USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 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 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 36:sc= 0.595 USER MOD Single : A 5 SER OG : rot 46:sc= 0.815 USER MOD Single : A 6 SER OG : rot 20:sc= 0.00191 USER MOD Single : A 8 SER OG : rot 5:sc= 0.383 USER MOD Single : A 10 GLN : amide:sc= -0.802 X(o=-0.8,f=-0.79) USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= -0.0279 (180deg=-1.13) USER MOD Single : A 15 ASN : amide:sc= -0.91 K(o=-0.91,f=-1.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -5.83! C(o=-5.8!,f=-7.8!) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 169:sc= -0.978 (180deg=-1.12) USER MOD Single : A 46 CYS SG : rot 66:sc= -2.65! USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.631 F(o=-2.3,f=-0.63) USER MOD Single : A 52 HIS : no HE2:sc= -0.263 X(o=-0.26,f=-0.45) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.187) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.74) USER MOD Single : A 81 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.13) USER MOD Single : A 86 LYS NZ :NH3+ -149:sc= -0.652 (180deg=-1.23) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00833 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.667 28.342 11.107 1.00 0.00 N ATOM 2 CA GLY A 1 -25.797 28.045 10.245 1.00 0.00 C ATOM 3 C GLY A 1 -25.488 28.288 8.781 1.00 0.00 C ATOM 4 O GLY A 1 -25.738 29.374 8.258 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.928 28.160 12.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.862 27.738 10.845 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.400 29.341 10.997 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.092 27.005 10.383 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.647 28.660 10.541 1.00 0.00 H new ATOM 8 N SER A 2 -24.942 27.274 8.117 1.00 0.00 N ATOM 9 CA SER A 2 -24.593 27.385 6.705 1.00 0.00 C ATOM 10 C SER A 2 -24.838 26.064 5.981 1.00 0.00 C ATOM 11 O SER A 2 -24.998 25.018 6.610 1.00 0.00 O ATOM 12 CB SER A 2 -23.129 27.801 6.550 1.00 0.00 C ATOM 13 OG SER A 2 -22.952 29.171 6.865 1.00 0.00 O ATOM 0 H SER A 2 -24.732 26.367 8.534 1.00 0.00 H new ATOM 0 HA SER A 2 -25.229 28.149 6.257 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.503 27.191 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.801 27.614 5.527 1.00 0.00 H new ATOM 0 HG SER A 2 -22.008 29.412 6.760 1.00 0.00 H new ATOM 19 N SER A 3 -24.864 26.120 4.653 1.00 0.00 N ATOM 20 CA SER A 3 -25.092 24.931 3.841 1.00 0.00 C ATOM 21 C SER A 3 -23.811 24.114 3.702 1.00 0.00 C ATOM 22 O SER A 3 -22.879 24.514 3.004 1.00 0.00 O ATOM 23 CB SER A 3 -25.613 25.324 2.458 1.00 0.00 C ATOM 24 OG SER A 3 -24.714 26.204 1.805 1.00 0.00 O ATOM 0 H SER A 3 -24.730 26.977 4.117 1.00 0.00 H new ATOM 0 HA SER A 3 -25.841 24.317 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.756 24.429 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.588 25.802 2.555 1.00 0.00 H new ATOM 0 HG SER A 3 -23.793 25.958 2.031 1.00 0.00 H new ATOM 30 N GLY A 4 -23.772 22.966 4.372 1.00 0.00 N ATOM 31 CA GLY A 4 -22.602 22.111 4.310 1.00 0.00 C ATOM 32 C GLY A 4 -21.477 22.603 5.199 1.00 0.00 C ATOM 33 O GLY A 4 -20.526 23.222 4.722 1.00 0.00 O ATOM 0 H GLY A 4 -24.530 22.613 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.879 21.099 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.250 22.056 3.280 1.00 0.00 H new ATOM 37 N SER A 5 -21.585 22.330 6.495 1.00 0.00 N ATOM 38 CA SER A 5 -20.571 22.754 7.453 1.00 0.00 C ATOM 39 C SER A 5 -19.359 21.829 7.407 1.00 0.00 C ATOM 40 O SER A 5 -19.398 20.712 7.922 1.00 0.00 O ATOM 41 CB SER A 5 -21.154 22.780 8.868 1.00 0.00 C ATOM 42 OG SER A 5 -21.612 21.495 9.254 1.00 0.00 O ATOM 0 H SER A 5 -22.365 21.817 6.906 1.00 0.00 H new ATOM 0 HA SER A 5 -20.249 23.760 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.396 23.126 9.571 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.978 23.492 8.912 1.00 0.00 H new ATOM 0 HG SER A 5 -20.934 20.825 9.029 1.00 0.00 H new ATOM 48 N SER A 6 -18.284 22.302 6.787 1.00 0.00 N ATOM 49 CA SER A 6 -17.061 21.517 6.669 1.00 0.00 C ATOM 50 C SER A 6 -15.828 22.400 6.846 1.00 0.00 C ATOM 51 O SER A 6 -15.514 23.225 5.989 1.00 0.00 O ATOM 52 CB SER A 6 -17.008 20.815 5.311 1.00 0.00 C ATOM 53 OG SER A 6 -17.729 19.596 5.339 1.00 0.00 O ATOM 0 H SER A 6 -18.235 23.226 6.358 1.00 0.00 H new ATOM 0 HA SER A 6 -17.065 20.765 7.458 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.423 21.469 4.544 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.971 20.621 5.038 1.00 0.00 H new ATOM 0 HG SER A 6 -18.363 19.608 6.086 1.00 0.00 H new ATOM 59 N GLY A 7 -15.135 22.219 7.966 1.00 0.00 N ATOM 60 CA GLY A 7 -13.946 23.006 8.237 1.00 0.00 C ATOM 61 C GLY A 7 -13.726 23.234 9.719 1.00 0.00 C ATOM 62 O GLY A 7 -14.681 23.424 10.473 1.00 0.00 O ATOM 0 H GLY A 7 -15.375 21.542 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.076 22.500 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.029 23.969 7.733 1.00 0.00 H new ATOM 66 N SER A 8 -12.465 23.213 10.139 1.00 0.00 N ATOM 67 CA SER A 8 -12.124 23.414 11.542 1.00 0.00 C ATOM 68 C SER A 8 -10.709 23.968 11.684 1.00 0.00 C ATOM 69 O SER A 8 -9.972 24.076 10.703 1.00 0.00 O ATOM 70 CB SER A 8 -12.246 22.098 12.313 1.00 0.00 C ATOM 71 OG SER A 8 -13.600 21.686 12.406 1.00 0.00 O ATOM 0 H SER A 8 -11.663 23.059 9.528 1.00 0.00 H new ATOM 0 HA SER A 8 -12.824 24.138 11.959 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.661 21.325 11.815 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.829 22.219 13.313 1.00 0.00 H new ATOM 0 HG SER A 8 -14.165 22.298 11.890 1.00 0.00 H new ATOM 77 N ILE A 9 -10.338 24.319 12.910 1.00 0.00 N ATOM 78 CA ILE A 9 -9.012 24.862 13.180 1.00 0.00 C ATOM 79 C ILE A 9 -8.170 23.879 13.987 1.00 0.00 C ATOM 80 O ILE A 9 -8.594 23.401 15.038 1.00 0.00 O ATOM 81 CB ILE A 9 -9.094 26.197 13.944 1.00 0.00 C ATOM 82 CG1 ILE A 9 -10.092 26.087 15.099 1.00 0.00 C ATOM 83 CG2 ILE A 9 -9.489 27.323 13.000 1.00 0.00 C ATOM 84 CD1 ILE A 9 -10.204 27.351 15.923 1.00 0.00 C ATOM 0 H ILE A 9 -10.936 24.237 13.732 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.539 25.035 12.213 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.112 26.424 14.358 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.074 25.836 14.698 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.794 25.264 15.749 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.543 28.260 13.554 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.745 27.412 12.208 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.462 27.105 12.561 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.929 27.201 16.723 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.232 27.592 16.354 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.532 28.173 15.286 1.00 0.00 H new ATOM 96 N GLN A 10 -6.974 23.584 13.487 1.00 0.00 N ATOM 97 CA GLN A 10 -6.071 22.658 14.162 1.00 0.00 C ATOM 98 C GLN A 10 -4.646 22.813 13.643 1.00 0.00 C ATOM 99 O GLN A 10 -4.428 23.028 12.450 1.00 0.00 O ATOM 100 CB GLN A 10 -6.545 21.217 13.967 1.00 0.00 C ATOM 101 CG GLN A 10 -6.301 20.681 12.565 1.00 0.00 C ATOM 102 CD GLN A 10 -7.123 21.402 11.513 1.00 0.00 C ATOM 103 OE1 GLN A 10 -6.578 21.978 10.571 1.00 0.00 O ATOM 104 NE2 GLN A 10 -8.440 21.374 11.669 1.00 0.00 N ATOM 0 H GLN A 10 -6.608 23.972 12.618 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.078 22.893 15.226 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.036 20.575 14.686 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.611 21.161 14.188 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.243 20.777 12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.538 19.617 12.540 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.849 20.884 12.465 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.044 21.842 10.993 1.00 0.00 H new ATOM 113 N LYS A 11 -3.678 22.700 14.546 1.00 0.00 N ATOM 114 CA LYS A 11 -2.272 22.826 14.180 1.00 0.00 C ATOM 115 C LYS A 11 -1.638 21.454 13.974 1.00 0.00 C ATOM 116 O LYS A 11 -1.470 20.688 14.924 1.00 0.00 O ATOM 117 CB LYS A 11 -1.509 23.594 15.262 1.00 0.00 C ATOM 118 CG LYS A 11 -1.683 25.101 15.174 1.00 0.00 C ATOM 119 CD LYS A 11 -0.728 25.827 16.108 1.00 0.00 C ATOM 120 CE LYS A 11 -1.299 25.934 17.514 1.00 0.00 C ATOM 121 NZ LYS A 11 -1.019 24.713 18.320 1.00 0.00 N ATOM 0 H LYS A 11 -3.841 22.521 15.537 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.215 23.378 13.242 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.844 23.254 16.242 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.448 23.354 15.187 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.511 25.429 14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.710 25.365 15.425 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.224 25.298 16.140 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.525 26.825 15.719 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.874 26.804 18.014 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.376 26.093 17.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.917 24.282 18.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.483 24.032 17.