USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 20 TYR OH : rot 150:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -3.68! C(o=-3.7!,f=-3.9!) USER MOD Single : A 5 ASN : amide:sc= -0.89 X(o=-0.89,f=-0.44!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -144:sc= -0.0075 (180deg=-1.49!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc=-0.00837 K(o=-0.0084,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -140:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -41:sc= 0.833 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -3.33! C(o=-3.3!,f=-6.8!) USER MOD Single : A 63 SER OG : rot 120:sc= -0.951 USER MOD Single : A 67 SER OG : rot -170:sc= 0.0615 USER MOD Single : A 70 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.87) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.0511 (180deg=-0.514) USER MOD Single : A 76 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.012) USER MOD Single : A 83 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.95) USER MOD Single : A 87 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.9!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -156:sc= 0.393 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.02! C(o=-1!,f=-6.5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -0.668 -25.767 -3.355 1.00 0.00 N ATOM 2 CA ALA A 2 0.669 -25.758 -4.012 1.00 0.00 C ATOM 3 C ALA A 2 1.208 -24.333 -4.039 1.00 0.00 C ATOM 4 O ALA A 2 1.223 -23.685 -5.087 1.00 0.00 O ATOM 5 CB ALA A 2 0.539 -26.294 -5.439 1.00 0.00 C ATOM 0 HA ALA A 2 1.358 -26.392 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.517 -26.288 -5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.155 -27.314 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.147 -25.663 -6.004 1.00 0.00 H new ATOM 13 N LEU A 3 1.649 -23.851 -2.882 1.00 0.00 N ATOM 14 CA LEU A 3 2.190 -22.501 -2.784 1.00 0.00 C ATOM 15 C LEU A 3 1.154 -21.481 -3.242 1.00 0.00 C ATOM 16 O LEU A 3 0.120 -21.839 -3.811 1.00 0.00 O ATOM 17 CB LEU A 3 3.448 -22.380 -3.647 1.00 0.00 C ATOM 18 CG LEU A 3 4.422 -23.513 -3.300 1.00 0.00 C ATOM 19 CD1 LEU A 3 5.647 -23.429 -4.216 1.00 0.00 C ATOM 20 CD2 LEU A 3 4.864 -23.396 -1.831 1.00 0.00 C ATOM 0 H LEU A 3 1.643 -24.371 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 3 2.446 -22.302 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.182 -22.426 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.924 -21.414 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 3 3.924 -24.472 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.340 -24.233 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.332 -23.526 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.142 -22.468 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.555 -24.205 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.359 -22.438 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.991 -23.463 -1.182 1.00 0.00 H new ATOM 32 N GLN A 4 1.440 -20.209 -2.991 1.00 0.00 N ATOM 33 CA GLN A 4 0.535 -19.135 -3.382 1.00 0.00 C ATOM 34 C GLN A 4 0.452 -19.035 -4.902 1.00 0.00 C ATOM 35 O GLN A 4 -0.613 -18.770 -5.459 1.00 0.00 O ATOM 36 CB GLN A 4 1.015 -17.797 -2.799 1.00 0.00 C ATOM 37 CG GLN A 4 2.545 -17.691 -2.909 1.00 0.00 C ATOM 38 CD GLN A 4 3.213 -18.396 -1.730 1.00 0.00 C ATOM 39 OE1 GLN A 4 2.815 -18.199 -0.583 1.00 0.00 O ATOM 40 NE2 GLN A 4 4.209 -19.211 -1.946 1.00 0.00 N ATOM 0 H GLN A 4 2.289 -19.897 -2.520 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.456 -19.360 -2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.546 -16.970 -3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.711 -17.716 -1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.881 -18.137 -3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.843 -16.643 -2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.538 -19.373 -2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.659 -19.686 -1.163 1.00 0.00 H new ATOM 49 N ASN A 5 1.586 -19.244 -5.566 1.00 0.00 N ATOM 50 CA ASN A 5 1.630 -19.169 -7.022 1.00 0.00 C ATOM 51 C ASN A 5 1.187 -17.792 -7.505 1.00 0.00 C ATOM 52 O ASN A 5 0.246 -17.671 -8.288 1.00 0.00 O ATOM 53 CB ASN A 5 0.724 -20.242 -7.626 1.00 0.00 C ATOM 54 CG ASN A 5 0.975 -20.349 -9.126 1.00 0.00 C ATOM 55 OD1 ASN A 5 0.408 -19.585 -9.908 1.00 0.00 O ATOM 56 ND2 ASN A 5 1.797 -21.258 -9.576 1.00 0.00 N ATOM 0 H ASN A 5 2.478 -19.464 -5.123 1.00 0.00 H new ATOM 0 HA ASN A 5 2.658 -19.337 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.914 -21.203 -7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.321 -19.995 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.971 -21.337 -10.578 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.265 -21.889 -8.926 1.00 0.00 H new ATOM 63 N LYS A 6 1.867 -16.754 -7.029 1.00 0.00 N ATOM 64 CA LYS A 6 1.531 -15.389 -7.417 1.00 0.00 C ATOM 65 C LYS A 6 1.558 -15.244 -8.935 1.00 0.00 C ATOM 66 O LYS A 6 1.131 -14.224 -9.478 1.00 0.00 O ATOM 67 CB LYS A 6 2.528 -14.407 -6.797 1.00 0.00 C ATOM 68 CG LYS A 6 2.343 -14.380 -5.280 1.00 0.00 C ATOM 69 CD LYS A 6 3.341 -13.400 -4.660 1.00 0.00 C ATOM 70 CE LYS A 6 3.138 -13.354 -3.145 1.00 0.00 C ATOM 71 NZ LYS A 6 4.125 -12.416 -2.539 1.00 0.00 N ATOM 0 H LYS A 6 2.649 -16.831 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 6 0.527 -15.167 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.547 -14.703 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.377 -13.410 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.324 -14.082 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.493 -15.378 -4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.361 -13.708 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.203 -12.406 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.123 -13.031 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.260 -14.351 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.987 -12.385 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.089 -12.743 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.988 -11.464 -2.936 1.00 0.00 H new ATOM 85 N GLU A 7 2.061 -16.269 -9.615 1.00 0.00 N ATOM 86 CA GLU A 7 2.139 -16.239 -11.070 1.00 0.00 C ATOM 87 C GLU A 7 0.751 -16.015 -11.668 1.00 0.00 C ATOM 88 O GLU A 7 0.618 -15.548 -12.799 1.00 0.00 O ATOM 89 CB GLU A 7 2.716 -17.562 -11.588 1.00 0.00 C ATOM 90 CG GLU A 7 3.058 -17.432 -13.074 1.00 0.00 C ATOM 91 CD GLU A 7 4.247 -16.493 -13.252 1.00 0.00 C ATOM 92 OE1 GLU A 7 4.862 -16.155 -12.254 1.00 0.00 O ATOM 93 OE2 GLU A 7 4.530 -16.135 -14.382 1.00 0.00 O ATOM 0 H GLU A 7 2.418 -17.123 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 7 2.791 -15.419 -11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.609 -17.826 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.995 -18.366 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.292 -18.412 -13.490 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.197 -17.051 -13.622 1.00 0.00 H new ATOM 100 N GLU A 8 -0.282 -16.350 -10.903 1.00 0.00 N ATOM 101 CA GLU A 8 -1.649 -16.179 -11.378 1.00 0.00 C ATOM 102 C GLU A 8 -1.923 -14.715 -11.708 1.00 0.00 C ATOM 103 O GLU A 8 -2.398 -14.394 -12.799 1.00 0.00 O ATOM 104 CB GLU A 8 -2.632 -16.653 -10.306 1.00 0.00 C ATOM 105 CG GLU A 8 -4.063 -16.576 -10.847 1.00 0.00 C ATOM 106 CD GLU A 8 -5.044 -17.101 -9.803 1.00 0.00 C ATOM 107 OE1 GLU A 8 -4.631 -17.286 -8.671 1.00 0.00 O ATOM 108 OE2 GLU A 8 -6.193 -17.312 -10.154 1.00 0.00 O ATOM 0 H GLU A 8 -0.201 -16.737 -9.963 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.778 -16.773 -12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.399 -17.676 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.537 -16.035 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.309 -15.545 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.146 -17.161 -11.763 1.00 0.00 H new ATOM 115 N GLU A 9 -1.625 -13.830 -10.762 1.00 0.00 N ATOM 116 CA GLU A 9 -1.845 -12.404 -10.968 1.00 0.00 C ATOM 117 C GLU A 9 -0.832 -11.840 -11.958 1.00 0.00 C ATOM 118 O GLU A 9 -1.199 -11.183 -12.933 1.00 0.00 O ATOM 119 CB GLU A 9 -1.723 -11.664 -9.635 1.00 0.00 C ATOM 120 CG GLU A 9 -2.825 -12.135 -8.684 1.00 0.00 C ATOM 121 CD GLU A 9 -4.190 -11.696 -9.205 1.00 0.00 C ATOM 122 OE1 GLU A 9 -4.227 -10.786 -10.017 1.00 0.00 O ATOM 123 OE2 GLU A 9 -5.178 -12.273 -8.781 1.00 0.00 O ATOM 0 H GLU A 9 -1.233 -14.073 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.847 -12.265 -11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.744 -11.849 -9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.802 -10.589 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.795 -13.220 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.657 -11.724 -7.689 1.00 0.00 H new ATOM 130 N LYS A 10 0.446 -12.098 -11.697 1.00 0.00 N ATOM 131 CA LYS A 10 1.509 -11.612 -12.570 1.00 0.00 C ATOM 132 C LYS A 10 1.284 -10.143 -12.919 1.00 0.00 C ATOM 133 O LYS A 10 1.192 -9.784 -14.091 1.00 0.00 O ATOM 134 CB LYS A 10 1.559 -12.446 -13.855 1.00 0.00 C ATOM 135 CG LYS A 10 2.925 -12.285 -14.527 1.00 0.00 C ATOM 136 CD LYS A 10 3.007 -13.204 -15.745 1.00 0.00 C ATOM 137 CE LYS A 10 4.381 -13.055 -16.400 1.00 0.00 C ATOM 138 NZ LYS A 10 4.466 -13.954 -17.584 1.00 0.00 N ATOM 0 H LYS A 10 0.769 -12.637 -10.894 1.00 0.00 H new ATOM 0 HA LYS A 10 2.458 -11.708 -12.043 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.379 -13.496 -13.625 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.769 -12.129 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.073 -11.248 -14.830 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.720 -12.527 -13.821 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.845 -14.239 -15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.222 -12.952 -16.458 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.541 -12.020 -16.703 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.166 -13.302 -15.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.400 -13.853 -18.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.331 -14.940 -17.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.726 -13.698 -18.268 1.00 0.00 H new ATOM 152 N LYS A 11 1.192 -9.302 -11.897 1.00 0.00 N ATOM 153 CA LYS A 11 0.973 -7.880 -12.118 1.00 0.00 C ATOM 154 C LYS A 11 2.139 -7.267 -12.886 1.00 0.00 C ATOM 155 O LYS A 11 1.938 -6.482 -13.813 1.00 0.00 O ATOM 156 CB LYS A 11 0.820 -7.164 -10.777 1.00 0.00 C ATOM 157 CG LYS A 11 -0.482 -7.607 -10.109 1.00 0.00 C ATOM 158 CD LYS A 11 -0.705 -6.804 -8.822 1.00 0.00 C ATOM 159 CE LYS A 11 0.334 -7.197 -7.763 1.00 0.00 C ATOM 160 NZ LYS A 11 -0.143 -6.763 -6.419 1.00 0.00 N ATOM 0 H LYS A 11 1.265 -9.576 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 11 0.063 -7.761 -12.705 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.668 -7.392 -10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.815 -6.084 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.320 -7.459 -10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.441 -8.672 -9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.633 -5.737 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.710 -6.986 -8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.492 -8.275 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.294 -6.732 -7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.559 -7.028 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.272 -5.731 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.049 -7.227 -6.206 1.00 0.00 H new ATOM 174 N LYS A 12 3.359 -7.630 -12.497 1.00 0.00 N ATOM 175 CA LYS A 12 4.557 -7.111 -13.157 1.00 0.00 C ATOM 176 C LYS A 12 5.611 -8.203 -13.286 1.00 0.00 C ATOM 177 O LYS A 12 5.749 -9.054 -12.406 1.00 0.00 O ATOM 178 CB LYS A 12 5.125 -5.937 -12.358 1.00 0.00 C ATOM 179 CG LYS A 12 4.129 -4.775 -12.390 1.00 0.00 C ATOM 180 CD LYS A 12 4.703 -3.588 -11.617 1.00 0.00 C ATOM 181 CE LYS A 12 3.720 -2.419 -11.667 1.00 0.00 C ATOM 182 NZ LYS A 12 4.309 -1.249 -10.956 1.00 0.00 N ATOM 0 H LYS A 12 3.545 -8.278 -11.732 1.00 0.00 H new ATOM 0 HA LYS A 12 4.283 -6.770 -14.155 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.314 -6.241 -11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.080 -5.624 -12.779 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.924 -4.486 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.180 -5.084 -11.951 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.893 -3.873 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.660 -3.290 -12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.501 -2.157 -12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.775 -2.703 -11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.557 -0.731 -10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.016 -1.580 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.766 -0.618 -11.645 1.00 0.00 H new ATOM 196 N VAL A 13 6.350 -8.182 -14.392 1.00 0.00 N ATOM 197 CA VAL A 13 7.378 -9.188 -14.621 1.00 0.00 C ATOM 198 C VAL A 13 8.468 -9.095 -13.561 1.00 0.00 C ATOM 199 O VAL A 13 8.811 -10.095 -12.932 1.00 0.00 O ATOM 200 CB VAL A 13 8.001 -8.984 -16.003 1.00 0.00 C ATOM 201 CG1 VAL A 13 9.145 -9.980 -16.206 1.00 0.00 C ATOM 202 CG2 VAL A 13 6.933 -9.203 -17.077 1.00 0.00 C ATOM 0 H VAL A 13 6.257 -7.488 -15.134 1.00 0.00 H new ATOM 0 HA VAL A 13 6.914 -10.173 -14.565 1.00 0.00 H new ATOM 0 HB VAL A 13 8.392 -7.969 -16.079 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.586 -9.831 -17.192 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.905 -9.822 -15.441 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.760 -10.997 -16.130 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.374 -9.058 -18.063 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.542 -10.217 -17.000 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.122 -8.489 -16.934 1.00 0.00 H new ATOM 212 N LYS A 14 8.996 -7.887 -13.361 1.00 0.00 N ATOM 213 CA LYS A 14 10.047 -7.672 -12.369 1.00 0.00 C ATOM 214 C LYS A 14 10.435 -6.197 -12.307 1.00 0.00 C ATOM 215 O LYS A 14 11.525 -5.815 -12.729 1.00 0.00 O ATOM 216 CB LYS A 14 11.288 -8.493 -12.730 1.00 0.00 C ATOM 217 CG LYS A 14 12.278 -8.463 -11.566 1.00 0.00 C ATOM 218 CD LYS A 14 13.415 -9.456 -11.836 1.00 0.00 C ATOM 219 CE LYS A 14 14.262 -8.979 -13.021 1.00 0.00 C ATOM 220 NZ LYS A 14 15.564 -9.703 -13.019 1.00 0.00 N ATOM 0 H LYS A 14 8.715 -7.049 -13.869 1.00 0.00 H new ATOM 0 HA LYS A 14 9.663 -7.986 -11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.004 -9.521 -12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.755 -8.089 -13.628 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.681 -7.458 -11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.770 -8.719 -10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.040 -9.555 -10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.004 -10.443 -12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.733 -9.160 -13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.430 -7.904 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.141 -9.381 -13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.068 -9.508 -12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.393 -10.725 -13.103 1.00 0.00 H new ATOM 234 N LYS A 15 9.535 -5.370 -11.777 1.00 0.00 N ATOM 235 CA LYS A 15 9.788 -3.934 -11.661 1.00 0.00 C ATOM 236 C LYS A 15 9.433 -3.446 -10.262 1.00 0.00 C ATOM 237 O LYS A 15 8.431 -3.862 -9.679 1.00 0.00 O ATOM 238 CB LYS A 15 8.944 -3.180 -12.693 1.00 0.00 C ATOM 239 CG LYS A 15 9.321 -3.626 -14.114 1.00 0.00 C ATOM 240 CD LYS A 15 10.715 -3.110 -14.491 1.00 0.00 C ATOM 241 CE LYS A 15 10.911 -3.223 -16.003 1.00 0.00 C ATOM 242 NZ LYS A 15 12.225 -2.626 -16.365 1.00 0.00 N ATOM 0 H LYS A 15 8.626 -5.668 -11.422 1.00 0.00 H new ATOM 0 HA LYS A 15 10.846 -3.747 -11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.885 -3.367 -12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.101 -2.106 -12.587 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.301 -4.714 -14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.585 -3.252 -14.825 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.828 -2.073 -14.176 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.480 -3.686 -13.971 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.874 -4.268 -16.311 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.106 -2.708 -16.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.368 -2.698 -17.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.241 -1.625 -16.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.986 -3.137 -15.873 1.00 0.00 H new ATOM 256 N LEU A 16 10.267 -2.558 -9.732 1.00 0.00 N ATOM 257 CA LEU A 16 10.043 -2.013 -8.401 1.00 0.00 C ATOM 258 C LEU A 16 10.021 -3.129 -7.368 1.00 0.00 C ATOM 259 O LEU A 16 10.319 -4.282 -7.682 1.00 0.00 O ATOM 260 CB LEU A 16 8.722 -1.248 -8.372 1.00 0.00 C ATOM 261 CG LEU A 16 8.594 -0.384 -9.634 1.00 0.00 C ATOM 262 CD1 LEU A 16 7.421 0.583 -9.466 1.00 0.00 C ATOM 263 CD2 LEU A 16 9.886 0.412 -9.864 1.00 0.00 C ATOM 0 H LEU A 16 11.100 -2.203 -10.202 1.00 0.00 H new ATOM 0 HA LEU A 16 10.858 -1.331 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.888 -1.947 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.675 -0.619 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 16 8.420 -1.030 -10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.326 1.199 -10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.502 0.017 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.598 1.223 -8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.783 1.021 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.073 1.058 -9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.721 -0.278 -9.987 1.00 0.00 H new ATOM 275 N GLN A 17 9.667 -2.786 -6.130 1.00 0.00 N ATOM 276 CA GLN A 17 9.610 -3.769 -5.055 1.00 0.00 C ATOM 277 C GLN A 17 8.324 -3.606 -4.256 1.00 0.00 C ATOM 278 O GLN A 17 8.143 -2.615 -3.546 1.00 0.00 O ATOM 279 CB GLN A 17 10.812 -3.590 -4.128 1.00 0.00 C ATOM 280 CG GLN A 17 10.792 -4.676 -3.054 1.00 0.00 C ATOM 281 CD GLN A 17 12.054 -4.594 -2.205 1.00 0.00 C ATOM 282 OE1 GLN A 17 13.012 -3.917 -2.577 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.117 -5.256 -1.082 1.00 0.00 N ATOM 0 H GLN A 17 9.417 -1.838 -5.850 1.00 0.00 H new ATOM 0 HA GLN A 17 9.631 -4.767 -5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.738 -3.646 -4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.784 -2.604 -3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.911 -4.558 -2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.721 -5.659 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.322 -5.817 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.961 -5.213 -0.511 1.00 0.00 H new ATOM 292 N LYS A 18 7.438 -4.588 -4.372 1.00 0.00 N ATOM 293 CA LYS A 18 6.171 -4.555 -3.651 1.00 0.00 C ATOM 294 C LYS A 18 6.360 -5.081 -2.234 1.00 0.00 C ATOM 295 O LYS A 18 7.063 -6.067 -2.017 1.00 0.00 O ATOM 296 CB LYS A 18 5.130 -5.406 -4.387 1.00 0.00 C ATOM 297 CG LYS A 18 5.598 -6.864 -4.441 1.00 0.00 C ATOM 298 CD LYS A 18 4.605 -7.687 -5.260 1.00 0.00 C ATOM 299 CE LYS A 18 5.079 -9.140 -5.317 1.00 0.00 C ATOM 300 NZ LYS A 18 4.110 -9.946 -6.110 1.00 0.00 N ATOM 0 H LYS A 18 7.572 -5.414 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 18 5.821 -3.524 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.168 -5.342 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.982 -5.024 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.591 -6.922 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.678 -7.269 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.613 -7.633 -4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.521 -7.280 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.069 -9.193 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.167 -9.545 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.431 -10.934 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.173 -9.904 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.048 -9.563 -7.075 1.00 0.00 H new ATOM 314 N SER A 19 5.731 -4.417 -1.270 1.00 0.00 N ATOM 315 CA SER A 19 5.832 -4.825 0.132 1.00 0.00 C ATOM 316 C SER A 19 4.452 -4.824 0.778 1.00 0.00 C ATOM 317 O SER A 19 3.578 -4.045 0.396 1.00 0.00 O ATOM 318 CB SER A 19 6.754 -3.869 0.887 1.00 0.00 C ATOM 319 OG SER A 19 8.087 -4.048 0.429 1.00 0.00 O ATOM 0 H SER A 19 5.147 -3.596 -1.430 1.00 0.00 H new ATOM 0 HA SER A 19 6.245 -5.833 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.437 -2.838 0.729 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.696 -4.059 1.959 1.00 0.00 H new ATOM 0 HG SER A 19 8.703 -4.002 1.190 1.00 0.00 H new ATOM 325 N TYR A 20 4.261 -5.702 1.759 1.00 0.00 N ATOM 326 CA TYR A 20 2.982 -5.804 2.461 1.00 0.00 C ATOM 327 C TYR A 20 3.115 -5.241 3.868 1.00 0.00 C ATOM 328 O TYR A 20 4.074 -5.544 4.581 1.00 0.00 O ATOM 329 CB TYR A 20 2.545 -7.268 2.537 1.00 0.00 C ATOM 330 CG TYR A 20 2.419 -7.830 1.138 1.00 0.00 C ATOM 331 CD1 TYR A 20 1.487 -7.289 0.243 1.00 0.00 C ATOM 332 CD2 TYR A 20 3.237 -8.895 0.732 1.00 0.00 C ATOM 333 CE1 TYR A 20 1.372 -7.807 -1.052 1.00 0.00 C ATOM 334 CE2 TYR A 20 3.120 -9.414 -0.563 1.00 0.00 C ATOM 335 CZ TYR A 20 2.189 -8.870 -1.455 1.00 0.00 C ATOM 336 OH TYR A 20 2.075 -9.381 -2.730 1.00 0.00 O ATOM 0 H TYR A 20 4.974 -6.353 2.087 1.00 0.00 H new ATOM 0 HA TYR A 20 2.233 -5.231 1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.271 -7.846 3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.592 -7.347 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.855 -6.470 0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.957 -9.315 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.653 -7.387 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.749 -10.235 -0.874 1.00 0.00 H new ATOM 0 HH TYR A 20 2.943 -9.732 -3.021 1.00 0.00 H new ATOM 346 N PHE A 21 2.148 -4.416 4.261 1.00 0.00 N ATOM 347 CA PHE A 21 2.153 -3.800 5.589 1.00 0.00 C ATOM 348 C PHE A 21 0.905 -4.211 6.362 1.00 0.00 C ATOM 349 O PHE A 21 -0.200 -4.208 5.820 1.00 0.00 O ATOM 350 CB PHE A 21 2.181 -2.277 5.449 1.00 0.00 C ATOM 351 CG PHE A 21 3.366 -1.872 4.602 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.340 -2.097 3.221 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.490 -1.278 5.193 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.435 -1.729 2.430 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.584 -0.910 4.401 1.00 0.00 C ATOM 356 CZ PHE A 21 5.556 -1.135 3.020 1.00 0.00 C ATOM 0 H PHE A 21 1.350 -4.157 3.680 1.00 0.00 H new ATOM 0 HA PHE A 21 3.038 -4.136 6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.256 -1.926 4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.247 -1.812 6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.475 -2.555 2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.512 -1.104 6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.414 -1.904 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.450 -0.452 4.856 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.400 -0.850 2.409 1.00 0.00 H new ATOM 366 N ASP A 22 1.088 -4.563 7.631 1.00 0.00 N ATOM 367 CA ASP A 22 -0.028 -4.975 8.480 1.00 0.00 C ATOM 368 C ASP A 22 -0.486 -3.809 9.345 1.00 0.00 C ATOM 369 O ASP A 22 0.205 -3.411 10.282 1.00 0.00 O ATOM 370 CB ASP A 22 0.410 -6.135 9.376 1.00 0.00 C ATOM 371 CG ASP A 22 0.573 -7.402 8.543 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.062 -7.428 7.436 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.206 -8.328 9.026 1.00 0.00 O ATOM 0 H ASP A 22 1.996 -4.572 8.095 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.856 -5.295 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.351 -5.890 9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.328 -6.298 10.161 1.00 0.00 H new ATOM 378 N VAL A 23 -1.656 -3.260 9.022 1.00 0.00 N ATOM 379 CA VAL A 23 -2.198 -2.130 9.775 1.00 0.00 C ATOM 380 C VAL A 23 -3.207 -2.612 10.810 1.00 0.00 C ATOM 381 O VAL A 23 -4.392 -2.769 10.512 1.00 0.00 O ATOM 382 CB VAL A 23 -2.880 -1.152 8.821 1.00 0.00 C ATOM 383 CG1 VAL A 23 -3.174 0.151 9.559 1.00 0.00 C ATOM 384 CG2 VAL A 23 -1.953 -0.867 7.639 1.00 0.00 C ATOM 0 H VAL A 23 -2.243 -3.576 8.250 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.376 -1.630 10.288 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.812 -1.585 8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.661 0.852 8.881 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.831 -0.050 10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.241 0.584 9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.438 -0.169 6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.023 -0.431 8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.737 -1.797 7.114 1.00 0.00 H new ATOM 394 N LEU A 24 -2.730 -2.844 12.026 1.00 0.00 N ATOM 395 CA LEU A 24 -3.596 -3.309 13.103 1.00 0.00 C ATOM 396 C LEU A 24 -4.510 -2.187 13.581 1.00 0.00 C ATOM 397 O LEU A 24 -5.666 -2.415 13.935 1.00 0.00 O ATOM 398 CB LEU A 24 -2.743 -3.832 14.265 1.00 0.00 C ATOM 399 CG LEU A 24 -2.263 -5.264 13.957 1.00 0.00 C ATOM 400 CD1 LEU A 24 -3.441 -6.269 13.994 1.00 0.00 C ATOM 401 CD2 LEU A 24 -1.600 -5.281 12.568 1.00 0.00 C ATOM 0 H LEU A 24 -1.753 -2.719 12.291 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.220 -4.119 12.726 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.886 -3.177 14.