USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 879 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 74 MET CE :methyl -130:sc= -1.86 (180deg=-2.29!) USER MOD Set 1.2: A 78 CYS SG : rot -70:sc= -0.149 USER MOD Single : A 1 GLU N :NH3+ -112:sc= 0.0234 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.016) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 6 CYS SG : rot -24:sc= 0.235 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -5.43! C(o=-5.4!,f=-4.7!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -97:sc= 0.213 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -1.34 (180deg=-1.61) USER MOD Single : A 37 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.55) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.8) USER MOD Single : A 47 MET CE :methyl 157:sc= -0.024 (180deg=-0.509) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 150:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00293 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= -0.0403 (180deg=-0.149) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 33:sc= -1.36! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.00948 X(o=0.0095,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.405) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.9!) USER MOD Single : A 86 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-3.4!) USER MOD Single : A 91 MET CE :methyl 179:sc= -2.16 (180deg=-2.23) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc=-0.00525 (180deg=-0.125) USER MOD Single : A 96 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= -0.392 (180deg=-0.392) USER MOD Single : A 108 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 172.395 -18.074 11.696 1.00 0.00 N ATOM 2 CA GLU A 1 172.838 -17.913 10.284 1.00 0.00 C ATOM 3 C GLU A 1 173.520 -16.565 10.070 1.00 0.00 C ATOM 4 O GLU A 1 173.215 -15.590 10.760 1.00 0.00 O ATOM 5 CB GLU A 1 171.616 -18.032 9.366 1.00 0.00 C ATOM 6 CG GLU A 1 171.927 -18.632 8.003 1.00 0.00 C ATOM 7 CD GLU A 1 171.052 -19.828 7.679 1.00 0.00 C ATOM 8 OE1 GLU A 1 169.812 -19.667 7.648 1.00 0.00 O ATOM 9 OE2 GLU A 1 171.605 -20.925 7.457 1.00 0.00 O ATOM 0 H1 GLU A 1 172.960 -18.817 12.155 1.00 0.00 H new ATOM 0 H2 GLU A 1 172.525 -17.176 12.205 1.00 0.00 H new ATOM 0 H3 GLU A 1 171.390 -18.342 11.716 1.00 0.00 H new ATOM 0 HA GLU A 1 173.562 -18.693 10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.862 -18.645 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 1 171.181 -17.042 9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 1 171.793 -17.870 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 1 172.974 -18.934 7.973 1.00 0.00 H new ATOM 18 N GLN A 2 174.436 -16.517 9.105 1.00 0.00 N ATOM 19 CA GLN A 2 175.157 -15.285 8.791 1.00 0.00 C ATOM 20 C GLN A 2 174.190 -14.193 8.331 1.00 0.00 C ATOM 21 O GLN A 2 174.378 -13.017 8.643 1.00 0.00 O ATOM 22 CB GLN A 2 176.212 -15.539 7.712 1.00 0.00 C ATOM 23 CG GLN A 2 177.200 -16.640 8.072 1.00 0.00 C ATOM 24 CD GLN A 2 177.567 -17.509 6.883 1.00 0.00 C ATOM 25 OE1 GLN A 2 178.743 -17.660 6.550 1.00 0.00 O ATOM 26 NE2 GLN A 2 176.560 -18.089 6.238 1.00 0.00 N ATOM 0 H GLN A 2 174.697 -17.316 8.527 1.00 0.00 H new ATOM 0 HA GLN A 2 175.657 -14.947 9.698 1.00 0.00 H new ATOM 0 HB2 GLN A 2 175.711 -15.803 6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 2 176.761 -14.616 7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 2 178.105 -16.191 8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 2 176.772 -17.265 8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 2 175.600 -17.936 6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 2 176.747 -18.687 5.433 1.00 0.00 H new ATOM 35 N LEU A 3 173.149 -14.594 7.596 1.00 0.00 N ATOM 36 CA LEU A 3 172.146 -13.653 7.100 1.00 0.00 C ATOM 37 C LEU A 3 171.394 -12.987 8.254 1.00 0.00 C ATOM 38 O LEU A 3 171.073 -11.800 8.190 1.00 0.00 O ATOM 39 CB LEU A 3 171.154 -14.365 6.174 1.00 0.00 C ATOM 40 CG LEU A 3 171.528 -14.355 4.690 1.00 0.00 C ATOM 41 CD1 LEU A 3 171.242 -15.710 4.056 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.774 -13.253 3.959 1.00 0.00 C ATOM 0 H LEU A 3 172.980 -15.565 7.332 1.00 0.00 H new ATOM 0 HA LEU A 3 172.667 -12.879 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 3 171.055 -15.400 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 3 170.175 -13.899 6.289 1.00 0.00 H new ATOM 0 HG LEU A 3 172.596 -14.157 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 3 171.514 -15.683 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 3 171.826 -16.479 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 3 170.181 -15.939 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 3 171.052 -13.260 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.701 -13.422 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 3 171.029 -12.287 4.395 1.00 0.00 H new ATOM 54 N LYS A 4 171.117 -13.755 9.310 1.00 0.00 N ATOM 55 CA LYS A 4 170.408 -13.226 10.474 1.00 0.00 C ATOM 56 C LYS A 4 171.311 -12.295 11.283 1.00 0.00 C ATOM 57 O LYS A 4 170.873 -11.239 11.741 1.00 0.00 O ATOM 58 CB LYS A 4 169.902 -14.365 11.364 1.00 0.00 C ATOM 59 CG LYS A 4 168.687 -15.086 10.800 1.00 0.00 C ATOM 60 CD LYS A 4 168.483 -16.442 11.459 1.00 0.00 C ATOM 61 CE LYS A 4 167.355 -17.220 10.796 1.00 0.00 C ATOM 62 NZ LYS A 4 167.763 -18.609 10.439 1.00 0.00 N ATOM 0 H LYS A 4 171.372 -14.740 9.382 1.00 0.00 H new ATOM 0 HA LYS A 4 169.552 -12.656 10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 4 170.707 -15.086 11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 4 169.652 -13.964 12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 4 167.798 -14.472 10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 4 168.809 -15.218 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 4 169.406 -17.018 11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 4 168.259 -16.304 12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 4 166.497 -17.256 11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 4 167.034 -16.695 9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 166.964 -19.101 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 168.565 -18.576 9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 168.045 -19.120 11.300 1.00 0.00 H new ATOM 76 N CYS A 5 172.574 -12.694 11.455 1.00 0.00 N ATOM 77 CA CYS A 5 173.540 -11.895 12.210 1.00 0.00 C ATOM 78 C CYS A 5 173.780 -10.541 11.542 1.00 0.00 C ATOM 79 O CYS A 5 173.727 -9.501 12.200 1.00 0.00 O ATOM 80 CB CYS A 5 174.864 -12.648 12.352 1.00 0.00 C ATOM 81 SG CYS A 5 175.528 -12.667 14.034 1.00 0.00 S ATOM 0 H CYS A 5 172.950 -13.565 11.081 1.00 0.00 H new ATOM 0 HA CYS A 5 173.122 -11.719 13.201 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.722 -13.676 12.017 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.600 -12.195 11.688 1.00 0.00 H new ATOM 0 HG CYS A 5 176.647 -13.329 14.051 1.00 0.00 H new ATOM 87 N CYS A 6 174.043 -10.559 10.232 1.00 0.00 N ATOM 88 CA CYS A 6 174.288 -9.329 9.479 1.00 0.00 C ATOM 89 C CYS A 6 173.059 -8.419 9.500 1.00 0.00 C ATOM 90 O CYS A 6 173.189 -7.195 9.569 1.00 0.00 O ATOM 91 CB CYS A 6 174.701 -9.643 8.035 1.00 0.00 C ATOM 92 SG CYS A 6 173.376 -10.300 6.996 1.00 0.00 S ATOM 0 H CYS A 6 174.091 -11.411 9.673 1.00 0.00 H new ATOM 0 HA CYS A 6 175.110 -8.801 9.962 1.00 0.00 H new ATOM 0 HB2 CYS A 6 175.087 -8.733 7.576 1.00 0.00 H new ATOM 0 HB3 CYS A 6 175.520 -10.362 8.054 1.00 0.00 H new ATOM 0 HG CYS A 6 172.469 -10.851 7.747 1.00 0.00 H new ATOM 98 N SER A 7 171.867 -9.025 9.448 1.00 0.00 N ATOM 99 CA SER A 7 170.611 -8.271 9.470 1.00 0.00 C ATOM 100 C SER A 7 170.551 -7.343 10.685 1.00 0.00 C ATOM 101 O SER A 7 170.004 -6.241 10.605 1.00 0.00 O ATOM 102 CB SER A 7 169.411 -9.224 9.486 1.00 0.00 C ATOM 103 OG SER A 7 168.213 -8.548 9.141 1.00 0.00 O ATOM 0 H SER A 7 171.747 -10.036 9.390 1.00 0.00 H new ATOM 0 HA SER A 7 170.571 -7.664 8.566 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.584 -10.042 8.787 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.309 -9.667 10.476 1.00 0.00 H new ATOM 0 HG SER A 7 167.464 -9.180 9.158 1.00 0.00 H new ATOM 109 N GLY A 8 171.123 -7.792 11.807 1.00 0.00 N ATOM 110 CA GLY A 8 171.131 -6.988 13.019 1.00 0.00 C ATOM 111 C GLY A 8 171.833 -5.655 12.830 1.00 0.00 C ATOM 112 O GLY A 8 171.368 -4.632 13.331 1.00 0.00 O ATOM 0 H GLY A 8 171.580 -8.699 11.895 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.105 -6.812 13.341 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.624 -7.544 13.816 1.00 0.00 H new ATOM 116 N ILE A 9 172.946 -5.663 12.094 1.00 0.00 N ATOM 117 CA ILE A 9 173.699 -4.438 11.833 1.00 0.00 C ATOM 118 C ILE A 9 172.860 -3.461 11.012 1.00 0.00 C ATOM 119 O ILE A 9 172.880 -2.253 11.255 1.00 0.00 O ATOM 120 CB ILE A 9 175.028 -4.718 11.092 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.821 -5.826 11.794 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.862 -3.447 11.005 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.976 -6.358 10.971 1.00 0.00 C ATOM 0 H ILE A 9 173.343 -6.501 11.670 1.00 0.00 H new ATOM 0 HA ILE A 9 173.937 -3.999 12.802 1.00 0.00 H new ATOM 0 HB ILE A 9 174.791 -5.054 10.082 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.205 -5.443 12.740 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.147 -6.648 12.033 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.794 -3.659 10.481 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.306 -2.683 10.461 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.084 -3.088 12.010 1.00 0.00 H new ATOM 0 HD11 ILE A 9 177.492 -7.139 11.530 1.00 0.00 H new ATOM 0 HD12 ILE A 9 176.597 -6.771 10.036 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.672 -5.547 10.754 1.00 0.00 H new ATOM 135 N LEU A 10 172.110 -3.997 10.048 1.00 0.00 N ATOM 136 CA LEU A 10 171.245 -3.181 9.200 1.00 0.00 C ATOM 137 C LEU A 10 170.155 -2.506 10.033 1.00 0.00 C ATOM 138 O LEU A 10 169.759 -1.374 9.749 1.00 0.00 O ATOM 139 CB LEU A 10 170.611 -4.033 8.094 1.00 0.00 C ATOM 140 CG LEU A 10 171.387 -4.070 6.772 1.00 0.00 C ATOM 141 CD1 LEU A 10 171.363 -5.470 6.174 1.00 0.00 C ATOM 142 CD2 LEU A 10 170.815 -3.057 5.789 1.00 0.00 C ATOM 0 H LEU A 10 172.085 -4.994 9.836 1.00 0.00 H new ATOM 0 HA LEU A 10 171.858 -2.408 8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.502 -5.053 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.607 -3.656 7.897 1.00 0.00 H new ATOM 0 HG LEU A 10 172.424 -3.804 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 10 171.919 -5.475 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 10 171.821 -6.171 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 10 170.331 -5.767 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 10 171.378 -3.097 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 10 169.769 -3.292 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 10 170.888 -2.056 6.214 1.00 0.00 H new ATOM 154 N LYS A 11 169.669 -3.210 11.061 1.00 0.00 N ATOM 155 CA LYS A 11 168.621 -2.681 11.935 1.00 0.00 C ATOM 156 C LYS A 11 169.049 -1.367 12.596 1.00 0.00 C ATOM 157 O LYS A 11 168.206 -0.519 12.886 1.00 0.00 O ATOM 158 CB LYS A 11 168.248 -3.708 13.010 1.00 0.00 C ATOM 159 CG LYS A 11 166.969 -4.473 12.705 1.00 0.00 C ATOM 160 CD LYS A 11 167.161 -5.973 12.868 1.00 0.00 C ATOM 161 CE LYS A 11 166.287 -6.754 11.898 1.00 0.00 C ATOM 162 NZ LYS A 11 165.744 -8.001 12.509 1.00 0.00 N ATOM 0 H LYS A 11 169.986 -4.148 11.307 1.00 0.00 H new ATOM 0 HA LYS A 11 167.748 -2.479 11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 11 169.068 -4.418 13.122 1.00 0.00 H new ATOM 0 HB3 LYS A 11 168.136 -3.196 13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.174 -4.133 13.369 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.648 -4.255 11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 11 168.208 -6.227 12.702 1.00 0.00 H new ATOM 0 HD3 LYS A 11 166.921 -6.263 13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 11 165.461 -6.124 11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 11 166.868 -7.009 11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 165.155 -8.501 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 166.531 -8.615 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 165.167 -7.758 13.340 1.00 0.00 H new ATOM 176 N GLU A 12 170.355 -1.196 12.824 1.00 0.00 N ATOM 177 CA GLU A 12 170.872 0.030 13.441 1.00 0.00 C ATOM 178 C GLU A 12 170.502 1.259 12.613 1.00 0.00 C ATOM 179 O GLU A 12 170.206 2.319 13.168 1.00 0.00 O ATOM 180 CB GLU A 12 172.392 -0.050 13.612 1.00 0.00 C ATOM 181 CG GLU A 12 172.827 -0.590 14.966 1.00 0.00 C ATOM 182 CD GLU A 12 172.637 -2.090 15.082 1.00 0.00 C ATOM 183 OE1 GLU A 12 171.522 -2.522 15.442 1.00 0.00 O ATOM 184 OE2 GLU A 12 173.605 -2.832 14.811 1.00 0.00 O ATOM 0 H GLU A 12 171.070 -1.886 12.592 1.00 0.00 H new ATOM 0 HA GLU A 12 170.412 0.127 14.425 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.804 -0.685 12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 12 172.817 0.944 13.473 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.877 -0.346 15.130 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.258 -0.093 15.752 1.00 0.00 H new ATOM 191 N MET A 13 170.509 1.112 11.286 1.00 0.00 N ATOM 192 CA MET A 13 170.157 2.214 10.393 1.00 0.00 C ATOM 193 C MET A 13 168.738 2.711 10.680 1.00 0.00 C ATOM 194 O MET A 13 168.472 3.911 10.622 1.00 0.00 O ATOM 195 CB MET A 13 170.271 1.781 8.930 1.00 0.00 C ATOM 196 CG MET A 13 171.697 1.781 