USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 856 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 NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 94 ASN : amide:sc= 0.996 K(o=2.4,f=0.95) USER MOD Set 1.2: A 98 SER OG : rot 117:sc= 1.39 USER MOD Set 2.1: A 1 MET CE :methyl 140:sc= -0.211 (180deg=0) USER MOD Set 2.2: A 76 GLN : amide:sc= -0.315 K(o=-0.53,f=-3.4) USER MOD Set 3.1: A 64 SER OG : rot 90:sc= 0.248 USER MOD Set 3.2: A 69 ASN : amide:sc= 0.293 X(o=0.54,f=0.13) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.0749 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 1.11 (180deg=0.873) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.051) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= -0.0466 (180deg=-0.0509) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.0177 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0205) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 1.12 (180deg=0.636) USER MOD Single : A 36 THR OG1 : rot -38:sc= 0.174 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 43 HIS : no HE2:sc= -0.158 K(o=-0.16,f=-0.76) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 173:sc= -2.44 USER MOD Single : A 57 ASN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 61 TYR OH : rot 173:sc= -0.451 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -168:sc= 0 (180deg=-0.113) USER MOD Single : A 75 LYS NZ :NH3+ -132:sc= 2.05 (180deg=-1.54) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= 1.31 (180deg=0.891) USER MOD Single : A 86 SER OG : rot -34:sc= 0.257 USER MOD Single : A 87 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.054) USER MOD Single : A 91 TYR OH : rot 150:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc=0.000149 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.902) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.258 -1.754 7.900 1.00 22.40 N ATOM 2 CA MET A 1 -0.634 -1.374 6.609 1.00 23.44 C ATOM 3 C MET A 1 0.286 -2.478 6.112 1.00 63.05 C ATOM 4 O MET A 1 0.417 -3.517 6.759 1.00 10.22 O ATOM 5 CB MET A 1 0.167 -0.077 6.759 1.00 15.25 C ATOM 6 CG MET A 1 -0.682 1.181 6.807 1.00 40.22 C ATOM 7 SD MET A 1 -1.492 1.535 5.235 1.00 13.14 S ATOM 8 CE MET A 1 -2.204 3.139 5.585 1.00 21.13 C ATOM 0 H1 MET A 1 -2.257 -1.465 7.901 1.00 22.40 H new ATOM 0 H2 MET A 1 -1.196 -2.784 8.026 1.00 22.40 H new ATOM 0 H3 MET A 1 -0.759 -1.279 8.680 1.00 22.40 H new ATOM 0 HA MET A 1 -1.433 -1.221 5.884 1.00 23.44 H new ATOM 0 HB2 MET A 1 0.762 -0.135 7.671 1.00 15.25 H new ATOM 0 HB3 MET A 1 0.866 0.002 5.927 1.00 15.25 H new ATOM 0 HG2 MET A 1 -1.438 1.074 7.585 1.00 40.22 H new ATOM 0 HG3 MET A 1 -0.055 2.027 7.086 1.00 40.22 H new ATOM 0 HE1 MET A 1 -2.099 3.782 4.711 1.00 21.13 H new ATOM 0 HE2 MET A 1 -3.261 3.023 5.826 1.00 21.13 H new ATOM 0 HE3 MET A 1 -1.686 3.590 6.432 1.00 21.13 H new ATOM 18 N LYS A 2 0.902 -2.233 4.952 1.00 61.42 N ATOM 19 CA LYS A 2 1.911 -3.116 4.368 1.00 62.21 C ATOM 20 C LYS A 2 1.292 -4.369 3.761 1.00 73.12 C ATOM 21 O LYS A 2 0.695 -5.199 4.451 1.00 14.03 O ATOM 22 CB LYS A 2 3.008 -3.464 5.383 1.00 42.31 C ATOM 23 CG LYS A 2 3.788 -2.242 5.843 1.00 23.11 C ATOM 24 CD LYS A 2 4.363 -1.487 4.656 1.00 54.53 C ATOM 25 CE LYS A 2 4.908 -0.127 5.054 1.00 34.35 C ATOM 26 NZ LYS A 2 5.463 0.601 3.882 1.00 71.42 N ATOM 0 H LYS A 2 0.711 -1.406 4.387 1.00 61.42 H new ATOM 0 HA LYS A 2 2.381 -2.567 3.552 1.00 62.21 H new ATOM 0 HB2 LYS A 2 2.557 -3.949 6.248 1.00 42.31 H new ATOM 0 HB3 LYS A 2 3.696 -4.183 4.937 1.00 42.31 H new ATOM 0 HG2 LYS A 2 3.135 -1.584 6.416 1.00 23.11 H new ATOM 0 HG3 LYS A 2 4.594 -2.550 6.509 1.00 23.11 H new ATOM 0 HD2 LYS A 2 5.159 -2.077 4.202 1.00 54.53 H new ATOM 0 HD3 LYS A 2 3.589 -1.360 3.899 1.00 54.53 H new ATOM 0 HE2 LYS A 2 4.114 0.465 5.509 1.00 34.35 H new ATOM 0 HE3 LYS A 2 5.685 -0.252 5.808 1.00 34.35 H new ATOM 0 HZ1 LYS A 2 5.827 1.526 4.188 1.00 71.42 H new ATOM 0 HZ2 LYS A 2 6.236 0.046 3.463 1.00 71.42 H new ATOM 0 HZ3 LYS A 2 4.714 0.741 3.174 1.00 71.42 H new ATOM 40 N GLY A 3 1.444 -4.486 2.452 1.00 71.02 N ATOM 41 CA GLY A 3 0.860 -5.586 1.722 1.00 62.42 C ATOM 42 C GLY A 3 -0.315 -5.134 0.882 1.00 30.15 C ATOM 43 O GLY A 3 -0.335 -4.007 0.380 1.00 53.32 O ATOM 0 H GLY A 3 1.969 -3.828 1.877 1.00 71.02 H new ATOM 0 HA2 GLY A 3 1.615 -6.039 1.079 1.00 62.42 H new ATOM 0 HA3 GLY A 3 0.534 -6.356 2.422 1.00 62.42 H new ATOM 47 N ASP A 4 -1.298 -6.001 0.732 1.00 45.44 N ATOM 48 CA ASP A 4 -2.496 -5.661 -0.015 1.00 51.22 C ATOM 49 C ASP A 4 -3.726 -5.894 0.837 1.00 2.50 C ATOM 50 O ASP A 4 -3.828 -6.894 1.549 1.00 4.04 O ATOM 51 CB ASP A 4 -2.591 -6.468 -1.307 1.00 11.31 C ATOM 52 CG ASP A 4 -3.691 -5.948 -2.208 1.00 24.11 C ATOM 53 OD1 ASP A 4 -4.855 -6.355 -2.033 1.00 13.45 O ATOM 54 OD2 ASP A 4 -3.401 -5.106 -3.083 1.00 44.44 O ATOM 0 H ASP A 4 -1.292 -6.946 1.117 1.00 45.44 H new ATOM 0 HA ASP A 4 -2.439 -4.605 -0.280 1.00 51.22 H new ATOM 0 HB2 ASP A 4 -1.638 -6.426 -1.834 1.00 11.31 H new ATOM 0 HB3 ASP A 4 -2.778 -7.515 -1.070 1.00 11.31 H new ATOM 59 N ILE A 5 -4.659 -4.961 0.755 1.00 73.03 N ATOM 60 CA ILE A 5 -5.843 -4.974 1.598 1.00 4.52 C ATOM 61 C ILE A 5 -6.734 -6.186 1.309 1.00 5.44 C ATOM 62 O ILE A 5 -7.409 -6.694 2.205 1.00 62.02 O ATOM 63 CB ILE A 5 -6.645 -3.664 1.417 1.00 72.52 C ATOM 64 CG1 ILE A 5 -7.043 -3.087 2.775 1.00 71.52 C ATOM 65 CG2 ILE A 5 -7.872 -3.876 0.533 1.00 51.34 C ATOM 66 CD1 ILE A 5 -7.882 -4.011 3.624 1.00 51.21 C ATOM 0 H ILE A 5 -4.618 -4.176 0.105 1.00 73.03 H new ATOM 0 HA ILE A 5 -5.509 -5.050 2.633 1.00 4.52 H new ATOM 0 HB ILE A 5 -6.000 -2.945 0.912 1.00 72.52 H new ATOM 0 HG12 ILE A 5 -6.138 -2.829 3.326 1.00 71.52 H new ATOM 0 HG13 ILE A 5 -7.594 -2.160 2.615 1.00 71.52 H new ATOM 0 HG21 ILE A 5 -8.412 -2.935 0.428 1.00 51.34 H new ATOM 0 HG22 ILE A 5 -7.556 -4.225 -0.450 1.00 51.34 H new ATOM 0 HG23 ILE A 5 -8.525 -4.620 0.990 1.00 51.34 H new ATOM 0 HD11 ILE A 5 -8.119 -3.522 4.569 1.00 51.21 H new ATOM 0 HD12 ILE A 5 -8.806 -4.250 3.098 1.00 51.21 H new ATOM 0 HD13 ILE A 5 -7.328 -4.929 3.819 1.00 51.21 H new ATOM 78 N GLU A 6 -6.713 -6.663 0.072 1.00 24.11 N ATOM 79 CA GLU A 6 -7.585 -7.756 -0.324 1.00 24.43 C ATOM 80 C GLU A 6 -7.146 -9.042 0.351 1.00 43.23 C ATOM 81 O GLU A 6 -7.965 -9.899 0.664 1.00 60.34 O ATOM 82 CB GLU A 6 -7.609 -7.891 -1.845 1.00 63.42 C ATOM 83 CG GLU A 6 -8.380 -6.765 -2.517 1.00 45.23 C ATOM 84 CD GLU A 6 -7.788 -6.351 -3.845 1.00 25.22 C ATOM 85 OE1 GLU A 6 -7.727 -7.190 -4.765 1.00 41.11 O ATOM 86 OE2 GLU A 6 -7.358 -5.185 -3.968 1.00 23.24 O ATOM 0 H GLU A 6 -6.106 -6.312 -0.669 1.00 24.11 H new ATOM 0 HA GLU A 6 -8.603 -7.542 0.001 1.00 24.43 H new ATOM 0 HB2 GLU A 6 -6.586 -7.902 -2.222 1.00 63.42 H new ATOM 0 HB3 GLU A 6 -8.059 -8.847 -2.115 1.00 63.42 H new ATOM 0 HG2 GLU A 6 -9.413 -7.080 -2.669 1.00 45.23 H new ATOM 0 HG3 GLU A 6 -8.404 -5.902 -1.852 1.00 45.23 H new ATOM 93 N HIS A 7 -5.854 -9.145 0.615 1.00 73.13 N ATOM 94 CA HIS A 7 -5.330 -10.251 1.398 1.00 12.21 C ATOM 95 C HIS A 7 -5.867 -10.166 2.821 1.00 25.20 C ATOM 96 O HIS A 7 -6.339 -11.154 3.378 1.00 42.20 O ATOM 97 CB HIS A 7 -3.798 -10.216 1.406 1.00 55.33 C ATOM 98 CG HIS A 7 -3.162 -11.335 2.175 1.00 42.31 C ATOM 99 ND1 HIS A 7 -2.331 -11.147 3.257 1.00 71.21 N ATOM 100 CD2 HIS A 7 -3.233 -12.678 1.989 1.00 64.10 C ATOM 101 CE1 HIS A 7 -1.929 -12.349 3.683 1.00 3.02 C ATOM 102 NE2 HIS A 7 -2.449 -13.313 2.950 1.00 62.12 N ATOM 0 H HIS A 7 -5.150 -8.478 0.299 1.00 73.13 H new ATOM 0 HA HIS A 7 -5.651 -11.191 0.950 1.00 12.21 H new ATOM 0 HB2 HIS A 7 -3.440 -10.247 0.377 1.00 55.33 H new ATOM 0 HB3 HIS A 7 -3.470 -9.267 1.829 1.00 55.33 H new ATOM 0 HD2 HIS A 7 -3.805 -13.175 1.219 1.00 64.10 H new ATOM 0 HE1 HIS A 7 -1.264 -12.509 4.519 1.00 3.02 H new ATOM 0 HE2 HIS A 7 -2.307 -14.317 3.063 1.00 62.12 H new ATOM 110 N LYS A 8 -5.831 -8.957 3.376 1.00 12.43 N ATOM 111 CA LYS A 8 -6.213 -8.720 4.768 1.00 40.14 C ATOM 112 C LYS A 8 -7.674 -9.077 5.006 1.00 14.55 C ATOM 113 O LYS A 8 -8.004 -9.788 5.955 1.00 23.33 O ATOM 114 CB LYS A 8 -5.999 -7.247 5.140 1.00 4.33 C ATOM 115 CG LYS A 8 -4.708 -6.641 4.609 1.00 12.05 C ATOM 116 CD LYS A 8 -3.485 -7.387 5.104 1.00 22.12 C ATOM 117 CE LYS A 8 -2.209 -6.752 4.580 1.00 1.45 C ATOM 118 NZ LYS A 8 -0.999 -7.291 5.255 1.00 51.00 N ATOM 0 H LYS A 8 -5.538 -8.117 2.877 1.00 12.43 H new ATOM 0 HA LYS A 8 -5.583 -9.355 5.391 1.00 40.14 H new ATOM 0 HB2 LYS A 8 -6.840 -6.665 4.763 1.00 4.33 H new ATOM 0 HB3 LYS A 8 -6.008 -7.155 6.226 1.00 4.33 H new ATOM 0 HG2 LYS A 8 -4.723 -6.653 3.519 1.00 12.05 H new ATOM 0 HG3 LYS A 8 -4.645 -5.597 4.916 1.00 12.05 H new ATOM 0 HD2 LYS A 8 -3.473 -7.389 6.194 1.00 22.12 H new ATOM 0 HD3 LYS A 8 -3.535 -8.428 4.784 1.00 22.12 H new ATOM 0 HE2 LYS A 8 -2.132 -6.925 3.507 1.00 1.45 H new ATOM 0 HE3 LYS A 8 -2.255 -5.673 4.726 1.00 1.45 H new ATOM 0 HZ1 LYS A 8 -0.192 -6.660 5.076 1.00 51.00 H new ATOM 0 HZ2 LYS A 8 -1.171 -7.352 6.279 1.00 51.00 H new ATOM 0 HZ3 LYS A 8 -0.787 -8.239 4.882 1.00 51.00 H new ATOM 132 N VAL A 9 -8.539 -8.578 4.138 1.00 0.34 N ATOM 133 CA VAL A 9 -9.972 -8.762 4.300 1.00 5.11 C ATOM 134 C VAL A 9 -10.368 -10.229 4.177 1.00 54.12 C ATOM 135 O VAL A 9 -11.191 -10.714 4.950 1.00 4.14 O ATOM 136 CB VAL A 9 -10.772 -7.897 3.301 1.00 61.22 C ATOM 137 CG1 VAL A 9 -10.418 -8.231 1.862 1.00 42.13 C ATOM 138 CG2 VAL A 9 -12.273 -8.041 3.528 1.00 30.44 C ATOM 0 H VAL A 9 -8.273 -8.041 3.312 1.00 0.34 H new ATOM 0 HA VAL A 9 -10.222 -8.431 5.308 1.00 5.11 H new ATOM 0 HB VAL A 9 -10.495 -6.858 3.481 1.00 61.22 H new ATOM 0 HG11 VAL A 9 -11.001 -7.602 1.189 1.00 42.13 H new ATOM 0 HG12 VAL A 9 -9.356 -8.051 1.698 1.00 42.13 H new ATOM 0 HG13 VAL A 9 -10.643 -9.279 1.666 1.00 42.13 H new ATOM 0 HG21 VAL A 9 -12.811 -7.421 2.811 1.00 30.44 H new ATOM 0 HG22 VAL A 9 -12.563 -9.083 3.395 1.00 30.44 H new ATOM 0 HG23 VAL A 9 -12.520 -7.722 4.540 1.00 30.44 H new ATOM 148 N TYR A 10 -9.773 -10.945 3.232 1.00 44.43 N ATOM 149 CA TYR A 10 -10.071 -12.361 3.084 1.00 22.10 C ATOM 150 C TYR A 10 -9.518 -13.122 4.281 1.00 35.42 C ATOM 151 O TYR A 10 -10.147 -14.051 4.773 1.00 54.43 O ATOM 152 CB TYR A 10 -9.484 -12.943 1.788 1.00 1.03 C ATOM 153 CG TYR A 10 -9.906 -12.236 0.511 1.00 73.24 C ATOM 154 CD1 TYR A 10 -11.059 -11.464 0.453 1.00 0.12 C ATOM 155 CD2 TYR A 10 -9.134 -12.342 -0.640 1.00 3.11 C ATOM 156 CE1 TYR A 10 -11.430 -10.818 -0.712 1.00 5.31 C ATOM 157 CE2 TYR A 10 -9.496 -11.698 -1.808 1.00 35.34 C ATOM 158 CZ TYR A 10 -10.646 -10.938 -1.839 1.00 41.35 C ATOM 159 OH TYR A 10 -11.008 -10.293 -3.002 1.00 71.00 O ATOM 0 H TYR A 10 -9.093 -10.576 2.568 1.00 44.43 H new ATOM 0 HA TYR A 10 -11.154 -12.469 3.033 1.00 22.10 H new ATOM 0 HB2 TYR A 10 -8.396 -12.916 1.857 1.00 1.03 H new ATOM 0 HB3 TYR A 10 -9.773 -13.992 1.716 1.00 1.03 H new ATOM 0 HD1 TYR A 10 -11.677 -11.366 1.333 1.00 0.12 H new ATOM 0 HD2 TYR A 10 -8.234 -12.939 -0.621 1.00 3.11 H new ATOM 0 HE1 TYR A 10 -12.330 -10.222 -0.739 1.00 5.31 H new ATOM 0 HE2 TYR A 10 -8.882 -11.790 -2.691 1.00 35.34 H new ATOM 0 HH TYR A 10 -10.346 -10.481 -3.700 1.00 71.00 H new ATOM 169 N GLN A 11 -8.364 -12.668 4.768 1.00 50.40 N ATOM 170 CA GLN A 11 -7.638 -13.337 5.853 1.00 65.25 C ATOM 171 C GLN A 11 -8.525 -13.613 7.055 1.00 51.11 C ATOM 172 O GLN A 11 -8.654 -14.753 7.502 1.00 54.12 O ATOM 173 CB GLN A 11 -6.442 -12.492 6.299 1.00 25.20 C ATOM 174 CG GLN A 11 -5.152 -12.801 5.560 1.00 23.35 C ATOM 175 CD GLN A 11 -4.577 -14.153 5.932 1.00 54.20 C ATOM 176 OE1 GLN A 11 -3.799 -14.263 6.880 1.00 60.23 O ATOM 177 NE2 GLN A 11 -4.941 -15.188 5.189 1.00 44.13 N ATOM 0 H GLN A 11 -7.904 -11.826 4.423 1.00 50.40 H new ATOM 0 HA GLN A 11 -7.294 -14.292 5.457 1.00 65.25 H new ATOM 0 HB2 GLN A 11 -6.684 -11.438 6.160 1.00 25.20 H new ATOM 0 HB3 GLN A 11 -6.282 -12.644 7.366 1.00 25.20 H new ATOM 0 HG2 GLN A 11 -5.337 -12.772 4.486 1.00 23.35 H new ATOM 0 HG3 GLN A 11 -4.418 -12.025 5.778 1.00 23.35 H new ATOM 0 HE21 GLN A 11 -5.588 -15.055 4.412 1.00 44.13 H new ATOM 0 HE22 GLN A 11 -4.574 -16.117 5.394 1.00 44.13 H new ATOM 186 N LEU A 12 -9.141 -12.564 7.563 1.00 52.32 N ATOM 187 CA LEU A 12 -9.924 -12.659 8.781 1.00 3.04 C ATOM 188 C LEU A 12 -11.347 -13.106 8.498 1.00 4.00 C ATOM 189 O LEU A 12 -11.900 -13.913 9.234 