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.324 -3.824 15.187 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.544 -5.566 14.718 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.072 -7.271 13.773 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.896 -6.260 14.985 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.186 -5.984 13.250 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.257 -6.290 12.341 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.323 -4.966 11.816 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.750 -4.599 12.562 1.00 0.00 H new ATOM 413 N GLY A 25 -3.976 -0.974 13.598 1.00 0.00 N ATOM 414 CA GLY A 25 -4.743 0.177 14.047 1.00 0.00 C ATOM 415 C GLY A 25 -5.765 0.593 13.003 1.00 0.00 C ATOM 416 O GLY A 25 -6.216 1.738 12.989 1.00 0.00 O ATOM 0 H GLY A 25 -3.021 -0.763 13.308 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.250 -0.062 14.982 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.070 1.009 14.253 1.00 0.00 H new ATOM 420 N ILE A 26 -6.130 -0.340 12.126 1.00 0.00 N ATOM 421 CA ILE A 26 -7.108 -0.051 11.078 1.00 0.00 C ATOM 422 C ILE A 26 -8.516 -0.350 11.583 1.00 0.00 C ATOM 423 O ILE A 26 -8.808 -1.469 12.002 1.00 0.00 O ATOM 424 CB ILE A 26 -6.790 -0.884 9.813 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.294 -0.153 8.552 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.426 -2.284 9.885 1.00 0.00 C ATOM 427 CD1 ILE A 26 -8.775 0.210 8.688 1.00 0.00 C ATOM 0 H ILE A 26 -5.768 -1.294 12.119 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.053 1.006 10.817 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.708 -1.002 9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.707 0.751 8.392 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.149 -0.787 7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.182 -2.841 8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.038 -2.815 10.754 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.508 -2.188 9.971 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.108 0.725 7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.361 -0.699 8.824 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.912 0.863 9.550 1.00 0.00 H new ATOM 439 N CYS A 27 -9.392 0.649 11.534 1.00 0.00 N ATOM 440 CA CYS A 27 -10.774 0.471 11.969 1.00 0.00 C ATOM 441 C CYS A 27 -11.727 1.083 10.953 1.00 0.00 C ATOM 442 O CYS A 27 -11.336 1.936 10.156 1.00 0.00 O ATOM 443 CB CYS A 27 -10.980 1.117 13.333 1.00 0.00 C ATOM 444 SG CYS A 27 -10.506 2.857 13.245 1.00 0.00 S ATOM 0 H CYS A 27 -9.171 1.587 11.199 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.982 -0.596 12.048 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -12.023 1.027 13.637 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -10.383 0.603 14.086 1.00 0.00 H new ATOM 449 N CYS A 28 -12.979 0.645 10.993 1.00 0.00 N ATOM 450 CA CYS A 28 -13.991 1.157 10.076 1.00 0.00 C ATOM 451 C CYS A 28 -13.440 1.228 8.649 1.00 0.00 C ATOM 452 O CYS A 28 -12.340 0.746 8.371 1.00 0.00 O ATOM 453 CB CYS A 28 -14.448 2.556 10.535 1.00 0.00 C ATOM 454 SG CYS A 28 -14.147 2.735 12.313 1.00 0.00 S ATOM 0 H CYS A 28 -13.318 -0.060 11.647 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.844 0.478 10.082 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -13.908 3.326 9.984 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -15.507 2.694 10.319 1.00 0.00 H new ATOM 459 N THR A 29 -14.212 1.840 7.751 1.00 0.00 N ATOM 460 CA THR A 29 -13.805 1.989 6.352 1.00 0.00 C ATOM 461 C THR A 29 -13.759 3.465 5.967 1.00 0.00 C ATOM 462 O THR A 29 -13.359 3.815 4.856 1.00 0.00 O ATOM 463 CB THR A 29 -14.789 1.252 5.441 1.00 0.00 C ATOM 464 OG1 THR A 29 -16.067 1.861 5.531 1.00 0.00 O ATOM 465 CG2 THR A 29 -14.885 -0.207 5.878 1.00 0.00 C ATOM 0 H THR A 29 -15.124 2.242 7.967 1.00 0.00 H new ATOM 0 HA THR A 29 -12.810 1.560 6.232 1.00 0.00 H new ATOM 0 HB THR A 29 -14.439 1.301 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.696 1.389 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.585 -0.735 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.902 -0.674 5.807 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.236 -0.256 6.909 1.00 0.00 H new ATOM 473 N SER A 30 -14.173 4.329 6.891 1.00 0.00 N ATOM 474 CA SER A 30 -14.172 5.766 6.634 1.00 0.00 C ATOM 475 C SER A 30 -12.749 6.316 6.662 1.00 0.00 C ATOM 476 O SER A 30 -12.497 7.431 6.203 1.00 0.00 O ATOM 477 CB SER A 30 -15.018 6.489 7.680 1.00 0.00 C ATOM 478 OG SER A 30 -16.369 6.064 7.566 1.00 0.00 O ATOM 0 H SER A 30 -14.510 4.062 7.816 1.00 0.00 H new ATOM 0 HA SER A 30 -14.597 5.935 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.641 6.276 8.680 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.951 7.567 7.537 1.00 0.00 H new ATOM 0 HG SER A 30 -16.915 6.525 8.237 1.00 0.00 H new ATOM 484 N GLU A 31 -11.823 5.527 7.210 1.00 0.00 N ATOM 485 CA GLU A 31 -10.419 5.936 7.300 1.00 0.00 C ATOM 486 C GLU A 31 -9.682 5.600 6.008 1.00 0.00 C ATOM 487 O GLU A 31 -8.519 5.961 5.833 1.00 0.00 O ATOM 488 CB GLU A 31 -9.741 5.240 8.488 1.00 0.00 C ATOM 489 CG GLU A 31 -10.094 5.964 9.792 1.00 0.00 C ATOM 490 CD GLU A 31 -11.585 5.833 10.075 1.00 0.00 C ATOM 491 OE1 GLU A 31 -12.357 6.488 9.394 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.934 5.079 10.967 1.00 0.00 O ATOM 0 H GLU A 31 -12.018 4.604 7.597 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.381 7.015 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.062 4.200 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.660 5.233 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.521 5.543 10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.821 7.017 9.718 1.00 0.00 H new ATOM 499 N VAL A 32 -10.373 4.929 5.096 1.00 0.00 N ATOM 500 CA VAL A 32 -9.782 4.585 3.813 1.00 0.00 C ATOM 501 C VAL A 32 -9.121 5.825 3.195 1.00 0.00 C ATOM 502 O VAL A 32 -7.934 5.800 2.873 1.00 0.00 O ATOM 503 CB VAL A 32 -10.865 4.022 2.861 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.479 4.254 1.388 1.00 0.00 C ATOM 505 CG2 VAL A 32 -11.035 2.518 3.101 1.00 0.00 C ATOM 0 H VAL A 32 -11.335 4.615 5.220 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.022 3.819 3.965 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.800 4.543 3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.256 3.849 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.373 5.323 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.534 3.754 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.798 2.126 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.089 2.010 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.338 2.346 4.134 1.00 0.00 H new ATOM 515 N PRO A 33 -9.866 6.898 3.005 1.00 0.00 N ATOM 516 CA PRO A 33 -9.324 8.150 2.391 1.00 0.00 C ATOM 517 C PRO A 33 -8.086 8.658 3.121 1.00 0.00 C ATOM 518 O PRO A 33 -7.116 9.093 2.497 1.00 0.00 O ATOM 519 CB PRO A 33 -10.503 9.152 2.499 1.00 0.00 C ATOM 520 CG PRO A 33 -11.427 8.565 3.513 1.00 0.00 C ATOM 521 CD PRO A 33 -11.291 7.061 3.347 1.00 0.00 C ATOM 0 HA PRO A 33 -8.992 7.997 1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.155 10.137 2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.002 9.277 1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.155 8.877 4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.454 8.889 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.551 6.528 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.942 6.680 2.560 1.00 0.00 H new ATOM 529 N ILE A 34 -8.127 8.601 4.442 1.00 0.00 N ATOM 530 CA ILE A 34 -7.007 9.058 5.249 1.00 0.00 C ATOM 531 C ILE A 34 -5.778 8.192 4.992 1.00 0.00 C ATOM 532 O ILE A 34 -4.665 8.700 4.862 1.00 0.00 O ATOM 533 CB ILE A 34 -7.375 9.016 6.736 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.462 10.061 7.020 1.00 0.00 C ATOM 535 CG2 ILE A 34 -6.135 9.331 7.580 1.00 0.00 C ATOM 536 CD1 ILE A 34 -9.021 9.858 8.431 1.00 0.00 C ATOM 0 H ILE A 34 -8.919 8.245 4.976 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.776 10.086 4.970 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.745 8.023 6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.048 11.065 6.924 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.263 9.975 6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.397 9.301 8.638 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.360 8.592 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.765 10.324 7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.792 10.603 8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.451 8.860 8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.218 9.967 9.160 1.00 0.00 H new ATOM 548 N ILE A 35 -5.989 6.882 4.933 1.00 0.00 N ATOM 549 CA ILE A 35 -4.888 5.956 4.704 1.00 0.00 C ATOM 550 C ILE A 35 -4.264 6.207 3.337 1.00 0.00 C ATOM 551 O ILE A 35 -3.042 6.236 3.204 1.00 0.00 O ATOM 552 CB ILE A 35 -5.406 4.514 4.775 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.847 4.201 6.208 1.00 0.00 C ATOM 554 CG2 ILE A 35 -4.289 3.546 4.370 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.671 2.911 6.215 1.00 0.00 C ATOM 0 H ILE A 35 -6.903 6.441 5.039 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.131 6.111 5.472 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.251 4.401 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.975 4.092 6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.438 5.025 6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.659 2.522 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.969 3.766 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.444 3.661 5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.986 2.686 7.234 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.550 3.037 5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.064 2.090 5.833 1.00 0.00 H new ATOM 567 N GLU A 36 -5.105 6.389 2.329 1.00 0.00 N ATOM 568 CA GLU A 36 -4.618 6.635 0.977 1.00 0.00 C ATOM 569 C GLU A 36 -3.895 7.975 0.904 1.00 0.00 C ATOM 570 O GLU A 36 -2.947 8.140 0.134 1.00 0.00 O ATOM 571 CB GLU A 36 -5.786 6.626 -0.008 1.00 0.00 C ATOM 572 