USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 565 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 67 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00567) USER MOD Set 1.2: A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= -0.0313 USER MOD Set 2.2: A 50 MET CE :methyl 175:sc= -0.745 (180deg=-0.836) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 26 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Set 4.1: A 15 THR OG1 : rot 98:sc= -0.152 USER MOD Set 4.2: A 42 GLN : amide:sc= -1.21 K(o=-1.4,f=0.035) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -102:sc= 0.645 (180deg=-0.017) USER MOD Single : A 2 GLN : amide:sc= -0.792 K(o=-0.79,f=-2.8!) USER MOD Single : A 3 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.38) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 6 GLN : amide:sc= -0.0064 X(o=-0.0064,f=-0.27) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0175 K(o=-0.018,f=-1.4) USER MOD Single : A 13 SER OG : rot 77:sc= 1.07 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.665 K(o=0.66,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0473 X(o=-0.047,f=-0.32) USER MOD Single : A 34 GLN : amide:sc= 0.712 K(o=0.71,f=-0.68) USER MOD Single : A 35 GLN : amide:sc= -0.0971 X(o=-0.097,f=-0.094) USER MOD Single : A 40 GLN : amide:sc= 0.203 X(o=0.2,f=-8.7e-05) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.511 K(o=-0.51,f=0.13) USER MOD Single : A 47 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.29) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.2) USER MOD Single : A 52 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.25) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc=-0.00398 X(o=-0.004,f=-0.01) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 61 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0.505 K(o=0.51,f=-0.53) USER MOD Single : A 66 GLN : amide:sc= -0.0081 X(o=-0.0081,f=-0.041) USER MOD Single : A 69 GLN : amide:sc= -0.0937 X(o=-0.094,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.571 -9.509 -4.313 1.00 25.00 N ATOM 2 CA MET A 1 6.311 -8.764 -4.080 1.00 25.00 C ATOM 3 C MET A 1 5.922 -7.853 -5.233 1.00 25.00 C ATOM 4 O MET A 1 6.667 -7.021 -5.701 1.00 25.00 O ATOM 5 CB MET A 1 6.426 -7.887 -2.808 1.00 25.00 C ATOM 6 CG MET A 1 6.657 -8.739 -1.578 1.00 25.00 C ATOM 7 SD MET A 1 8.414 -8.987 -1.156 1.00 25.00 S ATOM 8 CE MET A 1 8.239 -10.331 0.061 1.00 25.00 C ATOM 0 H1 MET A 1 7.350 -10.489 -4.583 1.00 25.00 H new ATOM 0 H2 MET A 1 8.108 -9.052 -5.077 1.00 25.00 H new ATOM 0 H3 MET A 1 8.140 -9.510 -3.442 1.00 25.00 H new ATOM 0 HA MET A 1 5.541 -9.528 -3.971 1.00 25.00 H new ATOM 0 HB2 MET A 1 7.247 -7.179 -2.923 1.00 25.00 H new ATOM 0 HB3 MET A 1 5.515 -7.301 -2.683 1.00 25.00 H new ATOM 0 HG2 MET A 1 6.154 -8.276 -0.730 1.00 25.00 H new ATOM 0 HG3 MET A 1 6.191 -9.712 -1.732 1.00 25.00 H new ATOM 0 HE1 MET A 1 9.223 -10.616 0.432 1.00 25.00 H new ATOM 0 HE2 MET A 1 7.622 -9.991 0.893 1.00 25.00 H new ATOM 0 HE3 MET A 1 7.766 -11.191 -0.413 1.00 25.00 H new ATOM 19 N GLN A 2 4.653 -7.981 -5.677 1.00 25.00 N ATOM 20 CA GLN A 2 4.087 -7.181 -6.770 1.00 25.00 C ATOM 21 C GLN A 2 3.669 -5.813 -6.219 1.00 25.00 C ATOM 22 O GLN A 2 2.494 -5.497 -6.075 1.00 25.00 O ATOM 23 CB GLN A 2 2.884 -7.912 -7.374 1.00 25.00 C ATOM 24 CG GLN A 2 3.251 -9.290 -8.028 1.00 25.00 C ATOM 25 CD GLN A 2 3.617 -10.372 -7.018 1.00 25.00 C ATOM 26 OE1 GLN A 2 3.089 -10.424 -5.919 1.00 25.00 O ATOM 27 NE2 GLN A 2 4.569 -11.193 -7.378 1.00 25.00 N ATOM 0 H GLN A 2 3.993 -8.649 -5.280 1.00 25.00 H new ATOM 0 HA GLN A 2 4.830 -7.038 -7.554 1.00 25.00 H new ATOM 0 HB2 GLN A 2 2.140 -8.076 -6.594 1.00 25.00 H new ATOM 0 HB3 GLN A 2 2.422 -7.273 -8.127 1.00 25.00 H new ATOM 0 HG2 GLN A 2 2.407 -9.634 -8.626 1.00 25.00 H new ATOM 0 HG3 GLN A 2 4.088 -9.146 -8.711 1.00 25.00 H new ATOM 0 HE21 GLN A 2 4.985 -11.116 -8.306 1.00 25.00 H new ATOM 0 HE22 GLN A 2 4.896 -11.910 -6.730 1.00 25.00 H new ATOM 36 N GLN A 3 4.633 -4.970 -5.901 1.00 25.00 N ATOM 37 CA GLN A 3 4.370 -3.625 -5.355 1.00 25.00 C ATOM 38 C GLN A 3 4.876 -2.528 -6.294 1.00 25.00 C ATOM 39 O GLN A 3 5.591 -2.817 -7.257 1.00 25.00 O ATOM 40 CB GLN A 3 5.018 -3.470 -3.970 1.00 25.00 C ATOM 41 CG GLN A 3 4.361 -4.348 -2.877 1.00 25.00 C ATOM 42 CD GLN A 3 2.893 -4.110 -2.816 1.00 25.00 C ATOM 43 OE1 GLN A 3 2.422 -2.991 -2.822 1.00 25.00 O ATOM 44 NE2 GLN A 3 2.127 -5.184 -2.806 1.00 25.00 N ATOM 0 H GLN A 3 5.624 -5.185 -6.009 1.00 25.00 H new ATOM 0 HA GLN A 3 3.290 -3.516 -5.259 1.00 25.00 H new ATOM 0 HB2 GLN A 3 6.075 -3.725 -4.042 1.00 25.00 H new ATOM 0 HB3 GLN A 3 4.962 -2.425 -3.667 1.00 25.00 H new ATOM 0 HG2 GLN A 3 4.555 -5.400 -3.085 1.00 25.00 H new ATOM 0 HG3 GLN A 3 4.810 -4.127 -1.909 1.00 25.00 H new ATOM 0 HE21 GLN A 3 2.550 -6.112 -2.801 1.00 25.00 H new ATOM 0 HE22 GLN A 3 1.112 -5.086 -2.803 1.00 25.00 H new ATOM 53 N LYS A 4 4.456 -1.296 -5.995 1.00 25.00 N ATOM 54 CA LYS A 4 4.791 -0.068 -6.729 1.00 25.00 C ATOM 55 C LYS A 4 4.317 0.003 -8.185 1.00 25.00 C ATOM 56 O LYS A 4 3.716 1.011 -8.575 1.00 25.00 O ATOM 57 CB LYS A 4 6.284 0.238 -6.640 1.00 25.00 C ATOM 58 CG LYS A 4 6.789 0.430 -5.219 1.00 25.00 C ATOM 59 CD LYS A 4 8.230 0.896 -5.246 1.00 25.00 C ATOM 60 CE LYS A 4 8.858 0.945 -3.845 1.00 25.00 C ATOM 61 NZ LYS A 4 8.180 1.947 -2.941 1.00 25.00 N ATOM 0 H LYS A 4 3.845 -1.117 -5.198 1.00 25.00 H new ATOM 0 HA LYS A 4 4.215 0.702 -6.216 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.840 -0.575 -7.106 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.495 1.139 -7.215 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.170 1.161 -4.699 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.710 -0.506 -4.665 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.813 0.227 -5.879 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.280 1.887 -5.698 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.803 -0.044 -3.391 1.00 25.00 H new ATOM 0 HE3 LYS A 4 9.915 1.197 -3.933 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 8.641 1.941 -2.009 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 8.254 2.897 -3.358 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 7.177 1.694 -2.833 1.00 25.00 H new ATOM 75 N GLN A 5 4.480 -1.061 -8.953 1.00 25.00 N ATOM 76 CA GLN A 5 3.960 -1.111 -10.318 1.00 25.00 C ATOM 77 C GLN A 5 2.446 -1.115 -10.280 1.00 25.00 C ATOM 78 O GLN A 5 1.809 -0.626 -11.188 1.00 25.00 O ATOM 79 CB GLN A 5 4.495 -2.323 -11.086 1.00 25.00 C ATOM 80 CG GLN A 5 6.018 -2.322 -11.267 1.00 25.00 C ATOM 81 CD GLN A 5 6.479 -3.262 -12.368 1.00 25.00 C ATOM 82 OE1 GLN A 5 5.828 -4.238 -12.679 1.00 25.00 O ATOM 83 NE2 GLN A 5 7.593 -2.942 -12.984 1.00 25.00 N ATOM 0 H GLN A 5 4.969 -1.906 -8.658 1.00 25.00 H new ATOM 0 HA GLN A 5 4.303 -0.225 -10.852 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.202 -3.232 -10.560 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.022 -2.356 -12.068 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.352 -1.310 -11.496 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.491 -2.609 -10.328 1.00 25.00 H new ATOM 0 HE21 GLN A 5 8.115 -2.114 -12.696 1.00 25.00 H new ATOM 0 HE22 GLN A 5 7.936 -3.521 -13.750 1.00 25.00 H new ATOM 92 N GLN A 6 1.902 -1.537 -9.149 1.00 25.00 N ATOM 93 CA GLN A 6 0.482 -1.420 -8.877 1.00 25.00 C ATOM 94 C GLN A 6 0.028 0.040 -8.878 1.00 25.00 C ATOM 95 O GLN A 6 -0.955 0.370 -9.495 1.00 25.00 O ATOM 96 CB GLN A 6 0.186 -2.012 -7.475 1.00 25.00 C ATOM 97 CG GLN A 6 0.463 -3.517 -7.358 1.00 25.00 C ATOM 98 CD GLN A 6 -0.464 -4.352 -8.204 1.00 25.00 C ATOM 99 OE1 GLN A 6 -1.662 -4.121 -8.237 1.00 25.00 O ATOM 100 NE2 GLN A 6 0.079 -5.334 -8.879 1.00 25.00 N ATOM 0 H GLN A 6 2.435 -1.970 -8.395 1.00 25.00 H new ATOM 0 HA GLN A 6 -0.054 -1.958 -9.659 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.788 -1.484 -6.735 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.859 -1.826 -7.227 1.00 25.00 H new ATOM 0 HG2 GLN A 6 1.493 -3.716 -7.653 1.00 25.00 H new ATOM 0 HG3 GLN A 6 0.366 -3.819 -6.315 1.00 25.00 H new ATOM 0 HE21 GLN A 6 1.085 -5.495 -8.825 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -0.504 -5.938 -9.459 1.00 25.00 H new ATOM 109 N ILE A 7 0.807 0.892 -8.211 1.00 25.00 N ATOM 110 CA ILE A 7 0.506 2.321 -8.155 1.00 25.00 C ATOM 111 C ILE A 7 0.633 2.905 -9.572 1.00 25.00 C ATOM 112 O ILE A 7 -0.232 3.643 -10.017 1.00 25.00 O ATOM 113 CB ILE A 7 1.475 3.028 -7.150 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.442 2.327 -5.778 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.104 4.534 -6.979 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.508 2.812 -4.794 1.00 25.00 C ATOM 0 H ILE A 7 1.648 0.618 -7.704 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.511 2.485 -7.799 1.00 25.00 H new ATOM 0 HB ILE A 7 2.483 2.961 -7.560 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.459 