USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= -0.429 K(o=1.4,f=-11!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 155:sc= 1.83 (180deg=-0.201) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0967 (180deg=-0.481) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0444) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.542 K(o=-0.54,f=-2.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 1.33 (180deg=1.08) USER MOD Single : A 31 SER OG : rot 117:sc= 0.963 USER MOD Single : A 32 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 61:sc= 1.18 USER MOD Single : A 42 SER OG : rot 43:sc= 1.26 USER MOD Single : A 43 SER OG : rot 117:sc= 0.606 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 1.9 (180deg=1.9) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= 0.144 (180deg=-0.267) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -0.0054 (180deg=-0.106) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 73 SER OG : rot 70:sc= -0.368 USER MOD Single : A 75 THR OG1 : rot 140:sc= -1.17 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 49:sc= 0.161 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.583 15.578 -12.662 1.00 0.00 N ATOM 2 CA MET A 1 2.475 16.372 -13.223 1.00 0.00 C ATOM 3 C MET A 1 1.591 16.926 -12.108 1.00 0.00 C ATOM 4 O MET A 1 1.186 18.089 -12.147 1.00 0.00 O ATOM 5 CB MET A 1 1.645 15.522 -14.198 1.00 0.00 C ATOM 6 CG MET A 1 0.474 16.257 -14.834 1.00 0.00 C ATOM 7 SD MET A 1 -0.344 15.284 -16.122 1.00 0.00 S ATOM 8 CE MET A 1 -0.845 13.831 -15.197 1.00 0.00 C ATOM 0 H1 MET A 1 4.229 15.295 -13.426 1.00 0.00 H new ATOM 0 H2 MET A 1 4.101 16.149 -11.964 1.00 0.00 H new ATOM 0 H3 MET A 1 3.202 14.728 -12.199 1.00 0.00 H new ATOM 0 HA MET A 1 2.899 17.213 -13.772 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.300 15.154 -14.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.265 14.649 -13.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.252 16.513 -14.062 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.828 17.195 -15.262 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.580 13.269 -15.773 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.025 13.202 -15.008 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.285 14.138 -14.248 1.00 0.00 H new ATOM 18 N ALA A 2 1.303 16.100 -11.114 1.00 0.00 N ATOM 19 CA ALA A 2 0.489 16.519 -9.991 1.00 0.00 C ATOM 20 C ALA A 2 1.368 17.012 -8.854 1.00 0.00 C ATOM 21 O ALA A 2 2.500 16.547 -8.684 1.00 0.00 O ATOM 22 CB ALA A 2 -0.392 15.368 -9.521 1.00 0.00 C ATOM 0 H ALA A 2 1.624 15.133 -11.065 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.152 17.340 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.999 15.695 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.044 15.053 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.236 14.531 -9.214 1.00 0.00 H new ATOM 28 N ALA A 3 0.856 17.955 -8.085 1.00 0.00 N ATOM 29 CA ALA A 3 1.589 18.503 -6.959 1.00 0.00 C ATOM 30 C ALA A 3 0.835 18.250 -5.664 1.00 0.00 C ATOM 31 O ALA A 3 -0.090 18.990 -5.320 1.00 0.00 O ATOM 32 CB ALA A 3 1.832 19.992 -7.151 1.00 0.00 C ATOM 0 H ALA A 3 -0.070 18.359 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 3 2.556 18.003 -6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.383 20.384 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.411 20.152 -8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.876 20.509 -7.234 1.00 0.00 H new ATOM 38 N PRO A 4 1.193 17.184 -4.948 1.00 0.00 N ATOM 39 CA PRO A 4 0.548 16.823 -3.701 1.00 0.00 C ATOM 40 C PRO A 4 1.223 17.469 -2.489 1.00 0.00 C ATOM 41 O PRO A 4 2.342 17.977 -2.584 1.00 0.00 O ATOM 42 CB PRO A 4 0.735 15.312 -3.669 1.00 0.00 C ATOM 43 CG PRO A 4 2.054 15.082 -4.340 1.00 0.00 C ATOM 44 CD PRO A 4 2.261 16.230 -5.305 1.00 0.00 C ATOM 0 HA PRO A 4 -0.490 17.153 -3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.739 14.934 -2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.072 14.801 -4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.859 15.044 -3.606 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.058 14.128 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 4 3.250 16.675 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.176 15.903 -6.341 1.00 0.00 H new ATOM 52 N SER A 5 0.541 17.447 -1.363 1.00 0.00 N ATOM 53 CA SER A 5 1.078 17.993 -0.136 1.00 0.00 C ATOM 54 C SER A 5 1.833 16.903 0.627 1.00 0.00 C ATOM 55 O SER A 5 1.269 15.858 0.954 1.00 0.00 O ATOM 56 CB SER A 5 -0.052 18.567 0.718 1.00 0.00 C ATOM 57 OG SER A 5 -0.818 19.514 -0.023 1.00 0.00 O ATOM 0 H SER A 5 -0.395 17.053 -1.273 1.00 0.00 H new ATOM 0 HA SER A 5 1.774 18.798 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.699 17.760 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.364 19.044 1.606 1.00 0.00 H new ATOM 0 HG SER A 5 -1.537 19.867 0.542 1.00 0.00 H new ATOM 63 N MET A 6 3.099 17.146 0.901 1.00 0.00 N ATOM 64 CA MET A 6 3.935 16.166 1.578 1.00 0.00 C ATOM 65 C MET A 6 3.718 16.216 3.081 1.00 0.00 C ATOM 66 O MET A 6 4.241 17.093 3.762 1.00 0.00 O ATOM 67 CB MET A 6 5.411 16.396 1.250 1.00 0.00 C ATOM 68 CG MET A 6 5.720 16.380 -0.238 1.00 0.00 C ATOM 69 SD MET A 6 7.468 16.635 -0.593 1.00 0.00 S ATOM 70 CE MET A 6 7.425 16.758 -2.381 1.00 0.00 C ATOM 0 H MET A 6 3.576 18.016 0.666 1.00 0.00 H new ATOM 0 HA MET A 6 3.649 15.177 1.221 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.720 17.355 1.665 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.007 15.628 1.743 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.404 15.426 -0.659 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.137 17.156 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.435 16.918 -2.759 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.022 15.836 -2.800 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.792 17.596 -2.673 1.00 0.00 H new ATOM 80 N LYS A 7 2.933 15.283 3.587 1.00 0.00 N ATOM 81 CA LYS A 7 2.646 15.222 5.010 1.00 0.00 C ATOM 82 C LYS A 7 3.349 14.031 5.658 1.00 0.00 C ATOM 83 O LYS A 7 4.302 14.200 6.411 1.00 0.00 O ATOM 84 CB LYS A 7 1.134 15.140 5.251 1.00 0.00 C ATOM 85 CG LYS A 7 0.356 16.365 4.783 1.00 0.00 C ATOM 86 CD LYS A 7 0.761 17.615 5.551 1.00 0.00 C ATOM 87 CE LYS A 7 -0.053 18.823 5.116 1.00 0.00 C ATOM 88 NZ LYS A 7 0.356 20.055 5.834 1.00 0.00 N ATOM 0 H LYS A 7 2.481 14.555 3.033 1.00 0.00 H new ATOM 0 HA LYS A 7 3.025 16.135 5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.744 14.260 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.955 14.996 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.528 16.520 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.712 16.189 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.624 17.448 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.821 17.813 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.065 18.973 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.111 18.632 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.223 20.855 5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.220 19.922 6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.359 20.252 5.641 1.00 0.00 H new ATOM 102 N GLU A 8 2.876 12.834 5.360 1.00 0.00 N ATOM 103 CA GLU A 8 3.462 11.621 5.911 1.00 0.00 C ATOM 104 C GLU A 8 4.652 11.177 5.082 1.00 0.00 C ATOM 105 O GLU A 8 4.488 10.633 3.986 1.00 0.00 O ATOM 106 CB GLU A 8 2.426 10.492 5.982 1.00 0.00 C ATOM 107 CG GLU A 8 1.341 10.690 7.034 1.00 0.00 C ATOM 108 CD GLU A 8 0.468 11.888 6.764 1.00 0.00 C ATOM 109 OE1 GLU A 8 -0.005 12.041 5.621 1.00 0.00 O ATOM 110 OE2 GLU A 8 0.240 12.682 7.696 1.00 0.00 O ATOM 0 H GLU A 8 2.084 12.674 4.737 1.00 0.00 H new ATOM 0 HA GLU A 8 3.800 11.846 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.952 10.390 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.943 9.554 6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.718 9.796 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.808 10.801 8.013 1.00 0.00 H new ATOM 117 N ARG A 9 5.851 11.410 5.601 1.00 0.00 N ATOM 118 CA ARG A 9 7.066 11.042 4.885 1.00 0.00 C ATOM 119 C ARG A 9 7.181 9.528 4.722 1.00 0.00 C ATOM 120 O ARG A 9 7.635 9.055 3.697 1.00 0.00 O ATOM 121 CB ARG A 9 8.341 11.605 5.563 1.00 0.00 C ATOM 122 CG ARG A 9 8.789 10.875 6.833 1.00 0.00 C ATOM 123 CD ARG A 9 7.902 11.188 8.029 1.00 0.00 C ATOM 124 NE ARG A 9 8.022 12.581 8.451 1.00 0.00 N ATOM 125 CZ ARG A 9 8.028 12.983 9.723 1.00 0.00 C ATOM 126 NH1 ARG A 9 7.867 12.099 10.705 1.00 0.00 N ATOM 127 NH2 ARG A 9 8.180 14.270 10.012 1.00 0.00 N ATOM 0 H ARG A 9 6.008 11.849 6.508 1.00 0.00 H new ATOM 0 HA ARG A 9 6.989 11.494 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.158 11.577 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.168 12.653 5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.783 9.800 6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.817 11.153 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.864 10.974 7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.169 10.534 8.859 1.00 0.00 H new ATOM 0 HE ARG A 9 8.107 13.293 7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.739 11.111 10.486 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.872 12.409 11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.292 14.951 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.185 14.577 10.985 1.00 0.00 H new ATOM 141 N GLN A 10 6.734 8.777 5.725 1.00 0.00 N ATOM 142 CA GLN A 10 6.843 7.322 5.696 1.00 0.00 C ATOM 143 C GLN A 10 6.085 6.743 4.504 1.00 0.00 C ATOM 144 O GLN A 10 6.625 5.946 3.739 1.00 0.00 O ATOM 145 CB GLN A 10 6.336 6.727 7.025 1.00 0.00 C ATOM 146 CG GLN A 10 6.496 5.212 7.152 1.00 0.00 C ATOM 147 CD GLN A 10 5.335 4.433 6.551 