CG GLU A 36 -6.383 5.219 -0.078 1.00 0.00 C ATOM 573 CD GLU A 36 -7.566 5.203 -1.038 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.835 6.234 -1.634 1.00 0.00 O ATOM 575 OE2 GLU A 36 -8.186 4.159 -1.168 1.00 0.00 O ATOM 0 H GLU A 36 -6.121 6.371 2.419 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.917 5.843 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.547 7.340 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.445 6.938 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.625 4.509 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.705 4.901 0.914 1.00 0.00 H new ATOM 582 N ASN A 37 -4.350 8.928 1.708 1.00 0.00 N ATOM 583 CA ASN A 37 -3.745 10.255 1.730 1.00 0.00 C ATOM 584 C ASN A 37 -2.290 10.172 2.177 1.00 0.00 C ATOM 585 O ASN A 37 -1.428 10.879 1.653 1.00 0.00 O ATOM 586 CB ASN A 37 -4.519 11.170 2.678 1.00 0.00 C ATOM 587 CG ASN A 37 -3.865 12.547 2.723 1.00 0.00 C ATOM 588 OD1 ASN A 37 -3.204 12.889 3.703 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.009 13.361 1.713 1.00 0.00 N ATOM 0 H ASN A 37 -5.133 8.808 2.351 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.782 10.665 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.553 11.260 2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.542 10.736 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.573 14.283 1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.557 13.075 0.902 1.00 0.00 H new ATOM 596 N ILE A 38 -2.020 9.310 3.152 1.00 0.00 N ATOM 597 CA ILE A 38 -0.662 9.156 3.664 1.00 0.00 C ATOM 598 C ILE A 38 0.265 8.649 2.562 1.00 0.00 C ATOM 599 O ILE A 38 1.371 9.159 2.385 1.00 0.00 O ATOM 600 CB ILE A 38 -0.661 8.165 4.836 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.402 8.781 6.027 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.781 7.853 5.245 1.00 0.00 C ATOM 603 CD1 ILE A 38 -1.643 7.706 7.088 1.00 0.00 C ATOM 0 H ILE A 38 -2.715 8.713 3.600 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.303 10.126 4.008 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.160 7.245 4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.818 9.599 6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.352 9.203 5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.779 7.149 6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.312 7.414 4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.280 8.773 5.549 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.170 8.143 7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.244 6.903 6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.687 7.305 7.423 1.00 0.00 H new ATOM 615 N LEU A 39 -0.192 7.650 1.819 1.00 0.00 N ATOM 616 CA LEU A 39 0.606 7.095 0.732 1.00 0.00 C ATOM 617 C LEU A 39 0.817 8.137 -0.360 1.00 0.00 C ATOM 618 O LEU A 39 1.892 8.222 -0.955 1.00 0.00 O ATOM 619 CB LEU A 39 -0.081 5.848 0.157 1.00 0.00 C ATOM 620 CG LEU A 39 0.291 4.617 0.989 1.00 0.00 C ATOM 621 CD1 LEU A 39 -0.064 4.854 2.454 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.483 3.409 0.472 1.00 0.00 C ATOM 0 H LEU A 39 -1.103 7.210 1.947 1.00 0.00 H new ATOM 0 HA LEU A 39 1.581 6.808 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.162 5.985 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.221 5.701 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 39 1.362 4.435 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.203 3.975 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.485 5.719 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.135 5.038 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.222 2.530 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.553 3.598 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.228 3.234 -0.573 1.00 0.00 H new ATOM 634 N LYS A 40 -0.218 8.918 -0.626 1.00 0.00 N ATOM 635 CA LYS A 40 -0.138 9.940 -1.657 1.00 0.00 C ATOM 636 C LYS A 40 0.982 10.926 -1.340 1.00 0.00 C ATOM 637 O LYS A 40 1.700 11.369 -2.236 1.00 0.00 O ATOM 638 CB LYS A 40 -1.466 10.691 -1.746 1.00 0.00 C ATOM 639 CG LYS A 40 -1.430 11.665 -2.930 1.00 0.00 C ATOM 640 CD LYS A 40 -2.724 12.489 -2.964 1.00 0.00 C ATOM 641 CE LYS A 40 -3.902 11.628 -3.436 1.00 0.00 C ATOM 642 NZ LYS A 40 -5.035 12.516 -3.820 1.00 0.00 N ATOM 0 H LYS A 40 -1.117 8.865 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 40 0.073 9.457 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.287 9.985 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.650 11.236 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.569 12.327 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.314 11.114 -3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.933 12.888 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.600 13.342 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.602 11.014 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.211 10.947 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.837 11.937 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.325 13.084 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.735 13.148 -4.589 1.00 0.00 H new ATOM 656 N SER A 41 1.121 11.269 -0.064 1.00 0.00 N ATOM 657 CA SER A 41 2.154 12.209 0.351 1.00 0.00 C ATOM 658 C SER A 41 3.538 11.664 0.015 1.00 0.00 C ATOM 659 O SER A 41 4.457 12.423 -0.296 1.00 0.00 O ATOM 660 CB SER A 41 2.055 12.465 1.854 1.00 0.00 C ATOM 661 OG SER A 41 2.372 11.273 2.555 1.00 0.00 O ATOM 0 H SER A 41 0.537 10.914 0.694 1.00 0.00 H new ATOM 0 HA SER A 41 2.004 13.146 -0.186 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.738 13.264 2.144 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.049 12.796 2.113 1.00 0.00 H new ATOM 0 HG SER A 41 1.964 10.507 2.099 1.00 0.00 H new ATOM 667 N LEU A 42 3.679 10.344 0.082 1.00 0.00 N ATOM 668 CA LEU A 42 4.956 9.708 -0.216 1.00 0.00 C ATOM 669 C LEU A 42 5.222 9.727 -1.715 1.00 0.00 C ATOM 670 O LEU A 42 4.297 9.627 -2.523 1.00 0.00 O ATOM 671 CB LEU A 42 4.943 8.262 0.282 1.00 0.00 C ATOM 672 CG LEU A 42 4.620 8.235 1.780 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.548 6.781 2.254 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.710 8.987 2.571 1.00 0.00 C ATOM 0 H LEU A 42 2.931 9.699 0.338 1.00 0.00 H new ATOM 0 HA LEU A 42 5.747 10.261 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.202 7.684 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.911 7.796 0.100 1.00 0.00 H new ATOM 0 HG LEU A 42 3.661 8.725 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.318 6.757 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.768 6.257 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.507 6.293 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.471 8.962 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.675 8.509 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.755 10.023 2.234 1.00 0.00 H new ATOM 686 N ASP A 43 6.495 9.857 -2.083 1.00 0.00 N ATOM 687 CA ASP A 43 6.888 9.888 -3.491 1.00 0.00 C ATOM 688 C ASP A 43 7.478 8.544 -3.904 1.00 0.00 C ATOM 689 O ASP A 43 8.164 7.888 -3.120 1.00 0.00 O ATOM 690 CB ASP A 43 7.922 10.990 -3.720 1.00 0.00 C ATOM 691 CG ASP A 43 8.170 11.167 -5.215 1.00 0.00 C ATOM 692 OD1 ASP A 43 7.660 10.363 -5.979 1.00 0.00 O ATOM 693 OD2 ASP A 43 8.865 12.103 -5.575 1.00 0.00 O ATOM 0 H ASP A 43 7.271 9.942 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 43 6.003 10.090 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.570 11.927 -3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.854 10.736 -3.215 1.00 0.00 H new ATOM 698 N GLY A 44 7.205 8.142 -5.144 1.00 0.00 N ATOM 699 CA GLY A 44 7.706 6.873 -5.673 1.00 0.00 C ATOM 700 C GLY A 44 6.600 5.821 -5.691 1.00 0.00 C ATOM 701 O GLY A 44 6.692 4.825 -6.409 1.00 0.00 O ATOM 0 H GLY A 44 6.639 8.677 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.091 7.021 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.538 6.522 -5.063 1.00 0.00 H new ATOM 705 N VAL A 45 5.552 6.049 -4.902 1.00 0.00 N ATOM 706 CA VAL A 45 4.437 5.111 -4.848 1.00 0.00 C ATOM 707 C VAL A 45 3.692 5.088 -6.179 1.00 0.00 C ATOM 708 O VAL A 45 3.380 6.135 -6.746 1.00 0.00 O ATOM 709 CB VAL A 45 3.470 5.510 -3.734 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.238 5.653 -2.419 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.814 6.846 -4.088 1.00 0.00 C ATOM 0 H VAL A 45 5.453 6.865 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 45 4.836 4.117 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 45 2.703 4.743 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.549 5.938 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.709 4.703 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.004 6.421 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.123 7.134 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.582 7.612 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.268 6.746 -5.026 1.00 0.00 H new ATOM 721 N LYS A 46 3.410 3.885 -6.673 1.00 0.00 N ATOM 722 CA LYS A 46 2.700 3.729 -7.942 1.00 0.00 C ATOM 723 C LYS A 46 1.210 3.519 -7.710 1.00 0.00 C ATOM 724 O LYS A 46 0.379 4.244 -8.256 1.00 0.00 O ATOM 725 CB LYS A 46 3.275 2.528 -8.702 1.00 0.00 C ATOM 726 CG LYS A 46 4.653 2.892 -9.285 1.00 0.00 C ATOM 727 CD LYS A 46 4.493 3.569 -10.663 1.00 0.00 C ATOM 728 CE LYS A 46 4.439 2.506 -11.762 1.00 0.00 C ATOM 729 NZ LYS A 46 3.998 3.133 -13.037 1.00 0.00 N ATOM 0 H LYS A 46 3.660 3.007 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 46 2.832 4.639 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.367 1.673 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.597 2.234 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.178 3.561 -8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.262 1.994 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.583 4.169 -10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.326 4.249 -10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.420 2.049 -11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.751 1.709 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.961 2.411 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.053 3.549 -12.