1.00 44.51 O ATOM 190 CB LEU A 12 -9.896 -11.330 9.551 1.00 51.22 C ATOM 191 CG LEU A 12 -9.621 -10.065 8.726 1.00 10.34 C ATOM 192 CD1 LEU A 12 -10.870 -9.601 7.993 1.00 21.00 C ATOM 193 CD2 LEU A 12 -9.087 -8.960 9.622 1.00 22.13 C ATOM 0 H LEU A 12 -9.115 -11.632 7.150 1.00 52.32 H new ATOM 0 HA LEU A 12 -9.468 -13.423 9.411 1.00 3.04 H new ATOM 0 HB2 LEU A 12 -10.855 -11.207 10.054 1.00 51.22 H new ATOM 0 HB3 LEU A 12 -9.135 -11.402 10.328 1.00 51.22 H new ATOM 0 HG LEU A 12 -8.867 -10.307 7.977 1.00 10.34 H new ATOM 0 HD11 LEU A 12 -10.642 -8.703 7.418 1.00 21.00 H new ATOM 0 HD12 LEU A 12 -11.209 -10.387 7.319 1.00 21.00 H new ATOM 0 HD13 LEU A 12 -11.655 -9.379 8.716 1.00 21.00 H new ATOM 0 HD21 LEU A 12 -8.896 -8.068 9.025 1.00 22.13 H new ATOM 0 HD22 LEU A 12 -9.822 -8.730 10.393 1.00 22.13 H new ATOM 0 HD23 LEU A 12 -8.160 -9.288 10.091 1.00 22.13 H new ATOM 205 N LEU A 13 -11.926 -12.617 7.417 1.00 11.30 N ATOM 206 CA LEU A 13 -13.309 -12.947 7.084 1.00 52.12 C ATOM 207 C LEU A 13 -13.500 -14.435 6.832 1.00 11.41 C ATOM 208 O LEU A 13 -14.460 -15.028 7.324 1.00 12.33 O ATOM 209 CB LEU A 13 -13.788 -12.157 5.875 1.00 73.33 C ATOM 210 CG LEU A 13 -14.002 -10.673 6.127 1.00 15.31 C ATOM 211 CD1 LEU A 13 -14.674 -10.035 4.927 1.00 50.12 C ATOM 212 CD2 LEU A 13 -14.822 -10.471 7.388 1.00 54.24 C ATOM 0 H LEU A 13 -11.467 -11.992 6.754 1.00 11.30 H new ATOM 0 HA LEU A 13 -13.909 -12.671 7.951 1.00 52.12 H new ATOM 0 HB2 LEU A 13 -13.061 -12.274 5.071 1.00 73.33 H new ATOM 0 HB3 LEU A 13 -14.724 -12.590 5.523 1.00 73.33 H new ATOM 0 HG LEU A 13 -13.036 -10.189 6.272 1.00 15.31 H new ATOM 0 HD11 LEU A 13 -14.823 -8.972 5.116 1.00 50.12 H new ATOM 0 HD12 LEU A 13 -14.044 -10.162 4.047 1.00 50.12 H new ATOM 0 HD13 LEU A 13 -15.639 -10.512 4.754 1.00 50.12 H new ATOM 0 HD21 LEU A 13 -14.969 -9.405 7.559 1.00 54.24 H new ATOM 0 HD22 LEU A 13 -15.791 -10.958 7.274 1.00 54.24 H new ATOM 0 HD23 LEU A 13 -14.296 -10.906 8.238 1.00 54.24 H new ATOM 224 N LYS A 14 -12.603 -15.036 6.067 1.00 41.23 N ATOM 225 CA LYS A 14 -12.697 -16.468 5.788 1.00 33.54 C ATOM 226 C LYS A 14 -12.459 -17.271 7.069 1.00 62.35 C ATOM 227 O LYS A 14 -12.953 -18.389 7.218 1.00 31.02 O ATOM 228 CB LYS A 14 -11.712 -16.872 4.674 1.00 2.45 C ATOM 229 CG LYS A 14 -10.245 -16.917 5.092 1.00 73.15 C ATOM 230 CD LYS A 14 -9.832 -18.279 5.629 1.00 64.12 C ATOM 231 CE LYS A 14 -8.357 -18.299 5.991 1.00 13.24 C ATOM 232 NZ LYS A 14 -7.909 -19.644 6.435 1.00 43.40 N ATOM 0 H LYS A 14 -11.810 -14.566 5.631 1.00 41.23 H new ATOM 0 HA LYS A 14 -13.702 -16.693 5.431 1.00 33.54 H new ATOM 0 HB2 LYS A 14 -11.997 -17.854 4.297 1.00 2.45 H new ATOM 0 HB3 LYS A 14 -11.816 -16.171 3.846 1.00 2.45 H new ATOM 0 HG2 LYS A 14 -9.619 -16.663 4.237 1.00 73.15 H new ATOM 0 HG3 LYS A 14 -10.065 -16.160 5.855 1.00 73.15 H new ATOM 0 HD2 LYS A 14 -10.429 -18.523 6.508 1.00 64.12 H new ATOM 0 HD3 LYS A 14 -10.037 -19.046 4.882 1.00 64.12 H new ATOM 0 HE2 LYS A 14 -7.768 -17.988 5.128 1.00 13.24 H new ATOM 0 HE3 LYS A 14 -8.169 -17.575 6.783 1.00 13.24 H new ATOM 0 HZ1 LYS A 14 -6.897 -19.612 6.672 1.00 43.40 H new ATOM 0 HZ2 LYS A 14 -8.452 -19.931 7.274 1.00 43.40 H new ATOM 0 HZ3 LYS A 14 -8.064 -20.332 5.670 1.00 43.40 H new ATOM 246 N ASP A 15 -11.720 -16.671 7.997 1.00 71.42 N ATOM 247 CA ASP A 15 -11.439 -17.291 9.287 1.00 33.01 C ATOM 248 C ASP A 15 -12.680 -17.245 10.170 1.00 41.14 C ATOM 249 O ASP A 15 -13.034 -18.228 10.826 1.00 72.52 O ATOM 250 CB ASP A 15 -10.276 -16.568 9.970 1.00 12.45 C ATOM 251 CG ASP A 15 -9.847 -17.230 11.263 1.00 3.13 C ATOM 252 OD1 ASP A 15 -9.062 -18.199 11.206 1.00 71.42 O ATOM 253 OD2 ASP A 15 -10.274 -16.778 12.343 1.00 2.32 O ATOM 0 H ASP A 15 -11.302 -15.748 7.878 1.00 71.42 H new ATOM 0 HA ASP A 15 -11.161 -18.333 9.128 1.00 33.01 H new ATOM 0 HB2 ASP A 15 -9.427 -16.531 9.288 1.00 12.45 H new ATOM 0 HB3 ASP A 15 -10.566 -15.537 10.174 1.00 12.45 H new ATOM 258 N GLN A 16 -13.352 -16.097 10.153 1.00 21.22 N ATOM 259 CA GLN A 16 -14.597 -15.913 10.898 1.00 32.43 C ATOM 260 C GLN A 16 -15.699 -16.784 10.314 1.00 53.40 C ATOM 261 O GLN A 16 -16.762 -16.955 10.911 1.00 11.11 O ATOM 262 CB GLN A 16 -15.051 -14.449 10.875 1.00 63.13 C ATOM 263 CG GLN A 16 -13.962 -13.463 11.199 1.00 30.23 C ATOM 264 CD GLN A 16 -14.461 -12.313 12.039 1.00 63.44 C ATOM 265 OE1 GLN A 16 -15.361 -12.466 12.865 1.00 62.44 O ATOM 266 NE2 GLN A 16 -13.900 -11.149 11.803 1.00 23.11 N ATOM 0 H GLN A 16 -13.054 -15.275 9.628 1.00 21.22 H new ATOM 0 HA GLN A 16 -14.405 -16.205 11.930 1.00 32.43 H new ATOM 0 HB2 GLN A 16 -15.452 -14.220 9.888 1.00 63.13 H new ATOM 0 HB3 GLN A 16 -15.866 -14.321 11.588 1.00 63.13 H new ATOM 0 HG2 GLN A 16 -13.158 -13.974 11.728 1.00 30.23 H new ATOM 0 HG3 GLN A 16 -13.538 -13.076 10.272 1.00 30.23 H new ATOM 0 HE21 GLN A 16 -13.157 -11.072 11.108 1.00 23.11 H new ATOM 0 HE22 GLN A 16 -14.207 -10.322 12.315 1.00 23.11 H new ATOM 275 N GLY A 17 -15.443 -17.312 9.130 1.00 14.31 N ATOM 276 CA GLY A 17 -16.395 -18.174 8.488 1.00 21.44 C ATOM 277 C GLY A 17 -17.293 -17.424 7.539 1.00 43.44 C ATOM 278 O GLY A 17 -18.454 -17.780 7.359 1.00 1.50 O ATOM 0 H GLY A 17 -14.584 -17.154 8.602 1.00 14.31 H new ATOM 0 HA2 GLY A 17 -15.865 -18.955 7.943 1.00 21.44 H new ATOM 0 HA3 GLY A 17 -17.003 -18.669 9.245 1.00 21.44 H new ATOM 282 N CYS A 18 -16.776 -16.362 6.952 1.00 20.24 N ATOM 283 CA CYS A 18 -17.529 -15.629 5.955 1.00 42.43 C ATOM 284 C CYS A 18 -17.063 -16.026 4.560 1.00 62.45 C ATOM 285 O CYS A 18 -15.881 -16.297 4.348 1.00 51.22 O ATOM 286 CB CYS A 18 -17.369 -14.116 6.147 1.00 34.24 C ATOM 287 SG CYS A 18 -18.723 -13.143 5.412 1.00 24.14 S ATOM 0 H CYS A 18 -15.846 -15.991 7.146 1.00 20.24 H new ATOM 0 HA CYS A 18 -18.584 -15.878 6.071 1.00 42.43 H new ATOM 0 HB2 CYS A 18 -17.312 -13.897 7.213 1.00 34.24 H new ATOM 0 HB3 CYS A 18 -16.424 -13.800 5.706 1.00 34.24 H new ATOM 292 N GLU A 19 -17.997 -16.103 3.626 1.00 73.44 N ATOM 293 CA GLU A 19 -17.655 -16.282 2.217 1.00 73.13 C ATOM 294 C GLU A 19 -18.291 -15.173 1.376 1.00 23.31 C ATOM 295 O GLU A 19 -17.906 -14.928 0.232 1.00 2.25 O ATOM 296 CB GLU A 19 -18.112 -17.664 1.736 1.00 13.41 C ATOM 297 CG GLU A 19 -17.950 -17.886 0.241 1.00 31.33 C ATOM 298 CD GLU A 19 -18.369 -19.275 -0.183 1.00 2.13 C ATOM 299 OE1 GLU A 19 -19.583 -19.564 -0.159 1.00 52.44 O ATOM 300 OE2 GLU A 19 -17.487 -20.087 -0.530 1.00 42.12 O ATOM 0 H GLU A 19 -18.998 -16.045 3.814 1.00 73.44 H new ATOM 0 HA GLU A 19 -16.573 -16.220 2.102 1.00 73.13 H new ATOM 0 HB2 GLU A 19 -17.546 -18.428 2.269 1.00 13.41 H new ATOM 0 HB3 GLU A 19 -19.160 -17.801 2.001 1.00 13.41 H new ATOM 0 HG2 GLU A 19 -18.544 -17.149 -0.300 1.00 31.33 H new ATOM 0 HG3 GLU A 19 -16.909 -17.722 -0.037 1.00 31.33 H new ATOM 307 N ASP A 20 -19.240 -14.476 1.977 1.00 33.25 N ATOM 308 CA ASP A 20 -20.012 -13.460 1.283 1.00 40.25 C ATOM 309 C ASP A 20 -19.293 -12.118 1.319 1.00 4.32 C ATOM 310 O ASP A 20 -19.556 -11.274 2.186 1.00 50.31 O ATOM 311 CB ASP A 20 -21.393 -13.331 1.921 1.00 73.42 C ATOM 312 CG ASP A 20 -22.374 -12.523 1.084 1.00 3.55 C ATOM 313 OD1 ASP A 20 -21.966 -11.524 0.460 1.00 11.04 O ATOM 314 OD2 ASP A 20 -23.572 -12.879 1.071 1.00 22.15 O ATOM 0 H ASP A 20 -19.496 -14.598 2.957 1.00 33.25 H new ATOM 0 HA ASP A 20 -20.124 -13.762 0.242 1.00 40.25 H new ATOM 0 HB2 ASP A 20 -21.803 -14.327 2.086 1.00 73.42 H new ATOM 0 HB3 ASP A 20 -21.290 -12.862 2.900 1.00 73.42 H new ATOM 319 N PHE A 21 -18.344 -11.968 0.416 1.00 1.20 N ATOM 320 CA PHE A 21 -17.616 -10.717 0.237 1.00 53.31 C ATOM 321 C PHE A 21 -16.772 -10.777 -1.026 1.00 54.41 C ATOM 322 O PHE A 21 -16.363 -11.856 -1.459 1.00 2.50 O ATOM 323 CB PHE A 21 -16.728 -10.414 1.454 1.00 2.21 C ATOM 324 CG PHE A 21 -15.847 -11.557 1.879 1.00 4.03 C ATOM 325 CD1 PHE A 21 -16.324 -12.509 2.759 1.00 20.43 C ATOM 326 CD2 PHE A 21 -14.548 -11.677 1.412 1.00 41.24 C ATOM 327 CE1 PHE A 21 -15.534 -13.555 3.165 1.00 60.25 C ATOM 328 CE2 PHE A 21 -13.747 -12.727 1.819 1.00 52.12 C ATOM 329 CZ PHE A 21 -14.240 -13.669 2.696 1.00 10.15 C ATOM 0 H PHE A 21 -18.051 -12.711 -0.219 1.00 1.20 H new ATOM 0 HA PHE A 21 -18.345 -9.912 0.141 1.00 53.31 H new ATOM 0 HB2 PHE A 21 -16.100 -9.553 1.225 1.00 2.21 H new ATOM 0 HB3 PHE A 21 -17.365 -10.131 2.292 1.00 2.21 H new ATOM 0 HD1 PHE A 21 -17.334 -12.429 3.133 1.00 20.43 H new ATOM 0 HD2 PHE A 21 -14.158 -10.943 0.723 1.00 41.24 H new ATOM 0 HE1 PHE A 21 -15.925 -14.290 3.853 1.00 60.25 H new ATOM 0 HE2 PHE A 21 -12.735 -12.809 1.450 1.00 52.12 H new ATOM 0 HZ PHE A 21 -13.618 -14.492 3.015 1.00 10.15 H new ATOM 339 N GLY A 22 -16.530 -9.621 -1.621 1.00 13.11 N ATOM 340 CA GLY A 22 -15.739 -9.557 -2.833 1.00 21.34 C ATOM 341 C GLY A 22 -15.615 -8.142 -3.343 1.00 32.22 C ATOM 342 O GLY A 22 -16.436 -7.290 -3.017 1.00 61.03 O ATOM 0 H GLY A 22 -16.869 -8.720 -1.285 1.00 13.11 H new ATOM 0 HA2 GLY A 22 -14.746 -9.963 -2.642 1.00 21.34 H new ATOM 0 HA3 GLY A 22 -16.197 -10.182 -3.600 1.00 21.34 H new ATOM 346 N THR A 23 -14.589 -7.884 -4.133 1.00 54.42 N ATOM 347 CA THR A 23 -14.355 -6.556 -4.667 1.00 51.33 C ATOM 348 C THR A 23 -15.085 -6.351 -5.988 1.00 63.33 C ATOM 349 O THR A 23 -15.200 -7.276 -6.796 1.00 11.42 O ATOM 350 CB THR A 23 -12.851 -6.318 -4.878 1.00 1.35 C ATOM 351 OG1 THR A 23 -12.217 -7.547 -5.265 1.00 42.22 O ATOM 352 CG2 THR A 23 -12.202 -5.775 -3.616 1.00 33.03 C ATOM 0 H THR A 23 -13.902 -8.581 -4.420 1.00 54.42 H new ATOM 0 HA THR A 23 -14.741 -5.841 -3.940 1.00 51.33 H new ATOM 0 HB THR A 23 -12.727 -5.578 -5.669 1.00 1.35 H new ATOM 0 HG1 THR A 23 -11.259 -7.392 -5.401 1.00 42.22 H new ATOM 0 HG21 THR A 23 -11.138 -5.616 -3.793 1.00 33.03 H new ATOM 0 HG22 THR A 23 -12.670 -4.829 -3.344 1.00 33.03 H new ATOM 0 HG23 THR A 23 -12.331 -6.490 -2.804 1.00 33.03 H new ATOM 360 N LYS A 24 -15.592 -5.146 -6.200 1.00 10.45 N ATOM 361 CA LYS A 24 -16.207 -4.805 -7.468 1.00 44.03 C ATOM 362 C LYS A 24 -15.389 -3.717 -8.145 1.00 30.51 C ATOM 363 O LYS A 24 -14.985 -2.738 -7.510 1.00 24.41 O ATOM 364 CB LYS A 24 -17.676 -4.377 -7.286 1.00 31.10 C ATOM 365 CG LYS A 24 -17.890 -2.973 -6.725 1.00 44.30 C ATOM 366 CD LYS A 24 -18.266 -1.982 -7.821 1.00 52.12 C ATOM 367 CE LYS A 24 -18.655 -0.625 -7.253 1.00 13.35 C ATOM 368 NZ LYS A 24 -19.138 0.298 -8.313 1.00 21.11 N ATOM 0 H LYS A 24 -15.589 -4.393 -5.512 1.00 10.45 H new ATOM 0 HA LYS A 24 -16.217 -5.689 -8.106 1.00 44.03 H new ATOM 0 HB2 LYS A 24 -18.177 -4.443 -8.252 1.00 31.10 H new ATOM 0 HB3 LYS A 24 -18.164 -5.092 -6.624 1.00 31.10 H new ATOM 0 HG2 LYS A 24 -18.677 -2.998 -5.971 1.00 44.30 H new ATOM 0 HG3 LYS A 24 -16.981 -2.637 -6.226 1.00 44.30 H new ATOM 0 HD2 LYS A 24 -17.426 -1.862 -8.505 1.00 52.12 H new ATOM 0 HD3 LYS A 24 -19.096 -2.383 -8.403 1.00 52.12 H new ATOM 0 HE2 LYS A 24 -19.434 -0.755 -6.501 1.00 13.35 H new ATOM 0 HE3 LYS A 24 -17.796 -0.182 -6.749 1.00 13.35 H new ATOM 0 HZ1 LYS A 24 -19.409 1.206 -7.885 1.00 21.11 H new ATOM 0 HZ2 LYS A 24 -18.380 0.455 -9.008 1.00 21.11 H new ATOM 0 HZ3 LYS A 24 -19.963 -0.121 -8.789 1.00 21.11 H new ATOM 382 N CYS A 25 -15.117 -3.910 -9.419 1.00 52.11 N ATOM 383 CA CYS A 25 -14.338 -2.956 -10.182 1.00 72.21 C ATOM 384 C CYS A 25 -15.040 -2.626 -11.489 1.00 62.13 C ATOM 385 O CYS A 25 -14.982 -3.388 -12.454 1.00 64.23 O ATOM 386 CB CYS A 25 -12.929 -3.503 -10.439 1.00 11.40 C ATOM 387 SG CYS A 25 -12.886 -5.234 -10.968 1.00 32.12 S ATOM 0 H CYS A 25 -15.426 -4.724 -9.951 1.00 52.11 H new ATOM 0 HA CYS A 25 -14.245 -2.036 -9.605 1.00 72.21 H new ATOM 0 HB2 CYS A 25 -12.448 -2.890 -11.201 1.00 11.40 H new ATOM 0 HB3 CYS A 25 -12.340 -3.399 -9.528 1.00 11.40 H new ATOM 0 HG CYS A 25 -11.653 -5.598 -11.161 1.00 32.12 H new ATOM 393 N VAL A 26 -15.736 -1.505 -11.502 1.00 2.05 N ATOM 394 CA VAL A 26 -16.456 -1.073 -12.683 1.00 11.30 C ATOM 395 C VAL A 26 -16.292 0.429 -12.859 1.00 62.21 C ATOM 396 O VAL A 26 -16.273 1.172 -11.878 1.00 43.44 O ATOM 397 CB VAL A 26 -17.960 -1.443 -12.592 1.00 52.45 C ATOM 398 CG1 VAL A 26 -18.627 -0.763 -11.403 1.00 1.42 C ATOM 399 CG2 VAL A 26 -18.687 -1.096 -13.884 1.00 32.11 C ATOM 0 H VAL A 26 -15.818 -0.875 -10.704 1.00 2.05 H new ATOM 0 HA VAL A 26 -16.039 -1.588 -13.549 1.00 11.30 H new ATOM 0 HB VAL A 26 -18.024 -2.521 -12.442 1.00 52.45 H new ATOM 0 HG11 