USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 829 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 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.035) USER MOD Set 2.1: A 46 CYS SG : rot -9:sc= -0.296 USER MOD Set 2.2: A 48 THR OG1 : rot 109:sc= 1.2 USER MOD Set 3.1: A 38 TYR OH : rot 180:sc= 0.159 USER MOD Set 3.2: A 42 LYS NZ :NH3+ 174:sc= 1.45 (180deg=0.643) USER MOD Set 4.1: A 35 TYR OH : rot 180:sc= 0.55 USER MOD Set 4.2: A 39 LYS NZ :NH3+ 180:sc= 0.601 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -128:sc= 0.774 (180deg=-2.09!) USER MOD Single : A 18 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-6.6!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc=-0.00302 X(o=-0.003,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.254 K(o=0.25,f=-8!) USER MOD Single : A 33 TYR OH : rot 100:sc= -0.802 USER MOD Single : A 40 GLN : amide:sc= -7.85! C(o=-7.9!,f=-11!) USER MOD Single : A 45 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.75) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0206) USER MOD Single : A 60 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -170:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 77 MET CE :methyl 167:sc=-0.00174 (180deg=-0.214) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -80:sc= -0.847 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=-0.00711 X(o=-0.0071,f=-0.38) USER MOD Single : A 94 GLN : amide:sc= -0.0121 K(o=-0.012,f=-0.75) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.307) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.246 25.095 -17.984 1.00 0.00 N ATOM 2 CA GLY A 1 -24.846 24.774 -17.777 1.00 0.00 C ATOM 3 C GLY A 1 -24.555 24.335 -16.356 1.00 0.00 C ATOM 4 O GLY A 1 -23.845 25.020 -15.620 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.392 25.389 -18.971 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.828 24.257 -17.783 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.522 25.869 -17.347 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.553 23.982 -18.466 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.237 25.646 -18.016 1.00 0.00 H new ATOM 8 N SER A 2 -25.107 23.190 -15.968 1.00 0.00 N ATOM 9 CA SER A 2 -24.908 22.662 -14.623 1.00 0.00 C ATOM 10 C SER A 2 -23.426 22.638 -14.263 1.00 0.00 C ATOM 11 O SER A 2 -22.563 22.801 -15.126 1.00 0.00 O ATOM 12 CB SER A 2 -25.494 21.254 -14.513 1.00 0.00 C ATOM 13 OG SER A 2 -24.905 20.380 -15.460 1.00 0.00 O ATOM 0 H SER A 2 -25.696 22.610 -16.566 1.00 0.00 H new ATOM 0 HA SER A 2 -25.424 23.318 -13.922 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.332 20.867 -13.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.572 21.292 -14.670 1.00 0.00 H new ATOM 0 HG SER A 2 -25.296 19.486 -15.368 1.00 0.00 H new ATOM 19 N SER A 3 -23.138 22.434 -12.981 1.00 0.00 N ATOM 20 CA SER A 3 -21.760 22.392 -12.505 1.00 0.00 C ATOM 21 C SER A 3 -20.850 21.726 -13.532 1.00 0.00 C ATOM 22 O SER A 3 -21.059 20.574 -13.910 1.00 0.00 O ATOM 23 CB SER A 3 -21.681 21.641 -11.174 1.00 0.00 C ATOM 24 OG SER A 3 -22.548 22.216 -10.212 1.00 0.00 O ATOM 0 H SER A 3 -23.840 22.295 -12.254 1.00 0.00 H new ATOM 0 HA SER A 3 -21.422 23.417 -12.357 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.945 20.595 -11.327 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.656 21.660 -10.802 1.00 0.00 H new ATOM 0 HG SER A 3 -22.480 21.717 -9.371 1.00 0.00 H new ATOM 30 N GLY A 4 -19.837 22.462 -13.981 1.00 0.00 N ATOM 31 CA GLY A 4 -18.909 21.928 -14.961 1.00 0.00 C ATOM 32 C GLY A 4 -17.479 22.360 -14.701 1.00 0.00 C ATOM 33 O GLY A 4 -16.912 23.142 -15.464 1.00 0.00 O ATOM 0 H GLY A 4 -19.643 23.418 -13.683 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.964 20.839 -14.953 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.209 22.255 -15.957 1.00 0.00 H new ATOM 37 N SER A 5 -16.896 21.851 -13.620 1.00 0.00 N ATOM 38 CA SER A 5 -15.526 22.194 -13.259 1.00 0.00 C ATOM 39 C SER A 5 -14.659 20.941 -13.165 1.00 0.00 C ATOM 40 O SER A 5 -15.170 19.829 -13.033 1.00 0.00 O ATOM 41 CB SER A 5 -15.500 22.946 -11.927 1.00 0.00 C ATOM 42 OG SER A 5 -16.332 24.092 -11.972 1.00 0.00 O ATOM 0 H SER A 5 -17.351 21.200 -12.980 1.00 0.00 H new ATOM 0 HA SER A 5 -15.121 22.838 -14.040 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.830 22.285 -11.126 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.478 23.244 -11.694 1.00 0.00 H new ATOM 0 HG SER A 5 -16.299 24.554 -11.108 1.00 0.00 H new ATOM 48 N SER A 6 -13.346 21.131 -13.235 1.00 0.00 N ATOM 49 CA SER A 6 -12.407 20.018 -13.163 1.00 0.00 C ATOM 50 C SER A 6 -11.918 19.811 -11.732 1.00 0.00 C ATOM 51 O SER A 6 -11.021 20.510 -11.264 1.00 0.00 O ATOM 52 CB SER A 6 -11.216 20.266 -14.090 1.00 0.00 C ATOM 53 OG SER A 6 -10.398 19.113 -14.190 1.00 0.00 O ATOM 0 H SER A 6 -12.908 22.046 -13.342 1.00 0.00 H new ATOM 0 HA SER A 6 -12.927 19.116 -13.485 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.574 20.548 -15.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.627 21.102 -13.714 1.00 0.00 H new ATOM 0 HG SER A 6 -9.645 19.297 -14.789 1.00 0.00 H new ATOM 59 N GLY A 7 -12.517 18.845 -11.042 1.00 0.00 N ATOM 60 CA GLY A 7 -12.131 18.563 -9.672 1.00 0.00 C ATOM 61 C GLY A 7 -11.394 17.246 -9.537 1.00 0.00 C ATOM 62 O GLY A 7 -11.974 16.178 -9.736 1.00 0.00 O ATOM 0 H GLY A 7 -13.263 18.253 -11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.498 19.370 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.021 18.544 -9.044 1.00 0.00 H new ATOM 66 N LEU A 8 -10.111 17.319 -9.200 1.00 0.00 N ATOM 67 CA LEU A 8 -9.292 16.122 -9.040 1.00 0.00 C ATOM 68 C LEU A 8 -9.325 15.629 -7.597 1.00 0.00 C ATOM 69 O LEU A 8 -9.357 14.425 -7.343 1.00 0.00 O ATOM 70 CB LEU A 8 -7.849 16.408 -9.461 1.00 0.00 C ATOM 71 CG LEU A 8 -7.045 15.206 -9.957 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.039 14.100 -8.913 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.607 14.694 -11.275 1.00 0.00 C ATOM 0 H LEU A 8 -9.615 18.194 -9.032 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.703 15.342 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.864 17.160 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.324 16.846 -8.612 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.017 15.526 -10.124 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.462 13.253 -9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.588 14.471 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.062 13.782 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.022 13.838 -11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.645 14.391 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.558 15.485 -12.023 1.00 0.00 H new ATOM 85 N ALA A 9 -9.318 16.567 -6.656 1.00 0.00 N ATOM 86 CA ALA A 9 -9.351 16.228 -5.239 1.00 0.00 C ATOM 87 C ALA A 9 -10.649 15.514 -4.875 1.00 0.00 C ATOM 88 O ALA A 9 -10.631 14.459 -4.244 1.00 0.00 O ATOM 89 CB ALA A 9 -9.181 17.481 -4.392 1.00 0.00 C ATOM 0 H ALA A 9 -9.290 17.568 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.523 15.549 -5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.208 17.213 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.224 17.950 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.989 18.179 -4.609 1.00 0.00 H new ATOM 95 N GLU A 10 -11.773 16.098 -5.278 1.00 0.00 N ATOM 96 CA GLU A 10 -13.080 15.517 -4.993 1.00 0.00 C ATOM 97 C GLU A 10 -13.062 14.007 -5.207 1.00 0.00 C ATOM 98 O GLU A 10 -13.699 13.255 -4.467 1.00 0.00 O ATOM 99 CB GLU A 10 -14.152 16.157 -5.878 1.00 0.00 C ATOM 100 CG GLU A 10 -13.803 16.150 -7.357 1.00 0.00 C ATOM 101 CD GLU A 10 -15.031 16.193 -8.246 1.00 0.00 C ATOM 102 OE1 GLU A 10 -16.022 15.506 -7.922 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.000 16.914 -9.265 1.00 0.00 O ATOM 0 H GLU A 10 -11.805 16.972 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.317 15.715 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.094 15.628 -5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.311 17.186 -5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.167 17.007 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.224 15.255 -7.586 1.00 0.00 H new ATOM 110 N LEU A 11 -12.330 13.568 -6.225 1.00 0.00 N ATOM 111 CA LEU A 11 -12.228 12.147 -6.539 1.00 0.00 C ATOM 112 C LEU A 11 -11.221 11.458 -5.625 1.00 0.00 C ATOM 113 O LEU A 11 -11.461 10.351 -5.142 1.00 0.00 O ATOM 114 CB LEU A 11 -11.822 11.956 -8.001 1.00 0.00 C ATOM 115 CG LEU A 11 -12.960 11.977 -9.022 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.082 11.045 -8.591 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.483 13.393 -9.209 1.00 0.00 C ATOM 0 H LEU A 11 -11.798 14.176 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.206 11.693 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.110 12.738 -8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.298 11.004 -8.090 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.571 11.626 -9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.883 11.073 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.699 10.028 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.469 11.365 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.292 13.388 -9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.855 13.772 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.677 14.035 -9.565 1.00 0.00 H new ATOM 129 N PHE A 12 -10.093 12.121 -5.389 1.00 0.00 N ATOM 130 CA PHE A 12 -9.049 11.573 -4.532 1.00 0.00 C ATOM 131 C PHE A 12 -9.632 11.087 -3.208 1.00 0.00 C ATOM 132 O PHE A 12 -9.250 10.034 -2.699 1.00 0.00 O ATOM 133 CB PHE A 12 -7.969 12.624 -4.271 1.00 0.00 C ATOM 134 CG PHE A 12 -6.963 12.207 -3.237 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.998 11.258 -3.533 1.00 0.00 C ATOM 136 CD2 PHE A 12 -6.983 12.764 -1.968 1.00 0.00 C ATOM 137 CE1 PHE A 12 -5.070 10.873 -2.583 1.00 0.00 C ATOM 138 CE2 PHE A 12 -6.058 12.383 -1.015 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.101 11.435 -1.322 1.00 0.00 C ATOM 0 H PHE A 12 -9.879 13.039 -5.780 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.601 10.723 -5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.450 12.839 -5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.445 13.550 -3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.970 10.814 -4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.730 13.504 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.322 10.133 -2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.083 12.826 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.379 11.134 -0.577 1.00 0.00 H new ATOM 149 N GLU A 13 -10.559 11.865 -2.656 1.00 0.00 N ATOM 150 CA GLU A 13 -11.193 11.515 -1.390 1.00 0.00 C ATOM 151 C GLU A 13 -12.013 10.235 -1.528 1.00 0.00 C ATOM 152 O GLU A 13 -11.812 9.272 -0.787 1.00 0.00 O ATOM 153 CB GLU A 13 -12.090 12.658 -0.910 1.00 0.00 C ATOM 154 CG GLU A 13 -11.330 13.936 -0.595 1.00 0.00 C ATOM 155 CD GLU A 13 -10.785 13.956 0.820 1.00 0.00 C ATOM 156 OE1 GLU A 13 -10.135 12.968 1.220 1.00 0.00 O ATOM 157 OE2 GLU A 13 -11.010 14.961 1.527 1.00 0.00 O ATOM 0 H GLU A 13 -10.887 12.740 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.407 11.346 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.837 12.869 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.629 12.336 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.506 14.047 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.990 14.792 -0.739 1.00 0.00 H new ATOM 164 N LYS A 14 -12.938 10.232 -2.482 1.00 0.00 N ATOM 165 CA LYS A 14 -13.789 9.071 -2.719 1.00 0.00 C ATOM 166 C LYS A 14 -12.949 7.823 -2.971 1.00 0.00 C ATOM 167 O LYS A 14 -13.080 6.823 -2.267 1.00 0.00 O ATOM 168 CB LYS A 14 -14.713 9.327 -3.911 1.00 0.00 C ATOM 169 CG LYS A 14 -15.953 10.130 -3.559 1.00 0.00 C ATOM 170 CD LYS A 14 -16.661 10.638 -4.803 1.00 0.00 C ATOM 171 CE LYS A 14 -16.051 11.941 -5.299 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.216 13.042 -4.310 1.00 0.00 N ATOM 0 H LYS A 14 -13.118 11.020 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.393 8.906 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.156 9.855 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.018 8.370 -4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.636 9.510 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.674 10.974 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.603 9.885 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.718 10.790 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.991 11.791 -5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.519 12.226 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.641 13.868 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.836 12.725 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.287 13.303 -3.923 1.00 0.00 H new ATOM 186 N ALA A 15 -12.086 7.891 -3.979 1.00 0.00 N ATOM 187 CA ALA A 15 -11.222 6.767 -4.322 1.00 0.00 C ATOM 188 C ALA A 15 -10.648 6.115 -3.069 1.00 0.00 C ATOM 