 N ATOM 1354 CA SER A 87 6.834 -5.995 5.293 1.00 0.00 C ATOM 1355 C SER A 87 5.528 -5.796 4.520 1.00 0.00 C ATOM 1356 O SER A 87 5.257 -6.500 3.544 1.00 0.00 O ATOM 1357 CB SER A 87 6.849 -7.376 5.945 1.00 0.00 C ATOM 1358 OG SER A 87 7.876 -7.467 6.923 1.00 0.00 O ATOM 0 H SER A 87 6.861 -5.294 7.268 1.00 0.00 H new ATOM 0 HA SER A 87 7.663 -5.918 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.882 -7.574 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.999 -8.140 5.183 1.00 0.00 H new ATOM 0 HG SER A 87 7.864 -8.360 7.327 1.00 0.00 H new ATOM 1364 N TRP A 88 4.722 -4.837 4.965 1.00 0.00 N ATOM 1365 CA TRP A 88 3.450 -4.544 4.324 1.00 0.00 C ATOM 1366 C TRP A 88 3.439 -3.120 3.785 1.00 0.00 C ATOM 1367 O TRP A 88 2.383 -2.504 3.636 1.00 0.00 O ATOM 1368 CB TRP A 88 2.298 -4.761 5.309 1.00 0.00 C ATOM 1369 CG TRP A 88 2.095 -6.204 5.657 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.963 -7.011 6.331 1.00 0.00 C ATOM 1371 CD2 TRP A 88 0.957 -7.013 5.342 1.00 0.00 C ATOM 1372 NE1 TRP A 88 2.443 -8.274 6.448 1.00 0.00 N ATOM 1373 CE2 TRP A 88 1.206 -8.301 5.855 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -0.251 -6.776 4.680 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 0.293 -9.346 5.723 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -1.156 -7.815 4.552 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -0.880 -9.085 5.073 1.00 0.00 C ATOM 0 H TRP A 88 4.931 -4.248 5.771 1.00 0.00 H new ATOM 0 HA TRP A 88 3.318 -5.225 3.484 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.494 -4.196 6.220 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.379 -4.363 4.879 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.922 -6.700 6.717 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.901 -9.064 6.902 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.474 -5.800 4.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.505 -10.327 6.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.092 -7.643 4.041 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.609 -9.874 4.959 1.00 0.00 H new ATOM 1388 N ASP A 89 4.626 -2.599 3.515 1.00 0.00 N ATOM 1389 CA ASP A 89 4.767 -1.261 2.964 1.00 0.00 C ATOM 1390 C ASP A 89 4.609 -1.331 1.450 1.00 0.00 C ATOM 1391 O ASP A 89 5.440 -1.930 0.761 1.00 0.00 O ATOM 1392 CB ASP A 89 6.135 -0.670 3.322 1.00 0.00 C ATOM 1393 CG ASP A 89 6.194 -0.087 4.724 1.00 0.00 C ATOM 1394 OD1 ASP A 89 5.762 -0.765 5.686 1.00 0.00 O ATOM 1395 OD2 ASP A 89 6.699 1.047 4.877 1.00 0.00 O ATOM 0 H ASP A 89 5.509 -3.085 3.670 1.00 0.00 H new ATOM 0 HA ASP A 89 3.998 -0.615 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.894 -1.447 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.385 0.109 2.602 1.00 0.00 H new ATOM 1400 N GLU A 90 3.531 -0.759 0.934 1.00 0.00 N ATOM 1401 CA GLU A 90 3.282 -0.777 -0.505 1.00 0.00 C ATOM 1402 C GLU A 90 2.536 0.482 -0.943 1.00 0.00 C ATOM 1403 O GLU A 90 2.287 1.380 -0.136 1.00 0.00 O ATOM 1404 CB GLU A 90 2.511 -2.042 -0.912 1.00 0.00 C ATOM 1405 CG GLU A 90 2.774 -2.474 -2.351 1.00 0.00 C ATOM 1406 CD GLU A 90 2.348 -3.900 -2.631 1.00 0.00 C ATOM 1407 OE1 GLU A 90 3.216 -4.718 -3.003 1.00 0.00 O ATOM 1408 OE2 GLU A 90 1.150 -4.210 -2.490 1.00 0.00 O ATOM 0 H GLU A 90 2.818 -0.279 1.483 1.00 0.00 H new ATOM 0 HA GLU A 90 4.245 -0.792 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.783 -2.856 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.443 -1.865 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.244 -1.803 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.837 -2.370 -2.567 1.00 0.00 H new ATOM 1415 N TRP A 91 2.172 0.540 -2.215 1.00 0.00 N ATOM 1416 CA TRP A 91 1.492 1.701 -2.768 1.00 0.00 C ATOM 1417 C TRP A 91 0.003 1.463 -2.979 1.00 0.00 C ATOM 1418 O TRP A 91 -0.407 0.434 -3.516 1.00 0.00 O ATOM 1419 CB TRP A 91 2.087 2.068 -4.126 1.00 0.00 C ATOM 1420 CG TRP A 91 3.491 2.566 -4.104 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.620 1.828 -4.294 1.00 0.00 C ATOM 1422 CD2 TRP A 91 3.916 3.919 -3.921 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.723 2.641 -4.251 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.316 3.929 -4.021 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.252 5.124 -3.690 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.061 5.096 -3.898 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.993 6.282 -3.563 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.386 6.261 -3.673 1.00 0.00 C ATOM 0 H TRP A 91 2.338 -0.209 -2.887 1.00 0.00 H new ATOM 0 HA TRP A 91 1.628 2.502 -2.042 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.043 1.190 -4.771 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.458 2.831 -4.583 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.643 0.760 -4.455 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.689 2.337 -4.371 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.175 5.151 -3.