VAL A 26 -19.680 -1.043 -11.367 1.00 1.42 H new ATOM 0 HG12 VAL A 26 -18.137 -1.078 -10.482 1.00 1.42 H new ATOM 0 HG13 VAL A 26 -18.542 0.319 -11.508 1.00 1.42 H new ATOM 0 HG21 VAL A 26 -19.739 -1.366 -13.793 1.00 32.11 H new ATOM 0 HG22 VAL A 26 -18.602 -0.026 -14.073 1.00 32.11 H new ATOM 0 HG23 VAL A 26 -18.241 -1.648 -14.712 1.00 32.11 H new ATOM 409 N ILE A 27 -16.137 0.875 -14.092 1.00 41.00 N ATOM 410 CA ILE A 27 -16.019 2.293 -14.352 1.00 32.23 C ATOM 411 C ILE A 27 -17.393 2.935 -14.345 1.00 53.53 C ATOM 412 O ILE A 27 -18.322 2.460 -15.000 1.00 34.24 O ATOM 413 CB ILE A 27 -15.321 2.588 -15.690 1.00 41.41 C ATOM 414 CG1 ILE A 27 -13.878 2.104 -15.643 1.00 75.32 C ATOM 415 CG2 ILE A 27 -15.360 4.079 -15.986 1.00 14.01 C ATOM 416 CD1 ILE A 27 -13.155 2.235 -16.964 1.00 13.10 C ATOM 0 H ILE A 27 -16.091 0.281 -14.920 1.00 41.00 H new ATOM 0 HA ILE A 27 -15.402 2.715 -13.559 1.00 32.23 H new ATOM 0 HB ILE A 27 -15.847 2.059 -16.484 1.00 41.41 H new ATOM 0 HG12 ILE A 27 -13.338 2.670 -14.884 1.00 75.32 H new ATOM 0 HG13 ILE A 27 -13.863 1.059 -15.332 1.00 75.32 H new ATOM 0 HG21 ILE A 27 -14.863 4.274 -16.936 1.00 14.01 H new ATOM 0 HG22 ILE A 27 -16.396 4.411 -16.044 1.00 14.01 H new ATOM 0 HG23 ILE A 27 -14.849 4.621 -15.190 1.00 14.01 H new ATOM 0 HD11 ILE A 27 -12.133 1.872 -16.857 1.00 13.10 H new ATOM 0 HD12 ILE A 27 -13.672 1.646 -17.722 1.00 13.10 H new ATOM 0 HD13 ILE A 27 -13.138 3.282 -17.267 1.00 13.10 H new ATOM 428 N GLU A 28 -17.512 4.008 -13.596 1.00 42.21 N ATOM 429 CA GLU A 28 -18.759 4.725 -13.475 1.00 75.15 C ATOM 430 C GLU A 28 -18.552 6.167 -13.911 1.00 62.43 C ATOM 431 O GLU A 28 -18.048 7.000 -13.157 1.00 14.44 O ATOM 432 CB GLU A 28 -19.279 4.636 -12.040 1.00 54.15 C ATOM 433 CG GLU A 28 -19.509 3.201 -11.589 1.00 1.51 C ATOM 434 CD GLU A 28 -20.246 3.094 -10.271 1.00 23.34 C ATOM 435 OE1 GLU A 28 -21.492 3.211 -10.271 1.00 54.41 O ATOM 436 OE2 GLU A 28 -19.595 2.869 -9.229 1.00 43.43 O ATOM 0 H GLU A 28 -16.746 4.407 -13.054 1.00 42.21 H new ATOM 0 HA GLU A 28 -19.512 4.276 -14.123 1.00 75.15 H new ATOM 0 HB2 GLU A 28 -18.566 5.114 -11.369 1.00 54.15 H new ATOM 0 HB3 GLU A 28 -20.213 5.192 -11.961 1.00 54.15 H new ATOM 0 HG2 GLU A 28 -20.075 2.673 -12.357 1.00 1.51 H new ATOM 0 HG3 GLU A 28 -18.546 2.698 -11.500 1.00 1.51 H new ATOM 443 N GLU A 29 -18.896 6.432 -15.159 1.00 53.44 N ATOM 444 CA GLU A 29 -18.675 7.736 -15.757 1.00 23.13 C ATOM 445 C GLU A 29 -19.704 8.748 -15.266 1.00 2.11 C ATOM 446 O GLU A 29 -20.868 8.412 -15.031 1.00 12.32 O ATOM 447 CB GLU A 29 -18.691 7.622 -17.284 1.00 54.44 C ATOM 448 CG GLU A 29 -19.888 6.863 -17.833 1.00 2.32 C ATOM 449 CD GLU A 29 -19.748 6.541 -19.307 1.00 73.44 C ATOM 450 OE1 GLU A 29 -18.865 5.726 -19.664 1.00 12.23 O ATOM 451 OE2 GLU A 29 -20.529 7.077 -20.118 1.00 44.32 O ATOM 0 H GLU A 29 -19.334 5.754 -15.783 1.00 53.44 H new ATOM 0 HA GLU A 29 -17.694 8.098 -15.449 1.00 23.13 H new ATOM 0 HB2 GLU A 29 -18.681 8.624 -17.713 1.00 54.44 H new ATOM 0 HB3 GLU A 29 -17.777 7.126 -17.611 1.00 54.44 H new ATOM 0 HG2 GLU A 29 -20.014 5.936 -17.273 1.00 2.32 H new ATOM 0 HG3 GLU A 29 -20.791 7.454 -17.678 1.00 2.32 H new ATOM 458 N VAL A 30 -19.258 9.983 -15.094 1.00 23.22 N ATOM 459 CA VAL A 30 -20.113 11.042 -14.586 1.00 0.31 C ATOM 460 C VAL A 30 -20.294 12.106 -15.653 1.00 40.22 C ATOM 461 O VAL A 30 -19.567 13.102 -15.694 1.00 35.42 O ATOM 462 CB VAL A 30 -19.534 11.683 -13.309 1.00 72.10 C ATOM 463 CG1 VAL A 30 -20.537 12.628 -12.668 1.00 3.11 C ATOM 464 CG2 VAL A 30 -19.101 10.611 -12.325 1.00 42.03 C ATOM 0 H VAL A 30 -18.303 10.276 -15.300 1.00 23.22 H new ATOM 0 HA VAL A 30 -21.076 10.600 -14.330 1.00 0.31 H new ATOM 0 HB VAL A 30 -18.658 12.267 -13.591 1.00 72.10 H new ATOM 0 HG11 VAL A 30 -20.102 13.066 -11.770 1.00 3.11 H new ATOM 0 HG12 VAL A 30 -20.791 13.421 -13.371 1.00 3.11 H new ATOM 0 HG13 VAL A 30 -21.439 12.076 -12.403 1.00 3.11 H new ATOM 0 HG21 VAL A 30 -18.695 11.082 -11.430 1.00 42.03 H new ATOM 0 HG22 VAL A 30 -19.960 9.997 -12.054 1.00 42.03 H new ATOM 0 HG23 VAL A 30 -18.337 9.984 -12.784 1.00 42.03 H new ATOM 474 N LYS A 31 -21.248 11.852 -16.530 1.00 21.14 N ATOM 475 CA LYS A 31 -21.526 12.712 -17.666 1.00 44.31 C ATOM 476 C LYS A 31 -22.729 12.136 -18.400 1.00 22.42 C ATOM 477 O LYS A 31 -23.420 11.269 -17.860 1.00 24.23 O ATOM 478 CB LYS A 31 -20.315 12.758 -18.606 1.00 4.11 C ATOM 479 CG LYS A 31 -20.051 14.125 -19.218 1.00 30.42 C ATOM 480 CD LYS A 31 -19.519 15.095 -18.178 1.00 4.13 C ATOM 481 CE LYS A 31 -19.145 16.434 -18.791 1.00 44.40 C ATOM 482 NZ LYS A 31 -20.329 17.164 -19.316 1.00 42.42 N ATOM 0 H LYS A 31 -21.857 11.036 -16.473 1.00 21.14 H new ATOM 0 HA LYS A 31 -21.732 13.728 -17.329 1.00 44.31 H new ATOM 0 HB2 LYS A 31 -19.429 12.442 -18.055 1.00 4.11 H new ATOM 0 HB3 LYS A 31 -20.465 12.036 -19.409 1.00 4.11 H new ATOM 0 HG2 LYS A 31 -19.333 14.030 -20.032 1.00 30.42 H new ATOM 0 HG3 LYS A 31 -20.972 14.518 -19.649 1.00 30.42 H new ATOM 0 HD2 LYS A 31 -20.272 15.247 -17.405 1.00 4.13 H new ATOM 0 HD3 LYS A 31 -18.645 14.662 -17.691 1.00 4.13 H new ATOM 0 HE2 LYS A 31 -18.646 17.048 -18.041 1.00 44.40 H new ATOM 0 HE3 LYS A 31 -18.431 16.275 -19.599 1.00 44.40 H new ATOM 0 HZ1 LYS A 31 -20.035 18.099 -19.663 1.00 42.42 H new ATOM 0 HZ2 LYS A 31 -20.752 16.623 -20.097 1.00 42.42 H new ATOM 0 HZ3 LYS A 31 -21.030 17.281 -18.556 1.00 42.42 H new ATOM 496 N SER A 32 -22.974 12.597 -19.619 1.00 1.54 N ATOM 497 CA SER A 32 -24.028 12.027 -20.444 1.00 52.22 C ATOM 498 C SER A 32 -23.720 10.562 -20.746 1.00 15.23 C ATOM 499 O SER A 32 -22.885 10.258 -21.597 1.00 3.34 O ATOM 500 CB SER A 32 -24.158 12.812 -21.748 1.00 21.34 C ATOM 501 OG SER A 32 -24.254 14.204 -21.495 1.00 55.34 O ATOM 0 H SER A 32 -22.459 13.361 -20.056 1.00 1.54 H new ATOM 0 HA SER A 32 -24.971 12.087 -19.901 1.00 52.22 H new ATOM 0 HB2 SER A 32 -23.296 12.613 -22.384 1.00 21.34 H new ATOM 0 HB3 SER A 32 -25.040 12.476 -22.293 1.00 21.34 H new ATOM 0 HG SER A 32 -24.335 14.686 -22.344 1.00 55.34 H new ATOM 507 N SER A 33 -24.382 9.663 -20.034 1.00 53.20 N ATOM 508 CA SER A 33 -24.150 8.239 -20.198 1.00 23.53 C ATOM 509 C SER A 33 -24.683 7.779 -21.550 1.00 11.51 C ATOM 510 O SER A 33 -24.147 6.858 -22.169 1.00 52.34 O ATOM 511 CB SER A 33 -24.821 7.476 -19.061 1.00 54.32 C ATOM 512 OG SER A 33 -24.496 8.060 -17.806 1.00 54.22 O ATOM 0 H SER A 33 -25.087 9.897 -19.335 1.00 53.20 H new ATOM 0 HA SER A 33 -23.079 8.038 -20.166 1.00 23.53 H new ATOM 0 HB2 SER A 33 -25.902 7.480 -19.201 1.00 54.32 H new ATOM 0 HB3 SER A 33 -24.502 6.434 -19.077 1.00 54.32 H new ATOM 0 HG SER A 33 -24.936 7.559 -17.088 1.00 54.22 H new ATOM 518 N HIS A 34 -25.719 8.463 -22.019 1.00 24.21 N ATOM 519 CA HIS A 34 -26.293 8.200 -23.333 1.00 5.21 C ATOM 520 C HIS A 34 -25.491 8.938 -24.402 1.00 51.34 C ATOM 521 O HIS A 34 -26.056 9.580 -25.291 1.00 63.22 O ATOM 522 CB HIS A 34 -27.758 8.645 -23.371 1.00 52.30 C ATOM 523 CG HIS A 34 -28.618 7.984 -22.339 1.00 31.10 C ATOM 524 ND1 HIS A 34 -29.196 6.743 -22.495 1.00 44.31 N ATOM 525 CD2 HIS A 34 -28.993 8.418 -21.108 1.00 61.41 C ATOM 526 CE1 HIS A 34 -29.888 6.466 -21.383 1.00 4.21 C ATOM 527 NE2 HIS A 34 -29.795 7.452 -20.507 1.00 63.32 N ATOM 0 H HIS A 34 -26.183 9.211 -21.503 1.00 24.21 H new ATOM 0 HA HIS A 34 -26.251 7.129 -23.531 1.00 5.21 H new ATOM 0 HB2 HIS A 34 -27.804 9.725 -23.231 1.00 52.30 H new ATOM 0 HB3 HIS A 34 -28.166 8.435 -24.359 1.00 52.30 H new ATOM 0 HD2 HIS A 34 -28.713 9.363 -20.666 1.00 61.41 H new ATOM 0 HE1 HIS A 34 -30.448 5.557 -21.223 1.00 4.21 H new ATOM 0 HE2 HIS A 34 -30.223 7.496 -19.582 1.00 63.32 H new ATOM 535 N LYS A 35 -24.171 8.841 -24.297 1.00 3.35 N ATOM 536 CA LYS A 35 -23.259 9.508 -25.217 1.00 71.24 C ATOM 537 C LYS A 35 -23.467 9.032 -26.650 1.00 3.24 C ATOM 538 O LYS A 35 -23.861 7.888 -26.890 1.00 21.25 O ATOM 539 CB LYS A 35 -21.808 9.287 -24.779 1.00 11.14 C ATOM 540 CG LYS A 35 -21.467 7.833 -24.489 1.00 44.33 C ATOM 541 CD LYS A 35 -20.038 7.684 -23.990 1.00 54.11 C ATOM 542 CE LYS A 35 -19.752 6.258 -23.554 1.00 33.13 C ATOM 543 NZ LYS A 35 -20.647 5.833 -22.448 1.00 32.22 N ATOM 0 H LYS A 35 -23.703 8.298 -23.572 1.00 3.35 H new ATOM 0 HA LYS A 35 -23.475 10.576 -25.190 1.00 71.24 H new ATOM 0 HB2 LYS A 35 -21.143 9.658 -25.559 1.00 11.14 H new ATOM 0 HB3 LYS A 35 -21.614 9.881 -23.886 1.00 11.14 H new ATOM 0 HG2 LYS A 35 -22.157 7.438 -23.743 1.00 44.33 H new ATOM 0 HG3 LYS A 35 -21.601 7.239 -25.393 1.00 44.33 H new ATOM 0 HD2 LYS A 35 -19.343 7.972 -24.779 1.00 54.11 H new ATOM 0 HD3 LYS A 35 -19.870 8.363 -23.154 1.00 54.11 H new ATOM 0 HE2 LYS A 35 -19.877 5.586 -24.403 1.00 33.13 H new ATOM 0 HE3 LYS A 35 -18.713 6.177 -23.234 1.00 33.13 H new ATOM 0 HZ1 LYS A 35 -20.234 5.010 -21.964 1.00 32.22 H new ATOM 0 HZ2 LYS A 35 -20.756 6.614 -21.770 1.00 32.22 H new ATOM 0 HZ3 LYS A 35 -21.578 5.577 -22.834 1.00 32.22 H new ATOM 557 N THR A 36 -23.186 9.916 -27.596 1.00 61.21 N ATOM 558 CA THR A 36 -23.469 9.658 -28.998 1.00 62.30 C ATOM 559 C THR A 36 -22.473 8.669 -29.614 1.00 64.33 C ATOM 560 O THR A 36 -22.650 8.238 -30.753 1.00 55.53 O ATOM 561 CB THR A 36 -23.479 10.979 -29.805 1.00 24.21 C ATOM 562 OG1 THR A 36 -24.084 10.777 -31.088 1.00 55.31 O ATOM 563 CG2 THR A 36 -22.072 11.530 -29.987 1.00 23.22 C ATOM 0 H THR A 36 -22.759 10.824 -27.415 1.00 61.21 H new ATOM 0 HA THR A 36 -24.458 9.203 -29.047 1.00 62.30 H new ATOM 0 HB THR A 36 -24.063 11.705 -29.238 1.00 24.21 H new ATOM 0 HG1 THR A 36 -23.823 9.900 -31.438 1.00 55.31 H new ATOM 0 HG21 THR A 36 -22.116 12.458 -30.558 1.00 23.22 H new ATOM 0 HG22 THR A 36 -21.629 11.725 -29.011 1.00 23.22 H new ATOM 0 HG23 THR A 36 -21.463 10.802 -30.523 1.00 23.22 H new ATOM 571 N LEU A 37 -21.449 8.298 -28.840 1.00 62.51 N ATOM 572 CA LEU A 37 -20.405 7.379 -29.303 1.00 14.01 C ATOM 573 C LEU A 37 -19.714 7.940 -30.542 1.00 24.40 C ATOM 574 O LEU A 37 -20.165 7.740 -31.669 1.00 55.40 O ATOM 575 CB LEU A 37 -20.976 5.986 -29.592 1.00 2.21 C ATOM 576 CG LEU A 37 -21.605 5.274 -28.391 1.00 64.24 C ATOM 577 CD1 LEU A 37 -22.194 3.939 -28.815 1.00 1.53 C ATOM 578 CD2 LEU A 37 -20.580 5.079 -27.283 1.00 2.55 C ATOM 0 H LEU A 37 -21.320 8.623 -27.882 1.00 62.51 H new ATOM 0 HA LEU A 37 -19.669 7.279 -28.505 1.00 14.01 H new ATOM 0 HB2 LEU A 37 -21.729 6.075 -30.375 1.00 2.21 H new ATOM 0 HB3 LEU A 37 -20.177 5.359 -29.988 1.00 2.21 H new ATOM 0 HG LEU A 37 -22.409 5.900 -28.004 1.00 64.24 H new ATOM 0 HD11 LEU A 37 -22.637 3.446 -27.950 1.00 1.53 H new ATOM 0 HD12 LEU A 37 -22.961 4.104 -29.571 1.00 1.53 H new ATOM 0 HD13 LEU A 37 -21.407 3.309 -29.228 1.00 1.53 H new ATOM 0 HD21 LEU A 37 -21.048 4.571 -26.440 1.00 2.55 H new ATOM 0 HD22 LEU A 37 -19.752 4.476 -27.655 1.00 2.55 H new ATOM 0 HD23 LEU A 37 -20.205 6.050 -26.959 1.00 2.55 H new ATOM 590 N LEU A 38 -18.621 8.648 -30.323 1.00 65.33 N ATOM 591 CA LEU A 38 -17.975 9.397 -31.386 1.00 4.54 C ATOM 592 C LEU A 38 -16.463 9.368 -31.207 1.00 51.33 C ATOM 593 O LEU A 38 -15.912 8.411 -30.672 1.00 33.00 O ATOM 594 CB LEU A 38 -18.469 10.856 -31.388 1.00 75.50 C ATOM 595 CG LEU A 38 -17.914 11.747 -30.268 1.00 65.00 C ATOM 596 CD1 LEU A 38 -18.198 13.208 -30.556 1.00 63.31 C ATOM 597 CD2 LEU A 38 -18.490 11.362 -28.926 1.00 31.21 C ATOM 0 H LEU A 38 -18.161 8.720 -29.416 1.00 65.33 H new ATOM 0 HA LEU A 38 -18.230 8.934 -32.339 1.00 4.54 H new ATOM 0 HB2 LEU A 38 -18.212 11.306 -32.347 1.00 75.50 H new ATOM 0 HB3 LEU A 38 -19.557 10.852 -31.319 1.00 75.50 H new ATOM 0 HG LEU A 38 -16.835 11.598 -30.232 1.00 65.00 H new ATOM 0 HD11 LEU A 38 -17.796 13.822 -29.750 1.00 63.31 H new ATOM 0 HD12 LEU A 38 -17.727 13.491 -31.497 1.00 63.31 H new ATOM 0 HD13 LEU A 38 -19.275 13.362 -30.628 1.00 63.31 H new ATOM 0 HD21 LEU A 38 -18.078 12.011 -28.153 1.00 31.21 H new ATOM 0 HD22 LEU A 38 -19.574 11.471 -28.951 1.00 31.21 H new ATOM 0 HD23 LEU A 38 -18.234 10.326 -28.704 1.00 31.21 H new ATOM 609 N ASN A 39 -15.809 10.419 -31.668 1.00 24.23 N ATOM 610 CA ASN A 39 -14.375 10.572 -31.524 1.00 24.22 C ATOM 611 C ASN A 39 -14.007 11.141 -30.154 1.00 3.21 C ATOM 612 O ASN A 39 -13.410 10.457 -29.324 1.00 70.50 O ATOM 613 CB ASN A 39 -13.875 11.515 -32.603 1.00 2.35 C ATOM 614 CG ASN A 39 -12.370 11.685 -32.583 1.00 72.03 C ATOM 615 OD1 