189 O ALA A 15 -10.698 4.895 -2.915 1.00 0.00 O ATOM 190 CB ALA A 15 -10.100 7.225 -5.242 1.00 0.00 C ATOM 0 H ALA A 15 -11.966 8.712 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.824 6.023 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.463 6.376 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.525 7.639 -6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.507 7.989 -4.740 1.00 0.00 H new ATOM 196 N ALA A 16 -10.102 6.935 -2.178 1.00 0.00 N ATOM 197 CA ALA A 16 -9.519 6.437 -0.938 1.00 0.00 C ATOM 198 C ALA A 16 -10.446 5.434 -0.259 1.00 0.00 C ATOM 199 O ALA A 16 -10.013 4.366 0.170 1.00 0.00 O ATOM 200 CB ALA A 16 -9.210 7.593 0.002 1.00 0.00 C ATOM 0 H ALA A 16 -10.051 7.947 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.589 5.924 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.775 7.206 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.503 8.272 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.130 8.130 0.232 1.00 0.00 H new ATOM 206 N ALA A 17 -11.724 5.787 -0.165 1.00 0.00 N ATOM 207 CA ALA A 17 -12.712 4.918 0.461 1.00 0.00 C ATOM 208 C ALA A 17 -12.883 3.624 -0.328 1.00 0.00 C ATOM 209 O ALA A 17 -13.139 2.565 0.245 1.00 0.00 O ATOM 210 CB ALA A 17 -14.045 5.640 0.588 1.00 0.00 C ATOM 0 H ALA A 17 -12.099 6.669 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.354 4.661 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.774 4.979 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.918 6.533 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.400 5.926 -0.402 1.00 0.00 H new ATOM 216 N HIS A 18 -12.740 3.717 -1.646 1.00 0.00 N ATOM 217 CA HIS A 18 -12.879 2.553 -2.514 1.00 0.00 C ATOM 218 C HIS A 18 -11.692 1.608 -2.349 1.00 0.00 C ATOM 219 O HIS A 18 -11.832 0.390 -2.477 1.00 0.00 O ATOM 220 CB HIS A 18 -12.997 2.990 -3.974 1.00 0.00 C ATOM 221 CG HIS A 18 -13.691 1.988 -4.845 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.566 1.042 -4.354 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.636 1.790 -6.183 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.018 0.304 -5.352 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.469 0.737 -6.473 1.00 0.00 N ATOM 0 H HIS A 18 -12.528 4.586 -2.136 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.787 2.023 -2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.538 3.935 -4.019 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.999 3.175 -4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.047 2.355 -6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.718 -0.514 -5.266 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.636 0.352 -7.403 1.00 0.00 H new ATOM 234 N LEU A 19 -10.525 2.175 -2.065 1.00 0.00 N ATOM 235 CA LEU A 19 -9.314 1.383 -1.882 1.00 0.00 C ATOM 236 C LEU A 19 -9.582 0.176 -0.989 1.00 0.00 C ATOM 237 O LEU A 19 -9.267 -0.957 -1.351 1.00 0.00 O ATOM 238 CB LEU A 19 -8.204 2.244 -1.276 1.00 0.00 C ATOM 239 CG LEU A 19 -6.773 1.853 -1.647 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.774 2.776 -0.965 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.503 0.403 -1.275 1.00 0.00 C ATOM 0 H LEU A 19 -10.392 3.180 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.994 1.024 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.367 3.278 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.298 2.212 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.656 1.958 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.761 2.483 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.953 3.804 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.891 2.704 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.480 0.142 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.639 0.271 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.197 -0.245 -1.810 1.00 0.00 H new ATOM 253 N GLN A 20 -10.166 0.428 0.178 1.00 0.00 N ATOM 254 CA GLN A 20 -10.478 -0.639 1.122 1.00 0.00 C ATOM 255 C GLN A 20 -11.318 -1.725 0.458 1.00 0.00 C ATOM 256 O GLN A 20 -11.251 -2.893 0.836 1.00 0.00 O ATOM 257 CB GLN A 20 -11.218 -0.074 2.336 1.00 0.00 C ATOM 258 CG GLN A 20 -10.383 0.888 3.164 1.00 0.00 C ATOM 259 CD GLN A 20 -9.527 0.179 4.196 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.006 -0.192 5.268 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.252 -0.013 3.877 1.00 0.00 N ATOM 0 H GLN A 20 -10.433 1.361 0.492 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.539 -1.084 1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.118 0.439 1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.542 -0.899 2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.741 1.468 2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.043 1.594 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.897 0.311 2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.628 -0.484 4.532 1.00 0.00 H new ATOM 270 N GLY A 21 -12.111 -1.330 -0.533 1.00 0.00 N ATOM 271 CA GLY A 21 -12.954 -2.281 -1.233 1.00 0.00 C ATOM 272 C GLY A 21 -12.240 -2.942 -2.396 1.00 0.00 C ATOM 273 O GLY A 21 -12.721 -3.934 -2.946 1.00 0.00 O ATOM 0 H GLY A 21 -12.185 -0.368 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.290 -3.047 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.845 -1.771 -1.600 1.00 0.00 H new ATOM 277 N LEU A 22 -11.091 -2.393 -2.773 1.00 0.00 N ATOM 278 CA LEU A 22 -10.310 -2.934 -3.879 1.00 0.00 C ATOM 279 C LEU A 22 -9.050 -3.627 -3.369 1.00 0.00 C ATOM 280 O LEU A 22 -8.116 -3.877 -4.131 1.00 0.00 O ATOM 281 CB LEU A 22 -9.933 -1.820 -4.857 1.00 0.00 C ATOM 282 CG LEU A 22 -11.087 -0.957 -5.368 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.610 -0.031 -6.476 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.231 -1.832 -5.858 1.00 0.00 C ATOM 0 H LEU A 22 -10.679 -1.573 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.923 -3.671 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.206 -1.169 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.435 -2.271 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.452 -0.346 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.445 0.576 -6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.824 0.620 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.219 -0.624 -7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.043 -1.201 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.880 -2.469 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.591 -2.454 -5.038 1.00 0.00 H new ATOM 296 N ILE A 23 -9.034 -3.936 -2.077 1.00 0.00 N ATOM 297 CA ILE A 23 -7.890 -4.603 -1.466 1.00 0.00 C ATOM 298 C ILE A 23 -7.756 -6.036 -1.969 1.00 0.00 C ATOM 299 O ILE A 23 -6.649 -6.552 -2.113 1.00 0.00 O ATOM 300 CB ILE A 23 -8.002 -4.618 0.070 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.274 -3.208 0.598 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.733 -5.185 0.688 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.106 -2.263 0.426 1.00 0.00 C ATOM 0 H ILE A 23 -9.799 -3.736 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.004 -4.036 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.838 -5.258 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.142 -2.797 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.530 -3.268 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.828 -5.189 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.580 -6.204 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.881 -4.569 0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.370 -1.282 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.241 -2.651 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.864 -2.173 -0.633 1.00 0.00 H new ATOM 315 N GLN A 24 -8.892 -6.672 -2.237 1.00 0.00 N ATOM 316 CA GLN A 24 -8.901 -8.046 -2.726 1.00 0.00 C ATOM 317 C GLN A 24 -8.445 -8.109 -4.179 1.00 0.00 C ATOM 318 O GLN A 24 -8.088 -9.174 -4.683 1.00 0.00 O ATOM 319 CB GLN A 24 -10.301 -8.648 -2.591 1.00 0.00 C ATOM 320 CG GLN A 24 -10.894 -8.506 -1.199 1.00 0.00 C ATOM 321 CD GLN A 24 -12.340 -8.957 -1.131 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.673 -9.907 -0.423 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.207 -8.275 -1.869 1.00 0.00 N ATOM 0 H GLN A 24 -9.817 -6.258 -2.124 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.204 -8.626 -2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.965 -8.168 -3.310 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.259 -9.705 -2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.302 -9.090 -0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.827 -7.465 -0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.886 -7.494 -2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.194 -8.532 -1.864 1.00 0.00 H new ATOM 332 N VAL A 25 -8.459 -6.962 -4.850 1.00 0.00 N ATOM 333 CA VAL A 25 -8.046 -6.886 -6.246 1.00 0.00 C ATOM 334 C VAL A 25 -6.697 -6.189 -6.383 1.00 0.00 C ATOM 335 O VAL A 25 -6.014 -6.331 -7.397 1.00 0.00 O ATOM 336 CB VAL A 25 -9.087 -6.139 -7.100 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.357 -6.965 -7.239 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.392 -4.776 -6.496 1.00 0.00 C ATOM 0 H VAL A 25 -8.752 -6.071 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.960 -7.911 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.671 -5.986 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.081 -6.421 -7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.122 -7.915 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.779 -7.152 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.129 -4.262 -7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.787 -4.905 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.478 -4.184 -6.454 1.00 0.00 H new ATOM 348 N ALA A 26 -6.320 -5.436 -5.355 1.00 0.00 N ATOM 349 CA ALA A 26 -5.051 -4.718 -5.360 1.00 0.00 C ATOM 350 C ALA A 26 -3.907 -5.623 -4.914 1.00 0.00 C ATOM 351 O ALA A 26 -4.100 -6.532 -4.107 1.00 0.00 O ATOM 352 CB ALA A 26 -5.136 -3.491 -4.465 1.00 0.00 C ATOM 0 H ALA A 26 -6.875 -5.307 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.847 -4.396 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.182 -2.964 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.921 -2.829 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.366 -3.800 -3.445 1.00 0.00 H new ATOM 358 N SER A 27 -2.715 -5.367 -5.444 1.00 0.00 N ATOM 359 CA SER A 27 -1.541 -6.162 -5.104 1.00 0.00 C ATOM 360 C SER A 27 -0.633 -5.404 -4.140 1.00 0.00 C ATOM 361 O SER A 27 -0.636 -4.173 -4.106 1.00 0.00 O ATOM 362 CB SER A 27 -0.765 -6.532 -6.370 1.00 0.00 C ATOM 363 OG SER A 27 -1.437 -7.541 -7.103 1.00 0.00 O ATOM 0 H SER A 27 -2.537 -4.615 -6.110 1.00 0.00 H new ATOM 0 HA SER A 27 -1.880 -7.075 -4.615 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.639 -5.648 -6.994 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.233 -6.877 -6.101 1.00 0.00 H new ATOM 0 HG SER A 27 -0.922 -7.758 -7.908 1.00 0.00 H new ATOM 369 N ARG A 28 0.143 -6.148 -3.359 1.00 0.00 N ATOM 370 CA ARG A 28 1.055 -5.548 -2.394 1.00 0.00 C ATOM 371 C ARG A 28 1.632 -4.241 -2.930 1.00 0.00 C ATOM 372 O ARG A 28 1.711 -3.246 -2.211 1.00 0.00 O ATOM 373 CB ARG A 28 2.189 -6.519 -2.060 1.00 0.00 C ATOM 374 CG ARG A 28 2.942 -7.020 -3.282 1.00 0.00 C ATOM 375 CD ARG A 28 3.566 -8.384 -3.031 1.00 0.00 C ATOM 376 NE ARG A 28 2.564 -9.446 -2.998 1.00 0.00 N ATOM 377 CZ ARG A 28 2.820 -10.685 -2.592 1.00 0.00 C ATOM 378 NH1 ARG A 28 4.038 -11.015 -2.186 1.00 0.00 N ATOM 379 NH2 ARG A 28 1.855 -11.596 -2.592 1.00 0.00 N ATOM 0 H ARG A 28 0.158 -7.168 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 28 0.492 -5.331 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.891 -6.026 -1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.778 -7.373 -1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.261 -7.081 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.721 -6.306 -3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.296 -8.598 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.107 -8.367 -2.085 1.00 0.00 H new ATOM 0 HE ARG A 28 1.616 -9.225 -3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.782 -10.317 -2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.231 -11.967 -1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.917 -11.345 -2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.052 -12.547 -2.280 1.00 0.00 H new ATOM 393 N GLU A 29 2.032 -4.253 -4.198 1.00 0.00 N ATOM 394 CA GLU A 29 2.602 -3.068 -4.829 1.00 0.00 C ATOM 395 C GLU A 29 1.604 -1.914 -4.821 1.00 0.00 C ATOM 396 O GLU A 29 1.843 -0.880 -4.198 1.00 0.00 O ATOM 397 CB GLU A 29 3.024 -3.382 -6.266 1.00 0.00 C ATOM 398 CG GLU A 29 4.438 -3.927 -6.381 1.00 0.00 C ATOM 399 CD GLU A 29 5.078 -3.611 -7.719 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.683 -2.527 -7.847 1.00 0.00 O ATOM 401 OE2 GLU A 29 4.973 -4.450 -8.638 1.00 0.00 O ATOM 0 H GLU A 29 1.972 -5.069 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 29 3.480 -2.770 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.329 -4.107 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.943 -2.475 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.050 -3.509 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.420 -5.007 -6.237 1.00 0.00 H new ATOM 408 N GLN A 30 0.488 -2.099 -5.517 1.00 0.00 N ATOM 409 CA GLN A 30 -0.545 -1.073 -5.591 1.00 0.00 C ATOM 410 C GLN A 30 -0.798 -0.456 -4.220 1.00 0.00 C ATOM 411 O GLN A 30 -0.808 0.767 -4.070 1.00 0.00 O ATOM 412 CB GLN A 30 -1.843 -1.665 -6.145 1.00 0.00 C ATOM 413 CG GLN A 30 -1.947 -1.592 -7.660 1.00 0.00 C ATOM 414 CD GLN A 30 -1.286 -2.771 -8.347 1.00 0.00 C ATOM 415 OE1 GLN A 30 -0.394 -3.410 -7.788 1.00 0.00 O ATOM 416 NE2 GLN A 30 -1.721 -3.065 -9.567 1.00 0.00 N ATOM 0 H GLN A 30 0.276 -2.950 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.196 -0.289 -6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.919 -2.707 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.690 -1.138 -5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.998 -1.551 -7.947 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.486 -0.668 -8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.463 -2.508 -9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.314 -3.847 -10.079 1.00 0.00 H new ATOM 425 N LEU A 31 -1.004 -1.308 -3.222 1.00 0.00 N ATOM 426 CA LEU A 31 -1.257 -0.846 -1.862 1.00 0.00 C ATOM 427 C LEU A 31 -0.263 0.238 -1.460 1.00 0.00 C ATOM 428 O LEU A 31 -0.600 1.161 -0.718 1.00 0.00 O ATOM 429 CB LEU A 31 -1.176 -2.018 -0.881 1.00 0.00 C ATOM 430 CG LEU A 31 -2.433 -2.880 -0.760 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.617 -2.037 -0.311 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.737 -3.569 -2.082 1.00 0.00 C ATOM 0 H LEU A 31 -1.001 -2.322 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.260 -0.422 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.347 -2.660 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.934 -1.624 0.106 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.253 -3.647 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.503 -2.667 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.399 -1.591 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.799 -1.247 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.635 -4.178 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.897 -2.818 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.898 -4.205 -2.362 1.00 0.00 H new ATOM 444 N LEU A 32 0.964 0.121 -1.956 1.00 0.00 N ATOM 445 CA LEU A 32 2.009 1.093 -1.651 1.00 0.00 C ATOM 446 C LEU A 32 1.929 2.291 -2.591 1.00 0.00 C ATOM 447 O LEU A 32 1.990 3.441 -2.155 1.00 0.00 O ATOM 448 CB LEU A 32 3.387 0.438 -1.755 1.00 0.00 C ATOM 449 CG LEU A 32 4.481 1.031 -0.866 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.497 0.343 0.490 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.839 0.914 -1.541 1.00 0.00 C ATOM 0 H LEU A 32 1.260 -0.637 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 32 1.858 1.446 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.284 -0.620 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.718 0.497 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 32 4.264 2.088 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.282 0.778 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.532 0.479 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.689 -0.722 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.605 1.341 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.064 -0.136 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.822 1.453 -2.488 1.00 0.00 H new ATOM 463 N TYR A 33 1.791 2.014 -3.883 1.00 0.00 N ATOM 464 CA TYR A 33 1.704 3.069 -4.886 1.00 0.00 C ATOM 465 C TYR A 33 0.721 4.153 -4.452 1.00 0.00 C ATOM 466 O TYR A 33 0.945 5.341 -4.687 1.00 0.00 O ATOM 467 CB TYR A 33 1.274 2.487 -6.233 1.00 0.00 C ATOM 468 CG TYR A 33 1.344 3.479 -7.372 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.560 3.812 -7.956 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.194 4.086 -7.862 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.628 4.719 -8.996 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.253 4.992 -8.903 1.00 0.00 C ATOM 473 CZ TYR A 33 1.472 5.306 -9.466 1.00 0.00 C ATOM 474 OH TYR A 33 1.535 6.210 -10.502 1.00 0.00 O ATOM 0 H TYR A 33 1.737 1.068 -4.260 1.00 0.00 H new ATOM 0 HA TYR A 33 2.692 3.518 -4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.907 1.631 -6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.253 2.115 -6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.467 3.354 -7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.762 3.845 -7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.581 4.967 -9.439 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.651 5.452 -9.274 1.00 0.00 H new ATOM 0 HH TYR A 33 1.290 5.765 -11.340 1.00 0.00 H new ATOM 484 N LEU A 34 -0.367 3.735 -3.815 1.00 0.00 N ATOM 485 CA LEU A 34 -1.385 4.669 -3.345 1.00 0.00 C ATOM 486 C LEU A 34 -0.972 5.304 -2.022 1.00 0.00 C ATOM 487 O LEU A 34 -1.433 6.391 -1.673 1.00 0.00 O ATOM 488 CB LEU A 34 -2.727 3.952 -3.184 1.00 0.00 C ATOM 489 CG LEU A 34 -3.149 3.049 -4.343 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.544 2.492 -4.105 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.094 3.810 -5.659 1.00 0.00 C ATOM 0 H LEU A 34 -0.567 2.756 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.489 5.459 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.688 3.350 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.502 4.704 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.451 2.213 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.827 1.852 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.551 1.910 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.255 3.314 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.398 3.152 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.768 4.665 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.077 4.159 -5.835 1.00 0.00 H new ATOM 503 N TYR A 35 -0.100 4.620 -1.290 1.00 0.00 N ATOM 504 CA TYR A 35 0.375 5.118 -0.004 1.00 0.00 C ATOM 505 C TYR A 35 1.340 6.284 -0.194 1.00 0.00 C ATOM 506 O TYR A 35 1.236 7.307 0.482 1.00 0.00 O ATOM 507 CB TYR A 35 1.060 3.996 0.779 1.00 0.00 C ATOM 508 CG TYR A 35 1.858 4.486 1.966 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.017 5.232 1.789 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.454 4.203 3.265 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.750 5.682 2.870 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.179 4.650 4.352 1.00 0.00 C ATOM 513 CZ TYR A 35 3.326 5.389 4.150 1.00 0.00 C ATOM 514 OH TYR A 35 4.052 5.834 5.231 1.00 0.00 O ATOM 0 H TYR A 35 0.292 3.719 -1.565 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.487 5.473 0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.303 3.292 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.722 3.448 0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.351 5.464 0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.557 3.623 3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.649 6.259 2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.850 4.422 5.355 1.00 0.00 H new ATOM 0 HH TYR A 35 3.617 5.543 6.059 1.00 0.00 H new ATOM 524 N ALA A 36 2.279 6.121 -1.121 1.00 0.00 N ATOM 525 CA ALA A 36 3.262 7.160 -1.403 1.00 0.00 C ATOM 526 C ALA A 36 2.584 8.447 -1.861 1.00 0.00 C ATOM 527 O ALA A 36 2.657 9.473 -1.184 1.00 0.00 O ATOM 528 CB ALA A 36 4.251 6.679 -2.454 1.00 0.00 C ATOM 0 H ALA A 36 2.379 5.280 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 36 3.803 7.374 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.979 7.465 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.767 5.791 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.717 6.436 -3.372 1.00 0.00 H new ATOM 534 N ARG A 37 1.926 8.386 -3.014 1.00 0.00 N ATOM 535 CA ARG A 37 1.237 9.547 -3.563 1.00 0.00 C ATOM 536 C ARG A 37 0.344 10.197 -2.510 1.00 0.00 C ATOM 537 O ARG A 37 0.300 11.422 -2.388 1.00 0.00 O ATOM 538 CB ARG A 37 0.400 9.144 -4.778 1.00 0.00 C ATOM 539 CG ARG A 37 1.181 8.362 -5.822 1.00 0.00 C ATOM 540 CD ARG A 37 0.400 8.235 -7.121 1.00 0.00 C ATOM 541 NE ARG A 37 0.658 9.352 -8.026 1.00 0.00 N ATOM 542 CZ ARG A 37 1.854 9.626 -8.534 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.897 8.867 -8.228 1.00 0.00 N ATOM 544 NH2 ARG A 37 2.009 10.660 -9.351 1.00 0.00 N ATOM 0 H ARG A 37 1.856 7.544 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 37 1.990 10.271 -3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.446 8.543 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.010 10.042 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.132 8.859 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.413 7.369 -5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.666 7.300 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.666 8.186 -6.900 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.124 9.955 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.782 8.071 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.815 9.079 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.209 11.246 -9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.928 10.869 -9.740 1.00 0.00 H new ATOM 558 N TYR A 38 -0.367 9.370 -1.753 1.00 0.00 N ATOM 559 CA TYR A 38 -1.262 9.863 -0.712 1.00 0.00 C ATOM 560 C TYR A 38 -0.497 10.689 0.317 1.00 0.00 C ATOM 561 O TYR A 38 -0.939 11.765 0.722 1.00 0.00 O ATOM 562 CB TYR A 38 -1.970 8.696 -0.023 1.00 0.00 C ATOM 563 CG TYR A 38 -2.855 9.119 1.128 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.308 9.596 2.312 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.239 9.041 1.030 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.112 9.983 3.366 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.051 9.427 2.079 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.484 9.897 3.244 1.00 0.00 C ATOM 569 OH TYR A 38 -5.290 10.282 4.291 1.00 0.00 O ATOM 0 H TYR A 38 -0.341 8.354 -1.840 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.008 10.503 -1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.574 8.163 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.222 7.994 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.235 9.666 2.410 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.687 8.673 0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.670 10.351 4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.125 9.361 1.987 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.230 10.160 4.042 1.00 0.00 H new ATOM 579 N LYS A 39 0.655 10.178 0.738 1.00 0.00 N ATOM 580 CA LYS A 39 1.486 10.866 1.719 1.00 0.00 C ATOM 581 C LYS A 39 2.138 12.102 1.108 1.00 0.00 C ATOM 582 O LYS A 39 2.667 12.953 1.823 1.00 0.00 O ATOM 583 CB LYS A 39 2.562 9.922 2.259 1.00 0.00 C ATOM 584 CG LYS A 39 2.045 8.937 3.292 1.00 0.00 C ATOM 585 CD LYS A 39 1.992 9.559 4.678 1.00 0.00 C ATOM 586 CE LYS A 39 3.387 9.770 5.247 1.00 0.00 C ATOM 587 NZ LYS A 39 3.802 8.647 6.131 1.00 0.00 N ATOM 0 H LYS A 39 1.035 9.288 0.415 1.00 0.00 H new ATOM 0 HA LYS A 39 0.845 11.184 2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.998 9.368 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.363 10.514 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.049 8.598 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.688 8.057 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.469 10.514 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.419 8.915 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.101 9.871 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.412 10.703 5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.758 8.829 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.136 8.566 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.803 7.760 5.588 1.00 0.00 H new ATOM 601 N GLN A 40 2.097 12.194 -0.218 1.00 0.00 N ATOM 602 CA GLN A 40 2.684 13.327 -0.923 1.00 0.00 C ATOM 603 C GLN A 40 1.686 14.475 -1.035 1.00 0.00 C ATOM 604 O GLN A 40 2.047 15.642 -0.883 1.00 0.00 O ATOM 605 CB GLN A 40 3.147 12.901 -2.318 1.00 0.00 C ATOM 606 CG GLN A 40 3.869 14.000 -3.081 1.00 0.00 C ATOM 607 CD GLN A 40 5.215 14.345 -2.475 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.745 13.602 -1.649 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.776 15.476 -2.884 1.00 0.00 N ATOM 0 H GLN A 40 1.664 11.498 -0.825 1.00 0.00 H new ATOM 0 HA GLN A 40 3.545 13.673 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.809 12.040 -2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.281 12.577 -2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.010 13.686 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.245 14.893 -3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.301 16.062 -3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.682 15.760 -2.512 1.00 0.00 H new ATOM 618 N VAL A 41 0.429 14.136 -1.302 1.00 0.00 N ATOM 619 