2.475 -5.332 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.565 1.255 -5.929 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.793 5.001 -6.275 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.173 5.038 -7.943 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.086 4.617 -6.599 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.412 2.266 -3.855 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.498 2.638 -5.215 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.374 3.878 -4.609 1.00 25.00 H new ATOM 128 N MET A 8 1.677 2.525 -10.293 1.00 25.00 N ATOM 129 CA MET A 8 1.867 2.982 -11.661 1.00 25.00 C ATOM 130 C MET A 8 0.713 2.565 -12.566 1.00 25.00 C ATOM 131 O MET A 8 0.295 3.349 -13.383 1.00 25.00 O ATOM 132 CB MET A 8 3.199 2.489 -12.211 1.00 25.00 C ATOM 133 CG MET A 8 4.399 3.008 -11.390 1.00 25.00 C ATOM 134 SD MET A 8 5.957 2.376 -12.029 1.00 25.00 S ATOM 135 CE MET A 8 6.404 3.698 -13.223 1.00 25.00 C ATOM 0 H MET A 8 2.407 1.900 -9.952 1.00 25.00 H new ATOM 0 HA MET A 8 1.882 4.072 -11.644 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.208 1.399 -12.214 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.304 2.811 -13.247 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.411 4.098 -11.411 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.284 2.710 -10.348 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.351 3.450 -13.703 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.625 3.783 -13.980 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.502 4.647 -12.695 1.00 25.00 H new ATOM 145 N ALA A 9 0.176 1.358 -12.390 1.00 25.00 N ATOM 146 CA ALA A 9 -0.935 0.889 -13.212 1.00 25.00 C ATOM 147 C ALA A 9 -2.175 1.712 -12.943 1.00 25.00 C ATOM 148 O ALA A 9 -2.907 2.059 -13.864 1.00 25.00 O ATOM 149 CB ALA A 9 -1.227 -0.596 -12.954 1.00 25.00 C ATOM 0 H ALA A 9 0.492 0.690 -11.687 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.649 1.006 -14.257 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.059 -0.917 -13.580 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.343 -1.188 -13.193 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.486 -0.739 -11.905 1.00 25.00 H new ATOM 155 N ALA A 10 -2.420 2.037 -11.669 1.00 25.00 N ATOM 156 CA ALA A 10 -3.586 2.837 -11.303 1.00 25.00 C ATOM 157 C ALA A 10 -3.434 4.290 -11.836 1.00 25.00 C ATOM 158 O ALA A 10 -4.395 4.924 -12.258 1.00 25.00 O ATOM 159 CB ALA A 10 -3.758 2.832 -9.774 1.00 25.00 C ATOM 0 H ALA A 10 -1.831 1.760 -10.884 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.476 2.402 -11.757 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.629 3.430 -9.504 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.899 1.808 -9.427 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.869 3.255 -9.306 1.00 25.00 H new ATOM 165 N LEU A 11 -2.200 4.774 -11.850 1.00 25.00 N ATOM 166 CA LEU A 11 -1.919 6.119 -12.349 1.00 25.00 C ATOM 167 C LEU A 11 -2.036 6.218 -13.857 1.00 25.00 C ATOM 168 O LEU A 11 -2.660 7.151 -14.377 1.00 25.00 O ATOM 169 CB LEU A 11 -0.504 6.558 -11.938 1.00 25.00 C ATOM 170 CG LEU A 11 -0.297 6.970 -10.481 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.175 7.192 -10.197 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.098 8.240 -10.168 1.00 25.00 C ATOM 0 H LEU A 11 -1.380 4.262 -11.525 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.668 6.774 -11.904 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.181 5.739 -12.158 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.213 7.396 -12.571 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.655 6.165 -9.839 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.304 7.485 -9.155 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.725 6.270 -10.386 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.556 7.981 -10.846 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.941 8.522 -9.127 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.765 9.050 -10.817 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.158 8.052 -10.337 1.00 25.00 H new ATOM 184 N ASN A 12 -1.492 5.238 -14.560 1.00 25.00 N ATOM 185 CA ASN A 12 -1.544 5.221 -16.010 1.00 25.00 C ATOM 186 C ASN A 12 -2.980 5.242 -16.464 1.00 25.00 C ATOM 187 O ASN A 12 -3.318 5.855 -17.465 1.00 25.00 O ATOM 188 CB ASN A 12 -0.884 3.962 -16.558 1.00 25.00 C ATOM 189 CG ASN A 12 0.613 3.947 -16.367 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.226 4.934 -15.971 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.201 2.822 -16.633 1.00 25.00 N ATOM 0 H ASN A 12 -1.008 4.441 -14.146 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.013 6.098 -16.380 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.316 3.090 -16.067 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.110 3.874 -17.621 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.210 2.734 -16.515 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.654 2.026 -16.960 1.00 25.00 H new ATOM 198 N SER A 13 -3.829 4.551 -15.708 1.00 25.00 N ATOM 199 CA SER A 13 -5.246 4.452 -16.053 1.00 25.00 C ATOM 200 C SER A 13 -5.936 5.829 -16.073 1.00 25.00 C ATOM 201 O SER A 13 -6.878 6.039 -16.826 1.00 25.00 O ATOM 202 CB SER A 13 -5.948 3.538 -15.060 1.00 25.00 C ATOM 203 OG SER A 13 -5.409 2.219 -15.126 1.00 25.00 O ATOM 0 H SER A 13 -3.564 4.054 -14.858 1.00 25.00 H new ATOM 0 HA SER A 13 -5.315 4.038 -17.059 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.835 3.933 -14.050 1.00 25.00 H new ATOM 0 HB3 SER A 13 -7.016 3.511 -15.274 1.00 25.00 H new ATOM 0 HG SER A 13 -4.545 2.195 -14.665 1.00 25.00 H new ATOM 209 N GLN A 14 -5.453 6.765 -15.273 1.00 25.00 N ATOM 210 CA GLN A 14 -6.038 8.102 -15.221 1.00 25.00 C ATOM 211 C GLN A 14 -5.494 8.965 -16.340 1.00 25.00 C ATOM 212 O GLN A 14 -6.122 9.925 -16.781 1.00 25.00 O ATOM 213 CB GLN A 14 -5.703 8.794 -13.901 1.00 25.00 C ATOM 214 CG GLN A 14 -6.282 8.142 -12.675 1.00 25.00 C ATOM 215 CD GLN A 14 -5.881 8.906 -11.413 1.00 25.00 C ATOM 216 OE1 GLN A 14 -6.024 10.115 -11.323 1.00 25.00 O ATOM 217 NE2 GLN A 14 -5.358 8.191 -10.442 1.00 25.00 N ATOM 0 H GLN A 14 -4.658 6.628 -14.649 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.117 7.984 -15.320 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.619 8.835 -13.795 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.057 9.824 -13.948 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.369 8.107 -12.755 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.934 7.111 -12.607 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -5.253 7.182 -10.551 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -5.057 8.645 -9.580 1.00 25.00 H new ATOM 226 N THR A 15 -4.287 8.658 -16.772 1.00 25.00 N ATOM 227 CA THR A 15 -3.569 9.528 -17.697 1.00 25.00 C ATOM 228 C THR A 15 -3.584 9.044 -19.132 1.00 25.00 C ATOM 229 O THR A 15 -3.115 9.744 -20.006 1.00 25.00 O ATOM 230 CB THR A 15 -2.113 9.636 -17.275 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.524 8.329 -17.229 1.00 25.00 O ATOM 232 CG2 THR A 15 -1.993 10.310 -15.898 1.00 25.00 C ATOM 0 H THR A 15 -3.779 7.816 -16.501 1.00 25.00 H new ATOM 0 HA THR A 15 -4.086 10.487 -17.656 1.00 25.00 H new ATOM 0 HB THR A 15 -1.585 10.248 -18.006 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.026 8.165 -18.057 1.00 25.00 H new ATOM 0 HG21 THR A 15 -0.942 10.377 -15.616 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.421 11.312 -15.945 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.531 9.720 -15.156 1.00 25.00 H new ATOM 240 N ALA A 16 -4.075 7.846 -19.381 1.00 25.00 N ATOM 241 CA ALA A 16 -4.009 7.228 -20.698 1.00 25.00 C ATOM 242 C ALA A 16 -4.490 8.119 -21.869 1.00 25.00 C ATOM 243 O ALA A 16 -3.686 8.600 -22.666 1.00 25.00 O ATOM 244 CB ALA A 16 -4.795 5.908 -20.668 1.00 25.00 C ATOM 0 H ALA A 16 -4.533 7.269 -18.676 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.952 7.056 -20.902 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.752 5.437 -21.650 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.357 5.241 -19.926 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.834 6.109 -20.407 1.00 25.00 H new ATOM 250 N VAL A 17 -5.797 8.372 -21.946 1.00 25.00 N ATOM 251 CA VAL A 17 -6.334 9.198 -23.023 1.00 25.00 C ATOM 252 C VAL A 17 -5.899 10.658 -22.850 1.00 25.00 C ATOM 253 O VAL A 17 -5.838 11.434 -23.801 1.00 25.00 O ATOM 254 CB VAL A 17 -7.892 9.056 -23.101 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.612 9.705 -21.903 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.413 9.662 -24.385 1.00 25.00 C ATOM 0 H VAL A 17 -6.492 8.023 -21.286 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.928 8.848 -23.972 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.106 7.988 -23.075 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.689 9.575 -22.012 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.281 9.231 -20.979 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.376 