USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 704 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 70 CYS SG : rot 180:sc= -3.47 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -113:sc= -0.338 (180deg=-1.25) USER MOD Set 1.3: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -2.89! C(o=-3.7!,f=-3.8!) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= -0.804 F(o=-4.6!,f=-3.7) USER MOD Single : A 26 GLN : amide:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc=-0.00506 (180deg=-0.153) USER MOD Single : A 28 ASN : amide:sc= -7.47! C(o=-7.5!,f=-7.7!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 69:sc= 0.596 USER MOD Single : A 51 THR OG1 : rot -169:sc= -4.04 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-7.9!) USER MOD Single : A 68 MET CE :methyl 158:sc= -5.65! (180deg=-6.99!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 166:sc= 0.862 USER MOD Single : A 88 TYR OH : rot 180:sc=-0.00462 USER MOD Single : A 93 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.865) USER MOD Single : A 96 MET CE :methyl -118:sc= -0.906 (180deg=-2.33!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.258 F(o=-1.2,f=-0.26) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -123:sc= -0.493 (180deg=-2.11!) USER MOD Single : A 112 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-5.8!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.369 K(o=-0.37,f=-2.4!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 52:sc= -10! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 ASN : amide:sc= -0.464 K(o=-0.46,f=-3.2!) USER MOD Single : A 138 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -1.85 K(o=-1.8,f=-6.6!) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 96:sc= 1.01 USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N GLN A 26 -8.675 8.263 -7.732 1.00 0.00 N ATOM 61 CA GLN A 26 -8.572 7.980 -9.153 1.00 0.00 C ATOM 62 C GLN A 26 -7.525 8.888 -9.801 1.00 0.00 C ATOM 63 O GLN A 26 -6.878 8.499 -10.773 1.00 0.00 O ATOM 64 CB GLN A 26 -9.930 8.131 -9.842 1.00 0.00 C ATOM 65 CG GLN A 26 -10.669 6.792 -9.892 1.00 0.00 C ATOM 66 CD GLN A 26 -10.978 6.391 -11.337 1.00 0.00 C ATOM 67 OE1 GLN A 26 -11.837 6.955 -11.996 1.00 0.00 O ATOM 68 NE2 GLN A 26 -10.232 5.387 -11.791 1.00 0.00 N ATOM 0 HA GLN A 26 -8.252 6.945 -9.275 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.534 8.864 -9.308 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.789 8.511 -10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.063 6.020 -9.418 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.597 6.863 -9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.530 4.959 -11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.362 5.045 -12.743 1.00 0.00 H new ATOM 75 N LYS A 27 -7.390 10.079 -9.237 1.00 0.00 N ATOM 76 CA LYS A 27 -6.432 11.044 -9.748 1.00 0.00 C ATOM 77 C LYS A 27 -5.098 10.867 -9.020 1.00 0.00 C ATOM 78 O LYS A 27 -4.402 11.844 -8.745 1.00 0.00 O ATOM 79 CB LYS A 27 -6.999 12.463 -9.656 1.00 0.00 C ATOM 80 CG LYS A 27 -7.883 12.779 -10.863 1.00 0.00 C ATOM 81 CD LYS A 27 -8.922 11.677 -11.086 1.00 0.00 C ATOM 82 CE LYS A 27 -9.932 11.635 -9.938 1.00 0.00 C ATOM 83 NZ LYS A 27 -10.823 12.816 -9.987 1.00 0.00 N ATOM 0 H LYS A 27 -7.928 10.398 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.244 10.869 -10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.578 12.568 -8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.182 13.182 