CA VAL A 41 -0.622 15.139 -1.434 1.00 0.00 C ATOM 620 C VAL A 41 -0.964 15.756 -0.082 1.00 0.00 C ATOM 621 O VAL A 41 -1.439 16.890 -0.007 1.00 0.00 O ATOM 622 CB VAL A 41 -1.899 14.536 -2.049 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.547 13.573 -3.172 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.729 13.842 -0.980 1.00 0.00 C ATOM 0 H VAL A 41 0.113 13.175 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.239 15.914 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.496 15.345 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.462 13.157 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.998 14.105 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.929 12.766 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.627 13.422 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.143 13.042 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.012 14.564 -0.214 1.00 0.00 H new ATOM 634 N LYS A 42 -0.720 15.003 0.985 1.00 0.00 N ATOM 635 CA LYS A 42 -1.001 15.475 2.335 1.00 0.00 C ATOM 636 C LYS A 42 0.204 16.207 2.917 1.00 0.00 C ATOM 637 O LYS A 42 0.085 17.334 3.399 1.00 0.00 O ATOM 638 CB LYS A 42 -1.383 14.301 3.239 1.00 0.00 C ATOM 639 CG LYS A 42 -2.610 13.542 2.766 1.00 0.00 C ATOM 640 CD LYS A 42 -3.880 14.351 2.974 1.00 0.00 C ATOM 641 CE LYS A 42 -5.037 13.791 2.161 1.00 0.00 C ATOM 642 NZ LYS A 42 -5.800 12.760 2.919 1.00 0.00 N ATOM 0 H LYS A 42 -0.328 14.062 0.941 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.837 16.172 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.541 13.612 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.563 14.674 4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.503 13.297 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.686 12.598 3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.144 14.351 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.703 15.388 2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.707 14.602 1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.655 13.355 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.638 12.477 2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.195 11.930 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.100 13.153 3.834 1.00 0.00 H new ATOM 656 N VAL A 43 1.364 15.560 2.867 1.00 0.00 N ATOM 657 CA VAL A 43 2.592 16.151 3.387 1.00 0.00 C ATOM 658 C VAL A 43 3.286 16.998 2.326 1.00 0.00 C ATOM 659 O VAL A 43 3.355 18.221 2.439 1.00 0.00 O ATOM 660 CB VAL A 43 3.568 15.070 3.885 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.709 15.700 4.670 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.835 14.039 4.730 1.00 0.00 C ATOM 0 H VAL A 43 1.479 14.627 2.472 1.00 0.00 H new ATOM 0 HA VAL A 43 2.307 16.786 4.226 1.00 0.00 H new ATOM 0 HB VAL A 43 3.992 14.562 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.388 14.920 5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.250 16.396 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.307 16.236 5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.540 13.282 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.382 14.530 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.057 13.565 4.132 1.00 0.00 H new ATOM 672 N GLY A 44 3.801 16.337 1.293 1.00 0.00 N ATOM 673 CA GLY A 44 4.484 17.044 0.226 1.00 0.00 C ATOM 674 C GLY A 44 5.950 16.671 0.128 1.00 0.00 C ATOM 675 O GLY A 44 6.294 15.613 -0.397 1.00 0.00 O ATOM 0 H GLY A 44 3.757 15.325 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.993 16.826 -0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.396 18.118 0.391 1.00 0.00 H new ATOM 679 N ASN A 45 6.816 17.543 0.633 1.00 0.00 N ATOM 680 CA ASN A 45 8.253 17.301 0.598 1.00 0.00 C ATOM 681 C ASN A 45 8.677 16.378 1.736 1.00 0.00 C ATOM 682 O ASN A 45 8.623 16.754 2.908 1.00 0.00 O ATOM 683 CB ASN A 45 9.017 18.624 0.688 1.00 0.00 C ATOM 684 CG ASN A 45 8.982 19.401 -0.614 1.00 0.00 C ATOM 685 OD1 ASN A 45 8.003 20.086 -0.914 1.00 0.00 O ATOM 686 ND2 ASN A 45 10.052 19.299 -1.394 1.00 0.00 N ATOM 0 H ASN A 45 6.547 18.424 1.071 1.00 0.00 H new ATOM 0 HA ASN A 45 8.491 16.815 -0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.589 19.234 1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.053 18.424 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.085 19.800 -2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.840 18.720 -1.105 1.00 0.00 H new ATOM 693 N CYS A 46 9.099 15.169 1.384 1.00 0.00 N ATOM 694 CA CYS A 46 9.533 14.191 2.376 1.00 0.00 C ATOM 695 C CYS A 46 10.375 14.854 3.461 1.00 0.00 C ATOM 696 O CYS A 46 11.478 15.331 3.200 1.00 0.00 O ATOM 697 CB CYS A 46 10.332 13.073 1.705 1.00 0.00 C ATOM 698 SG CYS A 46 10.528 11.592 2.723 1.00 0.00 S ATOM 0 H CYS A 46 9.150 14.842 0.419 1.00 0.00 H new ATOM 0 HA CYS A 46 8.645 13.764 2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.839 12.797 0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.319 13.454 1.443 1.00 0.00 H new ATOM 0 HG CYS A 46 10.102 11.834 3.927 1.00 0.00 H new ATOM 704 N ASN A 47 9.845 14.881 4.680 1.00 0.00 N ATOM 705 CA ASN A 47 10.547 15.487 5.805 1.00 0.00 C ATOM 706 C ASN A 47 10.690 14.496 6.955 1.00 0.00 C ATOM 707 O ASN A 47 10.594 14.866 8.126 1.00 0.00 O ATOM 708 CB ASN A 47 9.803 16.736 6.283 1.00 0.00 C ATOM 709 CG ASN A 47 8.298 16.549 6.282 1.00 0.00 C ATOM 710 OD1 ASN A 47 7.585 17.170 5.494 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.808 15.689 7.167 1.00 0.00 N ATOM 0 H ASN A 47 8.932 14.490 4.913 1.00 0.00 H new ATOM 0 HA ASN A 47 11.544 15.772 5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.134 16.990 7.290 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.062 17.578 5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.803 15.521 7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.437 15.196 7.801 1.00 0.00 H new ATOM 718 N THR A 48 10.921 13.231 6.614 1.00 0.00 N ATOM 719 CA THR A 48 11.078 12.186 7.617 1.00 0.00 C ATOM 720 C THR A 48 12.430 11.495 7.485 1.00 0.00 C ATOM 721 O THR A 48 12.970 11.339 6.389 1.00 0.00 O ATOM 722 CB THR A 48 9.962 11.130 7.507 1.00 0.00 C ATOM 723 OG1 THR A 48 9.835 10.690 6.150 1.00 0.00 O ATOM 724 CG2 THR A 48 8.633 11.695 7.988 1.00 0.00 C ATOM 0 H THR A 48 11.003 12.907 5.650 1.00 0.00 H new ATOM 0 HA THR A 48 11.015 12.671 8.591 1.00 0.00 H new ATOM 0 HB THR A 48 10.230 10.284 8.139 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.167 9.771 6.072 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.860 10.931 7.901 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.724 12.002 9.030 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.362 12.557 7.378 1.00 0.00 H new ATOM 732 N PRO A 49 12.992 11.068 8.626 1.00 0.00 N ATOM 733 CA PRO A 49 14.288 10.385 8.663 1.00 0.00 C ATOM 734 C PRO A 49 14.224 8.987 8.056 1.00 0.00 C ATOM 735 O PRO A 49 13.238 8.270 8.225 1.00 0.00 O ATOM 736 CB PRO A 49 14.605 10.305 10.158 1.00 0.00 C ATOM 737 CG PRO A 49 13.276 10.348 10.829 1.00 0.00 C ATOM 738 CD PRO A 49 12.404 11.219 9.967 1.00 0.00 C ATOM 0 HA PRO A 49 15.044 10.913 8.081 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.142 9.388 10.401 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.235 11.136 10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.855 9.347 10.925 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.361 10.756 11.836 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.364 10.894 9.989 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.420 12.257 10.298 1.00 0.00 H new ATOM 746 N LYS A 50 15.283 8.604 7.350 1.00 0.00 N ATOM 747 CA LYS A 50 15.349 7.291 6.720 1.00 0.00 C ATOM 748 C LYS A 50 15.093 6.185 7.739 1.00 0.00 C ATOM 749 O LYS A 50 15.700 6.141 8.809 1.00 0.00 O ATOM 750 CB LYS A 50 16.715 7.087 6.062 1.00 0.00 C ATOM 751 CG LYS A 50 16.744 5.943 5.062 1.00 0.00 C ATOM 752 CD LYS A 50 17.892 6.091 4.079 1.00 0.00 C ATOM 753 CE LYS A 50 17.599 5.377 2.768 1.00 0.00 C ATOM 754 NZ LYS A 50 18.024 3.950 2.807 1.00 0.00 N ATOM 0 H LYS A 50 16.108 9.185 7.200 1.00 0.00 H new ATOM 0 HA LYS A 50 14.573 7.243 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.007 8.008 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.458 6.900 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.839 4.996 5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.800 5.910 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.073 7.148 3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.804 5.687 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.531 5.432 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.113 5.887 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.807 3.498 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.047 3.897 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.514 3.457 3.568 1.00 0.00 H new ATOM 768 N PRO A 51 14.174 5.269 7.400 1.00 0.00 N ATOM 769 CA PRO A 51 13.818 4.145 8.272 1.00 0.00 C ATOM 770 C PRO A 51 14.942 3.120 8.383 1.00 0.00 C ATOM 771 O PRO A 51 15.782 3.006 7.490 1.00 0.00 O ATOM 772 CB PRO A 51 12.600 3.530 7.578 1.00 0.00 C ATOM 773 CG PRO A 51 12.748 3.909 6.145 1.00 0.00 C ATOM 774 CD PRO A 51 13.411 5.259 6.141 1.00 0.00 C ATOM 0 HA PRO A 51 13.625 4.467 9.295 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.579 2.447 7.701 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.670 3.916 7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.350 3.177 5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.778 3.949 5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.062 5.384 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.679 6.066 6.109 1.00 0.00 H new ATOM 782 N SER A 52 14.951 2.375 9.484 1.00 0.00 N ATOM 783 CA SER A 52 15.974 1.362 9.713 1.00 0.00 C ATOM 784 C SER A 52 16.037 0.380 8.547 1.00 0.00 C ATOM 785 O SER A 52 15.068 0.217 7.805 1.00 0.00 O ATOM 786 CB SER A 52 15.692 0.607 11.014 1.00 0.00 C ATOM 787 OG SER A 52 16.891 0.125 11.594 1.00 0.00 O ATOM 0 H SER A 52 14.261 2.454 10.231 1.00 0.00 H new ATOM 0 HA SER A 52 16.937 1.866 9.794 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.183 1.266 11.718 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.019 -0.227 10.815 1.00 0.00 H new ATOM 0 HG SER A 52 16.684 -0.352 12.425 1.00 0.00 H new ATOM 793 N PHE A 53 17.185 -0.271 8.391 1.00 0.00 N ATOM 794 CA PHE A 53 17.377 -1.236 7.314 1.00 0.00 C ATOM 795 C PHE A 53 16.514 -2.475 7.535 1.00 0.00 C ATOM 796 O PHE A 53 15.901 -2.992 6.601 1.00 0.00 O ATOM 797 CB PHE A 53 18.850 -1.637 7.217 1.00 0.00 C ATOM 798 CG PHE A 53 19.133 -2.615 6.113 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.793 -2.319 4.803 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.740 -3.830 6.386 1.00 0.00 C ATOM 801 CE1 PHE A 53 19.052 -3.218 3.786 1.00 0.00 C ATOM 802 CE2 PHE A 53 20.002 -4.733 5.372 1.00 0.00 C ATOM 803 CZ PHE A 53 19.658 -4.426 4.070 1.00 0.00 C ATOM 0 H PHE A 53 17.997 -0.148 8.997 1.00 0.00 H new ATOM 0 HA PHE A 53 17.074 -0.765 6.379 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.453 -0.742 7.062 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.163 -2.072 8.166 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.320 -1.375 4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 53 20.012 -4.075 7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.781 -2.976 2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 53 20.475 -5.677 5.598 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.862 -5.129 3.276 1.00 0.00 H new ATOM 813 N PHE A 54 16.472 -2.946 8.777 1.00 0.00 N ATOM 814 CA PHE A 54 15.686 -4.125 9.121 1.00 0.00 C ATOM 815 C PHE A 54 14.194 -3.853 8.951 1.00 0.00 C ATOM 816 O PHE A 54 13.426 -4.746 8.592 1.00 0.00 O ATOM 817 CB PHE A 54 15.977 -4.556 10.560 1.00 0.00 C ATOM 818 CG PHE A 54 17.096 -5.551 10.673 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.416 -5.146 10.558 1.00 0.00 C ATOM 820 CD2 PHE A 54 16.828 -6.892 10.895 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.448 -6.059 10.662 1.00 0.00 C ATOM 822 CE2 PHE A 54 17.856 -7.810 11.000 1.00 0.00 C ATOM 823 CZ PHE A 54 19.167 -7.393 10.883 1.00 0.00 C ATOM 0 H PHE A 54 16.973 -2.529 9.562 1.00 0.00 H new ATOM 0 HA PHE A 54 15.970 -4.930 8.444 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.224 -3.675 11.152 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.074 -4.987 10.992 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.641 -4.104 10.385 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.804 -7.224 10.987 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.473 -5.730 10.571 1.00 0.00 H new ATOM 0 HE2 PHE A 54 17.634 -8.853 11.173 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.972 -8.109 10.964 1.00 0.00 H new ATOM 833 N ASP A 55 13.792 -2.614 9.212 1.00 0.00 N ATOM 834 CA ASP A 55 12.392 -2.223 9.088 1.00 0.00 C ATOM 835 C ASP A 55 12.005 -2.048 7.622 1.00 0.00 C ATOM 836 O ASP A 55 11.886 -0.926 7.131 1.00 0.00 O ATOM 837 CB ASP A 55 12.133 -0.926 9.855 1.00 0.00 C ATOM 838 CG ASP A 55 11.852 -1.169 11.325 