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.671 3.878 -13.308 1.00 0.00 H new ATOM 743 N GLU A 47 0.879 2.520 -6.900 1.00 0.00 N ATOM 744 CA GLU A 47 -0.516 2.219 -6.607 1.00 0.00 C ATOM 745 C GLU A 47 -0.636 1.492 -5.273 1.00 0.00 C ATOM 746 O GLU A 47 0.329 0.910 -4.777 1.00 0.00 O ATOM 747 CB GLU A 47 -1.107 1.355 -7.729 1.00 0.00 C ATOM 748 CG GLU A 47 -0.055 0.351 -8.204 1.00 0.00 C ATOM 749 CD GLU A 47 -0.674 -0.611 -9.213 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.753 -1.112 -8.939 1.00 0.00 O ATOM 751 OE2 GLU A 47 -0.059 -0.835 -10.242 1.00 0.00 O ATOM 0 H GLU A 47 1.552 1.909 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.070 3.155 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.992 0.829 -7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.425 1.985 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.784 0.878 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.340 -0.205 -7.354 1.00 0.00 H new ATOM 758 N TYR A 48 -1.832 1.533 -4.698 1.00 0.00 N ATOM 759 CA TYR A 48 -2.086 0.879 -3.422 1.00 0.00 C ATOM 760 C TYR A 48 -3.577 0.621 -3.238 1.00 0.00 C ATOM 761 O TYR A 48 -4.412 1.232 -3.905 1.00 0.00 O ATOM 762 CB TYR A 48 -1.557 1.741 -2.275 1.00 0.00 C ATOM 763 CG TYR A 48 -1.951 3.182 -2.513 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.279 3.587 -2.332 1.00 0.00 C ATOM 765 CD2 TYR A 48 -0.985 4.111 -2.921 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.641 4.921 -2.558 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.348 5.445 -3.147 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.676 5.849 -2.965 1.00 0.00 C ATOM 769 OH TYR A 48 -3.033 7.163 -3.186 1.00 0.00 O ATOM 0 H TYR A 48 -2.640 2.012 -5.095 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.566 -0.079 -3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.963 1.393 -1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.472 1.654 -2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.024 2.871 -2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.039 3.799 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.665 5.234 -2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.604 6.162 -3.462 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.244 7.674 -3.462 1.00 0.00 H new ATOM 779 N SER A 49 -3.905 -0.286 -2.324 1.00 0.00 N ATOM 780 CA SER A 49 -5.298 -0.620 -2.048 1.00 0.00 C ATOM 781 C SER A 49 -5.470 -1.011 -0.585 1.00 0.00 C ATOM 782 O SER A 49 -4.620 -1.693 -0.011 1.00 0.00 O ATOM 783 CB SER A 49 -5.741 -1.780 -2.938 1.00 0.00 C ATOM 784 OG SER A 49 -7.137 -1.986 -2.775 1.00 0.00 O ATOM 0 H SER A 49 -3.227 -0.802 -1.763 1.00 0.00 H new ATOM 0 HA SER A 49 -5.912 0.256 -2.257 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.513 -1.562 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.194 -2.686 -2.675 1.00 0.00 H new ATOM 0 HG SER A 49 -7.427 -2.728 -3.345 1.00 0.00 H new ATOM 790 N VAL A 50 -6.577 -0.578 0.016 1.00 0.00 N ATOM 791 CA VAL A 50 -6.856 -0.890 1.414 1.00 0.00 C ATOM 792 C VAL A 50 -7.872 -2.019 1.511 1.00 0.00 C ATOM 793 O VAL A 50 -9.011 -1.882 1.059 1.00 0.00 O ATOM 794 CB VAL A 50 -7.410 0.348 2.121 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.432 0.106 3.631 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.518 1.550 1.807 1.00 0.00 C ATOM 0 H VAL A 50 -7.292 -0.013 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.927 -1.202 1.892 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.424 0.546 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.827 0.988 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.066 -0.753 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.419 -0.090 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.910 2.435 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.505 1.353 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.503 1.721 0.731 1.00 0.00 H new ATOM 806 N ILE A 51 -7.450 -3.138 2.104 1.00 0.00 N ATOM 807 CA ILE A 51 -8.325 -4.295 2.263 1.00 0.00 C ATOM 808 C ILE A 51 -8.590 -4.547 3.736 1.00 0.00 C ATOM 809 O ILE A 51 -7.853 -5.281 4.403 1.00 0.00 O ATOM 810 CB ILE A 51 -7.679 -5.539 1.644 1.00 0.00 C ATOM 811 CG1 ILE A 51 -7.298 -5.251 0.192 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.663 -6.713 1.673 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.458 -6.411 -0.346 1.00 0.00 C ATOM 0 H ILE A 51 -6.510 -3.265 2.480 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.267 -4.089 1.754 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.789 -5.795 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.195 -5.124 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.736 -4.319 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.194 -7.592 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.940 -6.930 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.556 -6.453 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.183 -6.211 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.555 -6.516 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.037 -7.333 -0.296 1.00 0.00 H new ATOM 825 N VAL A 52 -9.675 -3.953 4.218 1.00 0.00 N ATOM 826 CA VAL A 52 -10.105 -4.118 5.598 1.00 0.00 C ATOM 827 C VAL A 52 -10.724 -5.510 5.787 1.00 0.00 C ATOM 828 O VAL A 52 -10.594 -6.108 6.854 1.00 0.00 O ATOM 829 CB VAL A 52 -11.121 -2.988 6.008 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.199 -1.905 4.912 1.00 0.00 C ATOM 831 CG2 VAL A 52 -12.552 -3.543 6.283 1.00 0.00 C ATOM 0 H VAL A 52 -10.279 -3.346 3.664 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.236 -4.031 6.250 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.745 -2.554 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.906 -1.132 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.214 -1.460 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.532 -2.357 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.213 -2.722 6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.934 -4.027 5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.511 -4.268 7.096 1.00 0.00 H new ATOM 841 N PRO A 53 -11.422 -6.023 4.786 1.00 0.00 N ATOM 842 CA PRO A 53 -12.105 -7.349 4.891 1.00 0.00 C ATOM 843 C PRO A 53 -11.142 -8.457 5.303 1.00 0.00 C ATOM 844 O PRO A 53 -11.509 -9.376 6.036 1.00 0.00 O ATOM 845 CB PRO A 53 -12.676 -7.588 3.478 1.00 0.00 C ATOM 846 CG PRO A 53 -12.790 -6.230 2.869 1.00 0.00 C ATOM 847 CD PRO A 53 -11.622 -5.434 3.442 1.00 0.00 C ATOM 0 HA PRO A 53 -12.877 -7.355 5.661 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.019 -8.229 2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.646 -8.082 3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.736 -6.281 1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.744 -5.765 3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.729 -5.532 2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.853 -4.370 3.501 1.00 0.00 H new ATOM 855 N SER A 54 -9.908 -8.360 4.816 1.00 0.00 N ATOM 856 CA SER A 54 -8.877 -9.353 5.119 1.00 0.00 C ATOM 857 C SER A 54 -7.793 -8.753 6.007 1.00 0.00 C ATOM 858 O SER A 54 -6.817 -9.423 6.346 1.00 0.00 O ATOM 859 CB SER A 54 -8.251 -9.857 3.816 1.00 0.00 C ATOM 860 OG SER A 54 -9.243 -10.535 3.054 1.00 0.00 O ATOM 0 H SER A 54 -9.595 -7.603 4.208 1.00 0.00 H new ATOM 0 HA SER A 54 -9.341 -10.184 5.651 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.845 -9.021 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.420 -10.528 4.033 1.00 0.00 H new ATOM 0 HG SER A 54 -8.848 -10.859 2.217 1.00 0.00 H new ATOM 866 N ARG A 55 -7.971 -7.492 6.380 1.00 0.00 N ATOM 867 CA ARG A 55 -7.001 -6.813 7.234 1.00 0.00 C ATOM 868 C ARG A 55 -5.607 -6.885 6.625 1.00 0.00 C ATOM 869 O ARG A 55 -4.653 -7.307 7.280 1.00 0.00 O ATOM 870 CB ARG A 55 -6.980 -7.463 8.619 1.00 0.00 C ATOM 871 CG ARG A 55 -8.290 -7.163 9.347 1.00 0.00 C ATOM 872 CD ARG A 55 -8.293 -7.871 10.703 1.00 0.00 C ATOM 873 NE ARG A 55 -9.528 -7.572 11.421 1.00 0.00 N ATOM 874 CZ ARG A 55 -10.630 -8.294 11.234 1.00 0.00 C ATOM 875 NH1 ARG A 55 -10.623 -9.290 10.390 1.00 0.00 N ATOM 876 NH2 ARG A 55 -11.720 -8.003 11.891 1.00 0.00 N ATOM 0 H ARG A 55 -8.771 -6.921 6.108 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.296 -5.768 7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.844 -8.540 8.524 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.137 -7.085 9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.403 -6.088 9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.137 -7.498 8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.197 -8.947 10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.434 -7.550 11.292 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.547 -6.793 12.080 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.773 -9.515 9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.468 -9.843 10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.727 -7.222 12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.565 -8.556 11.748 1.00 0.00 H new ATOM 890 N THR A 56 -5.494 -6.473 5.367 1.00 0.00 N ATOM 891 CA THR A 56 -4.211 -6.491 4.668 1.00 0.00 C ATOM 892 C THR A 56 -4.062 -5.246 3.803 1.00 0.00 C ATOM 893 O THR A 56 -5.036 -4.745 3.246 1.00 0.00 O ATOM 894 CB THR A 56 -4.113 -7.738 3.789 1.00 0.00 C ATOM 895 OG1 THR A 56 -4.324 -8.893 4.590 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.726 -7.802 3.150 1.00 0.00 C ATOM 0 H THR A 56 -6.273 -6.123 4.810 1.00 0.00 H new ATOM 0 HA THR A 56 -3.412 -6.507 5.409 1.00 0.00 H new ATOM 0 HB THR A 56 -4.869 -7.696 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.264 -9.695 4.030 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.655 -8.691 2.523 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.565 -6.913 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.967 -7.847 3.931 1.00 0.00 H new ATOM 904 N VAL A 57 -2.834 -4.746 3.690 1.00 0.00 N ATOM 905 CA VAL A 57 -2.562 -3.559 2.883 1.00 0.00 C ATOM 906 C VAL A 57 -1.442 -3.855 1.899 1.00 0.00 C ATOM 907 O VAL A 57 -0.387 -4.363 2.279 1.00 0.00 O ATOM 908 CB VAL A 57 -2.158 -2.392 3.784 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.695 -1.210 2.927 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.354 -1.971 4.638 1.00 0.00 C ATOM 0 H VAL A 57 -2.013 -5.143 4.146 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.465 -3.289 2.335 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.340 -2.704 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.408 -0.381 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.839 -1.512 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.508 -0.895 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.067 -1.139 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.174 -1.662 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.675 -2.811 5.254 1.00 0.00 H new ATOM 920 N ILE A 58 -1.678 -3.527 0.630 1.00 0.00 N ATOM 921 CA ILE A 58 -0.688 -3.753 -0.420 1.00 0.00 C ATOM 922 C ILE A 58 -0.356 -2.437 -1.118 1.00 0.00 C ATOM 923 O ILE A 58 -1.243 -1.637 -1.412 1.00 0.00 O ATOM 924 CB ILE A 58 -1.232 -4.775 -1.443 1.00 0.00 C ATOM 925 CG1 ILE A 58 -2.219 -4.087 -2.425 1.00 0.00 C ATOM 926 CG2 ILE A 58 -1.967 -5.903 -0.696 1.00 0.00 C ATOM 927 CD1 ILE A 58 -1.478 -3.427 -3.609 1.00 0.00 C ATOM 0 H ILE A 58 -2.547 -3.104 0.304 1.00 0.00 H new ATOM 0 HA ILE A 58 0.222 -4.151 0.029 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.395 -5.184 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.928 -4.823 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.797 -3.333 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.352 -6.625 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.275 -6.401 -0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.795 -5.482 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.202 -2.956 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.788 -2.673 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.921 -4.186 -4.158 1.00 0.00 H new ATOM 939 N VAL A 59 0.926 -2.218 -1.381 1.00 0.00 N ATOM 940 CA VAL A 59 1.368 -1.000 -2.054 1.00 0.00 C ATOM 941 C VAL A 59 2.588 -1.290 -2.921 1.00 0.00 C ATOM 942 O VAL A 59 3.497 -2.008 -2.506 1.00 0.00 O ATOM 943 CB VAL A 59 1.707 0.077 -1.018 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.675 -0.500 0.014 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.357 1.280 -1.711 1.00 0.00 C ATOM 0 H VAL A 59 1.677 -2.865 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 59 0.561 -0.639 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 59 0.792 0.401 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.918 0.264 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.211 -1.351 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.588 -0.825 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.596 2.042 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.272 0.961 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.667 1.693 -2.446 1.00 0.00 H new ATOM 955 N VAL A 60 2.610 -0.715 -4.121 1.00 0.00 N ATOM 956 CA VAL A 60 3.732 -0.901 -5.040 1.00 0.00 C ATOM 957 C VAL A 60 4.505 0.403 -5.168 1.00 0.00 C ATOM 958 O VAL A 60 3.929 1.448 -5.471 1.00 0.00 O ATOM 959 CB VAL A 60 3.217 -1.333 -6.411 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.399 -1.519 -7.360 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.456 -2.654 -6.278 1.00 0.00 C ATOM 0 H VAL A 60 1.866 -0.117 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 60 4.391 -1.676 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 60 2.548 -0.568 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.034 -1.827 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.941 -0.578 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.067 -2.284 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.088 -2.962 -7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.123 -3.420 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.613 -2.522 -5.599 1.00 0.00 H new ATOM 971 N HIS A 61 5.811 0.338 -4.926 1.00 0.00 N ATOM 972 CA HIS A 61 6.659 1.522 -4.999 1.00 0.00 C ATOM 973 C HIS A 61 8.082 1.123 -5.370 1.00 0.00 C ATOM 974 O HIS A 61 8.460 -0.043 -5.254 1.00 0.00 O ATOM 975 CB HIS A 61 6.667 2.238 -3.645 1.00 0.00 C ATOM 976 CG HIS A 61 7.374 1.387 -2.624 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.682 1.634 -2.239 1.00 0.00 N ATOM 978 CD2 HIS A 61 6.970 0.294 -1.900 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.015 0.710 -1.319 1.00 0.00 C ATOM 980 NE2 HIS A 61 8.007 -0.131 -1.076 1.00 0.00 N ATOM 0 H HIS A 61 6.304 -0.520 -4.678 1.00 0.00 H new ATOM 0 HA HIS A 61 6.264 2.192 -5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.166 3.203 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.645 2.437 -3.322 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.283 2.380 -2.589 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.995 -0.167 -1.961 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.980 0.655 -0.836 1.00 0.00 H new ATOM 989 N ASP A 62 8.869 2.098 -5.806 1.00 0.00 N ATOM 990 CA ASP A 62 10.254 1.844 -6.185 1.00 0.00 C ATOM 991 C ASP A 62 11.162 1.942 -4.967 1.00 0.00 C ATOM 992 O ASP A 62 11.233 2.984 -4.315 1.00 0.00 O ATOM 993 CB ASP A 62 10.696 2.857 -7.237 1.00 0.00 C ATOM 994 CG ASP A 62 12.010 2.413 -7.874 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.702 1.616 -7.262 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.303 2.871 -8.966 1.00 0.00 O ATOM 0 H ASP A 62 8.574 3.069 -5.906 1.00 0.00 H new ATOM 0 HA ASP A 62 10.325 0.838 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.927 2.956 -8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.818 3.839 -6.779 1.00 0.00 H new ATOM 1001 N SER A 63 11.849 0.849 -4.662 1.00 0.00 N ATOM 1002 CA SER A 63 12.738 0.821 -3.510 1.00 0.00 C ATOM 1003 C SER A 63 13.789 1.924 -3.617 1.00 0.00 C ATOM 1004 O SER A 63 14.184 2.513 -2.611 1.00 0.00 O ATOM 1005 CB SER A 63 13.434 -0.536 -3.428 1.00 0.00 C ATOM 1006 OG SER A 63 14.303 -0.689 -4.542 1.00 0.00 O ATOM 0 H SER A 63 11.808 -0.022 -5.191 1.00 0.00 H new ATOM 0 HA SER A 63 12.145 0.985 -2.611 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.999 -0.612 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.694 -1.336 -3.417 1.00 0.00 H new ATOM 0 HG SER A 63 15.223 -0.809 -4.225 1.00 0.00 H new ATOM 1012 N LEU A 64 14.245 2.198 -4.837 1.00 0.00 N ATOM 1013 CA LEU A 64 15.252 3.230 -5.045 1.00 0.00 C ATOM 1014 C LEU A 64 14.710 4.604 -4.646 1.00 0.00 C ATOM 1015 O LEU A 64 15.366 5.355 -3.923 1.00 0.00 O ATOM 1016 CB LEU A 64 15.657 3.244 -6.526 1.00 0.00 C ATOM 1017 CG LEU A 64 16.675 2.134 -6.798 1.00 0.00 C ATOM 1018 CD1 LEU A 64 16.064 0.782 -6.426 1.00 0.00 C ATOM 1019 CD2 LEU A 64 17.044 2.138 -8.284 1.00 0.00 C ATOM 0 H LEU A 64 13.936 1.725 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 64 16.119 3.009 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.777 3.104 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.084 4.213 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 64 17.571 2.304 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.788 -0.010 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.799 0.781 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.170 0.610 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.769 1.348 -8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.149 1.966 -8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.477 3.103 -8.549 1.00 0.00 H new ATOM 1031 N LEU A 65 13.510 4.925 -5.118 1.00 0.00 N ATOM 1032 CA LEU A 65 12.897 6.212 -4.801 1.00 0.00 C ATOM 1033 C LEU A 65 12.472 6.269 -3.342 1.00 0.00 C ATOM 1034 O LEU A 65 12.696 7.265 -2.654 1.00 0.00 O ATOM 1035 CB LEU A 65 11.682 6.446 -5.697 1.00 0.00 C ATOM 1036 CG LEU A 65 12.092 6.294 -7.169 1.00 0.00 C ATOM 1037 CD1 LEU A 65 10.853 6.429 -8.062 1.00 0.00 C ATOM 1038 CD2 LEU A 65 13.118 7.380 -7.541 1.00 0.00 C ATOM 0 H LEU A 65 12.947 4.320 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 65 13.637 6.992 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.894 5.733 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.275 7.442 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 65 12.542 5.312 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.144 6.321 -9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.132 5.653 -7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.401 7.409 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.405 7.267 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.676 8.365 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.001 7.278 -6.910 1.00 0.00 H new ATOM 1050 N ILE A 66 11.850 5.192 -2.876 1.00 0.00 N ATOM 1051 CA ILE A 66 11.384 5.125 -1.493 1.00 0.00 C ATOM 1052 C ILE A 66 11.400 3.694 -0.998 1.00 0.00 C ATOM 1053 O ILE A 66 10.976 2.781 -1.704 1.00 0.00 O ATOM 1054 CB ILE A 66 9.969 5.684 -1.396 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.524 5.671 0.069 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.009 4.828 -2.235 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.215 6.450 0.209 1.00 0.00 C ATOM 0 H ILE A 66 11.657 4.358 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 66 12.053 5.720 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 66 9.955 6.706 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.388 4.645 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.294 6.116 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.000 5.234 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.328 4.839 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.016 3.803 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.896 6.442 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.368 7.479 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.447 5.985 -0.409 1.00 0.00 H new ATOM 1069 N SER A 67 11.896 3.500 0.220 1.00 0.00 N ATOM 1070 CA SER A 67 11.965 2.160 0.797 1.00 0.00 C ATOM 1071 C SER A 67 10.709 1.850 1.617 1.00 0.00 C ATOM 1072 O SER A 67 9.970 2.759 1.993 1.00 0.00 O ATOM 1073 CB SER A 67 13.211 2.026 1.689 1.00 0.00 C ATOM 1074 OG SER A 67 12.828 2.095 3.060 1.00 0.00 O ATOM 0 H SER A 67 12.252 4.243 0.821 1.00 0.00 H new ATOM 0 HA SER A 67 12.030 1.445 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.714 1.080 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.922 2.820 1.459 1.00 0.00 H new ATOM 0 HG SER A 67 13.629 2.169 3.620 1.00 0.00 H new ATOM 1080 N PRO A 68 10.460 0.589 1.908 1.00 0.00 N ATOM 1081 CA PRO A 68 9.271 0.169 2.716 1.00 0.00 C ATOM 1082 C PRO A 68 9.241 0.847 4.090 1.00 0.00 C ATOM 1083 O PRO A 68 8.175 1.119 4.639 1.00 0.00 O ATOM 1084 CB PRO A 68 9.440 -1.357 2.863 1.00 0.00 C ATOM 1085 CG PRO A 68 10.348 -1.763 1.748 1.00 0.00 C ATOM 1086 CD PRO A 68 11.275 -0.575 1.505 1.00 0.00 C ATOM 0 HA PRO A 68 8.334 0.452 2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.868 -1.614 3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.479 -1.868 2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.917 -2.654 2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.779 -2.004 0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.187 -0.650 2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.578 -0.510 0.460 1.00 0.00 H new ATOM 1094 N PHE A 69 10.422 1.104 4.642 1.00 0.00 N ATOM 1095 CA PHE A 69 10.518 1.729 5.955 1.00 0.00 C ATOM 1096 C PHE A 69 9.817 3.081 5.960 1.00 0.00 C ATOM 1097 O PHE A 69 9.152 3.439 6.931 1.00 0.00 O ATOM 1098 CB PHE A 69 11.987 1.914 6.343 1.00 0.00 C ATOM 1099 CG PHE A 69 12.617 0.565 6.604 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.516 -0.022 7.871 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.304 -0.098 5.578 1.00 0.00 C ATOM 1102 CE1 PHE A 69 13.101 -1.271 8.112 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.888 -1.347 5.820 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.787 -1.934 7.087 1.00 0.00 C ATOM 0 H PHE A 69 11.319 0.891 4.205 1.00 0.00 H new ATOM 0 HA PHE A 69 10.030 1.077 6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.522 2.428 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.063 2.540 7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.987 0.488 8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.383 0.355 4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 69 13.023 -1.724 9.090 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.417 -1.858 5.029 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.238 -2.897 7.274 1.00 0.00 H new ATOM 1114 N GLN A 70 9.968 3.830 4.879 1.00 0.00 N ATOM 1115 CA GLN A 70 9.342 5.139 4.783 1.00 0.00 C ATOM 1116 C GLN A 70 7.824 5.008 4.843 1.00 0.00 C ATOM 1117 O GLN A 70 7.153 5.782 5.526 1.00 0.00 O ATOM 1118 CB GLN A 70 9.749 5.805 3.468 1.00 0.00 C ATOM 1119 CG GLN A 70 9.231 7.242 3.426 1.00 0.00 C ATOM 1120 CD GLN A 70 9.941 8.083 4.482 1.00 0.00 C ATOM 1121 OE1 GLN A 70 11.149 7.950 4.673 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.258 8.942 5.188 1.00 0.00 N ATOM 0 H GLN A 70 10.514 3.557 4.062 1.00 0.00 H new ATOM 0 HA GLN A 70 9.674 5.751 5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.834 5.798 3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.348 5.241 2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.398 7.669 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.155 7.255 3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.256 9.051 5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.726 9.504 5.899 1.00 0.00 H new ATOM 1131 N ILE A 71 7.286 4.026 4.125 1.00 0.00 N ATOM 1132 CA ILE A 71 5.843 3.814 4.110 1.00 0.00 C ATOM 1133 C ILE A 71 5.348 3.435 5.500 1.00 0.00 C ATOM 1134 O ILE A 71 4.327 3.943 5.967 1.00 0.00 O ATOM 1135 CB ILE A 71 5.488 2.709 3.110 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.768 3.202 1.686 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.003 2.348 3.239 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.686 2.025 0.713 1.00 0.00 C ATOM 0 H ILE A 71 7.820 3.372 3.553 1.00 0.00 H new ATOM 0 HA ILE A 71 5.357 4.741 3.807 1.00 0.00 H new ATOM 0 HB ILE A 71 6.093 1.827 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.046 3.969 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.756 3.661 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.756 1.562 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.801 1.996 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.395 3.229 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.885 2.376 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.425 1.273 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.689 1.586 0.756 1.00 0.00 H new ATOM 1150 N ALA A 72 6.071 2.538 6.158 1.00 0.00 N ATOM 1151 CA ALA A 72 5.689 2.097 7.494 1.00 0.00 C ATOM 1152 C ALA A 72 5.785 3.247 8.487 1.00 0.00 C ATOM 1153 O ALA A 72 4.931 3.402 9.361 1.00 0.00 O ATOM 1154 CB ALA A 72 6.600 0.954 7.942 1.00 0.00 C ATOM 0 H ALA A 72 6.919 2.104 5.792 1.00 0.00 H new ATOM 0 HA ALA A 72 4.656 1.749 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.310 0.628 8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.506 0.120 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.634 1.298 7.958 1.00 0.00 H new ATOM 1160 N LYS A 73 6.829 4.052 8.345 1.00 0.00 N ATOM 1161 CA LYS A 73 7.032 5.189 9.234 1.00 0.00 C ATOM 1162 C LYS A 73 5.898 6.194 9.085 1.00 0.00 C ATOM 1163 O LYS A 73 5.435 6.771 10.068 1.00 0.00 O ATOM 1164 CB LYS A 73 8.369 5.866 8.913 1.00 0.00 C ATOM 1165 CG