8.397 1.00 0.00 C ATOM 197 SD MET A 13 172.034 0.378 7.316 1.00 0.00 S ATOM 198 CE MET A 13 173.805 0.207 7.520 1.00 0.00 C ATOM 0 H MET A 13 170.754 0.244 10.810 1.00 0.00 H new ATOM 0 HA MET A 13 170.857 3.030 10.574 1.00 0.00 H new ATOM 0 HB2 MET A 13 169.854 0.780 8.824 1.00 0.00 H new ATOM 0 HB3 MET A 13 169.664 2.446 8.316 1.00 0.00 H new ATOM 0 HG2 MET A 13 171.877 2.707 7.851 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.394 1.765 9.235 1.00 0.00 H new ATOM 0 HE1 MET A 13 174.163 -0.623 6.911 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.298 1.127 7.205 1.00 0.00 H new ATOM 0 HE3 MET A 13 174.033 0.013 8.568 1.00 0.00 H new ATOM 208 N PHE A 14 167.833 1.781 11.001 1.00 0.00 N ATOM 209 CA PHE A 14 166.445 2.128 11.309 1.00 0.00 C ATOM 210 C PHE A 14 166.174 2.073 12.821 1.00 0.00 C ATOM 211 O PHE A 14 165.022 2.158 13.253 1.00 0.00 O ATOM 212 CB PHE A 14 165.488 1.186 10.573 1.00 0.00 C ATOM 213 CG PHE A 14 164.342 1.894 9.905 1.00 0.00 C ATOM 214 CD1 PHE A 14 163.209 2.241 10.625 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.397 2.210 8.557 1.00 0.00 C ATOM 216 CE1 PHE A 14 162.153 2.888 10.012 1.00 0.00 C ATOM 217 CE2 PHE A 14 163.344 2.858 7.939 1.00 0.00 C ATOM 218 CZ PHE A 14 162.221 3.197 8.667 1.00 0.00 C ATOM 0 H PHE A 14 168.038 0.783 11.054 1.00 0.00 H new ATOM 0 HA PHE A 14 166.276 3.151 10.972 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.047 0.628 9.822 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.092 0.458 11.281 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.151 2.003 11.677 1.00 0.00 H new ATOM 0 HD2 PHE A 14 165.273 1.947 7.982 1.00 0.00 H new ATOM 0 HE1 PHE A 14 161.275 3.152 10.584 1.00 0.00 H new ATOM 0 HE2 PHE A 14 163.400 3.099 6.888 1.00 0.00 H new ATOM 0 HZ PHE A 14 161.397 3.703 8.186 1.00 0.00 H new ATOM 228 N ALA A 15 167.235 1.940 13.623 1.00 0.00 N ATOM 229 CA ALA A 15 167.101 1.884 15.080 1.00 0.00 C ATOM 230 C ALA A 15 167.517 3.205 15.734 1.00 0.00 C ATOM 231 O ALA A 15 167.770 3.257 16.940 1.00 0.00 O ATOM 232 CB ALA A 15 167.928 0.733 15.640 1.00 0.00 C ATOM 0 H ALA A 15 168.195 1.869 13.287 1.00 0.00 H new ATOM 0 HA ALA A 15 166.050 1.715 15.313 1.00 0.00 H new ATOM 0 HB1 ALA A 15 167.820 0.701 16.724 1.00 0.00 H new ATOM 0 HB2 ALA A 15 167.579 -0.207 15.213 1.00 0.00 H new ATOM 0 HB3 ALA A 15 168.977 0.880 15.384 1.00 0.00 H new ATOM 238 N LYS A 16 167.594 4.270 14.929 1.00 0.00 N ATOM 239 CA LYS A 16 167.986 5.596 15.415 1.00 0.00 C ATOM 240 C LYS A 16 169.448 5.610 15.873 1.00 0.00 C ATOM 241 O LYS A 16 169.826 6.393 16.747 1.00 0.00 O ATOM 242 CB LYS A 16 167.066 6.049 16.560 1.00 0.00 C ATOM 243 CG LYS A 16 166.401 7.398 16.318 1.00 0.00 C ATOM 244 CD LYS A 16 167.376 8.552 16.518 1.00 0.00 C ATOM 245 CE LYS A 16 167.259 9.153 17.913 1.00 0.00 C ATOM 246 NZ LYS A 16 166.121 10.111 18.019 1.00 0.00 N ATOM 0 H LYS A 16 167.388 4.238 13.931 1.00 0.00 H new ATOM 0 HA LYS A 16 167.883 6.296 14.586 1.00 0.00 H new ATOM 0 HB2 LYS A 16 166.293 5.296 16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 16 167.646 6.101 17.481 1.00 0.00 H new ATOM 0 HG2 LYS A 16 166.002 7.430 15.304 1.00 0.00 H new ATOM 0 HG3 LYS A 16 165.556 7.514 16.997 1.00 0.00 H new ATOM 0 HD2 LYS A 16 168.395 8.199 16.358 1.00 0.00 H new ATOM 0 HD3 LYS A 16 167.185 9.323 15.772 1.00 0.00 H new ATOM 0 HE2 LYS A 16 167.128 8.353 18.642 1.00 0.00 H new ATOM 0 HE3 LYS A 16 168.188 9.665 18.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 166.079 10.495 18.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 166.258 10.889 17.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 165.231 9.618 17.804 1.00 0.00 H new ATOM 260 N LYS A 17 170.268 4.746 15.273 1.00 0.00 N ATOM 261 CA LYS A 17 171.686 4.666 15.618 1.00 0.00 C ATOM 262 C LYS A 17 172.565 5.060 14.431 1.00 0.00 C ATOM 263 O LYS A 17 173.612 5.685 14.607 1.00 0.00 O ATOM 264 CB LYS A 17 172.041 3.257 16.091 1.00 0.00 C ATOM 265 CG LYS A 17 171.377 2.872 17.404 1.00 0.00 C ATOM 266 CD LYS A 17 171.596 1.403 17.729 1.00 0.00 C ATOM 267 CE LYS A 17 171.755 1.177 19.224 1.00 0.00 C ATOM 268 NZ LYS A 17 173.111 1.565 19.707 1.00 0.00 N ATOM 0 H LYS A 17 169.974 4.093 14.547 1.00 0.00 H new ATOM 0 HA LYS A 17 171.874 5.369 16.429 1.00 0.00 H new ATOM 0 HB2 LYS A 17 171.751 2.541 15.323 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.123 3.182 16.204 1.00 0.00 H new ATOM 0 HG2 LYS A 17 171.777 3.488 18.210 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.308 3.078 17.347 1.00 0.00 H new ATOM 0 HD2 LYS A 17 170.753 0.819 17.360 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.484 1.044 17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.001 1.753 19.760 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.576 0.127 19.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 173.177 1.395 20.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 173.830 0.997 19.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 173.273 2.574 19.513 1.00 0.00 H new ATOM 282 N HIS A 18 172.128 4.701 13.224 1.00 0.00 N ATOM 283 CA HIS A 18 172.866 5.025 12.007 1.00 0.00 C ATOM 284 C HIS A 18 171.926 5.570 10.927 1.00 0.00 C ATOM 285 O HIS A 18 172.202 5.447 9.731 1.00 0.00 O ATOM 286 CB HIS A 18 173.603 3.788 11.488 1.00 0.00 C ATOM 287 CG HIS A 18 174.912 4.108 10.837 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.056 4.397 11.549 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.254 4.185 9.531 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.047 4.638 10.708 1.00 0.00 C ATOM 291 NE2 HIS A 18 176.586 4.515 9.476 1.00 0.00 N ATOM 0 H HIS A 18 171.263 4.184 13.065 1.00 0.00 H new ATOM 0 HA HIS A 18 173.596 5.797 12.248 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.776 3.102 12.317 1.00 0.00 H new ATOM 0 HB3 HIS A 18 172.966 3.268 10.772 1.00 0.00 H new ATOM 0 HD1 HIS A 18 176.127 4.421 12.566 1.00 0.00 H new ATOM 0 HD2 HIS A 18 174.601 4.018 8.687 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.060 4.892 10.981 1.00 0.00 H new ATOM 300 N ALA A 19 170.819 6.180 11.356 1.00 0.00 N ATOM 301 CA ALA A 19 169.843 6.747 10.429 1.00 0.00 C ATOM 302 C ALA A 19 170.287 8.117 9.930 1.00 0.00 C ATOM 303 O ALA A 19 169.997 8.493 8.797 1.00 0.00 O ATOM 304 CB ALA A 19 168.475 6.847 11.088 1.00 0.00 C ATOM 0 H ALA A 19 170.578 6.293 12.341 1.00 0.00 H new ATOM 0 HA ALA A 19 169.773 6.079 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.761 7.272 10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.142 5.853 11.387 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.541 7.488 11.967 1.00 0.00 H new ATOM 310 N ALA A 20 170.998 8.859 10.782 1.00 0.00 N ATOM 311 CA ALA A 20 171.485 10.189 10.416 1.00 0.00 C ATOM 312 C ALA A 20 172.466 10.116 9.248 1.00 0.00 C ATOM 313 O ALA A 20 172.446 10.965 8.357 1.00 0.00 O ATOM 314 CB ALA A 20 172.135 10.870 11.613 1.00 0.00 C ATOM 0 H ALA A 20 171.248 8.563 11.725 1.00 0.00 H new ATOM 0 HA ALA A 20 170.627 10.783 10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.491 11.858 11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.404 10.970 12.416 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.976 10.270 11.961 1.00 0.00 H new ATOM 320 N TYR A 21 173.320 9.093 9.256 1.00 0.00 N ATOM 321 CA TYR A 21 174.304 8.909 8.194 1.00 0.00 C ATOM 322 C TYR A 21 173.696 8.195 6.984 1.00 0.00 C ATOM 323 O TYR A 21 174.095 8.447 5.846 1.00 0.00 O ATOM 324 CB TYR A 21 175.510 8.125 8.715 1.00 0.00 C ATOM 325 CG TYR A 21 176.573 9.001 9.338 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.409 9.530 10.614 1.00 0.00 C ATOM 327 CD2 TYR A 21 177.741 9.304 8.649 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.378 10.334 11.183 1.00 0.00 C ATOM 329 CE2 TYR A 21 178.714 10.106 9.212 1.00 0.00 C ATOM 330 CZ TYR A 21 178.528 10.619 10.479 1.00 0.00 C ATOM 331 OH TYR A 21 179.497 11.418 11.043 1.00 0.00 O ATOM 0 H TYR A 21 173.349 8.381 9.986 1.00 0.00 H new ATOM 0 HA TYR A 21 174.632 9.897 7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.170 7.398 9.453 1.00 0.00 H new ATOM 0 HB3 TYR A 21 175.950 7.562 7.892 1.00 0.00 H new ATOM 0 HD1 TYR A 21 175.509 9.309 11.169 1.00 0.00 H new ATOM 0 HD2 TYR A 21 177.890 8.906 7.656 1.00 0.00 H new ATOM 0 HE1 TYR A 21 177.235 10.737 12.175 1.00 0.00 H new ATOM 0 HE2 TYR A 21 179.616 10.331 8.663 1.00 0.00 H new ATOM 0 HH TYR A 21 180.243 11.519 10.416 1.00 0.00 H new ATOM 341 N ALA A 22 172.730 7.306 7.233 1.00 0.00 N ATOM 342 CA ALA A 22 172.074 6.562 6.156 1.00 0.00 C ATOM 343 C ALA A 22 170.760 7.218 5.712 1.00 0.00 C ATOM 344 O ALA A 22 169.976 6.608 4.981 1.00 0.00 O ATOM 345 CB ALA A 22 171.821 5.123 6.589 1.00 0.00 C ATOM 0 H ALA A 22 172.386 7.085 8.168 1.00 0.00 H new ATOM 0 HA ALA A 22 172.748 6.572 5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 22 171.333 4.580 5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 22 172.770 4.643 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.179 5.116 7.470 1.00 0.00 H new ATOM 351 N TRP A 23 170.519 8.458 6.147 1.00 0.00 N ATOM 352 CA TRP A 23 169.298 9.173 5.779 1.00 0.00 C ATOM 353 C TRP A 23 169.355 9.650 4.324 1.00 0.00 C ATOM 354 O TRP A 23 168.448 9.363 3.541 1.00 0.00 O ATOM 355 CB TRP A 23 169.062 10.366 6.715 1.00 0.00 C ATOM 356 CG TRP A 23 167.748 10.316 7.441 1.00 0.00 C ATOM 357 CD1 TRP A 23 166.609 9.671 7.045 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.437 10.944 8.691 1.00 0.00 C ATOM 359 NE1 TRP A 23 165.613 9.859 7.972 1.00 0.00 N ATOM 360 CE2 TRP A 23 166.097 10.636 8.993 1.00 0.00 C ATOM 361 CE3 TRP A 23 168.164 11.733 9.588 1.00 0.00 C ATOM 362 CZ2 TRP A 23 165.469 11.095 10.148 1.00 0.00 C ATOM 363 CZ3 TRP A 23 167.540 12.187 10.734 1.00 0.00 C ATOM 364 CH2 TRP A 23 166.205 11.865 11.007 1.00 0.00 C ATOM 0 H TRP A 23 171.151 8.984 6.751 1.00 0.00 H new ATOM 0 HA TRP A 23 168.465 8.478 5.881 1.00 0.00 H new ATOM 0 HB2 TRP A 23 169.869 10.407 7.446 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.111 11.287 6.134 1.00 0.00 H new ATOM 0 HD1 TRP A 23 166.507 9.097 6.136 1.00 0.00 H new ATOM 0 HE1 TRP A 23 164.667 9.482 7.911 1.00 0.00 H new ATOM 0 HE3 TRP A 23 169.195 11.983 9.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 164.438 10.852 10.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 168.091 12.801 11.431 1.00 0.00 H new ATOM 0 HH2 TRP A 23 165.747 12.232 11.914 1.00 0.00 H new ATOM 375 N PRO A 24 170.420 10.390 3.941 1.00 0.00 N ATOM 376 CA PRO A 24 170.580 10.905 2.576 1.00 0.00 C ATOM 377 C PRO A 24 170.981 9.825 1.566 1.00 0.00 C ATOM 378 O PRO A 24 171.115 10.108 0.375 1.00 0.00 O ATOM 379 CB PRO A 24 171.700 11.952 2.701 1.00 0.00 C ATOM 380 CG PRO A 24 171.993 12.074 4.163 1.00 0.00 C ATOM 381 CD PRO A 24 171.545 10.791 4.796 1.00 0.00 C ATOM 0 HA PRO A 24 169.639 11.306 2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 24 172.588 11.641 2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 24 171.386 12.910 2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 24 173.057 12.239 4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 24 171.465 12.924 4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.338 10.043 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.236 10.935 5.831 1.00 0.00 H new ATOM 389 N PHE A 25 171.171 8.591 2.041 1.00 0.00 N ATOM 390 CA PHE A 25 171.556 7.485 1.168 1.00 0.00 C ATOM 391 C PHE A 25 170.704 6.243 1.445 1.00 0.00 C ATOM 392 O PHE A 25 171.228 5.144 1.638 1.00 0.00 O ATOM 393 CB PHE A 25 173.047 7.165 1.341 1.00 0.00 C ATOM 394 CG PHE A 25 173.801 7.092 0.040 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.319 6.332 -1.016 1.00 0.00 C ATOM 396 CD2 PHE A 25 174.989 7.787 -0.128 1.00 0.00 C ATOM 397 CE1 PHE A 25 174.009 6.265 -2.211 1.00 0.00 C ATOM 398 CE2 PHE A 25 175.683 7.723 -1.321 1.00 0.00 C ATOM 399 CZ PHE A 25 175.191 6.962 -2.364 1.00 0.00 C ATOM 0 H PHE A 25 171.064 8.336 3.023 1.00 0.00 H new ATOM 0 HA PHE A 25 171.380 7.789 0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.503 7.927 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.148 6.214 1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 25 172.394 5.787 -0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.376 8.385 0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 25 173.624 5.668 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 25 176.609 8.267 -1.438 1.00 0.00 H new ATOM 0 HZ PHE A 25 175.731 6.912 -3.298 1.00 0.00 H new ATOM 409 N TYR A 26 169.384 6.429 1.455 1.00 0.00 N ATOM 410 CA TYR A 26 168.454 5.329 1.700 1.00 0.00 C ATOM 411 C TYR A 26 167.701 4.960 0.421 1.00 0.00 C ATOM 412 O TYR A 26 167.600 3.783 0.070 1.00 0.00 O ATOM 413 CB TYR A 26 167.461 5.701 2.807 1.00 0.00 C ATOM 414 CG TYR A 26 166.991 4.516 3.626 1.00 0.00 C ATOM 415 CD1 TYR A 26 166.175 3.540 3.066 1.00 0.00 C ATOM 416 CD2 TYR A 26 167.361 4.375 4.959 1.00 0.00 C ATOM 417 CE1 TYR A 26 165.742 2.458 3.810 1.00 0.00 C ATOM 418 CE2 TYR A 26 166.933 3.295 5.709 1.00 0.00 C ATOM 419 CZ TYR A 26 166.124 2.339 5.130 1.00 0.00 C ATOM 420 OH TYR A 26 165.695 1.262 5.873 1.00 0.00 O ATOM 0 H TYR A 26 168.936 7.331 1.296 1.00 0.00 H new ATOM 0 HA TYR A 26 169.032 4.463 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 26 167.927 6.429 3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 26 166.595 6.188 2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 26 165.874 3.628 2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 26 167.993 5.122 5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 26 165.107 1.709 