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.199 4.894 6.546 1.00 0.00 O ATOM 149 NE2 GLN A 10 5.616 3.253 6.047 1.00 0.00 N ATOM 0 H GLN A 10 6.294 9.151 6.566 1.00 0.00 H new ATOM 0 HA GLN A 10 7.892 7.052 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.869 7.205 7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.281 6.978 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.421 4.909 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.593 4.951 8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.574 2.904 6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.876 2.686 5.633 1.00 0.00 H new ATOM 158 N VAL A 11 4.850 7.170 4.342 1.00 0.00 N ATOM 159 CA VAL A 11 4.016 6.690 3.255 1.00 0.00 C ATOM 160 C VAL A 11 4.462 7.279 1.914 1.00 0.00 C ATOM 161 O VAL A 11 4.536 6.571 0.913 1.00 0.00 O ATOM 162 CB VAL A 11 2.522 7.017 3.510 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.669 6.594 2.335 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.037 6.333 4.776 1.00 0.00 C ATOM 0 H VAL A 11 4.398 7.852 4.951 1.00 0.00 H new ATOM 0 HA VAL A 11 4.130 5.607 3.211 1.00 0.00 H new ATOM 0 HB VAL A 11 2.430 8.096 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.625 6.834 2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.995 7.123 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.771 5.520 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.987 6.573 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.151 5.254 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.625 6.680 5.625 1.00 0.00 H new ATOM 174 N CYS A 12 4.785 8.562 1.908 1.00 0.00 N ATOM 175 CA CYS A 12 5.195 9.235 0.681 1.00 0.00 C ATOM 176 C CYS A 12 6.517 8.658 0.148 1.00 0.00 C ATOM 177 O CYS A 12 6.640 8.351 -1.044 1.00 0.00 O ATOM 178 CB CYS A 12 5.320 10.740 0.916 1.00 0.00 C ATOM 179 SG CYS A 12 5.323 11.741 -0.606 1.00 0.00 S ATOM 0 H CYS A 12 4.772 9.159 2.735 1.00 0.00 H new ATOM 0 HA CYS A 12 4.427 9.063 -0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.495 11.066 1.549 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.241 10.934 1.466 1.00 0.00 H new ATOM 184 N TRP A 13 7.498 8.494 1.034 1.00 0.00 N ATOM 185 CA TRP A 13 8.777 7.920 0.643 1.00 0.00 C ATOM 186 C TRP A 13 8.612 6.452 0.292 1.00 0.00 C ATOM 187 O TRP A 13 9.257 5.952 -0.629 1.00 0.00 O ATOM 188 CB TRP A 13 9.831 8.101 1.741 1.00 0.00 C ATOM 189 CG TRP A 13 10.396 9.493 1.810 1.00 0.00 C ATOM 190 CD1 TRP A 13 9.766 10.618 2.255 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.713 9.898 1.425 1.00 0.00 C ATOM 192 NE1 TRP A 13 10.609 11.698 2.167 1.00 0.00 N ATOM 193 CE2 TRP A 13 11.811 11.282 1.660 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.821 9.223 0.903 1.00 0.00 C ATOM 195 CZ2 TRP A 13 12.970 12.003 1.391 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.969 9.940 0.636 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.037 11.315 0.880 1.00 0.00 C ATOM 0 H TRP A 13 7.430 8.749 2.019 1.00 0.00 H new ATOM 0 HA TRP A 13 9.128 8.453 -0.241 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.387 7.850 2.704 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.645 7.396 1.572 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.751 10.654 2.623 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.378 12.654 2.436 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.779 8.161 0.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 13.026 13.065 1.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.831 9.430 0.231 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.952 11.846 0.660 1.00 0.00 H new ATOM 208 N GLY A 14 7.729 5.770 1.020 1.00 0.00 N ATOM 209 CA GLY A 14 7.441 4.383 0.732 1.00 0.00 C ATOM 210 C GLY A 14 6.885 4.215 -0.665 1.00 0.00 C ATOM 211 O GLY A 14 7.224 3.271 -1.362 1.00 0.00 O ATOM 0 H GLY A 14 7.209 6.160 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.350 3.791 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.725 4.000 1.459 1.00 0.00 H new ATOM 215 N ALA A 15 6.048 5.161 -1.075 1.00 0.00 N ATOM 216 CA ALA A 15 5.462 5.165 -2.407 1.00 0.00 C ATOM 217 C ALA A 15 6.548 5.328 -3.452 1.00 0.00 C ATOM 218 O ALA A 15 6.502 4.727 -4.524 1.00 0.00 O ATOM 219 CB ALA A 15 4.453 6.291 -2.525 1.00 0.00 C ATOM 0 H ALA A 15 5.758 5.946 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 15 4.953 4.215 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.019 6.287 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.664 6.151 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.950 7.245 -2.349 1.00 0.00 H new ATOM 225 N ARG A 16 7.526 6.152 -3.123 1.00 0.00 N ATOM 226 CA ARG A 16 8.662 6.381 -3.994 1.00 0.00 C ATOM 227 C ARG A 16 9.479 5.103 -4.136 1.00 0.00 C ATOM 228 O ARG A 16 9.956 4.777 -5.219 1.00 0.00 O ATOM 229 CB ARG A 16 9.522 7.518 -3.451 1.00 0.00 C ATOM 230 CG ARG A 16 8.799 8.853 -3.412 1.00 0.00 C ATOM 231 CD ARG A 16 9.682 9.953 -2.854 1.00 0.00 C ATOM 232 NE ARG A 16 8.966 11.227 -2.745 1.00 0.00 N ATOM 233 CZ ARG A 16 9.426 12.295 -2.086 1.00 0.00 C ATOM 234 NH1 ARG A 16 10.619 12.257 -1.503 1.00 0.00 N ATOM 235 NH2 ARG A 16 8.698 13.408 -2.025 1.00 0.00 N ATOM 0 H ARG A 16 7.555 6.678 -2.250 1.00 0.00 H new ATOM 0 HA ARG A 16 8.300 6.669 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.855 7.264 -2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.416 7.615 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.475 9.121 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.901 8.763 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.051 9.659 -1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.553 10.080 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 16 8.057 11.304 -3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.187 11.411 -1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.967 13.074 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.787 13.447 -2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.051 14.222 -1.521 1.00 0.00 H new ATOM 249 N ASP A 17 9.619 4.374 -3.032 1.00 0.00 N ATOM 250 CA ASP A 17 10.319 3.091 -3.043 1.00 0.00 C ATOM 251 C ASP A 17 9.509 2.063 -3.816 1.00 0.00 C ATOM 252 O ASP A 17 10.064 1.249 -4.568 1.00 0.00 O ATOM 253 CB ASP A 17 10.571 2.574 -1.617 1.00 0.00 C ATOM 254 CG ASP A 17 11.756 3.228 -0.935 1.00 0.00 C ATOM 255 OD1 ASP A 17 12.899 2.965 -1.343 1.00 0.00 O ATOM 256 OD2 ASP A 17 11.550 3.988 0.038 1.00 0.00 O ATOM 0 H ASP A 17 9.258 4.649 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 17 11.283 3.244 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.678 2.742 -1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.732 1.497 -1.653 1.00 0.00 H new ATOM 261 N GLU A 18 8.191 2.113 -3.635 1.00 0.00 N ATOM 262 CA GLU A 18 7.281 1.202 -4.309 1.00 0.00 C ATOM 263 C GLU A 18 7.253 1.434 -5.810 1.00 0.00 C ATOM 264 O GLU A 18 6.871 0.543 -6.578 1.00 0.00 O ATOM 265 CB GLU A 18 5.872 1.272 -3.713 1.00 0.00 C ATOM 266 CG GLU A 18 5.750 0.574 -2.369 1.00 0.00 C ATOM 267 CD GLU A 18 4.323 0.205 -2.023 1.00 0.00 C ATOM 268 OE1 GLU A 18 3.765 -0.691 -2.689 1.00 0.00 O ATOM 269 OE2 GLU A 18 3.771 0.771 -1.067 1.00 0.00 O ATOM 0 H GLU A 18 7.730 2.784 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 18 7.662 0.194 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.586 2.317 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.167 0.823 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.361 -0.328 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.151 1.223 -1.591 1.00 0.00 H new ATOM 276 N TYR A 19 7.653 2.623 -6.231 1.00 0.00 N ATOM 277 CA TYR A 19 7.746 2.923 -7.641 1.00 0.00 C ATOM 278 C TYR A 19 8.700 1.938 -8.307 1.00 0.00 C ATOM 279 O TYR A 19 8.413 1.404 -9.380 1.00 0.00 O ATOM 280 CB TYR A 19 8.230 4.366 -7.857 1.00 0.00 C ATOM 281 CG TYR A 19 8.356 4.762 -9.315 1.00 0.00 C ATOM 282 CD1 TYR A 19 7.239 5.136 -10.049 1.00 0.00 C ATOM 283 CD2 TYR A 19 9.588 4.759 -9.957 1.00 0.00 C ATOM 284 CE1 TYR A 19 7.344 5.494 -11.377 1.00 0.00 C ATOM 285 CE2 TYR A 19 9.704 5.116 -11.285 1.00 0.00 C ATOM 286 CZ TYR A 19 8.577 5.482 -11.992 1.00 0.00 C ATOM 287 OH TYR A 19 8.684 5.836 -13.318 1.00 0.00 O ATOM 0 H TYR A 19 7.917 3.391 -5.614 1.00 0.00 H new ATOM 0 HA TYR A 19 6.758 2.827 -8.091 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.537 5.048 -7.364 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.198 4.490 -7.372 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.270 5.147 -9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.472 4.472 -9.406 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.464 5.782 -11.932 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.670 5.109 -11.768 1.00 0.00 H new ATOM 0 HH TYR A 19 9.621 5.776 -13.598 1.00 0.00 H new ATOM 297 N TRP A 20 9.821 1.687 -7.651 1.00 0.00 N ATOM 298 CA TRP A 20 10.817 0.758 -8.160 1.00 0.00 C ATOM 299 C TRP A 20 10.446 -0.675 -7.806 1.00 0.00 C ATOM 300 O TRP A 20 10.526 -1.578 -8.636 1.00 0.00 O ATOM 301 CB TRP A 20 12.201 1.093 -7.601 1.00 0.00 C ATOM 302 CG TRP A 20 12.606 2.511 -7.840 1.00 0.00 C ATOM 303 CD1 TRP A 20 12.743 3.129 -9.045 1.00 0.00 C ATOM 304 CD2 TRP A 20 12.934 3.485 -6.846 1.00 0.00 C ATOM 305 NE1 TRP A 20 13.127 4.431 -8.864 1.00 0.00 N ATOM 306 CE2 TRP A 20 13.254 4.676 -7.523 1.00 0.00 C ATOM 307 CE3 TRP A 20 12.987 3.468 -5.450 1.00 0.00 C ATOM 308 CZ2 TRP A 20 13.619 5.839 -6.855 1.00 0.00 C ATOM 309 CZ3 TRP A 20 13.352 4.624 -4.786 1.00 0.00 C ATOM 310 CH2 TRP A 20 13.663 5.794 -5.488 1.00 0.00 C ATOM 0 H TRP A 20 10.065 2.117 -6.759 1.00 0.00 H new ATOM 0 HA TRP A 20 10.845 0.854 -9.245 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.210 0.895 -6.529 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.939 0.430 -8.054 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.574 2.661 -10.004 1.00 0.00 H new ATOM 0 HE1 TRP A 20 13.292 5.109 -9.608 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.748 2.570 -4.