USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 833 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 11 HIS : no HE2:sc= 0.0391 X(o=1.3,f=0.97) USER MOD Set 1.2: A 35 ASN : amide:sc= 1.29 K(o=1.3,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.21 (180deg=0.882) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.0715 USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 25 SER OG : rot -21:sc= 0.25 USER MOD Single : A 26 THR OG1 : rot -91:sc= 1.26 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 30 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.31) USER MOD Single : A 32 LYS NZ :NH3+ -125:sc= 1.22 (180deg=-0.156) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -94:sc= 1.25 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0.991 (180deg=0.46) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 110:sc= 0.514 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.91 K(o=0.91,f=-0.46) USER MOD Single : A 60 THR OG1 : rot 121:sc= -0.899! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -152:sc= 1.27 USER MOD Single : A 70 ASN : amide:sc=-0.00412 X(o=-0.0041,f=0) USER MOD Single : A 72 THR OG1 : rot -63:sc= 0.464 USER MOD Single : A 73 SER OG : rot 180:sc= 0.00849 USER MOD Single : A 77 LYS NZ :NH3+ -106:sc= 0.104 (180deg=-2.68!) USER MOD Single : A 78 TYR OH : rot -178:sc= -0.297 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 171:sc= -0.0232 (180deg=-0.15) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 129:sc= -0.868 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.483 K(o=-0.48,f=-7.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.36 F(o=-1.5,f=-0.36) USER MOD Single : A 94 GLN : amide:sc= -1.99! C(o=-2!,f=-3.5!) USER MOD Single : A 98 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 104 SER OG : rot 180:sc=-0.00227 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.378 16.360 3.298 1.00 2.73 N ATOM 2 CA MET A 1 -5.807 15.059 3.713 1.00 1.99 C ATOM 3 C MET A 1 -5.413 14.252 2.484 1.00 1.53 C ATOM 4 O MET A 1 -5.772 14.609 1.364 1.00 2.16 O ATOM 5 CB MET A 1 -6.820 14.267 4.556 1.00 2.50 C ATOM 6 CG MET A 1 -7.988 13.689 3.759 1.00 3.10 C ATOM 7 SD MET A 1 -8.968 14.947 2.922 1.00 4.10 S ATOM 8 CE MET A 1 -10.187 13.926 2.096 1.00 4.70 C ATOM 0 H1 MET A 1 -6.378 17.013 4.107 1.00 2.73 H new ATOM 0 H2 MET A 1 -5.804 16.761 2.529 1.00 2.73 H new ATOM 0 H3 MET A 1 -7.354 16.221 2.966 1.00 2.73 H new ATOM 0 HA MET A 1 -4.922 15.246 4.321 1.00 1.99 H new ATOM 0 HB2 MET A 1 -6.299 13.451 5.057 1.00 2.50 H new ATOM 0 HB3 MET A 1 -7.215 14.919 5.335 1.00 2.50 H new ATOM 0 HG2 MET A 1 -7.603 12.987 3.020 1.00 3.10 H new ATOM 0 HG3 MET A 1 -8.633 13.123 4.431 1.00 3.10 H new ATOM 0 HE1 MET A 1 -10.871 14.560 1.532 1.00 4.70 H new ATOM 0 HE2 MET A 1 -9.685 13.239 1.415 1.00 4.70 H new ATOM 0 HE3 MET A 1 -10.748 13.357 2.838 1.00 4.70 H new ATOM 20 N GLN A 2 -4.665 13.177 2.693 1.00 0.97 N ATOM 21 CA GLN A 2 -4.319 12.282 1.600 1.00 0.74 C ATOM 22 C GLN A 2 -5.489 11.349 1.315 1.00 0.65 C ATOM 23 O GLN A 2 -6.204 10.944 2.235 1.00 0.86 O ATOM 24 CB GLN A 2 -3.060 11.476 1.928 1.00 1.18 C ATOM 25 CG GLN A 2 -1.884 12.347 2.344 1.00 1.83 C ATOM 26 CD GLN A 2 -0.556 11.614 2.312 1.00 2.42 C ATOM 27 OE1 GLN A 2 -0.493 10.396 2.490 1.00 2.91 O ATOM 28 NE2 GLN A 2 0.517 12.362 2.099 1.00 3.09 N ATOM 0 H GLN A 2 -4.289 12.906 3.602 1.00 0.97 H new ATOM 0 HA GLN A 2 -4.110 12.879 0.712 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -3.285 10.773 2.730 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -2.777 10.886 1.057 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -1.830 13.212 1.684 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -2.059 12.725 3.351 1.00 1.83 H new ATOM 0 HE21 GLN A 2 0.418 13.367 1.956 1.00 3.09 H new ATOM 0 HE22 GLN A 2 1.442 11.933 2.078 1.00 3.09 H new ATOM 37 N ASP A 3 -5.681 11.018 0.046 1.00 0.48 N ATOM 38 CA ASP A 3 -6.820 10.211 -0.373 1.00 0.44 C ATOM 39 C ASP A 3 -6.399 9.185 -1.419 1.00 0.32 C ATOM 40 O ASP A 3 -5.206 8.994 -1.658 1.00 0.32 O ATOM 41 CB ASP A 3 -7.931 11.105 -0.943 1.00 0.55 C ATOM 42 CG ASP A 3 -7.580 11.694 -2.298 1.00 1.30 C ATOM 43 OD1 ASP A 3 -6.989 12.794 -2.339 1.00 1.67 O ATOM 44 OD2 ASP A 3 -7.888 11.059 -3.328 1.00 1.97 O ATOM 0 H ASP A 3 -5.061 11.297 -0.714 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.200 9.685 0.503 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.848 10.523 -1.032 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -8.134 11.915 -0.242 1.00 0.55 H new ATOM 49 N TRP A 4 -7.391 8.558 -2.046 1.00 0.32 N ATOM 50 CA TRP A 4 -7.184 7.460 -2.991 1.00 0.27 C ATOM 51 C TRP A 4 -6.146 7.781 -4.069 1.00 0.24 C ATOM 52 O TRP A 4 -5.319 6.935 -4.405 1.00 0.25 O ATOM 53 CB TRP A 4 -8.516 7.095 -3.651 1.00 0.29 C ATOM 54 CG TRP A 4 -8.391 6.014 -4.677 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.653 6.114 -6.012 1.00 0.33 C ATOM 56 CD2 TRP A 4 -7.956 4.671 -4.452 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.410 4.912 -6.629 1.00 0.32 N ATOM 58 CE2 TRP A 4 -7.981 4.012 -5.691 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.549 3.964 -3.321 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.613 2.680 -5.830 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.185 2.639 -3.458 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.219 2.008 -4.705 1.00 0.22 C ATOM 0 H TRP A 4 -8.373 8.800 -1.912 1.00 0.32 H new ATOM 0 HA TRP A 4 -6.795 6.618 -2.419 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.220 6.777 -2.882 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.937 7.984 -4.120 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.000 7.007 -6.510 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.530 4.721 -7.624 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.519 4.445 -2.354 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.637 2.191 -6.793 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -6.869 2.082 -2.588 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -6.929 0.971 -4.782 1.00 0.22 H new ATOM 73 N LEU A 5 -6.191 8.992 -4.612 1.00 0.28 N ATOM 74 CA LEU A 5 -5.290 9.371 -5.698 1.00 0.32 C ATOM 75 C LEU A 5 -3.827 9.223 -5.283 1.00 0.32 C ATOM 76 O LEU A 5 -3.023 8.629 -6.005 1.00 0.35 O ATOM 77 CB LEU A 5 -5.576 10.804 -6.156 1.00 0.42 C ATOM 78 CG LEU A 5 -6.744 10.964 -7.140 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.439 10.254 -8.449 1.00 0.75 C ATOM 80 CD2 LEU A 5 -8.049 10.448 -6.549 1.00 0.84 C ATOM 0 H LEU A 5 -6.837 9.726 -4.321 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.470 8.695 -6.534 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.779 11.414 -5.276 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.675 11.205 -6.621 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.866 12.029 -7.336 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.278 10.378 -9.134 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.541 10.682 -8.894 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.280 9.193 -8.259 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.853 10.578 -7.274 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.946 9.390 -6.307 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -8.284 11.006 -5.643 1.00 0.84 H new ATOM 92 N THR A 6 -3.493 9.736 -4.111 1.00 0.34 N ATOM 93 CA THR A 6 -2.137 9.636 -3.595 1.00 0.40 C ATOM 94 C THR A 6 -1.897 8.252 -2.991 1.00 0.35 C ATOM 95 O THR A 6 -0.787 7.717 -3.047 1.00 0.37 O ATOM 96 CB THR A 6 -1.878 10.720 -2.532 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.205 12.007 -3.068 1.00 0.59 O ATOM 98 CG2 THR A 6 -0.426 10.708 -2.076 1.00 0.61 C ATOM 0 H THR A 6 -4.143 10.227 -3.497 1.00 0.34 H new ATOM 0 HA THR A 6 -1.447 9.787 -4.425 1.00 0.40 H new ATOM 0 HB THR A 6 -2.508 10.509 -1.668 1.00 0.52 H new ATOM 0 HG1 THR A 6 -2.041 12.695 -2.390 1.00 0.59 H new ATOM 0 HG21 THR A 6 -0.274 11.484 -1.326 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.188 9.735 -1.646 1.00 0.61 H new ATOM 0 HG23 THR A 6 0.225 10.896 -2.930 1.00 0.61 H new ATOM 106 N PHE A 7 -2.953 7.677 -2.425 1.00 0.29 N ATOM 107 CA PHE A 7 -2.903 6.327 -1.878 1.00 0.26 C ATOM 108 C PHE A 7 -2.417 5.357 -2.948 1.00 0.23 C ATOM 109 O PHE A 7 -1.577 4.499 -2.685 1.00 0.24 O ATOM 110 CB PHE A 7 -4.292 5.916 -1.373 1.00 0.24 C ATOM 111 CG PHE A 7 -4.343 4.578 -0.679 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.400 3.400 -1.409 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.342 4.502 0.706 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.452 2.174 -0.773 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.395 3.278 1.346 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.450 2.113 0.606 1.00 0.27 C ATOM 0 H PHE A 7 -3.862 8.131 -2.333 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.207 6.303 -1.039 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.654 6.680 -0.685 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -4.980 5.897 -2.219 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.404 3.441 -2.488 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.299 5.409 1.291 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.494 1.265 -1.354 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.393 3.233 2.425 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.491 1.156 1.105 1.00 0.27 H new ATOM 126 N GLN A 8 -2.948 5.515 -4.153 1.00 0.23 N ATOM 127 CA GLN A 8 -2.525 4.731 -5.298 1.00 0.24 C ATOM 128 C GLN A 8 -1.028 4.830 -5.515 1.00 0.24 C ATOM 129 O GLN A 8 -0.322 3.826 -5.505 1.00 0.25 O ATOM 130 CB GLN A 8 -3.215 5.227 -6.550 1.00 0.27 C ATOM 131 CG GLN A 8 -4.553 4.575 -6.827 1.00 0.27 C ATOM 132 CD GLN A 8 -5.160 5.060 -8.129 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.937 4.474 -9.186 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.924 6.138 -8.064 1.00 0.45 N ATOM 0 H GLN A 8 -3.683 6.191 -4.361 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.792 3.694 -5.097 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.360 6.304 -6.468 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.558 5.058 -7.403 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.428 3.493 -6.866 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.237 4.788 -6.006 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.085 6.596 -7.167 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.352 6.511 -8.911 1.00 0.45 H new ATOM 143 N LYS A 9 -0.561 6.057 -5.703 1.00 0.26 N ATOM 144 CA LYS A 9 0.843 6.323 -5.984 1.00 0.29 C ATOM 145 C LYS A 9 1.741 5.596 -4.993 1.00 0.29 C ATOM 146 O LYS A 9 2.767 5.023 -5.355 1.00 0.33 O ATOM 147 CB LYS A 9 1.118 7.825 -5.881 1.00 0.32 C ATOM 148 CG LYS A 9 0.213 8.691 -6.740 1.00 0.33 C ATOM 149 CD LYS A 9 0.444 8.453 -8.221 1.00 0.67 C ATOM 150 CE LYS A 9 1.860 8.836 -8.634 1.00 1.20 C ATOM 151 NZ LYS A 9 2.109 8.598 -10.079 1.00 1.88 N ATOM 0 H LYS A 9 -1.143 6.894 -5.665 1.00 0.26 H new ATOM 0 HA LYS A 9 1.058 5.968 -6.992 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.011 8.131 -4.840 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.154 8.012 -6.164 1.00 0.32 H new ATOM 0 HG2 LYS A 9 -0.829 8.481 -6.496 1.00 0.33 H new ATOM 0 HG3 LYS A 9 0.389 9.742 -6.509 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.267 7.403 -8.454 1.00 0.67 H new ATOM 0 HD3 LYS A 9 -0.275 9.033 -8.800 1.00 0.67 H new ATOM 0 HE2 LYS A 9 2.030 9.888 -8.407 1.00 1.20 H new ATOM 0 HE3 LYS A 9 2.576 8.263 -8.045 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 3.084 8.873 -10.313 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 1.973 7.589 -10.293 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 1.445 9.165 -10.644 1.00 1.88 H new ATOM 165 N LYS A 10 1.324 5.628 -3.743 1.00 0.28 N ATOM 166 CA LYS A 10 2.159 5.171 -2.640 1.00 0.30 C ATOM 167 C LYS A 10 1.939 3.705 -2.272 1.00 0.26 C ATOM 168 O LYS A 10 2.743 3.130 -1.543 1.00 0.29 O ATOM 169 CB LYS A 10 1.936 6.067 -1.413 1.00 0.38 C ATOM 170 CG LYS A 10 2.218 7.539 -1.681 1.00 0.63 C ATOM 171 CD LYS A 10 2.117 8.383 -0.419 1.00 0.73 C ATOM 172 CE LYS A 10 3.283 8.128 0.524 1.00 1.10 C ATOM 173 NZ LYS A 10 3.262 9.043 1.696 1.00 1.34 N ATOM 0 H LYS A 10 0.405 5.968 -3.460 1.00 0.28 H new ATOM 0 HA LYS A 10 3.192 5.246 -2.979 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.906 5.958 -1.075 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.576 5.724 -0.600 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.216 7.644 -2.107 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.513 7.913 -2.423 1.00 0.63 H new ATOM 0 HD2 LYS A 10 2.091 9.439 -0.689 1.00 0.73 H new ATOM 0 HD3 LYS A 10 1.180 8.162 0.093 1.00 0.73 H new ATOM 0 HE2 LYS A 10 3.250 7.095 0.870 1.00 1.10 H new ATOM 0 HE3 LYS A 10 4.221 8.253 -0.017 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 4.073 8.836 2.313 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 3.319 10.028 1.368 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 2.379 8.906 