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 26 167.231 3.200 6.743 1.00 0.00 H new ATOM 0 HH TYR A 26 164.910 1.520 6.400 1.00 0.00 H new ATOM 430 N LYS A 27 167.176 5.974 -0.271 1.00 0.00 N ATOM 431 CA LYS A 27 166.431 5.760 -1.514 1.00 0.00 C ATOM 432 C LYS A 27 167.371 5.713 -2.724 1.00 0.00 C ATOM 433 O LYS A 27 168.475 6.259 -2.683 1.00 0.00 O ATOM 434 CB LYS A 27 165.386 6.865 -1.707 1.00 0.00 C ATOM 435 CG LYS A 27 165.957 8.272 -1.622 1.00 0.00 C ATOM 436 CD LYS A 27 165.265 9.216 -2.589 1.00 0.00 C ATOM 437 CE LYS A 27 166.187 10.346 -3.023 1.00 0.00 C ATOM 438 NZ LYS A 27 166.154 10.561 -4.498 1.00 0.00 N ATOM 0 H LYS A 27 167.253 6.952 0.009 1.00 0.00 H new ATOM 0 HA LYS A 27 165.925 4.798 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 27 164.909 6.735 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 27 164.608 6.752 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 27 165.848 8.648 -0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 27 167.025 8.246 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 27 164.932 8.660 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 27 164.375 9.632 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 27 165.896 11.266 -2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 27 167.207 10.120 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 166.553 11.495 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 166.715 9.823 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 165.171 10.516 -4.834 1.00 0.00 H new ATOM 452 N PRO A 28 166.940 5.054 -3.822 1.00 0.00 N ATOM 453 CA PRO A 28 167.744 4.935 -5.050 1.00 0.00 C ATOM 454 C PRO A 28 167.808 6.243 -5.845 1.00 0.00 C ATOM 455 O PRO A 28 167.336 7.286 -5.384 1.00 0.00 O ATOM 456 CB PRO A 28 167.002 3.859 -5.846 1.00 0.00 C ATOM 457 CG PRO A 28 165.585 3.971 -5.401 1.00 0.00 C ATOM 458 CD PRO A 28 165.634 4.371 -3.951 1.00 0.00 C ATOM 0 HA PRO A 28 168.784 4.692 -4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 28 167.095 4.026 -6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.404 2.867 -5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 28 165.048 4.713 -5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.061 3.024 -5.527 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.808 5.033 -3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.568 3.504 -3.294 1.00 0.00 H new ATOM 466 N VAL A 29 168.392 6.180 -7.046 1.00 0.00 N ATOM 467 CA VAL A 29 168.512 7.357 -7.906 1.00 0.00 C ATOM 468 C VAL A 29 167.636 7.223 -9.153 1.00 0.00 C ATOM 469 O VAL A 29 168.127 6.946 -10.250 1.00 0.00 O ATOM 470 CB VAL A 29 169.977 7.620 -8.327 1.00 0.00 C ATOM 471 CG1 VAL A 29 170.769 8.203 -7.167 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.639 6.351 -8.848 1.00 0.00 C ATOM 0 H VAL A 29 168.788 5.327 -7.442 1.00 0.00 H new ATOM 0 HA VAL A 29 168.168 8.208 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 29 169.967 8.347 -9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 29 171.797 8.381 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 29 170.317 9.144 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 29 170.762 7.502 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.668 6.569 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.634 5.591 -8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 29 170.090 5.984 -9.715 1.00 0.00 H new ATOM 482 N ASP A 30 166.330 7.425 -8.973 1.00 0.00 N ATOM 483 CA ASP A 30 165.371 7.332 -10.073 1.00 0.00 C ATOM 484 C ASP A 30 165.643 8.402 -11.129 1.00 0.00 C ATOM 485 O ASP A 30 165.378 9.584 -10.908 1.00 0.00 O ATOM 486 CB ASP A 30 163.942 7.480 -9.542 1.00 0.00 C ATOM 487 CG ASP A 30 163.316 6.150 -9.173 1.00 0.00 C ATOM 488 OD1 ASP A 30 163.522 5.694 -8.029 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.618 5.566 -10.028 1.00 0.00 O ATOM 0 H ASP A 30 165.911 7.655 -8.072 1.00 0.00 H new ATOM 0 HA ASP A 30 165.484 6.352 -10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 30 163.949 8.129 -8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 30 163.327 7.970 -10.297 1.00 0.00 H new ATOM 494 N VAL A 31 166.174 7.982 -12.278 1.00 0.00 N ATOM 495 CA VAL A 31 166.480 8.910 -13.366 1.00 0.00 C ATOM 496 C VAL A 31 165.216 9.599 -13.890 1.00 0.00 C ATOM 497 O VAL A 31 165.243 10.787 -14.209 1.00 0.00 O ATOM 498 CB VAL A 31 167.213 8.203 -14.531 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.363 7.089 -15.126 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.613 9.204 -15.606 1.00 0.00 C ATOM 0 H VAL A 31 166.400 7.008 -12.479 1.00 0.00 H new ATOM 0 HA VAL A 31 167.143 9.669 -12.951 1.00 0.00 H new ATOM 0 HB VAL A 31 168.119 7.752 -14.126 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.907 6.613 -15.942 1.00 0.00 H new ATOM 0 HG12 VAL A 31 166.142 6.349 -14.356 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.431 7.506 -15.506 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.127 8.684 -16.414 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.721 9.693 -15.998 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.278 9.953 -15.176 1.00 0.00 H new ATOM 510 N GLU A 32 164.112 8.852 -13.973 1.00 0.00 N ATOM 511 CA GLU A 32 162.845 9.405 -14.453 1.00 0.00 C ATOM 512 C GLU A 32 162.225 10.353 -13.423 1.00 0.00 C ATOM 513 O GLU A 32 161.759 11.438 -13.771 1.00 0.00 O ATOM 514 CB GLU A 32 161.857 8.283 -14.786 1.00 0.00 C ATOM 515 CG GLU A 32 161.303 8.366 -16.201 1.00 0.00 C ATOM 516 CD GLU A 32 161.097 7.002 -16.836 1.00 0.00 C ATOM 517 OE1 GLU A 32 160.488 6.126 -16.185 1.00 0.00 O ATOM 518 OE2 GLU A 32 161.547 6.810 -17.985 1.00 0.00 O ATOM 0 H GLU A 32 164.071 7.866 -13.715 1.00 0.00 H new ATOM 0 HA GLU A 32 163.058 9.973 -15.359 1.00 0.00 H new ATOM 0 HB2 GLU A 32 162.353 7.321 -14.654 1.00 0.00 H new ATOM 0 HB3 GLU A 32 161.030 8.315 -14.077 1.00 0.00 H new ATOM 0 HG2 GLU A 32 160.353 8.900 -16.183 1.00 0.00 H new ATOM 0 HG3 GLU A 32 161.985 8.950 -16.819 1.00 0.00 H new ATOM 525 N ALA A 33 162.211 9.927 -12.157 1.00 0.00 N ATOM 526 CA ALA A 33 161.632 10.731 -11.079 1.00 0.00 C ATOM 527 C ALA A 33 162.490 11.952 -10.749 1.00 0.00 C ATOM 528 O ALA A 33 161.974 13.064 -10.638 1.00 0.00 O ATOM 529 CB ALA A 33 161.427 9.881 -9.830 1.00 0.00 C ATOM 0 H ALA A 33 162.594 9.031 -11.854 1.00 0.00 H new ATOM 0 HA ALA A 33 160.666 11.093 -11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 33 160.996 10.495 -9.039 1.00 0.00 H new ATOM 0 HB2 ALA A 33 160.752 9.056 -10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 33 162.386 9.484 -9.499 1.00 0.00 H new ATOM 535 N LEU A 34 163.795 11.740 -10.582 1.00 0.00 N ATOM 536 CA LEU A 34 164.712 12.832 -10.250 1.00 0.00 C ATOM 537 C LEU A 34 165.125 13.631 -11.489 1.00 0.00 C ATOM 538 O LEU A 34 165.550 14.782 -11.371 1.00 0.00 O ATOM 539 CB LEU A 34 165.963 12.286 -9.558 1.00 0.00 C ATOM 540 CG LEU A 34 165.710 11.537 -8.247 1.00 0.00 C ATOM 541 CD1 LEU A 34 166.951 10.759 -7.833 1.00 0.00 C ATOM 542 CD2 LEU A 34 165.291 12.510 -7.151 1.00 0.00 C ATOM 0 H LEU A 34 164.240 10.827 -10.670 1.00 0.00 H new ATOM 0 HA LEU A 34 164.180 13.503 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 34 166.476 11.616 -10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 34 166.640 13.117 -9.358 1.00 0.00 H new ATOM 0 HG LEU A 34 164.897 10.827 -8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 34 166.755 10.232 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.205 10.038 -8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 34 167.783 11.449 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 34 165.115 11.962 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 34 166.082 13.243 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 34 164.376 13.022 -7.449 1.00 0.00 H new ATOM 554 N GLY A 35 165.004 13.022 -12.670 1.00 0.00 N ATOM 555 CA GLY A 35 165.376 13.703 -13.900 1.00 0.00 C ATOM 556 C GLY A 35 166.878 13.865 -14.042 1.00 0.00 C ATOM 557 O GLY A 35 167.375 14.986 -14.155 1.00 0.00 O ATOM 0 H GLY A 35 164.656 12.072 -12.795 1.00 0.00 H new ATOM 0 HA2 GLY A 35 164.992 13.143 -14.752 1.00 0.00 H new ATOM 0 HA3 GLY A 35 164.904 14.685 -13.925 1.00 0.00 H new ATOM 561 N LEU A 36 167.602 12.745 -14.034 1.00 0.00 N ATOM 562 CA LEU A 36 169.059 12.774 -14.159 1.00 0.00 C ATOM 563 C LEU A 36 169.543 11.792 -15.228 1.00 0.00 C ATOM 564 O LEU A 36 170.096 10.736 -14.915 1.00 0.00 O ATOM 565 CB LEU A 36 169.729 12.466 -12.809 1.00 0.00 C ATOM 566 CG LEU A 36 169.003 11.449 -11.916 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.532 10.042 -12.159 1.00 0.00 C ATOM 568 CD2 LEU A 36 169.155 11.829 -10.450 1.00 0.00 C ATOM 0 H LEU A 36 167.205 11.810 -13.943 1.00 0.00 H new ATOM 0 HA LEU A 36 169.344 13.780 -14.468 1.00 0.00 H new ATOM 0 HB2 LEU A 36 170.737 12.097 -13.001 1.00 0.00 H new ATOM 0 HB3 LEU A 36 169.831 13.399 -12.255 1.00 0.00 H new ATOM 0 HG LEU A 36 167.944 11.463 -12.172 1.00 0.00 H new ATOM 0 HD11 LEU A 36 169.003 9.338 -11.516 1.00 0.00 H new ATOM 0 HD12 LEU A 36 169.374 9.769 -13.202 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.598 10.010 -11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 36 168.635 11.099 -9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 36 170.212 11.843 -10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 36 168.726 12.817 -10.284 1.00 0.00 H new ATOM 580 N HIS A 37 169.339 12.150 -16.498 1.00 0.00 N ATOM 581 CA HIS A 37 169.761 11.299 -17.612 1.00 0.00 C ATOM 582 C HIS A 37 171.288 11.268 -17.766 1.00 0.00 C ATOM 583 O HIS A 37 171.814 10.477 -18.551 1.00 0.00 O ATOM 584 CB HIS A 37 169.116 11.765 -18.922 1.00 0.00 C ATOM 585 CG HIS A 37 167.741 11.212 -19.148 1.00 0.00 C ATOM 586 ND1 HIS A 37 167.389 9.912 -18.844 1.00 0.00 N ATOM 587 CD2 HIS A 37 166.625 11.792 -19.651 1.00 0.00 C ATOM 588 CE1 HIS A 37 166.119 9.718 -19.150 1.00 0.00 C ATOM 589 NE2 HIS A 37 165.633 10.843 -19.641 1.00 0.00 N ATOM 0 H HIS A 37 168.886 13.020 -16.779 1.00 0.00 H new ATOM 0 HA HIS A 37 169.427 10.287 -17.385 1.00 0.00 H new ATOM 0 HB2 HIS A 37 169.065 12.854 -18.924 1.00 0.00 H new ATOM 0 HB3 HIS A 37 169.756 11.475 -19.755 1.00 0.00 H new ATOM 0 HD2 HIS A 37 166.533 12.811 -19.996 1.00 0.00 H new ATOM 0 HE1 HIS A 37 165.571 8.796 -19.021 1.00 0.00 H new ATOM 0 HE2 HIS A 37 164.675 10.984 -19.961 1.00 0.00 H new ATOM 598 N ASP A 38 171.998 12.115 -17.012 1.00 0.00 N ATOM 599 CA ASP A 38 173.457 12.154 -17.081 1.00 0.00 C ATOM 600 C ASP A 38 174.078 10.970 -16.336 1.00 0.00 C ATOM 601 O ASP A 38 175.230 10.615 -16.582 1.00 0.00 O ATOM 602 CB ASP A 38 173.990 13.467 -16.496 1.00 0.00 C ATOM 603 CG ASP A 38 173.817 14.641 -17.442 1.00 0.00 C ATOM 604 OD1 ASP A 38 174.445 14.633 -18.521 1.00 0.00 O ATOM 605 OD2 ASP A 38 173.054 15.569 -17.100 1.00 0.00 O ATOM 0 H ASP A 38 171.587 12.776 -16.353 1.00 0.00 H new ATOM 0 HA ASP A 38 173.738 12.090 -18.132 1.00 0.00 H new ATOM 0 HB2 ASP A 38 173.473 13.680 -15.560 1.00 0.00 H new ATOM 0 HB3 ASP A 38 175.047 13.351 -16.257 1.00 0.00 H new ATOM 610 N TYR A 39 173.308 10.358 -15.432 1.00 0.00 N ATOM 611 CA TYR A 39 173.789 9.213 -14.666 1.00 0.00 C ATOM 612 C TYR A 39 174.155 8.053 -15.590 1.00 0.00 C ATOM 613 O TYR A 39 175.193 7.417 -15.412 1.00 0.00 O ATOM 614 CB TYR A 39 172.731 8.760 -13.658 1.00 0.00 C ATOM 615 CG TYR A 39 173.296 8.380 -12.307 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.094 7.252 -12.155 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.025 9.147 -11.181 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.607 6.902 -10.921 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.534 8.803 -9.943 1.00 0.00 C ATOM 620 CZ TYR A 39 174.324 7.680 -9.818 1.00 0.00 C ATOM 621 OH TYR A 39 174.832 7.333 -8.587 1.00 0.00 O ATOM 0 H TYR A 39 172.351 10.638 -15.215 1.00 0.00 H new ATOM 0 HA TYR A 39 174.684 9.523 -14.127 1.00 0.00 H new ATOM 0 HB2 TYR A 39 172.004 9.561 -13.525 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.193 7.906 -14.069 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.317 6.639 -13.016 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.406 10.027 -11.275 1.00 0.00 H new ATOM 0 HE1 TYR A 39 175.227 6.023 -10.821 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.314 9.411 -9.078 1.00 0.00 H new ATOM 0 HH TYR A 39 174.540 7.985 -7.917 1.00 0.00 H new ATOM 631 N CYS A 40 173.299 7.789 -16.582 1.00 0.00 N ATOM 632 CA CYS A 40 173.541 6.708 -17.539 1.00 0.00 C ATOM 633 C CYS A 40 174.820 6.965 -18.332 1.00 0.00 C ATOM 634 O CYS A 40 175.587 6.041 -18.603 1.00 0.00 O ATOM 635 CB CYS A 40 172.352 6.557 -18.494 1.00 0.00 C ATOM 636 SG CYS A 40 171.987 4.846 -18.956 1.00 0.00 S ATOM 0 H CYS A 40 172.435 8.308 -16.742 1.00 0.00 H new ATOM 0 HA CYS A 40 173.660 5.781 -16.978 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.468 6.992 -18.028 1.00 0.00 H new ATOM 0 HB3 CYS A 40 172.551 7.132 -19.399 1.00 0.00 H new ATOM 0 HG CYS A 40 170.967 4.822 -19.762 1.00 0.00 H new ATOM 642 N ASP A 41 175.051 8.230 -18.690 1.00 0.00 N ATOM 643 CA ASP A 41 176.246 8.609 -19.440 1.00 0.00 C ATOM 644 C ASP A 41 177.506 8.357 -18.612 1.00 0.00 C ATOM 645 O ASP A 41 178.538 7.955 -19.150 1.00 0.00 O ATOM 646 CB ASP A 41 176.177 10.082 -19.853 1.00 0.00 C ATOM 647 CG ASP A 41 175.364 10.290 -21.116 1.00 0.00 C ATOM 648 OD1 ASP A 41 174.134 10.481 -21.006 1.00 0.00 O ATOM 649 OD2 ASP A 41 175.957 10.260 -22.216 1.00 0.00 O ATOM 0 H ASP A 41 174.426 9.006 -18.472 1.00 0.00 H new ATOM 0 HA ASP A 41 176.290 7.994 -20.339 1.00 0.00 H new ATOM 0 HB2 ASP A 41 175.739 