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.859 6.744 -7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.398 4.624 -3.707 1.00 0.00 H new ATOM 0 HH2 TRP A 20 13.944 6.681 -4.939 1.00 0.00 H new ATOM 321 N LYS A 21 10.035 -0.867 -6.569 1.00 0.00 N ATOM 322 CA LYS A 21 9.688 -2.182 -6.060 1.00 0.00 C ATOM 323 C LYS A 21 8.366 -2.112 -5.319 1.00 0.00 C ATOM 324 O LYS A 21 8.292 -1.525 -4.244 1.00 0.00 O ATOM 325 CB LYS A 21 10.782 -2.648 -5.105 1.00 0.00 C ATOM 326 CG LYS A 21 10.590 -4.043 -4.539 1.00 0.00 C ATOM 327 CD LYS A 21 11.288 -4.176 -3.192 1.00 0.00 C ATOM 328 CE LYS A 21 12.758 -3.780 -3.271 1.00 0.00 C ATOM 329 NZ LYS A 21 13.328 -3.511 -1.929 1.00 0.00 N ATOM 0 H LYS A 21 9.931 -0.116 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 21 9.596 -2.883 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.738 -2.613 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.845 -1.942 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.526 -4.252 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.988 -4.782 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.782 -3.549 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.208 -5.205 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.324 -4.577 -3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.862 -2.892 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.284 -3.116 -2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.724 -2.831 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.376 -4.398 -1.388 1.00 0.00 H new ATOM 343 N CYS A 22 7.326 -2.698 -5.889 1.00 0.00 N ATOM 344 CA CYS A 22 6.016 -2.652 -5.259 1.00 0.00 C ATOM 345 C CYS A 22 6.043 -3.381 -3.916 1.00 0.00 C ATOM 346 O CYS A 22 6.734 -4.394 -3.760 1.00 0.00 O ATOM 347 CB CYS A 22 4.945 -3.248 -6.184 1.00 0.00 C ATOM 348 SG CYS A 22 5.183 -5.013 -6.588 1.00 0.00 S ATOM 0 H CYS A 22 7.361 -3.204 -6.774 1.00 0.00 H new ATOM 0 HA CYS A 22 5.759 -1.609 -5.077 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.969 -3.125 -5.714 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.926 -2.676 -7.112 1.00 0.00 H new ATOM 353 N LEU A 23 5.293 -2.855 -2.957 1.00 0.00 N ATOM 354 CA LEU A 23 5.231 -3.388 -1.603 1.00 0.00 C ATOM 355 C LEU A 23 6.608 -3.444 -0.961 1.00 0.00 C ATOM 356 O LEU A 23 6.942 -4.399 -0.258 1.00 0.00 O ATOM 357 CB LEU A 23 4.559 -4.762 -1.556 1.00 0.00 C ATOM 358 CG LEU A 23 3.501 -4.923 -0.461 1.00 0.00 C ATOM 359 CD1 LEU A 23 4.089 -4.658 0.913 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.326 -3.999 -0.716 1.00 0.00 C ATOM 0 H LEU A 23 4.703 -2.035 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 23 4.614 -2.699 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.094 -4.956 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.327 -5.522 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 23 3.149 -5.954 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.314 -4.780 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.898 -5.363 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.478 -3.640 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.584 -4.127 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.671 -2.965 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.877 -4.239 -1.680 1.00 0.00 H new ATOM 372 N ASP A 24 7.391 -2.402 -1.188 1.00 0.00 N ATOM 373 CA ASP A 24 8.713 -2.262 -0.579 1.00 0.00 C ATOM 374 C ASP A 24 8.567 -2.180 0.945 1.00 0.00 C ATOM 375 O ASP A 24 9.522 -2.373 1.692 1.00 0.00 O ATOM 376 CB ASP A 24 9.397 -0.997 -1.119 1.00 0.00 C ATOM 377 CG ASP A 24 10.844 -0.868 -0.692 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.721 -1.443 -1.368 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.119 -0.174 0.303 1.00 0.00 O ATOM 0 H ASP A 24 7.132 -1.627 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 24 9.327 -3.127 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.346 -1.002 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.846 -0.121 -0.778 1.00 0.00 H new ATOM 384 N GLU A 25 7.344 -1.896 1.376 1.00 0.00 N ATOM 385 CA GLU A 25 6.986 -1.797 2.770 1.00 0.00 C ATOM 386 C GLU A 25 7.333 -3.064 3.551 1.00 0.00 C ATOM 387 O GLU A 25 8.165 -3.041 4.455 1.00 0.00 O ATOM 388 CB GLU A 25 5.489 -1.595 2.842 1.00 0.00 C ATOM 389 CG GLU A 25 5.074 -0.335 3.516 1.00 0.00 C ATOM 390 CD GLU A 25 5.480 -0.311 4.969 1.00 0.00 C ATOM 391 OE1 GLU A 25 4.831 -0.998 5.774 1.00 0.00 O ATOM 392 OE2 GLU A 25 6.461 0.378 5.309 1.00 0.00 O ATOM 0 H GLU A 25 6.561 -1.726 0.745 1.00 0.00 H new ATOM 0 HA GLU A 25 7.543 -0.970 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.084 -1.603 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.045 -2.439 3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.520 0.516 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.993 -0.222 3.440 1.00 0.00 H new ATOM 399 N ASN A 26 6.702 -4.170 3.179 1.00 0.00 N ATOM 400 CA ASN A 26 6.906 -5.434 3.906 1.00 0.00 C ATOM 401 C ASN A 26 7.305 -6.582 2.989 1.00 0.00 C ATOM 402 O ASN A 26 7.952 -7.525 3.428 1.00 0.00 O ATOM 403 CB ASN A 26 5.630 -5.819 4.670 1.00 0.00 C ATOM 404 CG ASN A 26 5.198 -4.759 5.658 1.00 0.00 C ATOM 405 OD1 ASN A 26 5.631 -4.753 6.803 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.329 -3.861 5.221 1.00 0.00 N ATOM 0 H ASN A 26 6.054 -4.227 2.393 1.00 0.00 H new ATOM 0 HA ASN A 26 7.728 -5.264 4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.824 -5.995 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.798 -6.757 5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.995 -3.128 5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.993 -3.902 4.259 1.00 0.00 H new ATOM 413 N LEU A 27 6.922 -6.490 1.714 1.00 0.00 N ATOM 414 CA LEU A 27 7.194 -7.550 0.716 1.00 0.00 C ATOM 415 C LEU A 27 6.585 -8.913 1.116 1.00 0.00 C ATOM 416 O LEU A 27 6.906 -9.936 0.515 1.00 0.00 O ATOM 417 CB LEU A 27 8.707 -7.719 0.463 1.00 0.00 C ATOM 418 CG LEU A 27 9.456 -6.518 -0.135 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.768 -5.480 0.930 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.730 -6.981 -0.818 1.00 0.00 C ATOM 0 H LEU A 27 6.417 -5.688 1.337 1.00 0.00 H new ATOM 0 HA LEU A 27 6.712 -7.220 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.182 -7.976 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.845 -8.570 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 27 8.810 -6.050 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.298 -4.642 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.839 -5.124 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.391 -5.928 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.251 -6.121 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.374 -7.476 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.481 -7.679 -1.617 1.00 0.00 H new ATOM 432 N GLU A 28 5.698 -8.916 2.110 1.00 0.00 N ATOM 433 CA GLU A 28 5.091 -10.160 2.578 1.00 0.00 C ATOM 434 C GLU A 28 4.060 -10.693 1.586 1.00 0.00 C ATOM 435 O GLU A 28 4.008 -11.891 1.323 1.00 0.00 O ATOM 436 CB GLU A 28 4.485 -9.987 3.971 1.00 0.00 C ATOM 437 CG GLU A 28 5.526 -9.738 5.053 1.00 0.00 C ATOM 438 CD GLU A 28 4.921 -9.549 6.425 1.00 0.00 C ATOM 439 OE1 GLU A 28 4.772 -8.386 6.852 1.00 0.00 O ATOM 440 OE2 GLU A 28 4.597 -10.560 7.085 1.00 0.00 O ATOM 0 H GLU A 28 5.386 -8.079 2.603 1.00 0.00 H new ATOM 0 HA GLU A 28 5.884 -10.904 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.783 -9.154 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.914 -10.880 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.220 -10.578 5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.107 -8.853 4.793 1.00 0.00 H new ATOM 447 N ASP A 29 3.243 -9.810 1.044 1.00 0.00 N ATOM 448 CA ASP A 29 2.283 -10.208 0.033 1.00 0.00 C ATOM 449 C ASP A 29 2.357 -9.275 -1.147 1.00 0.00 C ATOM 450 O ASP A 29 1.646 -8.274 -1.224 1.00 0.00 O ATOM 451 CB ASP A 29 0.861 -10.269 0.574 1.00 0.00 C ATOM 452 CG ASP A 29 -0.118 -10.826 -0.453 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.111 -12.058 -0.682 1.00 0.00 O ATOM 454 OD2 ASP A 29 -0.889 -10.043 -1.039 1.00 0.00 O ATOM 0 H ASP A 29 3.225 -8.819 1.285 1.00 0.00 H new ATOM 0 HA ASP A 29 2.546 -11.217 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.840 -10.891 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.544 -9.270 0.873 1.00 0.00 H new ATOM 459 N ALA A 30 3.258 -9.581 -2.037 1.00 0.00 N ATOM 460 CA ALA A 30 3.455 -8.798 -3.235 1.00 0.00 C ATOM 461 C ALA A 30 2.282 -8.981 -4.189 1.00 0.00 C ATOM 462 O ALA A 30 2.145 -8.266 -5.175 1.00 0.00 O ATOM 463 CB ALA A 30 4.769 -9.161 -3.906 1.00 0.00 C ATOM 0 H ALA A 30 3.882 -10.384 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 30 3.504 -7.745 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.896 -8.559 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.594 -8.967 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.761 -10.217 -4.174 1.00 0.00 H new ATOM 469 N SER A 31 1.455 -9.956 -3.887 1.00 0.00 N ATOM 470 CA SER A 31 0.287 -10.268 -4.676 1.00 0.00 C ATOM 471 C SER A 31 -0.615 -9.033 -4.850 1.00 0.00 C ATOM 472 O SER A 31 -1.161 -8.792 -5.932 1.00 0.00 O ATOM 473 CB SER A 31 -0.481 -11.376 -3.977 1.00 0.00 C ATOM 474 OG SER A 31 0.411 -12.357 -3.454 1.00 0.00 O ATOM 0 H SER A 31 1.577 -10.562 -3.076 1.00 0.00 H new ATOM 0 HA SER A 31 0.601 -10.589 -5.669 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.081 -10.956 -3.170 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.173 -11.843 -4.678 