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.461 24.971 19.159 1.00 0.00 H new ATOM 135 N ASP A 12 -1.288 21.150 12.729 1.00 0.00 N ATOM 136 CA ASP A 12 -0.670 19.870 12.399 1.00 0.00 C ATOM 137 C ASP A 12 0.039 19.941 11.051 1.00 0.00 C ATOM 138 O ASP A 12 -0.470 20.533 10.099 1.00 0.00 O ATOM 139 CB ASP A 12 -1.724 18.762 12.376 1.00 0.00 C ATOM 140 CG ASP A 12 -2.567 18.738 13.637 1.00 0.00 C ATOM 141 OD1 ASP A 12 -3.526 19.533 13.725 1.00 0.00 O ATOM 142 OD2 ASP A 12 -2.268 17.924 14.535 1.00 0.00 O ATOM 0 H ASP A 12 -1.421 21.772 11.932 1.00 0.00 H new ATOM 0 HA ASP A 12 0.069 19.643 13.167 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.373 18.900 11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.231 17.798 12.254 1.00 0.00 H new ATOM 147 N LEU A 13 1.220 19.336 10.977 1.00 0.00 N ATOM 148 CA LEU A 13 2.002 19.331 9.747 1.00 0.00 C ATOM 149 C LEU A 13 2.921 18.115 9.690 1.00 0.00 C ATOM 150 O LEU A 13 3.341 17.593 10.723 1.00 0.00 O ATOM 151 CB LEU A 13 2.828 20.614 9.638 1.00 0.00 C ATOM 152 CG LEU A 13 2.125 21.813 9.000 1.00 0.00 C ATOM 153 CD1 LEU A 13 2.891 23.095 9.286 1.00 0.00 C ATOM 154 CD2 LEU A 13 1.971 21.605 7.500 1.00 0.00 C ATOM 0 H LEU A 13 1.657 18.842 11.756 1.00 0.00 H new ATOM 0 HA LEU A 13 1.310 19.280 8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.153 20.899 10.639 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.727 20.396 9.061 1.00 0.00 H new ATOM 0 HG LEU A 13 1.131 21.902 9.438 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.376 23.937 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.949 23.251 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.898 23.016 8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.469 22.468 7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.955 21.489 7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.379 20.709 7.316 1.00 0.00 H new ATOM 166 N ALA A 14 3.232 17.671 8.477 1.00 0.00 N ATOM 167 CA ALA A 14 4.105 16.518 8.286 1.00 0.00 C ATOM 168 C ALA A 14 4.432 16.318 6.809 1.00 0.00 C ATOM 169 O ALA A 14 3.937 17.045 5.949 1.00 0.00 O ATOM 170 CB ALA A 14 3.460 15.267 8.860 1.00 0.00 C ATOM 0 H ALA A 14 2.893 18.092 7.612 1.00 0.00 H new ATOM 0 HA ALA A 14 5.038 16.707 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.123 14.415 8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.282 15.406 9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.512 15.082 8.355 1.00 0.00 H new ATOM 176 N ASN A 15 5.270 15.326 6.524 1.00 0.00 N ATOM 177 CA ASN A 15 5.665 15.030 5.151 1.00 0.00 C ATOM 178 C ASN A 15 5.137 13.667 4.716 1.00 0.00 C ATOM 179 O ASN A 15 4.440 13.555 3.708 1.00 0.00 O ATOM 180 CB ASN A 15 7.189 15.066 5.018 1.00 0.00 C ATOM 181 CG ASN A 15 7.887 14.380 6.177 1.00 0.00 C ATOM 182 OD1 ASN A 15 8.261 13.211 6.086 1.00 0.00 O ATOM 183 ND2 ASN A 15 8.064 15.107 7.274 1.00 0.00 N ATOM 0 H ASN A 15 5.688 14.714 7.225 1.00 0.00 H new ATOM 0 HA ASN A 15 5.233 15.791 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.481 14.584 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.521 16.102 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.527 14.700 8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.737 16.073 7.304 1.00 0.00 H new ATOM 190 N ILE A 16 5.474 12.635 5.481 1.00 0.00 N ATOM 191 CA ILE A 16 5.033 11.281 5.175 1.00 0.00 C ATOM 192 C ILE A 16 3.572 11.265 4.737 1.00 0.00 C ATOM 193 O ILE A 16 2.734 11.960 5.309 1.00 0.00 O ATOM 194 CB ILE A 16 5.203 10.345 6.387 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.676 10.268 6.795 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.664 8.959 6.067 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.607 9.957 5.645 1.00 0.00 C ATOM 0 H ILE A 16 6.052 12.711 6.318 1.00 0.00 H new ATOM 0 HA ILE A 16 5.660 10.922 4.359 1.00 0.00 H new ATOM 0 HB ILE A 16 4.633 10.750 7.223 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.970 11.217 7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.792 9.503 7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.792 8.310 6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.605 9.029 5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.209 8.544 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.634 9.918 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.339 8.994 5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.520 10.734 4.886 1.00 0.00 H new ATOM 209 N ALA A 17 3.275 10.463 3.719 1.00 0.00 N ATOM 210 CA ALA A 17 1.914 10.354 3.206 1.00 0.00 C ATOM 211 C ALA A 17 1.337 8.967 3.474 1.00 0.00 C ATOM 212 O ALA A 17 1.762 7.982 2.872 1.00 0.00 O ATOM 213 CB ALA A 17 1.885 10.660 1.717 1.00 0.00 C ATOM 0 H ALA A 17 3.957 9.880 3.234 1.00 0.00 H new ATOM 0 HA ALA A 17 1.296 11.084 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.863 10.575 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.249 11.673 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.522 9.952 1.188 1.00 0.00 H new ATOM 219 N GLU A 18 0.369 8.900 4.381 1.00 0.00 N ATOM 220 CA GLU A 18 -0.265 7.632 4.729 1.00 0.00 C ATOM 221 C GLU A 18 -1.460 7.356 3.823 1.00 0.00 C ATOM 222 O GLU A 18 -2.437 8.107 3.817 1.00 0.00 O ATOM 223 CB GLU A 18 -0.711 7.645 6.193 1.00 0.00 C ATOM 224 CG GLU A 18 -1.178 6.289 6.698 1.00 0.00 C ATOM 225 CD GLU A 18 -2.459 5.828 6.029 1.00 0.00 C ATOM 226 OE1 GLU A 18 -3.548 6.154 6.546 1.00 0.00 O ATOM 227 OE2 GLU A 18 -2.372 5.140 4.991 1.00 0.00 O ATOM 0 H GLU A 18 0.006 9.707 4.888 1.00 0.00 H new ATOM 0 HA GLU A 18 0.467 6.837 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.116 7.989 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.520 8.366 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.395 5.551 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.333 6.340 7.776 1.00 0.00 H new ATOM 234 N VAL A 19 -1.377 6.271 3.058 1.00 0.00 N ATOM 235 CA VAL A 19 -2.452 5.894 2.148 1.00 0.00 C ATOM 236 C VAL A 19 -2.916 4.465 2.408 1.00 0.00 C ATOM 237 O VAL A 19 -2.122 3.526 2.355 1.00 0.00 O ATOM 238 CB VAL A 19 -2.013 6.020 0.677 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.128 5.571 -0.254 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.591 7.449 0.368 1.00 0.00 C ATOM 0 H VAL A 19 -0.577 5.639 3.051 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.278 6.581 2.333 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.154 5.369 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.799 5.667 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.377 4.530 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.008 6.193 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.284 7.520 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.429 8.123 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.757 7.729 1.012 1.00 0.00 H new ATOM 250 N GLU A 20 -4.205 4.310 2.688 1.00 0.00 N ATOM 251 CA GLU A 20 -4.775 2.994 2.957 1.00 0.00 C ATOM 252 C GLU A 20 -5.458 2.433 1.714 1.00 0.00 C ATOM 253 O GLU A 20 -5.879 3.181 0.832 1.00 0.00 O ATOM 254 CB GLU A 20 -5.777 3.074 4.111 1.00 0.00 C ATOM 255 CG GLU A 20 -5.184 3.631 5.395 1.00 0.00 C ATOM 256 CD GLU A 20 -6.223 4.295 6.277 1.00 0.00 C ATOM 257 OE1 GLU A 20 -7.033 3.568 6.890 1.00 0.00 O ATOM 258 OE2 GLU A 20 -6.227 5.542 6.354 1.00 0.00 O ATOM 0 H GLU A 20 -4.875 5.078 2.735 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.962 2.324 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.618 3.698 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.174 2.078 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.704 2.824 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.407 4.354 5.148 1.00 0.00 H new ATOM 265 N VAL A 21 -5.564 1.109 1.650 1.00 0.00 N ATOM 266 CA VAL A 21 -6.197 0.446 0.516 1.00 0.00 C ATOM 267 C VAL A 21 -7.025 -0.750 0.971 1.00 0.00 C ATOM 268 O VAL A 21 -6.745 -1.356 2.005 1.00 0.00 O ATOM 269 CB VAL A 21 -5.151 -0.028 -0.510 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.222 -1.060 0.112 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.836 -0.594 -1.745 1.00 0.00 C ATOM 0 H VAL A 21 -5.219 0.475 2.371 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.852 1.179 0.045 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.551 0.830 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.490 -1.383 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.706 -0.618 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.804 -1.919 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.082 -0.924 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.460 -1.440 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.457 0.177 -2.202 1.00 0.00 H new ATOM 281 N SER A 22 -8.048 -1.085 0.191 1.00 0.00 N ATOM 282 CA SER A 22 -8.922 -2.206 0.515 1.00 0.00 C ATOM 283 C SER A 22 -8.324 -3.521 0.021 1.00 0.00 C ATOM 284 O SER A 22 -8.069 -3.689 -1.173 1.00 0.00 O ATOM 285 CB SER A 22 -10.306 -1.998 -0.103 1.00 0.00 C ATOM 286 OG SER A 22 -11.079 -3.184 -0.034 1.00 0.00 O ATOM 0 H SER A 22 -8.292 -0.596 -0.670 1.00 0.00 H new ATOM 0 HA SER A 22 -9.021 -2.256 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.823 -1.192 0.418 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.201 -1.689 -1.143 1.00 0.00 H new ATOM 0 HG SER A 22 -11.959 -3.024 -0.434 1.00 0.00 H new ATOM 292 N ILE A 23 -8.103 -4.449 0.945 1.00 0.00 N ATOM 293 CA ILE A 23 -7.536 -5.747 0.605 1.00 0.00 C ATOM 294 C ILE A 23 -7.925 -6.803 1.635 1.00 0.00 C ATOM 295 O ILE A 23 -7.926 -6.558 2.841 1.00 0.00 O ATOM 296 CB ILE A 23 -6.001 -5.683 0.505 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.580 -4.701 -0.590 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.430 -7.066 0.231 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.081 -4.540 -0.713 1.00 0.00 C ATOM 0 H ILE A 23 -8.308 -4.326 1.936 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.943 -6.024 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.604 -5.329 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.980 -5.041 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.026 -3.728 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.344 -7.004 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.705 -7.740 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.831 -7.446 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.855 -3.830 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.676 -4.171 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.630 -5.504 -0.949 1.00 0.00 H new ATOM 311 N PRO A 24 -8.259 -8.008 1.148 1.00 0.00 N ATOM 312 CA PRO A 24 -8.652 -9.128 2.010 1.00 0.00 C ATOM 313 C PRO A 24 -7.483 -9.671 2.823 1.00 0.00 C ATOM 314 O PRO A 24 -6.357 -9.750 2.334 1.00 0.00 O ATOM 315 CB PRO A 24 -9.148 -10.181 1.017 1.00 0.00 C ATOM 316 CG PRO A 24 -8.442 -9.865 -0.256 1.00 0.00 C ATOM 317 CD PRO A 24 -8.279 -8.371 -0.278 1.00 0.00 C ATOM 0 HA PRO A 24 -9.398 -8.833 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.914 -11.189 1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.230 -10.129 0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.474 -10.364 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.017 -10.208 -1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.358 -8.075 -0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.100 -7.885 -0.805 1.00 0.00 H new ATOM 325 N ALA A 25 -7.759 -10.045 4.069 1.00 0.00 N ATOM 326 CA ALA A 25 -6.730 -10.583 4.950 1.00 0.00 C ATOM 327 C ALA A 25 -6.117 -11.853 4.367 1.00 0.00 C ATOM 328 O ALA A 25 -4.900 -11.954 4.212 1.00 0.00 O ATOM 329 CB ALA A 25 -7.307 -10.860 6.330 1.00 0.00 C ATOM 0 H ALA A 25 -8.686 -9.985 4.490 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.940 -9.837 5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.527 -11.261 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.691 -9.933 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.117 -11.584 6.247 1.00 0.00 H new ATOM 335 N LYS A 26 -6.969 -12.821 4.046 1.00 0.00 N ATOM 336 CA LYS A 26 -6.513 -14.084 3.479 1.00 0.00 C ATOM 337 C LYS A 26 -5.387 -13.856 2.476 1.00 0.00 C ATOM 338 O LYS A 26 -4.507 -14.702 2.312 1.00 0.00 O ATOM 339 CB LYS A 26 -7.675 -14.811 2.799 1.00 0.00 C ATOM 340 CG LYS A 26 -8.461 -13.937 1.837 1.00 0.00 C ATOM 341 CD LYS A 26 -9.637 -13.266 2.527 1.00 0.00 C ATOM 342 CE LYS A 26 -10.775 -13.001 1.553 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.570 -14.230 1.281 1.00 0.00 N ATOM 0 H LYS A 26 -7.979 -12.755 4.169 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.132 -14.701 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.286 -15.673 2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.351 -15.193 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.804 -13.177 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.823 -14.543 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.992 -13.898 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.311 -12.326 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.428 -12.229 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.370 -12.616 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.335 -14.008 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.953 -14.959 0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.978 -14.583 2.170 1.00 0.00 H new ATOM 357 N LEU A 27 -5.419 -12.708 1.808 1.00 0.00 N ATOM 358 CA LEU A 27 -4.399 -12.367 0.821 1.00 0.00 C ATOM 359 C LEU A 27 -3.219 -11.662 1.480 1.00 0.00 C ATOM 360 O LEU A 27 -2.063 -11.909 1.135 1.00 0.00 O ATOM 361 CB LEU A 27 -4.995 -11.478 -0.271 1.00 0.00 C ATOM 362 CG LEU A 27 -5.907 -12.175 -1.281 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.360 -11.198 -2.355 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.197 -13.367 -1.907 1.00 0.00 C ATOM 0 H LEU A 27 -6.140 -11.997 1.932 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.040 -13.292 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.561 -10.679 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.176 -11.007 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.789 -12.538 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.008 -11.712 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.908 -10.377 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.489 -10.804 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.861 -13.851 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.297 -13.027 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.924 -14.078 -1.128 1.00 0.00 H new ATOM 376 N HIS A 28 -3.517 -10.784 2.432 1.00 0.00 N ATOM 377 CA HIS A 28 -2.480 -10.043 3.142 1.00 0.00 C ATOM 378 C HIS A 28 -1.228 -10.897 3.320 1.00 0.00 C ATOM 379 O HIS A 28 -0.122 -10.469 2.993 1.00 0.00 O ATOM 380 CB HIS A 28 -2.995 -9.583 4.506 1.00 0.00 C ATOM 381 CG HIS A 28 -4.025 -8.500 4.423 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.557 -7.880 5.534 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.620 -7.923 3.352 1.00 0.00 C ATOM 384 CE1 HIS A 28 -5.436 -6.971 5.150 1.00 0.00 C ATOM 385 NE2 HIS A 28 -5.493 -6.978 3.831 1.00 0.00 N ATOM 0 H HIS A 28 -4.468 -10.568 2.730 1.00 0.00 H new ATOM 0 HA HIS A 28 -2.221 -9.168 2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.420 -10.438 5.032 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.154 -9.228 5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.441 -8.162 2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -6.010 -6.331 5.804 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -6.089 -6.378 3.260 1.00 0.00 H new ATOM 393 N ASN A 29 -1.412 -12.106 3.840 1.00 0.00 N ATOM 394 CA ASN A 29 -0.297 -13.020 4.062 1.00 0.00 C ATOM 395 C ASN A 29 0.386 -13.376 2.745 1.00 0.00 C ATOM 396 O ASN A 29 1.613 -13.367 2.647 1.00 0.00 O ATOM 397 CB ASN A 29 -0.783 -14.292 4.757 1.00 0.00 C ATOM 398 CG ASN A 29 -1.328 -14.020 6.147 1.00 0.00 C ATOM 399 OD1 ASN A 29 -1.089 -12.958 6.721 1.00 0.00 O ATOM 400 ND2 ASN A 29 -2.063 -14.982 6.693 1.00 0.00 N ATOM 0 H ASN A 29 -2.322 -12.476 4.115 1.00 0.00 H new ATOM 0 HA ASN A 29 0.428 -12.519 4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.559 -14.760 4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.041 -15.003 4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.456 -14.857 7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.235 -15.846 6.179 1.00 0.00 H new ATOM 407 N SER A 30 -0.418 -13.689 1.734 1.00 0.00 N ATOM 408 CA SER A 30 0.107 -14.052 0.423 1.00 0.00 C ATOM 409 C SER A 30 0.973 -12.931 -0.144 1.00 0.00 C ATOM 410 O SER A 30 2.158 -13.125 -0.419 1.00 0.00 O ATOM 411 CB SER A 30 -1.039 -14.363 -0.541 1.00 0.00 C ATOM 412 OG SER A 30 -1.604 -15.634 -0.269 1.00 0.00 O ATOM 0 H SER A 30 -1.436 -13.698 1.798 1.00 0.00 H new ATOM 0 HA SER A 30 0.725 -14.942 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.807 -13.595 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.672 -14.337 -1.567 1.00 0.00 H new ATOM 0 HG SER A 30 -2.335 -15.808 -0.898 1.00 0.00 H new ATOM 418 N LEU A 31 0.374 -11.758 -0.316 1.00 0.00 N ATOM 419 CA LEU A 31 1.089 -10.604 -0.849 1.00 0.00 C ATOM 420 C LEU A 31 2.421 -10.408 -0.130 1.00 0.00 C ATOM 421 O LEU A 31 3.463 -10.249 -0.766 1.00 0.00 O ATOM 422 CB LEU A 31 0.234 -9.342 -0.717 1.00 0.00 C ATOM 423 CG LEU A 31 -0.684 -9.027 -1.897 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.925 -8.286 -1.425 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.058 -8.213 -2.948 1.00 0.00 C ATOM 0 H LEU A 31 -0.606 -11.581 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 31 1.291 -10.789 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.379 -9.435 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.898 -8.492 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.998 -9.968 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.567 -8.070 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.468 -8.904 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.631 -7.352 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.611 -7.998 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.402 -7.277 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.916 -8.780 -3.309 1.00 0.00 H new ATOM 437 N ILE A 32 2.377 -10.424 1.198 1.00 0.00 N ATOM 438 CA ILE A 32 3.581 -10.251 2.002 1.00 0.00 C ATOM 439 C ILE A 32 4.631 -11.300 1.653 1.00 0.00 C ATOM 440 O ILE A 32 5.714 -10.973 1.170 1.00 0.00 O ATOM 441 CB ILE A 32 3.267 -10.335 3.508 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.469 -9.109 3.955 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.554 -10.458 4.310 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.633 -9.350 5.191 1.00 0.00 C ATOM 0 H ILE A 32 1.522 -10.555 1.739 1.00 0.00 H new ATOM 0 HA ILE A 32 3.973 -9.260 1.775 1.00 0.00 H new ATOM 0 HB ILE A 32 2.662 -11.223 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.159 -8.287 4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.817 -8.794 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.317 -10.516 5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.087 -11.359 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.182 -9.586 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.095 -8.438 5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.919 -10.150 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.282 -9.636 6.019 1.00 0.00 H new ATOM 456 N GLY A 33 4.301 -12.565 1.899 1.00 0.00 N ATOM 457 CA GLY A 33 5.226 -13.643 1.603 1.00 0.00 C ATOM 458 C GLY A 33 5.698 -14.362 2.852 1.00 0.00 C ATOM 459 O GLY A 33 5.818 -13.757 3.917 1.00 0.00 O ATOM 0 H GLY A 33 3.410 -12.862 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.744 -14.358 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.088 -13.242 1.071 1.00 0.00 H new ATOM 463 N THR A 34 5.965 -15.657 2.722 1.00 0.00 N ATOM 464 CA THR A 34 6.423 -16.460 3.848 1.00 0.00 C ATOM 465 C THR A 34 7.532 -15.749 4.615 1.00 0.00 C ATOM 466 O THR A 34 7.645 -15.883 5.834 1.00 0.00 O ATOM 467 CB THR A 34 6.934 -17.838 3.386 1.00 0.00 C ATOM 468 OG1 THR A 34 7.381 -18.599 4.514 1.00 0.00 O ATOM 469 CG2 THR A 34 8.072 -17.685 2.388 1.00 0.00 C ATOM 0 H THR A 34 5.872 -16.173 1.847 1.00 0.00 H new ATOM 0 HA THR A 34 5.565 -16.602 4.505 1.00 0.00 H new ATOM 0 HB THR A 34 6.111 -18.362 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.703 -19.474 4.212 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.417 -18.671 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.721 -17.131 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.895 -17.144 2.855 1.00 0.00 H new ATOM 477 N LYS A 35 8.352 -14.992 3.894 1.00 0.00 N ATOM 478 CA LYS A 35 9.453 -14.258 4.505 1.00 0.00 C ATOM 479 C LYS A 35 9.299 -12.758 4.276 1.00 0.00 C ATOM 480 O LYS A 35 10.202 -11.978 4.578 1.00 0.00 O ATOM 481 CB LYS A 35 10.791 -14.736 3.936 1.00 0.00 C ATOM 482 CG LYS A 35 11.989 -14.330 4.776 1.00 0.00 C ATOM 483 CD LYS A 35 13.255 -15.033 4.318 1.00 0.00 C ATOM 484 CE LYS A 35 13.397 -16.403 4.965 1.00 0.00 C ATOM 485 NZ LYS A 35 14.144 -16.335 6.251 1.00 0.00 N ATOM 0 H LYS A 35 8.274 -14.871 2.884 1.00 0.00 H new ATOM 0 HA LYS A 35 9.433 -14.449 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.771 -15.822 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.912 -14.336 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.129 -13.251 4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.798 -14.568 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.240 -15.141 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.122 -14.421 4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.408 -16.825 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.913 -17.076 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.219 -17.288 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.097 -15.956 6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.638 -15.713 6.914 1.00 0.00 H new ATOM 499 N GLY A 36 8.148 -12.359 3.743 1.00 0.00 N ATOM 500 CA GLY A 36 7.897 -10.953 3.486 1.00 0.00 C ATOM 501 C GLY A 36 8.812 -10.387 2.416 1.00 0.00 C ATOM 502 O GLY A 36 9.097 -9.190 2.406 1.00 0.00 O ATOM 0 H GLY A 36 7.385 -12.985 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.859 -10.822 3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.030 -10.389 4.409 1.00 0.00 H new ATOM 506 N ARG A 37 9.272 -11.250 1.517 1.00 0.00 N ATOM 507 CA ARG A 37 10.162 -10.831 0.441 1.00 0.00 C ATOM 508 C ARG A 37 9.374 -10.173 -0.690 1.00 0.00 C ATOM 509 O ARG A 37 9.837 -9.213 -1.306 1.00 0.00 O ATOM 510 CB ARG A 37 10.945 -12.029 -0.098 1.00 0.00 C ATOM 511 CG ARG A 37 10.069 -13.087 -0.749 1.00 0.00 C ATOM 512 CD ARG A 37 10.793 -14.420 -0.853 1.00 0.00 C ATOM 513 NE ARG A 37 11.540 -14.541 -2.102 1.00 0.00 N ATOM 514 CZ ARG A 37 11.003 -14.954 -3.244 1.00 0.00 C ATOM 515 NH1 ARG A 37 9.720 -15.284 -3.296 1.00 0.00 N ATOM 516 NH2 ARG A 37 11.750 -15.038 -4.338 1.00 0.00 N ATOM 0 H ARG A 37 9.043 -12.244 1.512 1.00 0.00 H new ATOM 0 HA ARG