10.664 -19.042 1.00 0.00 H new ATOM 0 HB3 ASP A 41 177.187 10.461 -20.008 1.00 0.00 H new ATOM 654 N ILE A 42 177.413 8.593 -17.302 1.00 0.00 N ATOM 655 CA ILE A 42 178.545 8.388 -16.401 1.00 0.00 C ATOM 656 C ILE A 42 178.730 6.905 -16.072 1.00 0.00 C ATOM 657 O ILE A 42 179.826 6.364 -16.225 1.00 0.00 O ATOM 658 CB ILE A 42 178.379 9.178 -15.082 1.00 0.00 C ATOM 659 CG1 ILE A 42 178.090 10.655 -15.366 1.00 0.00 C ATOM 660 CG2 ILE A 42 179.628 9.042 -14.220 1.00 0.00 C ATOM 661 CD1 ILE A 42 177.282 11.331 -14.280 1.00 0.00 C ATOM 0 H ILE A 42 176.565 8.926 -16.843 1.00 0.00 H new ATOM 0 HA ILE A 42 179.427 8.757 -16.924 1.00 0.00 H new ATOM 0 HB ILE A 42 177.531 8.760 -14.539 1.00 0.00 H new ATOM 0 HG12 ILE A 42 179.035 11.185 -15.488 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.554 10.737 -16.311 1.00 0.00 H new ATOM 0 HG21 ILE A 42 179.495 9.604 -13.295 1.00 0.00 H new ATOM 0 HG22 ILE A 42 179.795 7.991 -13.985 1.00 0.00 H new ATOM 0 HG23 ILE A 42 180.489 9.434 -14.762 1.00 0.00 H new ATOM 0 HD11 ILE A 42 177.115 12.374 -14.547 1.00 0.00 H new ATOM 0 HD12 ILE A 42 176.322 10.826 -14.173 1.00 0.00 H new ATOM 0 HD13 ILE A 42 177.826 11.281 -13.337 1.00 0.00 H new ATOM 673 N ILE A 43 177.657 6.255 -15.611 1.00 0.00 N ATOM 674 CA ILE A 43 177.712 4.837 -15.253 1.00 0.00 C ATOM 675 C ILE A 43 176.590 4.046 -15.924 1.00 0.00 C ATOM 676 O ILE A 43 175.459 4.524 -16.034 1.00 0.00 O ATOM 677 CB ILE A 43 177.616 4.631 -13.723 1.00 0.00 C ATOM 678 CG1 ILE A 43 178.618 5.529 -12.987 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.852 3.169 -13.366 1.00 0.00 C ATOM 680 CD1 ILE A 43 178.008 6.305 -11.839 1.00 0.00 C ATOM 0 H ILE A 43 176.743 6.688 -15.478 1.00 0.00 H new ATOM 0 HA ILE A 43 178.676 4.470 -15.606 1.00 0.00 H new ATOM 0 HB ILE A 43 176.611 4.909 -13.406 1.00 0.00 H new ATOM 0 HG12 ILE A 43 179.433 4.913 -12.606 1.00 0.00 H new ATOM 0 HG13 ILE A 43 179.054 6.231 -13.698 1.00 0.00 H new ATOM 0 HG21 ILE A 43 177.781 3.042 -12.286 1.00 0.00 H new ATOM 0 HG22 ILE A 43 177.100 2.549 -13.854 1.00 0.00 H new ATOM 0 HG23 ILE A 43 178.844 2.868 -13.702 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.775 6.918 -11.366 1.00 0.00 H new ATOM 0 HD12 ILE A 43 177.212 6.947 -12.216 1.00 0.00 H new ATOM 0 HD13 ILE A 43 177.597 5.609 -11.107 1.00 0.00 H new ATOM 692 N LYS A 44 176.910 2.826 -16.360 1.00 0.00 N ATOM 693 CA LYS A 44 175.927 1.958 -17.010 1.00 0.00 C ATOM 694 C LYS A 44 175.310 0.968 -16.018 1.00 0.00 C ATOM 695 O LYS A 44 174.146 0.589 -16.162 1.00 0.00 O ATOM 696 CB LYS A 44 176.562 1.198 -18.181 1.00 0.00 C ATOM 697 CG LYS A 44 177.683 0.251 -17.774 1.00 0.00 C ATOM 698 CD LYS A 44 178.581 -0.089 -18.953 1.00 0.00 C ATOM 699 CE LYS A 44 178.160 -1.390 -19.623 1.00 0.00 C ATOM 700 NZ LYS A 44 177.958 -1.229 -21.092 1.00 0.00 N ATOM 0 H LYS A 44 177.841 2.418 -16.275 1.00 0.00 H new ATOM 0 HA LYS A 44 175.132 2.598 -17.393 1.00 0.00 H new ATOM 0 HB2 LYS A 44 175.787 0.627 -18.693 1.00 0.00 H new ATOM 0 HB3 LYS A 44 176.953 1.919 -18.899 1.00 0.00 H new ATOM 0 HG2 LYS A 44 178.277 0.708 -16.983 1.00 0.00 H new ATOM 0 HG3 LYS A 44 177.256 -0.665 -17.364 1.00 0.00 H new ATOM 0 HD2 LYS A 44 178.550 0.722 -19.681 1.00 0.00 H new ATOM 0 HD3 LYS A 44 179.613 -0.172 -18.613 1.00 0.00 H new ATOM 0 HE2 LYS A 44 178.920 -2.151 -19.444 1.00 0.00 H new ATOM 0 HE3 LYS A 44 177.236 -1.748 -19.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 177.672 -2.140 -21.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 177.215 -0.522 -21.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 178.846 -0.913 -21.532 1.00 0.00 H new ATOM 714 N HIS A 45 176.090 0.548 -15.016 1.00 0.00 N ATOM 715 CA HIS A 45 175.606 -0.401 -14.012 1.00 0.00 C ATOM 716 C HIS A 45 175.679 0.193 -12.598 1.00 0.00 C ATOM 717 O HIS A 45 176.434 -0.290 -11.751 1.00 0.00 O ATOM 718 CB HIS A 45 176.417 -1.701 -14.075 1.00 0.00 C ATOM 719 CG HIS A 45 176.454 -2.338 -15.433 1.00 0.00 C ATOM 720 ND1 HIS A 45 177.576 -2.962 -15.940 1.00 0.00 N ATOM 721 CD2 HIS A 45 175.500 -2.455 -16.388 1.00 0.00 C ATOM 722 CE1 HIS A 45 177.310 -3.432 -17.145 1.00 0.00 C ATOM 723 NE2 HIS A 45 176.057 -3.138 -17.440 1.00 0.00 N ATOM 0 H HIS A 45 177.055 0.850 -14.880 1.00 0.00 H new ATOM 0 HA HIS A 45 174.561 -0.617 -14.235 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.438 -1.495 -13.755 1.00 0.00 H new ATOM 0 HB3 HIS A 45 175.998 -2.412 -13.364 1.00 0.00 H new ATOM 0 HD2 HIS A 45 174.489 -2.080 -16.332 1.00 0.00 H new ATOM 0 HE1 HIS A 45 178.000 -3.966 -17.781 1.00 0.00 H new ATOM 0 HE2 HIS A 45 175.580 -3.379 -18.309 1.00 0.00 H new ATOM 732 N PRO A 46 174.889 1.251 -12.323 1.00 0.00 N ATOM 733 CA PRO A 46 174.865 1.908 -11.008 1.00 0.00 C ATOM 734 C PRO A 46 174.072 1.115 -9.965 1.00 0.00 C ATOM 735 O PRO A 46 173.301 0.217 -10.310 1.00 0.00 O ATOM 736 CB PRO A 46 174.177 3.239 -11.304 1.00 0.00 C ATOM 737 CG PRO A 46 173.273 2.948 -12.452 1.00 0.00 C ATOM 738 CD PRO A 46 173.958 1.891 -13.275 1.00 0.00 C ATOM 0 HA PRO A 46 175.863 2.006 -10.581 1.00 0.00 H new ATOM 0 HB2 PRO A 46 173.617 3.597 -10.440 1.00 0.00 H new ATOM 0 HB3 PRO A 46 174.902 4.012 -11.557 1.00 0.00 H new ATOM 0 HG2 PRO A 46 172.301 2.599 -12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 46 173.095 3.846 -13.044 1.00 0.00 H new ATOM 0 HD2 PRO A 46 173.244 1.174 -13.679 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.488 2.325 -14.123 1.00 0.00 H new ATOM 746 N MET A 47 174.267 1.454 -8.687 1.00 0.00 N ATOM 747 CA MET A 47 173.568 0.774 -7.595 1.00 0.00 C ATOM 748 C MET A 47 173.310 1.719 -6.420 1.00 0.00 C ATOM 749 O MET A 47 173.981 2.743 -6.274 1.00 0.00 O ATOM 750 CB MET A 47 174.373 -0.439 -7.120 1.00 0.00 C ATOM 751 CG MET A 47 173.507 -1.629 -6.737 1.00 0.00 C ATOM 752 SD MET A 47 174.475 -3.105 -6.368 1.00 0.00 S ATOM 753 CE MET A 47 174.609 -3.842 -7.995 1.00 0.00 C ATOM 0 H MET A 47 174.901 2.193 -8.385 1.00 0.00 H new ATOM 0 HA MET A 47 172.604 0.439 -7.979 1.00 0.00 H new ATOM 0 HB2 MET A 47 175.062 -0.740 -7.909 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.979 -0.149 -6.262 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.903 -1.369 -5.868 1.00 0.00 H new ATOM 0 HG3 MET A 47 172.816 -1.847 -7.551 1.00 0.00 H new ATOM 0 HE1 MET A 47 175.478 -4.499 -8.026 1.00 0.00 H new ATOM 0 HE2 MET A 47 173.710 -4.420 -8.208 1.00 0.00 H new ATOM 0 HE3 MET A 47 174.721 -3.056 -8.742 1.00 0.00 H new ATOM 763 N ASP A 48 172.331 1.363 -5.583 1.00 0.00 N ATOM 764 CA ASP A 48 171.974 2.172 -4.417 1.00 0.00 C ATOM 765 C ASP A 48 171.710 1.294 -3.195 1.00 0.00 C ATOM 766 O ASP A 48 171.512 0.083 -3.319 1.00 0.00 O ATOM 767 CB ASP A 48 170.729 3.014 -4.713 1.00 0.00 C ATOM 768 CG ASP A 48 170.930 3.967 -5.874 1.00 0.00 C ATOM 769 OD1 ASP A 48 170.699 3.551 -7.029 1.00 0.00 O ATOM 770 OD2 ASP A 48 171.310 5.130 -5.628 1.00 0.00 O ATOM 0 H ASP A 48 171.771 0.517 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 48 172.817 2.829 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.891 2.352 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 48 170.460 3.583 -3.823 1.00 0.00 H new ATOM 775 N MET A 49 171.692 1.917 -2.013 1.00 0.00 N ATOM 776 CA MET A 49 171.435 1.198 -0.762 1.00 0.00 C ATOM 777 C MET A 49 170.086 0.480 -0.815 1.00 0.00 C ATOM 778 O MET A 49 169.962 -0.655 -0.355 1.00 0.00 O ATOM 779 CB MET A 49 171.464 2.161 0.429 1.00 0.00 C ATOM 780 CG MET A 49 171.959 1.522 1.717 1.00 0.00 C ATOM 781 SD MET A 49 173.758 1.434 1.801 1.00 0.00 S ATOM 782 CE MET A 49 174.056 2.089 3.442 1.00 0.00 C ATOM 0 H MET A 49 171.852 2.918 -1.896 1.00 0.00 H new ATOM 0 HA MET A 49 172.222 0.455 -0.635 1.00 0.00 H new ATOM 0 HB2 MET A 49 172.104 3.009 0.185 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.461 2.555 0.591 1.00 0.00 H new ATOM 0 HG2 MET A 49 171.587 2.093 2.568 1.00 0.00 H new ATOM 0 HG3 MET A 49 171.545 0.517 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 49 175.128 2.098 3.641 1.00 0.00 H new ATOM 0 HE2 MET A 49 173.667 3.105 3.504 1.00 0.00 H new ATOM 0 HE3 MET A 49 173.555 1.463 4.180 1.00 0.00 H new ATOM 792 N SER A 50 169.082 1.148 -1.389 1.00 0.00 N ATOM 793 CA SER A 50 167.743 0.573 -1.516 1.00 0.00 C ATOM 794 C SER A 50 167.777 -0.677 -2.393 1.00 0.00 C ATOM 795 O SER A 50 167.128 -1.677 -2.086 1.00 0.00 O ATOM 796 CB SER A 50 166.773 1.604 -2.106 1.00 0.00 C ATOM 797 OG SER A 50 165.554 0.999 -2.509 1.00 0.00 O ATOM 0 H SER A 50 169.173 2.089 -1.773 1.00 0.00 H new ATOM 0 HA SER A 50 167.395 0.292 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.569 2.378 -1.367 1.00 0.00 H new ATOM 0 HB3 SER A 50 167.237 2.094 -2.961 1.00 0.00 H new ATOM 0 HG SER A 50 164.823 1.646 -2.421 1.00 0.00 H new ATOM 803 N THR A 51 168.541 -0.612 -3.483 1.00 0.00 N ATOM 804 CA THR A 51 168.665 -1.737 -4.406 1.00 0.00 C ATOM 805 C THR A 51 169.334 -2.933 -3.725 1.00 0.00 C ATOM 806 O THR A 51 168.902 -4.075 -3.898 1.00 0.00 O ATOM 807 CB THR A 51 169.457 -1.320 -5.651 1.00 0.00 C ATOM 808 OG1 THR A 51 169.043 -0.040 -6.101 1.00 0.00 O ATOM 809 CG2 THR A 51 169.300 -2.283 -6.810 1.00 0.00 C ATOM 0 H THR A 51 169.084 0.210 -3.748 1.00 0.00 H new ATOM 0 HA THR A 51 167.663 -2.038 -4.712 1.00 0.00 H new ATOM 0 HB THR A 51 170.502 -1.314 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.560 0.211 -6.895 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.886 -1.930 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 51 169.652 -3.271 -6.513 1.00 0.00 H new ATOM 0 HG23 THR A 51 168.249 -2.342 -7.094 1.00 0.00 H new ATOM 817 N ILE A 52 170.383 -2.666 -2.944 1.00 0.00 N ATOM 818 CA ILE A 52 171.099 -3.725 -2.234 1.00 0.00 C ATOM 819 C ILE A 52 170.240 -4.309 -1.112 1.00 0.00 C ATOM 820 O ILE A 52 170.158 -5.528 -0.954 1.00 0.00 O ATOM 821 CB ILE A 52 172.435 -3.217 -1.639 1.00 0.00 C ATOM 822 CG1 ILE A 52 173.274 -2.512 -2.712 1.00 0.00 C ATOM 823 CG2 ILE A 52 173.220 -4.370 -1.029 1.00 0.00 C ATOM 824 CD1 ILE A 52 174.236 -1.487 -2.151 1.00 0.00 C ATOM 0 H ILE A 52 170.754 -1.729 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 52 171.317 -4.502 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 52 172.205 -2.497 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.837 -3.260 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.606 -2.022 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 52 174.156 -3.994 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 52 172.632 -4.831 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 52 173.435 -5.111 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.796 -1.029 -2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.678 -0.718 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.928 -1.975 -1.465 1.00 0.00 H new ATOM 836 N LYS A 53 169.594 -3.435 -0.337 1.00 0.00 N ATOM 837 CA LYS A 53 168.739 -3.875 0.765 1.00 0.00 C ATOM 838 C LYS A 53 167.515 -4.630 0.248 1.00 0.00 C ATOM 839 O LYS A 53 167.046 -5.568 0.892 1.00 0.00 O ATOM 840 CB LYS A 53 168.289 -2.681 1.614 1.00 0.00 C ATOM 841 CG LYS A 53 168.876 -2.675 3.016 1.00 0.00 C ATOM 842 CD LYS A 53 168.106 -1.745 3.942 1.00 0.00 C ATOM 843 CE LYS A 53 167.102 -2.509 4.796 1.00 0.00 C ATOM 844 NZ LYS A 53 165.939 -3.000 4.000 1.00 0.00 N ATOM 0 H LYS A 53 169.647 -2.423 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 53 169.327 -4.551 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 53 168.572 -1.758 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 53 167.201 -2.686 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 53 168.862 -3.687 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 53 169.920 -2.364 2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 53 168.805 -1.214 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 53 167.584 -0.993 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 53 167.600 -3.356 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 53 166.744 -1.863 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 165.228 -3.408 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 165.518 -2.207 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 166.260 -3.727 3.329 1.00 0.00 H new ATOM 858 N SER A 54 167.005 -4.219 -0.919 1.00 0.00 N ATOM 859 CA SER A 54 165.833 -4.863 -1.518 1.00 0.00 C ATOM 860 C SER A 54 166.082 -6.355 -1.733 1.00 0.00 C ATOM 861 O SER A 54 165.195 -7.177 -1.495 1.00 0.00 O ATOM 862 CB SER A 54 165.473 -4.195 -2.849 1.00 0.00 C ATOM 863 OG SER A 54 164.244 -4.689 -3.357 1.00 0.00 O ATOM 0 H SER A 54 167.385 -3.446 -1.465 1.00 0.00 H new ATOM 0 HA SER A 54 164.997 -4.747 -0.828 1.00 0.00 H new ATOM 0 HB2 SER A 54 165.404 -3.116 -2.710 1.00 0.00 H new ATOM 0 HB3 SER A 54 166.267 -4.373 -3.574 1.00 0.00 H new ATOM 0 HG SER A 54 164.038 -4.244 -4.206 1.00 0.00 H new ATOM 869 N LYS A 55 167.296 -6.703 -2.167 1.00 0.00 N ATOM 870 CA LYS A 55 167.654 -8.103 -2.389 1.00 0.00 C ATOM 871 C LYS A 55 167.524 -8.884 -1.083 1.00 0.00 C ATOM 872 O LYS A 55 166.907 -9.947 -1.043 1.00 0.00 O ATOM 873 CB LYS A 55 169.084 -8.215 -2.934 1.00 0.00 C ATOM 874 CG LYS A 55 169.164 -8.820 -4.329 1.00 0.00 C ATOM 875 CD LYS A 55 169.810 -7.863 -5.319 1.00 0.00 C ATOM 876 CE LYS A 55 170.441 -8.611 -6.484 1.00 0.00 C ATOM 877 NZ LYS A 55 171.217 -7.704 -7.378 1.00 0.00 N ATOM 0 H LYS A 55 168.042 -6.038 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 55 166.972 -8.526 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 55 169.535 -7.223 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 55 169.677 -8.822 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 