1.00 0.00 C ATOM 839 OD1 ASP A 55 10.671 -1.361 11.679 1.00 0.00 O ATOM 840 OD2 ASP A 55 12.814 -1.165 12.121 1.00 0.00 O ATOM 0 H ASP A 55 14.415 -1.864 9.511 1.00 0.00 H new ATOM 0 HA ASP A 55 11.779 -3.017 9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.998 -0.270 9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.286 -0.405 9.407 1.00 0.00 H new ATOM 845 N PHE A 56 11.810 -3.166 6.930 1.00 0.00 N ATOM 846 CA PHE A 56 11.438 -3.136 5.520 1.00 0.00 C ATOM 847 C PHE A 56 10.046 -2.538 5.337 1.00 0.00 C ATOM 848 O PHE A 56 9.872 -1.553 4.620 1.00 0.00 O ATOM 849 CB PHE A 56 11.480 -4.547 4.930 1.00 0.00 C ATOM 850 CG PHE A 56 12.409 -5.475 5.660 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.969 -6.192 6.761 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.722 -5.629 5.246 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.821 -7.046 7.435 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.579 -6.482 5.916 1.00 0.00 C ATOM 855 CZ PHE A 56 14.128 -7.191 7.012 1.00 0.00 C ATOM 0 H PHE A 56 11.903 -4.103 7.322 1.00 0.00 H new ATOM 0 HA PHE A 56 12.156 -2.507 4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.475 -4.968 4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.786 -4.487 3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.948 -6.082 7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.080 -5.076 4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.465 -7.599 8.292 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.600 -6.594 5.583 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.796 -7.858 7.537 1.00 0.00 H new ATOM 865 N GLU A 57 9.058 -3.141 5.992 1.00 0.00 N ATOM 866 CA GLU A 57 7.682 -2.669 5.900 1.00 0.00 C ATOM 867 C GLU A 57 7.631 -1.144 5.865 1.00 0.00 C ATOM 868 O GLU A 57 6.931 -0.553 5.044 1.00 0.00 O ATOM 869 CB GLU A 57 6.860 -3.191 7.080 1.00 0.00 C ATOM 870 CG GLU A 57 7.055 -4.673 7.349 1.00 0.00 C ATOM 871 CD GLU A 57 6.090 -5.210 8.388 1.00 0.00 C ATOM 872 OE1 GLU A 57 5.856 -4.513 9.397 1.00 0.00 O ATOM 873 OE2 GLU A 57 5.568 -6.327 8.191 1.00 0.00 O ATOM 0 H GLU A 57 9.185 -3.956 6.591 1.00 0.00 H new ATOM 0 HA GLU A 57 7.255 -3.051 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.128 -2.630 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.804 -3.001 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.927 -5.227 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.077 -4.846 7.685 1.00 0.00 H new ATOM 880 N GLY A 58 8.379 -0.512 6.765 1.00 0.00 N ATOM 881 CA GLY A 58 8.405 0.938 6.822 1.00 0.00 C ATOM 882 C GLY A 58 9.345 1.542 5.797 1.00 0.00 C ATOM 883 O GLY A 58 9.200 2.704 5.418 1.00 0.00 O ATOM 0 H GLY A 58 8.967 -0.978 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.398 1.323 6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.709 1.254 7.820 1.00 0.00 H new ATOM 887 N LYS A 59 10.314 0.751 5.348 1.00 0.00 N ATOM 888 CA LYS A 59 11.283 1.213 4.361 1.00 0.00 C ATOM 889 C LYS A 59 10.610 1.468 3.016 1.00 0.00 C ATOM 890 O LYS A 59 10.547 2.605 2.550 1.00 0.00 O ATOM 891 CB LYS A 59 12.404 0.185 4.196 1.00 0.00 C ATOM 892 CG LYS A 59 13.651 0.745 3.534 1.00 0.00 C ATOM 893 CD LYS A 59 14.843 -0.180 3.717 1.00 0.00 C ATOM 894 CE LYS A 59 14.633 -1.507 3.004 1.00 0.00 C ATOM 895 NZ LYS A 59 14.749 -1.367 1.526 1.00 0.00 N ATOM 0 H LYS A 59 10.449 -0.213 5.652 1.00 0.00 H new ATOM 0 HA LYS A 59 11.709 2.151 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.670 -0.211 5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.034 -0.652 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.464 0.893 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.880 1.723 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.742 0.302 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.007 -0.359 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.367 -2.230 3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.649 -1.902 3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.684 -2.305 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.979 -0.763 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.665 -0.935 1.289 1.00 0.00 H new ATOM 909 N GLN A 60 10.109 0.403 2.399 1.00 0.00 N ATOM 910 CA GLN A 60 9.440 0.513 1.108 1.00 0.00 C ATOM 911 C GLN A 60 8.578 1.769 1.047 1.00 0.00 C ATOM 912 O GLN A 60 8.671 2.555 0.103 1.00 0.00 O ATOM 913 CB GLN A 60 8.579 -0.724 0.848 1.00 0.00 C ATOM 914 CG GLN A 60 7.756 -1.156 2.052 1.00 0.00 C ATOM 915 CD GLN A 60 7.171 -2.545 1.890 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.282 -3.385 2.783 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.542 -2.793 0.748 1.00 0.00 N ATOM 0 H GLN A 60 10.154 -0.545 2.772 1.00 0.00 H new ATOM 0 HA GLN A 60 10.206 0.582 0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.908 -0.521 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.224 -1.548 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.383 -1.131 2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.948 -0.442 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.474 -2.067 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.127 -3.710 0.583 1.00 0.00 H new ATOM 926 N LYS A 61 7.737 1.954 2.059 1.00 0.00 N ATOM 927 CA LYS A 61 6.858 3.115 2.122 1.00 0.00 C ATOM 928 C LYS A 61 7.661 4.410 2.066 1.00 0.00 C ATOM 929 O LYS A 61 7.513 5.203 1.136 1.00 0.00 O ATOM 930 CB LYS A 61 6.021 3.077 3.403 1.00 0.00 C ATOM 931 CG LYS A 61 5.097 1.875 3.491 1.00 0.00 C ATOM 932 CD LYS A 61 4.416 1.792 4.846 1.00 0.00 C ATOM 933 CE LYS A 61 3.257 0.807 4.829 1.00 0.00 C ATOM 934 NZ LYS A 61 2.448 0.880 6.078 1.00 0.00 N ATOM 0 H LYS A 61 7.646 1.314 2.848 1.00 0.00 H new ATOM 0 HA LYS A 61 6.193 3.083 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.690 3.074 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.425 3.988 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.342 1.937 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.667 0.963 3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.141 1.489 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.052 2.779 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.618 1.013 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.642 -0.205 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.668 0.194 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.051 0.659 6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.059 1.839 6.184 1.00 0.00 H new ATOM 948 N TRP A 62 8.513 4.617 3.064 1.00 0.00 N ATOM 949 CA TRP A 62 9.341 5.815 3.127 1.00 0.00 C ATOM 950 C TRP A 62 9.946 6.130 1.763 1.00 0.00 C ATOM 951 O TRP A 62 9.955 7.282 1.330 1.00 0.00 O ATOM 952 CB TRP A 62 10.452 5.639 4.163 1.00 0.00 C ATOM 953 CG TRP A 62 11.272 6.876 4.371 1.00 0.00 C ATOM 954 CD1 TRP A 62 10.980 7.925 5.196 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.518 7.194 3.741 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.969 8.875 5.117 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.924 8.451 4.232 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.331 6.540 2.812 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.106 9.063 3.823 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.503 7.148 2.407 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.882 8.399 2.913 1.00 0.00 C ATOM 0 H TRP A 62 8.648 3.970 3.841 1.00 0.00 H new ATOM 0 HA TRP A 62 8.706 6.650 3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.009 5.342 5.113 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.107 4.826 3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.101 7.997 5.819 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.989 9.754 5.634 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.048 5.575 2.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.400 10.027 4.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.138 6.651 1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.805 8.848 2.578 1.00 0.00 H new ATOM 972 N GLU A 63 10.451 5.100 1.092 1.00 0.00 N ATOM 973 CA GLU A 63 11.059 5.269 -0.223 1.00 0.00 C ATOM 974 C GLU A 63 10.050 5.831 -1.220 1.00 0.00 C ATOM 975 O GLU A 63 10.171 6.972 -1.665 1.00 0.00 O ATOM 976 CB GLU A 63 11.606 3.934 -0.732 1.00 0.00 C ATOM 977 CG GLU A 63 12.867 3.480 -0.016 1.00 0.00 C ATOM 978 CD GLU A 63 13.709 2.540 -0.857 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.973 2.869 -2.032 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.103 1.474 -0.339 1.00 0.00 O ATOM 0 H GLU A 63 10.451 4.140 1.437 1.00 0.00 H new ATOM 0 HA GLU A 63 11.882 5.977 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.838 3.169 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.815 4.019 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.462 4.353 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.593 2.982 0.914 1.00 0.00 H new ATOM 987 N ALA A 64 9.055 5.021 -1.567 1.00 0.00 N ATOM 988 CA ALA A 64 8.024 5.438 -2.510 1.00 0.00 C ATOM 989 C ALA A 64 7.719 6.925 -2.369 1.00 0.00 C ATOM 990 O ALA A 64 7.756 7.671 -3.347 1.00 0.00 O ATOM 991 CB ALA A 64 6.760 4.616 -2.307 1.00 0.00 C ATOM 0 H ALA A 64 8.941 4.073 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 64 8.398 5.266 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.999 4.938 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.983 3.561 -2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.392 4.759 -1.291 1.00 0.00 H new ATOM 997 N TRP A 65 7.417 7.348 -1.146 1.00 0.00 N ATOM 998 CA TRP A 65 7.105 8.748 -0.878 1.00 0.00 C ATOM 999 C TRP A 65 8.355 9.614 -0.983 1.00 0.00 C ATOM 1000 O TRP A 65 8.299 10.746 -1.464 1.00 0.00 O ATOM 1001 CB TRP A 65 6.482 8.895 0.511 1.00 0.00 C ATOM 1002 CG TRP A 65 6.266 10.322 0.917 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.879 11.353 0.110 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.426 10.873 2.228 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.789 12.513 0.841 1.00 0.00 N ATOM 1006 CE2 TRP A 65 6.118 12.245 2.143 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.796 10.342 3.466 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 6.172 13.090 3.249 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.849 11.181 4.562 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.538 12.543 4.448 1.00 0.00 C ATOM 0 H TRP A 65 7.382 6.743 -0.326 1.00 0.00 H new ATOM 0 HA TRP A 65 6.389 9.085 -1.627 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.527 8.371 0.530 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.127 8.410 1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.674 11.269 -0.947 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.521 13.426 0.473 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.036 9.294 3.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.933 14.140 3.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 7.135 10.781 5.523 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.588 13.173 5.324 1.00 0.00 H new ATOM 1021 N LYS A 66 9.482 9.076 -0.531 1.00 0.00 N ATOM 1022 CA LYS A 66 10.747 9.800 -0.575 1.00 0.00 C ATOM 1023 C LYS A 66 11.065 10.254 -1.996 1.00 0.00 C ATOM 1024 O LYS A 66 11.558 11.361 -2.209 1.00 0.00 O ATOM 1025 CB LYS A 66 11.881 8.920 -0.043 1.00 0.00 C ATOM 1026 CG LYS A 66 13.263 9.515 -0.253 1.00 0.00 C ATOM 1027 CD LYS A 66 13.490 10.724 0.639 1.00 0.00 C ATOM 1028 CE LYS A 66 14.612 11.603 0.111 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.453 13.022 0.536 1.00 0.00 N ATOM 0 H LYS A 66 9.546 8.140 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 66 10.654 10.683 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.727 8.748 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.835 7.947 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.021 8.760 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.381 9.805 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.571 11.306 0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.731 10.392 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.569 11.223 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.633 11.550 -0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.238 13.588 0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.551 13.394 0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.459 13.076 1.575 1.00 0.00 H new ATOM 1043 N ALA A 67 10.779 9.391 -2.966 1.00 0.00 N ATOM 1044 CA ALA A 67 11.031 9.705 -4.366 1.00 0.00 C ATOM 1045 C ALA A 67 10.243 10.934 -4.804 1.00 0.00 C ATOM 1046 O ALA A 67 10.706 11.719 -5.633 1.00 0.00 O ATOM 1047 CB ALA A 67 10.684 8.512 -5.245 1.00 0.00 C ATOM 0 H ALA A 67 10.373 8.469 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 67 12.092 9.928 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.877 8.761 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.296 7.657 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.630 8.263 -5.120 1.00 0.00 H new ATOM 1053 N LEU A 68 9.050 11.097 -4.243 1.00 0.00 N ATOM 1054 CA LEU A 68 8.196 12.232 -4.576 1.00 0.00 C ATOM 1055 C LEU A 68 8.635 13.483 -3.822 1.00 0.00 