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.138 5.082 -3.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.488 7.218 -3.376 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.939 7.184 -3.578 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.792 2.434 -2.563 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.232 2.400 -2.760 1.00 0.00 C ATOM 1441 C VAL A 92 -2.662 3.719 -3.393 1.00 0.00 C ATOM 1442 O VAL A 92 -2.155 4.771 -3.031 1.00 0.00 O ATOM 1443 CB VAL A 92 -3.017 2.170 -1.451 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.788 0.759 -0.926 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.643 3.210 -0.408 1.00 0.00 C ATOM 0 H VAL A 92 -0.458 3.268 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.461 1.555 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.080 2.279 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.350 0.618 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.123 0.035 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.726 0.612 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.208 3.028 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.576 3.144 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.876 4.205 -0.787 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.574 3.674 -4.340 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.991 4.903 -4.996 1.00 0.00 C ATOM 1457 C GLY A 93 -5.394 5.297 -4.615 1.00 0.00 C ATOM 1458 O GLY A 93 -6.068 4.539 -3.928 1.00 0.00 O ATOM 0 H GLY A 93 -4.033 2.825 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.304 5.707 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.931 4.776 -6.077 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.850 6.466 -5.082 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.214 6.955 -4.790 1.00 0.00 C ATOM 1464 C TYR A 94 -8.256 5.970 -5.291 1.00 0.00 C ATOM 1465 O TYR A 94 -9.440 6.059 -4.973 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.468 8.303 -5.462 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.832 9.474 -4.763 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -6.937 9.625 -3.390 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -6.138 10.436 -5.479 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -6.365 10.700 -2.747 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -5.561 11.515 -4.846 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.675 11.645 -3.480 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.097 12.720 -2.846 1.00 0.00 O ATOM 0 H TYR A 94 -5.298 7.095 -5.665 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.293 7.063 -3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.097 8.261 -6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.544 8.470 -5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.476 8.887 -2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.048 10.338 -6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.456 10.803 -1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.022 12.255 -5.418 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.650 13.288 -3.507 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.774 5.022 -6.058 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.604 3.992 -6.655 1.00 0.00 C ATOM 1485 C ASP A 95 -8.934 2.920 -5.631 1.00 0.00 C ATOM 1486 O ASP A 95 -9.955 2.244 -5.731 1.00 0.00 O ATOM 1487 CB ASP A 95 -7.879 3.374 -7.854 1.00 0.00 C ATOM 1488 CG ASP A 95 -8.685 2.287 -8.538 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -8.402 1.094 -8.306 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -9.596 2.622 -9.324 1.00 0.00 O ATOM 0 H ASP A 95 -6.784 4.939 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.536 4.442 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.650 4.158 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.928 2.959 -7.522 1.00 0.00 H new ATOM 1495 N ARG A 96 -8.080 2.792 -4.623 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.279 1.785 -3.595 1.00 0.00 C ATOM 1497 C ARG A 96 -7.965 2.342 -2.220 1.00 0.00 C ATOM 1498 O ARG A 96 -7.765 1.595 -1.273 1.00 0.00 O ATOM 1499 CB ARG A 96 -7.404 0.561 -3.875 1.00 0.00 C ATOM 1500 CG ARG A 96 -8.092 -0.495 -4.724 