55 169.736 -9.747 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 55 168.162 -9.078 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 55 169.061 -7.166 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 55 170.570 -7.270 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 55 171.099 -9.391 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 55 169.661 -9.108 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 171.630 -8.255 -8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 170.585 -6.975 -7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 171.978 -7.249 -6.835 1.00 0.00 H new ATOM 891 N LEU A 56 168.093 -8.332 -0.011 1.00 0.00 N ATOM 892 CA LEU A 56 168.028 -8.957 1.308 1.00 0.00 C ATOM 893 C LEU A 56 166.578 -9.025 1.806 1.00 0.00 C ATOM 894 O LEU A 56 166.190 -9.984 2.475 1.00 0.00 O ATOM 895 CB LEU A 56 168.905 -8.177 2.300 1.00 0.00 C ATOM 896 CG LEU A 56 168.596 -8.395 3.788 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.831 -9.847 4.187 1.00 0.00 C ATOM 898 CD2 LEU A 56 169.442 -7.465 4.645 1.00 0.00 C ATOM 0 H LEU A 56 168.605 -7.450 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 56 168.405 -9.977 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.946 -8.446 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 56 168.808 -7.114 2.081 1.00 0.00 H new ATOM 0 HG LEU A 56 167.544 -8.165 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.605 -9.975 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 56 168.184 -10.496 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.873 -10.111 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 56 169.212 -7.631 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 56 170.498 -7.667 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 56 169.222 -6.430 4.384 1.00 0.00 H new ATOM 910 N GLU A 57 165.782 -8.001 1.472 1.00 0.00 N ATOM 911 CA GLU A 57 164.376 -7.943 1.881 1.00 0.00 C ATOM 912 C GLU A 57 163.564 -9.081 1.260 1.00 0.00 C ATOM 913 O GLU A 57 162.715 -9.677 1.923 1.00 0.00 O ATOM 914 CB GLU A 57 163.753 -6.598 1.493 1.00 0.00 C ATOM 915 CG GLU A 57 164.368 -5.411 2.216 1.00 0.00 C ATOM 916 CD GLU A 57 163.327 -4.440 2.738 1.00 0.00 C ATOM 917 OE1 GLU A 57 162.715 -4.732 3.786 1.00 0.00 O ATOM 918 OE2 GLU A 57 163.130 -3.384 2.102 1.00 0.00 O ATOM 0 H GLU A 57 166.090 -7.201 0.919 1.00 0.00 H new ATOM 0 HA GLU A 57 164.351 -8.052 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.861 -6.454 0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 57 162.684 -6.628 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.972 -5.771 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 57 165.040 -4.886 1.537 1.00 0.00 H new ATOM 925 N ALA A 58 163.826 -9.376 -0.016 1.00 0.00 N ATOM 926 CA ALA A 58 163.110 -10.443 -0.718 1.00 0.00 C ATOM 927 C ALA A 58 163.822 -11.800 -0.596 1.00 0.00 C ATOM 928 O ALA A 58 163.521 -12.729 -1.348 1.00 0.00 O ATOM 929 CB ALA A 58 162.920 -10.070 -2.185 1.00 0.00 C ATOM 0 H ALA A 58 164.525 -8.894 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 58 162.135 -10.550 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 58 162.387 -10.870 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 58 162.344 -9.147 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.894 -9.925 -2.653 1.00 0.00 H new ATOM 935 N ARG A 59 164.766 -11.912 0.348 1.00 0.00 N ATOM 936 CA ARG A 59 165.518 -13.154 0.559 1.00 0.00 C ATOM 937 C ARG A 59 166.307 -13.551 -0.696 1.00 0.00 C ATOM 938 O ARG A 59 166.579 -14.732 -0.920 1.00 0.00 O ATOM 939 CB ARG A 59 164.577 -14.294 0.978 1.00 0.00 C ATOM 940 CG ARG A 59 165.295 -15.485 1.608 1.00 0.00 C ATOM 941 CD ARG A 59 165.288 -15.417 3.131 1.00 0.00 C ATOM 942 NE ARG A 59 166.092 -16.486 3.729 1.00 0.00 N ATOM 943 CZ ARG A 59 165.979 -16.894 4.998 1.00 0.00 C ATOM 944 NH1 ARG A 59 165.103 -16.323 5.822 1.00 0.00 N ATOM 945 NH2 ARG A 59 166.751 -17.880 5.445 1.00 0.00 N ATOM 0 H ARG A 59 165.027 -11.154 0.979 1.00 0.00 H new ATOM 0 HA ARG A 59 166.231 -12.974 1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 59 163.845 -13.907 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 59 164.024 -14.636 0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.816 -16.409 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 59 166.325 -15.517 1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 59 165.673 -14.450 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 59 164.262 -15.488 3.493 1.00 0.00 H new ATOM 0 HE ARG A 59 166.783 -16.949 3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 59 164.508 -15.565 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 59 165.027 -16.644 6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 59 167.426 -18.322 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 59 166.668 -18.194 6.412 1.00 0.00 H new ATOM 959 N GLU A 60 166.688 -12.558 -1.504 1.00 0.00 N ATOM 960 CA GLU A 60 167.459 -12.808 -2.721 1.00 0.00 C ATOM 961 C GLU A 60 168.910 -13.142 -2.377 1.00 0.00 C ATOM 962 O GLU A 60 169.550 -13.946 -3.057 1.00 0.00 O ATOM 963 CB GLU A 60 167.411 -11.592 -3.653 1.00 0.00 C ATOM 964 CG GLU A 60 166.022 -11.279 -4.197 1.00 0.00 C ATOM 965 CD GLU A 60 166.053 -10.570 -5.544 1.00 0.00 C ATOM 966 OE1 GLU A 60 167.018 -10.775 -6.312 1.00 0.00 O ATOM 967 OE2 GLU A 60 165.105 -9.809 -5.830 1.00 0.00 O ATOM 0 H GLU A 60 166.475 -11.575 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 60 167.013 -13.660 -3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.784 -10.720 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 60 168.087 -11.763 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 60 165.459 -12.207 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.489 -10.657 -3.478 1.00 0.00 H new ATOM 974 N TYR A 61 169.419 -12.520 -1.310 1.00 0.00 N ATOM 975 CA TYR A 61 170.790 -12.751 -0.863 1.00 0.00 C ATOM 976 C TYR A 61 170.942 -14.151 -0.275 1.00 0.00 C ATOM 977 O TYR A 61 170.486 -14.423 0.837 1.00 0.00 O ATOM 978 CB TYR A 61 171.200 -11.700 0.174 1.00 0.00 C ATOM 979 CG TYR A 61 171.841 -10.469 -0.430 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.933 -10.578 -1.284 1.00 0.00 C ATOM 981 CD2 TYR A 61 171.354 -9.197 -0.148 1.00 0.00 C ATOM 982 CE1 TYR A 61 173.520 -9.458 -1.837 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.938 -8.074 -0.699 1.00 0.00 C ATOM 984 CZ TYR A 61 173.019 -8.210 -1.542 1.00 0.00 C ATOM 985 OH TYR A 61 173.601 -7.093 -2.090 1.00 0.00 O ATOM 0 H TYR A 61 168.899 -11.852 -0.741 1.00 0.00 H new ATOM 0 HA TYR A 61 171.445 -12.667 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 61 170.319 -11.399 0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.896 -12.152 0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 61 173.328 -11.555 -1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 61 170.506 -9.086 0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 61 174.368 -9.560 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 61 171.549 -7.093 -0.470 1.00 0.00 H new ATOM 0 HH TYR A 61 173.944 -7.307 -2.983 1.00 0.00 H new ATOM 995 N ARG A 62 171.590 -15.034 -1.033 1.00 0.00 N ATOM 996 CA ARG A 62 171.812 -16.409 -0.596 1.00 0.00 C ATOM 997 C ARG A 62 172.816 -16.469 0.559 1.00 0.00 C ATOM 998 O ARG A 62 172.754 -17.375 1.393 1.00 0.00 O ATOM 999 CB ARG A 62 172.306 -17.262 -1.768 1.00 0.00 C ATOM 1000 CG ARG A 62 172.225 -18.761 -1.519 1.00 0.00 C ATOM 1001 CD ARG A 62 173.356 -19.502 -2.219 1.00 0.00 C ATOM 1002 NE ARG A 62 172.893 -20.221 -3.407 1.00 0.00 N ATOM 1003 CZ ARG A 62 172.257 -21.397 -3.370 1.00 0.00 C ATOM 1004 NH1 ARG A 62 171.994 -21.987 -2.206 1.00 0.00 N ATOM 1005 NH2 ARG A 62 171.881 -21.983 -4.502 1.00 0.00 N ATOM 0 H ARG A 62 171.971 -14.820 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 62 170.862 -16.807 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 62 171.719 -17.019 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 62 173.340 -16.996 -1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 62 172.268 -18.956 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 62 171.266 -19.139 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 62 174.131 -18.791 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 62 173.811 -20.207 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 62 173.066 -19.799 -4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 62 172.278 -21.542 -1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 62 171.508 -22.884 -2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 62 172.078 -21.536 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 62 171.396 -22.880 -4.475 1.00 0.00 H new ATOM 1019 N ASP A 63 173.741 -15.503 0.604 1.00 0.00 N ATOM 1020 CA ASP A 63 174.750 -15.461 1.662 1.00 0.00 C ATOM 1021 C ASP A 63 175.296 -14.048 1.864 1.00 0.00 C ATOM 1022 O ASP A 63 175.125 -13.174 1.009 1.00 0.00 O ATOM 1023 CB ASP A 63 175.900 -16.422 1.336 1.00 0.00 C ATOM 1024 CG ASP A 63 176.393 -17.173 2.558 1.00 0.00 C ATOM 1025 OD1 ASP A 63 176.860 -16.515 3.513 1.00 0.00 O ATOM 1026 OD2 ASP A 63 176.312 -18.419 2.562 1.00 0.00 O ATOM 0 H ASP A 63 173.810 -14.746 -0.076 1.00 0.00 H new ATOM 0 HA ASP A 63 174.269 -15.772 2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 63 175.569 -17.137 0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 63 176.726 -15.860 0.901 1.00 0.00 H new ATOM 1031 N ALA A 64 175.969 -13.838 2.999 1.00 0.00 N ATOM 1032 CA ALA A 64 176.561 -12.540 3.325 1.00 0.00 C ATOM 1033 C ALA A 64 177.732 -12.216 2.396 1.00 0.00 C ATOM 1034 O ALA A 64 178.077 -11.048 2.209 1.00 0.00 O ATOM 1035 CB ALA A 64 177.016 -12.513 4.777 1.00 0.00 C ATOM 0 H ALA A 64 176.117 -14.555 3.710 1.00 0.00 H new ATOM 0 HA ALA A 64 175.795 -11.778 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.454 -11.541 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.160 -12.686 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.760 -13.293 4.940 1.00 0.00 H new ATOM 1041 N GLN A 65 178.334 -13.253 1.807 1.00 0.00 N ATOM 1042 CA GLN A 65 179.456 -13.073 0.891 1.00 0.00 C ATOM 1043 C GLN A 65 179.020 -12.276 -0.339 1.00 0.00 C ATOM 1044 O GLN A 65 179.765 -11.432 -0.839 1.00 0.00 O ATOM 1045 CB GLN A 65 180.013 -14.434 0.466 1.00 0.00 C ATOM 1046 CG GLN A 65 181.451 -14.382 -0.026 1.00 0.00 C ATOM 1047 CD GLN A 65 181.679 -15.247 -1.251 1.00 0.00 C ATOM 1048 OE1 GLN A 65 182.185 -14.777 -2.270 1.00 0.00 O ATOM 1049 NE2 GLN A 65 181.309 -16.520 -1.157 1.00 0.00 N ATOM 0 H GLN A 65 178.061 -14.225 1.950 1.00 0.00 H new ATOM 0 HA GLN A 65 180.238 -12.516 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 65 179.952 -15.121 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 65 179.383 -14.843 -0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 65 181.714 -13.350 -0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 65 182.117 -14.707 0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 65 180.893 -16.868 -0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 65 181.441 -17.149 -1.949 1.00 0.00 H new ATOM 1058 N GLU A 66 177.800 -12.542 -0.811 1.00 0.00 N ATOM 1059 CA GLU A 66 177.251 -11.843 -1.971 1.00 0.00 C ATOM 1060 C GLU A 66 176.933 -10.384 -1.629 1.00 0.00 C ATOM 1061 O GLU A 66 177.094 -9.494 -2.465 1.00 0.00 O ATOM 1062 CB GLU A 66 175.987 -12.552 -2.462 1.00 0.00 C ATOM 1063 CG GLU A 66 175.626 -12.233 -3.903 1.00 0.00 C ATOM 1064 CD GLU A 66 174.335 -12.899 -4.340 1.00 0.00 C ATOM 1065 OE1 GLU A 66 174.342 -14.131 -4.545 1.00 0.00 O ATOM 1066 OE2 GLU A 66 173.317 -12.188 -4.475 1.00 0.00 O ATOM 0 H GLU A 66 177.174 -13.238 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 66 178.000 -11.855 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 66 176.123 -13.629 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 66 175.152 -12.274 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 66 175.532 -11.153 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.436 -12.555 -4.557 1.00 0.00 H new ATOM 1073 N PHE A 67 176.488 -10.149 -0.391 1.00 0.00 N ATOM 1074 CA PHE A 67 176.156 -8.801 0.072 1.00 0.00 C ATOM 1075 C PHE A 67 177.374 -7.888 -0.022 1.00 0.00 C ATOM 1076 O PHE A 67 177.291 -6.780 -0.555 1.00 0.00 O ATOM 1077 CB PHE A 67 175.644 -8.843 1.516 1.00 0.00 C ATOM 1078 CG PHE A 67 174.906 -7.601 1.940 1.00 0.00 C ATOM 1079 CD1 PHE A 67 175.597 -6.452 2.296 1.00 0.00 C ATOM 1080 CD2 PHE A 67 173.521 -7.585 1.984 1.00 0.00 C ATOM 1081 CE1 PHE A 67 174.919 -5.313 2.686 1.00 0.00 C ATOM 1082 CE2 PHE A 67 172.838 -6.447 2.373 1.00 0.00 C ATOM 1083 CZ PHE A 67 173.538 -5.310 2.724 1.00 0.00 C ATOM 0 H PHE A 67 176.350 -10.878 0.309 1.00 0.00 H new ATOM 0 HA PHE A 67 175.370 -8.403 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.984 -9.703 1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 67 176.490 -8.998 2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 67 176.677 -6.448 2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.968 -8.472 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 67 175.469 -4.425 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 67 171.758 -6.448 2.402 1.00 0.00 H new ATOM 0 HZ PHE A 67 173.007 -4.420 3.028 1.00 0.00 H new ATOM 1093 N GLY A 68 178.506 -8.370 0.491 1.00 0.00 N ATOM 1094 CA GLY A 68 179.736 -7.599 0.452 1.00 0.00 C ATOM 1095 C GLY A 68 180.178 -7.283 -0.966 1.00 0.00 C ATOM 1096 O GLY A 68 180.757 -6.224 -1.217 1.00 0.00 O ATOM 0 H GLY A 68 178.591 -9.285 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 68 179.595 -6.668 