10.769 -21.870 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.497 9.555 -24.424 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -8.151 10.719 -24.421 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.967 9.149 -25.237 1.00 25.00 H new ATOM 266 N GLN A 18 -5.580 11.038 -21.629 1.00 25.00 N ATOM 267 CA GLN A 18 -5.177 12.404 -21.335 1.00 25.00 C ATOM 268 C GLN A 18 -3.837 12.724 -22.014 1.00 25.00 C ATOM 269 O GLN A 18 -3.688 13.733 -22.710 1.00 25.00 O ATOM 270 CB GLN A 18 -5.059 12.552 -19.824 1.00 25.00 C ATOM 271 CG GLN A 18 -5.014 13.961 -19.316 1.00 25.00 C ATOM 272 CD GLN A 18 -4.967 14.008 -17.798 1.00 25.00 C ATOM 273 OE1 GLN A 18 -3.959 13.667 -17.189 1.00 25.00 O ATOM 274 NE2 GLN A 18 -6.044 14.408 -17.178 1.00 25.00 N ATOM 0 H GLN A 18 -5.591 10.419 -20.819 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.920 13.103 -21.719 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.904 12.043 -19.359 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.157 12.037 -19.495 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.139 14.467 -19.723 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.890 14.504 -19.670 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.867 14.685 -17.713 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -6.062 14.443 -16.159 1.00 25.00 H new ATOM 283 N PHE A 19 -2.864 11.834 -21.825 1.00 25.00 N ATOM 284 CA PHE A 19 -1.530 12.051 -22.364 1.00 25.00 C ATOM 285 C PHE A 19 -1.466 11.710 -23.834 1.00 25.00 C ATOM 286 O PHE A 19 -0.633 12.264 -24.531 1.00 25.00 O ATOM 287 CB PHE A 19 -0.485 11.211 -21.618 1.00 25.00 C ATOM 288 CG PHE A 19 -0.236 11.663 -20.199 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.872 12.798 -19.628 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.680 10.965 -19.421 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.572 13.212 -18.316 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.993 11.359 -18.102 1.00 25.00 C ATOM 293 CZ PHE A 19 0.357 12.492 -17.550 1.00 25.00 C ATOM 0 H PHE A 19 -2.977 10.963 -21.306 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.308 13.110 -22.230 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.811 10.171 -21.606 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.455 11.244 -22.170 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.596 13.351 -20.208 1.00 25.00 H new ATOM 0 HD2 PHE A 19 1.167 10.096 -19.838 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.057 14.083 -17.900 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.711 10.800 -17.521 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.585 12.803 -16.541 1.00 25.00 H new ATOM 303 N GLN A 20 -2.377 10.869 -24.304 1.00 25.00 N ATOM 304 CA GLN A 20 -2.442 10.526 -25.731 1.00 25.00 C ATOM 305 C GLN A 20 -2.704 11.755 -26.599 1.00 25.00 C ATOM 306 O GLN A 20 -2.203 11.866 -27.727 1.00 25.00 O ATOM 307 CB GLN A 20 -3.555 9.502 -25.993 1.00 25.00 C ATOM 308 CG GLN A 20 -3.447 8.819 -27.373 1.00 25.00 C ATOM 309 CD GLN A 20 -4.544 7.786 -27.606 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.684 6.819 -26.876 1.00 25.00 O ATOM 311 NE2 GLN A 20 -5.347 7.998 -28.623 1.00 25.00 N ATOM 0 H GLN A 20 -3.081 10.410 -23.727 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.472 10.104 -25.995 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.527 8.739 -25.215 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.522 10.000 -25.917 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.496 9.578 -28.154 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.474 8.335 -27.459 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -5.210 8.814 -29.220 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -6.108 7.347 -28.816 1.00 25.00 H new ATOM 320 N GLN A 21 -3.521 12.671 -26.113 1.00 25.00 N ATOM 321 CA GLN A 21 -3.882 13.853 -26.900 1.00 25.00 C ATOM 322 C GLN A 21 -2.691 14.811 -27.013 1.00 25.00 C ATOM 323 O GLN A 21 -2.443 15.342 -28.086 1.00 25.00 O ATOM 324 CB GLN A 21 -5.084 14.549 -26.259 1.00 25.00 C ATOM 325 CG GLN A 21 -6.372 13.705 -26.316 1.00 25.00 C ATOM 326 CD GLN A 21 -7.476 14.269 -25.476 1.00 25.00 C ATOM 327 OE1 GLN A 21 -8.114 15.248 -25.845 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.717 13.656 -24.348 1.00 25.00 N ATOM 0 H GLN A 21 -3.948 12.628 -25.187 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.154 13.541 -27.908 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.852 14.777 -25.219 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.257 15.500 -26.763 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.709 13.635 -27.350 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.151 12.691 -25.983 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -7.161 12.844 -24.080 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -8.461 13.989 -23.735 1.00 25.00 H new ATOM 337 N TYR A 22 -1.917 14.913 -25.938 1.00 25.00 N ATOM 338 CA TYR A 22 -0.666 15.670 -25.935 1.00 25.00 C ATOM 339 C TYR A 22 0.389 14.965 -26.792 1.00 25.00 C ATOM 340 O TYR A 22 1.156 15.622 -27.498 1.00 25.00 O ATOM 341 CB TYR A 22 -0.128 15.815 -24.515 1.00 25.00 C ATOM 342 CG TYR A 22 1.235 16.447 -24.446 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.372 17.855 -24.463 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.401 15.650 -24.350 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.633 18.465 -24.400 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.673 16.273 -24.267 1.00 25.00 C ATOM 347 CZ TYR A 22 3.781 17.664 -24.295 1.00 25.00 C ATOM 348 OH TYR A 22 5.002 18.259 -24.213 1.00 25.00 O ATOM 0 H TYR A 22 -2.137 14.474 -25.044 1.00 25.00 H new ATOM 0 HA TYR A 22 -0.874 16.657 -26.348 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.826 16.414 -23.931 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.086 14.830 -24.050 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.488 18.472 -24.526 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.323 14.573 -24.340 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.720 19.541 -24.432 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.563 15.667 -24.182 1.00 25.00 H new ATOM 0 HH TYR A 22 5.697 17.571 -24.144 1.00 25.00 H new ATOM 358 N ALA A 23 0.400 13.623 -26.764 1.00 25.00 N ATOM 359 CA ALA A 23 1.378 12.885 -27.546 1.00 25.00 C ATOM 360 C ALA A 23 1.104 13.090 -29.034 1.00 25.00 C ATOM 361 O ALA A 23 2.032 13.202 -29.848 1.00 25.00 O ATOM 362 CB ALA A 23 1.330 11.414 -27.193 1.00 25.00 C ATOM 0 H ALA A 23 -0.243 13.048 -26.220 1.00 25.00 H new ATOM 0 HA ALA A 23 2.376 13.258 -27.316 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.068 10.873 -27.786 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.552 11.287 -26.134 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.336 11.021 -27.405 1.00 25.00 H new ATOM 368 N ALA A 24 -0.167 13.163 -29.410 1.00 25.00 N ATOM 369 CA ALA A 24 -0.541 13.402 -30.794 1.00 25.00 C ATOM 370 C ALA A 24 -0.237 14.829 -31.206 1.00 25.00 C ATOM 371 O ALA A 24 -0.082 15.093 -32.378 1.00 25.00 O ATOM 372 CB ALA A 24 -2.044 13.098 -31.000 1.00 25.00 C ATOM 0 H ALA A 24 -0.956 13.059 -28.772 1.00 25.00 H new ATOM 0 HA ALA A 24 0.049 12.735 -31.423 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.313 13.281 -32.040 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.242 12.055 -30.752 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.638 13.744 -30.353 1.00 25.00 H new ATOM 378 N GLN A 25 -0.099 15.723 -30.245 1.00 25.00 N ATOM 379 CA GLN A 25 0.234 17.123 -30.538 1.00 25.00 C ATOM 380 C GLN A 25 1.723 17.305 -30.826 1.00 25.00 C ATOM 381 O GLN A 25 2.127 18.259 -31.482 1.00 25.00 O ATOM 382 CB GLN A 25 -0.161 17.960 -29.314 1.00 25.00 C ATOM 383 CG GLN A 25 -0.624 19.373 -29.617 1.00 25.00 C ATOM 384 CD GLN A 25 -1.099 20.106 -28.362 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.792 19.712 -27.238 1.00 25.00 O ATOM 386 NE2 GLN A 25 -1.848 21.169 -28.547 1.00 25.00 N ATOM 0 H GLN A 25 -0.210 15.515 -29.253 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.307 17.441 -31.429 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -0.957 17.441 -28.781 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.693 18.012 -28.639 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.193 19.931 -30.074 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.434 19.340 -30.345 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -2.084 21.468 -29.493 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -2.194 21.695 -27.745 1.00 25.00 H new ATOM 395 N GLN A 26 2.515 16.359 -30.331 1.00 25.00 N ATOM 396 CA GLN A 26 3.970 16.353 -30.494 1.00 25.00 C ATOM 397 C GLN A 26 4.441 15.477 -31.642 1.00 25.00 C ATOM 398 O GLN A 26 5.251 15.917 -32.457 1.00 25.00 O ATOM 399 CB GLN A 26 4.618 15.845 -29.209 1.00 25.00 C ATOM 400 CG GLN A 26 4.448 16.792 -28.045 1.00 25.00 C ATOM 401 CD GLN A 26 5.784 17.219 -27.444 