1.00 0.00 H new ATOM 0 HG SER A 31 0.333 -12.383 -2.477 1.00 0.00 H new ATOM 480 N GLN A 32 -0.755 -8.261 -3.782 1.00 0.00 N ATOM 481 CA GLN A 32 -1.589 -7.065 -3.793 1.00 0.00 C ATOM 482 C GLN A 32 -0.746 -5.794 -4.045 1.00 0.00 C ATOM 483 O GLN A 32 -1.280 -4.680 -4.081 1.00 0.00 O ATOM 484 CB GLN A 32 -2.325 -6.948 -2.451 1.00 0.00 C ATOM 485 CG GLN A 32 -3.464 -5.940 -2.442 1.00 0.00 C ATOM 486 CD GLN A 32 -4.619 -6.365 -3.318 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.669 -6.045 -4.504 1.00 0.00 O ATOM 488 NE2 GLN A 32 -5.555 -7.083 -2.739 1.00 0.00 N ATOM 0 H GLN A 32 -0.298 -8.443 -2.889 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.310 -7.153 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.721 -7.927 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.606 -6.672 -1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.818 -5.805 -1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.092 -4.973 -2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.474 -7.326 -1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.363 -7.397 -3.277 1.00 0.00 H new ATOM 497 N CYS A 33 0.560 -5.969 -4.255 1.00 0.00 N ATOM 498 CA CYS A 33 1.481 -4.825 -4.378 1.00 0.00 C ATOM 499 C CYS A 33 1.116 -3.892 -5.511 1.00 0.00 C ATOM 500 O CYS A 33 1.346 -2.704 -5.421 1.00 0.00 O ATOM 501 CB CYS A 33 2.929 -5.275 -4.553 1.00 0.00 C ATOM 502 SG CYS A 33 3.361 -5.848 -6.236 1.00 0.00 S ATOM 0 H CYS A 33 1.006 -6.882 -4.344 1.00 0.00 H new ATOM 0 HA CYS A 33 1.382 -4.279 -3.440 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.586 -4.447 -4.287 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.131 -6.081 -3.848 1.00 0.00 H new ATOM 507 N LYS A 34 0.547 -4.427 -6.569 1.00 0.00 N ATOM 508 CA LYS A 34 0.211 -3.618 -7.727 1.00 0.00 C ATOM 509 C LYS A 34 -0.836 -2.563 -7.373 1.00 0.00 C ATOM 510 O LYS A 34 -0.679 -1.376 -7.693 1.00 0.00 O ATOM 511 CB LYS A 34 -0.275 -4.505 -8.869 1.00 0.00 C ATOM 512 CG LYS A 34 0.686 -5.635 -9.217 1.00 0.00 C ATOM 513 CD LYS A 34 2.024 -5.109 -9.712 1.00 0.00 C ATOM 514 CE LYS A 34 3.014 -6.244 -9.908 1.00 0.00 C ATOM 515 NZ LYS A 34 4.292 -5.782 -10.511 1.00 0.00 N ATOM 0 H LYS A 34 0.307 -5.415 -6.655 1.00 0.00 H new ATOM 0 HA LYS A 34 1.110 -3.096 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.241 -4.931 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.433 -3.889 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.844 -6.260 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.239 -6.269 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.884 -4.577 -10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.425 -4.391 -8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.218 -6.715 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.568 -7.006 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.935 -6.592 -10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.103 -5.356 -11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.733 -5.075 -9.889 1.00 0.00 H new ATOM 529 N LYS A 35 -1.880 -2.989 -6.679 1.00 0.00 N ATOM 530 CA LYS A 35 -2.940 -2.083 -6.273 1.00 0.00 C ATOM 531 C LYS A 35 -2.453 -1.147 -5.174 1.00 0.00 C ATOM 532 O LYS A 35 -2.728 0.052 -5.202 1.00 0.00 O ATOM 533 CB LYS A 35 -4.188 -2.855 -5.797 1.00 0.00 C ATOM 534 CG LYS A 35 -5.005 -3.511 -6.917 1.00 0.00 C ATOM 535 CD LYS A 35 -4.259 -4.661 -7.577 1.00 0.00 C ATOM 536 CE LYS A 35 -5.073 -5.280 -8.703 1.00 0.00 C ATOM 537 NZ LYS A 35 -4.335 -6.379 -9.375 1.00 0.00 N ATOM 0 H LYS A 35 -2.015 -3.957 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.219 -1.491 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.874 -3.628 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.834 -2.170 -5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.947 -3.878 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.253 -2.762 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.308 -4.301 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.029 -5.422 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.012 -5.663 -8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.326 -4.512 -9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.921 -6.776 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.450 -6.008 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.115 -7.124 -8.683 1.00 0.00 H new ATOM 551 N LEU A 36 -1.708 -1.695 -4.222 1.00 0.00 N ATOM 552 CA LEU A 36 -1.203 -0.907 -3.101 1.00 0.00 C ATOM 553 C LEU A 36 -0.191 0.135 -3.566 1.00 0.00 C ATOM 554 O LEU A 36 -0.215 1.273 -3.103 1.00 0.00 O ATOM 555 CB LEU A 36 -0.613 -1.816 -2.017 1.00 0.00 C ATOM 556 CG LEU A 36 -1.583 -2.864 -1.450 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.048 -3.471 -0.170 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.954 -2.263 -1.230 1.00 0.00 C ATOM 0 H LEU A 36 -1.440 -2.679 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.044 -0.369 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.255 -2.331 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.255 -1.193 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.676 -3.665 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.757 -4.209 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.092 -3.955 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.910 -2.687 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.624 -3.023 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.880 -1.435 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.347 -1.897 -2.178 1.00 0.00 H new ATOM 570 N ARG A 37 0.687 -0.258 -4.483 1.00 0.00 N ATOM 571 CA ARG A 37 1.652 0.670 -5.080 1.00 0.00 C ATOM 572 C ARG A 37 0.915 1.845 -5.700 1.00 0.00 C ATOM 573 O ARG A 37 1.246 3.004 -5.452 1.00 0.00 O ATOM 574 CB ARG A 37 2.454 -0.041 -6.169 1.00 0.00 C ATOM 575 CG ARG A 37 3.473 0.833 -6.885 1.00 0.00 C ATOM 576 CD ARG A 37 3.794 0.256 -8.250 1.00 0.00 C ATOM 577 NE ARG A 37 4.957 0.881 -8.882 1.00 0.00 N ATOM 578 CZ ARG A 37 4.891 1.733 -9.912 1.00 0.00 C ATOM 579 NH1 ARG A 37 3.730 2.263 -10.271 1.00 0.00 N ATOM 580 NH2 ARG A 37 6.000 2.102 -10.543 1.00 0.00 N ATOM 0 H ARG A 37 0.753 -1.214 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 37 2.327 1.025 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.973 -0.889 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.760 -0.444 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.082 1.845 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.383 0.905 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.974 -0.815 -8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.927 0.375 -8.900 1.00 0.00 H new ATOM 0 HE ARG A 37 5.880 0.652 -8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.880 2.022 -9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.687 2.912 -11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.903 1.736 -10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.948 2.751 -11.328 1.00 0.00 H new ATOM 594 N SER A 38 -0.112 1.529 -6.491 1.00 0.00 N ATOM 595 CA SER A 38 -0.897 2.543 -7.165 1.00 0.00 C ATOM 596 C SER A 38 -1.604 3.448 -6.147 1.00 0.00 C ATOM 597 O SER A 38 -1.784 4.644 -6.383 1.00 0.00 O ATOM 598 CB SER A 38 -1.914 1.888 -8.108 1.00 0.00 C ATOM 599 OG SER A 38 -2.471 2.836 -9.010 1.00 0.00 O ATOM 0 H SER A 38 -0.414 0.572 -6.676 1.00 0.00 H new ATOM 0 HA SER A 38 -0.225 3.163 -7.758 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.429 1.090 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.711 1.428 -7.523 1.00 0.00 H new ATOM 0 HG SER A 38 -3.114 2.389 -9.599 1.00 0.00 H new ATOM 605 N SER A 39 -1.979 2.875 -5.011 1.00 0.00 N ATOM 606 CA SER A 39 -2.644 3.626 -3.957 1.00 0.00 C ATOM 607 C SER A 39 -1.661 4.579 -3.272 1.00 0.00 C ATOM 608 O SER A 39 -2.003 5.713 -2.937 1.00 0.00 O ATOM 609 CB SER A 39 -3.248 2.661 -2.933 1.00 0.00 C ATOM 610 OG SER A 39 -4.101 1.716 -3.565 1.00 0.00 O ATOM 0 H SER A 39 -1.833 1.889 -4.796 1.00 0.00 H new ATOM 0 HA SER A 39 -3.443 4.220 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.450 2.139 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.811 3.222 -2.187 1.00 0.00 H new ATOM 0 HG SER A 39 -3.584 1.187 -4.208 1.00 0.00 H new ATOM 616 N PHE A 40 -0.437 4.117 -3.093 1.00 0.00 N ATOM 617 CA PHE A 40 0.608 4.907 -2.464 1.00 0.00 C ATOM 618 C PHE A 40 1.065 6.052 -3.368 1.00 0.00 C ATOM 619 O PHE A 40 1.288 7.167 -2.909 1.00 0.00 O ATOM 620 CB PHE A 40 1.793 4.010 -2.110 1.00 0.00 C ATOM 621 CG PHE A 40 1.891 3.668 -0.650 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.771 3.282 0.065 1.00 0.00 C ATOM 623 CD2 PHE A 40 3.108 3.733 0.007 1.00 0.00 C ATOM 624 CE1 PHE A 40 0.864 2.969 1.406 1.00 0.00 C ATOM 625 CE2 PHE A 40 3.208 3.420 1.347 1.00 0.00 C ATOM 626 CZ PHE A 40 2.085 3.037 2.047 1.00 0.00 C ATOM 0 H PHE A 40 -0.138 3.185 -3.379 1.00 0.00 H new ATOM 0 HA PHE A 40 0.200 5.346 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.720 3.086 -2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.714 4.505 -2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.186 3.225 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.991 4.033 -0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.018 2.671 1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.164 3.475 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.160 2.790 3.096 1.00 0.00 H new ATOM 636 N GLU A 41 1.166 5.779 -4.650 1.00 0.00 N ATOM 637 CA GLU A 41 1.641 6.772 -5.607 1.00 0.00 C ATOM 638 C GLU A 41 0.529 7.738 -5.988 1.00 0.00 C ATOM 639 O GLU A 41 0.753 8.696 -6.732 1.00 0.00 O ATOM 640 CB GLU A 41 2.191 6.093 -6.858 1.00 0.00 C ATOM 641 CG GLU A 41 1.147 5.321 -7.643 1.00 0.00 C ATOM 642 CD GLU A 41 1.724 4.575 -8.825 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.699 