1.00 0.00 C ATOM 1501 CD ARG A 96 -7.098 -1.280 -5.557 1.00 0.00 C ATOM 1502 NE ARG A 96 -7.050 -0.798 -6.933 1.00 0.00 N ATOM 1503 CZ ARG A 96 -6.171 -1.210 -7.837 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -5.225 -2.083 -7.512 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -6.241 -0.737 -9.069 1.00 0.00 N ATOM 0 H ARG A 96 -7.249 3.370 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.327 1.487 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.493 0.883 -4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.104 0.115 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.645 -1.177 -4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.819 -0.017 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.107 -1.203 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.370 -2.335 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.736 -0.099 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.169 -2.443 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.554 -2.393 -8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.965 -0.063 -9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.571 -1.046 -9.773 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.918 3.655 -2.113 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.635 4.287 -0.843 1.00 0.00 C ATOM 1521 C ILE A 97 -8.798 5.185 -0.436 1.00 0.00 C ATOM 1522 O ILE A 97 -9.431 5.836 -1.275 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.299 5.079 -0.868 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.742 5.209 0.540 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.476 6.445 -1.481 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.533 6.116 0.656 1.00 0.00 C ATOM 0 H ILE A 97 -8.072 4.301 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.518 3.500 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.594 4.523 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.528 5.586 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.473 4.217 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.521 6.970 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.833 6.341 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.202 7.013 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.202 6.150 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.728 5.730 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.799 7.120 0.326 1.00 0.00 H new ATOM 1538 N ARG A 98 -9.098 5.172 0.845 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.179 5.953 1.410 1.00 0.00 C ATOM 1540 C ARG A 98 -9.651 6.696 2.631 1.00 0.00 C ATOM 1541 O ARG A 98 -8.471 6.596 2.946 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.347 5.040 1.802 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.715 3.999 0.747 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.742 4.526 -0.248 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.139 5.334 -1.311 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.809 5.800 -2.371 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -14.108 5.565 -2.506 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -12.182 6.513 -3.299 1.00 0.00 N ATOM 0 H ARG A 98 -8.593 4.612 1.532 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.545 6.668 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.095 4.526 2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.222 5.657 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.816 3.694 0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.111 3.110 1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.274 3.686 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.481 5.126 0.283 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.146 5.555 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.605 5.025 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.610 5.925 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.185 6.708 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.697 6.866 -4.105 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.516 7.399 3.339 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.105 8.153 4.489 1.00 0.00 C ATOM 1564 C ALA A 99 -10.486 7.381 5.716 1.00 0.00 C ATOM 1565 O ALA A 99 -11.614 6.900 5.840 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.757 9.523 4.509 1.00 0.00 C ATOM 0 H ALA A 99 -11.512 7.458 3.129 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.026 8.306 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.426 10.070 5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.473 10.074 