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.625 16.408 -27.079 1.00 25.00 O ATOM 403 NE2 GLN A 26 5.983 18.503 -27.362 1.00 25.00 N ATOM 0 H GLN A 26 2.163 15.564 -29.798 1.00 25.00 H new ATOM 0 HA GLN A 26 4.263 17.379 -30.718 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.186 14.878 -28.949 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.681 15.682 -29.385 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.902 17.676 -28.376 1.00 25.00 H new ATOM 0 HG3 GLN A 26 3.843 16.313 -27.275 1.00 25.00 H new ATOM 0 HE21 GLN A 26 5.261 19.152 -27.675 1.00 25.00 H new ATOM 0 HE22 GLN A 26 6.861 18.860 -26.985 1.00 25.00 H new ATOM 412 N TYR A 27 3.869 14.281 -31.723 1.00 25.00 N ATOM 413 CA TYR A 27 4.177 13.316 -32.760 1.00 25.00 C ATOM 414 C TYR A 27 2.931 12.865 -33.495 1.00 25.00 C ATOM 415 O TYR A 27 2.477 11.713 -33.332 1.00 25.00 O ATOM 416 CB TYR A 27 4.867 12.102 -32.128 1.00 25.00 C ATOM 417 CG TYR A 27 6.143 12.444 -31.396 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.163 13.191 -32.036 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.382 12.008 -30.081 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.365 13.496 -31.386 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.605 12.320 -29.432 1.00 25.00 C ATOM 422 CZ TYR A 27 8.604 13.055 -30.093 1.00 25.00 C ATOM 423 OH TYR A 27 9.803 13.309 -29.462 1.00 25.00 O ATOM 0 H TYR A 27 3.168 13.954 -31.058 1.00 25.00 H new ATOM 0 HA TYR A 27 4.836 13.794 -33.485 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.177 11.623 -31.433 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.090 11.374 -32.908 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.010 13.533 -33.049 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.630 11.432 -29.562 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.115 14.081 -31.897 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.770 11.988 -28.417 1.00 25.00 H new ATOM 0 HH TYR A 27 9.787 12.924 -28.561 1.00 25.00 H new ATOM 433 N PRO A 28 2.351 13.744 -34.311 1.00 25.00 N ATOM 434 CA PRO A 28 1.150 13.256 -35.005 1.00 25.00 C ATOM 435 C PRO A 28 1.505 12.232 -36.079 1.00 25.00 C ATOM 436 O PRO A 28 2.481 12.362 -36.754 1.00 25.00 O ATOM 437 CB PRO A 28 0.550 14.527 -35.605 1.00 25.00 C ATOM 438 CG PRO A 28 1.725 15.387 -35.875 1.00 25.00 C ATOM 439 CD PRO A 28 2.663 15.141 -34.708 1.00 25.00 C ATOM 0 HA PRO A 28 0.456 12.736 -34.345 1.00 25.00 H new ATOM 0 HB2 PRO A 28 -0.006 14.313 -36.518 1.00 25.00 H new ATOM 0 HB3 PRO A 28 -0.144 15.005 -34.914 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.196 15.126 -36.823 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.440 16.437 -35.939 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.707 15.253 -35.000 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.483 15.841 -33.892 1.00 25.00 H new ATOM 447 N GLY A 29 0.699 11.193 -36.175 1.00 25.00 N ATOM 448 CA GLY A 29 0.971 10.145 -37.164 1.00 25.00 C ATOM 449 C GLY A 29 2.009 9.112 -36.758 1.00 25.00 C ATOM 450 O GLY A 29 2.255 8.169 -37.509 1.00 25.00 O ATOM 0 H GLY A 29 -0.131 11.044 -35.601 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.037 9.628 -37.385 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.299 10.620 -38.089 1.00 25.00 H new ATOM 454 N ASN A 30 2.574 9.233 -35.564 1.00 25.00 N ATOM 455 CA ASN A 30 3.621 8.313 -35.095 1.00 25.00 C ATOM 456 C ASN A 30 3.216 7.609 -33.804 1.00 25.00 C ATOM 457 O ASN A 30 3.571 8.039 -32.709 1.00 25.00 O ATOM 458 CB ASN A 30 4.917 9.084 -34.866 1.00 25.00 C ATOM 459 CG ASN A 30 5.560 9.513 -36.145 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.603 10.689 -36.453 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.091 8.568 -36.867 1.00 25.00 N ATOM 0 H ASN A 30 2.328 9.961 -34.894 1.00 25.00 H new ATOM 0 HA ASN A 30 3.766 7.554 -35.863 1.00 25.00 H new ATOM 0 HB2 ASN A 30 4.711 9.962 -34.254 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.613 8.461 -34.304 1.00 25.00 H new ATOM 0 HD21 ASN A 30 6.571 8.799 -37.737 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.027 7.597 -36.563 1.00 25.00 H new ATOM 468 N TYR A 31 2.519 6.492 -33.942 1.00 25.00 N ATOM 469 CA TYR A 31 2.111 5.689 -32.778 1.00 25.00 C ATOM 470 C TYR A 31 3.285 5.304 -31.881 1.00 25.00 C ATOM 471 O TYR A 31 3.181 5.443 -30.670 1.00 25.00 O ATOM 472 CB TYR A 31 1.409 4.408 -33.242 1.00 25.00 C ATOM 473 CG TYR A 31 1.223 3.379 -32.135 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.290 3.596 -31.088 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.999 2.213 -32.100 1.00 25.00 C ATOM 476 CE1 TYR A 31 0.126 2.631 -30.061 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.846 1.264 -31.063 1.00 25.00 C ATOM 478 CZ TYR A 31 0.908 1.470 -30.051 1.00 25.00 C ATOM 479 OH TYR A 31 0.786 0.524 -29.083 1.00 25.00 O ATOM 0 H TYR A 31 2.220 6.114 -34.841 1.00 25.00 H new ATOM 0 HA TYR A 31 1.434 6.313 -32.195 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.433 4.667 -33.653 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.987 3.959 -34.050 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.299 4.501 -31.073 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.726 2.036 -32.878 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.606 2.793 -29.283 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.459 0.375 -31.054 1.00 25.00 H new ATOM 0 HH TYR A 31 1.418 -0.205 -29.257 1.00 25.00 H new ATOM 489 N GLU A 32 4.388 4.853 -32.457 1.00 25.00 N ATOM 490 CA GLU A 32 5.540 4.460 -31.671 1.00 25.00 C ATOM 491 C GLU A 32 6.093 5.639 -30.853 1.00 25.00 C ATOM 492 O GLU A 32 6.340 5.487 -29.669 1.00 25.00 O ATOM 493 CB GLU A 32 6.617 3.894 -32.595 1.00 25.00 C ATOM 494 CG GLU A 32 6.987 4.769 -33.787 1.00 25.00 C ATOM 495 CD GLU A 32 8.107 4.156 -34.587 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.005 2.975 -34.977 1.00 25.00 O ATOM 497 OE2 GLU A 32 9.092 4.868 -34.828 1.00 25.00 O ATOM 0 H GLU A 32 4.507 4.751 -33.465 1.00 25.00 H new ATOM 0 HA GLU A 32 5.230 3.692 -30.963 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.517 3.713 -32.007 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.279 2.927 -32.968 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.114 4.907 -34.425 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.285 5.757 -33.437 1.00 25.00 H new ATOM 504 N GLN A 33 6.280 6.800 -31.474 1.00 25.00 N ATOM 505 CA GLN A 33 6.840 7.964 -30.779 1.00 25.00 C ATOM 506 C GLN A 33 5.891 8.473 -29.716 1.00 25.00 C ATOM 507 O GLN A 33 6.296 8.903 -28.640 1.00 25.00 O ATOM 508 CB GLN A 33 7.146 9.078 -31.775 1.00 25.00 C ATOM 509 CG GLN A 33 8.240 8.715 -32.771 1.00 25.00 C ATOM 510 CD GLN A 33 9.621 8.514 -32.155 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.002 9.201 -31.212 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.373 7.575 -32.696 1.00 25.00 N ATOM 0 H GLN A 33 6.054 6.964 -32.455 1.00 25.00 H new ATOM 0 HA GLN A 33 7.765 7.652 -30.294 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.236 9.327 -32.321 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.445 9.972 -31.228 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.952 7.801 -33.289 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.303 9.501 -33.523 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.019 7.026 -33.479 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.309 7.398 -32.331 1.00 25.00 H new ATOM 521 N GLN A 34 4.600 8.367 -30.003 1.00 25.00 N ATOM 522 CA GLN A 34 3.581 8.765 -29.023 1.00 25.00 C ATOM 523 C GLN A 34 3.727 7.911 -27.792 1.00 25.00 C ATOM 524 O GLN A 34 3.571 8.389 -26.681 1.00 25.00 O ATOM 525 CB GLN A 34 2.175 8.621 -29.603 1.00 25.00 C ATOM 526 CG GLN A 34 1.816 9.688 -30.597 1.00 25.00 C ATOM 527 CD GLN A 34 0.446 9.469 -31.223 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.403 8.795 -30.670 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.243 10.036 -32.385 1.00 25.00 N ATOM 0 H GLN A 34 4.232 8.016 -30.887 1.00 25.00 H new ATOM 0 HA GLN A 34 3.727 9.814 -28.765 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.089 7.646 -30.083 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.452 8.640 -28.787 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.835 10.660 -30.104 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.570 9.715 -31.383 1.00 25.00 H new ATOM 0 HE21 GLN A 34 0.980 10.594 -32.816 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.652 9.920 -32.859 1.00 25.00 H new ATOM 538 N GLN A 35 4.074 6.650 -27.963 1.00 25.00 N ATOM 539 CA GLN A 35 4.163 5.739 -26.802 1.00 25.00 C ATOM 540 C GLN A 35 5.418 6.006 -25.992 1.00 25.00 C ATOM 541 O GLN A 35 5.402 5.913 -24.747 1.00 25.00 O ATOM 542 CB GLN A 35 4.185 4.275 -27.292 1.00 25.00 C ATOM 543 CG GLN A 35 2.848 3.770 -27.836 1.00 25.00 C ATOM 544 CD GLN A 35 1.777 3.758 -26.767 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.924 3.145 -25.718 