A 37 10.863 -10.101 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.676 -11.677 -0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.503 -12.485 0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.155 -13.212 -0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.772 -12.754 -1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.476 -14.528 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.069 -15.232 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 37 12.530 -14.294 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.143 -15.221 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.310 -15.601 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.738 -14.785 -4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.337 -15.355 -5.215 1.00 0.00 H new ATOM 530 N LEU A 38 8.184 -10.698 -0.957 1.00 0.00 N ATOM 531 CA LEU A 38 7.331 -10.163 -2.013 1.00 0.00 C ATOM 532 C LEU A 38 7.023 -8.690 -1.771 1.00 0.00 C ATOM 533 O LEU A 38 6.881 -7.912 -2.714 1.00 0.00 O ATOM 534 CB LEU A 38 6.030 -10.962 -2.099 1.00 0.00 C ATOM 535 CG LEU A 38 6.087 -12.255 -2.914 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.365 -11.951 -4.377 1.00 0.00 C ATOM 537 CD2 LEU A 38 7.146 -13.192 -2.351 1.00 0.00 C ATOM 0 H LEU A 38 7.787 -11.494 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 38 7.867 -10.251 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.711 -11.209 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.261 -10.320 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 38 5.118 -12.750 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.402 -12.883 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.572 -11.317 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.321 -11.435 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.174 -14.107 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.120 -12.705 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.903 -13.436 -1.317 1.00 0.00 H new ATOM 549 N ILE A 39 6.923 -8.313 -0.500 1.00 0.00 N ATOM 550 CA ILE A 39 6.635 -6.932 -0.134 1.00 0.00 C ATOM 551 C ILE A 39 7.920 -6.137 0.071 1.00 0.00 C ATOM 552 O ILE A 39 8.035 -4.996 -0.376 1.00 0.00 O ATOM 553 CB ILE A 39 5.787 -6.855 1.150 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.311 -7.094 0.826 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.975 -5.507 1.829 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.685 -5.989 0.006 1.00 0.00 C ATOM 0 H ILE A 39 7.037 -8.945 0.293 1.00 0.00 H new ATOM 0 HA ILE A 39 6.071 -6.499 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 39 6.120 -7.634 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.214 -8.036 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.756 -7.203 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.369 -5.468 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.025 -5.374 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.665 -4.712 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.638 -6.226 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.750 -5.049 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.215 -5.894 -0.942 1.00 0.00 H new ATOM 568 N ARG A 40 8.886 -6.750 0.749 1.00 0.00 N ATOM 569 CA ARG A 40 10.165 -6.101 1.013 1.00 0.00 C ATOM 570 C ARG A 40 10.766 -5.541 -0.273 1.00 0.00 C ATOM 571 O ARG A 40 11.228 -4.401 -0.309 1.00 0.00 O ATOM 572 CB ARG A 40 11.139 -7.088 1.657 1.00 0.00 C ATOM 573 CG ARG A 40 11.102 -7.078 3.177 1.00 0.00 C ATOM 574 CD ARG A 40 12.416 -7.559 3.769 1.00 0.00 C ATOM 575 NE ARG A 40 12.494 -7.307 5.206 1.00 0.00 N ATOM 576 CZ ARG A 40 13.570 -7.566 5.940 1.00 0.00 C ATOM 577 NH1 ARG A 40 14.653 -8.083 5.376 1.00 0.00 N ATOM 578 NH2 ARG A 40 13.564 -7.308 7.242 1.00 0.00 N ATOM 0 H ARG A 40 8.807 -7.695 1.125 1.00 0.00 H new ATOM 0 HA ARG A 40 9.989 -5.274 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.911 -8.093 1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.151 -6.855 1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.890 -6.069 3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.289 -7.715 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.529 -8.627 3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.244 -7.058 3.268 1.00 0.00 H new ATOM 0 HE ARG A 40 11.677 -6.910 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.661 -8.283 4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.478 -8.281 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.733 -6.911 7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.391 -7.507 7.805 1.00 0.00 H new ATOM 592 N SER A 41 10.756 -6.352 -1.326 1.00 0.00 N ATOM 593 CA SER A 41 11.304 -5.940 -2.613 1.00 0.00 C ATOM 594 C SER A 41 10.598 -4.689 -3.129 1.00 0.00 C ATOM 595 O SER A 41 11.240 -3.685 -3.441 1.00 0.00 O ATOM 596 CB SER A 41 11.171 -7.072 -3.634 1.00 0.00 C ATOM 597 OG SER A 41 12.214 -7.018 -4.593 1.00 0.00 O ATOM 0 H SER A 41 10.375 -7.298 -1.313 1.00 0.00 H new ATOM 0 HA SER A 41 12.360 -5.709 -2.473 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.194 -8.033 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.206 -7.001 -4.137 1.00 0.00 H new ATOM 0 HG SER A 41 12.108 -7.752 -5.233 1.00 0.00 H new ATOM 603 N ILE A 42 9.275 -4.758 -3.215 1.00 0.00 N ATOM 604 CA ILE A 42 8.480 -3.632 -3.692 1.00 0.00 C ATOM 605 C ILE A 42 8.818 -2.358 -2.926 1.00 0.00 C ATOM 606 O ILE A 42 9.004 -1.296 -3.518 1.00 0.00 O ATOM 607 CB ILE A 42 6.972 -3.912 -3.562 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.596 -5.173 -4.341 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.168 -2.719 -4.056 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.230 -5.719 -3.983 1.00 0.00 C ATOM 0 H ILE A 42 8.730 -5.582 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 42 8.725 -3.496 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 42 6.737 -4.074 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.622 -4.953 -5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.346 -5.942 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.103 -2.932 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.419 -1.840 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.405 -2.529 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.029 -6.613 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.205 -5.971 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.470 -4.966 -4.195 1.00 0.00 H new ATOM 622 N MET A 43 8.899 -2.472 -1.603 1.00 0.00 N ATOM 623 CA MET A 43 9.218 -1.330 -0.756 1.00 0.00 C ATOM 624 C MET A 43 10.553 -0.710 -1.158 1.00 0.00 C ATOM 625 O MET A 43 10.802 0.467 -0.901 1.00 0.00 O ATOM 626 CB MET A 43 9.262 -1.754 0.714 1.00 0.00 C ATOM 627 CG MET A 43 7.917 -2.213 1.254 1.00 0.00 C ATOM 628 SD MET A 43 7.833 -2.149 3.053 1.00 0.00 S ATOM 629 CE MET A 43 9.212 -3.202 3.495 1.00 0.00 C ATOM 0 H MET A 43 8.748 -3.344 -1.096 1.00 0.00 H new ATOM 0 HA MET A 43 8.436 -0.582 -0.888 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.985 -2.561 0.829 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.619 -0.917 1.315 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.129 -1.587 0.835 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.725 -3.233 0.921 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.413 -3.109 4.562 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.968 -4.238 3.261 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.095 -2.901 2.932 1.00 0.00 H new ATOM 639 N GLU A 44 11.406 -1.511 -1.790 1.00 0.00 N ATOM 640 CA GLU A 44 12.714 -1.039 -2.226 1.00 0.00 C ATOM 641 C GLU A 44 12.629 -0.398 -3.609 1.00 0.00 C ATOM 642 O GLU A 44 12.916 0.787 -3.773 1.00 0.00 O ATOM 643 CB GLU A 44 13.716 -2.196 -2.249 1.00 0.00 C ATOM 644 CG GLU A 44 15.162 -1.751 -2.114 1.00 0.00 C ATOM 645 CD GLU A 44 16.046 -2.818 -1.497 1.00 0.00 C ATOM 646 OE1 GLU A 44 16.103 -3.935 -2.052 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.681 -2.535 -0.459 1.00 0.00 O ATOM 0 H GLU A 44 11.214 -2.488 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 44 13.055 -0.285 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.480 -2.886 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.600 -2.748 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.550 -1.487 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.205 -0.850 -1.502 1.00 0.00 H new ATOM 654 N GLU A 45 12.233 -1.192 -4.598 1.00 0.00 N ATOM 655 CA GLU A 45 12.112 -0.703 -5.966 1.00 0.00 C ATOM 656 C GLU A 45 11.231 0.541 -6.023 1.00 0.00 C ATOM 657 O GLU A 45 11.527 1.492 -6.748 1.00 0.00 O ATOM 658 CB GLU A 45 11.534 -1.791 -6.872 1.00 0.00 C ATOM 659 CG GLU A 45 10.277 -2.442 -6.317 1.00 0.00 C ATOM 660 CD GLU A 45 9.714 -3.504 -7.240 1.00 0.00 C ATOM 661 OE1 GLU A 45 9.831 -3.344 -8.472 1.00 0.00 O ATOM 662 OE2 GLU A 45 9.154 -4.497 -6.727 1.00 0.00 O ATOM 0 H GLU A 45 11.991 -2.176 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 45 13.109 -0.439 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.309 -1.358 -7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.291 -2.559 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.501 -2.889 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.521 -1.676 -6.147 1.00 0.00 H new ATOM 669 N CYS A 46 10.148 0.528 -5.255 1.00 0.00 N ATOM 670 CA CYS A 46 9.222 1.654 -5.217 1.00 0.00 C ATOM 671 C CYS A 46 9.940 2.935 -4.807 1.00 0.00 C ATOM 672 O CYS A 46 9.716 3.998 -5.385 1.00 0.00 O ATOM 673 CB CYS A 46 8.074 1.366 -4.248 1.00 0.00 C ATOM 674 SG CYS A 46 8.487 1.647 -2.510 1.00 0.00 S ATOM 0 H CYS A 46 9.889 -0.251 -4.649 1.00 0.00 H new ATOM 0 HA CYS A 46 8.816 1.791 -6.219 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.223 1.992 -4.514 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.759 0.330 -4.373 1.00 0.00 H new ATOM 0 HG CYS A 46 8.706 2.914 -2.315 1.00 0.00 H new ATOM 680 N GLY A 47 10.805 2.827 -3.802 1.00 0.00 N ATOM 681 CA GLY A 47 11.542 3.984 -3.329 1.00 0.00 C ATOM 682 C GLY A 47 12.033 3.818 -1.905 1.00 0.00 C ATOM 683 O GLY A 47 13.151 4.210 -1.576 1.00 0.00 O ATOM 0 H GLY A 47 11.008 1.958 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.394 4.161 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.905 4.866 -3.389 1.00 0.00 H new ATOM 687 N GLY A 48 11.192 3.235 -1.055 1.00 0.00 N ATOM 688 CA GLY A 48 11.564 3.029 0.332 1.00 0.00 C ATOM 689 C GLY A 48 10.424 3.322 1.287 1.00 0.00 C ATOM 690 O GLY A 48 10.586 4.081 2.244 1.00 0.00 O ATOM 0 H GLY A 48 10.260 2.902 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.892 1.998 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.412 3.668 0.576 1.00 0.00 H new ATOM 694 N VAL A 49 9.267 2.722 1.028 1.00 0.00 N ATOM 695 CA VAL A 49 8.095 2.924 1.871 1.00 0.00 C ATOM 