2.228 1.00 1.34 H new ATOM 187 N HIS A 11 0.859 3.095 -2.743 1.00 0.25 N ATOM 188 CA HIS A 11 0.530 1.744 -2.286 1.00 0.24 C ATOM 189 C HIS A 11 0.170 0.799 -3.428 1.00 0.23 C ATOM 190 O HIS A 11 0.025 -0.397 -3.206 1.00 0.26 O ATOM 191 CB HIS A 11 -0.615 1.784 -1.267 1.00 0.26 C ATOM 192 CG HIS A 11 -0.307 2.596 -0.043 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.555 2.175 0.947 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.736 3.824 0.333 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.642 3.109 1.878 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.132 4.121 1.531 1.00 0.37 N ATOM 0 H HIS A 11 0.211 3.496 -3.421 1.00 0.25 H new ATOM 0 HA HIS A 11 1.431 1.352 -1.815 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.504 2.192 -1.749 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.856 0.765 -0.965 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.048 1.282 0.959 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.426 4.454 -0.209 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.245 3.054 2.772 1.00 0.34 H new ATOM 205 N ILE A 12 0.021 1.312 -4.635 1.00 0.23 N ATOM 206 CA ILE A 12 -0.339 0.469 -5.768 1.00 0.24 C ATOM 207 C ILE A 12 0.867 0.253 -6.676 1.00 0.23 C ATOM 208 O ILE A 12 1.395 1.203 -7.260 1.00 0.30 O ATOM 209 CB ILE A 12 -1.513 1.075 -6.580 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.746 1.255 -5.690 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.860 0.211 -7.785 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.250 -0.028 -5.066 1.00 0.48 C ATOM 0 H ILE A 12 0.142 2.300 -4.859 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.665 -0.492 -5.371 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.192 2.051 -6.944 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.508 1.963 -4.896 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.547 1.697 -6.282 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.687 0.664 -8.332 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -0.992 0.133 -8.439 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.151 -0.784 -7.448 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.124 0.185 -4.451 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.522 -0.732 -5.852 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.467 -0.462 -4.445 1.00 0.48 H new ATOM 224 N THR A 13 1.316 -0.991 -6.770 1.00 0.20 N ATOM 225 CA THR A 13 2.423 -1.337 -7.646 1.00 0.21 C ATOM 226 C THR A 13 2.021 -2.487 -8.563 1.00 0.22 C ATOM 227 O THR A 13 1.153 -3.296 -8.222 1.00 0.24 O ATOM 228 CB THR A 13 3.703 -1.711 -6.859 1.00 0.21 C ATOM 229 OG1 THR A 13 4.802 -1.881 -7.764 1.00 0.30 O ATOM 230 CG2 THR A 13 3.519 -2.990 -6.055 1.00 0.21 C ATOM 0 H THR A 13 0.929 -1.778 -6.249 1.00 0.20 H new ATOM 0 HA THR A 13 2.655 -0.453 -8.240 1.00 0.21 H new ATOM 0 HB THR A 13 3.909 -0.896 -6.165 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.430 -2.537 -7.396 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.440 -3.218 -5.518 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.706 -2.857 -5.342 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.280 -3.812 -6.729 1.00 0.21 H new ATOM 238 N ASN A 14 2.639 -2.551 -9.731 1.00 0.28 N ATOM 239 CA ASN A 14 2.287 -3.558 -10.718 1.00 0.33 C ATOM 240 C ASN A 14 3.409 -4.580 -10.862 1.00 0.32 C ATOM 241 O ASN A 14 3.414 -5.393 -11.787 1.00 0.36 O ATOM 242 CB ASN A 14 1.991 -2.898 -12.067 1.00 0.46 C ATOM 243 CG ASN A 14 0.886 -1.852 -11.988 1.00 1.36 C ATOM 244 OD1 ASN A 14 -0.071 -2.043 -11.090 1.00 2.20 O flip ATOM 245 ND2 ASN A 14 0.896 -0.872 -12.730 1.00 2.08 N flip ATOM 0 H ASN A 14 3.386 -1.918 -10.018 1.00 0.28 H new ATOM 0 HA ASN A 14 1.390 -4.076 -10.379 1.00 0.33 H new ATOM 0 HB2 ASN A 14 2.901 -2.430 -12.444 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.706 -3.666 -12.786 1.00 0.46 H new ATOM 0 HD21 ASN A 14 1.647 -0.755 -13.410 1.00 2.08 H new ATOM 0 HD22 ASN A 14 0.153 -0.176 -12.666 1.00 2.08 H new ATOM 252 N THR A 15 4.349 -4.543 -9.928 1.00 0.33 N ATOM 253 CA THR A 15 5.458 -5.484 -9.908 1.00 0.36 C ATOM 254 C THR A 15 5.601 -6.079 -8.507 1.00 0.33 C ATOM 255 O THR A 15 5.136 -5.486 -7.532 1.00 0.36 O ATOM 256 CB THR A 15 6.782 -4.801 -10.342 1.00 0.42 C ATOM 257 OG1 THR A 15 7.849 -5.756 -10.398 1.00 0.48 O ATOM 258 CG2 THR A 15 7.158 -3.671 -9.390 1.00 0.43 C ATOM 0 H THR A 15 4.364 -3.864 -9.167 1.00 0.33 H new ATOM 0 HA THR A 15 5.247 -6.282 -10.620 1.00 0.36 H new ATOM 0 HB THR A 15 6.624 -4.381 -11.335 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.675 -5.308 -10.675 1.00 0.48 H new ATOM 0 HG21 THR A 15 8.090 -3.212 -9.720 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.366 -2.922 -9.384 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.287 -4.070 -8.384 1.00 0.43 H new ATOM 266 N ARG A 16 6.209 -7.255 -8.402 1.00 0.32 N ATOM 267 CA ARG A 16 6.394 -7.886 -7.103 1.00 0.31 C ATOM 268 C ARG A 16 7.562 -7.259 -6.361 1.00 0.33 C ATOM 269 O ARG A 16 7.434 -6.881 -5.196 1.00 0.45 O ATOM 270 CB ARG A 16 6.607 -9.396 -7.234 1.00 0.36 C ATOM 271 CG ARG A 16 5.361 -10.144 -7.660 1.00 0.45 C ATOM 272 CD ARG A 16 4.236 -9.914 -6.666 1.00 0.38 C ATOM 273 NE ARG A 16 4.483 -10.547 -5.371 1.00 0.32 N ATOM 274 CZ ARG A 16 4.374 -9.918 -4.198 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.100 -8.619 -4.157 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.543 -10.589 -3.065 1.00 0.51 N ATOM 0 H ARG A 16 6.578 -7.785 -9.192 1.00 0.32 H new ATOM 0 HA ARG A 16 5.481 -7.722 -6.531 1.00 0.31 H new ATOM 0 HB2 ARG A 16 7.399 -9.582 -7.959 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.950 -9.791 -6.278 1.00 0.36 H new ATOM 0 HG2 ARG A 16 5.052 -9.812 -8.651 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.577 -11.210 -7.733 1.00 0.45 H new ATOM 0 HD2 ARG A 16 4.100 -8.842 -6.521 1.00 0.38 H new ATOM 0 HD3 ARG A 16 3.306 -10.300 -7.082 1.00 0.38 H new ATOM 0 HE ARG A 16 4.755 -11.530 -5.363 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.972 -8.097 -5.024 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.018 -8.143 -3.259 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.756 -11.586 -3.090 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.460 -10.107 -2.170 1.00 0.51 H new ATOM 290 N ASP A 17 8.697 -7.150 -7.029 1.00 0.37 N ATOM 291 CA ASP A 17 9.861 -6.548 -6.429 1.00 0.42 C ATOM 292 C ASP A 17 9.938 -5.065 -6.775 1.00 0.36 C ATOM 293 O ASP A 17 10.660 -4.649 -7.681 1.00 0.46 O ATOM 294 CB ASP A 17 11.136 -7.291 -6.848 1.00 0.60 C ATOM 295 CG ASP A 17 11.292 -7.449 -8.349 1.00 1.16 C ATOM 296 OD1 ASP A 17 10.478 -8.173 -8.962 1.00 1.94 O ATOM 297 OD2 ASP A 17 12.253 -6.883 -8.914 1.00 1.40 O ATOM 0 H ASP A 17 8.831 -7.473 -7.987 1.00 0.37 H new ATOM 0 HA ASP A 17 9.773 -6.631 -5.346 1.00 0.42 H new ATOM 0 HB2 ASP A 17 12.001 -6.756 -6.457 1.00 0.60 H new ATOM 0 HB3 ASP A 17 11.137 -8.279 -6.387 1.00 0.60 H new ATOM 302 N VAL A 18 9.147 -4.275 -6.059 1.00 0.31 N ATOM 303 CA VAL A 18 9.180 -2.829 -6.199 1.00 0.29 C ATOM 304 C VAL A 18 10.521 -2.295 -5.708 1.00 0.29 C ATOM 305 O VAL A 18 10.981 -2.664 -4.629 1.00 0.35 O ATOM 306 CB VAL A 18 8.017 -2.144 -5.427 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.869 -2.695 -4.017 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.232 -0.642 -5.370 1.00 0.58 C ATOM 0 H VAL A 18 8.473 -4.616 -5.373 1.00 0.31 H new ATOM 0 HA VAL A 18 9.054 -2.593 -7.256 1.00 0.29 H new ATOM 0 HB VAL A 18 7.097 -2.360 -5.970 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.045 -2.189 -3.513 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.664 -3.764 -4.064 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.792 -2.527 -3.462 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.410 -0.177 -4.826 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.171 -0.428 -4.860 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.270 -0.241 -6.383 1.00 0.58 H new ATOM 318 N ASP A 19 11.160 -1.448 -6.507 1.00 0.34 N ATOM 319 CA ASP A 19 12.458 -0.898 -6.133 1.00 0.41 C ATOM 320 C ASP A 19 12.288 0.147 -5.042 1.00 0.39 C ATOM 321 O ASP A 19 12.184 1.343 -5.322 1.00 0.46 O ATOM 322 CB ASP A 19 13.180 -0.288 -7.339 1.00 0.58 C ATOM 323 CG ASP A 19 14.651 -0.018 -7.062 1.00 1.11 C ATOM 324 OD1 ASP A 19 14.965 0.753 -6.131 1.00 1.91 O ATOM 325 OD2 ASP A 19 15.506 -0.585 -7.777 1.00 1.28 O ATOM 0 H ASP A 19 10.805 -1.130 -7.409 1.00 0.34 H new ATOM 0 HA ASP A 19 13.071 -1.717 -5.756 1.00 0.41 H new ATOM 0 HB2 ASP A 19 13.092 -0.963 -8.191 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.689 0.644 -7.619 1.00 0.58 H new ATOM 330 N CYS A 20 12.205 -0.326 -3.809 1.00 0.38 N ATOM 331 CA CYS A 20 12.034 0.532 -2.651 1.00 0.40 C ATOM 332 C CYS A 20 13.088 1.634 -2.616 1.00 0.38 C ATOM 333 O CYS A 20 12.763 2.807 -2.475 1.00 0.39 O ATOM 334 CB CYS A 20 12.115 -0.298 -1.373 1.00 0.51 C ATOM 335 SG CYS A 20 11.221 -1.885 -1.464 1.00 0.93 S ATOM 0 H CYS A 20 12.255 -1.320 -3.584 1.00 0.38 H new ATOM 0 HA CYS A 20 11.053 1.002 -2.722 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.163 -0.495 -1.145 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.713 0.287 -0.546 1.00 0.51 H new ATOM 340 N ASP A 21 14.346 1.247 -2.775 1.00 0.47 N ATOM 341 CA ASP A 21 15.466 2.176 -2.632 1.00 0.59 C ATOM 342 C ASP A 21 15.334 3.381 -3.560 1.00 0.53 C ATOM 343 O ASP A 21 15.628 4.509 -3.163 1.00 0.64 O ATOM 344 CB ASP A 21 16.793 1.466 -2.893 1.00 0.85 C ATOM 345 CG ASP A 21 17.114 0.429 -1.837 1.00 1.36 C ATOM 346 OD1 ASP A 21 17.276 0.803 -0.661 1.00 1.66 O ATOM 347 OD2 ASP A 21 17.220 -0.765 -2.184 1.00 2.26 O ATOM 0 H ASP A 21 14.621 0.292 -3.004 1.00 0.47 H new ATOM 0 HA ASP A 21 15.447 2.540 -1.605 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.758 0.985 -3.871 1.00 0.85 H new ATOM 0 HB3 ASP A 21 17.595 2.203 -2.929 1.00 0.85 H new ATOM 352 N ASN A 22 14.896 3.147 -4.786 1.00 0.50 N ATOM 353 CA ASN A 22 14.731 4.227 -5.753 1.00 0.49 C ATOM 354 C ASN A 22 13.389 4.911 -5.587 1.00 0.42 C ATOM 355 O ASN A 22 13.314 6.124 -5.411 1.00 0.43 O ATOM 356 CB ASN A 22 14.851 3.694 -7.183 1.00 0.59 C ATOM 357 CG ASN A 22 14.740 4.787 -8.231 1.00 0.69 C ATOM 358 OD1 ASN A 22 15.732 5.417 -8.592 1.00 1.07 O ATOM 359 ND2 ASN A 22 13.535 5.007 -8.744 1.00 1.14 N ATOM 0 H ASN A 22 14.648 2.222 -5.138 1.00 0.50 H new ATOM 0 HA ASN A 22 15.522 4.953 -5.568 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.808 3.184 -7.297 1.00 0.59 H new ATOM 0 HB3 ASN A 22 14.072 2.951 -7.355 1.00 0.59 H new ATOM 0 HD21 ASN A 22 13.409 5.719 -9.463 1.00 1.14 H new ATOM 0 HD22 ASN A 22 12.735 4.464 -8.419 1.00 1.14 H new ATOM 366 N ILE A 23 12.334 4.120 -5.636 1.00 0.40 N ATOM 367 CA ILE A 23 10.977 4.646 -5.620 1.00 0.38 C ATOM 368 C ILE A 23 10.680 5.414 -4.330 1.00 0.33 C ATOM 369 O ILE A 23 10.036 6.459 -4.366 1.00 0.34 O ATOM 370 CB ILE A 23 9.941 3.518 -5.842 1.00 0.39 C ATOM 371 CG1 ILE A 23 10.120 2.935 -7.248 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.519 4.030 -5.652 1.00 0.40 C ATOM 373 CD1 ILE A 23 9.135 1.840 -7.593 1.00 0.48 C ATOM 0 H ILE A 23 12.389 3.103 -5.688 1.00 0.40 H new ATOM 0 HA ILE A 23 10.894 5.352 -6.446 1.00 0.38 H new ATOM 0 HB ILE A 23 10.109 2.737 -5.101 1.00 0.39 H new ATOM 0 HG12 ILE A 23 10.024 3.739 -7.978 1.00 0.45 H new ATOM 0 HG13 ILE A 23 11.132 2.541 -7.340 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.814 3.215 -5.815 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.403 4.414 -4.638 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.321 4.829 -6.367 1.00 0.40 H new ATOM 0 HD11 ILE A 23 9.329 1.481 -8.604 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.245 1.016 -6.888 1.00 0.48 H new ATOM 0 HD13 ILE A 23 8.120 2.233 -7.536 1.00 0.48 H new ATOM 385 N LEU A 24 11.185 4.929 -3.197 1.00 0.30 N ATOM 386 CA LEU A 24 10.930 5.591 -1.918 1.00 0.29 C ATOM 387 C LEU A 24 11.836 6.808 -1.742 1.00 0.32 C ATOM 388 O LEU A 24 11.638 7.610 -0.828 1.00 0.33 O ATOM 389 CB LEU A 24 11.133 4.637 -0.735 1.00 0.31 C ATOM 390 CG LEU A 24 10.385 3.303 -0.812 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.607 2.497 0.452 1.00 1.03 C ATOM 392 CD2 LEU A 24 8.905 3.514 -1.032 1.00 1.01 C ATOM 0 H LEU A 24 11.765 4.092 -3.137 1.00 0.30 H new ATOM 0 HA LEU A 24 9.889 5.913 -1.932 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.199 4.428 -0.641 1.00 0.31 H new ATOM 0 HB3 LEU A 24 10.827 5.150 0.177 1.00 0.31 H new ATOM 0 HG LEU A 24 10.782 2.751 -1.664 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.068 1.552 0.380 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.672 2.299 0.575 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.241 3.059 1.311 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.403 2.548 -1.082 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.493 4.094 -0.206 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.749 4.052 -1.967 1.00 1.01 H new ATOM 404 N SER A 25 12.813 6.949 -2.630 1.00 0.36 N ATOM 405 CA SER A 25 13.762 