C ATOM 1056 O LEU A 68 7.833 14.126 -3.145 1.00 0.00 O ATOM 1057 CB LEU A 68 6.737 11.911 -4.248 1.00 0.00 C ATOM 1058 CG LEU A 68 6.271 10.492 -4.579 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.815 10.302 -4.183 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.466 10.199 -6.060 1.00 0.00 C ATOM 0 H LEU A 68 8.652 10.458 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 68 8.288 12.423 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.578 12.085 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.101 12.615 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 68 6.876 9.788 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.501 9.287 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.705 10.469 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.194 11.014 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.129 9.185 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.887 10.909 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.522 10.293 -6.314 1.00 0.00 H new ATOM 1072 N GLY A 69 9.914 13.825 -3.946 1.00 0.00 N ATOM 1073 CA GLY A 69 10.437 14.999 -3.273 1.00 0.00 C ATOM 1074 C GLY A 69 10.165 16.277 -4.041 1.00 0.00 C ATOM 1075 O GLY A 69 10.086 17.357 -3.456 1.00 0.00 O ATOM 0 H GLY A 69 10.597 13.309 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.992 15.073 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.512 14.885 -3.133 1.00 0.00 H new ATOM 1079 N ASP A 70 10.024 16.156 -5.357 1.00 0.00 N ATOM 1080 CA ASP A 70 9.760 17.310 -6.207 1.00 0.00 C ATOM 1081 C ASP A 70 8.482 17.110 -7.015 1.00 0.00 C ATOM 1082 O ASP A 70 8.315 17.693 -8.086 1.00 0.00 O ATOM 1083 CB ASP A 70 10.940 17.557 -7.149 1.00 0.00 C ATOM 1084 CG ASP A 70 12.276 17.479 -6.437 1.00 0.00 C ATOM 1085 OD1 ASP A 70 12.361 17.949 -5.283 1.00 0.00 O ATOM 1086 OD2 ASP A 70 13.237 16.947 -7.033 1.00 0.00 O ATOM 0 H ASP A 70 10.088 15.270 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 70 9.629 18.181 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.918 16.823 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.834 18.539 -7.610 1.00 0.00 H new ATOM 1091 N SER A 71 7.583 16.281 -6.494 1.00 0.00 N ATOM 1092 CA SER A 71 6.321 16.000 -7.169 1.00 0.00 C ATOM 1093 C SER A 71 5.236 16.974 -6.721 1.00 0.00 C ATOM 1094 O SER A 71 5.497 17.901 -5.954 1.00 0.00 O ATOM 1095 CB SER A 71 5.879 14.562 -6.890 1.00 0.00 C ATOM 1096 OG SER A 71 6.447 13.663 -7.827 1.00 0.00 O ATOM 0 H SER A 71 7.705 15.792 -5.607 1.00 0.00 H new ATOM 0 HA SER A 71 6.475 16.124 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.176 14.276 -5.881 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.792 14.498 -6.933 1.00 0.00 H new ATOM 0 HG SER A 71 6.030 12.781 -7.729 1.00 0.00 H new ATOM 1102 N SER A 72 4.018 16.756 -7.205 1.00 0.00 N ATOM 1103 CA SER A 72 2.892 17.616 -6.858 1.00 0.00 C ATOM 1104 C SER A 72 1.752 16.802 -6.253 1.00 0.00 C ATOM 1105 O SER A 72 1.650 15.591 -6.448 1.00 0.00 O ATOM 1106 CB SER A 72 2.397 18.368 -8.095 1.00 0.00 C ATOM 1107 OG SER A 72 3.095 19.590 -8.262 1.00 0.00 O ATOM 0 H SER A 72 3.785 15.991 -7.839 1.00 0.00 H new ATOM 0 HA SER A 72 3.233 18.337 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.530 17.746 -8.980 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.329 18.565 -8.001 1.00 0.00 H new ATOM 0 HG SER A 72 2.762 20.051 -9.060 1.00 0.00 H new ATOM 1113 N PRO A 73 0.874 17.482 -5.502 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.275 16.844 -4.854 1.00 0.00 C ATOM 1115 C PRO A 73 -1.332 16.396 -5.858 1.00 0.00 C ATOM 1116 O PRO A 73 -1.779 15.249 -5.833 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.831 17.946 -3.949 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.397 19.218 -4.593 1.00 0.00 C ATOM 1119 CD PRO A 73 0.935 18.928 -5.228 1.00 0.00 C ATOM 0 HA PRO A 73 0.011 15.939 -4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.917 17.889 -3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.439 17.861 -2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.122 19.545 -5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.313 20.018 -3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.079 19.505 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.761 19.176 -4.561 1.00 0.00 H new ATOM 1127 N SER A 74 -1.727 17.307 -6.741 1.00 0.00 N ATOM 1128 CA SER A 74 -2.733 17.006 -7.752 1.00 0.00 C ATOM 1129 C SER A 74 -2.239 15.923 -8.706 1.00 0.00 C ATOM 1130 O SER A 74 -3.009 15.066 -9.140 1.00 0.00 O ATOM 1131 CB SER A 74 -3.091 18.269 -8.538 1.00 0.00 C ATOM 1132 OG SER A 74 -3.051 19.416 -7.707 1.00 0.00 O ATOM 0 H SER A 74 -1.365 18.260 -6.777 1.00 0.00 H new ATOM 0 HA SER A 74 -3.624 16.638 -7.243 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.396 18.393 -9.368 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.087 18.163 -8.969 1.00 0.00 H new ATOM 0 HG SER A 74 -3.282 20.210 -8.234 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.950 15.969 -9.026 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.353 14.992 -9.929 1.00 0.00 C ATOM 1140 C GLN A 75 -0.285 13.616 -9.274 1.00 0.00 C ATOM 1141 O GLN A 75 -0.177 12.598 -9.957 1.00 0.00 O ATOM 1142 CB GLN A 75 1.049 15.441 -10.346 1.00 0.00 C ATOM 1143 CG GLN A 75 1.057 16.711 -11.180 1.00 0.00 C ATOM 1144 CD GLN A 75 2.425 17.022 -11.757 1.00 0.00 C ATOM 1145 OE1 GLN A 75 2.993 16.223 -12.502 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.961 18.187 -11.415 1.00 0.00 N ATOM 0 H GLN A 75 -0.300 16.671 -8.674 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.983 14.922 -10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.652 15.599 -9.452 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.524 14.641 -10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.338 16.612 -11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.728 17.548 -10.564 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.455 18.819 -10.795 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.879 18.450 -11.773 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.348 13.594 -7.947 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.296 12.343 -7.201 1.00 0.00 C ATOM 1157 C ALA A 76 -1.669 11.684 -7.136 1.00 0.00 C ATOM 1158 O ALA A 76 -1.778 10.461 -7.060 1.00 0.00 O ATOM 1159 CB ALA A 76 0.241 12.588 -5.798 1.00 0.00 C ATOM 0 H ALA A 76 -0.435 14.428 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 76 0.378 11.665 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.275 11.645 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.245 13.007 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.412 13.287 -5.275 1.00 0.00 H new ATOM 1165 N MET A 77 -2.715 12.503 -7.165 1.00 0.00 N ATOM 1166 CA MET A 77 -4.083 11.999 -7.110 1.00 0.00 C ATOM 1167 C MET A 77 -4.486 11.375 -8.443 1.00 0.00 C ATOM 1168 O MET A 77 -5.232 10.397 -8.479 1.00 0.00 O ATOM 1169 CB MET A 77 -5.051 13.126 -6.748 1.00 0.00 C ATOM 1170 CG MET A 77 -4.774 13.753 -5.391 1.00 0.00 C ATOM 1171 SD MET A 77 -5.981 15.018 -4.951 1.00 0.00 S ATOM 1172 CE MET A 77 -4.963 16.140 -3.996 1.00 0.00 C ATOM 0 H MET A 77 -2.642 13.519 -7.226 1.00 0.00 H new ATOM 0 HA MET A 77 -4.129 11.229 -6.339 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.998 13.900 -7.514 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.069 12.737 -6.758 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.775 12.974 -4.628 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.777 14.193 -5.395 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.496 17.079 -3.849 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.740 15.693 -3.027 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.032 16.331 -4.530 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.987 11.947 -9.534 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.297 11.446 -10.868 1.00 0.00 C ATOM 1184 C GLN A 78 -4.018 9.950 -10.966 1.00 0.00 C ATOM 1185 O GLN A 78 -4.900 9.166 -11.313 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.482 12.199 -11.920 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.666 13.707 -11.867 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.441 14.370 -13.212 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.319 14.413 -13.716 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.511 14.891 -13.802 1.00 0.00 N ATOM 0 H GLN A 78 -3.367 12.757 -9.521 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.358 11.612 -11.054 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.426 11.965 -11.785 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.764 11.841 -12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.673 13.934 -11.518 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.974 14.128 -11.138 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.423 14.833 -13.348 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.421 15.349 -14.709 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.784 9.561 -10.658 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.389 8.159 -10.714 1.00 0.00 C ATOM 1201 C GLU A 79 -3.029 7.368 -9.576 1.00 0.00 C ATOM 1202 O GLU A 79 -3.382 6.200 -9.739 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.866 8.032 -10.644 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.141 8.793 -11.741 1.00 0.00 C ATOM 1205 CD GLU A 79 0.012 7.980 -13.012 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -0.918 8.001 -13.844 1.00 0.00 O ATOM 1207 OE2 GLU A 79 1.062 7.323 -13.174 1.00 0.00 O ATOM 0 H GLU A 79 -2.042 10.197 -10.367 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.738 7.747 -11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.524 8.395 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.595 6.978 -10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.687 9.710 -11.964 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.845 9.089 -11.382 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.175 8.013 -8.424 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.769 7.371 -7.258 1.00 0.00 C ATOM 1216 C TYR A 80 -5.195 6.917 -7.554 1.00 0.00 C ATOM 1217 O TYR A 80 -5.663 5.913 -7.016 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.764 8.327 -6.064 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.455 7.771 -4.840 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.836 7.619 -4.807 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.728 7.400 -3.716 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.472 7.112 -3.690 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.355 6.890 -2.595 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.727 6.749 -2.587 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.356 6.243 -1.472 1.00 0.00 O ATOM 0 H TYR A 80 -2.890 8.981 -8.273 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.170 6.493 -7.014 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.733 8.571 -5.809 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.250 9.259 -6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.422 7.902 -5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.654 7.512 -3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.546 7.001 -3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.774 6.604 -1.731 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.731 6.980 -0.946 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.880 7.663 -8.413 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.252 7.337 -8.783 1.00 0.00 C ATOM 1237 C ILE A 81 -7.289 6.335 -9.931 1.00 0.00 C ATOM 1238 O ILE A 81 -7.749 5.205 -9.768 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.040 8.596 -9.190 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.591 9.303 -7.950 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.167 8.230 -10.143 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.724 10.800 -8.117 1.00 0.00 C ATOM 0 H ILE A 81 -5.508 8.498 -8.866 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.719 6.895 -7.903 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.364 9.280 -9.704 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.568 8.885 -7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.936 9.097 -7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.715 9.130 -10.422 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.751 7.767 -11.038 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.844 7.530 -9.654 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.120 11.235 -7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.746 11.231 -8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.402 11.015 -8.943 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.799 6.756 -11.093 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.772 5.894 -12.268 1.00 0.00 C ATOM 1256 C ALA A 82 -6.569 4.435 -11.874 1.00 0.00 C ATOM 1257 O ALA A 82 -7.380 3.572 -12.209 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.678 6.341 -13.225 1.00 0.00 C ATOM 0 H ALA A 82 -6.415 7.689 -11.245 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.736 5.977 -12.771 