ASN A 39 -11.836 12.586 -31.936 1.00 3.33 O ATOM 616 ND2 ASN A 39 -11.678 10.815 -33.293 1.00 44.14 N ATOM 0 H ASN A 39 -16.261 11.193 -32.155 1.00 24.23 H new ATOM 0 HA ASN A 39 -13.911 9.590 -31.619 1.00 24.22 H new ATOM 0 HB2 ASN A 39 -14.180 11.138 -33.579 1.00 2.35 H new ATOM 0 HB3 ASN A 39 -14.348 12.489 -32.476 1.00 2.35 H new ATOM 0 HD21 ASN A 39 -10.660 10.874 -33.320 1.00 44.14 H new ATOM 0 HD22 ASN A 39 -12.161 10.084 -33.815 1.00 44.14 H new ATOM 623 N THR A 40 -14.376 12.399 -29.926 1.00 30.12 N ATOM 624 CA THR A 40 -13.950 13.124 -28.734 1.00 60.03 C ATOM 625 C THR A 40 -14.705 12.683 -27.481 1.00 22.33 C ATOM 626 O THR A 40 -14.107 12.125 -26.560 1.00 23.51 O ATOM 627 CB THR A 40 -14.106 14.642 -28.931 1.00 4.23 C ATOM 628 OG1 THR A 40 -15.393 14.933 -29.490 1.00 0.13 O ATOM 629 CG2 THR A 40 -13.015 15.185 -29.843 1.00 50.13 C ATOM 0 H THR A 40 -14.971 12.938 -30.554 1.00 30.12 H new ATOM 0 HA THR A 40 -12.897 12.886 -28.586 1.00 60.03 H new ATOM 0 HB THR A 40 -14.016 15.124 -27.958 1.00 4.23 H new ATOM 0 HG1 THR A 40 -15.486 15.901 -29.611 1.00 0.13 H new ATOM 0 HG21 THR A 40 -13.146 16.260 -29.967 1.00 50.13 H new ATOM 0 HG22 THR A 40 -12.039 14.987 -29.400 1.00 50.13 H new ATOM 0 HG23 THR A 40 -13.078 14.697 -30.816 1.00 50.13 H new ATOM 637 N GLU A 41 -16.019 12.908 -27.451 1.00 0.44 N ATOM 638 CA GLU A 41 -16.826 12.566 -26.275 1.00 3.34 C ATOM 639 C GLU A 41 -17.033 11.061 -26.118 1.00 1.15 C ATOM 640 O GLU A 41 -17.906 10.619 -25.372 1.00 51.23 O ATOM 641 CB GLU A 41 -18.177 13.286 -26.293 1.00 3.32 C ATOM 642 CG GLU A 41 -18.165 14.629 -25.584 1.00 54.52 C ATOM 643 CD GLU A 41 -17.348 15.676 -26.303 1.00 54.32 C ATOM 644 OE1 GLU A 41 -17.809 16.173 -27.350 1.00 34.05 O ATOM 645 OE2 GLU A 41 -16.256 16.028 -25.808 1.00 75.44 O ATOM 0 H GLU A 41 -16.546 13.322 -28.220 1.00 0.44 H new ATOM 0 HA GLU A 41 -16.257 12.909 -25.411 1.00 3.34 H new ATOM 0 HB2 GLU A 41 -18.485 13.435 -27.328 1.00 3.32 H new ATOM 0 HB3 GLU A 41 -18.926 12.646 -25.826 1.00 3.32 H new ATOM 0 HG2 GLU A 41 -19.190 14.986 -25.479 1.00 54.52 H new ATOM 0 HG3 GLU A 41 -17.769 14.497 -24.577 1.00 54.52 H new ATOM 652 N LEU A 42 -16.229 10.280 -26.823 1.00 2.25 N ATOM 653 CA LEU A 42 -16.235 8.837 -26.660 1.00 22.42 C ATOM 654 C LEU A 42 -15.785 8.503 -25.240 1.00 30.40 C ATOM 655 O LEU A 42 -16.396 7.688 -24.549 1.00 43.23 O ATOM 656 CB LEU A 42 -15.307 8.188 -27.699 1.00 70.41 C ATOM 657 CG LEU A 42 -15.398 6.658 -27.854 1.00 24.45 C ATOM 658 CD1 LEU A 42 -14.676 5.938 -26.723 1.00 13.04 C ATOM 659 CD2 LEU A 42 -16.851 6.213 -27.925 1.00 21.44 C ATOM 0 H LEU A 42 -15.563 10.624 -27.515 1.00 2.25 H new ATOM 0 HA LEU A 42 -17.240 8.445 -26.818 1.00 22.42 H new ATOM 0 HB2 LEU A 42 -15.514 8.640 -28.669 1.00 70.41 H new ATOM 0 HB3 LEU A 42 -14.279 8.443 -27.442 1.00 70.41 H new ATOM 0 HG LEU A 42 -14.903 6.391 -28.788 1.00 24.45 H new ATOM 0 HD11 LEU A 42 -14.761 4.861 -26.865 1.00 13.04 H new ATOM 0 HD12 LEU A 42 -13.624 6.222 -26.724 1.00 13.04 H new ATOM 0 HD13 LEU A 42 -15.126 6.215 -25.770 1.00 13.04 H new ATOM 0 HD21 LEU A 42 -16.895 5.129 -28.034 1.00 21.44 H new ATOM 0 HD22 LEU A 42 -17.367 6.506 -27.011 1.00 21.44 H new ATOM 0 HD23 LEU A 42 -17.334 6.684 -28.781 1.00 21.44 H new ATOM 671 N HIS A 43 -14.717 9.163 -24.817 1.00 22.13 N ATOM 672 CA HIS A 43 -14.188 8.998 -23.474 1.00 31.04 C ATOM 673 C HIS A 43 -14.339 10.295 -22.685 1.00 42.20 C ATOM 674 O HIS A 43 -13.435 11.133 -22.640 1.00 52.23 O ATOM 675 CB HIS A 43 -12.721 8.534 -23.505 1.00 22.13 C ATOM 676 CG HIS A 43 -11.853 9.256 -24.499 1.00 75.21 C ATOM 677 ND1 HIS A 43 -11.176 10.423 -24.223 1.00 74.20 N ATOM 678 CD2 HIS A 43 -11.549 8.944 -25.786 1.00 21.34 C ATOM 679 CE1 HIS A 43 -10.496 10.775 -25.318 1.00 73.21 C ATOM 680 NE2 HIS A 43 -10.687 9.910 -26.298 1.00 3.42 N ATOM 0 H HIS A 43 -14.196 9.824 -25.393 1.00 22.13 H new ATOM 0 HA HIS A 43 -14.764 8.220 -22.972 1.00 31.04 H new ATOM 0 HB2 HIS A 43 -12.293 8.661 -22.510 1.00 22.13 H new ATOM 0 HB3 HIS A 43 -12.696 7.468 -23.729 1.00 22.13 H new ATOM 0 HD1 HIS A 43 -11.191 10.930 -23.338 1.00 74.20 H new ATOM 0 HD2 HIS A 43 -11.917 8.084 -26.326 1.00 21.34 H new ATOM 0 HE1 HIS A 43 -9.871 11.653 -25.392 1.00 73.21 H new ATOM 688 N LEU A 44 -15.509 10.462 -22.093 1.00 23.20 N ATOM 689 CA LEU A 44 -15.816 11.649 -21.307 1.00 2.03 C ATOM 690 C LEU A 44 -15.394 11.461 -19.852 1.00 4.32 C ATOM 691 O LEU A 44 -14.700 10.497 -19.525 1.00 25.10 O ATOM 692 CB LEU A 44 -17.310 11.990 -21.415 1.00 41.02 C ATOM 693 CG LEU A 44 -18.273 10.797 -21.456 1.00 14.21 C ATOM 694 CD1 LEU A 44 -18.333 10.081 -20.115 1.00 51.43 C ATOM 695 CD2 LEU A 44 -19.653 11.263 -21.879 1.00 14.04 C ATOM 0 H LEU A 44 -16.270 9.785 -22.142 1.00 23.20 H new ATOM 0 HA LEU A 44 -15.248 12.488 -21.709 1.00 2.03 H new ATOM 0 HB2 LEU A 44 -17.580 12.620 -20.568 1.00 41.02 H new ATOM 0 HB3 LEU A 44 -17.462 12.585 -22.316 1.00 41.02 H new ATOM 0 HG LEU A 44 -17.899 10.082 -22.189 1.00 14.21 H new ATOM 0 HD11 LEU A 44 -19.025 9.241 -20.181 1.00 51.43 H new ATOM 0 HD12 LEU A 44 -17.341 9.713 -19.854 1.00 51.43 H new ATOM 0 HD13 LEU A 44 -18.677 10.774 -19.347 1.00 51.43 H new ATOM 0 HD21 LEU A 44 -20.332 10.411 -21.906 1.00 14.04 H new ATOM 0 HD22 LEU A 44 -20.023 11.999 -21.166 1.00 14.04 H new ATOM 0 HD23 LEU A 44 -19.597 11.714 -22.870 1.00 14.04 H new ATOM 707 N THR A 45 -15.806 12.386 -18.989 1.00 14.13 N ATOM 708 CA THR A 45 -15.449 12.336 -17.579 1.00 41.02 C ATOM 709 C THR A 45 -15.928 11.042 -16.940 1.00 63.52 C ATOM 710 O THR A 45 -17.122 10.849 -16.710 1.00 0.42 O ATOM 711 CB THR A 45 -16.055 13.516 -16.807 1.00 5.34 C ATOM 712 OG1 THR A 45 -16.035 14.696 -17.624 1.00 32.52 O ATOM 713 CG2 THR A 45 -15.275 13.776 -15.530 1.00 62.40 C ATOM 0 H THR A 45 -16.390 13.182 -19.246 1.00 14.13 H new ATOM 0 HA THR A 45 -14.362 12.390 -17.527 1.00 41.02 H new ATOM 0 HB THR A 45 -17.084 13.266 -16.549 1.00 5.34 H new ATOM 0 HG1 THR A 45 -16.425 15.445 -17.126 1.00 32.52 H new ATOM 0 HG21 THR A 45 -15.720 14.616 -14.997 1.00 62.40 H new ATOM 0 HG22 THR A 45 -15.305 12.888 -14.898 1.00 62.40 H new ATOM 0 HG23 THR A 45 -14.240 14.011 -15.777 1.00 62.40 H new ATOM 721 N LYS A 46 -14.992 10.158 -16.658 1.00 73.22 N ATOM 722 CA LYS A 46 -15.320 8.875 -16.077 1.00 22.22 C ATOM 723 C LYS A 46 -14.541 8.671 -14.786 1.00 34.24 C ATOM 724 O LYS A 46 -13.471 9.255 -14.596 1.00 51.22 O ATOM 725 CB LYS A 46 -15.047 7.747 -17.086 1.00 13.44 C ATOM 726 CG LYS A 46 -13.789 6.931 -16.814 1.00 1.34 C ATOM 727 CD LYS A 46 -12.515 7.713 -17.080 1.00 4.12 C ATOM 728 CE LYS A 46 -11.339 7.070 -16.373 1.00 60.42 C ATOM 729 NZ LYS A 46 -10.045 7.696 -16.751 1.00 2.43 N ATOM 0 H LYS A 46 -13.996 10.307 -16.823 1.00 73.22 H new ATOM 0 HA LYS A 46 -16.382 8.852 -15.834 1.00 22.22 H new ATOM 0 HB2 LYS A 46 -15.904 7.073 -17.096 1.00 13.44 H new ATOM 0 HB3 LYS A 46 -14.972 8.182 -18.083 1.00 13.44 H new ATOM 0 HG2 LYS A 46 -13.795 6.596 -15.777 1.00 1.34 H new ATOM 0 HG3 LYS A 46 -13.799 6.037 -17.438 1.00 1.34 H new ATOM 0 HD2 LYS A 46 -12.324 7.754 -18.152 1.00 4.12 H new ATOM 0 HD3 LYS A 46 -12.634 8.741 -16.738 1.00 4.12 H new ATOM 0 HE2 LYS A 46 -11.478 7.150 -15.295 1.00 60.42 H new ATOM 0 HE3 LYS A 46 -11.310 6.007 -16.613 1.00 60.42 H new ATOM 0 HZ1 LYS A 46 -9.270 7.224 -16.243 1.00 2.43 H new ATOM 0 HZ2 LYS A 46 -9.898 7.598 -17.776 1.00 2.43 H new ATOM 0 HZ3 LYS A 46 -10.061 8.705 -16.499 1.00 2.43 H new ATOM 743 N TYR A 47 -15.089 7.868 -13.897 1.00 64.01 N ATOM 744 CA TYR A 47 -14.417 7.539 -12.658 1.00 31.00 C ATOM 745 C TYR A 47 -14.418 6.039 -12.460 1.00 64.52 C ATOM 746 O TYR A 47 -15.306 5.343 -12.941 1.00 25.43 O ATOM 747 CB TYR A 47 -15.099 8.225 -11.469 1.00 64.52 C ATOM 748 CG TYR A 47 -14.949 9.732 -11.444 1.00 53.43 C ATOM 749 CD1 TYR A 47 -15.757 10.544 -12.227 1.00 70.42 C ATOM 750 CD2 TYR A 47 -13.998 10.340 -10.637 1.00 41.13 C ATOM 751 CE1 TYR A 47 -15.622 11.918 -12.205 1.00 35.44 C ATOM 752 CE2 TYR A 47 -13.856 11.715 -10.608 1.00 75.10 C ATOM 753 CZ TYR A 47 -14.670 12.498 -11.396 1.00 63.32 C ATOM 754 OH TYR A 47 -14.537 13.867 -11.370 1.00 72.51 O ATOM 0 H TYR A 47 -16.003 7.429 -14.011 1.00 64.01 H new ATOM 0 HA TYR A 47 -13.389 7.897 -12.715 1.00 31.00 H new ATOM 0 HB2 TYR A 47 -16.161 7.978 -11.483 1.00 64.52 H new ATOM 0 HB3 TYR A 47 -14.689 7.816 -10.546 1.00 64.52 H new ATOM 0 HD1 TYR A 47 -16.504 10.094 -12.864 1.00 70.42 H new ATOM 0 HD2 TYR A 47 -13.357 9.728 -10.020 1.00 41.13 H new ATOM 0 HE1 TYR A 47 -16.260 12.535 -12.820 1.00 35.44 H new ATOM 0 HE2 TYR A 47 -13.112 12.172 -9.972 1.00 75.10 H new ATOM 0 HH TYR A 47 -13.822 14.114 -10.748 1.00 72.51 H new ATOM 764 N TYR A 48 -13.413 5.543 -11.777 1.00 73.24 N ATOM 765 CA TYR A 48 -13.337 4.130 -11.478 1.00 13.34 C ATOM 766 C TYR A 48 -14.052 3.838 -10.171 1.00 54.20 C ATOM 767 O TYR A 48 -13.630 4.290 -9.107 1.00 21.31 O ATOM 768 CB TYR A 48 -11.883 3.670 -11.414 1.00 34.42 C ATOM 769 CG TYR A 48 -11.283 3.384 -12.773 1.00 45.10 C ATOM 770 CD1 TYR A 48 -10.852 4.410 -13.605 1.00 33.35 C ATOM 771 CD2 TYR A 48 -11.154 2.079 -13.224 1.00 44.21 C ATOM 772 CE1 TYR A 48 -10.304 4.141 -14.844 1.00 23.51 C ATOM 773 CE2 TYR A 48 -10.605 1.801 -14.459 1.00 45.03 C ATOM 774 CZ TYR A 48 -10.183 2.835 -15.265 1.00 43.12 C ATOM 775 OH TYR A 48 -9.637 2.564 -16.500 1.00 4.43 O ATOM 0 H TYR A 48 -12.635 6.096 -11.417 1.00 73.24 H new ATOM 0 HA TYR A 48 -13.829 3.575 -12.277 1.00 13.34 H new ATOM 0 HB2 TYR A 48 -11.289 4.437 -10.917 1.00 34.42 H new ATOM 0 HB3 TYR A 48 -11.821 2.771 -10.801 1.00 34.42 H new ATOM 0 HD1 TYR A 48 -10.947 5.435 -13.277 1.00 33.35 H new ATOM 0 HD2 TYR A 48 -11.489 1.266 -12.597 1.00 44.21 H new ATOM 0 HE1 TYR A 48 -9.972 4.949 -15.479 1.00 23.51 H new ATOM 0 HE2 TYR A 48 -10.507 0.778 -14.792 1.00 45.03 H new ATOM 0 HH TYR A 48 -9.622 1.595 -16.645 1.00 4.43 H new ATOM 785 N GLY A 49 -15.149 3.105 -10.263 1.00 73.41 N ATOM 786 CA GLY A 49 -15.937 2.800 -9.093 1.00 4.11 C ATOM 787 C GLY A 49 -15.458 1.546 -8.400 1.00 31.31 C ATOM 788 O GLY A 49 -16.002 0.460 -8.619 1.00 31.22 O ATOM 0 H GLY A 49 -15.508 2.714 -11.134 1.00 73.41 H new ATOM 0 HA2 GLY A 49 -15.893 3.638 -8.397 1.00 4.11 H new ATOM 0 HA3 GLY A 49 -16.981 2.679 -9.381 1.00 4.11 H new ATOM 792 N PHE A 50 -14.415 1.690 -7.598 1.00 61.33 N ATOM 793 CA PHE A 50 -13.924 0.597 -6.777 1.00 45.42 C ATOM 794 C PHE A 50 -14.726 0.505 -5.491 1.00 32.11 C ATOM 795 O PHE A 50 -15.006 1.517 -4.845 1.00 75.10 O ATOM 796 CB PHE A 50 -12.445 0.790 -6.448 1.00 5.45 C ATOM 797 CG PHE A 50 -11.514 0.185 -7.457 1.00 50.12 C ATOM 798 CD1 PHE A 50 -11.250 -1.177 -7.438 1.00 71.10 C ATOM 799 CD2 PHE A 50 -10.897 0.969 -8.415 1.00 73.25 C ATOM 800 CE1 PHE A 50 -10.389 -1.742 -8.358 1.00 72.23 C ATOM 801 CE2 PHE A 50 -10.037 0.408 -9.332 1.00 35.02 C ATOM 802 CZ PHE A 50 -9.780 -0.948 -9.306 1.00 52.52 C ATOM 0 H PHE A 50 -13.890 2.559 -7.499 1.00 61.33 H new ATOM 0 HA PHE A 50 -14.040 -0.329 -7.340 1.00 45.42 H new ATOM 0 HB2 PHE A 50 -12.237 1.857 -6.370 1.00 5.45 H new ATOM 0 HB3 PHE A 50 -12.240 0.353 -5.471 1.00 5.45 H new ATOM 0 HD1 PHE A 50 -11.723 -1.802 -6.695 1.00 71.10 H new ATOM 0 HD2 PHE A 50 -11.092 2.031 -8.444 1.00 73.25 H new ATOM 0 HE1 PHE A 50 -10.193 -2.804 -8.335 1.00 72.23 H new ATOM 0 HE2 PHE A 50 -9.561 1.031 -10.075 1.00 35.02 H new ATOM 0 HZ PHE A 50 -9.104 -1.385 -10.026 1.00 52.52 H new ATOM 812 N SER A 51 -15.120 -0.702 -5.133 1.00 10.04 N ATOM 813 CA SER A 51 -15.848 -0.926 -3.898 1.00 71.55 C ATOM 814 C SER A 51 -15.646 -2.350 -3.414 1.00 50.03 C ATOM 815 O SER A 51 -15.378 -3.254 -4.207 1.00 51.45 O ATOM 816 CB SER A 51 -17.341 -0.668 -4.095 1.00 53.41 C ATOM 817 OG SER A 51 -17.570 0.600 -4.677 1.00 41.31 O ATOM 0 H SER A 51 -14.948 -1.545 -5.681 1.00 10.04 H new ATOM 0 HA SER A 51 -15.462 -0.232 -3.152 1.00 71.55 H new ATOM 0 HB2 SER A 51 -17.766 -1.445 -4.731 1.00 53.41 H new ATOM 0 HB3 SER A 51 -17.853 -0.728 -3.134 1.00 53.41 H new ATOM 0 HG SER A 51 -18.521 0.693 -4.895 1.00 41.31 H new ATOM 823 N PHE A 52 -15.773 -2.547 -2.117 1.00 1.35 N ATOM 824 CA PHE A 52 -15.724 -3.880 -1.558 1.00 62.44 C ATOM 825 C PHE A 52 -17.104 -4.272 -1.056 1.00 33.11 C ATOM 826 O PHE A 52 -17.679 -3.594 -0.194 1.00 21.13 O ATOM 827 CB PHE A 52 -14.705 -3.978 -0.421 1.00 60.22 C