8.053 -2.563 1.00 0.41 C ATOM 406 C SER A 25 13.141 9.320 -3.144 1.00 0.42 C ATOM 407 O SER A 25 13.716 10.407 -3.061 1.00 0.49 O ATOM 408 CB SER A 25 15.051 7.682 -3.314 1.00 0.50 C ATOM 409 OG SER A 25 16.023 8.719 -3.259 1.00 1.28 O ATOM 0 H SER A 25 12.969 6.309 -3.409 1.00 0.36 H new ATOM 0 HA SER A 25 14.012 8.245 -1.520 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.469 6.771 -2.886 1.00 0.50 H new ATOM 0 HB3 SER A 25 14.813 7.465 -4.355 1.00 0.50 H new ATOM 0 HG SER A 25 15.583 9.570 -3.052 1.00 1.28 H new ATOM 415 N THR A 26 11.958 9.175 -3.727 1.00 0.41 N ATOM 416 CA THR A 26 11.241 10.306 -4.293 1.00 0.46 C ATOM 417 C THR A 26 10.628 11.159 -3.186 1.00 0.45 C ATOM 418 O THR A 26 10.601 10.752 -2.024 1.00 0.45 O ATOM 419 CB THR A 26 10.123 9.838 -5.239 1.00 0.49 C ATOM 420 OG1 THR A 26 9.217 8.980 -4.534 1.00 0.44 O ATOM 421 CG2 THR A 26 10.700 9.103 -6.439 1.00 0.56 C ATOM 0 H THR A 26 11.475 8.281 -3.819 1.00 0.41 H new ATOM 0 HA THR A 26 11.960 10.898 -4.858 1.00 0.46 H new ATOM 0 HB THR A 26 9.587 10.716 -5.598 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.513 8.050 -4.620 1.00 0.44 H new ATOM 0 HG21 THR A 26 9.889 8.782 -7.093 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.367 9.769 -6.987 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.258 8.231 -6.098 1.00 0.56 H new ATOM 429 N ASN A 27 10.111 12.325 -3.549 1.00 0.49 N ATOM 430 CA ASN A 27 9.500 13.223 -2.575 1.00 0.52 C ATOM 431 C ASN A 27 8.105 12.717 -2.210 1.00 0.52 C ATOM 432 O ASN A 27 7.461 13.212 -1.281 1.00 0.67 O ATOM 433 CB ASN A 27 9.428 14.645 -3.142 1.00 0.61 C ATOM 434 CG ASN A 27 9.117 15.686 -2.081 1.00 0.87 C ATOM 435 OD1 ASN A 27 7.957 16.016 -1.831 1.00 1.46 O ATOM 436 ND2 ASN A 27 10.156 16.220 -1.459 1.00 1.53 N ATOM 0 H ASN A 27 10.102 12.672 -4.508 1.00 0.49 H new ATOM 0 HA ASN A 27 10.111 13.244 -1.673 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.378 14.890 -3.618 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.663 14.684 -3.918 1.00 0.61 H new ATOM 0 HD21 ASN A 27 10.011 16.932 -0.743 1.00 1.53 H new ATOM 0 HD22 ASN A 27 11.102 15.919 -1.695 1.00 1.53 H new ATOM 443 N LEU A 28 7.655 11.712 -2.950 1.00 0.48 N ATOM 444 CA LEU A 28 6.351 11.105 -2.732 1.00 0.47 C ATOM 445 C LEU A 28 6.365 10.254 -1.465 1.00 0.45 C ATOM 446 O LEU A 28 5.386 10.204 -0.722 1.00 0.52 O ATOM 447 CB LEU A 28 5.975 10.246 -3.942 1.00 0.47 C ATOM 448 CG LEU A 28 4.611 9.557 -3.870 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.493 10.587 -3.834 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.439 8.616 -5.052 1.00 0.51 C ATOM 0 H LEU A 28 8.184 11.296 -3.717 1.00 0.48 H new ATOM 0 HA LEU A 28 5.609 11.894 -2.608 1.00 0.47 H new ATOM 0 HB2 LEU A 28 5.997 10.875 -4.832 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.741 9.482 -4.073 1.00 0.47 H new ATOM 0 HG LEU A 28 4.561 8.973 -2.951 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.531 10.078 -3.783 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.613 11.224 -2.958 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.532 11.198 -4.735 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.465 8.130 -4.992 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.505 9.183 -5.981 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.223 7.859 -5.032 1.00 0.51 H new ATOM 462 N PHE A 29 7.487 9.592 -1.221 1.00 0.42 N ATOM 463 CA PHE A 29 7.639 8.762 -0.031 1.00 0.40 C ATOM 464 C PHE A 29 8.567 9.434 0.967 1.00 0.42 C ATOM 465 O PHE A 29 8.376 9.316 2.181 1.00 0.48 O ATOM 466 CB PHE A 29 8.173 7.383 -0.408 1.00 0.36 C ATOM 467 CG PHE A 29 7.294 6.665 -1.386 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.227 5.905 -0.946 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.539 6.745 -2.744 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.418 5.238 -1.841 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.733 6.080 -3.645 1.00 0.39 C ATOM 472 CZ PHE A 29 5.660 5.347 -3.200 1.00 0.42 C ATOM 0 H PHE A 29 8.305 9.612 -1.829 1.00 0.42 H new ATOM 0 HA PHE A 29 6.660 8.639 0.433 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.171 7.489 -0.834 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.274 6.779 0.494 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.024 5.833 0.112 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.370 7.334 -3.103 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.598 4.633 -1.483 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.946 6.136 -4.702 1.00 0.39 H new ATOM 0 HZ PHE A 29 5.007 4.857 -3.908 1.00 0.42 H new ATOM 482 N HIS A 30 9.573 10.128 0.439 1.00 0.43 N ATOM 483 CA HIS A 30 10.483 10.939 1.243 1.00 0.52 C ATOM 484 C HIS A 30 11.294 10.070 2.203 1.00 0.45 C ATOM 485 O HIS A 30 11.677 10.514 3.286 1.00 0.48 O ATOM 486 CB HIS A 30 9.693 12.004 2.011 1.00 0.70 C ATOM 487 CG HIS A 30 10.540 13.131 2.505 1.00 1.23 C ATOM 488 ND1 HIS A 30 10.863 13.310 3.833 1.00 1.78 N ATOM 489 CD2 HIS A 30 11.125 14.150 1.835 1.00 2.07 C ATOM 490 CE1 HIS A 30 11.610 14.390 3.958 1.00 2.74 C ATOM 491 NE2 HIS A 30 11.783 14.918 2.762 1.00 2.97 N ATOM 0 H HIS A 30 9.780 10.143 -0.560 1.00 0.43 H new ATOM 0 HA HIS A 30 11.186 11.435 0.574 1.00 0.52 H new ATOM 0 HB2 HIS A 30 8.912 12.403 1.364 1.00 0.70 H new ATOM 0 HB3 HIS A 30 9.195 11.535 2.859 1.00 0.70 H new ATOM 0 HD2 HIS A 30 11.082 14.326 0.770 1.00 2.07 H new ATOM 0 HE1 HIS A 30 12.012 14.776 4.883 1.00 2.74 H new ATOM 0 HE2 HIS A 30 12.320 15.761 2.559 1.00 2.97 H new ATOM 500 N CYS A 31 11.581 8.844 1.777 1.00 0.44 N ATOM 501 CA CYS A 31 12.340 7.893 2.583 1.00 0.45 C ATOM 502 C CYS A 31 11.712 7.695 3.967 1.00 0.40 C ATOM 503 O CYS A 31 12.317 8.019 4.993 1.00 0.47 O ATOM 504 CB CYS A 31 13.793 8.353 2.720 1.00 0.62 C ATOM 505 SG CYS A 31 14.637 8.622 1.125 1.00 1.10 S ATOM 0 H CYS A 31 11.295 8.482 0.867 1.00 0.44 H new ATOM 0 HA CYS A 31 12.317 6.932 2.069 1.00 0.45 H new ATOM 0 HB2 CYS A 31 13.818 9.279 3.294 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.347 7.609 3.292 1.00 0.62 H new ATOM 510 N LYS A 32 10.489 7.174 3.985 1.00 0.39 N ATOM 511 CA LYS A 32 9.790 6.897 5.234 1.00 0.43 C ATOM 512 C LYS A 32 10.344 5.632 5.892 1.00 0.45 C ATOM 513 O LYS A 32 11.166 4.932 5.301 1.00 0.55 O ATOM 514 CB LYS A 32 8.278 6.788 4.983 1.00 0.50 C ATOM 515 CG LYS A 32 7.845 5.564 4.184 1.00 0.53 C ATOM 516 CD LYS A 32 6.460 5.755 3.573 1.00 0.90 C ATOM 517 CE LYS A 32 5.438 6.227 4.599 1.00 2.05 C ATOM 518 NZ LYS A 32 5.199 5.233 5.679 1.00 2.72 N ATOM 0 H LYS A 32 9.961 6.935 3.146 1.00 0.39 H new ATOM 0 HA LYS A 32 9.956 7.725 5.924 1.00 0.43 H new ATOM 0 HB2 LYS A 32 7.765 6.776 5.945 1.00 0.50 H new ATOM 0 HB3 LYS A 32 7.947 7.683 4.456 1.00 0.50 H new ATOM 0 HG2 LYS A 32 8.569 5.370 3.393 1.00 0.53 H new ATOM 0 HG3 LYS A 32 7.840 4.688 4.833 1.00 0.53 H new ATOM 0 HD2 LYS A 32 6.520 6.481 2.762 1.00 0.90 H new ATOM 0 HD3 LYS A 32 6.125 4.815 3.135 1.00 0.90 H new ATOM 0 HE2 LYS A 32 5.781 7.162 5.042 1.00 2.05 H new ATOM 0 HE3 LYS A 32 4.496 6.441 4.094 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 4.183 5.019 5.735 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 5.726 4.361 5.471 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 5.521 5.623 6.588 1.00 2.72 H new ATOM 532 N ASP A 33 9.899 5.356 7.112 1.00 0.49 N ATOM 533 CA ASP A 33 10.385 4.207 7.879 1.00 0.54 C ATOM 534 C ASP A 33 10.116 2.899 7.139 1.00 0.48 C ATOM 535 O ASP A 33 11.021 2.086 6.946 1.00 0.51 O ATOM 536 CB ASP A 33 9.716 4.194 9.254 1.00 0.66 C ATOM 537 CG ASP A 33 10.238 3.101 10.162 1.00 1.28 C ATOM 538 OD1 ASP A 33 11.407 3.184 10.582 1.00 1.57 O ATOM 539 OD2 ASP A 33 9.491 2.138 10.435 1.00 2.06 O ATOM 0 H ASP A 33 9.197 5.915 7.597 1.00 0.49 H new ATOM 0 HA ASP A 33 11.464 4.299 8.004 1.00 0.54 H new ATOM 0 HB2 ASP A 33 9.869 5.160 9.734 1.00 0.66 H new ATOM 0 HB3 ASP A 33 8.641 4.069 9.126 1.00 0.66 H new ATOM 544 N LYS A 34 8.874 2.702 6.719 1.00 0.44 N ATOM 545 CA LYS A 34 8.535 1.557 5.887 1.00 0.41 C ATOM 546 C LYS A 34 7.277 1.839 5.085 1.00 0.38 C ATOM 547 O LYS A 34 6.520 2.759 5.400 1.00 0.43 O ATOM 548 CB LYS A 34 8.348 0.272 6.709 1.00 0.48 C ATOM 549 CG LYS A 34 7.047 0.192 7.499 1.00 0.95 C ATOM 550 CD LYS A 34 7.188 0.787 8.886 1.00 1.27 C ATOM 551 CE LYS A 34 5.940 0.547 9.719 1.00 1.96 C ATOM 552 NZ LYS A 34 6.115 0.993 11.124 1.00 2.60 N ATOM 0 H LYS A 34 8.090 3.316 6.939 1.00 0.44 H new ATOM 0 HA LYS A 34 9.374 1.397 5.210 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.398 -0.583 6.034 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.183 0.179 7.404 1.00 0.48 H new ATOM 0 HG2 LYS A 34 6.261 0.718 6.957 1.00 0.95 H new ATOM 0 HG3 LYS A 34 6.736 -0.849 7.581 1.00 0.95 H new ATOM 0 HD2 LYS A 34 8.052 0.348 9.386 1.00 1.27 H new ATOM 0 HD3 LYS A 34 7.375 1.858 8.807 1.00 1.27 H new ATOM 0 HE2 LYS A 34 5.099 1.077 9.273 1.00 1.96 H new ATOM 0 HE3 LYS A 34 5.692 -0.514 9.704 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 5.241 0.811 11.657 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 6.901 0.469 11.559 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 6.326 2.011 11.141 1.00 2.60 H new ATOM 566 N ASN A 35 7.064 1.046 4.050 1.00 0.37 N ATOM 567 CA ASN A 35 5.882 1.174 3.214 1.00 0.36 C ATOM 568 C ASN A 35 5.527 -0.168 2.595 1.00 0.34 C ATOM 569 O ASN A 35 6.390 -0.842 2.032 1.00 0.38 O ATOM 570 CB ASN A 35 6.107 2.188 2.091 1.00 0.36 C ATOM 571 CG ASN A 35 4.824 2.497 1.344 1.00 0.38 C ATOM 572 OD1 ASN A 35 3.738 2.511 1.926 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.936 2.728 0.050 1.00 0.35 N ATOM 0 H ASN A 35 7.700 0.300 3.766 1.00 0.37 H new ATOM 0 HA ASN A 35 5.067 1.520 3.849 1.00 0.36 H new ATOM 0 HB2 ASN A 35 6.515 3.108 2.509 1.00 0.36 H new ATOM 0 HB3 ASN A 35 6.849 1.799 1.393 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.105 2.927 -0.506 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.854 2.707 -0.394 1.00 0.35 H new ATOM 580 N THR A 36 4.268 -0.554 2.702 1.00 0.32 N ATOM 581 CA THR A 36 3.796 -1.782 2.088 1.00 0.30 C ATOM 582 C THR A 36 3.075 -1.476 0.778 1.00 0.26 C ATOM 583 O THR A 36 2.087 -0.730 0.757 1.00 0.28 O ATOM 584 CB THR A 36 2.846 -2.549 3.029 1.00 0.36 C ATOM 585 OG1 THR A 36 3.483 -2.764 4.293 1.00 0.45 O ATOM 586 CG2 THR A 36 2.444 -3.890 2.430 1.00 0.37 C ATOM 0 H THR A 36 3.553 -0.033 3.210 1.00 0.32 H new ATOM 0 HA THR A 36 4.666 -2.407 1.888 1.00 0.30 H new ATOM 0 HB THR A 36 1.947 -1.948 3.165 1.00 0.36 H new ATOM 0 HG1 THR A 36 3.915 -3.643 4.296 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.774 -4.409 3.116 1.00 0.37 H new ATOM 0 HG22 THR A 36 1.935 -3.726 1.480 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.335 -4.496 2.265 1.00 0.37 H new ATOM 594 N PHE A 37 3.589 -2.026 -0.311 1.00 0.21 N ATOM 595 CA PHE A 37 2.959 -1.876 -1.612 1.00 0.18 C ATOM 596 C PHE A 37 2.062 -3.069 -1.891 1.00 0.18 C ATOM 597 O PHE A 37 2.339 -4.186 -1.454 1.00 0.21 O ATOM 598 CB PHE A 37 4.003 -1.756 -2.724 1.00 0.17 C ATOM 599 CG PHE A 37 4.877 -0.537 -2.636 1.00 0.17 C ATOM 600 CD1 PHE A 37 5.941 -0.486 -1.742 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.618 0.570 -3.425 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.720 0.645 -1.643 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.402 1.698 -3.332 1.00 0.20 C ATOM 604 CZ PHE A 37 6.529 1.684 -2.508 1.00 0.20 C ATOM 0 H PHE A 37 4.444 -2.582 -0.319 1.00 0.21 H new ATOM 0 HA PHE A 37 2.366 -0.961 -1.595 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.637 -2.643 -2.706 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.490 -1.750 -3.686 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.158 -1.341 -1.120 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.792 0.549 -4.121 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.482 0.710 -0.881 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.147 2.586 -3.892 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.246 2.491 -2.555 1.00 0.20 H new ATOM 614 N ILE A 38 0.991 -2.822 -2.614 1.00 0.18 N ATOM 615 CA ILE A 38 0.035 -3.852 -2.955 1.00 0.17 C ATOM 616 C ILE A 38 0.179 -4.235 -4.419 1.00 0.17 C ATOM 617 O ILE A 38 -0.039 -3.410 -5.309 1.00 0.18 O ATOM 618 CB ILE A 38 -1.406 -3.366 -2.692 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.528 -2.833 -1.260 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.403 -4.492 -2.933 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.779 -2.017 -1.016 1.00 0.22 C ATOM 0 H ILE A 38 0.759 -1.900 -2.982 1.00 0.18 H new ATOM 0 HA ILE A 38 0.235 -4.722 -2.330 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.635 -2.557 -3.386 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.513 -3.674 -0.567 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.656 -2.219 -1.035 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.413 -4.130 -2.742 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.327 -4.830 -3.967 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.183 -5.323 -2.263 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.794 -1.675 0.019 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.787 -1.155 -1.683 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.658 -2.632 -1.208 1.00 0.22 H new ATOM 633 N TYR A 39 0.577 -5.473 -4.667 1.00 0.16 N ATOM 634 CA TYR A 39 0.652 -5.980 -6.023 1.00 0.17 C ATOM 635 C TYR A 39 -0.739 -6.353 -6.497 1.00 0.18 C ATOM 636 O TYR A 39 -1.232 -7.454 -6.235 1.00 0.18 O ATOM 637 CB TYR A 39 1.585 -7.187 -6.129 1.00 0.20 C ATOM 638 CG TYR A 39 1.607 -7.795 -7.514 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.221 -7.139 -8.567 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.999 -9.019 -7.767 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.231 -7.682 -9.835 1.00 0.31 C ATOM 642 CE2 TYR A 39 1.009 -9.570 -9.032 1.00 0.34 C ATOM 643 CZ TYR A 39 1.625 -8.896 -10.064 1.00 0.35 C ATOM 644 OH TYR A 39 1.635 -9.436 -11.332 1.00 0.40 O ATOM 0 H TYR A 39 0.852 -6.142 -3.947 1.00 0.16 H new ATOM 0 HA TYR A 39 1.063 -5.195 -6.657 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.595 -6.884 -5.855 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.273 -7.945 -5.410 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.700 -6.187 -8.393 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.511 -9.547 -6.961 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.713 -7.156 -10.646 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.537 -10.524 -9.212 1.00 0.34 H new ATOM 0 HH TYR A 39 1.166 -10.297 -11.325 1.00 0.40 H new ATOM 654 N SER A 40 -1.366 -5.408 -7.164 1.00 0.23 N ATOM 655 CA SER A 40 -2.710 -5.566 -7.668 1.00 0.26 C ATOM 656 C SER A 40 -3.071 -4.302 -8.429 1.00 0.29 C ATOM 657 O SER A 40 -2.227 -3.417 -8.597 1.00 0.50 O ATOM 658 CB SER A 40 -3.694 -5.810 -6.509 1.00 0.25 C ATOM 659 OG SER A 40 -4.992 -6.144 -6.985 1.00 0.93 O ATOM 0 H SER A 40 -0.951 -4.500 -7.373 1.00 0.23 H new ATOM 0 HA SER A 40 -2.770 -6.430 -8.330 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.320 -6.615 -5.877 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.753 -4.917 -5.887 1.00 0.25 H new ATOM 0 HG SER A 40 -5.591 -6.294 -6.224 1.00 0.93 H new ATOM 665 N ARG A 41 -4.298 -4.206 -8.902 1.00 0.25 N ATOM 666 CA ARG A 41 -4.735 -2.999 -9.566 1.00 0.27 C ATOM 667 C ARG A 41 -5.554 -2.144 -8.620 1.00 0.22 C ATOM 668 O ARG A 41 -6.156 -2.645 -7.672 1.00 0.23 O ATOM 669 CB ARG A 41 -5.522 -3.311 -10.839 1.00 0.33 C ATOM 670 CG ARG A 41 -4.635 -3.745 -11.988 1.00 0.54 C ATOM 671 CD ARG A 41 -3.623 -2.661 -12.311 1.00 1.08 C ATOM 672 NE ARG A 41 -2.733 -3.023 -13.407 1.00 1.30 N ATOM 673 CZ ARG A 41 -1.990 -2.141 -14.067 1.00 2.21 C ATOM 674 NH1 ARG A 41 -2.050 -0.850 -13.758 1.00 2.92 N ATOM 675 NH2 ARG A 41 -1.182 -2.549 -15.036 1.00 2.66 N ATOM 0 H ARG A 41 -5.002 -4.942 -8.839 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.848 -2.439 -9.862 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.247 -4.098 -10.629 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -6.087 -2.428 -11.136 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.118 -4.669 -11.728 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -5.244 -3.957 -12.867 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -4.151 -1.743 -12.567 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -3.029 -2.449 -11.422 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.678 -4.004 -13.681 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.668 -0.532 -13.011 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.478 -0.177 -14.267 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -1.131 -3.539 -15.274 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -0.611 -1.872 -15.543 1.00 2.66 H new ATOM 689 N PRO A 42 -5.568 -0.838 -8.869 1.00 0.22 N ATOM 690 CA PRO A 42 -6.301 0.126 -8.051 1.00 0.21 C ATOM 691 C PRO A 42 -7.797 -0.171 -7.998 1.00 0.20 C ATOM 692 O PRO A 42 -8.442 0.057 -6.982 1.00 0.23 O ATOM 693 CB PRO A 42 -6.043 1.466 -8.754 1.00 0.24 C ATOM 694 CG PRO A 42 -5.554 1.114 -10.116 1.00 0.25 C ATOM 695 CD PRO A 42 -4.857 -0.200 -9.980 1.00 0.30 C ATOM 0 HA PRO A 42 -5.973 0.106 -7.012 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.953 2.063 -8.806 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.304 2.057 -8.213 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.382 1.045 -10.821 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.875 1.878 -10.496 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.925 -0.789 -10.894 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.797 -0.073 -9.761 1.00 0.30 H new ATOM 703 N GLU A 43 -8.337 -0.724 -9.074 1.00 0.21 N ATOM 704 CA GLU A 43 -9.769 -0.937 -9.179 1.00 0.25 C ATOM 705 C GLU A 43 -10.259 -2.001 -8.187 1.00 0.23 C ATOM 706 O GLU A 43 -11.144 -1.727 -7.378 1.00 0.24 O ATOM 707 CB GLU A 43 -10.132 -1.313 -10.608 1.00 0.36 C ATOM 708 CG GLU A 43 -9.849 -0.212 -11.612 1.00 0.48 C ATOM 709 CD GLU A 43 -10.545 1.092 -11.274 1.00 1.60 C ATOM 710 OE1 GLU A 43 -11.754 1.213 -11.561 1.00 1.99 O ATOM 711 OE2 GLU A 43 -9.878 2.012 -10.745 1.00 2.36 O ATOM 0 H GLU A 43 -7.803 -1.033 -9.886 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.272 -0.005 -8.920 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.576 -2.206 -10.893 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -11.191 -1.570 -10.650 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -8.774 -0.041 -11.662 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.166 -0.540 -12.602 1.00 0.48 H new ATOM 718 N PRO A 44 -9.690 -3.227 -8.220 1.00 0.24 N ATOM 719 CA PRO A 44 -10.056 -4.296 -7.282 1.00 0.26 C ATOM 720 C PRO A 44 -9.744 -3.938 -5.827 1.00 0.24 C ATOM 721 O PRO A 44 -10.293 -4.535 -4.902 1.00 0.27 O ATOM 722 CB PRO A 44 -9.207 -5.491 -7.736 1.00 0.30 C ATOM 723 CG PRO A 44 -8.101 -4.901 -8.535 1.00 0.36 C ATOM 724 CD PRO A 44 -8.679 -3.682 -9.185 1.00 0.27 C ATOM 0 HA PRO A 44 -11.128 -4.491 -7.299 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.822 -6.048 -6.882 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.795 -6.188 -8.332 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.254 -4.642 -7.900 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.736 -5.607 -9.281 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.918 -2.921 -9.359 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -9.124 -3.915 -10.152 1.00 0.27 H new ATOM 732 N VAL A 45 -8.868 -2.958 -5.630 1.00 0.20 N ATOM 733 CA VAL A 45 -8.516 -2.513 -4.284 1.00 0.19 C ATOM 734 C VAL A 45 -9.474 -1.418 -3.821 1.00 0.17 C ATOM 735 O VAL A 45 -9.858 -1.361 -2.654 1.00 0.18 O ATOM 736 CB VAL A 45 -7.058 -1.998 -4.214 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.729 -1.457 -2.827 1.00 0.20 C ATOM 738 CG2 VAL A 45 -6.084 -3.104 -4.594 1.00 0.23 C ATOM 0 H VAL A 45 -8.390 -2.458 -6.380 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.601 -3.374 -3.622 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.958 -1.180 -4.928 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.698 -1.103 -2.810 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.400 -0.632 -2.590 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.853 -2.249 -2.089 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -5.064 -2.725 -4.540 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.197 -3.941 -3.905 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.293 -3.439 -5.610 1.00 0.23 H new ATOM 748 N LYS A 46 -9.880 -0.561 -4.746 1.00 0.15 N ATOM 749 CA LYS A 46 -10.859 0.473 -4.449 1.00 0.15 C ATOM 750 C LYS A 46 -12.228 -0.165 -4.228 1.00 0.17 C ATOM 751 O LYS A 46 -13.059 0.355 -3.481 1.00 0.20 O ATOM 752 CB LYS A 46 -10.921 1.489 -5.591 1.00 0.17 C ATOM 753 CG LYS A 46 -11.748 2.722 -5.275 1.00 0.20 C ATOM 754 CD LYS A 46 -11.711 3.717 -6.419 1.00 0.27 C ATOM 755 CE LYS A 46 -12.461 4.987 -6.068 1.00 0.37 C ATOM 756 NZ LYS A 46 -13.903 4.728 -5.821 1.00 1.36 N ATOM 0 H LYS A 46 -9.546 -0.562 -5.710 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.561 0.997 -3.541 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.907 1.799 -5.844 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.335 1.003 -6.474 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.779 2.430 -5.077 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.370 3.193 -4.368 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.676 3.958 -6.661 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.150 3.267 -7.310 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -12.016 5.438 -5.181 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.355 5.707 -6.879 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -14.446 5.600 -5.986 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -14.238 3.984 -6.466 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -14.037 4.418 -4.837 1.00 1.36 H new ATOM 770 N ALA A 47 -12.432 -1.312 -4.873 1.00 0.18 N ATOM 771 CA ALA A 47 -13.668 -2.076 -4.740 1.00 0.22 C ATOM 772 C ALA A 47 -13.823 -2.642 -3.332 1.00 0.22 C ATOM 773 O ALA A 47 -14.928 -2.989 -2.917 1.00 0.27 O ATOM 774 CB ALA A 47 -13.711 -3.198 -5.768 1.00 0.26 C ATOM 0 H ALA A 47 -11.748 -1.735 -5.500 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.501 -1.397 -4.922 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.639 -3.759 -5.656 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.662 -2.774 -6.771 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.863 -3.865 -5.614 1.00 0.26 H new ATOM 780 N ILE A 48 -12.717 -2.731 -2.599 1.00 0.20 N ATOM 781 CA ILE A 48 -12.759 -3.176 -1.210 1.00 0.21 C ATOM 782 C ILE A 48 -13.549 -2.172 -0.374 1.00 0.21 C ATOM 783 O ILE A 48 -14.190 -2.526 0.615 1.00 0.23 O ATOM 784 CB ILE A 48 -11.336 -3.338 -0.619 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.508 -4.279 -1.496 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.403 -3.872 0.807 1.00 0.22 C ATOM 787 CD1 ILE A 48 -9.057 -4.383 -1.080 1.00 0.21 C ATOM 0 H ILE A 48 -11.784 -2.502 -2.942 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.247 -4.150 -1.184 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.857 -2.359 -0.597 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.956 -5.272 -1.470 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.556 -3.934 -2.529 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.393 -3.978 1.203 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.966 -3.177 1.430 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.898 -4.843 0.809 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.535 -5.068 -1.748 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.592 -3.399 -1.133 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.997 -4.758 -0.058 1.00 0.21 H new ATOM 799 N CYS A 49 -13.521 -0.919 -0.807 1.00 0.20 N ATOM 800 CA CYS A 49 -14.203 0.148 -0.104 1.00 0.21 C ATOM 801 C CYS A 49 -15.506 0.527 -0.802 1.00 0.25 C ATOM 802 O CYS A 49 -16.100 1.568 -0.514 1.00 0.25 O ATOM 803 CB CYS A 49 -13.269 1.345 -0.004 1.00 0.19 C ATOM 804 SG CYS A 49 -11.766 0.981 0.949 1.00 0.18 S ATOM 0 H CYS A 49 -13.028 -0.620 -1.648 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.467 -0.193 0.897 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.990 1.668 -1.007 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.798 2.176 0.462 1.00 0.19 H new ATOM 809 N LYS A 50 -15.943 -0.327 -1.718 1.00 0.32 N ATOM 810 CA LYS A 50 -17.189 -0.112 -2.441 1.00 0.40 C ATOM 811 C LYS A 50 -18.374 -0.104 -1.480 1.00 0.39 C ATOM 812 O LYS A 50 -18.716 -1.128 -0.891 1.00 0.47 O ATOM 813 CB LYS A 50 -17.373 -1.194 -3.509 1.00 0.54 C ATOM 814 CG LYS A 50 -18.580 -0.981 -4.410 1.00 0.68 C ATOM 815 CD LYS A 50 -18.649 -2.048 -5.493 1.00 0.92 C ATOM 816 CE LYS A 50 -18.822 -3.436 -4.899 1.00 1.58 C ATOM 817 NZ LYS A 50 -18.713 -4.503 -5.927 1.00 2.33 N ATOM 0 H LYS A 50 -15.449 -1.180 -1.979 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.142 0.860 -2.932 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.476 -1.236 -4.126 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.467 -2.162 -3.017 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.492 -1.004 -3.813 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.525 0.006 -4.870 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -19.480 -1.833 -6.165 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -17.739 -2.019 -6.092 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -18.067 -3.597 -4.129 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -19.794 -3.502 -4.411 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -18.837 -5.432 -5.477 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -19.449 -4.366 -6.649 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -17.776 -4.458 -6.376 1.00 2.33 H new ATOM 831 N GLY A 51 -18.975 1.064 -1.312 1.00 0.36 N ATOM 832 CA GLY A 51 -20.131 1.192 -0.449 1.00 0.38 C ATOM 833 C GLY A 51 -19.797 1.800 0.900 1.00 0.37 C ATOM 834 O GLY A 51 -20.685 