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.841 9.410 4.537 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.542 7.237 6.596 1.00 0.00 N ATOM 1573 CA TYR A 100 -9.760 6.524 7.818 1.00 0.00 C ATOM 1574 C TYR A 100 -10.558 7.412 8.768 1.00 0.00 C ATOM 1575 O TYR A 100 -10.008 8.286 9.437 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.392 6.159 8.360 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.364 5.485 9.716 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.430 4.102 9.809 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.249 6.217 10.894 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.383 3.466 11.032 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.205 5.586 12.122 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.271 4.211 12.184 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.216 3.574 13.404 1.00 0.00 O ATOM 0 H TYR A 100 -8.599 7.610 6.487 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.339 5.611 7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.904 5.501 7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.793 7.068 8.418 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.520 3.513 8.908 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.193 7.295 10.847 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.434 2.389 11.085 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.119 6.167 13.028 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.721 2.733 13.312 1.00 0.00 H new ATOM 1593 N ASN A 101 -11.867 7.197 8.788 1.00 0.00 N ATOM 1594 CA ASN A 101 -12.760 7.976 9.629 1.00 0.00 C ATOM 1595 C ASN A 101 -14.026 7.189 9.937 1.00 0.00 C ATOM 1596 O ASN A 101 -14.217 6.085 9.429 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.104 9.321 8.969 1.00 0.00 C ATOM 1598 CG ASN A 101 -13.651 9.184 7.560 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -14.542 8.377 7.294 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -13.119 9.980 6.645 1.00 0.00 N ATOM 0 H ASN A 101 -12.334 6.485 8.227 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.246 8.184 10.568 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.837 9.842 9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.209 9.943 8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.446 9.938 5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.382 10.636 6.905 1.00 0.00 H new ATOM 1607 N GLU A 102 -14.906 7.792 10.719 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.151 7.152 11.156 1.00 0.00 C ATOM 1609 C GLU A 102 -17.059 6.707 10.003 1.00 0.00 C ATOM 1610 O GLU A 102 -17.925 5.858 10.196 1.00 0.00 O ATOM 1611 CB GLU A 102 -16.925 8.103 12.071 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.178 8.475 13.339 1.00 0.00 C ATOM 1613 CD GLU A 102 -15.920 7.286 14.238 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -16.855 6.851 14.942 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -14.774 6.792 14.261 1.00 0.00 O ATOM 0 H GLU A 102 -14.784 8.741 11.073 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.858 6.247 11.688 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.160 9.013 11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.874 7.640 12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.227 8.936 13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.752 9.222 13.888 1.00 0.00 H new ATOM 1622 N GLU A 103 -16.870 7.256 8.813 1.00 0.00 N ATOM 1623 CA GLU A 103 -17.723 6.893 7.687 1.00 0.00 C ATOM 1624 C GLU A 103 -17.243 5.638 6.965 1.00 0.00 C ATOM 1625 O GLU A 103 -18.012 4.700 6.753 1.00 0.00 O ATOM 1626 CB GLU A 103 -17.814 8.044 6.684 1.00 0.00 C ATOM 1627 CG GLU A 103 -18.656 7.703 5.460 1.00 0.00 C ATOM 1628 CD GLU A 103 -17.955 7.992 4.141 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -18.617 8.520 3.220 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -16.749 7.689 4.013 1.00 0.00 O ATOM 0 H GLU A 103 -16.147 7.943 8.601 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.707 6.684 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.239 8.917 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.809 8.318 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.924 6.647 5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.586 8.270 5.500 1.00 0.00 H new ATOM 1637 N ASN A 104 -15.967 5.601 6.621 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.430 4.483 5.862 1.00 0.00 C ATOM 1639 C ASN A 104 -15.099 3.310 6.761 1.00 0.00 C ATOM 1640 O ASN A 104 -15.210 2.149 6.357 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.200 4.919 5.081 