ATOM 828 CG PHE A 52 -14.445 -5.400 -0.014 1.00 24.10 C ATOM 829 CD1 PHE A 52 -15.300 -6.057 0.857 1.00 52.31 C ATOM 830 CD2 PHE A 52 -13.360 -6.092 -0.528 1.00 2.55 C ATOM 831 CE1 PHE A 52 -15.078 -7.373 1.207 1.00 44.24 C ATOM 832 CE2 PHE A 52 -13.138 -7.410 -0.187 1.00 33.43 C ATOM 833 CZ PHE A 52 -13.997 -8.051 0.682 1.00 30.04 C ATOM 0 H PHE A 52 -15.910 -1.803 -1.433 1.00 1.35 H new ATOM 0 HA PHE A 52 -15.408 -4.566 -2.344 1.00 62.44 H new ATOM 0 HB2 PHE A 52 -13.769 -3.514 -0.733 1.00 60.22 H new ATOM 0 HB3 PHE A 52 -15.068 -3.416 0.440 1.00 60.22 H new ATOM 0 HD1 PHE A 52 -16.150 -5.532 1.267 1.00 52.31 H new ATOM 0 HD2 PHE A 52 -12.680 -5.594 -1.203 1.00 2.55 H new ATOM 0 HE1 PHE A 52 -15.749 -7.872 1.891 1.00 44.24 H new ATOM 0 HE2 PHE A 52 -12.292 -7.940 -0.600 1.00 33.43 H new ATOM 0 HZ PHE A 52 -13.823 -9.082 0.951 1.00 30.04 H new ATOM 843 N PHE A 53 -17.619 -5.369 -1.592 1.00 42.33 N ATOM 844 CA PHE A 53 -18.946 -5.846 -1.245 1.00 0.24 C ATOM 845 C PHE A 53 -18.890 -6.837 -0.097 1.00 13.44 C ATOM 846 O PHE A 53 -17.987 -7.668 -0.016 1.00 4.34 O ATOM 847 CB PHE A 53 -19.628 -6.488 -2.451 1.00 0.23 C ATOM 848 CG PHE A 53 -20.552 -5.553 -3.171 1.00 21.30 C ATOM 849 CD1 PHE A 53 -21.867 -5.422 -2.758 1.00 2.40 C ATOM 850 CD2 PHE A 53 -20.111 -4.802 -4.245 1.00 12.53 C ATOM 851 CE1 PHE A 53 -22.728 -4.558 -3.406 1.00 14.44 C ATOM 852 CE2 PHE A 53 -20.967 -3.937 -4.900 1.00 22.23 C ATOM 853 CZ PHE A 53 -22.278 -3.813 -4.478 1.00 1.54 C ATOM 0 H PHE A 53 -17.131 -5.949 -2.275 1.00 42.33 H new ATOM 0 HA PHE A 53 -19.531 -4.982 -0.929 1.00 0.24 H new ATOM 0 HB2 PHE A 53 -18.866 -6.843 -3.145 1.00 0.23 H new ATOM 0 HB3 PHE A 53 -20.190 -7.362 -2.121 1.00 0.23 H new ATOM 0 HD1 PHE A 53 -22.224 -6.002 -1.920 1.00 2.40 H new ATOM 0 HD2 PHE A 53 -19.087 -4.892 -4.575 1.00 12.53 H new ATOM 0 HE1 PHE A 53 -23.752 -4.465 -3.075 1.00 14.44 H new ATOM 0 HE2 PHE A 53 -20.612 -3.359 -5.740 1.00 22.23 H new ATOM 0 HZ PHE A 53 -22.948 -3.135 -4.986 1.00 1.54 H new ATOM 863 N ARG A 54 -19.865 -6.733 0.784 1.00 12.54 N ATOM 864 CA ARG A 54 -19.948 -7.571 1.965 1.00 35.24 C ATOM 865 C ARG A 54 -21.411 -7.866 2.283 1.00 72.15 C ATOM 866 O ARG A 54 -22.123 -6.989 2.769 1.00 32.22 O ATOM 867 CB ARG A 54 -19.300 -6.839 3.133 1.00 33.12 C ATOM 868 CG ARG A 54 -19.617 -7.421 4.498 1.00 70.23 C ATOM 869 CD ARG A 54 -19.084 -8.833 4.658 1.00 1.52 C ATOM 870 NE ARG A 54 -19.161 -9.261 6.052 1.00 63.10 N ATOM 871 CZ ARG A 54 -18.178 -9.066 6.923 1.00 25.23 C ATOM 872 NH1 ARG A 54 -17.069 -8.465 6.525 1.00 53.34 N ATOM 873 NH2 ARG A 54 -18.306 -9.441 8.192 1.00 73.13 N ATOM 0 H ARG A 54 -20.627 -6.060 0.701 1.00 12.54 H new ATOM 0 HA ARG A 54 -19.429 -8.513 1.790 1.00 35.24 H new ATOM 0 HB2 ARG A 54 -18.219 -6.844 2.993 1.00 33.12 H new ATOM 0 HB3 ARG A 54 -19.619 -5.797 3.114 1.00 33.12 H new ATOM 0 HG2 ARG A 54 -19.189 -6.783 5.271 1.00 70.23 H new ATOM 0 HG3 ARG A 54 -20.697 -7.423 4.648 1.00 70.23 H new ATOM 0 HD2 ARG A 54 -19.657 -9.516 4.031 1.00 1.52 H new ATOM 0 HD3 ARG A 54 -18.050 -8.877 4.316 1.00 1.52 H new ATOM 0 HE ARG A 54 -20.008 -9.731 6.371 1.00 63.10 H new ATOM 0 HH11 ARG A 54 -16.975 -8.156 5.557 1.00 53.34 H new ATOM 0 HH12 ARG A 54 -16.308 -8.310 7.186 1.00 53.34 H new ATOM 0 HH21 ARG A 54 -19.168 -9.885 8.508 1.00 73.13 H new ATOM 0 HH22 ARG A 54 -17.542 -9.285 8.850 1.00 73.13 H new ATOM 887 N HIS A 55 -21.866 -9.077 1.975 1.00 70.24 N ATOM 888 CA HIS A 55 -23.255 -9.474 2.230 1.00 45.03 C ATOM 889 C HIS A 55 -24.238 -8.606 1.451 1.00 31.13 C ATOM 890 O HIS A 55 -25.403 -8.483 1.827 1.00 52.54 O ATOM 891 CB HIS A 55 -23.579 -9.407 3.725 1.00 33.34 C ATOM 892 CG HIS A 55 -23.244 -10.656 4.478 1.00 11.15 C ATOM 893 ND1 HIS A 55 -24.195 -11.510 4.986 1.00 62.21 N ATOM 894 CD2 HIS A 55 -22.040 -11.179 4.836 1.00 42.03 C ATOM 895 CE1 HIS A 55 -23.563 -12.500 5.621 1.00 54.24 C ATOM 896 NE2 HIS A 55 -22.256 -12.348 5.561 1.00 53.43 N ATOM 0 H HIS A 55 -21.294 -9.805 1.547 1.00 70.24 H new ATOM 0 HA HIS A 55 -23.361 -10.504 1.890 1.00 45.03 H new ATOM 0 HB2 HIS A 55 -23.035 -8.572 4.167 1.00 33.34 H new ATOM 0 HB3 HIS A 55 -24.641 -9.196 3.847 1.00 33.34 H new ATOM 0 HD1 HIS A 55 -25.205 -11.405 4.894 1.00 62.21 H new ATOM 0 HD2 HIS A 55 -21.075 -10.757 4.597 1.00 42.03 H new ATOM 0 HE1 HIS A 55 -24.059 -13.320 6.119 1.00 54.24 H new ATOM 904 N GLY A 56 -23.772 -8.027 0.355 1.00 31.30 N ATOM 905 CA GLY A 56 -24.615 -7.151 -0.437 1.00 62.21 C ATOM 906 C GLY A 56 -24.500 -5.708 0.004 1.00 13.34 C ATOM 907 O GLY A 56 -25.109 -4.814 -0.588 1.00 3.51 O ATOM 0 H GLY A 56 -22.824 -8.147 -0.002 1.00 31.30 H new ATOM 0 HA2 GLY A 56 -24.338 -7.233 -1.488 1.00 62.21 H new ATOM 0 HA3 GLY A 56 -25.653 -7.474 -0.355 1.00 62.21 H new ATOM 911 N ASN A 57 -23.717 -5.478 1.048 1.00 1.01 N ATOM 912 CA ASN A 57 -23.482 -4.132 1.543 1.00 44.44 C ATOM 913 C ASN A 57 -22.142 -3.629 1.038 1.00 12.54 C ATOM 914 O ASN A 57 -21.403 -4.363 0.381 1.00 2.41 O ATOM 915 CB ASN A 57 -23.497 -4.080 3.075 1.00 3.12 C ATOM 916 CG ASN A 57 -24.667 -4.820 3.687 1.00 63.20 C ATOM 917 OD1 ASN A 57 -25.763 -4.280 3.823 1.00 5.33 O ATOM 918 ND2 ASN A 57 -24.428 -6.059 4.077 1.00 54.50 N ATOM 0 H ASN A 57 -23.233 -6.209 1.569 1.00 1.01 H new ATOM 0 HA ASN A 57 -24.287 -3.497 1.174 1.00 44.44 H new ATOM 0 HB2 ASN A 57 -22.568 -4.505 3.455 1.00 3.12 H new ATOM 0 HB3 ASN A 57 -23.526 -3.039 3.396 1.00 3.12 H new ATOM 0 HD21 ASN A 57 -25.169 -6.609 4.511 1.00 54.50 H new ATOM 0 HD22 ASN A 57 -23.502 -6.466 3.944 1.00 54.50 H new ATOM 925 N ILE A 58 -21.827 -2.392 1.366 1.00 75.34 N ATOM 926 CA ILE A 58 -20.579 -1.782 0.943 1.00 44.23 C ATOM 927 C ILE A 58 -19.727 -1.439 2.152 1.00 11.23 C ATOM 928 O ILE A 58 -20.089 -0.588 2.966 1.00 44.23 O ATOM 929 CB ILE A 58 -20.826 -0.509 0.100 1.00 60.34 C ATOM 930 CG1 ILE A 58 -21.375 -0.879 -1.282 1.00 64.52 C ATOM 931 CG2 ILE A 58 -19.549 0.314 -0.035 1.00 65.24 C ATOM 932 CD1 ILE A 58 -20.343 -1.482 -2.214 1.00 35.22 C ATOM 0 H ILE A 58 -22.422 -1.784 1.929 1.00 75.34 H new ATOM 0 HA ILE A 58 -20.053 -2.505 0.319 1.00 44.23 H new ATOM 0 HB ILE A 58 -21.567 0.100 0.617 1.00 60.34 H new ATOM 0 HG12 ILE A 58 -22.195 -1.586 -1.158 1.00 64.52 H new ATOM 0 HG13 ILE A 58 -21.792 0.014 -1.747 1.00 64.52 H new ATOM 0 HG21 ILE A 58 -19.751 1.203 -0.632 1.00 65.24 H new ATOM 0 HG22 ILE A 58 -19.202 0.612 0.954 1.00 65.24 H new ATOM 0 HG23 ILE A 58 -18.780 -0.285 -0.524 1.00 65.24 H new ATOM 0 HD11 ILE A 58 -20.810 -1.716 -3.171 1.00 35.22 H new ATOM 0 HD12 ILE A 58 -19.533 -0.769 -2.370 1.00 35.22 H new ATOM 0 HD13 ILE A 58 -19.943 -2.395 -1.772 1.00 35.22 H new ATOM 944 N VAL A 59 -18.608 -2.127 2.274 1.00 23.54 N ATOM 945 CA VAL A 59 -17.663 -1.857 3.345 1.00 63.33 C ATOM 946 C VAL A 59 -16.647 -0.828 2.888 1.00 3.54 C ATOM 947 O VAL A 59 -16.234 0.045 3.652 1.00 73.34 O ATOM 948 CB VAL A 59 -16.941 -3.142 3.801 1.00 73.03 C ATOM 949 CG1 VAL A 59 -15.824 -2.832 4.785 1.00 15.13 C ATOM 950 CG2 VAL A 59 -17.932 -4.103 4.424 1.00 13.51 C ATOM 0 H VAL A 59 -18.329 -2.879 1.644 1.00 23.54 H new ATOM 0 HA VAL A 59 -18.222 -1.467 4.196 1.00 63.33 H new ATOM 0 HB VAL A 59 -16.494 -3.606 2.922 1.00 73.03 H new ATOM 0 HG11 VAL A 59 -15.336 -3.759 5.086 1.00 15.13 H new ATOM 0 HG12 VAL A 59 -15.094 -2.175 4.312 1.00 15.13 H new ATOM 0 HG13 VAL A 59 -16.240 -2.339 5.664 1.00 15.13 H new ATOM 0 HG21 VAL A 59 -17.412 -5.006 4.742 1.00 13.51 H new ATOM 0 HG22 VAL A 59 -18.402 -3.632 5.287 1.00 13.51 H new ATOM 0 HG23 VAL A 59 -18.696 -4.363 3.692 1.00 13.51 H new ATOM 960 N ALA A 60 -16.267 -0.918 1.625 1.00 20.41 N ATOM 961 CA ALA A 60 -15.316 0.018 1.061 1.00 43.41 C ATOM 962 C ALA A 60 -15.863 0.637 -0.205 1.00 63.43 C ATOM 963 O ALA A 60 -16.437 -0.054 -1.043 1.00 15.11 O ATOM 964 CB ALA A 60 -13.992 -0.663 0.772 1.00 63.41 C ATOM 0 H ALA A 60 -16.602 -1.628 0.974 1.00 20.41 H new ATOM 0 HA ALA A 60 -15.149 0.806 1.795 1.00 43.41 H new ATOM 0 HB1 ALA A 60 -13.295 0.061 0.349 1.00 63.41 H new ATOM 0 HB2 ALA A 60 -13.580 -1.065 1.698 1.00 63.41 H new ATOM 0 HB3 ALA A 60 -14.148 -1.475 0.061 1.00 63.41 H new ATOM 970 N TYR A 61 -15.690 1.935 -0.335 1.00 23.30 N ATOM 971 CA TYR A 61 -16.064 2.627 -1.548 1.00 25.33 C ATOM 972 C TYR A 61 -14.999 3.646 -1.908 1.00 13.23 C ATOM 973 O TYR A 61 -14.598 4.458 -1.072 1.00 53.53 O ATOM 974 CB TYR A 61 -17.420 3.314 -1.397 1.00 44.40 C ATOM 975 CG TYR A 61 -17.878 3.982 -2.675 1.00 23.23 C ATOM 976 CD1 TYR A 61 -18.367 3.224 -3.726 1.00 15.33 C ATOM 977 CD2 TYR A 61 -17.801 5.359 -2.838 1.00 25.13 C ATOM 978 CE1 TYR A 61 -18.767 3.811 -4.907 1.00 54.42 C ATOM 979 CE2 TYR A 61 -18.203 5.958 -4.015 1.00 13.25 C ATOM 980 CZ TYR A 61 -18.684 5.181 -5.047 1.00 72.02 C ATOM 981 OH TYR A 61 -19.081 5.778 -6.222 1.00 15.51 O ATOM 0 H TYR A 61 -15.291 2.534 0.388 1.00 23.30 H new ATOM 0 HA TYR A 61 -16.147 1.892 -2.349 1.00 25.33 H new ATOM 0 HB2 TYR A 61 -18.163 2.579 -1.089 1.00 44.40 H new ATOM 0 HB3 TYR A 61 -17.360 4.059 -0.603 1.00 44.40 H new ATOM 0 HD1 TYR A 61 -18.436 2.152 -3.618 1.00 15.33 H new ATOM 0 HD2 TYR A 61 -17.421 5.970 -2.032 1.00 25.13 H new ATOM 0 HE1 TYR A 61 -19.143 3.203 -5.717 1.00 54.42 H new ATOM 0 HE2 TYR A 61 -18.141 7.030 -4.127 1.00 13.25 H new ATOM 0 HH TYR A 61 -19.063 6.752 -6.116 1.00 15.51 H new ATOM 991 N GLY A 62 -14.540 3.586 -3.144 1.00 31.23 N ATOM 992 CA GLY A 62 -13.528 4.501 -3.610 1.00 64.21 C ATOM 993 C GLY A 62 -13.694 4.814 -5.077 1.00 13.53 C ATOM 994 O GLY A 62 -13.198 4.086 -5.932 1.00 43.32 O ATOM 0 H GLY A 62 -14.855 2.911 -3.840 1.00 31.23 H new ATOM 0 HA2 GLY A 62 -13.578 5.424 -3.033 1.00 64.21 H new ATOM 0 HA3 GLY A 62 -12.541 4.071 -3.439 1.00 64.21 H new ATOM 998 N LYS A 63 -14.419 5.877 -5.369 1.00 42.55 N ATOM 999 CA LYS A 63 -14.605 6.319 -6.734 1.00 25.22 C ATOM 1000 C LYS A 63 -13.665 7.477 -7.034 1.00 64.34 C ATOM 1001 O LYS A 63 -13.753 8.534 -6.409 1.00 50.31 O ATOM 1002 CB LYS A 63 -16.049 6.754 -6.939 1.00 42.03 C ATOM 1003 CG LYS A 63 -16.340 7.271 -8.333 1.00 71.32 C ATOM 1004 CD LYS A 63 -17.741 7.835 -8.415 1.00 12.43 C ATOM 1005 CE LYS A 63 -17.897 9.061 -7.527 1.00 40.30 C ATOM 1006 NZ LYS A 63 -19.300 9.548 -7.474 1.00 42.20 N ATOM 0 H LYS A 63 -14.891 6.453 -4.672 1.00 42.55 H new ATOM 0 HA LYS A 63 -14.380 5.496 -7.413 1.00 25.22 H new ATOM 0 HB2 LYS A 63 -16.706 5.910 -6.730 1.00 42.03 H new ATOM 0 HB3 LYS A 63 -16.290 7.532 -6.215 1.00 42.03 H new ATOM 0 HG2 LYS A 63 -15.617 8.042 -8.598 1.00 71.32 H new ATOM 0 HG3 LYS A 63 -16.225 6.464 -9.056 1.00 71.32 H new ATOM 0 HD2 LYS A 63 -17.969 8.100 -9.448 1.00 12.43 H new ATOM 0 HD3 LYS A 63 -18.460 7.073 -8.116 1.00 12.43 H new ATOM 0 HE2 LYS A 63 -17.560 8.821 -6.518 1.00 40.30 H new ATOM 0 HE3 LYS A 63 -17.252 9.858 -7.897 1.00 40.30 H new ATOM 0 HZ1 LYS A 63 -19.354 10.384 -6.857 1.00 42.20 H new ATOM 0 HZ2 LYS A 63 -19.615 9.803 -8.432 1.00 42.20 H new ATOM 0 HZ3 LYS A 63 -19.914 8.798 -7.096 1.00 42.20 H new ATOM 1020 N SER A 64 -12.762 7.283 -7.977 1.00 2.15 N ATOM 1021 CA SER A 64 -11.801 8.317 -8.311 1.00 13.43 C ATOM 1022 C SER A 64 -11.496 8.309 -9.802 1.00 61.24 C ATOM 1023 O SER A 64 -11.807 7.347 -10.507 1.00 2.54 O ATOM 1024 CB SER A 64 -10.518 8.126 -7.499 1.00 40.43 C ATOM 1025 OG SER A 64 -9.608 9.193 -7.704 1.00 64.44 O ATOM 0 H SER A 64 -12.674 6.425 -8.522 1.00 2.15 H new ATOM 0 HA SER A 64 -12.233 9.285 -8.060 1.00 13.43 H new ATOM 0 HB2 SER A 64 -10.764 8.055 -6.440 1.00 40.43 H new ATOM 0 HB3 SER A 64 -10.045 7.185 -7.780 1.00 40.43 H new ATOM 0 HG SER A 64 -9.778 9.899 -7.046 1.00 64.44 H new ATOM 1031 N ARG A 65 -10.895 9.394 -10.272 1.00 14.04 N ATOM 1032 CA ARG A 65 -10.559 9.548 -11.680 1.00 64.23 C ATOM 1033 C ARG A 65 -9.436 8.594 -12.068 1.00 21.10 C ATOM 1034 O ARG A 65 -9.368 8.121 -13.203 1.00 43.02 O ATOM 1035 CB ARG A 65 -10.163 11.004 -11.957 1.00 0.23 C ATOM 1036 CG ARG A 65 -9.663 11.259 -13.368 1.00 64.41 C ATOM 1037 CD ARG A 65 -9.400 12.738 -13.598 1.00 53.42 C ATOM 1038 NE ARG A 65 -8.635 12.973 -14.822 1.00 34.24 N ATOM 1039 CZ ARG A 65 -8.943 13.892 -15.733 1.00 23.10 C ATOM 1040 NH1 ARG A 65 -10.044 14.624 -15.597 1.00 62.31 N ATOM 1041 NH2 ARG A 65 -8.150 14.069 -16.783 1.00 45.33 N ATOM 0 H ARG A 65 -10.628 10.188 -9.691 1.00 14.04 H new ATOM 0 HA ARG A 65 -11.430 9.300 -12.286 1.00 64.23 H new