2.020 1.722 1.00 0.44 O ATOM 0 H GLY A 51 -18.680 1.931 -1.761 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.881 1.809 -0.944 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.576 0.209 -0.298 1.00 0.38 H new ATOM 838 N ILE A 52 -18.521 2.082 1.135 1.00 0.31 N ATOM 839 CA ILE A 52 -18.095 2.633 2.419 1.00 0.29 C ATOM 840 C ILE A 52 -17.827 4.133 2.299 1.00 0.29 C ATOM 841 O ILE A 52 -16.731 4.547 1.919 1.00 0.27 O ATOM 842 CB ILE A 52 -16.814 1.944 2.936 1.00 0.26 C ATOM 843 CG1 ILE A 52 -16.898 0.422 2.770 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.577 2.301 4.395 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.045 -0.222 3.520 1.00 0.33 C ATOM 0 H ILE A 52 -17.768 1.941 0.461 1.00 0.31 H new ATOM 0 HA ILE A 52 -18.905 2.454 3.126 1.00 0.29 H new ATOM 0 HB ILE A 52 -15.974 2.303 2.341 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -16.995 0.188 1.710 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -15.962 -0.021 3.110 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -15.671 1.809 4.747 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.464 3.381 4.492 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.426 1.970 4.993 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.032 -1.298 3.349 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -17.940 -0.022 4.586 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -18.989 0.191 3.165 1.00 0.33 H new ATOM 857 N ILE A 53 -18.831 4.941 2.606 1.00 0.33 N ATOM 858 CA ILE A 53 -18.709 6.384 2.493 1.00 0.35 C ATOM 859 C ILE A 53 -18.080 6.985 3.751 1.00 0.34 C ATOM 860 O ILE A 53 -17.104 7.735 3.668 1.00 0.35 O ATOM 861 CB ILE A 53 -20.084 7.041 2.221 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.557 6.767 0.786 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.028 8.544 2.471 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.790 5.309 0.447 1.00 0.55 C ATOM 0 H ILE A 53 -19.741 4.619 2.936 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.054 6.590 1.647 1.00 0.35 H new ATOM 0 HB ILE A 53 -20.800 6.596 2.912 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.484 7.315 0.616 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -19.817 7.170 0.094 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.006 8.982 2.273 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -19.750 8.730 3.508 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.288 8.995 1.811 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.121 5.225 -0.588 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.862 4.752 0.578 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.555 4.900 1.107 1.00 0.55 H new ATOM 876 N ALA A 54 -18.631 6.653 4.911 1.00 0.37 N ATOM 877 CA ALA A 54 -18.098 7.148 6.173 1.00 0.38 C ATOM 878 C ALA A 54 -16.754 6.501 6.468 1.00 0.33 C ATOM 879 O ALA A 54 -16.592 5.297 6.272 1.00 0.32 O ATOM 880 CB ALA A 54 -19.076 6.891 7.310 1.00 0.46 C ATOM 0 H ALA A 54 -19.444 6.045 5.004 1.00 0.37 H new ATOM 0 HA ALA A 54 -17.954 8.225 6.087 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -18.657 7.269 8.243 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.017 7.400 7.102 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.255 5.820 7.401 1.00 0.46 H new ATOM 886 N SER A 55 -15.797 7.315 6.915 1.00 0.34 N ATOM 887 CA SER A 55 -14.436 6.860 7.191 1.00 0.34 C ATOM 888 C SER A 55 -14.453 5.618 8.089 1.00 0.32 C ATOM 889 O SER A 55 -14.749 5.699 9.285 1.00 0.36 O ATOM 890 CB SER A 55 -13.639 7.992 7.847 1.00 0.41 C ATOM 891 OG SER A 55 -12.244 7.834 7.639 1.00 1.42 O ATOM 0 H SER A 55 -15.945 8.308 7.096 1.00 0.34 H new ATOM 0 HA SER A 55 -13.955 6.587 6.252 1.00 0.34 H new ATOM 0 HB2 SER A 55 -13.963 8.950 7.439 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.848 8.014 8.916 1.00 0.41 H new ATOM 0 HG SER A 55 -11.925 8.524 7.020 1.00 1.42 H new ATOM 897 N LYS A 56 -14.156 4.470 7.495 1.00 0.30 N ATOM 898 CA LYS A 56 -14.266 3.190 8.177 1.00 0.31 C ATOM 899 C LYS A 56 -13.207 2.222 7.657 1.00 0.29 C ATOM 900 O LYS A 56 -13.127 1.967 6.456 1.00 0.27 O ATOM 901 CB LYS A 56 -15.672 2.628 7.942 1.00 0.34 C ATOM 902 CG LYS A 56 -15.952 1.290 8.603 1.00 0.40 C ATOM 903 CD LYS A 56 -17.364 0.829 8.281 1.00 0.51 C ATOM 904 CE LYS A 56 -17.688 -0.525 8.890 1.00 0.94 C ATOM 905 NZ LYS A 56 -19.070 -0.955 8.550 1.00 1.71 N ATOM 0 H LYS A 56 -13.833 4.401 6.530 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.102 3.324 9.246 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.401 3.353 8.303 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.830 2.525 6.868 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.232 0.548 8.258 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -15.827 1.377 9.682 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.076 1.568 8.647 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.488 0.776 7.199 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -16.975 -1.267 8.531 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -17.577 -0.475 9.973 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -19.261 -1.882 8.980 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -19.750 -0.258 8.915 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -19.167 -1.026 7.517 1.00 1.71 H new ATOM 919 N ASN A 57 -12.384 1.701 8.555 1.00 0.36 N ATOM 920 CA ASN A 57 -11.356 0.744 8.172 1.00 0.37 C ATOM 921 C ASN A 57 -11.963 -0.641 7.992 1.00 0.33 C ATOM 922 O ASN A 57 -12.691 -1.130 8.856 1.00 0.41 O ATOM 923 CB ASN A 57 -10.216 0.717 9.205 1.00 0.50 C ATOM 924 CG ASN A 57 -10.681 0.391 10.612 1.00 0.80 C ATOM 925 OD1 ASN A 57 -11.112 1.276 11.354 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.570 -0.869 10.998 1.00 1.13 N ATOM 0 H ASN A 57 -12.407 1.923 9.550 1.00 0.36 H new ATOM 0 HA ASN A 57 -10.931 1.059 7.219 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -9.474 -0.020 8.896 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -9.719 1.687 9.211 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -10.846 -1.139 11.942 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.208 -1.570 10.352 1.00 1.13 H new ATOM 933 N VAL A 58 -11.684 -1.256 6.853 1.00 0.28 N ATOM 934 CA VAL A 58 -12.235 -2.564 6.543 1.00 0.27 C ATOM 935 C VAL A 58 -11.117 -3.558 6.220 1.00 0.25 C ATOM 936 O VAL A 58 -10.147 -3.226 5.531 1.00 0.25 O ATOM 937 CB VAL A 58 -13.244 -2.496 5.369 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.265 -1.387 5.594 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.536 -2.320 4.035 1.00 0.57 C ATOM 0 H VAL A 58 -11.079 -0.869 6.129 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.772 -2.909 7.427 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.776 -3.447 5.336 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.962 -1.359 4.757 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.813 -1.579 6.516 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.751 -0.429 5.670 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.274 -2.276 3.234 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.960 -1.395 4.048 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.866 -3.163 3.865 1.00 0.57 H new ATOM 949 N LEU A 59 -11.237 -4.760 6.758 1.00 0.28 N ATOM 950 CA LEU A 59 -10.242 -5.798 6.558 1.00 0.26 C ATOM 951 C LEU A 59 -10.650 -6.679 5.376 1.00 0.26 C ATOM 952 O LEU A 59 -11.830 -7.004 5.211 1.00 0.30 O ATOM 953 CB LEU A 59 -10.104 -6.605 7.859 1.00 0.30 C ATOM 954 CG LEU A 59 -8.889 -7.534 7.982 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.188 -8.904 7.412 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.675 -6.937 7.296 1.00 0.67 C ATOM 0 H LEU A 59 -12.023 -5.042 7.343 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.271 -5.363 6.320 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.077 -5.902 8.691 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.004 -7.208 7.980 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.668 -7.644 9.044 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.309 -9.540 7.513 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.022 -9.349 7.954 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.449 -8.810 6.358 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.829 -7.616 7.399 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.892 -6.785 6.239 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.430 -5.980 7.757 1.00 0.67 H new ATOM 968 N THR A 60 -9.676 -7.043 4.551 1.00 0.22 N ATOM 969 CA THR A 60 -9.942 -7.776 3.319 1.00 0.22 C ATOM 970 C THR A 60 -10.376 -9.214 3.580 1.00 0.24 C ATOM 971 O THR A 60 -10.085 -9.797 4.624 1.00 0.33 O ATOM 972 CB THR A 60 -8.712 -7.770 2.390 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.550 -8.224 3.093 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.460 -6.377 1.834 1.00 0.24 C ATOM 0 H THR A 60 -8.690 -6.841 4.714 1.00 0.22 H new ATOM 0 HA THR A 60 -10.767 -7.258 2.829 1.00 0.22 H new ATOM 0 HB THR A 60 -8.916 -8.448 1.561 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.181 -9.012 2.641 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.587 -6.398 1.181 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.330 -6.049 1.265 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.282 -5.684 2.656 1.00 0.24 H new ATOM 982 N THR A 61 -11.076 -9.776 2.610 1.00 0.27 N ATOM 983 CA THR A 61 -11.609 -11.118 2.721 1.00 0.33 C ATOM 984 C THR A 61 -10.560 -12.169 2.371 1.00 0.33 C ATOM 985 O THR A 61 -10.674 -13.334 2.755 1.00 0.43 O ATOM 986 CB THR A 61 -12.814 -11.262 1.787 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.495 -10.693 0.508 1.00 0.48 O ATOM 988 CG2 THR A 61 -14.034 -10.563 2.371 1.00 0.46 C ATOM 0 H THR A 61 -11.289 -9.314 1.726 1.00 0.27 H new ATOM 0 HA THR A 61 -11.912 -11.280 3.755 1.00 0.33 H new ATOM 0 HB THR A 61 -13.046 -12.321 1.673 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.264 -10.785 -0.092 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.879 -10.677 1.692 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.281 -11.007 3.335 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.817 -9.503 2.505 1.00 0.46 H new ATOM 996 N SER A 62 -9.534 -11.742 1.657 1.00 0.28 N ATOM 997 CA SER A 62 -8.490 -12.644 1.192 1.00 0.31 C ATOM 998 C SER A 62 -7.126 -11.975 1.305 1.00 0.26 C ATOM 999 O SER A 62 -7.038 -10.759 1.501 1.00 0.24 O ATOM 1000 CB SER A 62 -8.754 -13.052 -0.260 1.00 0.41 C ATOM 1001 OG SER A 62 -10.035 -13.647 -0.404 1.00 1.09 O ATOM 0 H SER A 62 -9.399 -10.769 1.384 1.00 0.28 H new ATOM 0 HA SER A 62 -8.497 -13.537 1.817 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.683 -12.176 -0.905 1.00 0.41 H new ATOM 0 HB3 SER A 62 -7.986 -13.753 -0.588 1.00 0.41 H new ATOM 0 HG SER A 62 -10.177 -13.896 -1.341 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.071 -12.774 1.204 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.713 -12.259 1.249 1.00 0.23 C ATOM 1009 C GLU A 63 -4.315 -11.709 -0.114 1.00 0.24 C ATOM 1010 O GLU A 63 -4.634 -12.294 -1.149 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.708 -13.341 1.673 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.141 -14.192 2.861 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.069 -15.322 2.463 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -4.568 -16.418 2.134 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -6.296 -15.120 2.462 1.00 2.06 O ATOM 0 H GLU A 63 -6.133 -13.786 1.090 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.691 -11.462 1.992 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.524 -13.998 0.823 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.760 -12.860 1.916 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.258 -14.607 3.347 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.640 -13.558 3.594 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.625 -10.587 -0.105 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.143 -9.973 -1.327 1.00 0.17 C ATOM 1024 C PHE A 64 -1.630 -10.061 -1.394 1.00 0.16 C ATOM 1025 O PHE A 64 -0.972 -10.371 -0.397 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.584 -8.515 -1.406 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.044 -8.336 -1.725 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -6.010 -8.474 -0.740 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.447 -8.028 -3.014 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.350 -8.309 -1.039 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.785 -7.862 -3.317 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.737 -8.004 -2.328 1.00 0.28 C ATOM 0 H PHE A 64 -3.383 -10.077 0.744 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.569 -10.511 -2.174 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.368 -8.028 -0.455 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.991 -8.007 -2.166 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.713 -8.713 0.271 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.706 -7.916 -3.792 