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.387 13.733 -10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.264 12.886 -11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.443 11.849 -12.028 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.422 10.712 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.525 10.722 -10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.406 11.609 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.640 12.661 -9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.301 13.658 -9.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.156 12.960 -10.962 1.00 0.00 H new ATOM 93 N ASN A 28 -4.781 9.615 -8.729 1.00 0.00 N ATOM 94 CA ASN A 28 -3.543 9.296 -8.038 1.00 0.00 C ATOM 95 C ASN A 28 -3.295 7.789 -8.112 1.00 0.00 C ATOM 96 O ASN A 28 -2.605 7.228 -7.261 1.00 0.00 O ATOM 97 CB ASN A 28 -3.618 9.693 -6.562 1.00 0.00 C ATOM 98 CG ASN A 28 -2.367 10.463 -6.136 1.00 0.00 C ATOM 99 OD1 ASN A 28 -1.743 10.176 -5.128 1.00 0.00 O ATOM 100 ND2 ASN A 28 -2.038 11.455 -6.958 1.00 0.00 N ATOM 0 H ASN A 28 -5.361 8.808 -8.959 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.736 9.849 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.502 10.307 -6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.726 8.800 -5.947 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.219 12.030 -6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.605 11.641 -7.785 1.00 0.00 H new ATOM 106 N ILE A 29 -3.872 7.176 -9.135 1.00 0.00 N ATOM 107 CA ILE A 29 -3.722 5.744 -9.330 1.00 0.00 C ATOM 108 C ILE A 29 -3.050 5.484 -10.680 1.00 0.00 C ATOM 109 O ILE A 29 -2.046 6.115 -11.009 1.00 0.00 O ATOM 110 CB ILE A 29 -5.069 5.038 -9.168 1.00 0.00 C ATOM 111 CG1 ILE A 29 -6.195 5.850 -9.809 1.00 0.00 C ATOM 112 CG2 ILE A 29 -5.352 4.727 -7.697 1.00 0.00 C ATOM 113 CD1 ILE A 29 -6.008 5.946 -11.325 1.00 0.00 C ATOM 0 H ILE A 29 -4.444 7.645 -9.837 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.072 5.322 -8.564 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.020 4.085 -9.695 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.155 5.385 -9.586 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.217 6.851 -9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.316 4.225 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.569 4.078 -7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.374 5.655 -7.126 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.822 6.529 -11.756 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.058 6.433 -11.544 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.011 4.945 -11.756 1.00 0.00 H new ATOM 124 N ASP A 30 -3.631 4.556 -11.425 1.00 0.00 N ATOM 125 CA ASP A 30 -3.102 4.206 -12.733 1.00 0.00 C ATOM 126 C ASP A 30 -4.128 3.356 -13.483 1.00 0.00 C ATOM 127 O ASP A 30 -4.884 3.871 -14.305 1.00 0.00 O ATOM 128 CB ASP A 30 -1.814 3.389 -12.604 1.00 0.00 C ATOM 129 CG ASP A 30 -1.537 2.432 -13.766 1.00 0.00 C ATOM 130 OD1 ASP A 30 -1.756 2.862 -14.919 1.00 0.00 O ATOM 131 OD2 ASP A 30 -1.114 1.293 -13.473 1.00 0.00 O ATOM 0 H ASP A 30 -4.463 4.035 -11.148 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.891 5.131 -13.270 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.973 4.076 -12.511 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.858 2.812 -11.680 1.00 0.00 H new ATOM 135 N GLY A 31 -4.122 2.068 -13.174 1.00 0.00 N ATOM 136 CA GLY A 31 -5.044 1.141 -13.808 1.00 0.00 C ATOM 137 C GLY A 31 -6.220 0.818 -12.884 1.00 0.00 C ATOM 138 O GLY A 31 -6.996 -0.096 -13.159 1.00 0.00 O ATOM 0 H GLY A 31 -3.493 1.644 -12.492 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.415 1.571 -14.738 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.519 0.222 -14.069 1.00 0.00 H new ATOM 142 N TRP A 32 -6.315 1.585 -11.808 1.00 0.00 N ATOM 143 CA TRP A 32 -7.383 1.391 -10.842 1.00 0.00 C ATOM 144 C TRP A 32 -7.796 -0.081 -10.883 1.00 0.00 C ATOM 145 O TRP A 32 -7.146 -0.929 -10.273 1.00 0.00 O ATOM 146 CB TRP A 32 -8.546 2.347 -11.112 1.00 0.00 C ATOM 147 CG TRP A 32 -9.768 2.106 -10.224 1.00 0.00 C ATOM 148 CD1 TRP A 32 -10.881 1.421 -10.520 1.00 0.00 C ATOM 149 CD2 TRP A 32 -9.956 2.582 -8.874 1.00 0.00 C ATOM 150 NE1 TRP A 32 -11.769 1.419 -9.463 1.00 0.00 N ATOM 151 CE2 TRP A 32 -11.189 2.147 -8.431 1.00 0.00 C ATOM 152 CE3 TRP A 32 -9.113 3.352 -8.055 1.00 0.00 C ATOM 153 CZ2 TRP A 32 -11.690 2.434 -7.156 1.00 0.00 C ATOM 154 CZ3 TRP A 32 -9.628 3.630 -6.783 1.00 0.00 C ATOM 155 CH2 TRP A 32 -10.866 3.200 -6.322 1.00 0.00 C ATOM 0 H TRP A 32 -5.670 2.342 -11.584 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.040 1.628 -9.835 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.202 3.371 -10.969 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.844 2.254 -12.156 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.061 0.932 -11.466 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.683 0.966 -9.443 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.145 3.702 -8.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.659 2.084 -6.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.020 4.220 -6.113 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.192 3.455 -5.324 1.00 0.00 H new ATOM 300 N PHE A 44 -11.489 2.419 2.644 1.00 0.00 N ATOM 301 CA PHE A 44 -10.110 2.667 3.029 1.00 0.00 C ATOM 302 C PHE A 44 -9.826 2.121 4.430 1.00 0.00 C ATOM 303 O PHE A 44 -10.071 2.798 5.426 1.00 0.00 O ATOM 304 CB PHE A 44 -9.914 4.184 3.037 1.00 0.00 C ATOM 305 CG PHE A 44 -9.613 4.780 1.660 1.00 0.00 C ATOM 306 CD1 PHE A 44 -8.373 4.642 1.116 1.00 0.00 C ATOM 307 CD2 PHE A 44 -10.583 5.446 0.980 1.00 0.00 C ATOM 308 CE1 PHE A 44 -8.093 5.195 -0.161 1.00 0.00 C ATOM 309 CE2 PHE A 44 -10.303 5.998 -0.298 1.00 0.00 C ATOM 310 CZ PHE A 44 -9.064 5.862 -0.842 1.00 0.00 C ATOM 0 HA PHE A 44 -9.434 2.173 2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.813 4.654 3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.097 4.431 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.602 4.112 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.567 5.555 1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.109 5.086 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.075 6.526 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.851 6.283 -1.814 1.00 0.00 H new ATOM 319 N ILE A 45 -9.312 0.899 4.460 1.00 0.00 N ATOM 320 CA ILE A 45 -8.992 0.253 5.723 1.00 0.00 C ATOM 321 C ILE A 45 -7.976 1.108 6.484 1.00 0.00 C ATOM 322 O ILE A 45 -8.303 1.698 7.513 1.00 0.00 O ATOM 323 CB ILE A 45 -8.531 -1.185 5.486 1.00 0.00 C ATOM 324 CG1 ILE A 45 -9.725 -2.139 5.408 1.00 0.00 C ATOM 325 CG2 ILE A 45 -7.519 -1.619 6.550 1.00 0.00 C ATOM 326 CD1 ILE A 45 -9.291 -3.583 5.664 1.00 0.00 C ATOM 0 H ILE A 45 -9.109 0.340 3.631 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.880 0.179 6.350 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.023 -1.226 4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.477 -1.846 6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.191 -2.064 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.207 -2.646 6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.649 -0.963 6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.979 -1.558 7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.159 -4.240 5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.557 -3.880 4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.848 -3.659 6.657 1.00 0.00 H new ATOM 337 N MET A 46 -6.765 1.149 5.948 1.00 0.00 N ATOM 338 CA MET A 46 -5.699 1.920 6.564 1.00 0.00 C ATOM 339 C MET A 46 -5.068 2.884 5.557 1.00 0.00 C ATOM 340 O MET A 46 -4.920 2.551 4.382 1.00 0.00 O ATOM 341 CB MET A 46 -4.628 0.972 7.105 1.00 0.00 C ATOM 342 CG MET A 46 -5.242 -0.079 8.031 1.00 0.00 C ATOM 343 SD MET A 46 -4.479 0.006 9.642 1.00 0.00 S ATOM 344 CE MET A 46 -5.319 1.435 10.308 1.00 0.00 C ATOM 0 H MET A 46 -6.498 0.660 5.093 1.00 0.00 H new ATOM 0 HA MET A 46 -6.124 2.504 7.381 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.121 0.479 6.275 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.873 1.542 7.646 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.316 0.085 8.119 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.105 -1.074 7.607 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.959 1.631 11.318 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.119 2.301 9.677 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.392 1.246 10.336 1.00 0.00 H new ATOM 352 N GLU A 47 -4.712 4.059 6.054 1.00 0.00 N ATOM 353 CA GLU A 47 -4.099 5.073 5.213 1.00 0.00 C ATOM 354 C GLU A 47 -2.689 5.395 5.710 1.00 0.00 C ATOM 355 O GLU A 47 -2.506 5.776 6.865 1.00 0.00 O ATOM 356 CB GLU A 47 -4.964 6.336 5.158 1.00 0.00 C ATOM 357 CG GLU A 47 -6.442 5.982 4.985 1.00 0.00 C ATOM 358 CD GLU A 47 -7.188 6.075 6.318 1.00 0.00 C ATOM 359 OE1 GLU A 47 -6.603 5.629 7.329 1.00 0.00 O ATOM 360 OE2 GLU A 47 -8.326 6.593 6.296 1.00 0.00 O ATOM 0 H GLU A 47 -4.836 4.332 7.029 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.024 4.679 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.829 6.913 6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.639 6.968 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.899 6.656 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.533 4.973 4.583 1.00 0.00 H new ATOM 365 N GLY A 48 -1.728 5.230 4.813 1.00 0.00 N ATOM 366 CA GLY A 48 -0.339 5.498 5.145 1.00 0.00 C ATOM 367 C GLY A 48 0.537 5.486 3.892 1.00 0.00 C ATOM 368 O GLY A 48 0.182 4.872 2.887 1.00 0.00 O ATOM 0 H GLY A 48 -1.884 4.914 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.260 6.467 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.021 4.750 5.851 1.00 0.00 H new ATOM 372 N THR A 49 1.666 6.173 3.992 1.00 0.00 N ATOM 373 CA THR A 49 2.596 6.251 2.878 1.00 0.00 C ATOM 374 C THR A 49 3.869 5.460 3.190 1.00 0.00 C ATOM 375 O THR A 49 4.467 5.635 4.251 1.00 0.00 O ATOM 376 CB THR A 49 2.856 7.728 2.580 1.00 0.00 C ATOM 377 OG1 THR A 49 4.226 7.769 2.192 1.00 0.00 O ATOM 378 CG2 THR A 49 2.799 8.598 3.838 1.00 0.00 C ATOM 0 H THR A 49 1.958 6.681 4.827 1.00 0.00 H new ATOM 0 HA THR A 49 2.178 5.794 1.981 1.00 0.00 H new ATOM 0 HB THR A 49 2.123 8.086 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.334 7.327 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.990 9.637 3.571 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.812 8.516 4.293 