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.705 4.466 -27.016 1.00 25.00 N ATOM 0 H GLN A 35 4.297 6.226 -28.864 1.00 25.00 H new ATOM 0 HA GLN A 35 3.293 5.913 -26.169 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.941 4.177 -28.071 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.493 3.633 -26.467 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.529 4.404 -28.663 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.974 2.764 -28.236 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.617 4.964 -27.902 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.043 4.520 -26.324 1.00 25.00 H new ATOM 555 N ILE A 36 6.497 6.367 -26.675 1.00 25.00 N ATOM 556 CA ILE A 36 7.765 6.670 -26.010 1.00 25.00 C ATOM 557 C ILE A 36 7.539 7.850 -25.080 1.00 25.00 C ATOM 558 O ILE A 36 7.925 7.806 -23.903 1.00 25.00 O ATOM 559 CB ILE A 36 8.864 6.986 -27.074 1.00 25.00 C ATOM 560 CG1 ILE A 36 9.147 5.714 -27.907 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.167 7.483 -26.425 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.935 5.967 -29.202 1.00 25.00 C ATOM 0 H ILE A 36 6.523 6.458 -27.691 1.00 25.00 H new ATOM 0 HA ILE A 36 8.110 5.814 -25.430 1.00 25.00 H new ATOM 0 HB ILE A 36 8.492 7.784 -27.716 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.702 5.006 -27.291 1.00 25.00 H new ATOM 0 HG13 ILE A 36 8.198 5.241 -28.160 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.904 7.691 -27.201 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.968 8.394 -25.860 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.554 6.717 -25.753 1.00 25.00 H new ATOM 0 HD11 ILE A 36 10.090 5.023 -29.724 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.374 6.648 -29.842 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.901 6.410 -28.959 1.00 25.00 H new ATOM 574 N LEU A 37 6.878 8.882 -25.605 1.00 25.00 N ATOM 575 CA LEU A 37 6.633 10.120 -24.866 1.00 25.00 C ATOM 576 C LEU A 37 5.712 9.878 -23.661 1.00 25.00 C ATOM 577 O LEU A 37 6.043 10.283 -22.558 1.00 25.00 O ATOM 578 CB LEU A 37 6.003 11.142 -25.804 1.00 25.00 C ATOM 579 CG LEU A 37 5.660 12.528 -25.216 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.866 13.162 -24.458 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.183 13.411 -26.394 1.00 25.00 C ATOM 0 H LEU A 37 6.498 8.883 -26.552 1.00 25.00 H new ATOM 0 HA LEU A 37 7.584 10.495 -24.488 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.681 11.291 -26.645 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.086 10.710 -26.206 1.00 25.00 H new ATOM 0 HG LEU A 37 4.874 12.437 -24.466 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.576 14.136 -24.063 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.163 12.510 -23.636 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.704 13.284 -25.145 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.929 14.404 -26.024 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.979 13.492 -27.134 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.305 12.959 -26.855 1.00 25.00 H new ATOM 593 N ILE A 38 4.595 9.171 -23.872 1.00 25.00 N ATOM 594 CA ILE A 38 3.638 8.897 -22.788 1.00 25.00 C ATOM 595 C ILE A 38 4.299 8.144 -21.622 1.00 25.00 C ATOM 596 O ILE A 38 4.046 8.441 -20.452 1.00 25.00 O ATOM 597 CB ILE A 38 2.427 8.061 -23.309 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.597 8.908 -24.267 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.508 7.594 -22.137 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.709 8.094 -25.202 1.00 25.00 C ATOM 0 H ILE A 38 4.331 8.780 -24.776 1.00 25.00 H new ATOM 0 HA ILE A 38 3.287 9.864 -22.429 1.00 25.00 H new ATOM 0 HB ILE A 38 2.824 7.181 -23.816 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.971 9.587 -23.687 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.268 9.525 -24.865 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.675 7.015 -22.536 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.083 6.975 -21.448 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.123 8.465 -21.607 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.151 8.768 -25.852 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.329 7.434 -25.810 1.00 25.00 H new ATOM 0 HD13 ILE A 38 0.012 7.497 -24.614 1.00 25.00 H new ATOM 612 N ARG A 39 5.159 7.181 -21.928 1.00 25.00 N ATOM 613 CA ARG A 39 5.861 6.426 -20.872 1.00 25.00 C ATOM 614 C ARG A 39 6.678 7.362 -20.005 1.00 25.00 C ATOM 615 O ARG A 39 6.595 7.286 -18.789 1.00 25.00 O ATOM 616 CB ARG A 39 6.768 5.350 -21.487 1.00 25.00 C ATOM 617 CG ARG A 39 5.991 4.173 -22.071 1.00 25.00 C ATOM 618 CD ARG A 39 6.869 3.234 -22.900 1.00 25.00 C ATOM 619 NE ARG A 39 7.856 2.557 -22.041 1.00 25.00 N ATOM 620 CZ ARG A 39 8.638 1.567 -22.430 1.00 25.00 C ATOM 621 NH1 ARG A 39 8.629 1.147 -23.661 1.00 25.00 N ATOM 622 NH2 ARG A 39 9.454 0.988 -21.583 1.00 25.00 N ATOM 0 H ARG A 39 5.392 6.900 -22.880 1.00 25.00 H new ATOM 0 HA ARG A 39 5.112 5.935 -20.250 1.00 25.00 H new ATOM 0 HB2 ARG A 39 7.376 5.801 -22.271 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.454 4.982 -20.724 1.00 25.00 H new ATOM 0 HG2 ARG A 39 5.530 3.610 -21.260 1.00 25.00 H new ATOM 0 HG3 ARG A 39 5.182 4.552 -22.696 1.00 25.00 H new ATOM 0 HD2 ARG A 39 6.246 2.493 -23.402 1.00 25.00 H new ATOM 0 HD3 ARG A 39 7.382 3.799 -23.678 1.00 25.00 H new ATOM 0 HE ARG A 39 7.941 2.876 -21.076 1.00 25.00 H new ATOM 0 HH11 ARG A 39 8.011 1.584 -24.344 1.00 25.00 H new ATOM 0 HH12 ARG A 39 9.240 0.381 -23.943 1.00 25.00 H new ATOM 0 HH21 ARG A 39 9.489 1.302 -20.613 1.00 25.00 H new ATOM 0 HH22 ARG A 39 10.054 0.224 -21.894 1.00 25.00 H new ATOM 636 N GLN A 40 7.401 8.283 -20.628 1.00 25.00 N ATOM 637 CA GLN A 40 8.197 9.243 -19.889 1.00 25.00 C ATOM 638 C GLN A 40 7.323 10.139 -19.005 1.00 25.00 C ATOM 639 O GLN A 40 7.665 10.393 -17.860 1.00 25.00 O ATOM 640 CB GLN A 40 9.025 10.114 -20.854 1.00 25.00 C ATOM 641 CG GLN A 40 9.923 11.150 -20.164 1.00 25.00 C ATOM 642 CD GLN A 40 11.013 10.524 -19.279 1.00 25.00 C ATOM 643 OE1 GLN A 40 12.080 10.180 -19.743 1.00 25.00 O ATOM 644 NE2 GLN A 40 10.705 10.380 -18.019 1.00 25.00 N ATOM 0 H GLN A 40 7.450 8.382 -21.642 1.00 25.00 H new ATOM 0 HA GLN A 40 8.870 8.679 -19.243 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.648 9.463 -21.468 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.345 10.633 -21.529 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.396 11.773 -20.924 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.304 11.807 -19.554 1.00 25.00 H new ATOM 0 HE21 GLN A 40 9.793 10.686 -17.679 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.376 9.961 -17.375 1.00 25.00 H new ATOM 653 N LEU A 41 6.203 10.613 -19.530 1.00 25.00 N ATOM 654 CA LEU A 41 5.348 11.531 -18.766 1.00 25.00 C ATOM 655 C LEU A 41 4.820 10.812 -17.526 1.00 25.00 C ATOM 656 O LEU A 41 4.774 11.375 -16.436 1.00 25.00 O ATOM 657 CB LEU A 41 4.139 12.003 -19.574 1.00 25.00 C ATOM 658 CG LEU A 41 4.344 12.770 -20.885 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.985 13.425 -21.281 1.00 25.00 C ATOM 660 CD2 LEU A 41 5.410 13.870 -20.794 1.00 25.00 C ATOM 0 H LEU A 41 5.863 10.387 -20.465 1.00 25.00 H new ATOM 0 HA LEU A 41 5.958 12.396 -18.506 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.540 11.122 -19.804 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.539 12.635 -18.919 1.00 25.00 H new ATOM 0 HG LEU A 41 4.693 12.054 -21.629 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.105 13.978 -22.213 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.232 12.648 -21.414 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.667 14.107 -20.493 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.500 14.370 -21.758 1.00 25.00 H new ATOM 0 HD22 LEU A 41 5.120 14.596 -20.035 1.00 25.00 H new ATOM 0 HD23 LEU A 41 6.368 13.426 -20.524 1.00 25.00 H new ATOM 672 N GLN A 42 4.418 9.558 -17.687 1.00 25.00 N ATOM 673 CA GLN A 42 3.831 8.799 -16.598 1.00 25.00 C ATOM 674 C GLN A 42 4.840 8.526 -15.476 1.00 25.00 C ATOM 675 O GLN A 42 4.505 8.623 -14.298 1.00 25.00 O ATOM 676 CB GLN A 42 3.253 7.477 -17.133 1.00 25.00 C ATOM 677 CG GLN A 42 1.981 7.693 -17.955 1.00 25.00 C ATOM 678 CD GLN A 42 1.472 6.445 -18.653 1.00 25.00 C ATOM 679 OE1 GLN A 42 0.283 6.315 -18.920 1.00 25.00 O ATOM 680 NE2 GLN A 42 2.368 5.552 -19.005 1.00 25.00 N ATOM 0 H GLN A 42 4.490 9.046 -18.566 1.00 25.00 H new ATOM 0 HA GLN A 42 3.029 9.400 -16.170 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.001 6.978 -17.749 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.035 6.813 -16.297 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.198 8.074 -17.299 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.172 8.462 -18.703 1.00 25.00 H new ATOM 0 HE21 GLN A 42 3.350 5.693 -18.766 1.00 25.00 H new ATOM 0 HE22 GLN A 42 2.082 4.718 -19.518 1.00 25.00 H new ATOM 689 N GLU A 43 6.083 8.229 -15.824 1.00 25.00 N