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.094 -8.419 -0.264 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.085 -7.622 -4.326 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.783 -7.877 -2.563 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.081 -9.797 -2.563 1.00 0.17 N ATOM 1043 CA TYR A 65 0.354 -9.889 -2.757 1.00 0.16 C ATOM 1044 C TYR A 65 1.010 -8.571 -2.372 1.00 0.16 C ATOM 1045 O TYR A 65 0.948 -7.596 -3.108 1.00 0.18 O ATOM 1046 CB TYR A 65 0.680 -10.259 -4.203 1.00 0.20 C ATOM 1047 CG TYR A 65 0.051 -11.563 -4.642 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.659 -12.779 -4.360 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.145 -11.575 -5.348 1.00 0.40 C ATOM 1050 CE1 TYR A 65 0.091 -13.971 -4.763 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.720 -12.764 -5.756 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.115 -13.960 -5.437 1.00 0.54 C ATOM 1053 OH TYR A 65 -1.668 -15.149 -5.869 1.00 0.66 O ATOM 0 H TYR A 65 -1.605 -9.517 -3.392 1.00 0.17 H new ATOM 0 HA TYR A 65 0.749 -10.677 -2.115 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.340 -9.460 -4.861 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.762 -10.328 -4.318 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.592 -12.793 -3.816 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.633 -10.641 -5.582 1.00 0.40 H new ATOM 0 HE1 TYR A 65 0.587 -14.907 -4.553 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.640 -12.755 -6.322 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.517 -14.969 -6.324 1.00 0.66 H new ATOM 1063 N LEU A 66 1.619 -8.547 -1.206 1.00 0.15 N ATOM 1064 CA LEU A 66 2.182 -7.327 -0.656 1.00 0.16 C ATOM 1065 C LEU A 66 3.698 -7.323 -0.776 1.00 0.16 C ATOM 1066 O LEU A 66 4.330 -8.382 -0.843 1.00 0.20 O ATOM 1067 CB LEU A 66 1.776 -7.183 0.810 1.00 0.18 C ATOM 1068 CG LEU A 66 0.269 -7.231 1.066 1.00 0.19 C ATOM 1069 CD1 LEU A 66 -0.023 -7.120 2.551 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.439 -6.126 0.298 1.00 0.19 C ATOM 0 H LEU A 66 1.739 -9.368 -0.612 1.00 0.15 H new ATOM 0 HA LEU A 66 1.792 -6.483 -1.225 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.253 -7.977 1.384 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.165 -6.238 1.189 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.109 -8.190 0.713 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.100 -7.156 2.714 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.451 -7.948 3.078 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.370 -6.176 2.929 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.510 -6.176 0.493 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.057 -5.157 0.619 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.258 -6.251 -0.770 1.00 0.19 H new ATOM 1082 N SER A 67 4.268 -6.133 -0.848 1.00 0.17 N ATOM 1083 CA SER A 67 5.708 -5.972 -0.816 1.00 0.18 C ATOM 1084 C SER A 67 6.073 -4.940 0.246 1.00 0.22 C ATOM 1085 O SER A 67 5.788 -3.748 0.099 1.00 0.26 O ATOM 1086 CB SER A 67 6.223 -5.539 -2.190 1.00 0.22 C ATOM 1087 OG SER A 67 5.709 -6.383 -3.209 1.00 0.29 O ATOM 0 H SER A 67 3.749 -5.259 -0.930 1.00 0.17 H new ATOM 0 HA SER A 67 6.176 -6.924 -0.565 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.931 -4.507 -2.384 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.313 -5.569 -2.201 1.00 0.22 H new ATOM 0 HG SER A 67 6.334 -6.403 -3.963 1.00 0.29 H new ATOM 1093 N ASP A 68 6.684 -5.414 1.320 1.00 0.26 N ATOM 1094 CA ASP A 68 7.026 -4.571 2.453 1.00 0.34 C ATOM 1095 C ASP A 68 8.412 -3.970 2.285 1.00 0.29 C ATOM 1096 O ASP A 68 9.421 -4.665 2.414 1.00 0.34 O ATOM 1097 CB ASP A 68 6.985 -5.370 3.761 1.00 0.46 C ATOM 1098 CG ASP A 68 5.606 -5.892 4.102 1.00 1.12 C ATOM 1099 OD1 ASP A 68 4.800 -5.117 4.670 1.00 1.12 O ATOM 1100 OD2 ASP A 68 5.332 -7.082 3.824 1.00 2.01 O ATOM 0 H ASP A 68 6.956 -6.391 1.430 1.00 0.26 H new ATOM 0 HA ASP A 68 6.288 -3.770 2.495 1.00 0.34 H new ATOM 0 HB2 ASP A 68 7.676 -6.210 3.687 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.338 -4.738 4.576 1.00 0.46 H new ATOM 1105 N CYS A 69 8.459 -2.685 1.987 1.00 0.28 N ATOM 1106 CA CYS A 69 9.719 -1.964 1.935 1.00 0.26 C ATOM 1107 C CYS A 69 10.010 -1.380 3.305 1.00 0.30 C ATOM 1108 O CYS A 69 9.230 -0.581 3.814 1.00 0.35 O ATOM 1109 CB CYS A 69 9.645 -0.849 0.894 1.00 0.25 C ATOM 1110 SG CYS A 69 9.358 -1.439 -0.803 1.00 0.62 S ATOM 0 H CYS A 69 7.638 -2.117 1.777 1.00 0.28 H new ATOM 0 HA CYS A 69 10.519 -2.648 1.651 1.00 0.26 H new ATOM 0 HB2 CYS A 69 8.845 -0.162 1.169 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.575 -0.281 0.918 1.00 0.25 H new ATOM 1115 N ASN A 70 11.121 -1.773 3.902 1.00 0.35 N ATOM 1116 CA ASN A 70 11.422 -1.369 5.271 1.00 0.42 C ATOM 1117 C ASN A 70 12.874 -0.942 5.413 1.00 0.44 C ATOM 1118 O ASN A 70 13.772 -1.540 4.811 1.00 0.49 O ATOM 1119 CB ASN A 70 11.093 -2.509 6.246 1.00 0.51 C ATOM 1120 CG ASN A 70 11.802 -3.812 5.904 1.00 0.97 C ATOM 1121 OD1 ASN A 70 12.894 -4.090 6.395 1.00 1.93 O ATOM 1122 ND2 ASN A 70 11.180 -4.625 5.060 1.00 1.08 N ATOM 0 H ASN A 70 11.827 -2.367 3.468 1.00 0.35 H new ATOM 0 HA ASN A 70 10.799 -0.509 5.516 1.00 0.42 H new ATOM 0 HB2 ASN A 70 11.370 -2.206 7.256 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.016 -2.678 6.248 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.608 -5.514 4.799 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.274 -4.361 4.672 1.00 1.08 H new ATOM 1129 N VAL A 71 13.083 0.118 6.188 1.00 0.47 N ATOM 1130 CA VAL A 71 14.414 0.659 6.425 1.00 0.51 C ATOM 1131 C VAL A 71 15.236 -0.305 7.279 1.00 0.56 C ATOM 1132 O VAL A 71 14.686 -1.038 8.104 1.00 0.60 O ATOM 1133 CB VAL A 71 14.333 2.051 7.105 1.00 0.54 C ATOM 1134 CG1 VAL A 71 13.892 1.941 8.558 1.00 0.90 C ATOM 1135 CG2 VAL A 71 15.659 2.784 6.993 1.00 0.82 C ATOM 0 H VAL A 71 12.337 0.623 6.667 1.00 0.47 H new ATOM 0 HA VAL A 71 14.909 0.780 5.461 1.00 0.51 H new ATOM 0 HB VAL A 71 13.576 2.631 6.578 1.00 0.54 H new ATOM 0 HG11 VAL A 71 13.847 2.936 9.001 1.00 0.90 H new ATOM 0 HG12 VAL A 71 12.906 1.478 8.605 1.00 0.90 H new ATOM 0 HG13 VAL A 71 14.607 1.330 9.110 1.00 0.90 H new ATOM 0 HG21 VAL A 71 15.579 3.757 7.477 1.00 0.82 H new ATOM 0 HG22 VAL A 71 16.440 2.200 7.480 1.00 0.82 H new ATOM 0 HG23 VAL A 71 15.911 2.921 5.941 1.00 0.82 H new ATOM 1145 N THR A 72 16.545 -0.320 7.070 1.00 0.58 N ATOM 1146 CA THR A 72 17.403 -1.277 7.749 1.00 0.64 C ATOM 1147 C THR A 72 18.422 -0.601 8.665 1.00 0.75 C ATOM 1148 O THR A 72 18.088 -0.168 9.772 1.00 0.93 O ATOM 1149 CB THR A 72 18.132 -2.164 6.726 1.00 0.71 C ATOM 1150 OG1 THR A 72 18.708 -1.347 5.693 1.00 0.78 O ATOM 1151 CG2 THR A 72 17.176 -3.166 6.109 1.00 0.78 C ATOM 0 H THR A 72 17.033 0.316 6.439 1.00 0.58 H new ATOM 0 HA THR A 72 16.756 -1.892 8.375 1.00 0.64 H new ATOM 0 HB THR A 72 18.923 -2.708 7.243 1.00 0.71 H new ATOM 0 HG1 THR A 72 17.995 -0.881 5.209 1.00 0.78 H new ATOM 0 HG21 THR A 72 17.712 -3.784 5.388 1.00 0.78 H new ATOM 0 HG22 THR A 72 16.759 -3.800 6.891 1.00 0.78 H new ATOM 0 HG23 THR A 72 16.369 -2.635 5.603 1.00 0.78 H new ATOM 1159 N SER A 73 19.659 -0.511 8.200 1.00 0.86 N ATOM 1160 CA SER A 73 20.736 0.080 8.976 1.00 1.02 C ATOM 1161 C SER A 73 21.075 1.468 8.447 1.00 0.90 C ATOM 1162 O SER A 73 21.432 2.368 9.210 1.00 0.99 O ATOM 1163 CB SER A 73 21.964 -0.829 8.927 1.00 1.33 C ATOM 1164 OG SER A 73 22.208 -1.273 7.602 1.00 1.87 O ATOM 0 H SER A 73 19.942 -0.844 7.279 1.00 0.86 H new ATOM 0 HA SER A 73 20.413 0.183 10.012 1.00 1.02 H new ATOM 0 HB2 SER A 73 22.835 -0.292 9.302 1.00 1.33 H new ATOM 0 HB3 SER A 73 21.813 -1.688 9.581 1.00 1.33 H new ATOM 0 HG SER A 73 22.999 -1.852 7.591 1.00 1.87 H new ATOM 1170 N ARG A 74 20.967 1.636 7.138 1.00 0.81 N ATOM 1171 CA ARG A 74 21.182 2.932 6.519 1.00 0.76 C ATOM 1172 C ARG A 74 19.857 3.641 6.315 1.00 0.68 C ATOM 1173 O ARG A 74 18.831 3.004 6.072 1.00 0.63 O ATOM 1174 CB ARG A 74 21.904 2.789 5.180 1.00 0.88 C ATOM 1175 CG ARG A 74 23.391 2.534 5.311 1.00 1.40 C ATOM 1176 CD ARG A 74 24.047 2.431 3.944 1.00 1.55 C ATOM 1177 NE ARG A 74 25.489 2.216 4.031 1.00 2.35 N ATOM 1178 CZ ARG A 74 26.368 2.695 3.152 1.00 2.74 C ATOM 1179 NH1 ARG A 74 25.962 3.449 2.135 1.00 2.41 N ATOM 1180 NH2 ARG A 74 27.658 2.426 3.301 1.00 3.76 N ATOM 0 H ARG A 74 20.731 0.889 6.484 1.00 0.81 H new ATOM 0 HA ARG A 74 21.809 3.524 7.186 1.00 0.76 H new ATOM 0 HB2 ARG A 74 21.452 1.970 4.620 1.00 0.88 H new ATOM 0 HB3 ARG A 74 21.751 3.697 4.596 1.00 0.88 H new ATOM 0 HG2 ARG A 74 23.853 3.340 5.881 1.00 1.40 H new ATOM 0 HG3 ARG A 74 23.558 1.613 5.869 1.00 1.40 H new ATOM 0 HD2 ARG A 74 23.593 1.611 3.388 1.00 1.55 H new ATOM 0 HD3 ARG A 74 23.852 3.344 3.381 1.00 1.55 H new ATOM 0 HE ARG A 74 25.845 1.665 4.813 1.00 2.35 H new ATOM 0 HH11 ARG A 74 24.971 3.665 2.024 1.00 2.41 H new ATOM 0 HH12 ARG A 74 26.641 3.812 1.466 1.00 2.41 H new ATOM 0 HH21 ARG A 74 27.973 1.855 4.085 1.00 3.76 H new ATOM 0 HH22 ARG A 74 28.336 2.790 2.631 1.00 3.76 H new ATOM 1194 N PRO A 75 19.865 4.972 6.407 1.00 0.74 N ATOM 1195 CA PRO A 75 18.664 5.771 6.238 1.00 0.74 C ATOM 1196 C PRO A 75 18.241 5.830 4.775 1.00 0.65 C ATOM 1197 O PRO A 75 19.051 6.149 3.899 1.00 0.70 O ATOM 1198 CB PRO A 75 19.060 7.156 6.755 1.00 0.92 C ATOM 1199 CG PRO A 75 20.550 7.213 6.670 1.00 1.05 C ATOM 1200 CD PRO A 75 21.060 5.793 6.660 1.00 0.92 C ATOM 0 HA PRO A 75 17.810 5.355 6.773 1.00 0.74 H new ATOM 0 HB2 PRO A 75 18.604 7.943 6.154 1.00 0.92 H new ATOM 0 HB3 PRO A 75 18.721 7.302 7.781 1.00 0.92 H new ATOM 0 HG2 PRO A 75 20.862 7.739 5.768 1.00 1.05 H new ATOM 0 HG3 PRO A 75 20.961 7.762 7.517 1.00 1.05 H new ATOM 0 HD2 PRO A 75 21.813 5.647 5.885 1.00 0.92 H new ATOM 0 HD3 PRO A 75 21.526 5.532 7.610 1.00 0.92 H new ATOM 1208 N CYS A 76 16.977 5.504 4.524 1.00 0.57 N ATOM 1209 CA CYS A 76 16.428 5.442 3.168 1.00 0.52 C ATOM 1210 C CYS A 76 17.034 4.269 2.386 1.00 0.51 C ATOM 1211 O CYS A 76 16.996 4.234 1.158 1.00 0.55 O ATOM 1212 CB CYS A 76 16.654 6.769 2.427 1.00 0.58 C ATOM 1213 SG CYS A 76 15.732 6.934 0.864 1.00 1.55 S ATOM 0 H CYS A 76 16.302 5.275 5.253 1.00 0.57 H new ATOM 0 HA CYS A 76 15.353 5.276 3.245 1.00 0.52 H new ATOM 0 HB2 CYS A 76 16.374 7.590 3.087 1.00 0.58 H new ATOM 0 HB3 CYS A 76 17.718 6.876 2.218 1.00 0.58 H new ATOM 1218 N LYS A 77 17.593 3.302 3.106 1.00 0.50 N ATOM 1219 CA LYS A 77 18.064 2.074 2.488 1.00 0.50 C ATOM 1220 C LYS A 77 17.176 0.920 2.933 1.00 0.47 C ATOM 1221 O LYS A 77 17.077 0.627 4.130 1.00 0.51 O ATOM 1222 CB LYS A 77 19.524 1.806 2.857 1.00 0.60 C ATOM 1223 CG LYS A 77 20.104 0.592 2.154 1.00 1.30 C ATOM 1224 CD LYS A 77 20.082 0.766 0.643 1.00 1.57 C ATOM 1225 CE LYS A 77 20.393 -0.531 -0.082 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.134 -0.415 -1.541 1.00 2.60 N ATOM 0 H LYS A 77 17.729 3.347 4.116 1.00 0.50 H new ATOM 0 HA LYS A 77 18.011 2.174 1.404 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.122 2.683 2.608 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.600 1.664 3.935 1.00 0.60 H new ATOM 0 HG2 LYS A 77 21.129 0.430 2.489 1.00 1.30 H new ATOM 0 HG3 LYS A 77 19.535 -0.296 2.428 1.00 1.30 H new ATOM 0 HD2 LYS A 77 19.102 1.128 0.334 1.00 1.57 H new ATOM 0 HD3 LYS A 77 20.808 1.526 0.355 1.00 1.57 H new ATOM 0 HE2 LYS A 77 21.436 -0.800 0.083 1.00 2.24 H new ATOM 0 HE3 LYS A 77 19.786 -1.336 0.333 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 19.264 -0.932 -1.781 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 20.022 0.587 -1.795 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 20.934 -0.819 -2.069 1.00 2.60 H new ATOM 1240 N TYR A 78 16.538 0.263 1.977 1.00 0.45 N ATOM 1241 CA TYR A 78 15.477 -0.680 2.297 1.00 0.47 C ATOM 1242 C TYR A 78 15.796 -2.094 1.849 1.00 0.52 C ATOM 1243 O TYR A 78 16.685 -2.326 1.025 1.00 0.59 O ATOM 1244 CB TYR A 78 14.173 -0.241 1.633 1.00 0.48 C ATOM 1245 CG TYR A 78 13.740 1.154 2.000 1.00 0.65 C ATOM 1246 CD1 TYR A 78 14.182 2.249 1.271 1.00 0.74 C ATOM 1247 CD2 TYR A 78 12.894 1.377 3.074 1.00 0.91 C ATOM 1248 CE1 TYR A 78 13.787 3.526 1.601 1.00 0.99 C ATOM 1249 CE2 TYR A 78 12.495 2.651 3.410 1.00 1.15 C ATOM 1250 CZ TYR A 78 12.946 3.721 2.671 1.00 1.17 C ATOM 1251 OH TYR A 78 12.547 4.986 3.004 1.00 1.44 O ATOM 0 H TYR A 78 16.734 0.364 0.981 1.00 0.45 H new ATOM 0 HA TYR A 78 15.379 -0.684 3.383 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.289 -0.302 0.551 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.383 -0.940 1.908 1.00 0.48 H new ATOM 0 HD1 TYR A 78 14.846 2.097 0.433 1.00 0.74 H new ATOM 0 HD2 TYR A 78 12.542 0.539 3.657 1.00 0.91 H new ATOM 0 HE1 TYR A 78 14.136 4.369 1.023 1.00 0.99 H new ATOM 0 HE2 TYR A 78 11.832 2.810 4.248 1.00 1.15 H new ATOM 0 HH TYR A 78 11.980 4.951 3.802 1.00 1.44 H new ATOM 1261 N LYS A 79 15.056 -3.034 2.417 1.00 0.53 N ATOM 1262 CA LYS A 79 15.037 -4.404 1.945 1.00 0.58 C ATOM 1263 C LYS A 79 13.650 -4.711 1.401 1.00 0.46 C ATOM 1264 O LYS A 79 