3.333 -8.815 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.202 5.237 -9.775 1.00 0.00 O ATOM 0 H GLU A 41 0.926 4.877 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 41 2.442 7.337 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.634 6.849 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.992 5.412 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.653 4.611 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.382 6.012 -7.996 1.00 0.00 H new ATOM 651 N SER A 42 -0.664 7.481 -5.470 1.00 0.00 N ATOM 652 CA SER A 42 -1.842 8.274 -5.787 1.00 0.00 C ATOM 653 C SER A 42 -1.637 9.756 -5.480 1.00 0.00 C ATOM 654 O SER A 42 -2.120 10.621 -6.215 1.00 0.00 O ATOM 655 CB SER A 42 -3.057 7.730 -5.046 1.00 0.00 C ATOM 656 OG SER A 42 -3.509 6.518 -5.627 1.00 0.00 O ATOM 0 H SER A 42 -0.842 6.717 -4.818 1.00 0.00 H new ATOM 0 HA SER A 42 -2.016 8.193 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.803 7.563 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.859 8.468 -5.066 1.00 0.00 H new ATOM 0 HG SER A 42 -2.739 5.952 -5.843 1.00 0.00 H new ATOM 662 N SER A 43 -0.939 10.054 -4.396 1.00 0.00 N ATOM 663 CA SER A 43 -0.661 11.438 -4.050 1.00 0.00 C ATOM 664 C SER A 43 0.660 11.576 -3.293 1.00 0.00 C ATOM 665 O SER A 43 1.703 11.809 -3.904 1.00 0.00 O ATOM 666 CB SER A 43 -1.821 12.048 -3.247 1.00 0.00 C ATOM 667 OG SER A 43 -3.027 12.028 -3.996 1.00 0.00 O ATOM 0 H SER A 43 -0.558 9.365 -3.747 1.00 0.00 H new ATOM 0 HA SER A 43 -0.563 11.994 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.956 11.493 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.577 13.074 -2.972 1.00 0.00 H new ATOM 0 HG SER A 43 -3.686 11.464 -3.540 1.00 0.00 H new ATOM 673 N CYS A 44 0.610 11.373 -1.971 1.00 0.00 N ATOM 674 CA CYS A 44 1.782 11.510 -1.088 1.00 0.00 C ATOM 675 C CYS A 44 1.357 11.453 0.398 1.00 0.00 C ATOM 676 O CYS A 44 1.923 10.683 1.171 1.00 0.00 O ATOM 677 CB CYS A 44 2.565 12.816 -1.378 1.00 0.00 C ATOM 678 SG CYS A 44 3.938 13.177 -0.224 1.00 0.00 S ATOM 0 H CYS A 44 -0.244 11.109 -1.480 1.00 0.00 H new ATOM 0 HA CYS A 44 2.447 10.671 -1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.967 12.762 -2.390 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.866 13.652 -1.357 1.00 0.00 H new ATOM 683 N PRO A 45 0.348 12.273 0.831 1.00 0.00 N ATOM 684 CA PRO A 45 -0.140 12.236 2.211 1.00 0.00 C ATOM 685 C PRO A 45 -0.966 10.981 2.478 1.00 0.00 C ATOM 686 O PRO A 45 -1.692 10.503 1.598 1.00 0.00 O ATOM 687 CB PRO A 45 -1.019 13.484 2.318 1.00 0.00 C ATOM 688 CG PRO A 45 -1.492 13.725 0.931 1.00 0.00 C ATOM 689 CD PRO A 45 -0.368 13.300 0.031 1.00 0.00 C ATOM 0 HA PRO A 45 0.673 12.217 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.854 13.324 3.000 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.455 14.335 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.396 13.153 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.737 14.776 0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.739 12.890 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.282 14.137 -0.222 1.00 0.00 H new ATOM 697 N GLN A 46 -0.878 10.474 3.693 1.00 0.00 N ATOM 698 CA GLN A 46 -1.563 9.252 4.069 1.00 0.00 C ATOM 699 C GLN A 46 -3.068 9.451 4.101 1.00 0.00 C ATOM 700 O GLN A 46 -3.811 8.500 3.988 1.00 0.00 O ATOM 701 CB GLN A 46 -1.053 8.745 5.422 1.00 0.00 C ATOM 702 CG GLN A 46 -1.561 7.357 5.819 1.00 0.00 C ATOM 703 CD GLN A 46 -0.923 6.862 7.104 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.575 7.650 7.984 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.758 5.559 7.215 1.00 0.00 N ATOM 0 H GLN A 46 -0.332 10.896 4.444 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.345 8.498 3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.037 8.725 5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.343 9.457 6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.644 7.389 5.941 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.351 6.651 5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.060 4.941 6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.328 5.169 8.054 1.00 0.00 H new ATOM 714 N GLN A 47 -3.514 10.693 4.250 1.00 0.00 N ATOM 715 CA GLN A 47 -4.946 10.979 4.274 1.00 0.00 C ATOM 716 C GLN A 47 -5.627 10.453 3.008 1.00 0.00 C ATOM 717 O GLN A 47 -6.494 9.585 3.078 1.00 0.00 O ATOM 718 CB GLN A 47 -5.205 12.478 4.429 1.00 0.00 C ATOM 719 CG GLN A 47 -6.683 12.828 4.521 1.00 0.00 C ATOM 720 CD GLN A 47 -6.924 14.297 4.784 1.00 0.00 C ATOM 721 OE1 GLN A 47 -6.144 15.155 4.371 1.00 0.00 O ATOM 722 NE2 GLN A 47 -7.998 14.597 5.484 1.00 0.00 N ATOM 0 H GLN A 47 -2.914 11.511 4.355 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.372 10.467 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.698 12.836 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.766 13.005 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.177 12.545 3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.141 12.241 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.619 13.856 5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.209 15.571 5.702 1.00 0.00 H new ATOM 731 N TRP A 48 -5.212 10.964 1.854 1.00 0.00 N ATOM 732 CA TRP A 48 -5.784 10.530 0.588 1.00 0.00 C ATOM 733 C TRP A 48 -5.356 9.107 0.267 1.00 0.00 C ATOM 734 O TRP A 48 -6.171 8.286 -0.163 1.00 0.00 O ATOM 735 CB TRP A 48 -5.373 11.467 -0.554 1.00 0.00 C ATOM 736 CG TRP A 48 -5.977 11.082 -1.877 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.483 10.178 -2.778 1.00 0.00 C ATOM 738 CD2 TRP A 48 -7.192 11.584 -2.440 1.00 0.00 C ATOM 739 NE1 TRP A 48 -6.316 10.089 -3.861 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.372 10.943 -3.681 1.00 0.00 C ATOM 741 CE3 TRP A 48 -8.147 12.514 -2.017 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -8.466 11.203 -4.498 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -9.231 12.770 -2.832 1.00 0.00 C ATOM 744 CH2 TRP A 48 -9.383 12.114 -4.059 1.00 0.00 C ATOM 0 H TRP A 48 -4.486 11.675 1.771 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.869 10.561 0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.673 12.485 -0.307 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.287 11.467 -0.643 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.569 9.616 -2.653 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.173 9.485 -4.670 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.038 13.022 -1.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.586 10.702 -5.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.974 13.488 -2.518 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.245 12.333 -4.672 1.00 0.00 H new ATOM 755 N ILE A 49 -4.074 8.821 0.480 1.00 0.00 N ATOM 756 CA ILE A 49 -3.533 7.502 0.201 1.00 0.00 C ATOM 757 C ILE A 49 -4.280 6.432 0.951 1.00 0.00 C ATOM 758 O ILE A 49 -4.821 5.537 0.348 1.00 0.00 O ATOM 759 CB ILE A 49 -2.028 7.413 0.529 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.226 8.219 -0.494 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.551 5.949 0.578 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.252 8.245 -0.220 1.00 0.00 C ATOM 0 H ILE A 49 -3.394 9.488 0.845 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.659 7.337 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.863 7.839 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.395 7.800 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.601 9.242 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.487 5.921 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.105 5.411 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.723 5.478 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.754 8.835 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.433 8.692 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.642 7.227 -0.232 1.00 0.00 H new ATOM 774 N LYS A 50 -4.342 6.553 2.267 1.00 0.00 N ATOM 775 CA LYS A 50 -4.996 5.550 3.080 1.00 0.00 C ATOM 776 C LYS A 50 -6.486 5.497 2.818 1.00 0.00 C ATOM 777 O LYS A 50 -7.110 4.457 3.002 1.00 0.00 O ATOM 778 CB LYS A 50 -4.713 5.753 4.569 1.00 0.00 C ATOM 779 CG LYS A 50 -3.881 4.634 5.171 1.00 0.00 C ATOM 780 CD LYS A 50 -4.576 3.306 4.965 1.00 0.00 C ATOM 781 CE LYS A 50 -3.743 2.129 5.418 1.00 0.00 C ATOM 782 NZ LYS A 50 -4.270 0.866 4.850 1.00 0.00 N ATOM 0 H LYS A 50 -3.948 7.335 2.791 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.573 4.588 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.193 6.701 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.658 5.826 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.894 4.613 4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.730 4.814 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.520 3.307 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.818 3.188 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.707 2.269 5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.745 2.073 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.685 0.069 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.251 0.726 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.245 0.915 3.811 1.00 0.00 H new ATOM 796 N TYR A 51 -7.053 6.613 2.392 1.00 0.00 N ATOM 797 CA TYR A 51 -8.467 6.657 2.053 1.00 0.00 C ATOM 798 C TYR A 51 -8.761 5.642 0.943 1.00 0.00 C ATOM 799 O TYR A 51 -9.677 4.818 1.059 1.00 0.00 O ATOM 800 CB TYR A 51 -8.851 8.071 1.600 1.00 0.00 C ATOM 801 CG TYR A 51 -10.331 8.277 1.362 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.169 8.662 2.399 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.885 8.099 0.101 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.518 8.864 2.187 1.00 0.00 C ATOM 805 CE2 TYR A 51 -12.232 