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.353 4.646 3.604 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -13.851 3.654 3.088 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -15.068 5.517 2.916 1.00 0.00 N ATOM 0 H ASN A 104 -15.288 6.326 6.853 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.197 4.155 5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -14.027 5.984 5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.323 4.394 5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.220 5.377 1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -15.469 6.330 3.383 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.705 3.612 7.982 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.377 2.582 8.942 1.00 0.00 C ATOM 1653 C ILE A 105 -15.638 1.836 9.317 1.00 0.00 C ATOM 1654 O ILE A 105 -15.619 0.625 9.537 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.754 3.177 10.192 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.403 3.788 9.847 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.613 2.132 11.289 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -11.738 4.421 11.028 1.00 0.00 C ATOM 0 H ILE A 105 -14.605 4.565 8.332 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.654 1.903 8.489 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.412 3.959 10.572 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.752 3.014 9.440 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.536 4.536 9.066 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.164 2.589 12.171 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.597 1.738 11.545 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.977 1.319 10.938 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.779 4.840 10.724 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.373 5.215 11.421 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.577 3.670 11.801 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.736 2.579 9.371 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.025 2.006 9.691 1.00 0.00 C ATOM 1672 C ALA A 106 -18.324 0.882 8.719 1.00 0.00 C ATOM 1673 O ALA A 106 -18.911 -0.138 9.083 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.103 3.072 9.643 1.00 0.00 C ATOM 0 H ALA A 106 -16.753 3.584 9.196 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.006 1.602 10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.067 2.626 9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.873 3.855 10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.144 3.503 8.643 1.00 0.00 H new ATOM 1680 N MET A 107 -17.877 1.061 7.481 1.00 0.00 N ATOM 1681 CA MET A 107 -18.072 0.042 6.475 1.00 0.00 C ATOM 1682 C MET A 107 -17.092 -1.075 6.747 1.00 0.00 C ATOM 1683 O MET A 107 -17.479 -2.216 6.777 1.00 0.00 O ATOM 1684 CB MET A 107 -17.855 0.566 5.053 1.00 0.00 C ATOM 1685 CG MET A 107 -18.745 -0.110 4.018 1.00 0.00 C ATOM 1686 SD MET A 107 -18.359 0.384 2.326 1.00 0.00 S ATOM 1687 CE MET A 107 -18.399 2.169 2.482 1.00 0.00 C ATOM 0 H MET A 107 -17.384 1.894 7.159 1.00 0.00 H new ATOM 0 HA MET A 107 -19.105 -0.302 6.534 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.042 1.640 5.037 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.811 0.420 4.775 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.641 -1.191 4.108 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.787 0.128 4.232 1.00 0.00 H new ATOM 0 HE1 MET A 107 -18.606 2.615 1.509 1.00 0.00 H new ATOM 0 HE2 MET A 107 -19.180 2.455 3.186 1.00 0.00 H new ATOM 0 HE3 MET A 107 -17.435 2.524 2.846 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.824 -0.717 6.984 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.759 -1.682 7.260 1.00 0.00 C ATOM 1699 C LYS A 108 -15.177 -2.684 8.332 1.00 0.00 C ATOM 1700 O LYS A 108 -14.882 -3.872 8.228 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.491 -0.942 7.699 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.247 -1.812 7.705 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.772 -2.119 9.116 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.403 -1.513 9.397 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.850 -1.982 10.694 1.00 0.00 N ATOM 0 H LYS A 108 -15.510 0.253 6.989 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.560 -2.238 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.327 -0.094 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.645 -0.537 8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.455 -2.745 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.451 -1.309 