ATOM 0 HB2 ARG A 65 -11.024 11.645 -11.768 1.00 0.23 H new ATOM 0 HB3 ARG A 65 -9.387 11.298 -11.251 1.00 0.23 H new ATOM 0 HG2 ARG A 65 -8.748 10.693 -13.540 1.00 64.41 H new ATOM 0 HG3 ARG A 65 -10.399 10.901 -14.088 1.00 64.41 H new ATOM 0 HD2 ARG A 65 -10.349 13.271 -13.656 1.00 53.42 H new ATOM 0 HD3 ARG A 65 -8.856 13.147 -12.746 1.00 53.42 H new ATOM 0 HE ARG A 65 -7.812 12.394 -14.988 1.00 34.24 H new ATOM 0 HH11 ARG A 65 -10.655 14.482 -14.793 1.00 62.31 H new ATOM 0 HH12 ARG A 65 -10.278 15.328 -16.297 1.00 62.31 H new ATOM 0 HH21 ARG A 65 -7.309 13.502 -16.888 1.00 45.33 H new ATOM 0 HH22 ARG A 65 -8.382 14.772 -17.484 1.00 45.33 H new ATOM 1055 N LYS A 66 -8.573 8.302 -11.109 1.00 14.44 N ATOM 1056 CA LYS A 66 -7.477 7.377 -11.327 1.00 61.31 C ATOM 1057 C LYS A 66 -7.816 6.018 -10.727 1.00 1.11 C ATOM 1058 O LYS A 66 -8.277 5.934 -9.587 1.00 42.11 O ATOM 1059 CB LYS A 66 -6.185 7.919 -10.717 1.00 24.22 C ATOM 1060 CG LYS A 66 -5.755 9.258 -11.295 1.00 33.12 C ATOM 1061 CD LYS A 66 -4.397 9.689 -10.764 1.00 5.14 C ATOM 1062 CE LYS A 66 -3.301 8.720 -11.185 1.00 1.21 C ATOM 1063 NZ LYS A 66 -1.954 9.188 -10.768 1.00 10.45 N ATOM 0 H LYS A 66 -8.612 8.695 -10.169 1.00 14.44 H new ATOM 0 HA LYS A 66 -7.326 7.263 -12.400 1.00 61.31 H new ATOM 0 HB2 LYS A 66 -6.317 8.023 -9.640 1.00 24.22 H new ATOM 0 HB3 LYS A 66 -5.387 7.193 -10.872 1.00 24.22 H new ATOM 0 HG2 LYS A 66 -5.716 9.189 -12.382 1.00 33.12 H new ATOM 0 HG3 LYS A 66 -6.499 10.016 -11.050 1.00 33.12 H new ATOM 0 HD2 LYS A 66 -4.162 10.688 -11.131 1.00 5.14 H new ATOM 0 HD3 LYS A 66 -4.433 9.749 -9.676 1.00 5.14 H new ATOM 0 HE2 LYS A 66 -3.496 7.740 -10.748 1.00 1.21 H new ATOM 0 HE3 LYS A 66 -3.323 8.596 -12.268 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 -1.237 8.500 -11.074 1.00 10.45 H new ATOM 0 HZ2 LYS A 66 -1.757 10.111 -11.205 1.00 10.45 H new ATOM 0 HZ3 LYS A 66 -1.924 9.282 -9.733 1.00 10.45 H new ATOM 1077 N VAL A 67 -7.573 4.966 -11.499 1.00 51.43 N ATOM 1078 CA VAL A 67 -7.930 3.605 -11.108 1.00 11.13 C ATOM 1079 C VAL A 67 -7.239 3.200 -9.801 1.00 14.41 C ATOM 1080 O VAL A 67 -7.870 2.656 -8.897 1.00 1.31 O ATOM 1081 CB VAL A 67 -7.590 2.599 -12.245 1.00 1.42 C ATOM 1082 CG1 VAL A 67 -6.114 2.630 -12.598 1.00 44.32 C ATOM 1083 CG2 VAL A 67 -8.010 1.185 -11.888 1.00 43.31 C ATOM 0 H VAL A 67 -7.124 5.030 -12.412 1.00 51.43 H new ATOM 0 HA VAL A 67 -9.006 3.580 -10.936 1.00 11.13 H new ATOM 0 HB VAL A 67 -8.159 2.915 -13.120 1.00 1.42 H new ATOM 0 HG11 VAL A 67 -5.916 1.914 -13.396 1.00 44.32 H new ATOM 0 HG12 VAL A 67 -5.841 3.631 -12.932 1.00 44.32 H new ATOM 0 HG13 VAL A 67 -5.524 2.367 -11.720 1.00 44.32 H new ATOM 0 HG21 VAL A 67 -7.756 0.512 -12.707 1.00 43.31 H new ATOM 0 HG22 VAL A 67 -7.490 0.868 -10.984 1.00 43.31 H new ATOM 0 HG23 VAL A 67 -9.086 1.157 -11.717 1.00 43.31 H new ATOM 1093 N ALA A 68 -5.951 3.500 -9.702 1.00 4.23 N ATOM 1094 CA ALA A 68 -5.171 3.173 -8.519 1.00 62.54 C ATOM 1095 C ALA A 68 -5.589 4.010 -7.320 1.00 74.42 C ATOM 1096 O ALA A 68 -5.566 3.531 -6.191 1.00 75.11 O ATOM 1097 CB ALA A 68 -3.692 3.363 -8.797 1.00 71.04 C ATOM 0 H ALA A 68 -5.422 3.973 -10.434 1.00 4.23 H new ATOM 0 HA ALA A 68 -5.361 2.127 -8.277 1.00 62.54 H new ATOM 0 HB1 ALA A 68 -3.119 3.115 -7.904 1.00 71.04 H new ATOM 0 HB2 ALA A 68 -3.389 2.710 -9.615 1.00 71.04 H new ATOM 0 HB3 ALA A 68 -3.504 4.401 -9.072 1.00 71.04 H new ATOM 1103 N ASN A 69 -5.978 5.258 -7.562 1.00 3.00 N ATOM 1104 CA ASN A 69 -6.370 6.143 -6.470 1.00 13.03 C ATOM 1105 C ASN A 69 -7.710 5.700 -5.904 1.00 71.32 C ATOM 1106 O ASN A 69 -7.896 5.638 -4.691 1.00 61.10 O ATOM 1107 CB ASN A 69 -6.467 7.596 -6.933 1.00 1.10 C ATOM 1108 CG ASN A 69 -6.553 8.559 -5.762 1.00 3.15 C ATOM 1109 OD1 ASN A 69 -5.942 8.337 -4.715 1.00 43.53 O ATOM 1110 ND2 ASN A 69 -7.321 9.622 -5.922 1.00 61.15 N ATOM 0 H ASN A 69 -6.030 5.675 -8.491 1.00 3.00 H new ATOM 0 HA ASN A 69 -5.602 6.083 -5.699 1.00 13.03 H new ATOM 0 HB2 ASN A 69 -5.597 7.842 -7.542 1.00 1.10 H new ATOM 0 HB3 ASN A 69 -7.345 7.717 -7.568 1.00 1.10 H new ATOM 0 HD21 ASN A 69 -7.425 10.295 -5.163 1.00 61.15 H new ATOM 0 HD22 ASN A 69 -7.810 9.770 -6.805 1.00 61.15 H new ATOM 1117 N ALA A 70 -8.636 5.394 -6.805 1.00 63.31 N ATOM 1118 CA ALA A 70 -9.935 4.844 -6.439 1.00 22.41 C ATOM 1119 C ALA A 70 -9.757 3.598 -5.586 1.00 0.51 C ATOM 1120 O ALA A 70 -10.372 3.435 -4.528 1.00 51.13 O ATOM 1121 CB ALA A 70 -10.701 4.500 -7.703 1.00 24.43 C ATOM 0 H ALA A 70 -8.507 5.520 -7.809 1.00 63.31 H new ATOM 0 HA ALA A 70 -10.491 5.582 -5.861 1.00 22.41 H new ATOM 0 HB1 ALA A 70 -11.674 4.088 -7.438 1.00 24.43 H new ATOM 0 HB2 ALA A 70 -10.839 5.401 -8.301 1.00 24.43 H new ATOM 0 HB3 ALA A 70 -10.140 3.764 -8.279 1.00 24.43 H new ATOM 1127 N LYS A 71 -8.884 2.743 -6.077 1.00 42.53 N ATOM 1128 CA LYS A 71 -8.537 1.494 -5.439 1.00 11.41 C ATOM 1129 C LYS A 71 -7.915 1.756 -4.068 1.00 45.54 C ATOM 1130 O LYS A 71 -8.229 1.078 -3.093 1.00 73.01 O ATOM 1131 CB LYS A 71 -7.552 0.798 -6.360 1.00 33.13 C ATOM 1132 CG LYS A 71 -7.382 -0.686 -6.154 1.00 14.43 C ATOM 1133 CD LYS A 71 -6.506 -1.254 -7.257 1.00 52.00 C ATOM 1134 CE LYS A 71 -5.212 -0.472 -7.368 1.00 63.05 C ATOM 1135 NZ LYS A 71 -4.278 -1.077 -8.348 1.00 54.03 N ATOM 0 H LYS A 71 -8.385 2.903 -6.952 1.00 42.53 H new ATOM 0 HA LYS A 71 -9.417 0.872 -5.276 1.00 11.41 H new ATOM 0 HB2 LYS A 71 -7.868 0.967 -7.390 1.00 33.13 H new ATOM 0 HB3 LYS A 71 -6.578 1.274 -6.243 1.00 33.13 H new ATOM 0 HG2 LYS A 71 -6.931 -0.879 -5.181 1.00 14.43 H new ATOM 0 HG3 LYS A 71 -8.355 -1.178 -6.158 1.00 14.43 H new ATOM 0 HD2 LYS A 71 -6.287 -2.302 -7.052 1.00 52.00 H new ATOM 0 HD3 LYS A 71 -7.040 -1.220 -8.207 1.00 52.00 H new ATOM 0 HE2 LYS A 71 -5.433 0.554 -7.664 1.00 63.05 H new ATOM 0 HE3 LYS A 71 -4.732 -0.426 -6.391 1.00 63.05 H new ATOM 0 HZ1 LYS A 71 -3.407 -0.511 -8.392 1.00 54.03 H new ATOM 0 HZ2 LYS A 71 -4.046 -2.047 -8.053 1.00 54.03 H new ATOM 0 HZ3 LYS A 71 -4.725 -1.098 -9.287 1.00 54.03 H new ATOM 1149 N TYR A 72 -7.035 2.753 -4.012 1.00 4.33 N ATOM 1150 CA TYR A 72 -6.408 3.187 -2.766 1.00 64.42 C ATOM 1151 C TYR A 72 -7.461 3.554 -1.728 1.00 4.04 C ATOM 1152 O TYR A 72 -7.395 3.120 -0.575 1.00 2.02 O ATOM 1153 CB TYR A 72 -5.497 4.393 -3.040 1.00 1.42 C ATOM 1154 CG TYR A 72 -5.073 5.156 -1.801 1.00 0.54 C ATOM 1155 CD1 TYR A 72 -3.986 4.744 -1.042 1.00 55.43 C ATOM 1156 CD2 TYR A 72 -5.764 6.294 -1.398 1.00 13.20 C ATOM 1157 CE1 TYR A 72 -3.602 5.442 0.089 1.00 42.21 C ATOM 1158 CE2 TYR A 72 -5.386 6.995 -0.268 1.00 63.30 C ATOM 1159 CZ TYR A 72 -4.304 6.566 0.471 1.00 14.04 C ATOM 1160 OH TYR A 72 -3.926 7.259 1.600 1.00 15.53 O ATOM 0 H TYR A 72 -6.736 3.283 -4.830 1.00 4.33 H new ATOM 0 HA TYR A 72 -5.813 2.364 -2.371 1.00 64.42 H new ATOM 0 HB2 TYR A 72 -4.604 4.047 -3.561 1.00 1.42 H new ATOM 0 HB3 TYR A 72 -6.014 5.077 -3.713 1.00 1.42 H new ATOM 0 HD1 TYR A 72 -3.432 3.866 -1.339 1.00 55.43 H new ATOM 0 HD2 TYR A 72 -6.609 6.635 -1.977 1.00 13.20 H new ATOM 0 HE1 TYR A 72 -2.756 5.108 0.671 1.00 42.21 H new ATOM 0 HE2 TYR A 72 -5.935 7.874 0.034 1.00 63.30 H new ATOM 0 HH TYR A 72 -4.523 8.026 1.728 1.00 15.53 H new ATOM 1170 N ILE A 73 -8.431 4.351 -2.153 1.00 24.05 N ATOM 1171 CA ILE A 73 -9.485 4.832 -1.272 1.00 0.22 C ATOM 1172 C ILE A 73 -10.237 3.679 -0.627 1.00 52.12 C ATOM 1173 O ILE A 73 -10.349 3.611 0.599 1.00 72.14 O ATOM 1174 CB ILE A 73 -10.484 5.714 -2.038 1.00 14.33 C ATOM 1175 CG1 ILE A 73 -9.769 6.938 -2.601 1.00 53.14 C ATOM 1176 CG2 ILE A 73 -11.635 6.135 -1.132 1.00 0.23 C ATOM 1177 CD1 ILE A 73 -10.474 7.548 -3.786 1.00 11.00 C ATOM 0 H ILE A 73 -8.509 4.681 -3.115 1.00 24.05 H new ATOM 0 HA ILE A 73 -9.003 5.423 -0.493 1.00 0.22 H new ATOM 0 HB ILE A 73 -10.899 5.137 -2.865 1.00 14.33 H new ATOM 0 HG12 ILE A 73 -9.676 7.689 -1.816 1.00 53.14 H new ATOM 0 HG13 ILE A 73 -8.758 6.657 -2.894 1.00 53.14 H new ATOM 0 HG21 ILE A 73 -12.331 6.759 -1.693 1.00 0.23 H new ATOM 0 HG22 ILE A 73 -12.155 5.249 -0.768 1.00 0.23 H new ATOM 0 HG23 ILE A 73 -11.244 6.699 -0.285 1.00 0.23 H new ATOM 0 HD11 ILE A 73 -9.913 8.414 -4.137 1.00 11.00 H new ATOM 0 HD12 ILE A 73 -10.543 6.812 -4.587 1.00 11.00 H new ATOM 0 HD13 ILE A 73 -11.476 7.860 -3.492 1.00 11.00 H new ATOM 1189 N MET A 74 -10.744 2.768 -1.452 1.00 73.32 N ATOM 1190 CA MET A 74 -11.506 1.639 -0.939 1.00 12.10 C ATOM 1191 C MET A 74 -10.624 0.751 -0.062 1.00 72.14 C ATOM 1192 O MET A 74 -11.069 0.259 0.976 1.00 0.34 O ATOM 1193 CB MET A 74 -12.127 0.812 -2.071 1.00 62.02 C ATOM 1194 CG MET A 74 -11.113 0.116 -2.945 1.00 73.20 C ATOM 1195 SD MET A 74 -11.807 -1.298 -3.807 1.00 50.32 S ATOM 1196 CE MET A 74 -10.355 -2.329 -3.858 1.00 72.22 C ATOM 0 H MET A 74 -10.642 2.790 -2.467 1.00 73.32 H new ATOM 0 HA MET A 74 -12.319 2.042 -0.335 1.00 12.10 H new ATOM 0 HB2 MET A 74 -12.794 0.066 -1.639 1.00 62.02 H new ATOM 0 HB3 MET A 74 -12.740 1.466 -2.692 1.00 62.02 H new ATOM 0 HG2 MET A 74 -10.718 0.824 -3.674 1.00 73.20 H new ATOM 0 HG3 MET A 74 -10.273 -0.212 -2.332 1.00 73.20 H new ATOM 0 HE1 MET A 74 -10.524 -3.163 -4.539 1.00 72.22 H new ATOM 0 HE2 MET A 74 -9.505 -1.743 -4.206 1.00 72.22 H new ATOM 0 HE3 MET A 74 -10.146 -2.713 -2.860 1.00 72.22 H new ATOM 1206 N LYS A 75 -9.369 0.562 -0.466 1.00 31.23 N ATOM 1207 CA LYS A 75 -8.443 -0.237 0.317 1.00 60.14 C ATOM 1208 C LYS A 75 -8.295 0.326 1.726 1.00 3.40 C ATOM 1209 O LYS A 75 -8.408 -0.409 2.702 1.00 54.41 O ATOM 1210 CB LYS A 75 -7.084 -0.324 -0.381 1.00 74.45 C ATOM 1211 CG LYS A 75 -7.078 -1.294 -1.553 1.00 24.44 C ATOM 1212 CD LYS A 75 -5.832 -1.144 -2.405 1.00 73.24 C ATOM 1213 CE LYS A 75 -5.745 -2.236 -3.464 1.00 23.23 C ATOM 1214 NZ LYS A 75 -5.608 -3.594 -2.874 1.00 53.21 N ATOM 0 H LYS A 75 -8.977 0.950 -1.324 1.00 31.23 H new ATOM 0 HA LYS A 75 -8.849 -1.245 0.400 1.00 60.14 H new ATOM 0 HB2 LYS A 75 -6.800 0.667 -0.735 1.00 74.45 H new ATOM 0 HB3 LYS A 75 -6.329 -0.632 0.343 1.00 74.45 H new ATOM 0 HG2 LYS A 75 -7.141 -2.316 -1.179 1.00 24.44 H new ATOM 0 HG3 LYS A 75 -7.961 -1.125 -2.169 1.00 24.44 H new ATOM 0 HD2 LYS A 75 -5.836 -0.167 -2.888 1.00 73.24 H new ATOM 0 HD3 LYS A 75 -4.948 -1.182 -1.768 1.00 73.24 H new ATOM 0 HE2 LYS A 75 -6.638 -2.203 -4.089 1.00 23.23 H new ATOM 0 HE3 LYS A 75 -4.893 -2.039 -4.115 1.00 23.23 H new ATOM 0 HZ1 LYS A 75 -4.835 -4.103 -3.349 1.00 53.21 H new ATOM 0 HZ2 LYS A 75 -5.396 -3.512 -1.859 1.00 53.21 H new ATOM 0 HZ3 LYS A 75 -6.497 -4.119 -3.000 1.00 53.21 H new ATOM 1228 N GLN A 76 -8.089 1.633 1.825 1.00 2.54 N ATOM 1229 CA GLN A 76 -7.940 2.296 3.123 1.00 73.22 C ATOM 1230 C GLN A 76 -9.183 2.124 3.993 1.00 51.01 C ATOM 1231 O GLN A 76 -9.097 2.154 5.222 1.00 14.22 O ATOM 1232 CB GLN A 76 -7.651 3.786 2.931 1.00 1.34 C ATOM 1233 CG GLN A 76 -6.274 4.065 2.362 1.00 1.41 C ATOM 1234 CD GLN A 76 -5.166 3.581 3.275 1.00 1.05 C ATOM 1235 OE1 GLN A 76 -5.314 3.560 4.497 1.00 31.03 O ATOM 1236 NE2 GLN A 76 -4.051 3.183 2.688 1.00 23.34 N ATOM 0 H GLN A 76 -8.021 2.260 1.023 1.00 2.54 H new ATOM 0 HA GLN A 76 -7.100 1.824 3.633 1.00 73.22 H new ATOM 0 HB2 GLN A 76 -8.403 4.212 2.267 1.00 1.34 H new ATOM 0 HB3 GLN A 76 -7.749 4.294 3.890 1.00 1.34 H new ATOM 0 HG2 GLN A 76 -6.179 3.580 1.391 1.00 1.41 H new ATOM 0 HG3 GLN A 76 -6.162 5.136 2.195 1.00 1.41 H new ATOM 0 HE21 GLN A 76 -3.970 3.217 1.672 1.00 23.34 H new ATOM 0 HE22 GLN A 76 -3.272 2.842 3.251 1.00 23.34 H new ATOM 1245 N ARG A 77 -10.329 1.932 3.353 1.00 0.52 N ATOM 1246 CA ARG A 77 -11.587 1.768 4.068 1.00 61.01 C ATOM 1247 C ARG A 77 -11.553 0.523 4.947 1.00 21.53 C ATOM 1248 O ARG A 77 -11.678 0.619 6.168 1.00 54.21 O ATOM 1249 CB ARG A 77 -12.757 1.691 3.087 1.00 12.22 C ATOM 1250 CG ARG A 77 -12.907 2.921 2.199 1.00 10.32 C ATOM 1251 CD ARG A 77 -13.459 4.124 2.954 1.00 33.10 C ATOM 1252 NE ARG A 77 -12.534 4.642 3.964 1.00 62.35 N ATOM 1253 CZ ARG A 77 -12.854 4.786 5.251 1.00 53.23 C ATOM 1254 NH1 ARG A 77 -14.014 4.324 5.701 1.00 34.45 N ATOM 1255 NH2 ARG A 77 -12.000 5.357 6.096 1.00 5.25 N ATOM 0 H ARG A 77 -10.413 1.886 2.337 1.00 0.52 H new ATOM 0 HA ARG A 77 -11.726 2.638 4.709 1.00 61.01 H new ATOM 0 HB2 ARG A 77 -12.629 0.813 2.454 1.00 12.22 H new ATOM 0 HB3 ARG A 77 -13.680 1.547 3.649 1.00 12.22 H new ATOM 0 HG2 ARG A 77 -11.937 3.178 1.773 1.00 10.32 H new ATOM 