8.297 -0.118 1.00 0.00 C ATOM 806 CZ TYR A 51 -13.044 8.681 0.928 1.00 0.00 C ATOM 807 OH TYR A 51 -14.389 8.884 0.713 1.00 0.00 O ATOM 0 H TYR A 51 -6.559 7.498 2.273 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.059 6.401 2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.515 8.783 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.313 8.302 0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.759 8.806 3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.251 7.801 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.157 9.164 3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.649 8.152 -1.104 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.599 8.714 -0.229 1.00 0.00 H new ATOM 817 N PHE A 52 -7.983 5.713 -0.130 1.00 0.00 N ATOM 818 CA PHE A 52 -8.117 4.780 -1.245 1.00 0.00 C ATOM 819 C PHE A 52 -7.492 3.415 -0.908 1.00 0.00 C ATOM 820 O PHE A 52 -8.112 2.369 -1.096 1.00 0.00 O ATOM 821 CB PHE A 52 -7.483 5.365 -2.513 1.00 0.00 C ATOM 822 CG PHE A 52 -7.608 4.474 -3.720 1.00 0.00 C ATOM 823 CD1 PHE A 52 -8.841 4.258 -4.313 1.00 0.00 C ATOM 824 CD2 PHE A 52 -6.493 3.854 -4.258 1.00 0.00 C ATOM 825 CE1 PHE A 52 -8.960 3.441 -5.418 1.00 0.00 C ATOM 826 CE2 PHE A 52 -6.605 3.034 -5.366 1.00 0.00 C ATOM 827 CZ PHE A 52 -7.839 2.827 -5.946 1.00 0.00 C ATOM 0 H PHE A 52 -7.249 6.410 -0.253 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.180 4.624 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.950 6.325 -2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.427 5.559 -2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.720 4.735 -3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.525 4.013 -3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.928 3.281 -5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.728 2.557 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.930 2.187 -6.811 1.00 0.00 H new ATOM 837 N ASP A 53 -6.268 3.462 -0.397 1.00 0.00 N ATOM 838 CA ASP A 53 -5.469 2.268 -0.068 1.00 0.00 C ATOM 839 C ASP A 53 -6.207 1.298 0.832 1.00 0.00 C ATOM 840 O ASP A 53 -6.210 0.116 0.570 1.00 0.00 O ATOM 841 CB ASP A 53 -4.142 2.684 0.586 1.00 0.00 C ATOM 842 CG ASP A 53 -3.342 1.522 1.136 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.454 1.246 2.357 1.00 0.00 O ATOM 844 OD2 ASP A 53 -2.575 0.900 0.366 1.00 0.00 O ATOM 0 H ASP A 53 -5.788 4.338 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.274 1.749 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.536 3.215 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.350 3.385 1.394 1.00 0.00 H new ATOM 849 N LYS A 54 -6.864 1.812 1.874 1.00 0.00 N ATOM 850 CA LYS A 54 -7.574 0.966 2.856 1.00 0.00 C ATOM 851 C LYS A 54 -8.608 0.046 2.188 1.00 0.00 C ATOM 852 O LYS A 54 -9.070 -0.922 2.787 1.00 0.00 O ATOM 853 CB LYS A 54 -8.271 1.841 3.908 1.00 0.00 C ATOM 854 CG LYS A 54 -8.878 1.062 5.069 1.00 0.00 C ATOM 855 CD LYS A 54 -9.744 1.947 5.954 1.00 0.00 C ATOM 856 CE LYS A 54 -10.977 2.447 5.211 1.00 0.00 C ATOM 857 NZ LYS A 54 -11.874 3.231 6.090 1.00 0.00 N ATOM 0 H LYS A 54 -6.923 2.812 2.066 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.825 0.336 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.550 2.557 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.058 2.417 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.478 0.239 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.080 0.620 5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.052 1.388 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.159 2.798 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.667 3.063 4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.523 1.597 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.700 3.552 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.191 2.636 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.362 4.057 6.461 1.00 0.00 H new ATOM 871 N ARG A 55 -8.966 0.358 0.959 1.00 0.00 N ATOM 872 CA ARG A 55 -9.941 -0.423 0.236 1.00 0.00 C ATOM 873 C ARG A 55 -9.321 -1.732 -0.258 1.00 0.00 C ATOM 874 O ARG A 55 -9.929 -2.792 -0.155 1.00 0.00 O ATOM 875 CB ARG A 55 -10.475 0.383 -0.948 1.00 0.00 C ATOM 876 CG ARG A 55 -11.930 0.114 -1.273 1.00 0.00 C ATOM 877 CD ARG A 55 -12.837 0.565 -0.138 1.00 0.00 C ATOM 878 NE ARG A 55 -12.647 1.979 0.193 1.00 0.00 N ATOM 879 CZ ARG A 55 -13.154 2.577 1.276 1.00 0.00 C ATOM 880 NH1 ARG A 55 -13.927 1.898 2.117 1.00 0.00 N ATOM 881 NH2 ARG A 55 -12.891 3.858 1.509 1.00 0.00 N ATOM 0 H ARG A 55 -8.592 1.152 0.440 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.765 -0.663 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.351 1.445 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.870 0.161 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.203 0.636 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.074 -0.951 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.877 0.395 -0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.641 -0.043 0.745 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.090 2.546 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.136 0.916 1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.311 2.359 2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.303 4.384 0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.277 4.316 2.335 1.00 0.00 H new ATOM 895 N ARG A 56 -8.117 -1.643 -0.810 1.00 0.00 N ATOM 896 CA ARG A 56 -7.427 -2.817 -1.344 1.00 0.00 C ATOM 897 C ARG A 56 -6.257 -3.236 -0.450 1.00 0.00 C ATOM 898 O ARG A 56 -5.545 -4.190 -0.767 1.00 0.00 O ATOM 899 CB ARG A 56 -6.899 -2.532 -2.758 1.00 0.00 C ATOM 900 CG ARG A 56 -7.941 -1.988 -3.729 1.00 0.00 C ATOM 901 CD ARG A 56 -9.129 -2.927 -3.876 1.00 0.00 C ATOM 902 NE ARG A 56 -8.744 -4.251 -4.376 1.00 0.00 N ATOM 903 CZ ARG A 56 -9.592 -5.094 -4.973 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.847 -4.730 -5.185 1.00 0.00 N ATOM 905 NH2 ARG A 56 -9.181 -6.295 -5.367 1.00 0.00 N ATOM 0 H ARG A 56 -7.596 -0.771 -0.901 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.152 -3.631 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.079 -1.817 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.485 -3.453 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.289 -1.016 -3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.480 -1.831 -4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.622 -3.037 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.856 -2.483 -4.556 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.774 -4.545 -4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.166 -3.806 -4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.495 -5.373 -5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.213 -6.578 -5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.834 -6.933 -5.822 1.00 0.00 H new ATOM 919 N ASP A 57 -6.062 -2.516 0.647 1.00 0.00 N ATOM 920 CA ASP A 57 -4.908 -2.727 1.532 1.00 0.00 C ATOM 921 C ASP A 57 -4.812 -4.127 2.068 1.00 0.00 C ATOM 922 O ASP A 57 -5.803 -4.745 2.443 1.00 0.00 O ATOM 923 CB ASP A 57 -4.881 -1.732 2.686 1.00 0.00 C ATOM 924 CG ASP A 57 -3.657 -1.915 3.580 1.00 0.00 C ATOM 925 OD1 ASP A 57 -3.774 -1.687 4.804 1.00 0.00 O ATOM 926 OD2 ASP A 57 -2.566 -2.281 3.059 1.00 0.00 O ATOM 0 H ASP A 57 -6.690 -1.773 0.953 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.037 -2.559 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.889 -0.717 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.785 -1.847 3.284 1.00 0.00 H new ATOM 931 N TYR A 58 -3.615 -4.634 2.032 1.00 0.00 N ATOM 932 CA TYR A 58 -3.308 -5.914 2.573 1.00 0.00 C ATOM 933 C TYR A 58 -2.235 -5.786 3.668 1.00 0.00 C ATOM 934 O TYR A 58 -2.442 -6.172 4.819 1.00 0.00 O ATOM 935 CB TYR A 58 -2.837 -6.838 1.455 1.00 0.00 C ATOM 936 CG TYR A 58 -2.685 -8.285 1.858 1.00 0.00 C ATOM 937 CD1 TYR A 58 -3.580 -9.240 1.411 1.00 0.00 C ATOM 938 CD2 TYR A 58 -1.648 -8.692 2.679 1.00 0.00 C ATOM 939 CE1 TYR A 58 -3.444 -10.565 1.775 1.00 0.00 C ATOM 940 CE2 TYR A 58 -1.502 -10.007 3.046 1.00 0.00 C ATOM 941 CZ TYR A 58 -2.400 -10.942 2.593 1.00 0.00 C ATOM 942 OH TYR A 58 -2.260 -12.258 2.957 1.00 0.00 O ATOM 0 H TYR A 58 -2.814 -4.157 1.617 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.202 -6.340 3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.545 -6.777 0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.879 -6.476 1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.396 -8.945 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.939 -7.961 3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.151 -11.301 1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.686 -10.304 3.687 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.474 -12.356 3.534 1.00 0.00 H new ATOM 952 N LEU A 59 -1.087 -5.222 3.283 1.00 0.00 N ATOM 953 CA LEU A 59 0.088 -5.157 4.154 1.00 0.00 C ATOM 954 C LEU A 59 0.051 -4.039 5.211 1.00 0.00 C ATOM 955 O LEU A 59 0.527 -4.243 6.326 1.00 0.00 O ATOM 956 CB LEU A 59 1.393 -5.078 3.327 1.00 0.00 C ATOM 957 CG LEU A 59 1.844 -6.372 2.600 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.822 -7.564 3.531 1.00 0.00 C ATOM 959 CD2 LEU A 59 1.019 -6.637 1.347 1.00 0.00 C ATOM 0 H LEU A 59 -0.947 -4.800 2.365 1.00 0.00 H new ATOM 0 HA LEU A 59 0.066 -6.090 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.274 -4.293 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.198 -4.765 3.992 1.00 0.00 H new ATOM 0 HG LEU A 59 2.875 -6.216 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.143 -8.454 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.497 -7.385 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.810 -7.714 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.368 -7.552 