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.495 -1.733 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -11.727 -3.199 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.716 -1.776 8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.481 -0.426 9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.985 -1.449 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.552 -1.831 11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.625 -2.995 10.629 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.856 -2.192 9.354 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.339 -3.048 10.441 1.00 0.00 C ATOM 1721 C LYS A 109 -17.324 -4.061 9.894 1.00 0.00 C ATOM 1722 O LYS A 109 -17.166 -5.268 10.077 1.00 0.00 O ATOM 1723 CB LYS A 109 -17.031 -2.224 11.532 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.223 -1.038 12.042 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.927 -1.476 12.703 1.00 0.00 C ATOM 1726 CE LYS A 109 -14.532 -0.534 13.831 1.00 0.00 C ATOM 1727 NZ LYS A 109 -15.357 -0.750 15.049 1.00 0.00 N ATOM 0 H LYS A 109 -16.089 -1.205 9.460 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.477 -3.554 10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.982 -1.859 11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.260 -2.879 12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.999 -0.368 11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.821 -0.472 12.756 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.040 -2.487 13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.131 -1.509 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.480 -0.681 14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.641 0.498 13.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.419 0.137 15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.312 -1.055 14.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.918 -1.484 15.640 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.333 -3.552 9.210 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.356 -4.384 8.602 1.00 0.00 C ATOM 1743 C ARG A 110 -18.751 -5.208 7.484 1.00 0.00 C ATOM 1744 O ARG A 110 -19.227 -6.275 7.155 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.469 -3.502 8.042 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.777 -4.236 7.804 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.949 -3.273 7.751 1.00 0.00 C ATOM 1748 NE ARG A 110 -24.220 -3.962 7.541 1.00 0.00 N ATOM 1749 CZ ARG A 110 -24.873 -4.634 8.488 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -24.369 -4.736 9.714 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -26.038 -5.206 8.206 1.00 0.00 N ATOM 0 H ARG A 110 -18.466 -2.552 9.060 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.769 -5.052 9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.647 -2.677 8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.134 -3.064 7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.719 -4.793 6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.938 -4.964 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -22.994 -2.707 8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.790 -2.554 6.947 1.00 0.00 H new ATOM 0 HE ARG A 110 -24.634 -3.926 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -23.475 -4.298 9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -24.876 -5.253 10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -26.430 -5.130 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -26.541 -5.721 8.928 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.687 -4.684 6.922 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.970 -5.308 5.836 1.00 0.00 C ATOM 1767 C LEU A 111 -16.190 -6.510 6.290 1.00 0.00 C ATOM 1768 O LEU A 111 -16.253 -7.559 5.662 1.00 0.00 O ATOM 1769 CB LEU A 111 -16.046 -4.284 5.201 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.677 -3.550 4.044 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.992 -2.220 3.794 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.678 -4.366 2.782 1.00 0.00 C ATOM 0 H LEU A 111 -17.287 -3.792 7.214 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.696 -5.661 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.740 -3.562 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.142 -4.785 4.855 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.714 -3.368 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.471 -1.716 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.072 -1.596 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.940 -2.390 