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.669 5.688 -14.098 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.868 7.367 -13.541 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.712 6.289 -12.723 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.480 4.165 -11.161 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.170 2.810 -10.721 1.00 0.00 C ATOM 1266 C VAL A 83 -6.411 2.112 -10.176 1.00 0.00 C ATOM 1267 O VAL A 83 -6.805 1.052 -10.663 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.076 2.808 -9.636 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.367 3.865 -8.582 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.957 1.430 -9.002 1.00 0.00 C ATOM 0 H VAL A 83 -4.797 4.867 -10.876 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.806 2.269 -11.595 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.123 3.050 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.584 3.849 -7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.397 4.848 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.329 3.657 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.180 1.447 -8.238 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.908 1.156 -8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.698 0.699 -9.767 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.026 2.714 -9.162 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.224 2.151 -8.552 1.00 0.00 C ATOM 1282 C VAL A 84 -9.273 1.817 -9.606 1.00 0.00 C ATOM 1283 O VAL A 84 -10.137 0.967 -9.391 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.838 3.120 -7.523 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.744 3.877 -6.784 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.797 4.083 -8.205 1.00 0.00 C ATOM 0 H VAL A 84 -6.714 3.592 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.920 1.236 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.401 2.539 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.196 4.557 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.100 3.169 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.151 4.449 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.221 4.760 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.259 4.660 -8.958 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.599 3.520 -8.683 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.191 2.490 -10.749 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.132 2.264 -11.840 1.00 0.00 C ATOM 1298 C LYS A 85 -9.812 0.966 -12.574 1.00 0.00 C ATOM 1299 O LYS A 85 -10.713 0.234 -12.984 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.098 3.438 -12.821 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.153 4.797 -12.145 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.291 5.920 -13.160 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.740 6.119 -13.577 1.00 0.00 C ATOM 1304 NZ LYS A 85 -11.896 7.271 -14.508 1.00 0.00 N ATOM 0 H LYS A 85 -8.482 3.197 -10.944 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.132 2.183 -11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.188 3.375 -13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.938 3.350 -13.510 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.994 4.826 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.249 4.948 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.903 6.846 -12.735 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.686 5.694 -14.038 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.108 5.212 -14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.354 6.282 -12.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.898 7.373 -14.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.569 8.141 -14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.331 7.104 -15.365 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.523 0.684 -12.734 1.00 0.00 N ATOM 1319 CA LYS A 86 -8.083 -0.528 -13.416 1.00 0.00 C ATOM 1320 C LYS A 86 -8.457 -1.770 -12.613 1.00 0.00 C ATOM 1321 O LYS A 86 -8.713 -2.833 -13.179 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.570 -0.490 -13.642 1.00 0.00 C ATOM 1323 CG LYS A 86 -6.142 0.479 -14.730 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.756 1.831 -14.153 1.00 0.00 C ATOM 1325 CE LYS A 86 -6.080 2.962 -15.117 1.00 0.00 C ATOM 1326 NZ LYS A 86 -5.059 3.083 -16.194 1.00 0.00 N ATOM 0 H LYS A 86 -7.764 1.279 -12.400 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.587 -0.575 -14.381 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.078 -0.215 -12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.225 -1.491 -13.902 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.297 0.062 -15.278 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.955 0.606 -15.445 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.284 1.991 -13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.690 1.840 -13.925 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.059 2.789 -15.563 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.141 3.901 -14.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.316 3.865 -16.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.128 3.273 -15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.018 2.196 -16.735 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.489 -1.628 -11.293 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.834 -2.738 -10.412 1.00 0.00 C ATOM 1342 C LEU A 87 -10.335 -3.008 -10.438 1.00 0.00 C ATOM 1343 O LEU A 87 -10.767 -4.156 -10.547 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.382 -2.439 -8.981 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.023 -1.754 -8.835 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.909 -1.077 -7.478 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.896 -2.759 -9.028 1.00 0.00 C ATOM 0 H LEU A 87 -8.280 -0.755 -10.809 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.318 -3.628 -10.771 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.136 -1.810 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.355 -3.377 -8.427 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.938 -0.990 -9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.935 -0.595 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.695 -0.328 -7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.015 -1.822 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.936 -2.254 -8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.978 -3.546 -8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.966 -3.198 -10.023 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.124 -1.944 -10.339 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.577 -2.066 -10.354 1.00 0.00 C ATOM 1361 C ASP A 88 -13.189 -1.135 -11.397 1.00 0.00 C ATOM 1362 O ASP A 88 -13.320 0.071 -11.188 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.151 -1.751 -8.972 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.661 -1.875 -8.931 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.189 -2.879 -9.453 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.316 -0.968 -8.375 1.00 0.00 O ATOM 0 H ASP A 88 -10.782 -0.987 -10.248 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.828 -3.093 -10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.714 -2.427 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.864 -0.739 -8.685 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.572 -1.707 -12.548 1.00 0.00 N ATOM 1372 CA PRO A 89 -14.175 -0.947 -13.647 1.00 0.00 C ATOM 1373 C PRO A 89 -15.579 -0.457 -13.310 1.00 0.00 C ATOM 1374 O PRO A 89 -16.098 0.459 -13.948 1.00 0.00 O ATOM 1375 CB PRO A 89 -14.223 -1.959 -14.794 1.00 0.00 C ATOM 1376 CG PRO A 89 -14.255 -3.290 -14.124 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.445 -3.139 -12.866 1.00 0.00 C ATOM 0 HA PRO A 89 -13.607 -0.046 -13.879 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -15.104 -1.809 -15.418 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.353 -1.863 -15.443 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.278 -3.588 -13.896 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.835 -4.062 -14.769 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.832 -3.765 -12.062 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.405 -3.425 -13.021 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.190 -1.073 -12.302 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.529 -0.684 -11.898 1.00 0.00 C ATOM 1387 C GLY A 90 -17.525 0.265 -10.716 1.00 0.00 C ATOM 1388 O GLY A 90 -18.225 0.040 -9.729 1.00 0.00 O ATOM 0 H GLY A 90 -15.782 -1.834 -11.759 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -18.036 -0.210 -12.739 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.102 -1.576 -11.642 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.735 1.327 -10.816 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.642 2.313 -9.745 1.00 0.00 C ATOM 1394 C TRP A 91 -17.366 3.600 -10.125 1.00 0.00 C ATOM 1395 O TRP A 91 -17.085 4.197 -11.163 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.176 2.614 -9.427 1.00 0.00 C ATOM 1397 CG TRP A 91 -14.996 3.786 -8.509 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -15.762 4.101 -7.423 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -13.987 4.797 -8.599 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.289 5.249 -6.832 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.201 5.694 -7.534 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -12.923 5.031 -9.473 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.390 6.806 -7.324 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.119 6.136 -9.264 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.355 7.011 -8.196 1.00 0.00 C ATOM 0 H TRP A 91 -16.150 1.528 -11.627 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.121 1.896 -8.859 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -14.722 1.733 -8.973 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.641 2.805 -10.358 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -16.613 3.532 -7.079 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -15.684 5.696 -6.005 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.732 4.360 -10.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.571 7.483 -6.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.295 6.328 -9.935 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.708 7.864 -8.058 1.00 0.00 H new ATOM 1416 N ASN A 92 -18.300 4.021 -9.278 1.00 0.00 N ATOM 1417 CA ASN A 92 -19.066 5.237 -9.527 1.00 0.00 C ATOM 1418 C ASN A 92 -18.905 6.226 -8.376 1.00 0.00 C ATOM 1419 O ASN A 92 -19.684 6.238 -7.423 1.00 0.00 O ATOM 1420 CB ASN A 92 -20.546 4.902 -9.723 1.00 0.00 C ATOM 1421 CG ASN A 92 -20.817 4.245 -11.063 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -20.324 4.694 -12.098 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -21.604 3.176 -11.049 1.00 0.00 N ATOM 0 H ASN A 92 -18.545 3.538 -8.413 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.682 5.699 -10.437 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -20.875 4.239 -8.923 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -21.136 5.815 -9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -21.822 2.692 -11.920 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -21.991 2.839 -10.167 1.00 0.00 H new ATOM 1430 N PRO A 93 -17.871 7.075 -8.466 1.00 0.00 N ATOM 1431 CA PRO A 93 -17.584 8.084 -7.442 1.00 0.00 C ATOM 1432 C PRO A 93 -18.624 9.199 -7.419 1.00 0.00 C ATOM 1433 O PRO A 93 -18.864 9.814 -6.381 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.219 8.635 -7.860 1.00 0.00 C ATOM 1435 CG PRO A 93 -16.145 8.392 -9.328 1.00 0.00 C ATOM 1436 CD PRO A 93 -16.902 7.116 -9.575 1.00 0.00 C ATOM 0 HA PRO A 93 -17.599 7.661 -6.438 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.134 9.697 -7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.410 8.129 -7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.585 9.220 -9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.110 8.302 -9.657 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.401 7.126 -10.544 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.242 6.249 -9.564 1.00 0.00 H new ATOM 1444 N GLN A 94 -19.238 9.453 -8.570 1.00 0.00 N ATOM 1445 CA GLN A 94 -20.253 10.494 -8.681 1.00 0.00 C ATOM 1446 C GLN A 94 -21.654 9.902 -8.574 1.00 0.00 C ATOM 1447 O GLN A 94 -22.291 9.605 -9.585 1.00 0.00 O ATOM 1448 CB GLN A 94 -20.102 11.244 -10.006 1.00 0.00 C ATOM 1449 CG GLN A 94 -21.137 12.339 -10.206 1.00 0.00 C ATOM 1450 CD GLN A 94 -21.202 12.825 -11.640 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -21.113 12.034 -12.580 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -21.359 14.132 -11.817 1.00 0.00 N ATOM 0 H GLN A 94 -19.050 8.952 -9.439 1.00 0.00 H new ATOM 0 HA GLN A 94 -20.111 11.194 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -19.106 11.684 -10.054 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -20.175 10.532 -10.828 