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.031 -6.747 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.129 -5.802 0.656 1.00 0.00 H new ATOM 971 N LYS A 60 -0.503 -2.869 4.880 1.00 0.00 N ATOM 972 CA LYS A 60 -0.516 -1.742 5.847 1.00 0.00 C ATOM 973 C LYS A 60 -1.298 -2.092 7.116 1.00 0.00 C ATOM 974 O LYS A 60 -1.061 -1.511 8.179 1.00 0.00 O ATOM 975 CB LYS A 60 -1.055 -0.431 5.236 1.00 0.00 C ATOM 976 CG LYS A 60 0.011 0.506 4.647 1.00 0.00 C ATOM 977 CD LYS A 60 0.557 0.012 3.317 1.00 0.00 C ATOM 978 CE LYS A 60 -0.560 -0.134 2.310 1.00 0.00 C ATOM 979 NZ LYS A 60 -0.089 -0.100 0.907 1.00 0.00 N ATOM 0 H LYS A 60 -0.939 -2.669 3.980 1.00 0.00 H new ATOM 0 HA LYS A 60 0.527 -1.573 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.768 -0.682 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.605 0.110 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.418 1.499 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.832 0.607 5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.305 0.711 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.058 -0.946 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.081 -1.075 2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.285 0.666 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.894 0.085 0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.618 0.654 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.340 -1.015 0.663 1.00 0.00 H new ATOM 993 N PHE A 61 -2.233 -3.039 6.997 1.00 0.00 N ATOM 994 CA PHE A 61 -3.058 -3.496 8.129 1.00 0.00 C ATOM 995 C PHE A 61 -2.232 -3.961 9.333 1.00 0.00 C ATOM 996 O PHE A 61 -2.770 -4.114 10.432 1.00 0.00 O ATOM 997 CB PHE A 61 -4.014 -4.604 7.697 1.00 0.00 C ATOM 998 CG PHE A 61 -5.232 -4.092 7.004 1.00 0.00 C ATOM 999 CD1 PHE A 61 -5.420 -4.295 5.653 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -6.195 -3.396 7.713 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -6.553 -3.807 5.025 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -7.324 -2.909 7.091 1.00 0.00 C ATOM 1003 CZ PHE A 61 -7.502 -3.116 5.745 1.00 0.00 C ATOM 0 H PHE A 61 -2.442 -3.512 6.118 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.630 -2.625 8.451 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.488 -5.291 7.034 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.316 -5.177 8.574 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.680 -4.837 5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.059 -3.232 8.772 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.693 -3.969 3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.065 -2.367 7.659 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.385 -2.737 5.252 1.00 0.00 H new ATOM 1013 N LYS A 62 -0.936 -4.181 9.130 1.00 0.00 N ATOM 1014 CA LYS A 62 -0.039 -4.579 10.216 1.00 0.00 C ATOM 1015 C LYS A 62 -0.051 -3.531 11.332 1.00 0.00 C ATOM 1016 O LYS A 62 0.166 -3.848 12.497 1.00 0.00 O ATOM 1017 CB LYS A 62 1.387 -4.740 9.698 1.00 0.00 C ATOM 1018 CG LYS A 62 1.965 -3.458 9.142 1.00 0.00 C ATOM 1019 CD LYS A 62 3.447 -3.565 8.901 1.00 0.00 C ATOM 1020 CE LYS A 62 3.990 -2.268 8.347 1.00 0.00 C ATOM 1021 NZ LYS A 62 5.449 -2.328 8.123 1.00 0.00 N ATOM 0 H LYS A 62 -0.481 -4.091 8.222 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.391 -5.532 10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.023 -5.097 10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.401 -5.505 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.463 -3.210 8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.769 -2.641 9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.956 -3.810 9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.650 -4.378 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.488 -2.037 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.763 -1.456 9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.716 -1.642 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.946 -2.099 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.714 -3.286 7.816 1.00 0.00 H new ATOM 1035 N GLU A 63 -0.330 -2.280 10.962 1.00 0.00 N ATOM 1036 CA GLU A 63 -0.363 -1.178 11.915 1.00 0.00 C ATOM 1037 C GLU A 63 -1.679 -1.171 12.697 1.00 0.00 C ATOM 1038 O GLU A 63 -1.986 -0.212 13.410 1.00 0.00 O ATOM 1039 CB GLU A 63 -0.168 0.155 11.193 1.00 0.00 C ATOM 1040 CG GLU A 63 1.147 0.260 10.428 1.00 0.00 C ATOM 1041 CD GLU A 63 2.360 0.133 11.326 1.00 0.00 C ATOM 1042 OE1 GLU A 63 2.712 1.123 11.999 1.00 0.00 O ATOM 1043 OE2 GLU A 63 2.970 -0.956 11.365 1.00 0.00 O ATOM 0 H GLU A 63 -0.537 -2.007 10.001 1.00 0.00 H new ATOM 0 HA GLU A 63 0.454 -1.317 12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.994 0.304 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.217 0.963 11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.182 -0.518 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.184 1.217 9.908 1.00 0.00 H new ATOM 1050 N LYS A 64 -2.450 -2.251 12.539 1.00 0.00 N ATOM 1051 CA LYS A 64 -3.717 -2.456 13.244 1.00 0.00 C ATOM 1052 C LYS A 64 -4.808 -1.499 12.768 1.00 0.00 C ATOM 1053 O LYS A 64 -5.726 -1.162 13.521 1.00 0.00 O ATOM 1054 CB LYS A 64 -3.528 -2.362 14.767 1.00 0.00 C ATOM 1055 CG LYS A 64 -2.555 -3.393 15.339 1.00 0.00 C ATOM 1056 CD LYS A 64 -2.999 -4.817 15.031 1.00 0.00 C ATOM 1057 CE LYS A 64 -2.047 -5.844 15.634 1.00 0.00 C ATOM 1058 NZ LYS A 64 -2.076 -5.833 17.120 1.00 0.00 N ATOM 0 H LYS A 64 -2.208 -3.017 11.910 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.051 -3.465 13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.171 -1.363 15.017 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.497 -2.485 15.251 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.561 -3.224 14.925 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.478 -3.261 16.418 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.004 -4.978 15.422 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.050 -4.957 13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.313 -6.838 15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.032 -5.642 15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.563 -6.661 17.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.623 -4.964 17.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.062 -5.866 17.448 1.00 0.00 H new ATOM 1072 N PHE A 65 -4.719 -1.077 11.512 1.00 0.00 N ATOM 1073 CA PHE A 65 -5.752 -0.227 10.925 1.00 0.00 C ATOM 1074 C PHE A 65 -7.053 -1.006 10.840 1.00 0.00 C ATOM 1075 O PHE A 65 -7.071 -2.121 10.320 1.00 0.00 O ATOM 1076 CB PHE A 65 -5.347 0.254 9.528 1.00 0.00 C ATOM 1077 CG PHE A 65 -4.215 1.241 9.516 1.00 0.00 C ATOM 1078 CD1 PHE A 65 -3.038 0.955 8.846 1.00 0.00 C ATOM 1079 CD2 PHE A 65 -4.332 2.459 10.166 1.00 0.00 C ATOM 1080 CE1 PHE A 65 -2.000 1.866 8.825 1.00 0.00 C ATOM 1081 CE2 PHE A 65 -3.297 3.371 10.150 1.00 0.00 C ATOM 1082 CZ PHE A 65 -2.129 3.074 9.478 1.00 0.00 C ATOM 0 H PHE A 65 -3.949 -1.306 10.883 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.881 0.649 11.560 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.066 -0.611 8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.214 0.708 9.048 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.930 0.010 8.334 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.245 2.697 10.692 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.087 1.632 8.297 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.401 4.316 10.663 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.317 3.786 9.463 1.00 0.00 H new ATOM 1092 N GLU A 66 -8.133 -0.431 11.375 1.00 0.00 N ATOM 1093 CA GLU A 66 -9.448 -1.091 11.389 1.00 0.00 C ATOM 1094 C GLU A 66 -9.356 -2.452 12.087 1.00 0.00 C ATOM 1095 O GLU A 66 -10.119 -3.375 11.782 1.00 0.00 O ATOM 1096 CB GLU A 66 -9.988 -1.260 9.960 1.00 0.00 C ATOM 1097 CG GLU A 66 -10.092 0.042 9.177 1.00 0.00 C ATOM 1098 CD GLU A 66 -10.952 1.080 9.868 1.00 0.00 C ATOM 1099 OE1 GLU A 66 -10.405 1.888 10.646 1.00 0.00 O ATOM 1100 OE2 GLU A 66 -12.176 1.099 9.633 1.00 0.00 O ATOM 0 H GLU A 66 -8.126 0.493 11.806 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.141 -0.459 11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.339 -1.947 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.974 -1.723 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.092 0.449 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.505 -0.166 8.190 1.00 0.00 H new ATOM 1107 N ALA A 67 -8.404 -2.556 13.028 1.00 0.00 N ATOM 1108 CA ALA A 67 -8.146 -3.784 13.790 1.00 0.00 C ATOM 1109 C ALA A 67 -7.659 -4.917 12.885 1.00 0.00 C ATOM 1110 O ALA A 67 -7.626 -6.081 13.290 1.00 0.00 O ATOM 1111 CB ALA A 67 -9.382 -4.209 14.583 1.00 0.00 C ATOM 0 H ALA A 67 -7.788 -1.783 13.282 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.348 -3.566 14.500 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.162 -5.121 15.138 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.657 -3.417 15.280 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.209 -4.392 13.897 1.00 0.00 H new ATOM 1117 N GLY A 68 -7.267 -4.571 11.665 1.00 0.00 N ATOM 1118 CA GLY A 68 -6.786 -5.566 10.731 1.00 0.00 C ATOM 1119 C GLY A 68 -7.904 -6.157 9.896 1.00 0.00 C ATOM 1120 O GLY A 68 -7.685 -7.088 9.119 1.00 0.00 O ATOM 0 H GLY A 68 -7.274 -3.616 11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.043 -5.115 10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.284 -6.363 11.279 1.00 0.00 H new ATOM 1124 N GLN A 69 -9.104 -5.622 10.056 1.00 0.00 N ATOM 1125 CA GLN A 69 -10.254 -6.104 9.319 1.00 0.00 C ATOM 1126 C GLN A 69 -10.433 -5.325 8.024 1.00 0.00 C ATOM 1127 O GLN A 69 -10.816 -4.153 8.037 1.00 0.00 O ATOM 1128 CB GLN A 69 -11.530 -6.008 10.169 1.00 0.00 C