696 C VAL A 49 7.915 1.766 2.848 1.00 0.00 C ATOM 697 O VAL A 49 8.507 0.700 2.680 1.00 0.00 O ATOM 698 CB VAL A 49 6.815 3.072 1.028 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.015 4.108 -0.068 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.408 1.731 0.436 1.00 0.00 C ATOM 0 H VAL A 49 9.116 2.092 0.240 1.00 0.00 H new ATOM 0 HA VAL A 49 8.262 3.845 2.429 1.00 0.00 H new ATOM 0 HB VAL A 49 6.010 3.415 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.100 4.199 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.256 5.071 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.833 3.797 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.502 1.855 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.209 1.356 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.221 1.020 1.241 1.00 0.00 H new ATOM 710 N HIS A 50 7.094 1.984 3.870 1.00 0.00 N ATOM 711 CA HIS A 50 6.834 0.959 4.874 1.00 0.00 C ATOM 712 C HIS A 50 5.355 0.585 4.899 1.00 0.00 C ATOM 713 O HIS A 50 4.513 1.376 5.324 1.00 0.00 O ATOM 714 CB HIS A 50 7.273 1.444 6.255 1.00 0.00 C ATOM 715 CG HIS A 50 8.687 1.936 6.296 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.380 2.713 5.430 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.560 1.633 7.319 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.645 2.863 5.942 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.728 2.202 7.082 1.00 0.00 N flip ATOM 0 H HIS A 50 6.597 2.861 4.025 1.00 0.00 H new ATOM 0 HA HIS A 50 7.410 0.072 4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.609 2.246 6.577 1.00 0.00 H new ATOM 0 HB3 HIS A 50 7.160 0.629 6.970 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.325 1.025 8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.443 3.430 5.486 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.554 2.141 7.678 1.00 0.00 H new ATOM 727 N ILE A 51 5.047 -0.624 4.442 1.00 0.00 N ATOM 728 CA ILE A 51 3.670 -1.103 4.414 1.00 0.00 C ATOM 729 C ILE A 51 3.309 -1.816 5.711 1.00 0.00 C ATOM 730 O ILE A 51 4.126 -2.539 6.284 1.00 0.00 O ATOM 731 CB ILE A 51 3.431 -2.059 3.230 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.889 -1.411 1.922 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.962 -2.446 3.151 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.038 -2.394 0.782 1.00 0.00 C ATOM 0 H ILE A 51 5.732 -1.290 4.086 1.00 0.00 H new ATOM 0 HA ILE A 51 3.033 -0.226 4.296 1.00 0.00 H new ATOM 0 HB ILE A 51 4.017 -2.964 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.172 -0.641 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.844 -0.912 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.808 -3.122 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.667 -2.944 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.357 -1.550 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.365 -1.866 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.777 -3.150 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.079 -2.876 0.589 1.00 0.00 H new ATOM 746 N HIS A 52 2.079 -1.611 6.170 1.00 0.00 N ATOM 747 CA HIS A 52 1.607 -2.238 7.400 1.00 0.00 C ATOM 748 C HIS A 52 0.373 -3.095 7.134 1.00 0.00 C ATOM 749 O HIS A 52 -0.545 -2.678 6.429 1.00 0.00 O ATOM 750 CB HIS A 52 1.285 -1.173 8.449 1.00 0.00 C ATOM 751 CG HIS A 52 2.492 -0.433 8.940 1.00 0.00 C ATOM 752 ND1 HIS A 52 3.428 -0.995 9.784 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.914 0.830 8.700 1.00 0.00 C ATOM 754 CE1 HIS A 52 4.371 -0.108 10.043 1.00 0.00 C ATOM 755 NE2 HIS A 52 4.084 1.008 9.397 1.00 0.00 N ATOM 0 H HIS A 52 1.391 -1.016 5.709 1.00 0.00 H new ATOM 0 HA HIS A 52 2.401 -2.882 7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.578 -0.459 8.025 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.790 -1.647 9.296 1.00 0.00 H new ATOM 0 HD1 HIS A 52 3.396 -1.946 10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.422 1.562 8.076 1.00 0.00 H new ATOM 0 HE1 HIS A 52 5.231 -0.268 10.676 1.00 0.00 H new ATOM 763 N PHE A 53 0.359 -4.295 7.705 1.00 0.00 N ATOM 764 CA PHE A 53 -0.761 -5.212 7.528 1.00 0.00 C ATOM 765 C PHE A 53 -1.383 -5.577 8.874 1.00 0.00 C ATOM 766 O PHE A 53 -0.694 -5.936 9.828 1.00 0.00 O ATOM 767 CB PHE A 53 -0.300 -6.481 6.806 1.00 0.00 C ATOM 768 CG PHE A 53 -0.260 -6.340 5.312 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.375 -6.635 4.545 1.00 0.00 C ATOM 770 CD2 PHE A 53 0.893 -5.910 4.675 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.340 -6.506 3.169 1.00 0.00 C ATOM 772 CE2 PHE A 53 0.934 -5.779 3.299 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.185 -6.077 2.546 1.00 0.00 C ATOM 0 H PHE A 53 1.110 -4.655 8.294 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.516 -4.711 6.922 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.693 -6.752 7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.968 -7.301 7.068 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.282 -6.969 5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.770 -5.674 5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.216 -6.741 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.839 -5.444 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.156 -5.975 1.471 1.00 0.00 H new ATOM 783 N PRO A 54 -2.719 -5.480 8.951 1.00 0.00 N ATOM 784 CA PRO A 54 -3.464 -5.795 10.174 1.00 0.00 C ATOM 785 C PRO A 54 -3.454 -7.286 10.492 1.00 0.00 C ATOM 786 O PRO A 54 -3.500 -8.124 9.591 1.00 0.00 O ATOM 787 CB PRO A 54 -4.885 -5.326 9.853 1.00 0.00 C ATOM 788 CG PRO A 54 -4.978 -5.387 8.367 1.00 0.00 C ATOM 789 CD PRO A 54 -3.604 -5.059 7.853 1.00 0.00 C ATOM 0 HA PRO A 54 -3.029 -5.315 11.051 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.630 -5.969 10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.060 -4.314 10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.293 -6.377 8.036 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.715 -4.676 7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.382 -5.595 6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.499 -3.996 7.638 1.00 0.00 H new ATOM 797 N VAL A 55 -3.395 -7.612 11.779 1.00 0.00 N ATOM 798 CA VAL A 55 -3.381 -9.003 12.216 1.00 0.00 C ATOM 799 C VAL A 55 -4.787 -9.594 12.216 1.00 0.00 C ATOM 800 O VAL A 55 -5.741 -8.947 12.647 1.00 0.00 O ATOM 801 CB VAL A 55 -2.777 -9.143 13.626 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.817 -10.593 14.082 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.354 -8.605 13.651 1.00 0.00 C ATOM 0 H VAL A 55 -3.356 -6.931 12.538 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.760 -9.551 11.507 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.376 -8.553 14.320 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.386 -10.673 15.080 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.850 -10.939 14.104 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.243 -11.208 13.389 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.942 -8.712 14.655 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.741 -9.166 12.946 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.358 -7.552 13.371 1.00 0.00 H new ATOM 813 N GLU A 56 -4.905 -10.825 11.731 1.00 0.00 N ATOM 814 CA GLU A 56 -6.196 -11.502 11.675 1.00 0.00 C ATOM 815 C GLU A 56 -7.058 -11.132 12.879 1.00 0.00 C ATOM 816 O GLU A 56 -8.191 -10.682 12.729 1.00 0.00 O ATOM 817 CB GLU A 56 -5.999 -13.019 11.622 1.00 0.00 C ATOM 818 CG GLU A 56 -7.060 -13.742 10.811 1.00 0.00 C ATOM 819 CD GLU A 56 -8.232 -14.199 11.657 1.00 0.00 C ATOM 820 OE1 GLU A 56 -8.698 -13.407 12.502 1.00 0.00 O ATOM 821 OE2 GLU A 56 -8.683 -15.350 11.474 1.00 0.00 O ATOM 0 H GLU A 56 -4.124 -11.374 11.371 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.709 -11.177 10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.019 -13.235 11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.999 -13.413 12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.422 -13.082 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.611 -14.607 10.322 1.00 0.00 H new ATOM 828 N GLY A 57 -6.508 -11.327 14.075 1.00 0.00 N ATOM 829 CA GLY A 57 -7.239 -11.009 15.288 1.00 0.00 C ATOM 830 C GLY A 57 -8.119 -9.785 15.130 1.00 0.00 C ATOM 831 O GLY A 57 -9.332 -9.854 15.323 1.00 0.00 O ATOM 0 H GLY A 57 -5.570 -11.699 14.225 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.856 -11.862 15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.533 -10.842 16.101 1.00 0.00 H new ATOM 835 N SER A 58 -7.505 -8.659 14.780 1.00 0.00 N ATOM 836 CA SER A 58 -8.240 -7.411 14.603 1.00 0.00 C ATOM 837 C SER A 58 -9.366 -7.583 13.589 1.00 0.00 C ATOM 838 O SER A 58 -10.491 -7.140 13.813 1.00 0.00 O ATOM 839 CB SER A 58 -7.293 -6.298 14.148 1.00 0.00 C ATOM 840 OG SER A 58 -6.557 -5.777 15.240 1.00 0.00 O ATOM 0 H SER A 58 -6.501 -8.585 14.613 1.00 0.00 H new ATOM 0 HA SER A 58 -8.678 -7.136 15.562 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.607 -6.685 13.395 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.866 -5.499 13.677 1.00 0.00 H new ATOM 0 HG SER A 58 -5.958 -5.069 14.923 1.00 0.00 H new ATOM 846 N GLY A 59 -9.053 -8.232 12.471 1.00 0.00 N ATOM 847 CA GLY A 59 -10.048 -8.452 11.438 1.00 0.00 C ATOM 848 C GLY A 59 -10.276 -7.222 10.581 1.00 0.00 C ATOM 849 O GLY A 59 -11.417 -6.853 10.305 1.00 0.00 O ATOM 0 H GLY A 59 -8.128 -8.609 12.263 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.731 -9.280 10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.989 -8.748 11.901 1.00 0.00 H new ATOM 853 N SER A 60 -9.188 -6.585 10.162 1.00 0.00 N ATOM 854 CA SER A 60 -9.274 -5.386 9.336 1.00 0.00 C ATOM 855 C SER A 60 -8.659 -5.627 7.961 1.00 0.00 C ATOM 856 O SER A 60 -7.473 -5.942 7.846 1.00 0.00 O ATOM 857 CB SER A 60 -8.571 -4.215 10.024 1.00 0.00 C ATOM 858 OG SER A 60 -8.556 -3.068 9.192 1.00 0.00 O ATOM 0 H SER A 60 -8.236 -6.879 10.381 1.00 0.00 H new ATOM 0 HA SER A 60 -10.328 -5.141 9.205 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.078 -3.982 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.549 -4.498 10.277 1.00 0.00 H new ATOM 0 HG SER A 60 -8.102 -2.333 9.656 1.00 0.00 H new ATOM 864 N ASP A 61 -9.471 -5.478 6.921 1.00 0.00 N ATOM 865 CA ASP A 61 -9.008 -5.679 5.553 1.00 0.00 C ATOM 866 C ASP A 61 -8.518 -4.366 4.948 1.00 0.00 C ATOM 867 O ASP A 61 -8.660 -4.133 3.747 1.00 0.00 O ATOM 868 CB ASP A 61 -10.128 -6.266 4.693 1.00 0.00 C ATOM 869 CG ASP A 61 -11.504 -5.834 5.162 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.705 -4.621 5.380 1.00 0.00 O ATOM 871 OD2 ASP A 61 -12.380 -6.711 5.312 1.00 0.00 O ATOM 0 H ASP A 61 -10.454 -5.218 6.999 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.175 -6.381 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.987 -5.957 3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.065 -7.354 4.713 1.00 0.00 H new ATOM 876 N THR A 62 -7.942 -3.511 5.787 1.00 0.00 N ATOM 877 CA THR A 62 -7.434 -2.223 5.335 1.00 0.00 C ATOM 878 C THR A 62 -5.938 -2.098 5.599 1.00 0.00 C ATOM 879 O THR A 62 -5.504 -2.037 6.750 1.00 0.00 O ATOM 880 CB THR A 62 -8.165 -1.057 6.028 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.542 -1.040 5.635 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.515 0.274 5.677 1.00 0.00 C ATOM 0 H THR A 62 -7.816 -3.688 6.784 1.00 0.00 H new ATOM 0 HA THR A 62 -7.616 -2.171 4.262 1.00 0.00 H new ATOM 0 HB THR A 62 -8.097 -1.203 7.106 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.000 -0.297 6.081 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.048 1.082 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.475 0.268 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.556 0.426 4.598 1.00 0.00 H new ATOM 890 N VAL A 63 -5.153 -2.060 4.527 1.00 0.00 N ATOM 891 CA VAL A 63 -3.705 -1.940 4.644 1.00 0.00 C ATOM 892 C VAL A 63 -3.288 -0.490 4.862 1.00 0.00 C ATOM 893 O VAL A 63 -3.908 0.431 4.331 1.00 0.00 O ATOM 894 CB VAL A 63 -2.994 -2.484 3.389 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.485 -2.365 3.537 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.401 -3.926 3.130 1.00 0.00 C ATOM 0 H VAL A 63 -5.496 -2.111 3.568 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.407 -2.534 5.508 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.299 -1.885 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.000 -2.754 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.214 -1.318 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.158 -2.938 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.890 -4.294 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.126 -4.541 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.479 -3.978 2.977 1.00 0.00 H new ATOM 906 N VAL A 64 -2.235 -0.294 5.649 1.00 0.00 N ATOM 907 CA VAL A 64 -1.734 1.044 5.936 1.00 0.00 C ATOM 908 C VAL A 64 -0.293 1.206 5.462 1.00 0.00 C ATOM 909 O VAL A 64 0.624 0.596 6.012 1.00 0.00 O ATOM 910 CB VAL A 64 -1.804 1.357 7.443 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.369 2.789 7.712 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.208 1.110 7.973 1.00 0.00 C ATOM 0 H VAL A 64 -1.712 -1.045 6.099 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.372 1.743 5.396 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.119 0.690 7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.425 2.991 8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.344 2.928 7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.026 3.475 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.240 1.336 9.039 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.914 1.751 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.478 0.066 7.815 1.00 0.00 H new ATOM 922 N ILE A 65 -0.103 2.031 4.438 1.00 0.00 N ATOM 923 CA ILE A 65 1.225 2.275 3.891 1.00 0.00 C ATOM 924 C ILE A 65 1.768 3.625 4.345 1.00 0.00 C ATOM 925 O ILE A 65 1.015 4.585 4.510 1.00 0.00 O ATOM 926 CB ILE A 65 1.217 2.228 2.351 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.602 0.916 1.862 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.628 2.394 1.809 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.239 0.929 0.394 1.00 0.00 C ATOM 0 H ILE A 65 -0.852 2.542 3.971 1.00 0.00 H new ATOM 0 HA ILE A 65 1.871 1.482 4.267 1.00 0.00 H new ATOM 0 HB ILE A 65 0.608 3.052 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.305 0.104 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.293 0.703 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.606 2.359 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.032 3.353 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.259 1.589 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.192 -0.033 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.488 1.719 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.134 1.110 -0.201 1.00 0.00 H new ATOM 941 N ARG A 66 3.081 3.693 4.543 1.00 0.00 N ATOM 942 CA ARG A 66 3.725 4.927 4.977 1.00 0.00 C ATOM 943 C ARG A 66 4.945 5.236 4.114 1.00 0.00 C ATOM 944 O ARG A 66 5.656 4.331 3.681 1.00 0.00 O ATOM 945 CB ARG A 66 4.139 4.821 6.446 1.00 0.00 C ATOM 946 CG ARG A 66 3.041 5.221 7.418 1.00 0.00 C ATOM 947 CD ARG A 66 3.176 4.486 8.744 1.00 0.00 C ATOM 948 NE ARG A 66 4.091 5.167 9.656 1.00 0.00 N ATOM 949 CZ ARG A 66 3.729 6.174 10.443 1.00 0.00 C ATOM 950 NH1 ARG A 66 2.479 6.614 10.430 1.00 0.00 N ATOM 951 NH2 ARG A 66 4.619 6.742 11.246 1.00 0.00 N ATOM 0 H ARG A 66 3.719 2.908 4.410 1.00 0.00 H new ATOM 0 HA ARG A 66 3.008 5.741 4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.443 3.795 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.011 5.453 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.081 6.296 7.591 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.067 5.005 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.195 4.399 9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.533 3.472 8.562 1.00 0.00 H new ATOM 0 HE ARG A 66 5.061 4.852 9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.792 6.179 9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.204 7.387 11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.582 6.406 11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.341 7.515 11.850 1.00 0.00 H new ATOM 965 N GLY A 67 5.180 6.522 3.869 1.00 0.00 N ATOM 966 CA GLY A 67 6.314 6.927 3.059 1.00 0.00 C ATOM 967 C GLY A 67 5.989 8.099 2.154 1.00 0.00 C ATOM 968 O GLY A 67 4.930 8.717 2.257 1.00 0.00 O ATOM 0 H GLY A 67 4.606 7.290 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.146 7.195 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.643 6.083 2.452 1.00 0.00 H new ATOM 972 N PRO A 68 6.918 8.422 1.241 1.00 0.00 N ATOM 973 CA PRO A 68 6.749 9.530 0.298 1.00 0.00 C ATOM 974 C PRO A 68 5.680 9.241 -0.750 1.00 0.00 C ATOM 975 O PRO A 68 5.842 8.355 -1.588 1.00 0.00 O ATOM 976 CB PRO A 68 8.126 9.648 -0.361 1.00 0.00 C ATOM 977 CG PRO A 68 8.725 8.290 -0.234 1.00 0.00 C ATOM 978 CD PRO A 68 8.205 7.729 1.061 1.00 0.00 C ATOM 0 HA PRO A 68 6.420 10.442 0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.040 9.947 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.740 10.399 0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.441 7.658 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.814 8.342 -0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.075 6.648 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.887 7.927 1.888 1.00 0.00 H new ATOM 986 N SER A 69 4.587 9.997 -0.698 1.00 0.00 N ATOM 987 CA SER A 69 3.490 9.820 -1.641 1.00 0.00 C ATOM 988 C SER A 69 4.016 9.441 -3.022 1.00 0.00 C ATOM 989 O SER A 69 3.514 8.513 -3.657 1.00 0.00 O ATOM 990 CB SER A 69 2.657 11.099 -1.733 1.00 0.00 C ATOM 991 OG SER A 69 3.488 12.245 -1.802 1.00 0.00 O ATOM 0 H SER A 69 4.439 10.738 -0.013 1.00 0.00 H new ATOM 0 HA SER A 69 2.858 9.009 -1.277 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.016 11.057 -2.614 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.001 11.173 -0.865 1.00 0.00 H new ATOM 0 HG SER A 69 2.932 13.049 -1.862 1.00 0.00 H new ATOM 997 N SER A 70 5.031 10.166 -3.481 1.00 0.00 N ATOM 998 CA SER A 70 5.624 9.910 -4.789 1.00 0.00 C ATOM 999 C SER A 70 5.852 8.416 -4.998 1.00 0.00 C ATOM 1000 O SER A 70 5.514 7.866 -6.046 1.00 0.00 O ATOM 1001 CB SER A 70 6.947 10.664 -4.928 1.00 0.00 C ATOM 1002 OG SER A 70 6.731 12.002 -5.344 1.00 0.00 O ATOM 0 H SER A 70 5.460 10.935 -2.967 1.00 0.00 H new ATOM 0 HA SER A 70 4.930 10.264 -5.552 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.475 10.657 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.586 10.154 -5.649 1.00 0.00 H new ATOM 0 HG SER A 70 7.592 12.463 -5.424 1.00 0.00 H new ATOM 1008 N ASP A 71 6.429 7.766 -3.993 1.00 0.00 N ATOM 1009 CA ASP A 71 6.703 6.335 -4.066 1.00 0.00 C ATOM 1010 C ASP A 71 5.469 5.525 -3.681 1.00 0.00 C ATOM 1011 O ASP A 71 5.132 4.539 -4.335 1.00 0.00 O ATOM 1012 CB ASP A 71 7.872 5.971 -3.149 1.00 0.00 C ATOM 1013 CG ASP A 71 9.096 6.828 -3.404 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.183 7.430 -4.496 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.967 6.899 -2.512 1.00 0.00 O ATOM 0 H ASP A 71 6.716 8.207 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 71 6.968 6.093 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.563 6.083 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.130 4.922 -3.293 1.00 0.00 H new ATOM 1020 N VAL A 72 4.797 5.949 -2.615 1.00 0.00 N ATOM 1021 CA VAL A 72 3.600 5.264 -2.143 1.00 0.00 C ATOM 1022 C VAL A 72 2.688 4.889 -3.306 1.00 0.00 C ATOM 1023 O VAL A 72 2.205 3.760 -3.388 1.00 0.00 O ATOM 1024 CB VAL A 72 2.812 6.134 -1.146 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.575 5.397 -0.657 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.697 6.540 0.023 1.00 0.00 C ATOM 0 H VAL A 72 5.062 6.764 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 72 3.932 4.357 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 72 2.488 7.040 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.031 6.027 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.933 5.162 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.874 4.474 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.124 7.154 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.053 5.647 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.549 7.110 -0.347 1.00 0.00 H new ATOM 1036 N GLU A 73 2.456 5.843 -4.201 1.00 0.00 N ATOM 1037 CA GLU A 73 1.600 5.613 -5.359 1.00 0.00 C ATOM 1038 C GLU A 73 2.065 4.388 -6.143 1.00 0.00 C ATOM 1039 O GLU A 73 1.253 3.577 -6.588 1.00 0.00 O ATOM 1040 CB GLU A 73 1.593 6.842 -6.269 1.00 0.00 C ATOM 1041 CG GLU A 73 2.713 6.846 -7.296 1.00 0.00 C ATOM 1042 CD GLU A 73 2.656 8.048 -8.217 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.522 9.181 -7.708 1.00 0.00 O ATOM 1044 OE2 GLU A 73 2.747 7.858 -9.449 1.00 0.00 O ATOM 0 H GLU A 73 2.849 6.783 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 73 0.587 5.431 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.636 6.894 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.672 7.739 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.673 6.833 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.658 5.934 -7.891 1.00 0.00 H new ATOM 1051 N LYS A 74 3.378 4.262 -6.308 1.00 0.00 N ATOM 1052 CA LYS A 74 3.952 3.138 -7.037 1.00 0.00 C ATOM 1053 C LYS A 74 3.799 1.841 -6.248 1.00 0.00 C ATOM 1054 O LYS A 74 3.512 0.788 -6.816 1.00 0.00 O ATOM 1055 CB LYS A 