0 HG3 ARG A 77 -13.569 2.685 1.366 1.00 10.32 H new ATOM 0 HD2 ARG A 77 -13.692 4.916 2.243 1.00 33.10 H new ATOM 0 HD3 ARG A 77 -14.395 3.844 3.437 1.00 33.10 H new ATOM 0 HE ARG A 77 -11.595 4.907 3.668 1.00 62.35 H new ATOM 0 HH11 ARG A 77 -14.660 3.859 5.063 1.00 34.45 H new ATOM 0 HH12 ARG A 77 -14.259 4.434 6.685 1.00 34.45 H new ATOM 0 HH21 ARG A 77 -11.095 5.687 5.761 1.00 5.25 H new ATOM 0 HH22 ARG A 77 -12.250 5.464 7.079 1.00 5.25 H new ATOM 1269 N LEU A 78 -11.372 -0.647 4.336 1.00 12.52 N ATOM 1270 CA LEU A 78 -11.305 -1.881 5.121 1.00 44.34 C ATOM 1271 C LEU A 78 -10.017 -1.920 5.927 1.00 74.01 C ATOM 1272 O LEU A 78 -9.988 -2.455 7.033 1.00 2.24 O ATOM 1273 CB LEU A 78 -11.371 -3.141 4.258 1.00 23.00 C ATOM 1274 CG LEU A 78 -12.181 -3.045 2.971 1.00 74.12 C ATOM 1275 CD1 LEU A 78 -11.277 -2.698 1.797 1.00 24.24 C ATOM 1276 CD2 LEU A 78 -12.901 -4.350 2.720 1.00 13.54 C ATOM 0 H LEU A 78 -11.271 -0.768 3.328 1.00 12.52 H new ATOM 0 HA LEU A 78 -12.176 -1.873 5.776 1.00 44.34 H new ATOM 0 HB2 LEU A 78 -10.353 -3.430 3.999 1.00 23.00 H new ATOM 0 HB3 LEU A 78 -11.787 -3.947 4.863 1.00 23.00 H new ATOM 0 HG LEU A 78 -12.920 -2.250 3.077 1.00 74.12 H new ATOM 0 HD11 LEU A 78 -11.872 -2.634 0.886 1.00 24.24 H new ATOM 0 HD12 LEU A 78 -10.792 -1.740 1.982 1.00 24.24 H new ATOM 0 HD13 LEU A 78 -10.518 -3.472 1.681 1.00 24.24 H new ATOM 0 HD21 LEU A 78 -13.479 -4.276 1.799 1.00 13.54 H new ATOM 0 HD22 LEU A 78 -12.173 -5.156 2.628 1.00 13.54 H new ATOM 0 HD23 LEU A 78 -13.572 -4.561 3.553 1.00 13.54 H new ATOM 1288 N LEU A 79 -8.956 -1.351 5.355 1.00 40.13 N ATOM 1289 CA LEU A 79 -7.645 -1.317 5.996 1.00 43.21 C ATOM 1290 C LEU A 79 -7.773 -0.762 7.406 1.00 71.21 C ATOM 1291 O LEU A 79 -7.328 -1.375 8.372 1.00 21.13 O ATOM 1292 CB LEU A 79 -6.680 -0.466 5.146 1.00 73.11 C ATOM 1293 CG LEU A 79 -5.207 -0.416 5.588 1.00 64.55 C ATOM 1294 CD1 LEU A 79 -5.000 0.623 6.681 1.00 4.20 C ATOM 1295 CD2 LEU A 79 -4.739 -1.786 6.056 1.00 40.10 C ATOM 0 H LEU A 79 -8.982 -0.903 4.439 1.00 40.13 H new ATOM 0 HA LEU A 79 -7.242 -2.327 6.067 1.00 43.21 H new ATOM 0 HB2 LEU A 79 -6.713 -0.840 4.123 1.00 73.11 H new ATOM 0 HB3 LEU A 79 -7.061 0.555 5.124 1.00 73.11 H new ATOM 0 HG LEU A 79 -4.607 -0.124 4.726 1.00 64.55 H new ATOM 0 HD11 LEU A 79 -3.951 0.638 6.975 1.00 4.20 H new ATOM 0 HD12 LEU A 79 -5.286 1.606 6.307 1.00 4.20 H new ATOM 0 HD13 LEU A 79 -5.615 0.370 7.545 1.00 4.20 H new ATOM 0 HD21 LEU A 79 -3.695 -1.728 6.364 1.00 40.10 H new ATOM 0 HD22 LEU A 79 -5.349 -2.110 6.899 1.00 40.10 H new ATOM 0 HD23 LEU A 79 -4.838 -2.502 5.240 1.00 40.10 H new ATOM 1307 N LYS A 80 -8.420 0.380 7.519 1.00 73.32 N ATOM 1308 CA LYS A 80 -8.623 1.001 8.811 1.00 52.41 C ATOM 1309 C LYS A 80 -9.524 0.160 9.695 1.00 23.51 C ATOM 1310 O LYS A 80 -9.338 0.110 10.906 1.00 32.35 O ATOM 1311 CB LYS A 80 -9.201 2.400 8.645 1.00 14.55 C ATOM 1312 CG LYS A 80 -8.138 3.478 8.620 1.00 24.41 C ATOM 1313 CD LYS A 80 -7.345 3.495 9.917 1.00 64.13 C ATOM 1314 CE LYS A 80 -8.258 3.631 11.124 1.00 74.13 C ATOM 1315 NZ LYS A 80 -7.496 3.897 12.371 1.00 25.01 N ATOM 0 H LYS A 80 -8.814 0.896 6.732 1.00 73.32 H new ATOM 0 HA LYS A 80 -7.651 1.076 9.299 1.00 52.41 H new ATOM 0 HB2 LYS A 80 -9.776 2.443 7.720 1.00 14.55 H new ATOM 0 HB3 LYS A 80 -9.895 2.600 9.461 1.00 14.55 H new ATOM 0 HG2 LYS A 80 -7.464 3.309 7.780 1.00 24.41 H new ATOM 0 HG3 LYS A 80 -8.605 4.450 8.463 1.00 24.41 H new ATOM 0 HD2 LYS A 80 -6.763 2.577 10.001 1.00 64.13 H new ATOM 0 HD3 LYS A 80 -6.636 4.322 9.901 1.00 64.13 H new ATOM 0 HE2 LYS A 80 -8.967 4.441 10.953 1.00 74.13 H new ATOM 0 HE3 LYS A 80 -8.840 2.717 11.243 1.00 74.13 H new ATOM 0 HZ1 LYS A 80 -8.156 3.983 13.170 1.00 25.01 H new ATOM 0 HZ2 LYS A 80 -6.837 3.112 12.549 1.00 25.01 H new ATOM 0 HZ3 LYS A 80 -6.960 4.782 12.268 1.00 25.01 H new ATOM 1329 N LEU A 81 -10.482 -0.516 9.087 1.00 24.34 N ATOM 1330 CA LEU A 81 -11.418 -1.337 9.825 1.00 1.14 C ATOM 1331 C LEU A 81 -10.715 -2.501 10.511 1.00 63.01 C ATOM 1332 O LEU A 81 -10.983 -2.784 11.670 1.00 75.13 O ATOM 1333 CB LEU A 81 -12.518 -1.845 8.891 1.00 42.55 C ATOM 1334 CG LEU A 81 -13.812 -1.030 8.908 1.00 62.20 C ATOM 1335 CD1 LEU A 81 -13.531 0.457 8.846 1.00 72.12 C ATOM 1336 CD2 LEU A 81 -14.713 -1.432 7.758 1.00 22.43 C ATOM 0 H LEU A 81 -10.631 -0.511 8.078 1.00 24.34 H new ATOM 0 HA LEU A 81 -11.870 -0.722 10.603 1.00 1.14 H new ATOM 0 HB2 LEU A 81 -12.130 -1.860 7.873 1.00 42.55 H new ATOM 0 HB3 LEU A 81 -12.752 -2.875 9.158 1.00 42.55 H new ATOM 0 HG LEU A 81 -14.319 -1.243 9.849 1.00 62.20 H new ATOM 0 HD11 LEU A 81 -14.472 1.006 8.860 1.00 72.12 H new ATOM 0 HD12 LEU A 81 -12.928 0.749 9.705 1.00 72.12 H new ATOM 0 HD13 LEU A 81 -12.990 0.687 7.928 1.00 72.12 H new ATOM 0 HD21 LEU A 81 -15.628 -0.840 7.789 1.00 22.43 H new ATOM 0 HD22 LEU A 81 -14.198 -1.256 6.814 1.00 22.43 H new ATOM 0 HD23 LEU A 81 -14.962 -2.490 7.843 1.00 22.43 H new ATOM 1348 N LEU A 82 -9.806 -3.161 9.810 1.00 5.11 N ATOM 1349 CA LEU A 82 -9.095 -4.299 10.386 1.00 54.30 C ATOM 1350 C LEU A 82 -7.989 -3.845 11.342 1.00 64.22 C ATOM 1351 O LEU A 82 -7.697 -4.527 12.324 1.00 1.24 O ATOM 1352 CB LEU A 82 -8.540 -5.206 9.283 1.00 74.25 C ATOM 1353 CG LEU A 82 -7.820 -4.495 8.139 1.00 73.00 C ATOM 1354 CD1 LEU A 82 -6.313 -4.616 8.271 1.00 64.24 C ATOM 1355 CD2 LEU A 82 -8.282 -5.054 6.811 1.00 22.11 C ATOM 0 H LEU A 82 -9.543 -2.934 8.851 1.00 5.11 H new ATOM 0 HA LEU A 82 -9.810 -4.877 10.972 1.00 54.30 H new ATOM 0 HB2 LEU A 82 -7.849 -5.917 9.736 1.00 74.25 H new ATOM 0 HB3 LEU A 82 -9.364 -5.784 8.865 1.00 74.25 H new ATOM 0 HG LEU A 82 -8.071 -3.435 8.187 1.00 73.00 H new ATOM 0 HD11 LEU A 82 -5.832 -4.099 7.441 1.00 64.24 H new ATOM 0 HD12 LEU A 82 -5.993 -4.168 9.212 1.00 64.24 H new ATOM 0 HD13 LEU A 82 -6.030 -5.668 8.256 1.00 64.24 H new ATOM 0 HD21 LEU A 82 -7.764 -4.542 6.000 1.00 22.11 H new ATOM 0 HD22 LEU A 82 -8.059 -6.120 6.768 1.00 22.11 H new ATOM 0 HD23 LEU A 82 -9.357 -4.904 6.707 1.00 22.11 H new ATOM 1367 N GLU A 83 -7.392 -2.688 11.068 1.00 73.04 N ATOM 1368 CA GLU A 83 -6.346 -2.141 11.937 1.00 24.24 C ATOM 1369 C GLU A 83 -6.940 -1.597 13.234 1.00 61.14 C ATOM 1370 O GLU A 83 -6.415 -1.834 14.322 1.00 51.21 O ATOM 1371 CB GLU A 83 -5.580 -1.029 11.220 1.00 12.53 C ATOM 1372 CG GLU A 83 -4.779 -1.511 10.024 1.00 45.10 C ATOM 1373 CD GLU A 83 -3.622 -2.414 10.400 1.00 24.15 C ATOM 1374 OE1 GLU A 83 -2.531 -1.886 10.711 1.00 52.53 O ATOM 1375 OE2 GLU A 83 -3.783 -3.650 10.355 1.00 12.14 O ATOM 0 H GLU A 83 -7.611 -2.111 10.256 1.00 73.04 H new ATOM 0 HA GLU A 83 -5.659 -2.952 12.179 1.00 24.24 H new ATOM 0 HB2 GLU A 83 -6.287 -0.268 10.889 1.00 12.53 H new ATOM 0 HB3 GLU A 83 -4.905 -0.550 11.929 1.00 12.53 H new ATOM 0 HG2 GLU A 83 -5.442 -2.046 9.344 1.00 45.10 H new ATOM 0 HG3 GLU A 83 -4.395 -0.647 9.481 1.00 45.10 H new ATOM 1382 N ASP A 84 -8.040 -0.872 13.104 1.00 45.21 N ATOM 1383 CA ASP A 84 -8.713 -0.258 14.247 1.00 3.22 C ATOM 1384 C ASP A 84 -9.632 -1.262 14.919 1.00 54.15 C ATOM 1385 O ASP A 84 -10.020 -1.091 16.075 1.00 2.22 O ATOM 1386 CB ASP A 84 -9.523 0.955 13.783 1.00 74.50 C ATOM 1387 CG ASP A 84 -10.209 1.690 14.918 1.00 2.21 C ATOM 1388 OD1 ASP A 84 -9.534 2.473 15.620 1.00 61.14 O ATOM 1389 OD2 ASP A 84 -11.431 1.514 15.096 1.00 74.45 O ATOM 0 H ASP A 84 -8.493 -0.691 12.208 1.00 45.21 H new ATOM 0 HA ASP A 84 -7.959 0.065 14.965 1.00 3.22 H new ATOM 0 HB2 ASP A 84 -8.862 1.646 13.260 1.00 74.50 H new ATOM 0 HB3 ASP A 84 -10.275 0.628 13.065 1.00 74.50 H new ATOM 1394 N LYS A 85 -9.953 -2.319 14.177 1.00 43.00 N ATOM 1395 CA LYS A 85 -10.861 -3.357 14.634 1.00 13.42 C ATOM 1396 C LYS A 85 -12.277 -2.813 14.764 1.00 62.22 C ATOM 1397 O LYS A 85 -12.976 -3.045 15.752 1.00 24.12 O ATOM 1398 CB LYS A 85 -10.354 -3.978 15.932 1.00 1.25 C ATOM 1399 CG LYS A 85 -9.058 -4.746 15.734 1.00 34.32 C ATOM 1400 CD LYS A 85 -9.272 -5.926 14.799 1.00 41.40 C ATOM 1401 CE LYS A 85 -8.090 -6.886 14.793 1.00 31.11 C ATOM 1402 NZ LYS A 85 -6.861 -6.276 14.219 1.00 62.14 N ATOM 0 H LYS A 85 -9.587 -2.476 13.238 1.00 43.00 H new ATOM 0 HA LYS A 85 -10.894 -4.153 13.890 1.00 13.42 H new ATOM 0 HB2 LYS A 85 -10.199 -3.193 16.672 1.00 1.25 H new ATOM 0 HB3 LYS A 85 -11.114 -4.649 16.333 1.00 1.25 H new ATOM 0 HG2 LYS A 85 -8.296 -4.084 15.324 1.00 34.32 H new ATOM 0 HG3 LYS A 85 -8.688 -5.100 16.696 1.00 34.32 H new ATOM 0 HD2 LYS A 85 -10.172 -6.464 15.098 1.00 41.40 H new ATOM 0 HD3 LYS A 85 -9.442 -5.558 13.787 1.00 41.40 H new ATOM 0 HE2 LYS A 85 -7.887 -7.213 15.813 1.00 31.11 H new ATOM 0 HE3 LYS A 85 -8.352 -7.775 14.220 1.00 31.11 H new ATOM 0 HZ1 LYS A 85 -6.316 -7.003 13.714 1.00 62.14 H new ATOM 0 HZ2 LYS A 85 -7.126 -5.519 13.557 1.00 62.14 H new ATOM 0 HZ3 LYS A 85 -6.281 -5.878 14.985 1.00 62.14 H new ATOM 1416 N SER A 86 -12.686 -2.090 13.729 1.00 24.22 N ATOM 1417 CA SER A 86 -14.037 -1.585 13.617 1.00 55.42 C ATOM 1418 C SER A 86 -14.974 -2.701 13.152 1.00 64.20 C ATOM 1419 O SER A 86 -14.667 -3.429 12.204 1.00 21.51 O ATOM 1420 CB SER A 86 -14.067 -0.423 12.626 1.00 13.53 C ATOM 1421 OG SER A 86 -12.996 0.477 12.866 1.00 41.02 O ATOM 0 H SER A 86 -12.084 -1.840 12.945 1.00 24.22 H new ATOM 0 HA SER A 86 -14.373 -1.231 14.592 1.00 55.42 H new ATOM 0 HB2 SER A 86 -14.003 -0.807 11.608 1.00 13.53 H new ATOM 0 HB3 SER A 86 -15.017 0.106 12.708 1.00 13.53 H new ATOM 0 HG SER A 86 -12.813 0.518 13.828 1.00 41.02 H new ATOM 1427 N ASN A 87 -16.126 -2.813 13.800 1.00 30.11 N ATOM 1428 CA ASN A 87 -17.063 -3.911 13.545 1.00 31.34 C ATOM 1429 C ASN A 87 -17.717 -3.813 12.170 1.00 23.53 C ATOM 1430 O ASN A 87 -18.470 -4.698 11.776 1.00 55.12 O ATOM 1431 CB ASN A 87 -18.157 -3.944 14.617 1.00 15.23 C ATOM 1432 CG ASN A 87 -19.096 -2.752 14.541 1.00 3.25 C ATOM 1433 OD1 ASN A 87 -20.139 -2.806 13.887 1.00 62.45 O ATOM 1434 ND2 ASN A 87 -18.728 -1.667 15.201 1.00 51.14 N ATOM 0 H ASN A 87 -16.440 -2.154 14.512 1.00 30.11 H new ATOM 0 HA ASN A 87 -16.478 -4.830 13.577 1.00 31.34 H new ATOM 0 HB2 ASN A 87 -18.735 -4.862 14.511 1.00 15.23 H new ATOM 0 HB3 ASN A 87 -17.692 -3.972 15.603 1.00 15.23 H new ATOM 0 HD21 ASN A 87 -19.316 -0.834 15.180 1.00 51.14 H new ATOM 0 HD22 ASN A 87 -17.856 -1.663 15.731 1.00 51.14 H new ATOM 1441 N LEU A 88 -17.418 -2.753 11.436 1.00 23.52 N ATOM 1442 CA LEU A 88 -18.049 -2.529 10.144 1.00 51.00 C ATOM 1443 C LEU A 88 -17.677 -3.628 9.151 1.00 73.43 C ATOM 1444 O LEU A 88 -18.517 -4.080 8.374 1.00 34.15 O ATOM 1445 CB LEU A 88 -17.687 -1.149 9.584 1.00 63.25 C ATOM 1446 CG LEU A 88 -18.264 0.047 10.350 1.00 32.44 C ATOM 1447 CD1 LEU A 88 -19.726 -0.195 10.690 1.00 3.22 C ATOM 1448 CD2 LEU A 88 -17.457 0.338 11.608 1.00 4.13 C ATOM 0 H LEU A 88 -16.746 -2.037 11.711 1.00 23.52 H new ATOM 0 HA LEU A 88 -19.128 -2.561 10.295 1.00 51.00 H new ATOM 0 HB2 LEU A 88 -16.601 -1.057 9.566 1.00 63.25 H new ATOM 0 HB3 LEU A 88 -18.028 -1.095 8.550 1.00 63.25 H new ATOM 0 HG LEU A 88 -18.199 0.924 9.705 1.00 32.44 H new ATOM 0 HD11 LEU A 88 -20.120 0.664 11.234 1.00 3.22 H new ATOM 0 HD12 LEU A 88 -20.295 -0.335 9.771 1.00 3.22 H new ATOM 0 HD13 LEU A 88 -19.813 -1.088 11.310 1.00 3.22 H new ATOM 0 HD21 LEU A 88 -17.891 1.191 12.129 1.00 4.13 H new ATOM 0 HD22 LEU A 88 -17.475 -0.534 12.262 1.00 4.13 H new ATOM 0 HD23 LEU A 88 -16.427 0.565 11.335 1.00 4.13 H new ATOM 1460 N LEU A 89 -16.423 -4.064 9.176 1.00 1.51 N ATOM 1461 CA LEU A 89 -16.003 -5.169 8.319 1.00 0.21 C ATOM 1462 C LEU A 89 -15.824 -6.454 9.127 1.00 31.24 C ATOM 1463 O LEU A 89 -15.733 -7.552 8.580 1.00 12.05 O ATOM 1464 CB LEU A 89 -14.702 -4.817 7.593 1.00 34.14 C ATOM 1465 CG LEU A 89 -14.084 -5.957 6.800 1.00 13.03 C ATOM 1466 CD1 LEU A 89 -14.853 -6.205 5.518 1.00 40.43 C ATOM 1467 CD2 LEU A 89 -12.622 -5.670 6.532 1.00 63.43 C ATOM 0 H LEU A 89 -15.689 -3.678 9.770 1.00 1.51 H new ATOM 0 HA LEU A 89 -16.786 -5.337 7.580 1.00 0.21 H new ATOM 0 HB2 LEU A 89 -14.894 -3.985 6.916 1.00 34.14 H new ATOM 0 HB3 LEU A 89 -13.976 -4.469 8.327 1.00 34.14 H new ATOM 0 HG LEU A 89 -14.145 -6.871 7.391 1.00 13.03 H new ATOM 0 HD11 LEU A 89 -14.390 -7.025 4.969 1.00 40.43 H new ATOM 0 HD12 LEU A 89 -15.884 -6.464 5.757 1.00 40.43 H new ATOM 0 HD13 LEU A 89 -14.838 -5.304 4.905 1.00 40.43 H new ATOM 0 HD21 LEU A 89 -12.188 -6.492 