ATOM 690 CA GLU A 43 7.113 8.005 -14.804 1.00 25.00 C ATOM 691 C GLU A 43 7.440 9.323 -14.080 1.00 25.00 C ATOM 692 O GLU A 43 7.728 9.350 -12.886 1.00 25.00 O ATOM 693 CB GLU A 43 8.403 7.409 -15.425 1.00 25.00 C ATOM 694 CG GLU A 43 8.229 5.959 -15.899 1.00 25.00 C ATOM 695 CD GLU A 43 9.544 5.268 -16.315 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.652 5.836 -16.163 1.00 25.00 O ATOM 697 OE2 GLU A 43 9.430 4.124 -16.839 1.00 25.00 O ATOM 0 H GLU A 43 6.406 8.137 -16.787 1.00 25.00 H new ATOM 0 HA GLU A 43 6.720 7.287 -14.085 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.712 8.026 -16.269 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.206 7.451 -14.689 1.00 25.00 H new ATOM 0 HG2 GLU A 43 7.765 5.381 -15.100 1.00 25.00 H new ATOM 0 HG3 GLU A 43 7.541 5.945 -16.744 1.00 25.00 H new ATOM 704 N GLN A 44 7.354 10.426 -14.807 1.00 25.00 N ATOM 705 CA GLN A 44 7.655 11.730 -14.224 1.00 25.00 C ATOM 706 C GLN A 44 6.580 12.134 -13.231 1.00 25.00 C ATOM 707 O GLN A 44 6.890 12.630 -12.157 1.00 25.00 O ATOM 708 CB GLN A 44 7.778 12.765 -15.347 1.00 25.00 C ATOM 709 CG GLN A 44 8.231 14.110 -14.848 1.00 25.00 C ATOM 710 CD GLN A 44 8.497 15.062 -15.983 1.00 25.00 C ATOM 711 OE1 GLN A 44 9.498 14.960 -16.665 1.00 25.00 O ATOM 712 NE2 GLN A 44 7.618 16.023 -16.176 1.00 25.00 N ATOM 0 H GLN A 44 7.082 10.449 -15.790 1.00 25.00 H new ATOM 0 HA GLN A 44 8.599 11.675 -13.682 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.484 12.402 -16.094 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.814 12.872 -15.844 1.00 25.00 H new ATOM 0 HG2 GLN A 44 7.469 14.530 -14.191 1.00 25.00 H new ATOM 0 HG3 GLN A 44 9.136 13.992 -14.252 1.00 25.00 H new ATOM 0 HE21 GLN A 44 6.788 16.081 -15.586 1.00 25.00 H new ATOM 0 HE22 GLN A 44 7.767 16.710 -16.915 1.00 25.00 H new ATOM 721 N HIS A 45 5.312 11.877 -13.553 1.00 25.00 N ATOM 722 CA HIS A 45 4.191 12.187 -12.641 1.00 25.00 C ATOM 723 C HIS A 45 4.184 11.267 -11.421 1.00 25.00 C ATOM 724 O HIS A 45 3.623 11.613 -10.376 1.00 25.00 O ATOM 725 CB HIS A 45 2.854 12.113 -13.363 1.00 25.00 C ATOM 726 CG HIS A 45 2.559 13.299 -14.222 1.00 25.00 C ATOM 727 ND1 HIS A 45 1.556 14.201 -13.947 1.00 25.00 N ATOM 728 CD2 HIS A 45 3.150 13.763 -15.357 1.00 25.00 C ATOM 729 CE1 HIS A 45 1.562 15.139 -14.889 1.00 25.00 C ATOM 730 NE2 HIS A 45 2.524 14.918 -15.772 1.00 25.00 N ATOM 0 H HIS A 45 5.027 11.455 -14.437 1.00 25.00 H new ATOM 0 HA HIS A 45 4.339 13.209 -12.293 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.837 11.216 -13.982 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.060 12.006 -12.624 1.00 25.00 H new ATOM 0 HD2 HIS A 45 3.985 13.296 -15.858 1.00 25.00 H new ATOM 0 HE1 HIS A 45 0.874 15.971 -14.929 1.00 25.00 H new ATOM 0 HE2 HIS A 45 2.753 15.484 -16.589 1.00 25.00 H new ATOM 738 N TYR A 46 4.852 10.141 -11.520 1.00 25.00 N ATOM 739 CA TYR A 46 4.957 9.228 -10.392 1.00 25.00 C ATOM 740 C TYR A 46 5.591 9.900 -9.194 1.00 25.00 C ATOM 741 O TYR A 46 5.174 9.659 -8.071 1.00 25.00 O ATOM 742 CB TYR A 46 5.780 8.003 -10.768 1.00 25.00 C ATOM 743 CG TYR A 46 5.745 6.922 -9.719 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.599 6.107 -9.587 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.837 6.668 -8.871 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.538 5.069 -8.647 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.774 5.625 -7.915 1.00 25.00 C ATOM 748 CZ TYR A 46 5.614 4.843 -7.821 1.00 25.00 C ATOM 749 OH TYR A 46 5.541 3.794 -6.932 1.00 25.00 O ATOM 0 H TYR A 46 5.332 9.831 -12.365 1.00 25.00 H new ATOM 0 HA TYR A 46 3.944 8.923 -10.129 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.409 7.599 -11.710 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.814 8.305 -10.936 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.748 6.288 -10.227 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.729 7.272 -8.949 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.654 4.453 -8.572 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.613 5.433 -7.263 1.00 25.00 H new ATOM 0 HH TYR A 46 6.370 3.748 -6.411 1.00 25.00 H new ATOM 759 N GLN A 47 6.558 10.772 -9.426 1.00 25.00 N ATOM 760 CA GLN A 47 7.216 11.474 -8.340 1.00 25.00 C ATOM 761 C GLN A 47 6.257 12.385 -7.587 1.00 25.00 C ATOM 762 O GLN A 47 6.329 12.496 -6.368 1.00 25.00 O ATOM 763 CB GLN A 47 8.360 12.332 -8.852 1.00 25.00 C ATOM 764 CG GLN A 47 9.486 11.539 -9.490 1.00 25.00 C ATOM 765 CD GLN A 47 10.141 10.586 -8.516 1.00 25.00 C ATOM 766 OE1 GLN A 47 9.709 9.457 -8.383 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.162 11.031 -7.813 1.00 25.00 N ATOM 0 H GLN A 47 6.904 11.010 -10.356 1.00 25.00 H new ATOM 0 HA GLN A 47 7.591 10.702 -7.669 1.00 25.00 H new ATOM 0 HB2 GLN A 47 7.970 13.042 -9.581 1.00 25.00 H new ATOM 0 HB3 GLN A 47 8.763 12.915 -8.024 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.096 10.977 -10.338 1.00 25.00 H new ATOM 0 HG3 GLN A 47 10.235 12.227 -9.881 1.00 25.00 H new ATOM 0 HE21 GLN A 47 11.499 11.984 -7.950 1.00 25.00 H new ATOM 0 HE22 GLN A 47 11.616 10.423 -7.132 1.00 25.00 H new ATOM 776 N GLN A 48 5.363 13.043 -8.311 1.00 25.00 N ATOM 777 CA GLN A 48 4.416 13.958 -7.685 1.00 25.00 C ATOM 778 C GLN A 48 3.488 13.172 -6.787 1.00 25.00 C ATOM 779 O GLN A 48 3.194 13.568 -5.653 1.00 25.00 O ATOM 780 CB GLN A 48 3.628 14.693 -8.783 1.00 25.00 C ATOM 781 CG GLN A 48 2.806 15.855 -8.260 1.00 25.00 C ATOM 782 CD GLN A 48 2.076 16.564 -9.376 1.00 25.00 C ATOM 783 OE1 GLN A 48 1.154 16.014 -9.969 1.00 25.00 O ATOM 784 NE2 GLN A 48 2.463 17.783 -9.673 1.00 25.00 N ATOM 0 H GLN A 48 5.272 12.963 -9.324 1.00 25.00 H new ATOM 0 HA GLN A 48 4.942 14.697 -7.080 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.325 15.061 -9.536 1.00 25.00 H new ATOM 0 HB3 GLN A 48 2.966 13.984 -9.281 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.086 15.492 -7.526 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.458 16.560 -7.745 1.00 25.00 H new ATOM 0 HE21 GLN A 48 3.233 18.213 -9.161 1.00 25.00 H new ATOM 0 HE22 GLN A 48 1.993 18.300 -10.416 1.00 25.00 H new ATOM 793 N TYR A 49 3.065 12.015 -7.275 1.00 25.00 N ATOM 794 CA TYR A 49 2.185 11.135 -6.508 1.00 25.00 C ATOM 795 C TYR A 49 2.891 10.631 -5.253 1.00 25.00 C ATOM 796 O TYR A 49 2.332 10.616 -4.155 1.00 25.00 O ATOM 797 CB TYR A 49 1.710 9.953 -7.375 1.00 25.00 C ATOM 798 CG TYR A 49 0.539 9.207 -6.744 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.755 9.753 -6.779 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.725 7.966 -6.106 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.846 9.076 -6.175 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.371 7.284 -5.510 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.633 7.858 -5.538 1.00 25.00 C ATOM 804 OH TYR A 49 -2.687 7.212 -4.927 1.00 25.00 O ATOM 0 H TYR A 49 3.315 11.661 -8.198 1.00 25.00 H new ATOM 0 HA TYR A 49 1.310 11.708 -6.202 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.416 10.321 -8.358 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.539 9.261 -7.528 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.921 10.700 -7.272 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.711 7.527 -6.069 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.837 9.504 -6.210 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.221 6.324 -5.038 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.371 6.374 -4.530 1.00 25.00 H new ATOM 814 N MET A 50 4.145 10.252 -5.428 1.00 25.00 N ATOM 815 CA MET A 50 4.944 9.744 -4.314 1.00 25.00 C ATOM 816 C MET A 50 5.145 10.803 -3.240 1.00 25.00 C ATOM 817 O MET A 50 5.027 10.532 -2.050 1.00 25.00 O ATOM 818 CB MET A 50 6.288 9.249 -4.830 1.00 25.00 C ATOM 819 CG MET A 50 6.915 8.266 -3.893 1.00 25.00 C ATOM 820 SD MET A 50 6.754 6.490 -4.390 1.00 25.00 S ATOM 821 CE MET A 50 4.988 6.288 -4.670 1.00 25.00 C ATOM 0 H MET A 50 4.634 10.284 -6.323 1.00 25.00 H new ATOM 0 HA MET A 50 4.403 8.915 -3.858 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.154 8.785 -5.807 1.00 25.00 H new ATOM 0 HB3 MET A 50 6.959 10.097 -4.969 1.00 25.00 H new ATOM 0 HG2 MET A 50 7.974 8.505 -3.796 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.468 8.393 -2.907 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.793 5.288 -5.057 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.453 6.425 -3.730 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.647 7.029 -5.393 1.00 25.00 H new ATOM 831 N GLN A 51 5.385 12.035 -3.655 1.00 25.00 N ATOM 832 CA GLN A 51 5.501 13.150 -2.733 1.00 25.00 C ATOM 833 C GLN A 51 4.201 13.375 -1.963 1.00 25.00 C ATOM 834 O GLN A 51 4.238 13.614 -0.764 1.00 25.00 O ATOM 835 CB GLN A 51 5.896 14.406 -3.497 1.00 25.00 C ATOM 836 CG GLN A 51 6.231 15.595 -2.602 1.00 25.00 C ATOM 837 CD GLN A 51 6.786 16.758 -3.381 1.00 25.00 C ATOM 838 OE1 GLN A 51 7.259 16.603 -4.496 1.00 25.00 O ATOM 839 NE2 GLN A 