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 68 180.525 -8.153 0.960 1.00 0.00 H new ATOM 1100 N ALA A 69 179.898 -8.202 -1.897 1.00 0.00 N ATOM 1101 CA ALA A 69 180.264 -8.016 -3.302 1.00 0.00 C ATOM 1102 C ALA A 69 179.573 -6.791 -3.902 1.00 0.00 C ATOM 1103 O ALA A 69 180.165 -6.069 -4.706 1.00 0.00 O ATOM 1104 CB ALA A 69 179.926 -9.263 -4.112 1.00 0.00 C ATOM 0 H ALA A 69 179.419 -9.081 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 69 181.340 -7.849 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 69 180.205 -9.107 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.475 -10.116 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.856 -9.459 -4.048 1.00 0.00 H new ATOM 1110 N ASP A 70 178.320 -6.558 -3.507 1.00 0.00 N ATOM 1111 CA ASP A 70 177.559 -5.415 -4.007 1.00 0.00 C ATOM 1112 C ASP A 70 178.006 -4.114 -3.336 1.00 0.00 C ATOM 1113 O ASP A 70 177.950 -3.046 -3.947 1.00 0.00 O ATOM 1114 CB ASP A 70 176.056 -5.630 -3.795 1.00 0.00 C ATOM 1115 CG ASP A 70 175.417 -6.421 -4.924 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.700 -6.116 -6.102 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.631 -7.345 -4.630 1.00 0.00 O ATOM 0 H ASP A 70 177.813 -7.145 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 70 177.754 -5.331 -5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.896 -6.154 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 70 175.562 -4.662 -3.709 1.00 0.00 H new ATOM 1122 N VAL A 71 178.456 -4.206 -2.083 1.00 0.00 N ATOM 1123 CA VAL A 71 178.915 -3.029 -1.350 1.00 0.00 C ATOM 1124 C VAL A 71 180.182 -2.451 -1.979 1.00 0.00 C ATOM 1125 O VAL A 71 180.268 -1.246 -2.221 1.00 0.00 O ATOM 1126 CB VAL A 71 179.190 -3.345 0.136 1.00 0.00 C ATOM 1127 CG1 VAL A 71 179.543 -2.073 0.894 1.00 0.00 C ATOM 1128 CG2 VAL A 71 177.994 -4.040 0.775 1.00 0.00 C ATOM 0 H VAL A 71 178.512 -5.079 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 71 178.111 -2.295 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 71 180.041 -4.025 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 71 179.734 -2.314 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 71 180.435 -1.624 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 71 178.714 -1.369 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 71 178.213 -4.252 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 71 177.120 -3.392 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 71 177.793 -4.974 0.250 1.00 0.00 H new ATOM 1138 N ARG A 72 181.162 -3.318 -2.247 1.00 0.00 N ATOM 1139 CA ARG A 72 182.422 -2.883 -2.854 1.00 0.00 C ATOM 1140 C ARG A 72 182.190 -2.339 -4.267 1.00 0.00 C ATOM 1141 O ARG A 72 182.860 -1.396 -4.693 1.00 0.00 O ATOM 1142 CB ARG A 72 183.444 -4.030 -2.881 1.00 0.00 C ATOM 1143 CG ARG A 72 182.968 -5.280 -3.610 1.00 0.00 C ATOM 1144 CD ARG A 72 183.499 -6.546 -2.953 1.00 0.00 C ATOM 1145 NE ARG A 72 183.703 -7.626 -3.919 1.00 0.00 N ATOM 1146 CZ ARG A 72 183.784 -8.921 -3.592 1.00 0.00 C ATOM 1147 NH1 ARG A 72 183.680 -9.309 -2.323 1.00 0.00 N ATOM 1148 NH2 ARG A 72 183.972 -9.831 -4.542 1.00 0.00 N ATOM 0 H ARG A 72 181.108 -4.318 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 72 182.827 -2.079 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 72 184.359 -3.674 -3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.699 -4.297 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 72 181.878 -5.304 -3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 72 183.296 -5.243 -4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 72 184.442 -6.326 -2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 72 182.800 -6.875 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 72 183.789 -7.376 -4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 72 183.537 -8.616 -1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 72 183.743 -10.299 -2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 72 184.054 -9.541 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 72 184.034 -10.819 -4.297 1.00 0.00 H new ATOM 1162 N LEU A 73 181.229 -2.931 -4.982 1.00 0.00 N ATOM 1163 CA LEU A 73 180.899 -2.500 -6.340 1.00 0.00 C ATOM 1164 C LEU A 73 180.242 -1.118 -6.326 1.00 0.00 C ATOM 1165 O LEU A 73 180.614 -0.238 -7.105 1.00 0.00 O ATOM 1166 CB LEU A 73 179.970 -3.522 -7.009 1.00 0.00 C ATOM 1167 CG LEU A 73 179.543 -3.188 -8.442 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.480 -3.843 -9.447 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.105 -3.628 -8.682 1.00 0.00 C ATOM 0 H LEU A 73 180.666 -3.711 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 73 181.824 -2.434 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 73 180.469 -4.491 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 73 179.074 -3.627 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 73 179.601 -2.108 -8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.160 -3.594 -10.459 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.495 -3.480 -9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 73 180.456 -4.925 -9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 73 177.816 -3.384 -9.704 1.00 0.00 H new ATOM 0 HD22 LEU A 73 178.023 -4.704 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 73 177.445 -3.111 -7.985 1.00 0.00 H new ATOM 1181 N MET A 74 179.264 -0.936 -5.434 1.00 0.00 N ATOM 1182 CA MET A 74 178.555 0.339 -5.314 1.00 0.00 C ATOM 1183 C MET A 74 179.516 1.475 -4.972 1.00 0.00 C ATOM 1184 O MET A 74 179.459 2.542 -5.581 1.00 0.00 O ATOM 1185 CB MET A 74 177.457 0.249 -4.250 1.00 0.00 C ATOM 1186 CG MET A 74 176.450 1.389 -4.315 1.00 0.00 C ATOM 1187 SD MET A 74 175.995 2.013 -2.685 1.00 0.00 S ATOM 1188 CE MET A 74 177.473 2.925 -2.245 1.00 0.00 C ATOM 0 H MET A 74 178.946 -1.656 -4.785 1.00 0.00 H new ATOM 0 HA MET A 74 178.097 0.553 -6.280 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.929 -0.698 -4.364 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.919 0.240 -3.263 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.868 2.203 -4.907 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.553 1.047 -4.831 1.00 0.00 H new ATOM 0 HE1 MET A 74 177.799 2.630 -1.247 1.00 0.00 H new ATOM 0 HE2 MET A 74 178.263 2.707 -2.964 1.00 0.00 H new ATOM 0 HE3 MET A 74 177.258 3.994 -2.256 1.00 0.00 H new ATOM 1198 N PHE A 75 180.396 1.240 -3.996 1.00 0.00 N ATOM 1199 CA PHE A 75 181.369 2.249 -3.577 1.00 0.00 C ATOM 1200 C PHE A 75 182.296 2.634 -4.729 1.00 0.00 C ATOM 1201 O PHE A 75 182.630 3.807 -4.895 1.00 0.00 O ATOM 1202 CB PHE A 75 182.196 1.738 -2.392 1.00 0.00 C ATOM 1203 CG PHE A 75 181.584 2.039 -1.051 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.263 1.710 -0.785 1.00 0.00 C ATOM 1205 CD2 PHE A 75 182.331 2.650 -0.056 1.00 0.00 C ATOM 1206 CE1 PHE A 75 179.701 1.986 0.447 1.00 0.00 C ATOM 1207 CE2 PHE A 75 181.773 2.927 1.177 1.00 0.00 C ATOM 1208 CZ PHE A 75 180.456 2.595 1.428 1.00 0.00 C ATOM 0 H PHE A 75 180.454 0.361 -3.482 1.00 0.00 H new ATOM 0 HA PHE A 75 180.815 3.136 -3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 75 182.325 0.660 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 75 183.190 2.183 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 75 179.667 1.233 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 75 183.361 2.913 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 75 178.671 1.725 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 75 182.366 3.403 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 75 180.018 2.812 2.391 1.00 0.00 H new ATOM 1218 N SER A 76 182.706 1.642 -5.525 1.00 0.00 N ATOM 1219 CA SER A 76 183.592 1.887 -6.664 1.00 0.00 C ATOM 1220 C SER A 76 182.951 2.861 -7.652 1.00 0.00 C ATOM 1221 O SER A 76 183.596 3.807 -8.108 1.00 0.00 O ATOM 1222 CB SER A 76 183.937 0.573 -7.375 1.00 0.00 C ATOM 1223 OG SER A 76 184.902 0.780 -8.393 1.00 0.00 O ATOM 0 H SER A 76 182.439 0.665 -5.401 1.00 0.00 H new ATOM 0 HA SER A 76 184.511 2.332 -6.282 1.00 0.00 H new ATOM 0 HB2 SER A 76 184.317 -0.147 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.034 0.143 -7.808 1.00 0.00 H new ATOM 0 HG SER A 76 185.105 -0.074 -8.829 1.00 0.00 H new ATOM 1229 N ASN A 77 181.678 2.628 -7.973 1.00 0.00 N ATOM 1230 CA ASN A 77 180.950 3.490 -8.902 1.00 0.00 C ATOM 1231 C ASN A 77 180.571 4.810 -8.233 1.00 0.00 C ATOM 1232 O ASN A 77 180.678 5.876 -8.841 1.00 0.00 O ATOM 1233 CB ASN A 77 179.692 2.788 -9.418 1.00 0.00 C ATOM 1234 CG ASN A 77 180.012 1.677 -10.400 1.00 0.00 C ATOM 1235 OD1 ASN A 77 180.462 1.934 -11.517 1.00 0.00 O ATOM 1236 ND2 ASN A 77 179.781 0.434 -9.990 1.00 0.00 N ATOM 0 H ASN A 77 181.131 1.850 -7.603 1.00 0.00 H new ATOM 0 HA ASN A 77 181.606 3.702 -9.746 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.138 2.376 -8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 77 179.043 3.519 -9.900 1.00 0.00 H new ATOM 0 HD21 ASN A 77 179.977 -0.352 -10.610 1.00 0.00 H new ATOM 0 HD22 ASN A 77 179.407 0.266 -9.056 1.00 0.00 H new ATOM 1243 N CYS A 78 180.130 4.727 -6.978 1.00 0.00 N ATOM 1244 CA CYS A 78 179.735 5.909 -6.215 1.00 0.00 C ATOM 1245 C CYS A 78 180.905 6.879 -6.049 1.00 0.00 C ATOM 1246 O CYS A 78 180.713 8.092 -6.051 1.00 0.00 O ATOM 1247 CB CYS A 78 179.190 5.501 -4.844 1.00 0.00 C ATOM 1248 SG CYS A 78 177.395 5.294 -4.797 1.00 0.00 S ATOM 0 H CYS A 78 180.037 3.849 -6.467 1.00 0.00 H new ATOM 0 HA CYS A 78 178.949 6.419 -6.772 1.00 0.00 H new ATOM 0 HB2 CYS A 78 179.661 4.566 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.478 6.255 -4.111 1.00 0.00 H new ATOM 0 HG CYS A 78 176.821 6.455 -4.907 1.00 0.00 H new ATOM 1254 N TYR A 79 182.117 6.338 -5.911 1.00 0.00 N ATOM 1255 CA TYR A 79 183.318 7.162 -5.752 1.00 0.00 C ATOM 1256 C TYR A 79 183.525 8.079 -6.961 1.00 0.00 C ATOM 1257 O TYR A 79 183.993 9.209 -6.819 1.00 0.00 O ATOM 1258 CB TYR A 79 184.547 6.270 -5.557 1.00 0.00 C ATOM 1259 CG TYR A 79 185.829 7.033 -5.293 1.00 0.00 C ATOM 1260 CD1 TYR A 79 186.605 7.513 -6.342 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.266 7.265 -3.995 1.00 0.00 C ATOM 1262 CE1 TYR A 79 187.777 8.204 -6.104 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.438 7.955 -3.749 1.00 0.00 C ATOM 1264 CZ TYR A 79 188.190 8.422 -4.806 1.00 0.00 C ATOM 1265 OH TYR A 79 189.360 9.106 -4.565 1.00 0.00 O ATOM 0 H TYR A 79 182.293 5.333 -5.906 1.00 0.00 H new ATOM 0 HA TYR A 79 183.183 7.787 -4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.362 5.592 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.680 5.654 -6.446 1.00 0.00 H new ATOM 0 HD1 TYR A 79 186.286 7.343 -7.360 1.00 0.00 H new ATOM 0 HD2 TYR A 79 185.680 6.900 -3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 79 188.367 8.572 -6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 79 187.763 8.128 -2.734 1.00 0.00 H new ATOM 0 HH TYR A 79 189.506 9.174 -3.598 1.00 0.00 H new ATOM 1275 N LYS A 80 183.171 7.585 -8.147 1.00 0.00 N ATOM 1276 CA LYS A 80 183.315 8.359 -9.378 1.00 0.00 C ATOM 1277 C LYS A 80 182.286 9.489 -9.434 1.00 0.00 C ATOM 1278 O LYS A 80 182.577 10.577 -9.933 1.00 0.00 O ATOM 1279 CB LYS A 80 183.171 7.447 -10.602 1.00 0.00 C ATOM 1280 CG LYS A 80 183.508 8.128 -11.921 1.00 0.00 C ATOM 1281 CD LYS A 80 183.261 7.207 -13.108 1.00 0.00 C ATOM 1282 CE LYS A 80 184.536 6.496 -13.545 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.838 5.307 -12.696 1.00 0.00 N ATOM 0 H LYS A 80 182.782 6.652 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 80 184.311 8.803 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.820 6.580 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.147 7.075 -10.647 1.00 0.00 H new ATOM 0 HG2 LYS A 80 182.906 9.031 -12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.552 8.440 -11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 80 182.505 6.468 -12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.863 7.786 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 80 184.437 6.182 -14.584 1.00 0.00 H new ATOM 0 HE3 LYS A 80 185.372 7.194 -13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 185.525 4.698 -13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.237 5.621 -11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 183.963 4.773 -12.523 1.00 0.00 H new ATOM 1297 N TYR A 81 181.085 9.225 -8.918 1.00 0.00 N ATOM 1298 CA TYR A 81 180.016 10.222 -8.908 1.00 0.00 C ATOM 1299 C TYR A 81 180.158 11.180 -7.721 1.00 0.00 C ATOM 1300 O TYR A 81 179.945 12.385 -7.862 1.00 0.00 O ATOM 1301 CB TYR A 81 178.648 9.535 -8.861 1.00 0.00 C ATOM 1302 CG TYR A 81 177.525 10.370 -9.440 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.080 11.518 -8.793 1.00 0.00 C ATOM 1304 CD2 TYR A 81 176.910 10.010 -10.632 1.00 0.00 C ATOM 1305 CE1 TYR A 81 176.056 12.281 -9.319 1.00 0.00 C ATOM 1306 CE2 TYR A 81 175.885 10.768 -11.163 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.461 11.902 -10.503 1.00 0.00 C ATOM 1308 OH TYR A 81 174.439 12.658 -11.029 1.00 0.00 O ATOM 0 H TYR A 81 180.829 8.330 -8.502 1.00 0.00 H new ATOM 0 HA TYR A 81 180.096 10.803 -9.827 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.706 8.593 -9.406 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.410 9.290 -7.826 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.543 11.818 -7.864 1.00 0.00 H new ATOM 0 HD2 TYR A 81 177.239 9.123 -11.152 1.00 0.00 H new ATOM 0 HE1 TYR A 81 175.723 13.171 -8.805 1.00 0.00 H new ATOM 0 HE2 TYR A 81 175.418 10.474 -12.091 1.00 0.00 H new ATOM 0 HH TYR A 81 174.131 12.254 -11.867 1.00 0.00 H new ATOM 1318 N ASN A 82 