5.963 1.00 63.43 H new ATOM 0 HD22 LEU A 89 -12.531 -4.746 5.961 1.00 63.43 H new ATOM 0 HD23 LEU A 89 -12.092 -5.564 7.479 1.00 63.43 H new ATOM 1479 N LEU A 90 -15.806 -6.311 10.430 1.00 1.52 N ATOM 1480 CA LEU A 90 -15.446 -7.412 11.314 1.00 42.20 C ATOM 1481 C LEU A 90 -16.608 -7.863 12.196 1.00 31.40 C ATOM 1482 O LEU A 90 -16.394 -8.480 13.242 1.00 1.31 O ATOM 1483 CB LEU A 90 -14.279 -6.967 12.181 1.00 4.53 C ATOM 1484 CG LEU A 90 -13.146 -6.296 11.409 1.00 32.34 C ATOM 1485 CD1 LEU A 90 -12.225 -5.575 12.363 1.00 65.12 C ATOM 1486 CD2 LEU A 90 -12.372 -7.308 10.585 1.00 15.13 C ATOM 0 H LEU A 90 -16.036 -5.442 10.911 1.00 1.52 H new ATOM 0 HA LEU A 90 -15.172 -8.269 10.698 1.00 42.20 H new ATOM 0 HB2 LEU A 90 -14.647 -6.275 12.939 1.00 4.53 H new ATOM 0 HB3 LEU A 90 -13.881 -7.834 12.708 1.00 4.53 H new ATOM 0 HG LEU A 90 -13.582 -5.570 10.723 1.00 32.34 H new ATOM 0 HD11 LEU A 90 -11.420 -5.100 11.802 1.00 65.12 H new ATOM 0 HD12 LEU A 90 -12.787 -4.815 12.907 1.00 65.12 H new ATOM 0 HD13 LEU A 90 -11.802 -6.289 13.070 1.00 65.12 H new ATOM 0 HD21 LEU A 90 -11.571 -6.802 10.046 1.00 15.13 H new ATOM 0 HD22 LEU A 90 -11.945 -8.063 11.244 1.00 15.13 H new ATOM 0 HD23 LEU A 90 -13.043 -7.787 9.872 1.00 15.13 H new ATOM 1498 N TYR A 91 -17.833 -7.562 11.782 1.00 13.21 N ATOM 1499 CA TYR A 91 -19.006 -7.996 12.533 1.00 73.12 C ATOM 1500 C TYR A 91 -19.216 -9.499 12.386 1.00 63.14 C ATOM 1501 O TYR A 91 -18.739 -10.116 11.424 1.00 45.13 O ATOM 1502 CB TYR A 91 -20.265 -7.246 12.080 1.00 51.44 C ATOM 1503 CG TYR A 91 -20.716 -7.556 10.667 1.00 42.54 C ATOM 1504 CD1 TYR A 91 -21.467 -8.695 10.388 1.00 74.14 C ATOM 1505 CD2 TYR A 91 -20.398 -6.707 9.615 1.00 61.20 C ATOM 1506 CE1 TYR A 91 -21.881 -8.978 9.105 1.00 63.51 C ATOM 1507 CE2 TYR A 91 -20.812 -6.984 8.328 1.00 11.44 C ATOM 1508 CZ TYR A 91 -21.553 -8.121 8.079 1.00 42.51 C ATOM 1509 OH TYR A 91 -21.966 -8.403 6.797 1.00 45.24 O ATOM 0 H TYR A 91 -18.040 -7.025 10.940 1.00 13.21 H new ATOM 0 HA TYR A 91 -18.827 -7.765 13.583 1.00 73.12 H new ATOM 0 HB2 TYR A 91 -21.078 -7.483 12.766 1.00 51.44 H new ATOM 0 HB3 TYR A 91 -20.081 -6.175 12.161 1.00 51.44 H new ATOM 0 HD1 TYR A 91 -21.729 -9.368 11.191 1.00 74.14 H new ATOM 0 HD2 TYR A 91 -19.818 -5.816 9.807 1.00 61.20 H new ATOM 0 HE1 TYR A 91 -22.460 -9.868 8.905 1.00 63.51 H new ATOM 0 HE2 TYR A 91 -20.557 -6.314 7.520 1.00 11.44 H new ATOM 0 HH TYR A 91 -22.097 -7.566 6.304 1.00 45.24 H new ATOM 1519 N SER A 92 -19.949 -10.074 13.326 1.00 53.40 N ATOM 1520 CA SER A 92 -20.249 -11.494 13.298 1.00 75.22 C ATOM 1521 C SER A 92 -21.469 -11.761 12.421 1.00 4.34 C ATOM 1522 O SER A 92 -22.460 -11.033 12.472 1.00 63.35 O ATOM 1523 CB SER A 92 -20.470 -12.017 14.722 1.00 11.44 C ATOM 1524 OG SER A 92 -21.416 -11.224 15.425 1.00 34.35 O ATOM 0 H SER A 92 -20.348 -9.575 14.121 1.00 53.40 H new ATOM 0 HA SER A 92 -19.400 -12.026 12.868 1.00 75.22 H new ATOM 0 HB2 SER A 92 -20.817 -13.050 14.682 1.00 11.44 H new ATOM 0 HB3 SER A 92 -19.523 -12.019 15.261 1.00 11.44 H new ATOM 0 HG SER A 92 -21.537 -11.583 16.329 1.00 34.35 H new ATOM 1530 N CYS A 93 -21.384 -12.797 11.607 1.00 14.12 N ATOM 1531 CA CYS A 93 -22.456 -13.141 10.687 1.00 3.04 C ATOM 1532 C CYS A 93 -22.692 -14.639 10.704 1.00 30.32 C ATOM 1533 O CYS A 93 -21.923 -15.383 11.309 1.00 14.41 O ATOM 1534 CB CYS A 93 -22.088 -12.714 9.278 1.00 62.12 C ATOM 1535 SG CYS A 93 -20.885 -13.827 8.485 1.00 75.03 S ATOM 0 H CYS A 93 -20.578 -13.420 11.563 1.00 14.12 H new ATOM 0 HA CYS A 93 -23.363 -12.624 11.000 1.00 3.04 H new ATOM 0 HB2 CYS A 93 -22.992 -12.673 8.670 1.00 62.12 H new ATOM 0 HB3 CYS A 93 -21.677 -11.705 9.306 1.00 62.12 H new ATOM 1540 N ASN A 94 -23.719 -15.084 10.001 1.00 23.31 N ATOM 1541 CA ASN A 94 -24.062 -16.493 9.984 1.00 44.53 C ATOM 1542 C ASN A 94 -23.842 -17.100 8.598 1.00 64.54 C ATOM 1543 O ASN A 94 -24.794 -17.463 7.912 1.00 53.20 O ATOM 1544 CB ASN A 94 -25.518 -16.680 10.426 1.00 21.44 C ATOM 1545 CG ASN A 94 -25.887 -18.134 10.668 1.00 75.41 C ATOM 1546 OD1 ASN A 94 -26.339 -18.834 9.764 1.00 74.34 O ATOM 1547 ND2 ASN A 94 -25.708 -18.593 11.896 1.00 14.32 N ATOM 0 H ASN A 94 -24.327 -14.491 9.436 1.00 23.31 H new ATOM 0 HA ASN A 94 -23.407 -17.014 10.682 1.00 44.53 H new ATOM 0 HB2 ASN A 94 -25.690 -16.111 11.340 1.00 21.44 H new ATOM 0 HB3 ASN A 94 -26.178 -16.266 9.664 1.00 21.44 H new ATOM 0 HD21 ASN A 94 -25.948 -19.559 12.119 1.00 14.32 H new ATOM 0 HD22 ASN A 94 -25.330 -17.981 12.619 1.00 14.32 H new ATOM 1554 N CYS A 95 -22.586 -17.171 8.156 1.00 22.34 N ATOM 1555 CA CYS A 95 -22.272 -17.920 6.943 1.00 45.11 C ATOM 1556 C CYS A 95 -21.967 -19.379 7.275 1.00 21.30 C ATOM 1557 O CYS A 95 -21.693 -20.181 6.383 1.00 14.35 O ATOM 1558 CB CYS A 95 -21.089 -17.307 6.194 1.00 5.24 C ATOM 1559 SG CYS A 95 -21.498 -15.811 5.248 1.00 53.50 S ATOM 0 H CYS A 95 -21.786 -16.729 8.609 1.00 22.34 H new ATOM 0 HA CYS A 95 -23.149 -17.872 6.298 1.00 45.11 H new ATOM 0 HB2 CYS A 95 -20.305 -17.066 6.912 1.00 5.24 H new ATOM 0 HB3 CYS A 95 -20.679 -18.053 5.513 1.00 5.24 H new ATOM 1564 N LYS A 96 -22.010 -19.710 8.564 1.00 31.33 N ATOM 1565 CA LYS A 96 -21.748 -21.068 9.025 1.00 20.40 C ATOM 1566 C LYS A 96 -22.374 -21.291 10.402 1.00 43.34 C ATOM 1567 O LYS A 96 -23.024 -22.309 10.643 1.00 32.41 O ATOM 1568 CB LYS A 96 -20.239 -21.349 9.060 1.00 32.05 C ATOM 1569 CG LYS A 96 -19.442 -20.393 9.938 1.00 51.45 C ATOM 1570 CD LYS A 96 -17.948 -20.676 9.879 1.00 33.21 C ATOM 1571 CE LYS A 96 -17.608 -22.077 10.353 1.00 74.12 C ATOM 1572 NZ LYS A 96 -16.142 -22.314 10.346 1.00 54.35 N ATOM 0 H LYS A 96 -22.226 -19.050 9.311 1.00 31.33 H new ATOM 0 HA LYS A 96 -22.204 -21.766 8.322 1.00 20.40 H new ATOM 0 HB2 LYS A 96 -20.079 -22.367 9.414 1.00 32.05 H new ATOM 0 HB3 LYS A 96 -19.849 -21.300 8.043 1.00 32.05 H new ATOM 0 HG2 LYS A 96 -19.629 -19.367 9.620 1.00 51.45 H new ATOM 0 HG3 LYS A 96 -19.786 -20.475 10.969 1.00 51.45 H new ATOM 0 HD2 LYS A 96 -17.596 -20.546 8.856 1.00 33.21 H new ATOM 0 HD3 LYS A 96 -17.418 -19.948 10.494 1.00 33.21 H new ATOM 0 HE2 LYS A 96 -17.997 -22.226 11.360 1.00 74.12 H new ATOM 0 HE3 LYS A 96 -18.099 -22.808 9.711 1.00 74.12 H new ATOM 0 HZ1 LYS A 96 -15.945 -23.281 10.675 1.00 54.35 H new ATOM 0 HZ2 LYS A 96 -15.776 -22.196 9.380 1.00 54.35 H new ATOM 0 HZ3 LYS A 96 -15.677 -21.631 10.978 1.00 54.35 H new ATOM 1586 N PHE A 97 -22.178 -20.328 11.296 1.00 11.43 N ATOM 1587 CA PHE A 97 -22.775 -20.366 12.624 1.00 72.41 C ATOM 1588 C PHE A 97 -22.692 -18.987 13.250 1.00 54.21 C ATOM 1589 O PHE A 97 -21.922 -18.146 12.783 1.00 23.13 O ATOM 1590 CB PHE A 97 -22.068 -21.385 13.534 1.00 25.33 C ATOM 1591 CG PHE A 97 -20.658 -21.010 13.918 1.00 25.31 C ATOM 1592 CD1 PHE A 97 -20.416 -20.108 14.946 1.00 52.20 C ATOM 1593 CD2 PHE A 97 -19.576 -21.566 13.258 1.00 12.34 C ATOM 1594 CE1 PHE A 97 -19.127 -19.770 15.302 1.00 52.42 C ATOM 1595 CE2 PHE A 97 -18.283 -21.230 13.611 1.00 42.04 C ATOM 1596 CZ PHE A 97 -18.058 -20.331 14.633 1.00 44.10 C ATOM 0 H PHE A 97 -21.604 -19.503 11.121 1.00 11.43 H new ATOM 0 HA PHE A 97 -23.816 -20.673 12.520 1.00 72.41 H new ATOM 0 HB2 PHE A 97 -22.657 -21.511 14.443 1.00 25.33 H new ATOM 0 HB3 PHE A 97 -22.049 -22.351 13.030 1.00 25.33 H new ATOM 0 HD1 PHE A 97 -21.248 -19.665 15.474 1.00 52.20 H new ATOM 0 HD2 PHE A 97 -19.744 -22.271 12.457 1.00 12.34 H new ATOM 0 HE1 PHE A 97 -18.954 -19.067 16.103 1.00 52.42 H new ATOM 0 HE2 PHE A 97 -17.448 -21.671 13.087 1.00 42.04 H new ATOM 0 HZ PHE A 97 -17.048 -20.067 14.909 1.00 44.10 H new ATOM 1606 N SER A 98 -23.478 -18.770 14.298 1.00 20.41 N ATOM 1607 CA SER A 98 -23.404 -17.548 15.085 1.00 41.11 C ATOM 1608 C SER A 98 -24.404 -17.593 16.229 1.00 52.32 C ATOM 1609 O SER A 98 -25.208 -18.521 16.333 1.00 75.24 O ATOM 1610 CB SER A 98 -23.665 -16.318 14.218 1.00 53.25 C ATOM 1611 OG SER A 98 -24.900 -16.432 13.521 1.00 33.22 O ATOM 0 H SER A 98 -24.181 -19.433 14.624 1.00 20.41 H new ATOM 0 HA SER A 98 -22.396 -17.475 15.493 1.00 41.11 H new ATOM 0 HB2 SER A 98 -23.679 -15.425 14.843 1.00 53.25 H new ATOM 0 HB3 SER A 98 -22.851 -16.194 13.503 1.00 53.25 H new ATOM 0 HG SER A 98 -25.510 -15.726 13.819 1.00 33.22 H new ATOM 1617 N LYS A 99 -24.347 -16.591 17.087 1.00 71.50 N ATOM 1618 CA LYS A 99 -25.258 -16.503 18.212 1.00 62.14 C ATOM 1619 C LYS A 99 -26.437 -15.627 17.829 1.00 74.53 C ATOM 1620 O LYS A 99 -27.562 -15.825 18.291 1.00 63.52 O ATOM 1621 CB LYS A 99 -24.528 -15.934 19.429 1.00 4.44 C ATOM 1622 CG LYS A 99 -23.116 -16.460 19.564 1.00 22.21 C ATOM 1623 CD LYS A 99 -23.101 -17.963 19.774 1.00 35.41 C ATOM 1624 CE LYS A 99 -21.738 -18.526 19.454 1.00 61.53 C ATOM 1625 NZ LYS A 99 -21.652 -19.986 19.720 1.00 22.32 N ATOM 0 H LYS A 99 -23.677 -15.825 17.025 1.00 71.50 H new ATOM 0 HA LYS A 99 -25.625 -17.496 18.471 1.00 62.14 H new ATOM 0 HB2 LYS A 99 -24.500 -14.847 19.355 1.00 4.44 H new ATOM 0 HB3 LYS A 99 -25.090 -16.178 20.331 1.00 4.44 H new ATOM 0 HG2 LYS A 99 -22.546 -16.211 18.669 1.00 22.21 H new ATOM 0 HG3 LYS A 99 -22.622 -15.969 20.403 1.00 22.21 H new ATOM 0 HD2 LYS A 99 -23.364 -18.195 20.806 1.00 35.41 H new ATOM 0 HD3 LYS A 99 -23.853 -18.433 19.140 1.00 35.41 H new ATOM 0 HE2 LYS A 99 -21.506 -18.336 18.406 1.00 61.53 H new ATOM 0 HE3 LYS A 99 -20.985 -18.006 20.046 1.00 61.53 H new ATOM 0 HZ1 LYS A 99 -20.698 -20.326 19.485 1.00 22.32 H new ATOM 0 HZ2 LYS A 99 -21.847 -20.168 20.725 1.00 22.32 H new ATOM 0 HZ3 LYS A 99 -22.352 -20.487 19.136 1.00 22.32 H new ATOM 1639 N LYS A 100 -26.172 -14.663 16.959 1.00 72.42 N ATOM 1640 CA LYS A 100 -27.215 -13.805 16.442 1.00 44.34 C ATOM 1641 C LYS A 100 -27.679 -14.312 15.085 1.00 4.23 C ATOM 1642 O LYS A 100 -26.872 -14.513 14.174 1.00 53.44 O ATOM 1643 CB LYS A 100 -26.721 -12.359 16.326 1.00 4.33 C ATOM 1644 CG LYS A 100 -27.787 -11.371 15.858 1.00 10.14 C ATOM 1645 CD LYS A 100 -28.642 -10.836 17.005 1.00 54.22 C ATOM 1646 CE LYS A 100 -29.417 -11.932 17.726 1.00 40.12 C ATOM 1647 NZ LYS A 100 -30.330 -11.377 18.756 1.00 11.32 N ATOM 0 H LYS A 100 -25.240 -14.459 16.599 1.00 72.42 H new ATOM 0 HA LYS A 100 -28.055 -13.824 17.136 1.00 44.34 H new ATOM 0 HB2 LYS A 100 -26.343 -12.037 17.296 1.00 4.33 H new ATOM 0 HB3 LYS A 100 -25.882 -12.328 15.631 1.00 4.33 H new ATOM 0 HG2 LYS A 100 -27.304 -10.536 15.351 1.00 10.14 H new ATOM 0 HG3 LYS A 100 -28.432 -11.858 15.127 1.00 10.14 H new ATOM 0 HD2 LYS A 100 -28.001 -10.321 17.720 1.00 54.22 H new ATOM 0 HD3 LYS A 100 -29.343 -10.098 16.616 1.00 54.22 H new ATOM 0 HE2 LYS A 100 -29.994 -12.506 17.001 1.00 40.12 H new ATOM 0 HE3 LYS A 100 -28.717 -12.623 18.196 1.00 40.12 H new ATOM 0 HZ1 LYS A 100 -30.839 -12.154 19.224 1.00 11.32 H new ATOM 0 HZ2 LYS A 100 -29.777 -10.850 19.462 1.00 11.32 H new ATOM 0 HZ3 LYS A 100 -31.014 -10.737 18.305 1.00 11.32 H new ATOM 1661 N LYS A 101 -28.976 -14.537 14.967 1.00 72.30 N ATOM 1662 CA LYS A 101 -29.565 -15.004 13.726 1.00 72.54 C ATOM 1663 C LYS A 101 -30.517 -13.946 13.193 1.00 74.13 C ATOM 1664 O LYS A 101 -31.647 -13.845 13.721 1.00 36.38 O ATOM 1665 CB LYS A 101 -30.314 -16.328 13.928 1.00 72.24 C ATOM 1666 CG LYS A 101 -29.430 -17.513 14.310 1.00 25.01 C ATOM 1667 CD LYS A 101 -29.006 -17.475 15.772 1.00 70.34 C ATOM 1668 CE LYS A 101 -30.207 -17.499 16.707 1.00 42.54 C ATOM 1669 NZ LYS A 101 -29.801 -17.511 18.138 1.00 64.15 N ATOM 1670 OXT LYS A 101 -30.125 -13.202 12.274 1.00 36.38 O ATOM 0 H LYS A 101 -29.646 -14.402 15.724 1.00 72.30 H new ATOM 0 HA LYS A 101 -28.765 -15.179 13.007 1.00 72.54 H new ATOM 0 HB2 LYS A 101 -31.066 -16.189 14.705 1.00 72.24 H new ATOM 0 HB3 LYS A 101 -30.847 -16.572 13.009 1.00 72.24 H new ATOM 0 HG2 LYS A 101 -29.967 -18.441 14.115 1.00 25.01 H new ATOM 0 HG3 LYS A 101 -28.542 -17.519 13.677 1.00 25.01 H new ATOM 0 HD2 LYS A 101 -28.361 -18.327 15.986 1.00 70.34 H new ATOM 0 HD3 LYS A 101 -28.418 -16.576 15.957 1.00 70.34 H new ATOM 0 HE2 LYS A 101 -30.833 -16.627 16.515 1.00 42.54 H new ATOM 0 HE3 LYS A 101 -30.813 -18.380 16.495 1.00 42.54 H new ATOM 0 HZ1 LYS A 101 -30.572 -17.127 18.721 1.00 64.15 H new ATOM 0 HZ2 LYS A 101 -29.597 -18.487 18.433 1.00 64.15 H new ATOM 0 HZ3 LYS A 101 -28.950 -16.927 18.262 1.00 64.15 H new TER 1684 LYS A 101 HETATM 1685 ZN ZN A 201 -20.852 -13.761 6.159 1.00 53.41 ZN