74 5.432 3.397 -7.330 1.00 0.00 C ATOM 1056 CG LYS A 74 5.679 4.647 -8.156 1.00 0.00 C ATOM 1057 CD LYS A 74 7.124 4.735 -8.614 1.00 0.00 C ATOM 1058 CE LYS A 74 7.413 3.757 -9.743 1.00 0.00 C ATOM 1059 NZ LYS A 74 7.121 4.349 -11.078 1.00 0.00 N ATOM 0 H LYS A 74 4.064 4.925 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 74 3.413 3.035 -7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.971 3.483 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.846 2.537 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.020 4.646 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.429 5.529 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.340 5.750 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.786 4.528 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.459 3.453 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.814 2.857 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.331 3.652 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.117 4.616 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.711 5.194 -11.220 1.00 0.00 H new ATOM 1073 N ALA A 75 3.989 1.927 -4.935 1.00 0.00 N ATOM 1074 CA ALA A 75 3.868 0.762 -4.068 1.00 0.00 C ATOM 1075 C ALA A 75 2.423 0.280 -3.995 1.00 0.00 C ATOM 1076 O ALA A 75 2.162 -0.918 -3.888 1.00 0.00 O ATOM 1077 CB ALA A 75 4.391 1.083 -2.675 1.00 0.00 C ATOM 0 H ALA A 75 4.227 2.792 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 75 4.470 -0.041 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.294 0.204 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.440 1.372 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.814 1.904 -2.250 1.00 0.00 H new ATOM 1083 N LYS A 76 1.487 1.221 -4.052 1.00 0.00 N ATOM 1084 CA LYS A 76 0.068 0.893 -3.992 1.00 0.00 C ATOM 1085 C LYS A 76 -0.373 0.153 -5.250 1.00 0.00 C ATOM 1086 O LYS A 76 -0.907 -0.954 -5.176 1.00 0.00 O ATOM 1087 CB LYS A 76 -0.764 2.167 -3.819 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.263 1.920 -3.818 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.038 3.188 -4.128 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.513 3.038 -3.789 1.00 0.00 C ATOM 1091 NZ LYS A 76 -4.777 3.279 -2.343 1.00 0.00 N ATOM 0 H LYS A 76 1.686 2.218 -4.140 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.093 0.241 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.483 2.650 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.519 2.862 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.507 1.155 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.568 1.535 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.617 4.020 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.930 3.432 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.096 3.739 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.847 2.036 -4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.749 2.989 -2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.107 2.726 -1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.659 4.291 -2.133 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.145 0.770 -6.405 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.516 0.169 -7.680 1.00 0.00 C ATOM 1107 C LYS A 77 0.064 -1.237 -7.808 1.00 0.00 C ATOM 1108 O LYS A 77 -0.537 -2.111 -8.432 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.028 1.040 -8.840 1.00 0.00 C ATOM 1110 CG LYS A 77 1.377 0.701 -9.306 1.00 0.00 C ATOM 1111 CD LYS A 77 1.985 1.836 -10.114 1.00 0.00 C ATOM 1112 CE LYS A 77 1.680 1.691 -11.597 1.00 0.00 C ATOM 1113 NZ LYS A 77 2.682 0.834 -12.288 1.00 0.00 N ATOM 0 H LYS A 77 0.295 1.687 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.603 0.100 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.716 0.932 -9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.058 2.086 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.007 0.490 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.352 -0.205 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.597 2.789 -9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.064 1.853 -9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.686 1.261 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.663 2.677 -12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.439 0.760 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.627 1.257 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.681 -0.114 -11.861 1.00 0.00 H new ATOM 1127 N GLN A 78 1.234 -1.446 -7.213 1.00 0.00 N ATOM 1128 CA GLN A 78 1.892 -2.745 -7.259 1.00 0.00 C ATOM 1129 C GLN A 78 1.160 -3.760 -6.387 1.00 0.00 C ATOM 1130 O GLN A 78 1.010 -4.924 -6.762 1.00 0.00 O ATOM 1131 CB GLN A 78 3.348 -2.620 -6.805 1.00 0.00 C ATOM 1132 CG GLN A 78 4.277 -2.083 -7.881 1.00 0.00 C ATOM 1133 CD GLN A 78 5.732 -2.420 -7.616 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.118 -3.589 -7.605 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.547 -1.394 -7.403 1.00 0.00 N ATOM 0 H GLN A 78 1.745 -0.732 -6.694 1.00 0.00 H new ATOM 0 HA GLN A 78 1.869 -3.098 -8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.394 -1.963 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.705 -3.599 -6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.983 -2.493 -8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.164 -1.001 -7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.183 -0.441 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.537 -1.558 -7.221 1.00 0.00 H new ATOM 1144 N LEU A 79 0.707 -3.312 -5.222 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.010 -4.180 -4.294 1.00 0.00 C ATOM 1146 C LEU A 79 -1.359 -4.598 -4.872 1.00 0.00 C ATOM 1147 O LEU A 79 -1.756 -5.759 -4.773 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.213 -3.471 -2.954 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.258 -4.371 -1.719 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.143 -4.594 -1.171 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.160 -3.768 -0.652 1.00 0.00 C ATOM 0 H LEU A 79 0.823 -2.352 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 79 0.590 -5.076 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.592 -2.748 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.144 -2.906 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.670 -5.337 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.092 -5.237 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.760 -5.070 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.582 -3.636 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.180 -4.422 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.777 -2.789 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.170 -3.660 -1.048 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.060 -3.644 -5.476 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.363 -3.912 -6.072 1.00 0.00 C ATOM 1165 C LEU A 80 -3.252 -4.958 -7.177 1.00 0.00 C ATOM 1166 O LEU A 80 -4.038 -5.904 -7.231 1.00 0.00 O ATOM 1167 CB LEU A 80 -3.964 -2.622 -6.633 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.832 -1.812 -5.670 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -3.967 -0.909 -4.803 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.858 -0.992 -6.438 1.00 0.00 C ATOM 0 H LEU A 80 -1.747 -2.677 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.018 -4.302 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.149 -1.986 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.564 -2.875 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.364 -2.506 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.602 -0.340 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.271 -1.517 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.408 -0.222 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.467 -0.422 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.345 -0.307 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.498 -1.659 -7.016 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.269 -4.781 -8.054 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.053 -5.712 -9.157 1.00 0.00 C ATOM 1184 C HIS A 81 -1.841 -7.131 -8.637 1.00 0.00 C ATOM 1185 O HIS A 81 -2.582 -8.050 -8.990 1.00 0.00 O ATOM 1186 CB HIS A 81 -0.849 -5.277 -9.990 1.00 0.00 C ATOM 1187 CG HIS A 81 -0.758 -5.964 -11.318 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -1.819 -6.049 -12.195 1.00 0.00 N ATOM 1189 CD2 HIS A 81 0.276 -6.601 -11.917 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.441 -6.709 -13.276 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.175 -7.055 -13.132 1.00 0.00 N ATOM 0 H HIS A 81 -1.610 -4.003 -8.023 1.00 0.00 H new ATOM 0 HA HIS A 81 -2.943 -5.704 -9.786 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.899 -4.200 -10.150 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.063 -5.473 -9.426 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.270 -6.728 -11.514 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.062 -6.928 -14.132 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.378 -7.575 -13.813 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.827 -7.303 -7.797 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.516 -8.610 -7.229 1.00 0.00 C ATOM 1201 C LEU A 82 -1.720 -9.179 -6.484 1.00 0.00 C ATOM 1202 O LEU A 82 -2.216 -10.255 -6.818 1.00 0.00 O ATOM 1203 CB LEU A 82 0.681 -8.505 -6.283 1.00 0.00 C ATOM 1204 CG LEU A 82 1.927 -7.824 -6.849 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.855 -7.391 -5.726 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.651 -8.753 -7.813 1.00 0.00 C ATOM 0 H LEU A 82 -0.205 -6.553 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.266 -9.285 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.368 -7.961 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.955 -9.510 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 82 1.614 -6.935 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.736 -6.908 -6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.334 -6.690 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.161 -8.264 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.535 -8.252 -8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.951 -9.660 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.986 -9.014 -8.636 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.185 -8.449 -5.477 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.333 -8.879 -4.688 1.00 0.00 C ATOM 1220 C ALA A 83 -4.349 -9.616 -5.553 1.00 0.00 C ATOM 1221 O ALA A 83 -4.845 -10.677 -5.175 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.985 -7.682 -4.010 1.00 0.00 C ATOM 0 H ALA A 83 -1.785 -7.557 -5.188 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.978 -9.569 