180.514 10.638 -6.553 1.00 0.00 N ATOM 1319 CA ASN A 82 180.676 11.448 -5.344 1.00 0.00 C ATOM 1320 C ASN A 82 181.901 12.357 -5.451 1.00 0.00 C ATOM 1321 O ASN A 82 183.032 11.874 -5.543 1.00 0.00 O ATOM 1322 CB ASN A 82 180.802 10.552 -4.105 1.00 0.00 C ATOM 1323 CG ASN A 82 179.455 10.197 -3.494 1.00 0.00 C ATOM 1324 OD1 ASN A 82 178.407 10.630 -3.973 1.00 0.00 O ATOM 1325 ND2 ASN A 82 179.476 9.403 -2.426 1.00 0.00 N ATOM 0 H ASN A 82 180.695 9.643 -6.420 1.00 0.00 H new ATOM 0 HA ASN A 82 179.788 12.072 -5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.325 9.635 -4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.413 11.058 -3.357 1.00 0.00 H new ATOM 0 HD21 ASN A 82 178.602 9.133 -1.974 1.00 0.00 H new ATOM 0 HD22 ASN A 82 180.366 9.065 -2.059 1.00 0.00 H new ATOM 1332 N PRO A 83 181.690 13.691 -5.439 1.00 0.00 N ATOM 1333 CA PRO A 83 182.782 14.675 -5.534 1.00 0.00 C ATOM 1334 C PRO A 83 183.856 14.465 -4.466 1.00 0.00 C ATOM 1335 O PRO A 83 183.577 13.929 -3.392 1.00 0.00 O ATOM 1336 CB PRO A 83 182.075 16.017 -5.315 1.00 0.00 C ATOM 1337 CG PRO A 83 180.662 15.771 -5.711 1.00 0.00 C ATOM 1338 CD PRO A 83 180.371 14.347 -5.331 1.00 0.00 C ATOM 0 HA PRO A 83 183.308 14.601 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 83 182.145 16.336 -4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.524 16.804 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 83 179.988 16.458 -5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 83 180.523 15.926 -6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 83 179.967 14.275 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 83 179.640 13.893 -6.000 1.00 0.00 H new ATOM 1346 N PRO A 84 185.104 14.891 -4.744 1.00 0.00 N ATOM 1347 CA PRO A 84 186.216 14.750 -3.797 1.00 0.00 C ATOM 1348 C PRO A 84 186.090 15.708 -2.614 1.00 0.00 C ATOM 1349 O PRO A 84 185.751 16.880 -2.789 1.00 0.00 O ATOM 1350 CB PRO A 84 187.445 15.093 -4.638 1.00 0.00 C ATOM 1351 CG PRO A 84 186.934 15.998 -5.705 1.00 0.00 C ATOM 1352 CD PRO A 84 185.527 15.548 -5.997 1.00 0.00 C ATOM 0 HA PRO A 84 186.254 13.755 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.211 15.583 -4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 84 187.897 14.196 -5.062 1.00 0.00 H new ATOM 0 HG2 PRO A 84 186.950 17.037 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.556 15.937 -6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 84 184.881 16.390 -6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.494 14.860 -6.841 1.00 0.00 H new ATOM 1360 N ASP A 85 186.362 15.196 -1.411 1.00 0.00 N ATOM 1361 CA ASP A 85 186.280 15.993 -0.186 1.00 0.00 C ATOM 1362 C ASP A 85 184.874 16.576 -0.002 1.00 0.00 C ATOM 1363 O ASP A 85 184.691 17.795 0.029 1.00 0.00 O ATOM 1364 CB ASP A 85 187.328 17.115 -0.200 1.00 0.00 C ATOM 1365 CG ASP A 85 187.771 17.511 1.196 1.00 0.00 C ATOM 1366 OD1 ASP A 85 186.965 18.128 1.924 1.00 0.00 O ATOM 1367 OD2 ASP A 85 188.922 17.199 1.564 1.00 0.00 O ATOM 0 H ASP A 85 186.642 14.227 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 85 186.487 15.335 0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.195 16.791 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 85 186.916 17.987 -0.708 1.00 0.00 H new ATOM 1372 N HIS A 86 183.884 15.692 0.116 1.00 0.00 N ATOM 1373 CA HIS A 86 182.498 16.108 0.293 1.00 0.00 C ATOM 1374 C HIS A 86 181.878 15.433 1.515 1.00 0.00 C ATOM 1375 O HIS A 86 182.258 14.317 1.876 1.00 0.00 O ATOM 1376 CB HIS A 86 181.689 15.772 -0.961 1.00 0.00 C ATOM 1377 CG HIS A 86 180.643 16.791 -1.291 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.315 16.644 -0.952 1.00 0.00 N ATOM 1379 CD2 HIS A 86 180.735 17.980 -1.933 1.00 0.00 C ATOM 1380 CE1 HIS A 86 178.636 17.695 -1.373 1.00 0.00 C ATOM 1381 NE2 HIS A 86 179.474 18.522 -1.971 1.00 0.00 N ATOM 0 H HIS A 86 184.019 14.681 0.092 1.00 0.00 H new ATOM 0 HA HIS A 86 182.480 17.186 0.454 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.369 15.675 -1.807 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.210 14.803 -0.825 1.00 0.00 H new ATOM 0 HD2 HIS A 86 181.634 18.420 -2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 86 177.575 17.852 -1.249 1.00 0.00 H new ATOM 0 HE2 HIS A 86 179.225 19.417 -2.392 1.00 0.00 H new ATOM 1390 N GLU A 87 180.921 16.117 2.149 1.00 0.00 N ATOM 1391 CA GLU A 87 180.246 15.585 3.335 1.00 0.00 C ATOM 1392 C GLU A 87 179.606 14.226 3.048 1.00 0.00 C ATOM 1393 O GLU A 87 179.722 13.298 3.850 1.00 0.00 O ATOM 1394 CB GLU A 87 179.183 16.569 3.832 1.00 0.00 C ATOM 1395 CG GLU A 87 179.716 17.579 4.837 1.00 0.00 C ATOM 1396 CD GLU A 87 179.756 17.027 6.249 1.00 0.00 C ATOM 1397 OE1 GLU A 87 180.531 16.077 6.495 1.00 0.00 O ATOM 1398 OE2 GLU A 87 179.012 17.542 7.109 1.00 0.00 O ATOM 0 H GLU A 87 180.597 17.040 1.860 1.00 0.00 H new ATOM 0 HA GLU A 87 180.999 15.450 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.766 17.103 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 87 178.366 16.010 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 87 180.719 17.886 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 87 179.091 18.472 4.817 1.00 0.00 H new ATOM 1405 N VAL A 88 178.938 14.114 1.898 1.00 0.00 N ATOM 1406 CA VAL A 88 178.286 12.863 1.505 1.00 0.00 C ATOM 1407 C VAL A 88 179.302 11.726 1.377 1.00 0.00 C ATOM 1408 O VAL A 88 179.004 10.577 1.707 1.00 0.00 O ATOM 1409 CB VAL A 88 177.515 13.010 0.171 1.00 0.00 C ATOM 1410 CG1 VAL A 88 178.453 13.374 -0.974 1.00 0.00 C ATOM 1411 CG2 VAL A 88 176.750 11.732 -0.147 1.00 0.00 C ATOM 0 H VAL A 88 178.834 14.872 1.224 1.00 0.00 H new ATOM 0 HA VAL A 88 177.574 12.623 2.294 1.00 0.00 H new ATOM 0 HB VAL A 88 176.799 13.824 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 88 177.881 13.470 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 88 178.947 14.320 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 88 179.203 12.592 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 88 176.214 11.854 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 88 177.450 10.901 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 88 176.038 11.526 0.652 1.00 0.00 H new ATOM 1421 N VAL A 89 180.503 12.055 0.900 1.00 0.00 N ATOM 1422 CA VAL A 89 181.561 11.063 0.733 1.00 0.00 C ATOM 1423 C VAL A 89 181.997 10.504 2.084 1.00 0.00 C ATOM 1424 O VAL A 89 182.137 9.290 2.243 1.00 0.00 O ATOM 1425 CB VAL A 89 182.790 11.653 0.008 1.00 0.00 C ATOM 1426 CG1 VAL A 89 183.777 10.553 -0.347 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.367 12.421 -1.238 1.00 0.00 C ATOM 0 H VAL A 89 180.766 13.001 0.623 1.00 0.00 H new ATOM 0 HA VAL A 89 181.149 10.261 0.121 1.00 0.00 H new ATOM 0 HB VAL A 89 183.283 12.352 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 89 184.637 10.987 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.109 10.054 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 89 183.294 9.828 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.250 12.827 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 89 181.846 11.749 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 89 181.702 13.237 -0.954 1.00 0.00 H new ATOM 1437 N ALA A 90 182.200 11.393 3.058 1.00 0.00 N ATOM 1438 CA ALA A 90 182.607 10.980 4.400 1.00 0.00 C ATOM 1439 C ALA A 90 181.583 10.024 5.007 1.00 0.00 C ATOM 1440 O ALA A 90 181.947 9.056 5.678 1.00 0.00 O ATOM 1441 CB ALA A 90 182.800 12.193 5.300 1.00 0.00 C ATOM 0 H ALA A 90 182.089 12.400 2.942 1.00 0.00 H new ATOM 0 HA ALA A 90 183.559 10.456 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.103 11.864 6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.572 12.838 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.864 12.746 5.370 1.00 0.00 H new ATOM 1447 N MET A 91 180.301 10.299 4.758 1.00 0.00 N ATOM 1448 CA MET A 91 179.221 9.460 5.270 1.00 0.00 C ATOM 1449 C MET A 91 179.329 8.041 4.720 1.00 0.00 C ATOM 1450 O MET A 91 179.220 7.070 5.469 1.00 0.00 O ATOM 1451 CB MET A 91 177.858 10.051 4.901 1.00 0.00 C ATOM 1452 CG MET A 91 177.311 11.018 5.937 1.00 0.00 C ATOM 1453 SD MET A 91 176.586 12.494 5.197 1.00 0.00 S ATOM 1454 CE MET A 91 175.538 11.766 3.939 1.00 0.00 C ATOM 0 H MET A 91 179.988 11.097 4.205 1.00 0.00 H new ATOM 0 HA MET A 91 179.312 9.425 6.356 1.00 0.00 H new ATOM 0 HB2 MET A 91 177.942 10.567 3.944 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.145 9.238 4.763 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.557 10.511 6.539 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.114 11.312 6.613 1.00 0.00 H new ATOM 0 HE1 MET A 91 175.008 12.555 3.406 1.00 0.00 H new ATOM 0 HE2 MET A 91 176.151 11.202 3.236 1.00 0.00 H new ATOM 0 HE3 MET A 91 174.817 11.097 4.409 1.00 0.00 H new ATOM 1464 N ALA A 92 179.548 7.931 3.407 1.00 0.00 N ATOM 1465 CA ALA A 92 179.674 6.631 2.753 1.00 0.00 C ATOM 1466 C ALA A 92 180.775 5.799 3.402 1.00 0.00 C ATOM 1467 O ALA A 92 180.558 4.641 3.762 1.00 0.00 O ATOM 1468 CB ALA A 92 179.947 6.805 1.265 1.00 0.00 C ATOM 0 H ALA A 92 179.641 8.728 2.778 1.00 0.00 H new ATOM 0 HA ALA A 92 178.730 6.100 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.038 5.826 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.124 7.353 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 92 180.875 7.361 1.128 1.00 0.00 H new ATOM 1474 N ARG A 93 181.954 6.402 3.559 1.00 0.00 N ATOM 1475 CA ARG A 93 183.089 5.720 4.176 1.00 0.00 C ATOM 1476 C ARG A 93 182.739 5.268 5.595 1.00 0.00 C ATOM 1477 O ARG A 93 183.089 4.161 6.003 1.00 0.00 O ATOM 1478 CB ARG A 93 184.320 6.633 4.197 1.00 0.00 C ATOM 1479 CG ARG A 93 184.902 6.903 2.816 1.00 0.00 C ATOM 1480 CD ARG A 93 185.144 8.388 2.592 1.00 0.00 C ATOM 1481 NE ARG A 93 186.375 8.852 3.233 1.00 0.00 N ATOM 1482 CZ ARG A 93 186.732 10.137 3.322 1.00 0.00 C ATOM 1483 NH1 ARG A 93 185.954 11.091 2.817 1.00 0.00 N ATOM 1484 NH2 ARG A 93 187.870 10.470 3.921 1.00 0.00 N ATOM 0 H ARG A 93 182.146 7.360 3.267 1.00 0.00 H new ATOM 0 HA ARG A 93 183.322 4.838 3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.050 7.582 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.088 6.179 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 93 185.840 6.360 2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 93 184.221 6.525 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 93 185.196 8.588 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 93 184.298 8.955 2.981 1.00 0.00 H new ATOM 0 HE ARG A 93 186.998 8.153 3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 93 185.077 10.844 2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 93 186.234 12.069 2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 93 188.471 9.745 4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 93 188.143 11.451 3.989 1.00 0.00 H new ATOM 1498 N LYS A 94 182.036 6.129 6.337 1.00 0.00 N ATOM 1499 CA LYS A 94 181.628 5.810 7.705 1.00 0.00 C ATOM 1500 C LYS A 94 180.702 4.593 7.731 1.00 0.00 C ATOM 1501 O LYS A 94 180.838 3.723 8.592 1.00 0.00 O ATOM 1502 CB LYS A 94 180.929 7.010 8.351 1.00 0.00 C ATOM 1503 CG LYS A 94 181.011 7.020 9.872 1.00 0.00 C ATOM 1504 CD LYS A 94 181.635 8.308 10.390 1.00 0.00 C ATOM 1505 CE LYS A 94 182.081 8.176 11.840 1.00 0.00 C ATOM 1506 NZ LYS A 94 183.284 7.305 11.984 1.00 0.00 N ATOM 0 H LYS A 94 181.739 7.049 6.013 1.00 0.00 H new ATOM 0 HA LYS A 94 182.527 5.574 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 94 181.373 7.928 7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 94 179.881 7.013 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 94 180.012 6.904 10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 94 181.600 6.168 10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 94 182.491 8.573 9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 94 180.915 9.121 10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 94 182.301 9.165 12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 94 181.264 7.765 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 183.691 7.430 12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 183.010 6.310 11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 183.990 7.567 11.267 1.00 0.00 H new ATOM 1520 N LEU A 95 179.764 4.536 6.779 1.00 0.00 N ATOM 1521 CA LEU A 95 178.820 3.419 6.691 1.00 0.00 C ATOM 1522 C LEU A 95 179.559 2.098 6.479 1.00 0.00 C ATOM 1523 O LEU A 95 179.214 1.081 7.081 1.00 0.00 O ATOM 1524 CB LEU A 95 177.818 3.640 5.550 1.00 0.00 C ATOM 1525 CG LEU A 95 176.885 4.845 5.716 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.602 5.492 4.368 1.00 0.00 C ATOM 1527 CD2 LEU A 95 175.586 4.428 6.390 1.00 0.00 C ATOM 0 H LEU A 95 179.639 5.249 6.061 1.00 0.00 H new ATOM 0 HA LEU A 95 178.275 3.371 7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.373 3.758 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 95 177.209 2.742 5.446 1.00 0.00 H new ATOM 0 HG LEU A 95 177.382 5.577 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.938 6.345 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.538 5.829 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.127 4.766 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 95 174.937 5.297 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 95 175.085 3.675 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 95 175.804 4.012 7.374 1.00 0.00 H new ATOM 1539 N GLN A 96 180.582 2.124 5.622 1.00 0.00 N ATOM 1540 CA GLN A 96 181.376 0.932 5.335 1.00 0.00 C ATOM 1541 C GLN A 96 182.231 0.543 6.540 1.00 0.00 C ATOM 1542 O GLN A 96 182.348 -0.638 6.868 1.00 0.00 O ATOM 1543 CB GLN A 96 182.273 1.167 4.116 1.00 0.00 C ATOM 1544 CG GLN A 96 182.965 -0.091 3.609 1.00 0.00 C ATOM 1545 CD GLN A 96 184.471 -0.048 3.794 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.040 -0.860 4.522 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.126 0.901 3.132 1.00 0.00 N ATOM 0 H GLN A 96 180.878 2.958 5.116 1.00 0.00 H new ATOM 0 HA GLN A 96 180.688 0.115 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 96 181.672 1.589 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.030 1.909 4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 96 182.563 -0.958 4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 96 182.737 -0.225 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 96 184.615 1.554 2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.140 0.976 3.218 1.00 0.00 H new ATOM 1556 N ASP A 97 182.829 1.542 7.193 1.00 0.00 N ATOM 1557 CA ASP A 97 183.679 1.302 8.360 1.00 0.00 C ATOM 1558 C ASP A 97 182.895 0.629 9.488 1.00 0.00 C ATOM 1559 O ASP A 97 183.362 -0.346 10.079 1.00 0.00 O ATOM 1560 CB ASP A 97 184.289 2.618 8.858 1.00 0.00 C ATOM 1561 CG ASP A 97 185.556 2.401 9.662 1.00 0.00 C ATOM 1562 OD1 ASP A 97 186.570 1.976 9.069 1.00 0.00 O ATOM 1563 OD2 ASP A 97 185.535 2.657 10.884 1.00 0.00 O ATOM 0 H ASP A 97 182.740 2.524 6.933 1.00 0.00 H new ATOM 0 HA ASP A 97 184.481 0.630 8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 97 184.509 3.259 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 97 183.558 3.144 9.472 1.00 0.00 H new ATOM 1568 N VAL A 98 181.701 1.150 9.779 1.00 0.00 N ATOM 1569 CA VAL A 98 180.854 0.590 10.831 1.00 0.00 C ATOM 1570 C VAL A 98 180.366 -0.812 10.455 1.00 0.00 C ATOM 1571 O VAL A 98 180.363 -1.718 11.290 1.00 0.00 O ATOM 1572 CB VAL A 98 179.648 1.508 11.158 1.00 0.00 C ATOM 1573 CG1 VAL A 98 178.742 1.694 9.948 1.00 0.00 C ATOM 1574 CG2 VAL A 98 178.862 0.961 12.342 1.00 0.00 C ATOM 0 H VAL A 98 181.301 1.957 9.301 1.00 0.00 H new ATOM 0 HA VAL A 98 181.469 0.519 11.728 1.00 0.00 H new ATOM 0 HB VAL A 98 180.042 2.488 11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 98 177.908 2.343 10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.309 2.147 9.135 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.360 0.725 9.627 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.020 1.620 12.555 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.491 -0.036 12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.511 0.907 13.216 1.00 0.00 H new ATOM 1584 N PHE A 99 179.961 -0.986 9.195 1.00 0.00 N ATOM 1585 CA PHE A 99 179.480 -2.280 8.712 1.00 0.00 C ATOM 1586 C PHE A 99 180.599 -3.321 8.741 1.00 0.00 C ATOM 1587 O PHE A 99 180.398 -4.435 9.221 1.00 0.00 O ATOM 1588 CB PHE A 99 178.919 -2.150 7.290 1.00 0.00 C ATOM 1589 CG PHE A 99 177.595 -2.840 7.086 1.00 0.00 C ATOM 1590 CD1 PHE A 99 176.544 -2.636 7.968 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.401 -3.692 6.010 1.00 0.00 C ATOM 1592 CE1 PHE A 99 175.329 -3.268 7.780 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.188 -4.326 5.818 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.151 -4.114 6.704 1.00 0.00 C ATOM 0 H PHE A 99 179.957 -0.247 8.492 1.00 0.00 H new ATOM 0 HA PHE A 99 178.681 -2.611 9.376 1.00 0.00 H new ATOM 0 HB2 PHE A 99 178.806 -1.093 7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 99 179.643 -2.561 6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 99 176.677 -1.975 8.812 1.00 0.00 H new ATOM 0 HD2 PHE A 99 178.208 -3.863 5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 99 174.519 -3.100 8.475 1.00 0.00 H new ATOM 0 HE2 PHE A 99 176.052 -4.987 4.975 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.203 -4.609 6.556 1.00 0.00 H new ATOM 1604 N GLU A 100 181.777 -2.953 8.232 1.00 0.00 N ATOM 1605 CA GLU A 100 182.923 -3.864 8.210 1.00 0.00 C ATOM 1606 C GLU A 100 183.316 -4.283 9.626 1.00 0.00 C ATOM 1607 O GLU A 100 183.538 -5.466 9.892 1.00 0.00 O ATOM 1608 CB GLU A 100 184.121 -3.211 7.510 1.00 0.00 C ATOM 1609 CG GLU A 100 184.912 -4.171 6.634 1.00 0.00 C ATOM 1610 CD GLU A 100 185.530 -5.311 7.422 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.327 -5.036 8.343 1.00 0.00 O ATOM 1612 OE2 GLU A 100 185.214 -6.480 7.119 1.00 0.00 O ATOM 0 H GLU A 100 181.962 -2.034 7.831 1.00 0.00 H new ATOM 0 HA GLU A 100 182.629 -4.753 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 100 183.766 -2.382 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 100 184.786 -2.789 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.256 -4.580 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.700 -3.621 6.120 1.00 0.00 H new ATOM 1619 N MET A 101 183.395 -3.306 10.528 1.00 0.00 N ATOM 1620 CA MET A 101 183.759 -3.569 11.918 1.00 0.00 C ATOM 1621 C MET A 101 182.765 -4.530 12.571 1.00 0.00 C ATOM 1622 O MET A 101 183.163 -5.506 13.210 1.00 0.00 O ATOM 1623 CB MET A 101 183.819 -2.257 12.707 1.00 0.00 C ATOM 1624 CG MET A 101 185.229 -1.723 12.900 1.00 0.00 C ATOM 1625 SD MET A 101 185.521 -1.143 14.582 1.00 0.00 S ATOM 1626 CE MET A 101 187.310 -1.096 14.621 1.00 0.00 C ATOM 0 H MET A 101 183.212 -2.324 10.320 1.00 0.00 H new ATOM 0 HA MET A 101 184.744 -4.036 11.929 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.223 -1.505 12.190 1.00 0.00 H new ATOM 0 HB3 MET A 101 183.361 -2.410 13.684 1.00 0.00 H new ATOM 0 HG2 MET A 101 185.947 -2.507 12.659 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.403 -0.905 12.201 1.00 0.00 H new ATOM 0 HE1 MET A 101 187.644 -0.755 15.601 1.00 0.00 H new ATOM 0 HE2 MET A 101 187.704 -2.094 14.430 1.00 0.00 H new ATOM 0 HE3 MET A 101 187.673 -0.410 13.855 1.00 0.00 H new ATOM 1636 N ARG A 102 181.472 -4.253 12.394 1.00 0.00 N ATOM 1637 CA ARG A 102 180.419 -5.098 12.954 1.00 0.00 C ATOM 1638 C ARG A 102 180.405 -6.466 12.267 1.00 0.00 C ATOM 1639 O ARG A 102 180.196 -7.491 12.917 1.00 0.00 O ATOM 1640 CB ARG A 102 179.051 -4.421 12.805 1.00 0.00 C ATOM 1641 CG ARG A 102 178.944 -3.077 13.516 1.00 0.00 C ATOM 1642 CD ARG A 102 178.098 -3.170 14.779 1.00 0.00 C ATOM 1643 NE ARG A 102 177.423 -1.907 15.086 1.00 0.00 N ATOM 1644 CZ ARG A 102 176.854 -1.627 16.264 1.00 0.00 C ATOM 1645 NH1 ARG A 102 176.869 -2.517 17.255 1.00 0.00 N ATOM 1646 NH2 ARG A 102 176.265 -0.451 16.453 1.00 0.00 N ATOM 0 H ARG A 102 181.130 -3.450 11.867 1.00 0.00 H new ATOM 0 HA ARG A 102 180.625 -5.242 14.015 1.00 0.00 H new ATOM 0 HB2 ARG A 102 178.842 -4.277 11.745 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.282 -5.089 13.194 1.00 0.00 H new ATOM 0 HG2 ARG A 102 179.942 -2.721 13.773 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.508 -2.342 12.840 1.00 0.00 H new ATOM 0 HD2 ARG A 102 177.354 -3.958 14.659 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.732 -3.455 15.619 1.00 0.00 H new ATOM 0 HE ARG A 102 177.384 -1.196 14.356 1.00 0.00 H new ATOM 0 HH11 ARG A 102 177.318 -3.423 17.120 1.00 0.00 H new ATOM 0 HH12 ARG A 102 176.432 -2.292 18.149 1.00 0.00 H new ATOM 0 HH21 ARG A 102 176.247 0.237 15.700 1.00 0.00 H new ATOM 0 HH22 ARG A 102 175.831 -0.236 17.351 1.00 0.00 H new ATOM 1660 N PHE A 103 180.633 -6.470 10.949 1.00 0.00 N ATOM 1661 CA PHE A 103 180.654 -7.707 10.166 1.00 0.00 C ATOM 1662 C PHE A 103 181.710 -8.674 10.698 1.00 0.00 C ATOM 1663 O PHE A 103 181.422 -9.844 10.946 1.00 0.00 O ATOM 1664 CB PHE A 103 180.938 -7.407 8.690 1.00 0.00 C ATOM 1665 CG PHE A 103 179.744 -7.567 7.788 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.911 -8.671 7.901 1.00 0.00 C ATOM 1667 CD2 PHE A 103 179.460 -6.616 6.821 1.00 0.00 C ATOM 1668 CE1 PHE A 103 177.818 -8.819 7.068 1.00 0.00 C ATOM 1669 CE2 PHE A 103 178.369 -6.761 5.987 1.00 0.00 C ATOM 1670 CZ PHE A 103 177.547 -7.863 6.110 1.00 0.00 C ATOM 0 H PHE A 103 180.806 -5.627 10.402 1.00 0.00 H new ATOM 0 HA PHE A 103 179.672 -8.171 10.257 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.311 -6.386 8.603 1.00 0.00 H new ATOM 0 HB3 PHE A 103 181.733 -8.067 8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 103 179.119 -9.423 8.648 1.00 0.00 H new ATOM 0 HD2 PHE A 103 180.099 -5.752 6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 103 177.176 -9.682 7.167 1.00 0.00 H new ATOM 0 HE2 PHE A 103 178.159 -6.012 5.238 1.00 0.00 H new ATOM 0 HZ PHE A 103 176.694 -7.977 5.458 1.00 0.00 H new ATOM 1680 N ALA A 104 182.936 -8.175 10.869 1.00 0.00 N ATOM 1681 CA ALA A 104 184.037 -8.994 11.373 1.00 0.00 C ATOM 1682 C ALA A 104 183.737 -9.522 12.775 1.00 0.00 C ATOM 1683 O ALA A 104 184.112 -10.643 13.114 1.00 0.00 O ATOM 1684 CB ALA A 104 185.337 -8.201 11.374 1.00 0.00 C ATOM 0 H ALA A 104 183.190 -7.208 10.666 1.00 0.00 H new ATOM 0 HA ALA A 104 184.148 -9.849 10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.145 -8.827 11.752 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.570 -7.883 10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.228 -7.324 12.013 1.00 0.00 H new ATOM 1690 N LYS A 105 183.057 -8.709 13.587 1.00 0.00 N ATOM 1691 CA LYS A 105 182.707 -9.102 14.952 1.00 0.00 C ATOM 1692 C LYS A 105 181.606 -10.166 14.962 1.00 0.00 C ATOM 1693 O LYS A 105 181.692 -11.145 15.705 1.00 0.00 O ATOM 1694 CB LYS A 105 182.261 -7.880 15.764 1.00 0.00 C ATOM 1695 CG LYS A 105 182.897 -7.801 17.144 1.00 0.00 C ATOM 1696 CD LYS A 105 183.413 -6.402 17.446 1.00 0.00 C ATOM 1697 CE LYS A 105 184.683 -6.442 18.283 1.00 0.00 C ATOM 1698 NZ LYS A 105 184.670 -5.420 19.368 1.00 0.00 N ATOM 0 H LYS A 105 182.739 -7.777 13.323 1.00 0.00 H new ATOM 0 HA LYS A 105 183.598 -9.530 15.411 1.00 0.00 H new ATOM 0 HB2 LYS A 105 182.506 -6.975 15.208 1.00 0.00 H new ATOM 0 HB3 LYS A 105 181.177 -7.903 15.873 1.00 0.00 H new ATOM 0 HG2 LYS A 105 182.166 -8.090 17.899 1.00 0.00 H new ATOM 0 HG3 LYS A 105 183.719 -8.514 17.207 1.00 0.00 H new ATOM 0 HD2 LYS A 105 183.609 -5.876 16.511 1.00 0.00 H new ATOM 0 HD3 LYS A 105 182.646 -5.837 17.975 1.00 0.00 H new ATOM 0 HE2 LYS A 105 184.797 -7.434 18.721 1.00 0.00 H new ATOM 0 HE3 LYS A 105 185.547 -6.276 17.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 185.553 -5.482 19.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 184.587 -4.471 18.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 183.861 -5.593 19.998 1.00 0.00 H new ATOM 1712 N MET A 106 180.569 -9.964 14.143 1.00 0.00 N ATOM 1713 CA MET A 106 179.447 -10.906 14.066 1.00 0.00 C ATOM 1714 C MET A 106 179.863 -12.233 13.421 1.00 0.00 C ATOM 1715 O MET A 106 179.354 -13.293 13.791 1.00 0.00 O ATOM 1716 CB MET A 106 178.264 -10.287 13.301 1.00 0.00 C ATOM 1717 CG MET A 106 178.561 -9.948 11.846 1.00 0.00 C ATOM 1718 SD MET A 106 177.178 -10.317 10.750 1.00 0.00 S ATOM 1719 CE MET A 106 177.691 -11.895 10.077 1.00 0.00 C ATOM 0 H MET A 106 180.483 -9.158 13.524 1.00 0.00 H new ATOM 0 HA MET A 106 179.131 -11.117 15.088 1.00 0.00 H new ATOM 0 HB2 MET A 106 177.423 -10.980 13.335 1.00 0.00 H new ATOM 0 HB3 MET A 106 177.950 -9.379 13.816 1.00 0.00 H new ATOM 0 HG2 MET A 106 178.810 -8.890 11.767 1.00 0.00 H new ATOM 0 HG3 MET A 106 179.438 -10.507 11.519 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.936 -12.255 9.378 1.00 0.00 H new ATOM 0 HE2 MET A 106 178.641 -11.777 9.555 1.00 0.00 H new ATOM 0 HE3 MET A 106 177.809 -12.615 10.887 1.00 0.00 H new ATOM 1729 N LEU A 107 180.785 -12.172 12.458 1.00 0.00 N ATOM 1730 CA LEU A 107 181.259 -13.374 11.770 1.00 0.00 C ATOM 1731 C LEU A 107 182.385 -14.045 12.557 1.00 0.00 C ATOM 1732 O LEU A 107 182.427 -15.272 12.670 1.00 0.00 O ATOM 1733 CB LEU A 107 181.746 -13.030 10.358 1.00 0.00 C ATOM 1734 CG LEU A 107 181.026 -13.760 9.220 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.135 -12.962 7.929 1.00 0.00 C ATOM 1736 CD2 LEU A 107 181.593 -15.163 9.027 1.00 0.00 C ATOM 0 H LEU A 107 181.217 -11.305 12.138 1.00 0.00 H new ATOM 0 HA LEU A 107 180.422 -14.069 11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 107 181.636 -11.956 10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 107 182.811 -13.254 10.294 1.00 0.00 H new ATOM 0 HG LEU A 107 179.973 -13.854 9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 107 180.619 -13.492 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 107 180.679 -11.982 8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.185 -12.839 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.065 -15.660 8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 107 182.654 -15.097 8.784 1.00 0.00 H new ATOM 0 HD23 LEU A 107 181.466 -15.736 9.945 1.00 0.00 H new ATOM 1748 N GLN A 108 183.296 -13.225 13.092 1.00 0.00 N ATOM 1749 CA GLN A 108 184.435 -13.713 13.869 1.00 0.00 C ATOM 1750 C GLN A 108 185.382 -14.540 12.996 1.00 0.00 C ATOM 1751 O GLN A 108 186.337 -13.952 12.450 1.00 0.00 O ATOM 1752 CB GLN A 108 183.961 -14.527 15.080 1.00 0.00 C ATOM 1753 CG GLN A 108 184.987 -14.595 16.202 1.00 0.00 C ATOM 1754 CD GLN A 108 185.042 -15.955 16.869 1.00 0.00 C ATOM 1755 OE1 GLN A 108 185.150 -16.983 16.201 1.00 0.00 O ATOM 1756 NE2 GLN A 108 184.973 -15.970 18.196 1.00 0.00 N ATOM 0 H GLN A 108 183.263 -12.210 12.998 1.00 0.00 H new ATOM 0 HA GLN A 108 184.986 -12.847 14.236 1.00 0.00 H new ATOM 0 HB2 GLN A 108 183.041 -14.088 15.465 1.00 0.00 H new ATOM 0 HB3 GLN A 108 183.720 -15.540 14.756 1.00 0.00 H new ATOM 0 HG2 GLN A 108 185.972 -14.352 15.802 1.00 0.00 H new ATOM 0 HG3 GLN A 108 184.751 -13.838 16.950 1.00 0.00 H new ATOM 0 HE21 GLN A 108 184.884 -15.095 18.712 1.00 0.00 H new ATOM 0 HE22 GLN A 108 185.009 -16.857 18.699 1.00 0.00 H new