LYS A 73 9.541 4.965 9.349 1.00 0.00 C ATOM 1166 CD LYS A 73 9.881 5.209 10.824 1.00 0.00 C ATOM 1167 CE LYS A 73 11.023 4.285 11.243 1.00 0.00 C ATOM 1168 NZ LYS A 73 12.249 4.636 10.475 1.00 0.00 N ATOM 0 H LYS A 73 7.545 3.941 7.627 1.00 0.00 H new ATOM 0 HA LYS A 73 7.045 4.828 10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.435 6.069 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.430 6.827 9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.279 3.918 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.414 5.168 8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.167 6.250 10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.004 5.026 11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.210 4.382 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.751 3.246 11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.085 4.254 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.188 4.230 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.331 5.670 10.406 1.00 0.00 H new ATOM 1182 N ALA A 74 5.452 6.399 7.852 1.00 0.00 N ATOM 1183 CA ALA A 74 4.375 7.341 7.596 1.00 0.00 C ATOM 1184 C ALA A 74 3.113 6.918 8.345 1.00 0.00 C ATOM 1185 O ALA A 74 2.418 7.747 8.930 1.00 0.00 O ATOM 1186 CB ALA A 74 4.095 7.406 6.091 1.00 0.00 C ATOM 0 H ALA A 74 5.816 5.930 7.023 1.00 0.00 H new ATOM 0 HA ALA A 74 4.675 8.328 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.287 8.113 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.993 7.733 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.805 6.419 5.732 1.00 0.00 H new ATOM 1192 N LEU A 75 2.833 5.621 8.323 1.00 0.00 N ATOM 1193 CA LEU A 75 1.661 5.085 9.007 1.00 0.00 C ATOM 1194 C LEU A 75 1.800 5.244 10.517 1.00 0.00 C ATOM 1195 O LEU A 75 0.820 5.499 11.218 1.00 0.00 O ATOM 1196 CB LEU A 75 1.475 3.610 8.656 1.00 0.00 C ATOM 1197 CG LEU A 75 1.083 3.476 7.176 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.127 1.997 6.774 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.332 4.049 6.926 1.00 0.00 C ATOM 0 H LEU A 75 3.399 4.922 7.841 1.00 0.00 H new ATOM 0 HA LEU A 75 0.786 5.644 8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.397 3.061 8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.703 3.170 9.288 1.00 0.00 H new ATOM 0 HG LEU A 75 1.790 4.044 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.850 1.897 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.135 1.610 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.428 1.432 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.587 3.943 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.057 3.505 7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.351 5.104 7.199 1.00 0.00 H new ATOM 1211 N ASN A 76 3.020 5.078 11.008 1.00 0.00 N ATOM 1212 CA ASN A 76 3.281 5.192 12.437 1.00 0.00 C ATOM 1213 C ASN A 76 2.927 6.589 12.935 1.00 0.00 C ATOM 1214 O ASN A 76 2.417 6.750 14.043 1.00 0.00 O ATOM 1215 CB ASN A 76 4.756 4.907 12.719 1.00 0.00 C ATOM 1216 CG ASN A 76 5.074 3.444 12.431 1.00 0.00 C ATOM 1217 OD1 ASN A 76 6.242 3.058 12.393 1.00 0.00 O ATOM 1218 ND2 ASN A 76 4.101 2.601 12.211 1.00 0.00 N ATOM 0 H ASN A 76 3.841 4.865 10.442 1.00 0.00 H new ATOM 0 HA ASN A 76 2.662 4.464 12.962 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.383 5.551 12.102 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.986 5.139 13.759 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.309 1.623 12.008 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.133 2.920 12.242 1.00 0.00 H new ATOM 1225 N GLU A 77 3.202 7.596 12.113 1.00 0.00 N ATOM 1226 CA GLU A 77 2.908 8.973 12.490 1.00 0.00 C ATOM 1227 C GLU A 77 1.449 9.113 12.915 1.00 0.00 C ATOM 1228 O GLU A 77 1.146 9.752 13.922 1.00 0.00 O ATOM 1229 CB GLU A 77 3.181 9.906 11.309 1.00 0.00 C ATOM 1230 CG GLU A 77 4.683 9.952 11.028 1.00 0.00 C ATOM 1231 CD GLU A 77 4.960 10.805 9.796 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.006 11.289 9.208 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.121 10.961 9.454 1.00 0.00 O ATOM 0 H GLU A 77 3.624 7.487 11.191 1.00 0.00 H new ATOM 0 HA GLU A 77 3.550 9.244 13.328 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.646 9.557 10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.811 10.907 11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.210 10.362 11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.063 8.942 10.873 1.00 0.00 H new ATOM 1240 N ALA A 78 0.552 8.511 12.143 1.00 0.00 N ATOM 1241 CA ALA A 78 -0.871 8.580 12.451 1.00 0.00 C ATOM 1242 C ALA A 78 -1.215 7.665 13.623 1.00 0.00 C ATOM 1243 O ALA A 78 -2.320 7.720 14.158 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.694 8.185 11.225 1.00 0.00 C ATOM 0 H ALA A 78 0.782 7.974 11.307 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.112 9.606 12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.756 8.240 11.466 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.473 8.866 10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.441 7.167 10.930 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.254 6.826 14.008 1.00 0.00 N ATOM 1251 CA ARG A 79 -0.440 5.894 15.121 1.00 0.00 C ATOM 1252 C ARG A 79 -1.441 4.795 14.751 1.00 0.00 C ATOM 1253 O ARG A 79 -2.357 4.489 15.514 1.00 0.00 O ATOM 1254 CB ARG A 79 -0.939 6.649 16.359 1.00 0.00 C ATOM 1255 CG ARG A 79 -0.718 5.799 17.613 1.00 0.00 C ATOM 1256 CD ARG A 79 -1.217 6.571 18.834 1.00 0.00 C ATOM 1257 NE ARG A 79 -2.666 6.739 18.764 1.00 0.00 N ATOM 1258 CZ ARG A 79 -3.491 5.795 19.208 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -3.007 4.692 19.712 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -4.783 5.969 19.139 1.00 0.00 N ATOM 0 H ARG A 79 0.663 6.772 13.565 1.00 0.00 H new ATOM 0 HA ARG A 79 0.521 5.429 15.341 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.411 7.598 16.454 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.998 6.884 16.250 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.250 4.852 17.524 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.340 5.561 17.725 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.949 6.037 19.746 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.732 7.546 18.881 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.052 7.596 18.367 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.998 4.555 19.765 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.638 3.967 20.053 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.161 6.830 18.744 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.414 5.244 19.480 1.00 0.00 H new ATOM 1274 N LEU A 80 -1.258 4.197 13.573 1.00 0.00 N ATOM 1275 CA LEU A 80 -2.142 3.124 13.104 1.00 0.00 C ATOM 1276 C LEU A 80 -1.439 1.774 13.219 1.00 0.00 C ATOM 1277 O LEU A 80 -1.968 0.749 12.783 1.00 0.00 O ATOM 1278 CB LEU A 80 -2.564 3.384 11.646 1.00 0.00 C ATOM 1279 CG LEU A 80 -3.791 4.304 11.616 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -3.518 5.563 12.444 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -4.093 4.691 10.165 1.00 0.00 C ATOM 0 H LEU A 80 -0.507 4.436 12.925 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.035 3.106 13.729 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.742 3.841 11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.793 2.441 11.150 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.649 3.782 12.041 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.393 6.212 12.419 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.305 5.281 13.475 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.661 6.093 12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.964 5.345 10.137 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.234 5.212 9.741 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.295 3.792 9.583 1.00 0.00 H new ATOM 1293 N GLU A 81 -0.248 1.781 13.804 1.00 0.00 N ATOM 1294 CA GLU A 81 0.511 0.549 13.967 1.00 0.00 C ATOM 1295 C GLU A 81 0.689 -0.139 12.621 1.00 0.00 C ATOM 1296 O GLU A 81 -0.249 -0.729 12.091 1.00 0.00 O ATOM 1297 CB GLU A 81 -0.221 -0.395 14.922 1.00 0.00 C ATOM 1298 CG GLU A 81 -0.222 0.205 16.323 1.00 0.00 C ATOM 1299 CD GLU A 81 -0.987 -0.702 17.282 1.00 0.00 C ATOM 1300 OE1 GLU A 81 -0.570 -1.835 17.453 1.00 0.00 O ATOM 1301 OE2 GLU A 81 -1.978 -0.247 17.829 1.00 0.00 O ATOM 0 H GLU A 81 0.209 2.616 14.170 1.00 0.00 H new ATOM 0 HA GLU A 81 1.489 0.796 14.379 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.244 -0.554 14.581 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.266 -1.370 14.932 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.802 0.335 16.672 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.679 1.194 16.303 1.00 0.00 H new ATOM 1308 N ALA A 82 1.899 -0.058 12.070 1.00 0.00 N ATOM 1309 CA ALA A 82 2.197 -0.677 10.777 1.00 0.00 C ATOM 1310 C ALA A 82 3.452 -1.532 10.877 1.00 0.00 C ATOM 1311 O ALA A 82 4.425 -1.154 11.530 1.00 0.00 O ATOM 1312 CB ALA A 82 2.405 0.407 9.717 1.00 0.00 C ATOM 0 H ALA A 82 2.688 0.428 12.496 1.00 0.00 H new ATOM 0 HA ALA A 82 1.356 -1.309 10.492 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.626 -0.060 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.500 1.007 9.628 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.237 1.047 10.010 1.00 0.00 H new ATOM 1318 N ASN A 83 3.424 -2.691 10.224 1.00 0.00 N ATOM 1319 CA ASN A 83 4.567 -3.607 10.243 1.00 0.00 C ATOM 1320 C ASN A 83 4.686 -4.334 8.908 1.00 0.00 C ATOM 1321 O ASN A 83 3.682 -4.710 8.307 1.00 0.00 O ATOM 1322 CB ASN A 83 4.398 -4.626 11.377 1.00 0.00 C ATOM 1323 CG ASN A 83 3.763 -3.950 12.586 1.00 0.00 C ATOM 1324 OD1 ASN A 83 4.469 -3.449 13.462 1.00 0.00 O ATOM 1325 ND2 ASN A 83 2.464 -3.903 12.679 1.00 0.00 N ATOM 0 H ASN A 83 2.628 -3.019 9.677 1.00 0.00 H new ATOM 0 HA ASN A 83 5.476 -3.030 10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.775 -5.456 11.043 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.367 -5.045 11.650 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.026 -3.449 13.481 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.885 -4.320 11.950 1.00 0.00 H new ATOM 1332 N VAL A 84 5.916 -4.540 8.452 1.00 0.00 N ATOM 1333 CA VAL A 84 6.150 -5.235 7.187 1.00 0.00 C ATOM 1334 C VAL A 84 6.277 -6.732 7.423 1.00 0.00 C ATOM 1335 O VAL A 84 7.225 -7.187 8.065 1.00 0.00 O ATOM 1336 CB VAL A 84 7.431 -4.713 6.542 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.700 -5.482 5.248 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.266 -3.226 6.222 1.00 0.00 C ATOM 0 H VAL A 84 6.763 -4.239 8.934 1.00 0.00 H new ATOM 0 HA VAL A 84 5.305 -5.050 6.524 1.00 0.00 H new ATOM 0 HB VAL A 84 8.267 -4.851 7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.615 -5.110 4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.812 -6.543 5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.865 -5.342 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.179 -2.850 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.431 -3.092 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.070 -2.675 7.142 1.00 0.00 H new ATOM 1348 N ARG A 85 5.320 -7.493 6.897 1.00 0.00 N ATOM 1349 CA ARG A 85 5.327 -8.946 7.051 1.00 0.00 C ATOM 1350 C ARG A 85 5.800 -9.340 8.449 1.00 0.00 C ATOM 1351 O ARG A 85 6.997 -9.502 8.687 1.00 0.00 O ATOM 1352 CB ARG A 85 6.241 -9.577 6.000 1.00 0.00 C ATOM 1353 CG ARG A 85 6.173 -11.103 6.105 1.00 0.00 C ATOM 1354 CD ARG A 85 7.041 -11.730 5.015 1.00 0.00 C ATOM 1355 NE ARG A 85 6.456 -11.484 3.702 1.00 0.00 N ATOM 1356 CZ ARG A 85 7.064 -11.893 2.593 1.00 0.00 C ATOM 1357 NH1 ARG A 85 8.206 -12.519 2.668 1.00 0.00 N ATOM 1358 NH2 ARG A 85 6.518 -11.667 1.429 1.00 0.00 N ATOM 0 H ARG A 85 4.532 -7.129 6.362 1.00 0.00 H new ATOM 0 HA ARG A 85 4.309 -9.311 6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.939 -9.258 