12.676 -4.053 1.775 1.00 0.47 O ATOM 1265 CB LYS A 79 15.372 -5.377 3.076 1.00 0.78 C ATOM 1266 CG LYS A 79 16.791 -5.262 3.597 1.00 1.39 C ATOM 1267 CD LYS A 79 17.813 -5.526 2.511 1.00 2.02 C ATOM 1268 CE LYS A 79 19.226 -5.464 3.061 1.00 2.63 C ATOM 1269 NZ LYS A 79 20.244 -5.635 1.995 1.00 3.52 N ATOM 0 H LYS A 79 14.451 -2.864 3.221 1.00 0.53 H new ATOM 0 HA LYS A 79 15.787 -4.522 1.163 1.00 0.58 H new ATOM 0 HB2 LYS A 79 14.680 -5.209 3.901 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.208 -6.395 2.724 1.00 0.78 H new ATOM 0 HG2 LYS A 79 16.947 -4.265 4.008 1.00 1.39 H new ATOM 0 HG3 LYS A 79 16.937 -5.970 4.413 1.00 1.39 H new ATOM 0 HD2 LYS A 79 17.634 -6.507 2.070 1.00 2.02 H new ATOM 0 HD3 LYS A 79 17.698 -4.792 1.713 1.00 2.02 H new ATOM 0 HE2 LYS A 79 19.380 -4.507 3.559 1.00 2.63 H new ATOM 0 HE3 LYS A 79 19.356 -6.240 3.815 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 21.195 -5.586 2.412 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 20.114 -6.559 1.536 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 20.137 -4.879 1.288 1.00 3.52 H new ATOM 1283 N LEU A 80 13.556 -5.701 0.533 1.00 0.45 N ATOM 1284 CA LEU A 80 12.277 -6.072 -0.045 1.00 0.41 C ATOM 1285 C LEU A 80 11.725 -7.316 0.623 1.00 0.42 C ATOM 1286 O LEU A 80 12.423 -8.322 0.774 1.00 0.49 O ATOM 1287 CB LEU A 80 12.416 -6.308 -1.546 1.00 0.50 C ATOM 1288 CG LEU A 80 11.654 -5.333 -2.426 1.00 0.58 C ATOM 1289 CD1 LEU A 80 12.109 -5.466 -3.869 1.00 1.34 C ATOM 1290 CD2 LEU A 80 10.156 -5.570 -2.316 1.00 0.74 C ATOM 0 H LEU A 80 14.346 -6.261 0.213 1.00 0.45 H new ATOM 0 HA LEU A 80 11.582 -5.249 0.121 1.00 0.41 H new ATOM 0 HB2 LEU A 80 13.473 -6.261 -1.809 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.076 -7.319 -1.772 1.00 0.50 H new ATOM 0 HG LEU A 80 11.864 -4.319 -2.085 1.00 0.58 H new ATOM 0 HD11 LEU A 80 11.556 -4.762 -4.491 1.00 1.34 H new ATOM 0 HD12 LEU A 80 13.175 -5.249 -3.936 1.00 1.34 H new ATOM 0 HD13 LEU A 80 11.923 -6.482 -4.217 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.628 -4.861 -2.954 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.924 -6.587 -2.633 1.00 0.74 H new ATOM 0 HD23 LEU A 80 9.841 -5.432 -1.282 1.00 0.74 H new ATOM 1302 N LYS A 81 10.465 -7.246 1.003 1.00 0.40 N ATOM 1303 CA LYS A 81 9.801 -8.356 1.657 1.00 0.44 C ATOM 1304 C LYS A 81 8.495 -8.670 0.941 1.00 0.38 C ATOM 1305 O LYS A 81 7.507 -7.957 1.085 1.00 0.36 O ATOM 1306 CB LYS A 81 9.540 -8.012 3.128 1.00 0.49 C ATOM 1307 CG LYS A 81 8.720 -9.052 3.877 1.00 0.60 C ATOM 1308 CD LYS A 81 8.420 -8.602 5.298 1.00 0.71 C ATOM 1309 CE LYS A 81 7.535 -9.598 6.036 1.00 1.18 C ATOM 1310 NZ LYS A 81 8.146 -10.952 6.101 1.00 1.87 N ATOM 0 H LYS A 81 9.876 -6.424 0.869 1.00 0.40 H new ATOM 0 HA LYS A 81 10.442 -9.237 1.614 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.497 -7.886 3.635 1.00 0.49 H new ATOM 0 HB3 LYS A 81 9.024 -7.053 3.179 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.786 -9.233 3.346 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.262 -9.998 3.900 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.355 -8.474 5.843 1.00 0.71 H new ATOM 0 HD3 LYS A 81 7.929 -7.629 5.274 1.00 0.71 H new ATOM 0 HE2 LYS A 81 7.349 -9.236 7.047 1.00 1.18 H new ATOM 0 HE3 LYS A 81 6.568 -9.661 5.537 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 7.587 -11.555 6.738 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 8.160 -11.372 5.150 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 9.119 -10.877 6.461 1.00 1.87 H new ATOM 1324 N LYS A 82 8.508 -9.722 0.144 1.00 0.40 N ATOM 1325 CA LYS A 82 7.322 -10.138 -0.578 1.00 0.37 C ATOM 1326 C LYS A 82 6.478 -11.030 0.319 1.00 0.36 C ATOM 1327 O LYS A 82 6.928 -12.095 0.741 1.00 0.46 O ATOM 1328 CB LYS A 82 7.723 -10.882 -1.851 1.00 0.47 C ATOM 1329 CG LYS A 82 8.830 -10.187 -2.627 1.00 0.54 C ATOM 1330 CD LYS A 82 9.266 -11.007 -3.826 1.00 0.76 C ATOM 1331 CE LYS A 82 10.575 -10.493 -4.404 1.00 0.90 C ATOM 1332 NZ LYS A 82 11.066 -11.349 -5.516 1.00 1.10 N ATOM 0 H LYS A 82 9.329 -10.305 -0.019 1.00 0.40 H new ATOM 0 HA LYS A 82 6.737 -9.263 -0.862 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.049 -11.889 -1.589 1.00 0.47 H new ATOM 0 HB3 LYS A 82 6.849 -10.987 -2.493 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.484 -9.209 -2.960 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.684 -10.016 -1.971 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.381 -12.050 -3.533 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.491 -10.975 -4.592 1.00 0.76 H new ATOM 0 HE2 LYS A 82 10.437 -9.474 -4.765 1.00 0.90 H new ATOM 0 HE3 LYS A 82 11.328 -10.453 -3.617 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.960 -10.964 -5.882 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.223 -12.316 -5.167 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 10.359 -11.367 -6.279 1.00 1.10 H new ATOM 1346 N SER A 83 5.265 -10.596 0.612 1.00 0.31 N ATOM 1347 CA SER A 83 4.418 -11.304 1.556 1.00 0.36 C ATOM 1348 C SER A 83 2.986 -11.361 1.045 1.00 0.31 C ATOM 1349 O SER A 83 2.464 -10.374 0.543 1.00 0.50 O ATOM 1350 CB SER A 83 4.440 -10.583 2.907 1.00 0.46 C ATOM 1351 OG SER A 83 5.747 -10.136 3.236 1.00 1.12 O ATOM 0 H SER A 83 4.845 -9.758 0.211 1.00 0.31 H new ATOM 0 HA SER A 83 4.797 -12.320 1.670 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.760 -9.732 2.878 1.00 0.46 H new ATOM 0 HB3 SER A 83 4.077 -11.254 3.685 1.00 0.46 H new ATOM 0 HG SER A 83 5.716 -9.188 3.484 1.00 1.12 H new ATOM 1357 N THR A 84 2.362 -12.520 1.142 1.00 0.25 N ATOM 1358 CA THR A 84 0.955 -12.636 0.814 1.00 0.23 C ATOM 1359 C THR A 84 0.143 -12.554 2.098 1.00 0.22 C ATOM 1360 O THR A 84 0.223 -13.444 2.948 1.00 0.29 O ATOM 1361 CB THR A 84 0.646 -13.959 0.090 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.728 -14.305 -0.786 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.633 -13.841 -0.722 1.00 0.27 C ATOM 0 H THR A 84 2.804 -13.388 1.443 1.00 0.25 H new ATOM 0 HA THR A 84 0.690 -11.821 0.140 1.00 0.23 H new ATOM 0 HB THR A 84 0.519 -14.736 0.844 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.524 -15.149 -1.241 1.00 0.35 H new ATOM 0 HG21 THR A 84 -0.833 -14.787 -1.226 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.464 -13.600 -0.059 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.521 -13.051 -1.465 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.623 -11.484 2.249 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.378 -11.262 3.473 1.00 0.18 C ATOM 1373 C ASN A 85 -2.554 -10.341 3.206 1.00 0.17 C ATOM 1374 O ASN A 85 -2.559 -9.599 2.225 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.493 -10.642 4.553 1.00 0.21 C ATOM 1376 CG ASN A 85 -0.886 -11.082 5.952 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.053 -11.354 6.232 1.00 0.61 O ATOM 1378 ND2 ASN A 85 0.093 -11.160 6.837 1.00 0.37 N ATOM 0 H ASN A 85 -0.738 -10.758 1.542 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.741 -12.229 3.822 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.546 -10.916 4.368 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.553 -9.556 4.487 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.106 -11.455 7.793 1.00 0.37 H new ATOM 0 HD22 ASN A 85 1.047 -10.925 6.564 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.557 -10.409 4.066 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.683 -9.499 4.002 1.00 0.19 C ATOM 1387 C LYS A 86 -4.246 -8.130 4.512 1.00 0.18 C ATOM 1388 O LYS A 86 -3.116 -7.976 4.973 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.830 -10.042 4.854 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.040 -11.537 4.690 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.283 -12.007 5.414 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.373 -13.521 5.445 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.542 -13.997 6.230 1.00 1.17 N ATOM 0 H LYS A 86 -3.612 -11.092 4.822 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.028 -9.405 2.972 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.631 -9.822 5.903 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.750 -9.521 4.588 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.122 -11.780 3.630 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.171 -12.071 5.073 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.279 -11.621 6.433 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.167 -11.599 4.923 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -7.443 -13.900 4.426 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -6.458 -13.929 5.875 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.564 -15.037 6.224 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.463 -13.658 7.210 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -9.418 -13.630 5.806 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.114 -7.138 4.425 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.798 -5.827 4.973 1.00 0.18 C ATOM 1409 C PHE A 87 -6.061 -5.017 5.219 1.00 0.18 C ATOM 1410 O PHE A 87 -7.051 -5.153 4.499 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.827 -5.063 4.062 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.276 -4.912 2.630 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.177 -3.922 2.267 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.780 -5.749 1.645 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.577 -3.776 0.950 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.174 -5.604 0.329 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.072 -4.619 -0.020 1.00 0.20 C ATOM 0 H PHE A 87 -6.032 -7.211 3.987 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.305 -5.981 5.933 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.665 -4.070 4.482 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.865 -5.575 4.072 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.571 -3.257 3.021 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.076 -6.525 1.909 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.283 -3.004 0.682 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.777 -6.264 -0.428 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.380 -4.507 -1.049 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.035 -4.200 6.264 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.166 -3.353 6.582 1.00 0.20 C ATOM 1429 C CYS A 88 -6.927 -1.964 6.002 1.00 0.20 C ATOM 1430 O CYS A 88 -5.946 -1.300 6.348 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.378 -3.247 8.097 1.00 0.25 C ATOM 1432 SG CYS A 88 -9.096 -2.850 8.565 1.00 0.49 S ATOM 0 H CYS A 88 -5.244 -4.109 6.901 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.062 -3.796 6.147 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.091 -4.190 8.563 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.715 -2.480 8.496 1.00 0.25 H new ATOM 1437 N VAL A 89 -7.799 -1.536 5.108 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.700 -0.209 4.527 1.00 0.22 C ATOM 1439 C VAL A 89 -8.765 0.700 5.112 1.00 0.24 C ATOM 1440 O VAL A 89 -9.870 0.257 5.422 1.00 0.24 O ATOM 1441 CB VAL A 89 -7.830 -0.226 2.987 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.550 -0.744 2.352 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.025 -1.067 2.546 1.00 0.20 C ATOM 0 H VAL A 89 -8.586 -2.089 4.768 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.708 0.170 4.772 1.00 0.22 H new ATOM 0 HB VAL A 89 -7.997 0.797 2.650 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.658 -0.750 1.267 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.718 -0.097 2.630 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.354 -1.757 2.702 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.092 -1.061 1.458 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -8.898 -2.091 2.896 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -9.939 -0.650 2.968 1.00 0.20 H new ATOM 1453 N THR A 90 -8.427 1.962 5.295 1.00 0.26 N ATOM 1454 CA THR A 90 -9.389 2.921 5.785 1.00 0.28 C ATOM 1455 C THR A 90 -10.209 3.448 4.617 1.00 0.25 C ATOM 1456 O THR A 90 -9.705 4.213 3.788 1.00 0.25 O ATOM 1457 CB THR A 90 -8.697 4.090 6.506 1.00 0.33 C ATOM 1458 OG1 THR A 90 -7.752 3.574 7.453 1.00 0.35 O ATOM 1459 CG2 THR A 90 -9.713 4.970 7.223 1.00 0.40 C ATOM 0 H THR A 90 -7.498 2.342 5.112 1.00 0.26 H new ATOM 0 HA THR A 90 -10.039 2.423 6.504 1.00 0.28 H new ATOM 0 HB THR A 90 -8.183 4.699 5.762 1.00 0.33 H new ATOM 0 HG1 THR A 90 -7.309 4.318 7.912 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.196 5.788 7.724 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.418 5.376 6.498 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.253 4.376 7.961 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.453 3.018 4.538 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.319 3.398 3.442 1.00 0.22 C ATOM 1469 C CYS A 91 -13.055 4.692 3.738 1.00 0.25 C ATOM 1470 O CYS A 91 -13.656 4.847 4.801 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.306 