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.554 8.261 4.548 1.00 0.00 H new ATOM 386 N LEU A 50 4.244 4.609 2.248 1.00 0.00 N ATOM 387 CA LEU A 50 5.435 3.792 2.409 1.00 0.00 C ATOM 388 C LEU A 50 6.352 3.989 1.200 1.00 0.00 C ATOM 389 O LEU A 50 5.893 4.376 0.125 1.00 0.00 O ATOM 390 CB LEU A 50 5.054 2.331 2.660 1.00 0.00 C ATOM 391 CG LEU A 50 4.083 2.082 3.816 1.00 0.00 C ATOM 392 CD1 LEU A 50 2.678 2.578 3.470 1.00 0.00 C ATOM 393 CD2 LEU A 50 4.085 0.607 4.225 1.00 0.00 C ATOM 0 H LEU A 50 3.745 4.467 1.370 1.00 0.00 H new ATOM 0 HA LEU A 50 5.995 4.107 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.613 1.929 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.966 1.765 2.849 1.00 0.00 H new ATOM 0 HG LEU A 50 4.424 2.657 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.008 2.389 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.710 3.648 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.313 2.051 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.387 0.457 5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.783 -0.006 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.087 0.319 4.542 1.00 0.00 H new ATOM 404 N THR A 51 7.629 3.713 1.414 1.00 0.00 N ATOM 405 CA THR A 51 8.614 3.855 0.355 1.00 0.00 C ATOM 406 C THR A 51 9.161 2.485 -0.051 1.00 0.00 C ATOM 407 O THR A 51 9.430 1.641 0.802 1.00 0.00 O ATOM 408 CB THR A 51 9.697 4.821 0.842 1.00 0.00 C ATOM 409 OG1 THR A 51 9.416 6.034 0.148 1.00 0.00 O ATOM 410 CG2 THR A 51 11.093 4.428 0.356 1.00 0.00 C ATOM 0 H THR A 51 8.005 3.391 2.306 1.00 0.00 H new ATOM 0 HA THR A 51 8.167 4.273 -0.547 1.00 0.00 H new ATOM 0 HB THR A 51 9.689 4.857 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.162 6.659 0.266 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.824 5.146 0.729 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.340 3.433 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.111 4.425 -0.734 1.00 0.00 H new ATOM 418 N ARG A 52 9.308 2.306 -1.356 1.00 0.00 N ATOM 419 CA ARG A 52 9.818 1.053 -1.887 1.00 0.00 C ATOM 420 C ARG A 52 11.344 1.100 -1.984 1.00 0.00 C ATOM 421 O ARG A 52 11.893 1.576 -2.977 1.00 0.00 O ATOM 422 CB ARG A 52 9.234 0.763 -3.272 1.00 0.00 C ATOM 423 CG ARG A 52 8.748 -0.683 -3.369 1.00 0.00 C ATOM 424 CD ARG A 52 8.229 -0.994 -4.775 1.00 0.00 C ATOM 425 NE ARG A 52 9.352 -1.003 -5.738 1.00 0.00 N ATOM 426 CZ ARG A 52 10.209 -2.023 -5.884 1.00 0.00 C ATOM 427 NH1 ARG A 52 10.076 -3.121 -5.129 1.00 0.00 N ATOM 428 NH2 ARG A 52 11.199 -1.943 -6.783 1.00 0.00 N ATOM 0 H ARG A 52 9.083 3.008 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 52 9.518 0.257 -1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.406 1.443 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.989 0.949 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.564 -1.362 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.957 -0.854 -2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.727 -1.961 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.490 -0.249 -5.072 1.00 0.00 H new ATOM 0 HE ARG A 52 9.482 -0.181 -6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.323 -3.180 -4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.728 -3.898 -5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.301 -1.106 -7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.851 -2.719 -6.894 1.00 0.00 H new ATOM 439 N VAL A 53 11.987 0.599 -0.939 1.00 0.00 N ATOM 440 CA VAL A 53 13.439 0.577 -0.894 1.00 