51 6.734 17.928 -2.803 1.00 25.00 N ATOM 0 H GLN A 51 5.504 12.289 -4.636 1.00 25.00 H new ATOM 0 HA GLN A 51 6.275 12.915 -2.003 1.00 25.00 H new ATOM 0 HB2 GLN A 51 6.759 14.182 -4.124 1.00 25.00 H new ATOM 0 HB3 GLN A 51 5.081 14.685 -4.165 1.00 25.00 H new ATOM 0 HG2 GLN A 51 5.333 15.912 -2.071 1.00 25.00 H new ATOM 0 HG3 GLN A 51 6.955 15.287 -1.848 1.00 25.00 H new ATOM 0 HE21 GLN A 51 6.331 18.019 -1.870 1.00 25.00 H new ATOM 0 HE22 GLN A 51 7.096 18.751 -3.284 1.00 25.00 H new ATOM 848 N GLN A 52 3.059 13.283 -2.633 1.00 25.00 N ATOM 849 CA GLN A 52 1.777 13.477 -1.981 1.00 25.00 C ATOM 850 C GLN A 52 1.555 12.393 -0.935 1.00 25.00 C ATOM 851 O GLN A 52 1.101 12.677 0.173 1.00 25.00 O ATOM 852 CB GLN A 52 0.654 13.471 -3.016 1.00 25.00 C ATOM 853 CG GLN A 52 -0.699 13.911 -2.473 1.00 25.00 C ATOM 854 CD GLN A 52 -0.664 15.276 -1.841 1.00 25.00 C ATOM 855 OE1 GLN A 52 -0.189 16.230 -2.403 1.00 25.00 O ATOM 856 NE2 GLN A 52 -1.208 15.377 -0.637 1.00 25.00 N ATOM 0 H GLN A 52 2.998 13.075 -3.630 1.00 25.00 H new ATOM 0 HA GLN A 52 1.774 14.445 -1.480 1.00 25.00 H new ATOM 0 HB2 GLN A 52 0.932 14.127 -3.841 1.00 25.00 H new ATOM 0 HB3 GLN A 52 0.559 12.466 -3.426 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -1.427 13.911 -3.284 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -1.042 13.185 -1.736 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -1.603 14.552 -0.185 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -1.232 16.279 -0.162 1.00 25.00 H new ATOM 865 N LEU A 53 1.918 11.155 -1.257 1.00 25.00 N ATOM 866 CA LEU A 53 1.794 10.042 -0.297 1.00 25.00 C ATOM 867 C LEU A 53 2.673 10.222 0.918 1.00 25.00 C ATOM 868 O LEU A 53 2.338 9.734 1.975 1.00 25.00 O ATOM 869 CB LEU A 53 2.154 8.717 -0.998 1.00 25.00 C ATOM 870 CG LEU A 53 1.131 8.188 -1.994 1.00 25.00 C ATOM 871 CD1 LEU A 53 1.692 6.932 -2.718 1.00 25.00 C ATOM 872 CD2 LEU A 53 -0.194 7.816 -1.309 1.00 25.00 C ATOM 0 H LEU A 53 2.298 10.890 -2.165 1.00 25.00 H new ATOM 0 HA LEU A 53 0.760 10.026 0.049 1.00 25.00 H new ATOM 0 HB2 LEU A 53 3.102 8.851 -1.518 1.00 25.00 H new ATOM 0 HB3 LEU A 53 2.314 7.957 -0.234 1.00 25.00 H new ATOM 0 HG LEU A 53 0.937 8.984 -2.713 1.00 25.00 H new ATOM 0 HD11 LEU A 53 0.953 6.561 -3.428 1.00 25.00 H new ATOM 0 HD12 LEU A 53 2.606 7.197 -3.250 1.00 25.00 H new ATOM 0 HD13 LEU A 53 1.911 6.156 -1.984 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -0.897 7.443 -2.054 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -0.013 7.043 -0.562 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -0.613 8.698 -0.824 1.00 25.00 H new ATOM 884 N TYR A 54 3.777 10.929 0.782 1.00 25.00 N ATOM 885 CA TYR A 54 4.637 11.179 1.944 1.00 25.00 C ATOM 886 C TYR A 54 3.945 12.159 2.910 1.00 25.00 C ATOM 887 O TYR A 54 3.946 11.961 4.112 1.00 25.00 O ATOM 888 CB TYR A 54 6.005 11.727 1.502 1.00 25.00 C ATOM 889 CG TYR A 54 6.520 12.879 2.346 1.00 25.00 C ATOM 890 CD1 TYR A 54 7.246 12.633 3.521 1.00 25.00 C ATOM 891 CD2 TYR A 54 6.291 14.221 1.957 1.00 25.00 C ATOM 892 CE1 TYR A 54 7.727 13.717 4.293 1.00 25.00 C ATOM 893 CE2 TYR A 54 6.778 15.288 2.715 1.00 25.00 C ATOM 894 CZ TYR A 54 7.491 15.025 3.881 1.00 25.00 C ATOM 895 OH TYR A 54 7.948 16.069 4.631 1.00 25.00 O ATOM 0 H TYR A 54 4.103 11.336 -0.095 1.00 25.00 H new ATOM 0 HA TYR A 54 4.805 10.235 2.463 1.00 25.00 H new ATOM 0 HB2 TYR A 54 6.734 10.917 1.531 1.00 25.00 H new ATOM 0 HB3 TYR A 54 5.934 12.055 0.465 1.00 25.00 H new ATOM 0 HD1 TYR A 54 7.437 11.618 3.836 1.00 25.00 H new ATOM 0 HD2 TYR A 54 5.729 14.423 1.057 1.00 25.00 H new ATOM 0 HE1 TYR A 54 8.278 13.529 5.203 1.00 25.00 H new ATOM 0 HE2 TYR A 54 6.603 16.306 2.400 1.00 25.00 H new ATOM 0 HH TYR A 54 7.699 16.914 4.202 1.00 25.00 H new ATOM 905 N GLN A 55 3.246 13.143 2.374 1.00 25.00 N ATOM 906 CA GLN A 55 2.492 14.060 3.215 1.00 25.00 C ATOM 907 C GLN A 55 1.321 13.347 3.849 1.00 25.00 C ATOM 908 O GLN A 55 1.007 13.574 5.012 1.00 25.00 O ATOM 909 CB GLN A 55 1.981 15.239 2.404 1.00 25.00 C ATOM 910 CG GLN A 55 3.055 16.024 1.710 1.00 25.00 C ATOM 911 CD GLN A 55 2.517 17.307 1.181 1.00 25.00 C ATOM 912 OE1 GLN A 55 2.188 18.207 1.943 1.00 25.00 O ATOM 913 NE2 GLN A 55 2.428 17.415 -0.111 1.00 25.00 N ATOM 0 H GLN A 55 3.183 13.328 1.373 1.00 25.00 H new ATOM 0 HA GLN A 55 3.160 14.427 3.994 1.00 25.00 H new ATOM 0 HB2 GLN A 55 1.275 14.873 1.658 1.00 25.00 H new ATOM 0 HB3 GLN A 55 1.429 15.907 3.065 1.00 25.00 H new ATOM 0 HG2 GLN A 55 3.870 16.226 2.405 1.00 25.00 H new ATOM 0 HG3 GLN A 55 3.471 15.435 0.893 1.00 25.00 H new ATOM 0 HE21 GLN A 55 2.714 16.639 -0.709 1.00 25.00 H new ATOM 0 HE22 GLN A 55 2.072 18.276 -0.528 1.00 25.00 H new ATOM 922 N VAL A 56 0.693 12.449 3.092 1.00 25.00 N ATOM 923 CA VAL A 56 -0.440 11.680 3.618 1.00 25.00 C ATOM 924 C VAL A 56 0.013 10.709 4.696 1.00 25.00 C ATOM 925 O VAL A 56 -0.654 10.567 5.725 1.00 25.00 O ATOM 926 CB VAL A 56 -1.179 10.925 2.450 1.00 25.00 C ATOM 927 CG1 VAL A 56 -2.313 10.028 3.006 1.00 25.00 C ATOM 928 CG2 VAL A 56 -1.799 11.953 1.483 1.00 25.00 C ATOM 0 H VAL A 56 0.942 12.236 2.126 1.00 25.00 H new ATOM 0 HA VAL A 56 -1.144 12.375 4.076 1.00 25.00 H new ATOM 0 HB VAL A 56 -0.450 10.303 1.931 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -2.810 9.516 2.182 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -1.892 9.291 3.690 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -3.037 10.645 3.539 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -2.310 11.430 0.675 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -2.514 12.575 2.022 1.00 25.00 H new ATOM 0 HG23 VAL A 56 -1.012 12.582 1.067 1.00 25.00 H new ATOM 938 N GLN A 57 1.202 10.135 4.555 1.00 25.00 N ATOM 939 CA GLN A 57 1.787 9.325 5.625 1.00 25.00 C ATOM 940 C GLN A 57 1.947 10.139 6.904 1.00 25.00 C ATOM 941 O GLN A 57 1.513 9.716 7.970 1.00 25.00 O ATOM 942 CB GLN A 57 3.158 8.799 5.187 1.00 25.00 C ATOM 943 CG GLN A 57 3.116 7.411 4.573 1.00 25.00 C ATOM 944 CD GLN A 57 4.305 6.592 4.996 1.00 25.00 C ATOM 945 OE1 GLN A 57 4.458 6.245 6.148 1.00 25.00 O ATOM 946 NE2 GLN A 57 5.150 6.259 4.052 1.00 25.00 N ATOM 0 H GLN A 57 1.779 10.212 3.718 1.00 25.00 H new ATOM 0 HA GLN A 57 1.114 8.491 5.824 1.00 25.00 H new ATOM 0 HB2 GLN A 57 3.589 9.492 4.465 1.00 25.00 H new ATOM 0 HB3 GLN A 57 3.823 8.784 6.050 1.00 25.00 H new ATOM 0 HG2 GLN A 57 2.198 6.906 4.873 1.00 25.00 H new ATOM 0 HG3 GLN A 57 3.095 7.492 3.486 1.00 25.00 H new ATOM 0 HE21 GLN A 57 4.991 6.568 3.093 1.00 25.00 H new ATOM 0 HE22 GLN A 57 5.967 5.691 4.276 1.00 25.00 H new ATOM 955 N LEU A 58 2.494 11.343 6.790 1.00 25.00 N ATOM 956 CA LEU A 58 2.612 12.218 7.947 1.00 25.00 C ATOM 957 C LEU A 58 1.239 12.579 8.533 1.00 25.00 C ATOM 958 O LEU A 58 1.079 12.634 9.743 1.00 25.00 O ATOM 959 CB LEU A 58 3.349 13.489 7.569 1.00 25.00 C ATOM 960 CG LEU A 58 4.843 13.350 7.233 1.00 25.00 C ATOM 961 CD1 LEU A 58 5.381 14.708 6.805 1.00 25.00 C ATOM 962 CD2 LEU A 58 5.657 12.859 8.406 1.00 25.00 C ATOM 0 H LEU A 58 2.858 11.731 5.920 1.00 25.00 H new ATOM 0 HA LEU A 58 3.174 11.676 8.708 1.00 25.00 H new ATOM 0 HB2 LEU A 58 2.847 13.930 6.708 1.00 25.00 H new ATOM 0 HB3 LEU A 58 3.250 14.197 8.392 1.00 25.00 H new ATOM 0 HG LEU A 58 4.931 12.614 6.434 1.00 25.00 H new ATOM 0 HD11 LEU A 58 6.440 14.620 6.564 1.00 25.00 H new ATOM 0 HD12 LEU A 58 4.837 15.054 5.926 1.00 25.00 H new ATOM 0 HD13 LEU A 58 5.251 15.423 7.617 1.00 25.00 H new ATOM 0 HD21 LEU A 58 6.704 12.779 8.114 1.00 25.00 H new ATOM 0 HD22 LEU A 58 5.564 13.562 9.233 1.00 25.00 H new ATOM 0 HD23 LEU A 58 5.292 11.881 8.718 1.00 25.00 H new ATOM 974 N ALA A 59 0.244 12.769 7.687 1.00 25.00 N ATOM 975 CA ALA A 59 -1.094 13.051 8.163 1.00 25.00 C ATOM 976 C ALA A 59 -1.627 11.897 9.034 1.00 25.00 C ATOM 977 O ALA A 59 -2.295 12.134 10.043 1.00 25.00 O ATOM 978 CB ALA A 59 -2.024 13.286 6.989 1.00 25.00 C ATOM 0 H ALA A 59 0.337 12.733 6.672 1.00 25.00 H new ATOM 0 HA ALA A 59 -1.054 13.951 8.777 1.00 25.00 H new ATOM 0 HB1 ALA A 59 -3.028 13.497 7.357 1.00 25.00 H new ATOM 0 HB2 ALA A 59 -1.666 14.134 6.405 1.00 25.00 H new ATOM 0 HB3 ALA A 59 -2.048 12.396 6.360 1.00 25.00 H new ATOM 984 N GLN A 60 -1.300 10.662 8.687 1.00 25.00 N ATOM 985 CA GLN A 60 -1.700 9.516 9.519 1.00 25.00 C ATOM 986 C GLN A 60 -0.942 9.522 10.849 1.00 25.00 C ATOM 987 O GLN A 60 -1.538 9.272 11.886 1.00 25.00 O ATOM 988 CB GLN A 60 -1.434 8.193 8.824 1.00 25.00 C ATOM 989 CG GLN A 60 -2.224 7.985 7.552 1.00 25.00 C ATOM 990 CD GLN A 60 -2.283 6.540 7.138 1.00 25.00 C ATOM 991 OE1 GLN A 60 -1.357 5.783 7.359 1.00 25.00 O ATOM 992 NE2 GLN A 60 -3.408 6.142 6.581 1.00 25.00 N ATOM 0 H GLN A 60 -0.768 10.420 7.851 1.00 25.00 H new ATOM 0 HA GLN A 60 -2.771 9.617 9.695 1.00 25.00 H new ATOM 0 HB2 GLN A 60 -0.371 8.126 8.592 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -1.661 7.381 9.515 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -3.238 