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.117 11.966 -9.908 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -20.903 13.179 -9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -21.428 14.751 -11.010 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.410 14.516 -12.760 1.00 0.00 H new ATOM 1461 N ILE A 95 -22.128 9.734 -7.344 1.00 0.00 N ATOM 1462 CA ILE A 95 -23.454 9.178 -7.107 1.00 0.00 C ATOM 1463 C ILE A 95 -24.403 10.237 -6.556 1.00 0.00 C ATOM 1464 O ILE A 95 -24.125 10.894 -5.553 1.00 0.00 O ATOM 1465 CB ILE A 95 -23.400 7.993 -6.125 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -22.686 6.802 -6.768 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -24.804 7.602 -5.688 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -23.529 6.071 -7.789 1.00 0.00 C ATOM 0 H ILE A 95 -21.614 9.975 -6.497 1.00 0.00 H new ATOM 0 HA ILE A 95 -23.825 8.825 -8.069 1.00 0.00 H new ATOM 0 HB ILE A 95 -22.837 8.297 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -21.772 7.152 -7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -22.388 6.102 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -24.749 6.763 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -25.281 8.449 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -25.389 7.313 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -22.959 5.239 -8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -24.431 5.690 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -23.805 6.756 -8.590 1.00 0.00 H new ATOM 1480 N PRO A 96 -25.553 10.407 -7.225 1.00 0.00 N ATOM 1481 CA PRO A 96 -26.569 11.383 -6.819 1.00 0.00 C ATOM 1482 C PRO A 96 -27.268 10.988 -5.523 1.00 0.00 C ATOM 1483 O PRO A 96 -27.459 11.816 -4.633 1.00 0.00 O ATOM 1484 CB PRO A 96 -27.559 11.370 -7.986 1.00 0.00 C ATOM 1485 CG PRO A 96 -27.399 10.024 -8.604 1.00 0.00 C ATOM 1486 CD PRO A 96 -25.951 9.658 -8.429 1.00 0.00 C ATOM 0 HA PRO A 96 -26.136 12.363 -6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -28.581 11.528 -7.640 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -27.338 12.163 -8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -28.047 9.293 -8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -27.672 10.044 -9.659 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -25.821 8.584 -8.295 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -25.356 9.945 -9.296 1.00 0.00 H new ATOM 1494 N GLU A 97 -27.646 9.717 -5.423 1.00 0.00 N ATOM 1495 CA GLU A 97 -28.324 9.214 -4.234 1.00 0.00 C ATOM 1496 C GLU A 97 -27.692 9.781 -2.966 1.00 0.00 C ATOM 1497 O GLU A 97 -26.497 10.078 -2.933 1.00 0.00 O ATOM 1498 CB GLU A 97 -28.275 7.685 -4.201 1.00 0.00 C ATOM 1499 CG GLU A 97 -29.289 7.064 -3.255 1.00 0.00 C ATOM 1500 CD GLU A 97 -30.649 6.876 -3.898 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -30.698 6.401 -5.052 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -31.664 7.204 -3.249 1.00 0.00 O ATOM 0 H GLU A 97 -27.494 9.018 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 97 -29.364 9.537 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -28.447 7.303 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -27.274 7.368 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -28.917 6.098 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -29.393 7.697 -2.373 1.00 0.00 H new ATOM 1509 N LYS A 98 -28.502 9.929 -1.924 1.00 0.00 N ATOM 1510 CA LYS A 98 -28.025 10.460 -0.652 1.00 0.00 C ATOM 1511 C LYS A 98 -27.955 9.362 0.404 1.00 0.00 C ATOM 1512 O LYS A 98 -28.937 8.661 0.652 1.00 0.00 O ATOM 1513 CB LYS A 98 -28.940 11.588 -0.171 1.00 0.00 C ATOM 1514 CG LYS A 98 -28.285 12.514 0.840 1.00 0.00 C ATOM 1515 CD LYS A 98 -27.587 13.679 0.158 1.00 0.00 C ATOM 1516 CE LYS A 98 -26.148 13.336 -0.197 1.00 0.00 C ATOM 1517 NZ LYS A 98 -25.288 14.550 -0.258 1.00 0.00 N ATOM 0 H LYS A 98 -29.493 9.689 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 98 -27.021 10.856 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -29.263 12.174 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -29.835 11.154 0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -29.039 12.894 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -27.563 11.953 1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -28.131 13.951 -0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -27.604 14.549 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -25.747 12.643 0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -26.123 12.825 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -24.315 14.275 -0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -25.656 15.200 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -25.291 15.024 0.667 1.00 0.00 H new ATOM 1531 N LYS A 99 -26.790 9.217 1.025 1.00 0.00 N ATOM 1532 CA LYS A 99 -26.592 8.206 2.057 1.00 0.00 C ATOM 1533 C LYS A 99 -27.353 6.928 1.719 1.00 0.00 C ATOM 1534 O LYS A 99 -28.064 6.377 2.559 1.00 0.00 O ATOM 1535 CB LYS A 99 -27.049 8.740 3.417 1.00 0.00 C ATOM 1536 CG LYS A 99 -28.517 9.128 3.456 1.00 0.00 C ATOM 1537 CD LYS A 99 -28.860 9.884 4.729 1.00 0.00 C ATOM 1538 CE LYS A 99 -28.868 8.962 5.939 1.00 0.00 C ATOM 1539 NZ LYS A 99 -29.708 9.504 7.043 1.00 0.00 N ATOM 0 H LYS A 99 -25.967 9.788 0.831 1.00 0.00 H new ATOM 0 HA LYS A 99 -25.528 7.973 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -26.862 7.982 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -26.445 9.609 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -28.754 9.746 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -29.133 8.232 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -28.136 10.684 4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -29.837 10.354 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -29.242 7.981 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -27.847 8.821 6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -29.688 8.847 7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -29.336 10.429 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -30.687 9.615 6.712 1.00 0.00 H new ATOM 1553 N GLY A 100 -27.198 6.461 0.484 1.00 0.00 N ATOM 1554 CA GLY A 100 -27.876 5.250 0.059 1.00 0.00 C ATOM 1555 C GLY A 100 -26.939 4.061 -0.029 1.00 0.00 C ATOM 1556 O GLY A 100 -26.999 3.282 -0.980 1.00 0.00 O ATOM 0 H GLY A 100 -26.615 6.899 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -28.681 5.023 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -28.337 5.418 -0.914 1.00 0.00 H new ATOM 1560 N LYS A 101 -26.068 3.922 0.965 1.00 0.00 N ATOM 1561 CA LYS A 101 -25.114 2.820 0.998 1.00 0.00 C ATOM 1562 C LYS A 101 -25.191 2.072 2.325 1.00 0.00 C ATOM 1563 O LYS A 101 -25.421 2.674 3.373 1.00 0.00 O ATOM 1564 CB LYS A 101 -23.692 3.343 0.777 1.00 0.00 C ATOM 1565 CG LYS A 101 -22.632 2.256 0.811 1.00 0.00 C ATOM 1566 CD LYS A 101 -21.332 2.726 0.181 1.00 0.00 C ATOM 1567 CE LYS A 101 -20.431 3.405 1.202 1.00 0.00 C ATOM 1568 NZ LYS A 101 -20.723 4.861 1.317 1.00 0.00 N ATOM 0 H LYS A 101 -26.003 4.559 1.759 1.00 0.00 H new ATOM 0 HA LYS A 101 -25.369 2.128 0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -23.647 3.853 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -23.464 4.085 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.450 1.956 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.996 1.375 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -20.810 1.875 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -21.550 3.419 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -20.562 2.930 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -19.388 3.265 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.900 5.349 1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -20.924 5.250 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -21.549 5.002 1.933 1.00 0.00 H new ATOM 1582 N GLU A 102 -24.995 0.758 2.271 1.00 0.00 N ATOM 1583 CA GLU A 102 -25.043 -0.070 3.470 1.00 0.00 C ATOM 1584 C GLU A 102 -23.911 0.293 4.427 1.00 0.00 C ATOM 1585 O GLU A 102 -22.888 0.840 4.016 1.00 0.00 O ATOM 1586 CB GLU A 102 -24.955 -1.551 3.097 1.00 0.00 C ATOM 1587 CG GLU A 102 -25.033 -2.486 4.293 1.00 0.00 C ATOM 1588 CD GLU A 102 -25.528 -3.870 3.920 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -26.348 -3.975 2.984 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -25.096 -4.848 4.566 1.00 0.00 O ATOM 0 H GLU A 102 -24.802 0.245 1.411 1.00 0.00 H new ATOM 0 HA GLU A 102 -25.993 0.115 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -25.762 -1.791 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -24.019 -1.729 2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -24.047 -2.568 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -25.697 -2.056 5.043 1.00 0.00 H new ATOM 1597 N ALA A 103 -24.103 -0.016 5.705 1.00 0.00 N ATOM 1598 CA ALA A 103 -23.099 0.276 6.721 1.00 0.00 C ATOM 1599 C ALA A 103 -23.372 -0.503 8.003 1.00 0.00 C ATOM 1600 O ALA A 103 -24.495 -0.945 8.245 1.00 0.00 O ATOM 1601 CB ALA A 103 -23.056 1.769 7.007 1.00 0.00 C ATOM 0 H ALA A 103 -24.945 -0.469 6.062 1.00 0.00 H new ATOM 0 HA ALA A 103 -22.128 -0.037 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -22.302 1.972 7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -22.804 2.307 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -24.031 2.099 7.366 1.00 0.00 H new ATOM 1607 N SER A 104 -22.338 -0.669 8.821 1.00 0.00 N ATOM 1608 CA SER A 104 -22.466 -1.400 10.077 1.00 0.00 C ATOM 1609 C SER A 104 -21.669 -0.718 11.185 1.00 0.00 C ATOM 1610 O SER A 104 -20.877 0.188 10.929 1.00 0.00 O ATOM 1611 CB SER A 104 -21.988 -2.843 9.903 1.00 0.00 C ATOM 1612 OG SER A 104 -22.898 -3.590 9.114 1.00 0.00 O ATOM 0 H SER A 104 -21.402 -0.307 8.637 1.00 0.00 H new ATOM 0 HA SER A 104 -23.518 -1.406 10.360 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.004 -2.849 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 104 -21.878 -3.313 10.880 1.00 0.00 H new ATOM 0 HG SER A 104 -22.569 -4.508 9.016 1.00 0.00 H new ATOM 1618 N GLY A 105 -21.886 -1.161 12.420 1.00 0.00 N ATOM 1619 CA GLY A 105 -21.182 -0.584 13.550 1.00 0.00 C ATOM 1620 C GLY A 105 -21.749 0.761 13.960 1.00 0.00 C ATOM 1621 O GLY A 105 -22.910 1.075 13.698 1.00 0.00 O ATOM 0 H GLY A 105 -22.537 -1.909 12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -21.234 -1.270 14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -20.128 -0.469 13.297 1.00 0.00 H new ATOM 1625 N PRO A 106 -20.918 1.580 14.622 1.00 0.00 N ATOM 1626 CA PRO A 106 -21.322 2.911 15.085 1.00 0.00 C ATOM 1627 C PRO A 106 -21.526 3.889 13.932 1.00 0.00 C ATOM 1628 O PRO A 106 -21.203 3.585 12.784 1.00 0.00 O ATOM 1629 CB PRO A 106 -20.147 3.354 15.960 1.00 0.00 C ATOM 1630 CG PRO A 106 -18.978 2.592 15.438 1.00 0.00 C ATOM 1631 CD PRO A 106 -19.521 1.271 14.969 1.00 0.00 C ATOM 0 HA PRO A 106 -22.277 2.887 15.610 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -19.983 4.429 15.888 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -20.329 3.129 17.011 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -18.496 3.128 14.620 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -18.226 2.451 16.214 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -18.968 0.892 14.110 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -19.459 0.512 15.748 1.00 0.00 H new ATOM 1639 N SER A 107 -22.063 5.063 14.246 1.00 0.00 N ATOM 1640 CA SER A 107 -22.313 6.084 13.236 1.00 0.00 C ATOM 1641 C SER A 107 -21.827 7.449 13.711 1.00 0.00 C ATOM 1642 O SER A 107 -21.292 7.581 14.812 1.00 0.00 O ATOM 1643 CB SER A 107 -23.805 6.149 12.904 1.00 0.00 C ATOM 1644 OG SER A 107 -24.574 6.428 14.062 1.00 0.00 O ATOM 0 H SER A 107 -22.333 5.331 15.192 1.00 0.00 H new ATOM 0 HA SER A 107 -21.759 5.813 12.337 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.980 6.919 12.153 1.00 0.00 H new ATOM 0 HB3 SER A 107 -24.126 5.202 12.470 1.00 0.00 H new ATOM 0 HG SER A 107 -25.524 6.466 13.823 1.00 0.00 H new ATOM 1650 N SER A 108 -22.016 8.463 12.872 1.00 0.00 N ATOM 1651 CA SER A 108 -21.593 9.819 13.204 1.00 0.00 C ATOM 1652 C SER A 108 -22.792 10.761 13.270 1.00 0.00 C ATOM 1653 O SER A 108 -23.653 10.751 12.391 1.00 0.00 O ATOM 1654 CB SER A 108 -20.586 10.329 12.171 1.00 0.00 C ATOM 1655 OG SER A 108 -20.282 11.696 12.387 1.00 0.00 O ATOM 0 H SER A 108 -22.459 8.371 11.958 1.00 0.00 H new ATOM 0 HA SER A 108 -21.117 9.795 14.184 1.00 0.00 H new ATOM 0 HB2 SER A 108 -19.672 9.737 12.226 1.00 0.00 H new ATOM 0 HB3 SER A 108 -20.991 10.197 11.168 1.00 0.00 H new ATOM 0 HG SER A 108 -19.635 11.997 11.715 1.00 0.00 H new ATOM 1661 N GLY A 109 -22.840 11.575 14.320 1.00 0.00 N ATOM 1662 CA GLY A 109 -23.936 12.512 14.483 1.00 0.00 C ATOM 1663 C GLY A 109 -23.568 13.686 15.369 1.00 0.00 C ATOM 1664 O GLY A 109 -22.420 14.130 15.376 1.00 0.00 O ATOM 0 H GLY A 109 -22.139 11.602 15.061 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -24.243 12.881 13.504 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -24.793 11.993 14.911 1.00 0.00 H new TER 1668 GLY A 109