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.143 -3.794 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.652 -4.611 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.240 -5.286 2.944 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.476 -6.380 7.389 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.703 -7.493 7.888 1.00 0.00 C ATOM 1786 C ALA A 112 -15.637 -8.554 8.414 1.00 0.00 C ATOM 1787 O ALA A 112 -15.239 -9.673 8.703 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.704 -7.051 8.946 1.00 0.00 C ATOM 0 H ALA A 112 -15.416 -5.527 7.945 1.00 0.00 H new ATOM 0 HA ALA A 112 -14.119 -7.913 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.141 -7.915 9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.018 -6.321 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.236 -6.599 9.783 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.891 -8.175 8.538 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.905 -9.084 8.977 1.00 0.00 C ATOM 1796 C ASN A 113 -18.612 -9.666 7.759 1.00 0.00 C ATOM 1797 O ASN A 113 -18.679 -10.872 7.597 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.899 -8.371 9.892 1.00 0.00 C ATOM 1799 CG ASN A 113 -18.464 -8.376 11.347 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -18.752 -9.314 12.091 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -17.770 -7.327 11.765 1.00 0.00 N ATOM 0 H ASN A 113 -17.226 -7.233 8.337 1.00 0.00 H new ATOM 0 HA ASN A 113 -17.449 -9.893 9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -19.021 -7.341 9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -19.874 -8.851 9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.455 -7.277 12.734 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.551 -6.570 11.118 1.00 0.00 H new ATOM 1808 N GLU A 114 -19.050 -8.800 6.851 1.00 0.00 N ATOM 1809 CA GLU A 114 -19.784 -9.227 5.664 1.00 0.00 C ATOM 1810 C GLU A 114 -18.889 -9.933 4.654 1.00 0.00 C ATOM 1811 O GLU A 114 -19.331 -10.874 3.993 1.00 0.00 O ATOM 1812 CB GLU A 114 -20.494 -8.041 5.006 1.00 0.00 C ATOM 1813 CG GLU A 114 -21.844 -7.711 5.634 1.00 0.00 C ATOM 1814 CD GLU A 114 -22.877 -7.284 4.609 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -22.986 -7.956 3.562 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -23.592 -6.286 4.851 1.00 0.00 O ATOM 0 H GLU A 114 -18.908 -7.792 6.915 1.00 0.00 H new ATOM 0 HA GLU A 114 -20.531 -9.947 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.850 -7.164 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.638 -8.257 3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -22.212 -8.584 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -21.714 -6.915 6.367 1.00 0.00 H new ATOM 1823 N ALA A 115 -17.629 -9.514 4.538 1.00 0.00 N ATOM 1824 CA ALA A 115 -16.731 -10.163 3.590 1.00 0.00 C ATOM 1825 C ALA A 115 -16.201 -11.453 4.183 1.00 0.00 C ATOM 1826 O ALA A 115 -15.428 -12.175 3.554 1.00 0.00 O ATOM 1827 CB ALA A 115 -15.586 -9.243 3.201 1.00 0.00 C ATOM 0 H ALA A 115 -17.217 -8.749 5.073 1.00 0.00 H new ATOM 0 HA ALA A 115 -17.293 -10.393 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.933 -9.754 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.986 -8.340 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.017 -8.974 4.091 1.00 0.00 H new ATOM 1833 N LYS A 116 -16.655 -11.744 5.393 1.00 0.00 N ATOM 1834 CA LYS A 116 -16.226 -12.923 6.110 1.00 0.00 C ATOM 1835 C LYS A 116 -17.378 -13.915 6.305 1.00 0.00 C ATOM 1836 O LYS A 116 -17.147 -15.102 6.545 1.00 0.00 O ATOM 1837 CB LYS A 116 -15.644 -12.488 7.455 1.00 0.00 C ATOM 1838 CG LYS A 116 -16.573 -12.709 8.640 1.00 0.00 C ATOM 1839 CD LYS A 116 -15.848 -12.568 9.966 1.00 0.00 C ATOM 1840 CE LYS A 116 -16.790 -12.085 11.058 1.00 0.00 C ATOM 1841 NZ LYS A 116 -17.920 -13.026 11.280 1.00 0.00 N ATOM 0 H LYS A 116 -17.328 -11.169 5.899 1.00 0.00 H new ATOM 0 HA LYS A 116 -15.464 -13.440 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.716 -13.033 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.388 -11.430 7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.392 -11.991 8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.016 -13.703 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -15.417 -13.527 10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.021 -11.866 9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.234 -11.962 11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.183 -11.104 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.408 -12.780 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.588 -12.959 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -17.555 -13.998 11.344 1.00 0.00 H new ATOM 1855 N GLU A 117 -18.615 -13.432 6.206 1.00 0.00 N ATOM 1856 CA GLU A 117 -19.781 -14.292 6.385 1.00 0.00 C ATOM 1857 C GLU A 117 -19.924 -15.257 5.216 1.00 0.00 C ATOM 1858 O GLU A 117 -20.038 -16.468 5.412 1.00 0.00 O ATOM 1859 CB GLU A 117 -21.063 -13.464 6.548 1.00 0.00 C ATOM 1860 CG GLU A 117 -21.011 -12.453 7.691 1.00 0.00 C ATOM 1861 CD GLU A 117 -20.708 -13.083 9.042 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -19.579 -13.579 9.239 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -21.594 -13.073 9.921 1.00 0.00 O ATOM 0 H GLU A 117 -18.834 -12.456 6.004 1.00 0.00 H new ATOM 0 HA GLU A 117 -19.629 -14.868 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -21.261 -12.933 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -21.901 -14.141 6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -20.251 -11.704 7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -21.966 -11.931 7.748 1.00 0.00 H new ATOM 1870 N ALA A 118 -19.914 -14.704 4.005 1.00 0.00 N ATOM 1871 CA ALA A 118 -20.041 -15.492 2.778 1.00 0.00 C ATOM 1872 C ALA A 118 -21.329 -16.316 2.779 1.00 0.00 C ATOM 1873 O ALA A 118 -21.382 -17.414 2.224 1.00 0.00 O ATOM 1874 CB ALA A 118 -18.825 -16.394 2.591 1.00 0.00 C ATOM 0 H ALA A 118 -19.818 -13.701 3.845 1.00 0.00 H new ATOM 0 HA ALA A 118 -20.090 -14.798 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -18.938 -16.972 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.925 -15.783 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -18.742 -17.073 3.439 1.00 0.00 H new ATOM 1880 N LYS A 119 -22.365 -15.777 3.414 1.00 0.00 N ATOM 1881 CA LYS A 119 -23.656 -16.449 3.496 1.00 0.00 C ATOM 1882 C LYS A 119 -24.775 -15.428 3.646 1.00 0.00 C ATOM 1883 O LYS A 119 -25.873 -15.756 4.101 1.00 0.00 O ATOM 1884 CB LYS A 119 -23.674 -17.426 4.674 1.00 0.00 C ATOM 1885 CG LYS A 119 -23.557 -18.888 4.272 1.00 0.00 C ATOM 1886 CD LYS A 119 -23.483 -19.785 5.495 1.00 0.00 C ATOM 1887 CE LYS A 119 -23.568 -21.256 5.126 1.00 0.00 C ATOM 1888 NZ LYS A 119 -22.409 -21.702 4.309 1.00 0.00 N ATOM 0 H LYS A 119 -22.334 -14.871 3.882 1.00 0.00 H new ATOM 0 HA LYS A 119 -23.813 -17.009 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -22.854 -17.179 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -24.600 -17.287 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -24.414 -19.170 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -22.667 -19.030 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -22.550 -19.598 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -24.295 -19.535 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -23.619 -21.854 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -24.490 -21.437 4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -22.504 -22.716 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -22.383 -21.163 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -21.528 -21.540 4.838 1.00 0.00 H new ATOM 1902 N LYS A 120 -24.472 -14.197 3.236 1.00 0.00 N ATOM 1903 CA LYS A 120 -25.405 -13.072 3.299 1.00 0.00 C ATOM 1904 C LYS A 120 -25.639 -12.611 4.737 1.00 0.00 C ATOM 1905 O LYS A 120 -25.177 -11.504 5.080 1.00 0.00 O ATOM 1906 CB LYS A 120 -26.729 -13.405 2.603 1.00 0.00 C ATOM 1907 CG LYS A 120 -26.653 -13.288 1.089 1.00 0.00 C ATOM 1908 CD LYS A 120 -26.640 -11.831 0.655 1.00 0.00 C ATOM 1909 CE LYS A 120 -25.914 -11.636 -0.669 1.00 0.00 C ATOM 1910 NZ LYS A 120 -26.465 -12.495 -1.750 1.00 0.00 N ATOM 1911 OXT LYS A 120 -26.274 -13.350 5.520 1.00 0.00 O ATOM 0 H LYS A 120 -23.562 -13.950 2.847 1.00 0.00 H new ATOM 0 HA LYS A 120 -24.945 -12.243 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -27.027 -14.419 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -27.506 -12.737 2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -25.754 -13.787 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -27.504 -13.798 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -27.665 -11.471 0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -26.158 -11.228 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -25.985 -10.590 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -24.855 -11.859 -0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -26.045 -12.219 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -26.239 -13.491 -1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -27.497 -12.377 -1.795 1.00 0.00 H new TER 1925 LYS A 120