8.361 7.693 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -1.775 8.571 6.750 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -4.159 6.812 6.414 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -3.528 5.164 6.317 1.00 25.00 H new ATOM 1001 N GLN A 61 0.357 9.833 10.795 1.00 25.00 N ATOM 1002 CA GLN A 61 1.188 9.861 12.005 1.00 25.00 C ATOM 1003 C GLN A 61 0.599 10.883 12.977 1.00 25.00 C ATOM 1004 O GLN A 61 0.488 10.626 14.155 1.00 25.00 O ATOM 1005 CB GLN A 61 2.627 10.284 11.661 1.00 25.00 C ATOM 1006 CG GLN A 61 3.392 9.339 10.741 1.00 25.00 C ATOM 1007 CD GLN A 61 4.056 8.178 11.458 1.00 25.00 C ATOM 1008 OE1 GLN A 61 3.996 8.036 12.675 1.00 25.00 O ATOM 1009 NE2 GLN A 61 4.739 7.357 10.705 1.00 25.00 N ATOM 0 H GLN A 61 0.853 10.067 9.935 1.00 25.00 H new ATOM 0 HA GLN A 61 1.205 8.865 12.448 1.00 25.00 H new ATOM 0 HB2 GLN A 61 2.595 11.269 11.195 1.00 25.00 H new ATOM 0 HB3 GLN A 61 3.187 10.389 12.590 1.00 25.00 H new ATOM 0 HG2 GLN A 61 2.706 8.945 9.991 1.00 25.00 H new ATOM 0 HG3 GLN A 61 4.155 9.907 10.208 1.00 25.00 H new ATOM 0 HE21 GLN A 61 4.772 7.499 9.695 1.00 25.00 H new ATOM 0 HE22 GLN A 61 5.239 6.575 11.127 1.00 25.00 H new ATOM 1018 N GLN A 62 0.221 12.030 12.452 1.00 25.00 N ATOM 1019 CA GLN A 62 -0.327 13.122 13.257 1.00 25.00 C ATOM 1020 C GLN A 62 -1.697 12.797 13.813 1.00 25.00 C ATOM 1021 O GLN A 62 -2.069 13.248 14.896 1.00 25.00 O ATOM 1022 CB GLN A 62 -0.443 14.368 12.397 1.00 25.00 C ATOM 1023 CG GLN A 62 0.900 14.898 11.908 1.00 25.00 C ATOM 1024 CD GLN A 62 1.236 16.235 12.513 1.00 25.00 C ATOM 1025 OE1 GLN A 62 1.225 16.415 13.707 1.00 25.00 O ATOM 1026 NE2 GLN A 62 1.508 17.207 11.662 1.00 25.00 N ATOM 0 H GLN A 62 0.282 12.240 11.456 1.00 25.00 H new ATOM 0 HA GLN A 62 0.352 13.279 14.095 1.00 25.00 H new ATOM 0 HB2 GLN A 62 -1.073 14.147 11.535 1.00 25.00 H new ATOM 0 HB3 GLN A 62 -0.946 15.148 12.968 1.00 25.00 H new ATOM 0 HG2 GLN A 62 1.684 14.182 12.155 1.00 25.00 H new ATOM 0 HG3 GLN A 62 0.880 14.987 10.822 1.00 25.00 H new ATOM 0 HE21 GLN A 62 1.509 17.021 10.659 1.00 25.00 H new ATOM 0 HE22 GLN A 62 1.717 18.144 12.007 1.00 25.00 H new ATOM 1035 N ALA A 63 -2.446 11.990 13.081 1.00 25.00 N ATOM 1036 CA ALA A 63 -3.781 11.573 13.489 1.00 25.00 C ATOM 1037 C ALA A 63 -3.699 10.621 14.669 1.00 25.00 C ATOM 1038 O ALA A 63 -4.657 10.487 15.413 1.00 25.00 O ATOM 1039 CB ALA A 63 -4.493 10.899 12.319 1.00 25.00 C ATOM 0 H ALA A 63 -2.147 11.604 12.185 1.00 25.00 H new ATOM 0 HA ALA A 63 -4.348 12.453 13.792 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -5.491 10.589 12.630 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -4.573 11.601 11.489 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -3.924 10.025 12.002 1.00 25.00 H new ATOM 1045 N ALA A 64 -2.555 9.974 14.834 1.00 25.00 N ATOM 1046 CA ALA A 64 -2.313 9.108 16.004 1.00 25.00 C ATOM 1047 C ALA A 64 -1.803 9.892 17.225 1.00 25.00 C ATOM 1048 O ALA A 64 -1.940 9.454 18.372 1.00 25.00 O ATOM 1049 CB ALA A 64 -1.317 8.011 15.650 1.00 25.00 C ATOM 0 H ALA A 64 -1.774 10.025 14.180 1.00 25.00 H new ATOM 0 HA ALA A 64 -3.273 8.668 16.274 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -1.147 7.379 16.522 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -1.716 7.406 14.836 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -0.374 8.462 15.339 1.00 25.00 H new ATOM 1055 N LEU A 65 -1.201 11.050 16.987 1.00 25.00 N ATOM 1056 CA LEU A 65 -0.639 11.875 18.055 1.00 25.00 C ATOM 1057 C LEU A 65 -1.674 12.838 18.630 1.00 25.00 C ATOM 1058 O LEU A 65 -1.707 13.066 19.833 1.00 25.00 O ATOM 1059 CB LEU A 65 0.530 12.704 17.530 1.00 25.00 C ATOM 1060 CG LEU A 65 1.822 11.947 17.187 1.00 25.00 C ATOM 1061 CD1 LEU A 65 2.769 12.905 16.473 1.00 25.00 C ATOM 1062 CD2 LEU A 65 2.527 11.392 18.426 1.00 25.00 C ATOM 0 H LEU A 65 -1.087 11.445 16.053 1.00 25.00 H new ATOM 0 HA LEU A 65 -0.307 11.192 18.837 1.00 25.00 H new ATOM 0 HB2 LEU A 65 0.198 13.230 16.635 1.00 25.00 H new ATOM 0 HB3 LEU A 65 0.769 13.463 18.275 1.00 25.00 H new ATOM 0 HG LEU A 65 1.553 11.100 16.556 1.00 25.00 H new ATOM 0 HD11 LEU A 65 3.693 12.384 16.222 1.00 25.00 H new ATOM 0 HD12 LEU A 65 2.298 13.269 15.560 1.00 25.00 H new ATOM 0 HD13 LEU A 65 2.994 13.748 17.126 1.00 25.00 H new ATOM 0 HD21 LEU A 65 3.433 10.867 18.124 1.00 25.00 H new ATOM 0 HD22 LEU A 65 2.788 12.213 19.094 1.00 25.00 H new ATOM 0 HD23 LEU A 65 1.862 10.700 18.944 1.00 25.00 H new ATOM 1074 N GLN A 66 -2.500 13.390 17.746 1.00 25.00 N ATOM 1075 CA GLN A 66 -3.585 14.305 18.109 1.00 25.00 C ATOM 1076 C GLN A 66 -3.170 15.494 18.989 1.00 25.00 C ATOM 1077 O GLN A 66 -3.928 15.935 19.819 1.00 25.00 O ATOM 1078 CB GLN A 66 -4.722 13.494 18.749 1.00 25.00 C ATOM 1079 CG GLN A 66 -5.190 12.374 17.855 1.00 25.00 C ATOM 1080 CD GLN A 66 -6.416 11.713 18.391 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -6.497 11.363 19.553 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -7.388 11.522 17.537 1.00 25.00 N ATOM 0 H GLN A 66 -2.436 13.214 16.743 1.00 25.00 H new ATOM 0 HA GLN A 66 -3.922 14.776 17.186 1.00 25.00 H new ATOM 0 HB2 GLN A 66 -4.383 13.082 19.699 1.00 25.00 H new ATOM 0 HB3 GLN A 66 -5.560 14.156 18.970 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -5.394 12.765 16.858 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -4.395 11.636 17.751 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -7.285 11.829 16.570 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -8.249 11.066 17.838 1.00 25.00 H new ATOM 1091 N LYS A 67 -1.984 16.036 18.762 1.00 25.00 N ATOM 1092 CA LYS A 67 -1.510 17.206 19.491 1.00 25.00 C ATOM 1093 C LYS A 67 -0.716 18.109 18.558 1.00 25.00 C ATOM 1094 O LYS A 67 0.287 17.707 18.004 1.00 25.00 O ATOM 1095 CB LYS A 67 -0.641 16.767 20.683 1.00 25.00 C ATOM 1096 CG LYS A 67 -0.354 17.915 21.651 1.00 25.00 C ATOM 1097 CD LYS A 67 0.576 17.436 22.767 1.00 25.00 C ATOM 1098 CE LYS A 67 0.664 18.462 23.915 1.00 25.00 C ATOM 1099 NZ LYS A 67 1.299 19.716 23.455 1.00 25.00 N ATOM 0 H LYS A 67 -1.324 15.680 18.071 1.00 25.00 H new ATOM 0 HA LYS A 67 -2.366 17.762 19.872 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -1.144 15.962 21.218 1.00 25.00 H new ATOM 0 HB3 LYS A 67 0.302 16.364 20.313 1.00 25.00 H new ATOM 0 HG2 LYS A 67 0.104 18.747 21.116 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -1.287 18.285 22.077 1.00 25.00 H new ATOM 0 HD2 LYS A 67 0.217 16.484 23.157 1.00 25.00 H new ATOM 0 HD3 LYS A 67 1.572 17.259 22.360 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -0.335 18.674 24.296 1.00 25.00 H new ATOM 0 HE3 LYS A 67 1.237 18.041 24.741 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 1.362 20.385 24.249 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 2.254 19.511 23.098 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 0.728 20.136 22.694 1.00 25.00 H new ATOM 1113 N GLN A 68 -1.224 19.314 18.402 1.00 25.00 N ATOM 1114 CA GLN A 68 -0.626 20.358 17.553 1.00 25.00 C ATOM 1115 C GLN A 68 -0.098 19.868 16.183 1.00 25.00 C ATOM 1116 O GLN A 68 1.085 19.701 15.949 1.00 25.00 O ATOM 1117 CB GLN A 68 0.418 21.208 18.333 1.00 25.00 C ATOM 1118 CG GLN A 68 1.671 20.468 18.863 1.00 25.00 C ATOM 1119 CD GLN A 68 2.480 21.318 19.822 1.00 25.00 C ATOM 1120 OE1 GLN A 68 2.039 21.594 20.943 1.00 25.00 O ATOM 1121 NE2 GLN A 68 3.659 21.715 19.403 1.00 25.00 N ATOM 0 H GLN A 68 -2.081 19.614 18.866 1.00 25.00 H new ATOM 0 HA GLN A 68 -1.456 21.014 17.289 1.00 25.00 H new ATOM 0 HB2 GLN A 68 0.752 22.016 17.682 1.00 25.00 H new ATOM 0 HB3 GLN A 68 -0.087 21.670 19.181 1.00 25.00 H new ATOM 0 HG2 GLN A 68 1.363 19.551 19.365 1.00 25.00 H new ATOM 0 HG3 GLN A 68 2.300 20.175 18.022 1.00 25.00 H new ATOM 0 HE21 GLN A 68 3.980 21.462 18.468 1.00 25.00 H new ATOM 0 HE22 GLN A 68 4.254 22.277 20.012 1.00 25.00 H new ATOM 1130 N GLN A 69 -1.047 19.726 15.243 1.00 25.00 N ATOM 1131 CA GLN A 69 -0.697 19.436 13.855 1.00 25.00 C ATOM 1132 C GLN A 69 0.307 20.483 13.327 1.00 25.00 C ATOM 1133 O GLN A 69 0.195 21.670 13.484 1.00 25.00 O ATOM 1134 CB GLN A 69 -1.935 19.382 12.912 1.00 25.00 C ATOM 1135 CG GLN A 69 -2.759 18.084 13.107 1.00 25.00 C ATOM 1136 CD GLN A 69 -3.996 18.004 12.221 1.00 25.00 C ATOM 1137 OE1 GLN A 69 -5.094 17.689 12.617 1.00 25.00 O ATOM 1138 NE2 GLN A 69 -3.827 18.255 10.927 1.00 25.00 N ATOM 1139 OXT GLN A 69 1.291 19.985 12.660 1.00 25.00 O ATOM 0 H GLN A 69 -2.048 19.807 15.422 1.00 25.00 H new ATOM 0 HA GLN A 69 -0.244 18.444 13.852 1.00 25.00 H new ATOM 0 HB2 GLN A 69 -2.571 20.247 13.100 1.00 25.00 H new ATOM 0 HB3 GLN A 69 -1.604 19.449 11.876 1.00 25.00 H new ATOM 0 HG2 GLN A 69 -2.120 17.225 12.902 1.00 25.00 H new ATOM 0 HG3 GLN A 69 -3.065 18.012 14.151 1.00 25.00 H new ATOM 0 HE21 GLN A 69 -2.908 18.522 10.575 1.00 25.00 H new ATOM 0 HE22 GLN A 69 -4.617 18.181 10.286 1.00 25.00 H new TER 1149 GLN A 69