ATOM 1129 CG GLN A 69 -12.793 -6.430 9.425 1.00 0.00 C ATOM 1130 CD GLN A 69 -14.059 -6.304 10.262 1.00 0.00 C ATOM 1131 OE1 GLN A 69 -14.072 -5.373 11.193 1.00 0.00 O flip ATOM 1132 NE2 GLN A 69 -15.020 -7.048 10.061 1.00 0.00 N flip ATOM 0 H GLN A 69 -9.304 -4.851 10.693 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.076 -7.151 9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.414 -6.633 11.055 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.649 -4.982 10.516 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.898 -5.821 8.527 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.684 -7.464 9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.971 -7.758 9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.864 -6.954 10.626 1.00 0.00 H new ATOM 1141 N PHE A 70 -10.138 -5.971 6.914 1.00 0.00 N ATOM 1142 CA PHE A 70 -10.312 -5.359 5.611 1.00 0.00 C ATOM 1143 C PHE A 70 -11.747 -5.538 5.138 1.00 0.00 C ATOM 1144 O PHE A 70 -12.537 -6.240 5.778 1.00 0.00 O ATOM 1145 CB PHE A 70 -9.324 -5.950 4.588 1.00 0.00 C ATOM 1146 CG PHE A 70 -9.446 -7.437 4.384 1.00 0.00 C ATOM 1147 CD1 PHE A 70 -10.217 -7.947 3.352 1.00 0.00 C ATOM 1148 CD2 PHE A 70 -8.785 -8.321 5.221 1.00 0.00 C ATOM 1149 CE1 PHE A 70 -10.326 -9.308 3.160 1.00 0.00 C ATOM 1150 CE2 PHE A 70 -8.891 -9.684 5.033 1.00 0.00 C ATOM 1151 CZ PHE A 70 -9.662 -10.177 4.001 1.00 0.00 C ATOM 0 H PHE A 70 -9.775 -6.924 6.888 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.102 -4.293 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.472 -5.452 3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.308 -5.723 4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -10.738 -7.271 2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.180 -7.939 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.930 -9.693 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.371 -10.363 5.693 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.746 -11.243 3.851 1.00 0.00 H new ATOM 1161 N GLU A 71 -12.079 -4.923 4.030 1.00 0.00 N ATOM 1162 CA GLU A 71 -13.426 -4.998 3.501 1.00 0.00 C ATOM 1163 C GLU A 71 -13.407 -5.487 2.064 1.00 0.00 C ATOM 1164 O GLU A 71 -12.444 -5.238 1.334 1.00 0.00 O ATOM 1165 CB GLU A 71 -14.099 -3.622 3.576 1.00 0.00 C ATOM 1166 CG GLU A 71 -13.363 -2.536 2.804 1.00 0.00 C ATOM 1167 CD GLU A 71 -14.037 -1.192 2.902 1.00 0.00 C ATOM 1168 OE1 GLU A 71 -13.856 -0.510 3.926 1.00 0.00 O ATOM 1169 OE2 GLU A 71 -14.742 -0.800 1.946 1.00 0.00 O ATOM 0 H GLU A 71 -11.435 -4.362 3.472 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.995 -5.707 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.115 -3.703 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.177 -3.322 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.344 -2.455 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.292 -2.826 1.756 1.00 0.00 H new ATOM 1176 N PRO A 72 -14.451 -6.218 1.641 1.00 0.00 N ATOM 1177 CA PRO A 72 -14.576 -6.664 0.260 1.00 0.00 C ATOM 1178 C PRO A 72 -14.652 -5.466 -0.674 1.00 0.00 C ATOM 1179 O PRO A 72 -15.315 -4.466 -0.365 1.00 0.00 O ATOM 1180 CB PRO A 72 -15.891 -7.458 0.237 1.00 0.00 C ATOM 1181 CG PRO A 72 -16.621 -7.044 1.469 1.00 0.00 C ATOM 1182 CD PRO A 72 -15.572 -6.679 2.476 1.00 0.00 C ATOM 0 HA PRO A 72 -13.727 -7.262 -0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.471 -7.233 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.702 -8.532 0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.277 -6.197 1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.250 -7.854 1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.918 -5.898 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.291 -7.533 3.092 1.00 0.00 H new ATOM 1190 N SER A 73 -13.980 -5.551 -1.798 1.00 0.00 N ATOM 1191 CA SER A 73 -13.919 -4.429 -2.700 1.00 0.00 C ATOM 1192 C SER A 73 -13.853 -4.875 -4.153 1.00 0.00 C ATOM 1193 O SER A 73 -13.413 -5.984 -4.459 1.00 0.00 O ATOM 1194 CB SER A 73 -12.697 -3.565 -2.353 1.00 0.00 C ATOM 1195 OG SER A 73 -12.585 -2.447 -3.220 1.00 0.00 O ATOM 0 H SER A 73 -13.472 -6.380 -2.107 1.00 0.00 H new ATOM 0 HA SER A 73 -14.832 -3.845 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.775 -3.220 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.792 -4.170 -2.419 1.00 0.00 H new ATOM 0 HG SER A 73 -13.307 -1.812 -3.030 1.00 0.00 H new ATOM 1201 N GLU A 74 -14.299 -4.002 -5.032 1.00 0.00 N ATOM 1202 CA GLU A 74 -14.243 -4.221 -6.460 1.00 0.00 C ATOM 1203 C GLU A 74 -13.341 -3.171 -7.100 1.00 0.00 C ATOM 1204 O GLU A 74 -12.794 -2.311 -6.400 1.00 0.00 O ATOM 1205 CB GLU A 74 -15.656 -4.190 -7.082 1.00 0.00 C ATOM 1206 CG GLU A 74 -16.713 -3.446 -6.257 1.00 0.00 C ATOM 1207 CD GLU A 74 -16.406 -1.977 -6.053 1.00 0.00 C ATOM 1208 OE1 GLU A 74 -16.783 -1.159 -6.912 1.00 0.00 O ATOM 1209 OE2 GLU A 74 -15.803 -1.629 -5.013 1.00 0.00 O ATOM 0 H GLU A 74 -14.716 -3.109 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.826 -5.210 -6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -15.593 -3.726 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.992 -5.216 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.680 -3.540 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.805 -3.927 -5.283 1.00 0.00 H new ATOM 1216 N THR A 75 -13.172 -3.242 -8.405 1.00 0.00 N ATOM 1217 CA THR A 75 -12.329 -2.285 -9.099 1.00 0.00 C ATOM 1218 C THR A 75 -13.126 -1.025 -9.437 1.00 0.00 C ATOM 1219 O THR A 75 -14.335 -0.953 -9.175 1.00 0.00 O ATOM 1220 CB THR A 75 -11.714 -2.895 -10.398 1.00 0.00 C ATOM 1221 OG1 THR A 75 -10.633 -2.075 -10.864 1.00 0.00 O ATOM 1222 CG2 THR A 75 -12.756 -3.025 -11.507 1.00 0.00 C ATOM 0 H THR A 75 -13.603 -3.946 -9.004 1.00 0.00 H new ATOM 0 HA THR A 75 -11.508 -2.023 -8.432 1.00 0.00 H new ATOM 0 HB THR A 75 -11.348 -3.891 -10.149 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.903 -2.646 -11.183 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.291 -3.453 -12.395 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.565 -3.675 -11.172 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.157 -2.040 -11.747 1.00 0.00 H new ATOM 1230 N THR A 76 -12.454 -0.036 -10.000 1.00 0.00 N ATOM 1231 CA THR A 76 -13.098 1.200 -10.401 1.00 0.00 C ATOM 1232 C THR A 76 -14.044 0.939 -11.589 1.00 0.00 C ATOM 1233 O THR A 76 -14.153 -0.194 -12.068 1.00 0.00 O ATOM 1234 CB THR A 76 -12.037 2.279 -10.776 1.00 0.00 C ATOM 1235 OG1 THR A 76 -12.673 3.515 -11.135 1.00 0.00 O ATOM 1236 CG2 THR A 76 -11.164 1.806 -11.929 1.00 0.00 C ATOM 0 H THR A 76 -11.452 -0.067 -10.191 1.00 0.00 H new ATOM 0 HA THR A 76 -13.682 1.577 -9.561 1.00 0.00 H new ATOM 0 HB THR A 76 -11.409 2.441 -9.900 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.990 4.179 -11.365 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.432 2.577 -12.171 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.646 0.891 -11.642 1.00 0.00 H new ATOM 0 HG23 THR A 76 -11.788 1.611 -12.801 1.00 0.00 H new ATOM 1244 N ALA A 77 -14.715 1.976 -12.064 1.00 0.00 N ATOM 1245 CA ALA A 77 -15.643 1.839 -13.180 1.00 0.00 C ATOM 1246 C ALA A 77 -14.920 1.348 -14.432 1.00 0.00 C ATOM 1247 O ALA A 77 -15.527 0.734 -15.312 1.00 0.00 O ATOM 1248 CB ALA A 77 -16.349 3.157 -13.443 1.00 0.00 C ATOM 0 H ALA A 77 -14.636 2.924 -11.695 1.00 0.00 H new ATOM 0 HA ALA A 77 -16.393 1.094 -12.915 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -17.039 3.040 -14.279 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -16.904 3.456 -12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -15.612 3.923 -13.685 1.00 0.00 H new ATOM 1254 N LYS A 78 -13.611 1.629 -14.495 1.00 0.00 N ATOM 1255 CA LYS A 78 -12.752 1.187 -15.600 1.00 0.00 C ATOM 1256 C LYS A 78 -13.148 1.840 -16.920 1.00 0.00 C ATOM 1257 O LYS A 78 -12.836 1.334 -18.000 1.00 0.00 O ATOM 1258 CB LYS A 78 -12.756 -0.350 -15.711 1.00 0.00 C ATOM 1259 CG LYS A 78 -11.931 -1.046 -14.640 1.00 0.00 C ATOM 1260 CD LYS A 78 -10.454 -0.708 -14.781 1.00 0.00 C ATOM 1261 CE LYS A 78 -9.608 -1.479 -13.787 1.00 0.00 C ATOM 1262 NZ LYS A 78 -8.166 -1.166 -13.931 1.00 0.00 N ATOM 0 H LYS A 78 -13.120 2.168 -13.782 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.734 1.509 -15.378 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.784 -0.706 -15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.375 -0.635 -16.692 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.283 -0.746 -13.653 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.069 -2.125 -14.714 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.123 -0.935 -15.794 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.309 0.362 -14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.932 -1.242 -12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.764 -2.548 -13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.621 -1.713 -13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.851 -1.415 -14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.014 -0.150 -13.770 1.00 0.00 H new ATOM 1276 N SER A 79 -13.810 2.973 -16.817 1.00 0.00 N ATOM 1277 CA SER A 79 -14.220 3.730 -17.967 1.00 0.00 C ATOM 1278 C SER A 79 -13.614 5.133 -17.906 1.00 0.00 C ATOM 1279 O SER A 79 -14.230 6.026 -17.285 1.00 0.00 O ATOM 1280 CB SER A 79 -15.755 3.786 -18.042 1.00 0.00 C ATOM 1281 OG SER A 79 -16.323 4.107 -16.774 1.00 0.00 O ATOM 1282 OXT SER A 79 -12.501 5.325 -18.436 1.00 0.00 O ATOM 0 H SER A 79 -14.077 3.392 -15.926 1.00 0.00 H new ATOM 0 HA SER A 79 -13.858 3.242 -18.872 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.059 4.530 -18.778 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.140 2.825 -18.383 1.00 0.00 H new ATOM 0 HG SER A 79 -15.865 4.888 -16.398 1.00 0.00 H new TER 1288 SER A 79