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.841 -8.017 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.263 -7.198 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.319 -6.972 -4.767 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.653 -9.048 -6.715 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.611 -9.653 -7.634 1.00 0.00 C ATOM 1230 C GLU A 84 -4.993 -10.846 -8.357 1.00 0.00 C ATOM 1231 O GLU A 84 -5.591 -11.919 -8.427 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.096 -8.620 -8.653 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.712 -7.384 -8.021 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.123 -7.625 -7.520 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -8.936 -8.185 -8.283 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.413 -7.255 -6.363 1.00 0.00 O ATOM 0 H GLU A 84 -4.250 -8.170 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.462 -10.005 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.256 -8.318 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.831 -9.087 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.087 -7.056 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.723 -6.575 -8.751 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.792 -10.649 -8.893 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.094 -11.708 -9.611 1.00 0.00 C ATOM 1245 C GLU A 85 -3.181 -13.030 -8.853 1.00 0.00 C ATOM 1246 O GLU A 85 -3.753 -14.004 -9.343 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.629 -11.327 -9.828 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.382 -10.570 -11.122 1.00 0.00 C ATOM 1249 CD GLU A 85 -1.522 -11.451 -12.349 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -0.594 -12.239 -12.623 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -2.560 -11.351 -13.036 1.00 0.00 O ATOM 0 H GLU A 85 -3.283 -9.766 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.577 -11.833 -10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.293 -10.716 -8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.023 -12.233 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.085 -9.740 -11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.381 -10.139 -11.101 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.609 -13.054 -7.653 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.621 -14.255 -6.825 1.00 0.00 C ATOM 1260 C LYS A 86 -4.049 -14.731 -6.578 1.00 0.00 C ATOM 1261 O LYS A 86 -4.330 -15.928 -6.635 1.00 0.00 O ATOM 1262 CB LYS A 86 -1.925 -13.983 -5.489 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.423 -14.202 -5.531 1.00 0.00 C ATOM 1264 CD LYS A 86 0.311 -12.951 -5.985 1.00 0.00 C ATOM 1265 CE LYS A 86 1.776 -12.986 -5.577 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.457 -11.689 -5.846 1.00 0.00 N ATOM 0 H LYS A 86 -2.132 -12.256 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.082 -15.039 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.126 -12.955 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.357 -14.630 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.069 -14.494 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.193 -15.025 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.236 -12.857 -7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.167 -12.071 -5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.852 -13.223 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.285 -13.783 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.458 -11.862 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.001 -11.218 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.388 -11.080 -5.006 1.00 0.00 H new ATOM 1280 N GLN A 87 -4.945 -13.788 -6.308 1.00 0.00 N ATOM 1281 CA GLN A 87 -6.343 -14.114 -6.054 1.00 0.00 C ATOM 1282 C GLN A 87 -6.801 -15.270 -6.936 1.00 0.00 C ATOM 1283 O GLN A 87 -6.791 -15.172 -8.164 1.00 0.00 O ATOM 1284 CB GLN A 87 -7.226 -12.889 -6.298 1.00 0.00 C ATOM 1285 CG GLN A 87 -8.590 -12.979 -5.632 1.00 0.00 C ATOM 1286 CD GLN A 87 -9.534 -11.882 -6.084 1.00 0.00 C ATOM 1287 OE1 GLN A 87 -10.581 -12.151 -6.673 1.00 0.00 O ATOM 1288 NE2 GLN A 87 -9.167 -10.636 -5.808 1.00 0.00 N ATOM 0 H GLN A 87 -4.728 -12.793 -6.259 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.436 -14.418 -5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.710 -12.001 -5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.363 -12.758 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.035 -13.949 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.466 -12.924 -4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.290 -10.459 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.762 -9.856 -6.086 1.00 0.00 H new ATOM 1297 N THR A 88 -7.203 -16.368 -6.303 1.00 0.00 N ATOM 1298 CA THR A 88 -7.664 -17.544 -7.030 1.00 0.00 C ATOM 1299 C THR A 88 -8.913 -17.232 -7.847 1.00 0.00 C ATOM 1300 O THR A 88 -8.984 -17.545 -9.035 1.00 0.00 O ATOM 1301 CB THR A 88 -7.969 -18.712 -6.073 1.00 0.00 C ATOM 1302 OG1 THR A 88 -8.858 -18.278 -5.038 1.00 0.00 O ATOM 1303 CG2 THR A 88 -6.688 -19.254 -5.455 1.00 0.00 C ATOM 0 H THR A 88 -7.218 -16.467 -5.288 1.00 0.00 H new ATOM 0 HA THR A 88 -6.857 -17.836 -7.703 1.00 0.00 H new ATOM 0 HB THR A 88 -8.442 -19.509 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.048 -19.027 -4.435 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.928 -20.078 -4.783 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.026 -19.611 -6.244 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.191 -18.462 -4.895 1.00 0.00 H new ATOM 1311 N LYS A 89 -9.895 -16.613 -7.202 1.00 0.00 N ATOM 1312 CA LYS A 89 -11.142 -16.255 -7.869 1.00 0.00 C ATOM 1313 C LYS A 89 -10.905 -15.187 -8.931 1.00 0.00 C ATOM 1314 O LYS A 89 -9.915 -14.455 -8.879 1.00 0.00 O ATOM 1315 CB LYS A 89 -12.166 -15.755 -6.847 1.00 0.00 C ATOM 1316 CG LYS A 89 -13.605 -16.037 -7.240 1.00 0.00 C ATOM 1317 CD LYS A 89 -13.918 -17.523 -7.183 1.00 0.00 C ATOM 1318 CE LYS A 89 -15.389 -17.795 -7.459 1.00 0.00 C ATOM 1319 NZ LYS A 89 -15.744 -19.221 -7.222 1.00 0.00 N ATOM 0 H LYS A 89 -9.852 -16.348 -6.218 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.532 -17.148 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.963 -16.222 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.039 -14.681 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.278 -15.497 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.788 -15.664 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.306 -18.053 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.653 -17.914 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.002 -17.158 -6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.620 -17.530 -8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.755 -19.365 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.178 -19.828 -7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.548 -19.467 -6.231 1.00 0.00 H new ATOM 1333 N SER A 90 -11.818 -15.100 -9.892 1.00 0.00 N ATOM 1334 CA SER A 90 -11.706 -14.122 -10.968 1.00 0.00 C ATOM 1335 C SER A 90 -11.987 -12.714 -10.453 1.00 0.00 C ATOM 1336 O SER A 90 -11.113 -11.848 -10.472 1.00 0.00 O ATOM 1337 CB SER A 90 -12.675 -14.465 -12.101 1.00 0.00 C ATOM 1338 OG SER A 90 -12.219 -15.586 -12.839 1.00 0.00 O ATOM 0 H SER A 90 -12.644 -15.695 -9.948 1.00 0.00 H new ATOM 0 HA SER A 90 -10.686 -14.154 -11.350 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.662 -14.674 -11.689 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.782 -13.607 -12.765 1.00 0.00 H new ATOM 0 HG SER A 90 -12.856 -15.787 -13.556 1.00 0.00 H new ATOM 1344 N GLY A 91 -13.215 -12.493 -9.992 1.00 0.00 N ATOM 1345 CA GLY A 91 -13.590 -11.188 -9.477 1.00 0.00 C ATOM 1346 C GLY A 91 -14.547 -10.456 -10.398 1.00 0.00 C ATOM 1347 O GLY A 91 -14.306 -10.321 -11.599 1.00 0.00 O ATOM 0 H GLY A 91 -13.956 -13.193 -9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.052 -11.306 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.693 -10.585 -9.336 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.661 -9.968 -9.834 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.680 -9.238 -10.594 1.00 0.00 C ATOM 1353 C PRO A 92 -16.192 -7.866 -11.048 1.00 0.00 C ATOM 1354 O PRO A 92 -16.914 -7.133 -11.724 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.831 -9.094 -9.596 1.00 0.00 C ATOM 1356 CG PRO A 92 -17.182 -9.160 -8.257 1.00 0.00 C ATOM 1357 CD PRO A 92 -16.012 -10.093 -8.409 1.00 0.00 C ATOM 0 HA PRO A 92 -16.956 -9.759 -11.511 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.359 -8.150 -9.734 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.565 -9.891 -9.720 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.854 -8.172 -7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -17.879 -9.527 -7.503 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.182 -9.806 -7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -16.278 -11.117 -8.149 1.00 0.00 H new ATOM 1365 N SER A 93 -14.964 -7.526 -10.672 1.00 0.00 N ATOM 1366 CA SER A 93 -14.382 -6.240 -11.038 1.00 0.00 C ATOM 1367 C SER A 93 -14.682 -5.903 -12.494 1.00 0.00 C ATOM 1368 O SER A 93 -14.854 -6.793 -13.327 1.00 0.00 O ATOM 1369 CB SER A 93 -12.869 -6.258 -10.808 1.00 0.00 C ATOM 1370 OG SER A 93 -12.564 -6.285 -9.424 1.00 0.00 O ATOM 0 H SER A 93 -14.353 -8.123 -10.114 1.00 0.00 H new ATOM 0 HA SER A 93 -14.830 -5.473 -10.406 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.434 -7.130 -11.297 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.418 -5.378 -11.266 1.00 0.00 H new ATOM 0 HG SER A 93 -11.592 -6.298 -9.304 1.00 0.00 H new ATOM 1376 N SER A 94 -14.743 -4.610 -12.795 1.00 0.00 N ATOM 1377 CA SER A 94 -15.026 -4.153 -14.151 1.00 0.00 C ATOM 1378 C SER A 94 -13.813 -4.348 -15.055 1.00 0.00 C ATOM 1379 O SER A 94 -13.892 -5.016 -16.085 1.00 0.00 O ATOM 1380 CB SER A 94 -15.436 -2.679 -14.140 1.00 0.00 C ATOM 1381 OG SER A 94 -15.370 -2.121 -15.441 1.00 0.00 O ATOM 0 H SER A 94 -14.600 -3.860 -12.118 1.00 0.00 H new ATOM 0 HA SER A 94 -15.850 -4.749 -14.544 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.450 -2.583 -13.751 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.783 -2.122 -13.468 1.00 0.00 H new ATOM 0 HG SER A 94 -15.638 -1.179 -15.407 1.00 0.00 H new ATOM 1387 N GLY A 95 -12.688 -3.757 -14.661 1.00 0.00 N ATOM 1388 CA GLY A 95 -11.473 -3.877 -15.445 1.00 0.00 C ATOM 1389 C GLY A 95 -11.351 -2.791 -16.495 1.00 0.00 C ATOM 1390 O GLY A 95 -11.630 -1.622 -16.224 1.00 0.00 O ATOM 0 H GLY A 95 -12.597 -3.198 -13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.610 -3.834 -14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.453 -4.852 -15.931 1.00 0.00 H new TER 1394 GLY A 95