5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.267 -9.238 6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.516 -11.426 7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.141 -11.439 6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.047 -11.313 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.133 -12.803 5.185 1.00 0.00 H new ATOM 0 HE ARG A 85 5.566 -10.990 3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.632 -12.695 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.672 -12.833 1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.625 -11.177 1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.984 -11.981 0.578 1.00 0.00 H new ATOM 1372 N VAL A 86 4.854 -9.485 9.370 1.00 0.00 N ATOM 1373 CA VAL A 86 5.196 -9.853 10.737 1.00 0.00 C ATOM 1374 C VAL A 86 5.639 -11.310 10.802 1.00 0.00 C ATOM 1375 O VAL A 86 4.945 -12.202 10.315 1.00 0.00 O ATOM 1376 CB VAL A 86 3.984 -9.646 11.649 1.00 0.00 C ATOM 1377 CG1 VAL A 86 3.569 -8.173 11.618 1.00 0.00 C ATOM 1378 CG2 VAL A 86 2.819 -10.514 11.158 1.00 0.00 C ATOM 0 H VAL A 86 3.857 -9.355 9.198 1.00 0.00 H new ATOM 0 HA VAL A 86 6.017 -9.219 11.072 1.00 0.00 H new ATOM 0 HB VAL A 86 4.244 -9.930 12.669 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.706 -8.024 12.267 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.396 -7.555 11.967 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.309 -7.890 10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.956 -10.366 11.808 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.558 -10.230 10.138 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.113 -11.563 11.179 1.00 0.00 H new ATOM 1388 N ASN A 87 6.802 -11.546 11.405 1.00 0.00 N ATOM 1389 CA ASN A 87 7.334 -12.902 11.531 1.00 0.00 C ATOM 1390 C ASN A 87 6.957 -13.499 12.882 1.00 0.00 C ATOM 1391 O ASN A 87 7.324 -14.632 13.195 1.00 0.00 O ATOM 1392 CB ASN A 87 8.858 -12.878 11.390 1.00 0.00 C ATOM 1393 CG ASN A 87 9.241 -12.575 9.945 1.00 0.00 C ATOM 1394 OD1 ASN A 87 8.429 -12.750 9.037 1.00 0.00 O ATOM 1395 ND2 ASN A 87 10.437 -12.128 9.676 1.00 0.00 N ATOM 0 H ASN A 87 7.392 -10.820 11.812 1.00 0.00 H new ATOM 0 HA ASN A 87 6.905 -13.518 10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.281 -12.124 12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.275 -13.839 11.692 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.700 -11.923 8.712 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.109 -11.983 10.430 1.00 0.00 H new ATOM 1402 N GLY A 88 6.219 -12.732 13.678 1.00 0.00 N ATOM 1403 CA GLY A 88 5.796 -13.198 14.992 1.00 0.00 C ATOM 1404 C GLY A 88 7.000 -13.556 15.854 1.00 0.00 C ATOM 1405 O GLY A 88 7.954 -12.786 15.957 1.00 0.00 O ATOM 0 H GLY A 88 5.904 -11.792 13.438 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.208 -12.424 15.485 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.150 -14.069 14.883 1.00 0.00 H new ATOM 1409 N GLU A 89 6.948 -14.732 16.473 1.00 0.00 N ATOM 1410 CA GLU A 89 8.040 -15.186 17.327 1.00 0.00 C ATOM 1411 C GLU A 89 7.979 -16.697 17.518 1.00 0.00 C ATOM 1412 O GLU A 89 8.937 -17.312 17.989 1.00 0.00 O ATOM 1413 CB GLU A 89 7.960 -14.489 18.687 1.00 0.00 C ATOM 1414 CG GLU A 89 6.636 -14.842 19.369 1.00 0.00 C ATOM 1415 CD GLU A 89 6.492 -14.054 20.666 1.00 0.00 C ATOM 1416 OE1 GLU A 89 6.790 -12.872 20.653 1.00 0.00 O ATOM 1417 OE2 GLU A 89 6.086 -14.644 21.652 1.00 0.00 O ATOM 0 H GLU A 89 6.167 -15.384 16.400 1.00 0.00 H new ATOM 0 HA GLU A 89 8.985 -14.934 16.845 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.797 -14.797 19.314 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.038 -13.409 18.559 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.803 -14.617 18.703 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.598 -15.911 19.577 1.00 0.00 H new ATOM 1424 N THR A 90 6.846 -17.290 17.154 1.00 0.00 N ATOM 1425 CA THR A 90 6.666 -18.732 17.293 1.00 0.00 C ATOM 1426 C THR A 90 7.196 -19.212 18.641 1.00 0.00 C ATOM 1427 O THR A 90 8.301 -19.744 18.730 1.00 0.00 O ATOM 1428 CB THR A 90 7.402 -19.459 16.165 1.00 0.00 C ATOM 1429 OG1 THR A 90 6.977 -18.939 14.913 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.090 -20.955 16.228 1.00 0.00 C ATOM 0 H THR A 90 6.043 -16.798 16.763 1.00 0.00 H new ATOM 0 HA THR A 90 5.600 -18.954 17.236 1.00 0.00 H new ATOM 0 HB THR A 90 8.476 -19.309 16.277 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.448 -19.402 14.189 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.615 -21.470 15.424 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.416 -21.354 17.188 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.017 -21.108 16.117 1.00 0.00 H new ATOM 1438 N SER A 91 6.400 -19.017 19.688 1.00 0.00 N ATOM 1439 CA SER A 91 6.803 -19.434 21.025 1.00 0.00 C ATOM 1440 C SER A 91 6.704 -20.950 21.166 1.00 0.00 C ATOM 1441 O SER A 91 5.791 -21.576 20.628 1.00 0.00 O ATOM 1442 CB SER A 91 5.912 -18.758 22.071 1.00 0.00 C ATOM 1443 OG SER A 91 6.308 -17.401 22.216 1.00 0.00 O ATOM 0 H SER A 91 5.481 -18.577 19.637 1.00 0.00 H new ATOM 0 HA SER A 91 7.839 -19.135 21.184 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.867 -18.814 21.766 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.994 -19.277 23.026 1.00 0.00 H new ATOM 0 HG SER A 91 6.043 -17.076 23.102 1.00 0.00 H new ATOM 1449 N PHE A 92 7.647 -21.533 21.900 1.00 0.00 N ATOM 1450 CA PHE A 92 7.653 -22.976 22.113 1.00 0.00 C ATOM 1451 C PHE A 92 6.402 -23.413 22.870 1.00 0.00 C ATOM 1452 O PHE A 92 5.740 -24.378 22.489 1.00 0.00 O ATOM 1453 CB PHE A 92 8.900 -23.380 22.898 1.00 0.00 C ATOM 1454 CG PHE A 92 8.896 -22.690 24.240 1.00 0.00 C ATOM 1455 CD1 PHE A 92 9.396 -21.389 24.358 1.00 0.00 C ATOM 1456 CD2 PHE A 92 8.393 -23.350 25.369 1.00 0.00 C ATOM 1457 CE1 PHE A 92 9.398 -20.747 25.601 1.00 0.00 C ATOM 1458 CE2 PHE A 92 8.394 -22.708 26.613 1.00 0.00 C ATOM 1459 CZ PHE A 92 8.896 -21.406 26.728 1.00 0.00 C ATOM 0 H PHE A 92 8.411 -21.033 22.354 1.00 0.00 H new ATOM 0 HA PHE A 92 7.662 -23.469 21.141 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.923 -24.461 23.033 1.00 0.00 H new ATOM 0 HB3 PHE A 92 9.797 -23.109 22.341 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.781 -20.879 23.488 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.005 -24.354 25.280 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.787 -19.743 25.690 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.008 -23.217 27.484 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.896 -20.910 27.687 1.00 0.00 H new ATOM 1469 N LYS A 93 6.084 -22.694 23.944 1.00 0.00 N ATOM 1470 CA LYS A 93 4.911 -23.018 24.750 1.00 0.00 C ATOM 1471 C LYS A 93 4.428 -21.787 25.509 1.00 0.00 C ATOM 1472 O LYS A 93 3.272 -21.717 25.926 1.00 0.00 O ATOM 1473 CB LYS A 93 5.252 -24.132 25.743 1.00 0.00 C ATOM 1474 CG LYS A 93 3.982 -24.578 26.471 1.00 0.00 C ATOM 1475 CD LYS A 93 4.312 -25.735 27.415 1.00 0.00 C ATOM 1476 CE LYS A 93 3.038 -26.188 28.128 1.00 0.00 C ATOM 1477 NZ LYS A 93 3.355 -27.329 29.033 1.00 0.00 N ATOM 0 H LYS A 93 6.618 -21.890 24.274 1.00 0.00 H new ATOM 0 HA LYS A 93 4.116 -23.356 24.085 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.698 -24.977 25.218 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.990 -23.778 26.462 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.562 -23.745 27.034 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.227 -24.888 25.749 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.743 -26.565 26.854 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.059 -25.422 28.145 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.615 -25.362 28.700 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.286 -26.487 27.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.489 -27.638 29.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.739 -28.118 28.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.058 -27.028 29.738 1.00 0.00 H new ATOM 1491 N ASN A 94 5.320 -20.817 25.689 1.00 0.00 N ATOM 1492 CA ASN A 94 4.972 -19.593 26.405 1.00 0.00 C ATOM 1493 C ASN A 94 4.345 -18.578 25.455 1.00 0.00 C ATOM 1494 O ASN A 94 5.041 -17.933 24.671 1.00 0.00 O ATOM 1495 CB ASN A 94 6.224 -18.986 27.037 1.00 0.00 C ATOM 1496 CG ASN A 94 5.849 -17.759 27.860 1.00 0.00 C ATOM 1497 OD1 ASN A 94 4.746 -17.232 27.724 1.00 0.00 O ATOM 1498 ND2 ASN A 94 6.708 -17.270 28.712 1.00 0.00 N ATOM 0 H ASN A 94 6.282 -20.853 25.352 1.00 0.00 H new ATOM 0 HA ASN A 94 4.252 -19.843 27.184 1.00 0.00 H new ATOM 0 HB2 ASN A 94 6.715 -19.724 27.672 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.936 -18.709 26.260 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.465 -16.449 29.267 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.622 -17.709 28.823 1.00 0.00 H new ATOM 1505 N LYS A 95 3.024 -18.438 25.533 1.00 0.00 N ATOM 1506 CA LYS A 95 2.305 -17.496 24.676 1.00 0.00 C ATOM 1507 C LYS A 95 1.108 -16.909 25.414 1.00 0.00 C ATOM 1508 O LYS A 95 -0.031 -17.326 25.201 1.00 0.00 O ATOM 1509 CB LYS A 95 1.826 -18.209 23.410 1.00 0.00 C ATOM 1510 CG LYS A 95 1.200 -17.191 22.458 1.00 0.00 C ATOM 1511 CD LYS A 95 0.787 -17.888 21.160 1.00 0.00 C ATOM 1512 CE LYS A 95 0.177 -16.864 20.203 1.00 0.00 C ATOM 1513 NZ LYS A 95 -0.204 -17.540 18.931 1.00 0.00 N ATOM 0 H LYS A 95 2.431 -18.961 26.177 1.00 0.00 H new ATOM 0 HA LYS A 95 2.983 -16.687 24.405 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.663 -18.711 22.924 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.098 -18.979 23.667 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.332 -16.727 22.926 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.911 -16.393 22.244 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.653 -18.362 20.698 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.066 -18.678 21.372 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.699 -16.401 20.658 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.892 -16.066 20.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.619 -16.844 18.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.641 -17.962 18.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.900 -18.287 19.130 1.00 0.00 H new ATOM 1527 N TRP A 96 1.373 -15.939 26.284 1.00 0.00 N ATOM 1528 CA TRP A 96 0.310 -15.298 27.051 1.00 0.00 C ATOM 1529 C TRP A 96 -0.684 -16.334 27.568 1.00 0.00 C ATOM 1530 O TRP A 96 -1.857 -16.014 27.649 1.00 0.00 O ATOM 1531 CB TRP A 96 -0.420 -14.278 26.172 1.00 0.00 C ATOM 1532 CG TRP A 96 0.479 -13.114 25.906 1.00 0.00 C ATOM 1533 CD1 TRP A 96 1.029 -12.323 26.856 1.00 0.00 C ATOM 1534 CD2 TRP A 96 0.944 -12.597 24.625 1.00 0.00 C ATOM 1535 NE1 TRP A 96 1.798 -11.352 26.241 1.00 0.00 N ATOM 1536 CE2 TRP A 96 1.778 -11.480 24.866 1.00 0.00 C ATOM 1537 CE3 TRP A 96 0.724 -12.984 23.291 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 2.373 -10.771 23.821 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 1.320 -12.275 22.236 1.00 0.00 C ATOM 1540 CH2 TRP A 96 2.145 -11.171 22.501 1.00 0.00 C ATOM 1541 OXT TRP A 96 -0.255 -17.435 27.877 1.00 0.00 O ATOM 0 H TRP A 96 2.309 -15.581 26.475 1.00 0.00 H new ATOM 0 HA TRP A 96 0.758 -14.790 27.905 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.720 -14.741 25.232 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.331 -13.942 26.667 1.00 0.00 H new ATOM 0 HD1 TRP A 96 0.890 -12.432 27.921 1.00 0.00 H new ATOM 0 HE1 TRP A 96 2.316 -10.630 26.741 1.00 0.00 H new ATOM 0 HE3 TRP A 96 0.092 -13.833 23.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 3.004 -9.920 24.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 1.143 -12.581 21.215 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.603 -10.631 21.686 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -12.332 4.112 12.636 1.00 0.00 ZN HETATM 1554 O HOH A 301 -12.782 5.553 14.231 1.00 0.00 O