2.276 3.173 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.494 0.694 2.812 1.00 0.20 S ATOM 0 H CYS A 91 -11.888 2.402 5.225 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.706 3.568 2.557 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -13.957 2.156 4.039 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -13.942 2.552 2.332 1.00 0.20 H new ATOM 1477 N GLU A 92 -12.989 5.621 2.800 1.00 0.24 N ATOM 1478 CA GLU A 92 -13.678 6.889 2.929 1.00 0.29 C ATOM 1479 C GLU A 92 -14.206 7.322 1.565 1.00 0.27 C ATOM 1480 O GLU A 92 -13.444 7.436 0.605 1.00 0.27 O ATOM 1481 CB GLU A 92 -12.731 7.946 3.496 1.00 0.38 C ATOM 1482 CG GLU A 92 -13.430 9.202 3.977 1.00 0.48 C ATOM 1483 CD GLU A 92 -12.468 10.197 4.582 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.185 10.085 5.793 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -11.991 11.088 3.847 1.00 0.76 O ATOM 0 H GLU A 92 -12.460 5.517 1.934 1.00 0.24 H new ATOM 0 HA GLU A 92 -14.517 6.777 3.615 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.173 7.512 4.326 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.004 8.217 2.730 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -13.953 9.667 3.141 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.185 8.935 4.716 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.516 7.532 1.488 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.188 7.918 0.244 1.00 0.31 C ATOM 1494 C ASN A 93 -15.962 6.876 -0.846 1.00 0.28 C ATOM 1495 O ASN A 93 -15.768 7.214 -2.014 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.728 9.302 -0.238 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.132 10.415 0.710 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -15.194 10.874 1.522 1.00 0.69 O flip ATOM 1499 ND2 ASN A 93 -17.269 10.885 0.688 1.00 0.65 N flip ATOM 0 H ASN A 93 -16.146 7.440 2.285 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.256 7.972 0.456 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.644 9.301 -0.350 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.150 9.498 -1.223 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -17.966 10.504 0.048 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -17.515 11.655 1.310 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.004 5.605 -0.441 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.884 4.464 -1.351 1.00 0.25 C ATOM 1508 C GLN A 94 -14.498 4.385 -1.978 1.00 0.22 C ATOM 1509 O GLN A 94 -14.330 3.885 -3.094 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.958 4.512 -2.437 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.373 4.434 -1.890 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.409 4.205 -2.970 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.555 4.634 -2.853 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -19.016 3.516 -4.026 1.00 0.48 N ATOM 0 H GLN A 94 -16.123 5.337 0.536 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.033 3.563 -0.756 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.847 5.435 -3.007 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.799 3.687 -3.132 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.431 3.626 -1.160 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.605 5.359 -1.361 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -18.056 3.177 -4.085 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.673 3.323 -4.782 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.508 4.865 -1.250 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.126 4.781 -1.688 1.00 0.19 C ATOM 1525 C ALA A 95 -11.189 4.637 -0.496 1.00 0.17 C ATOM 1526 O ALA A 95 -11.350 5.325 0.511 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.760 6.010 -2.505 1.00 0.21 C ATOM 0 H ALA A 95 -13.636 5.320 -0.346 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.016 3.896 -2.315 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.722 5.936 -2.828 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.408 6.072 -3.379 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.887 6.904 -1.894 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.237 3.699 -0.578 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.171 3.569 0.419 1.00 0.17 C ATOM 1535 C PRO A 96 -8.323 4.837 0.502 1.00 0.19 C ATOM 1536 O PRO A 96 -7.589 5.166 -0.428 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.325 2.396 -0.089 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.196 1.660 -1.050 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.152 2.668 -1.624 1.00 0.17 C ATOM 0 HA PRO A 96 -9.568 3.408 1.421 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.416 2.750 -0.576 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.016 1.751 0.733 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.600 1.199 -1.838 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.735 0.857 -0.547 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.784 3.080 -2.564 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.126 2.225 -1.830 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.443 5.563 1.606 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.726 6.824 1.758 1.00 0.24 C ATOM 1549 C VAL A 97 -6.500 6.670 2.652 1.00 0.27 C ATOM 1550 O VAL A 97 -5.525 7.405 2.515 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.636 7.936 2.325 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.801 8.209 1.389 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.140 7.569 3.707 1.00 0.35 C ATOM 0 H VAL A 97 -9.024 5.304 2.403 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.400 7.113 0.759 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.042 8.846 2.408 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.428 8.995 1.809 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.421 8.527 0.418 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.391 7.300 1.268 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -9.779 8.367 4.085 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -9.712 6.643 3.652 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.293 7.433 4.379 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.550 5.716 3.570 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.454 5.505 4.503 1.00 0.35 C ATOM 1565 C HIS A 98 -5.250 4.023 4.771 1.00 0.31 C ATOM 1566 O HIS A 98 -6.155 3.218 4.553 1.00 0.31 O ATOM 1567 CB HIS A 98 -5.699 6.259 5.815 1.00 0.42 C ATOM 1568 CG HIS A 98 -5.392 7.723 5.728 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -4.112 8.224 5.815 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -6.202 8.793 5.546 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -4.147 9.536 5.689 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -5.401 9.909 5.524 1.00 0.82 N ATOM 0 H HIS A 98 -7.336 5.077 3.688 1.00 0.30 H new ATOM 0 HA HIS A 98 -4.546 5.899 4.047 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -6.741 6.131 6.110 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.088 5.814 6.601 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -7.276 8.773 5.438 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -3.292 10.195 5.716 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -5.723 10.869 5.400 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.061 3.667 5.232 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.729 2.273 5.481 1.00 0.29 C ATOM 1583 C PHE A 99 -3.683 2.000 6.981 1.00 0.29 C ATOM 1584 O PHE A 99 -3.218 2.834 7.756 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.386 1.928 4.830 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.087 0.457 4.800 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.784 -0.388 3.953 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.113 -0.078 5.626 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.511 -1.742 3.929 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.837 -1.429 5.606 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.533 -2.262 4.731 1.00 0.31 C ATOM 0 H PHE A 99 -3.310 4.324 5.441 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.501 1.642 5.040 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.378 2.312 3.810 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.589 2.440 5.369 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.548 0.015 3.305 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.564 0.570 6.293 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.072 -2.392 3.274 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.086 -1.840 6.265 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.300 -3.316 4.687 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.180 0.838 7.385 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.219 0.469 8.795 1.00 0.28 C ATOM 1603 C VAL A 100 -3.100 -0.519 9.133 1.00 0.28 C ATOM 1604 O VAL A 100 -2.142 -0.175 9.826 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.590 -0.143 9.160 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.626 -0.582 10.613 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.714 0.844 8.872 1.00 0.29 C ATOM 0 H VAL A 100 -4.563 0.133 6.755 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.070 1.376 9.381 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.737 -1.026 8.538 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.603 -1.008 10.840 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.854 -1.332 10.786 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.447 0.279 11.258 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.671 0.393 9.136 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.564 1.748 9.462 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.713 1.098 7.812 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.229 -1.742 8.637 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.212 -2.753 8.852 1.00 0.29 C ATOM 1619 C GLY A 101 -2.518 -4.001 8.063 1.00 0.25 C ATOM 1620 O GLY A 101 -3.608 -4.118 7.499 1.00 0.28 O ATOM 0 H GLY A 101 -4.028 -2.054 8.085 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.238 -2.362 8.559 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.152 -2.994 9.913 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.579 -4.934 8.018 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.779 -6.152 7.250 1.00 0.22 C ATOM 1626 C VAL A 102 -2.236 -7.284 8.161 1.00 0.24 C ATOM 1627 O VAL A 102 -2.002 -7.258 9.372 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.516 -6.576 6.459 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.250 -5.363 5.958 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.382 -7.500 7.266 1.00 0.25 C ATOM 0 H VAL A 102 -0.681 -4.872 8.498 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.556 -5.939 6.516 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.857 -7.142 5.592 1.00 0.24 H new ATOM 0 HG11 VAL A 102 1.131 -5.691 5.407 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.390 -4.774 5.301 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.559 -4.752 6.806 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.254 -7.771 6.671 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.706 -6.991 8.174 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.169 -8.402 7.533 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.909 -8.256 7.578 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.440 -9.366 8.339 1.00 0.29 C ATOM 1642 C GLY A 103 -4.843 -9.081 8.825 1.00 0.28 C ATOM 1643 O GLY A 103 -5.801 -9.738 8.419 1.00 0.34 O ATOM 0 H GLY A 103 -3.101 -8.298 6.577 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.443 -10.264 7.721 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.792 -9.568 9.192 1.00 0.29 H new ATOM 1647 N SER A 104 -4.956 -8.083 9.684 1.00 0.33 N ATOM 1648 CA SER A 104 -6.236 -7.644 10.211 1.00 0.32 C ATOM 1649 C SER A 104 -6.051 -6.274 10.833 1.00 0.39 C ATOM 1650 O SER A 104 -4.928 -5.776 10.920 1.00 0.59 O ATOM 1651 CB SER A 104 -6.763 -8.630 11.257 1.00 0.45 C ATOM 1652 OG SER A 104 -8.136 -8.404 11.540 1.00 1.38 O ATOM 0 H SER A 104 -4.159 -7.552 10.037 1.00 0.33 H new ATOM 0 HA SER A 104 -6.966 -7.597 9.403 1.00 0.32 H new ATOM 0 HB2 SER A 104 -6.628 -9.650 10.898 1.00 0.45 H new ATOM 0 HB3 SER A 104 -6.181 -8.535 12.174 1.00 0.45 H new ATOM 0 HG SER A 104 -8.443 -9.050 12.210 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.134 -5.662 11.260 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.040 -4.384 11.930 1.00 0.53 C ATOM 1660 C CYS A 105 -7.605 -4.467 13.339 1.00 0.48 C ATOM 1661 O CYS A 105 -6.822 -4.718 14.274 1.00 1.10 O ATOM 1662 CB CYS A 105 -7.725 -3.289 11.129 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.295 -3.758 10.357 1.00 1.01 S ATOM 1664 OXT CYS A 105 -8.833 -4.314 13.505 1.00 1.20 O ATOM 0 H CYS A 105 -8.082 -6.025 11.157 1.00 0.39 H new ATOM 0 HA CYS A 105 -5.984 -4.125 12.006 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -7.903 -2.438 11.787 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -7.042 -2.952 10.349 1.00 0.82 H new TER 1669 CYS A 105