0.00 C ATOM 441 C VAL A 53 13.952 -0.623 -1.693 1.00 0.00 C ATOM 442 O VAL A 53 14.326 -1.642 -1.115 1.00 0.00 O ATOM 443 CB VAL A 53 13.917 0.577 0.559 1.00 0.00 C ATOM 444 CG1 VAL A 53 15.193 -0.254 0.717 1.00 0.00 C ATOM 445 CG2 VAL A 53 14.128 2.005 1.067 1.00 0.00 C ATOM 0 H VAL A 53 11.529 0.205 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 53 13.849 1.474 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 53 13.139 0.116 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.511 -0.237 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.997 -1.283 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.980 0.165 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.468 1.976 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.878 2.503 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.188 2.555 1.008 1.00 0.00 H new ATOM 455 N GLY A 54 13.952 -0.462 -3.007 1.00 0.00 N ATOM 456 CA GLY A 54 14.414 -1.519 -3.890 1.00 0.00 C ATOM 457 C GLY A 54 14.524 -1.020 -5.332 1.00 0.00 C ATOM 458 O GLY A 54 14.374 -1.795 -6.276 1.00 0.00 O ATOM 0 H GLY A 54 13.639 0.385 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.385 -1.882 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.725 -2.362 -3.845 1.00 0.00 H new ATOM 462 N ALA A 55 14.789 0.272 -5.459 1.00 0.00 N ATOM 463 CA ALA A 55 14.922 0.884 -6.769 1.00 0.00 C ATOM 464 C ALA A 55 14.784 2.403 -6.636 1.00 0.00 C ATOM 465 O ALA A 55 15.248 3.150 -7.495 1.00 0.00 O ATOM 466 CB ALA A 55 13.884 0.286 -7.721 1.00 0.00 C ATOM 0 H ALA A 55 14.915 0.912 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 55 15.907 0.678 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.984 0.746 -8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.044 -0.789 -7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.883 0.474 -7.333 1.00 0.00 H new ATOM 472 N LYS A 56 14.143 2.813 -5.551 1.00 0.00 N ATOM 473 CA LYS A 56 13.938 4.228 -5.294 1.00 0.00 C ATOM 474 C LYS A 56 12.514 4.614 -5.697 1.00 0.00 C ATOM 475 O LYS A 56 12.302 5.198 -6.759 1.00 0.00 O ATOM 476 CB LYS A 56 15.020 5.061 -5.984 1.00 0.00 C ATOM 477 CG LYS A 56 15.231 6.392 -5.261 1.00 0.00 C ATOM 478 CD LYS A 56 14.679 7.557 -6.086 1.00 0.00 C ATOM 479 CE LYS A 56 15.813 8.386 -6.691 1.00 0.00 C ATOM 480 NZ LYS A 56 16.154 9.522 -5.805 1.00 0.00 N ATOM 0 H LYS A 56 13.759 2.190 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 56 14.037 4.440 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.956 4.502 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.736 5.247 -7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.738 6.364 -4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.294 6.545 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.040 7.173 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.057 8.191 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.691 7.758 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.516 8.758 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.926 10.075 -6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.319 10.130 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.457 9.161 -4.878 1.00 0.00 H new ATOM 490 N HIS A 57 11.573 4.272 -4.830 1.00 0.00 N ATOM 491 CA HIS A 57 10.174 4.576 -5.083 1.00 0.00 C ATOM 492 C HIS A 57 9.493 4.982 -3.775 1.00 0.00 C ATOM 493 O HIS A 57 9.687 4.341 -2.744 1.00 0.00 O ATOM 494 CB HIS A 57 9.480 3.400 -5.773 1.00 0.00 C ATOM 495 CG HIS A 57 9.870 3.221 -7.221 1.00 0.00 C ATOM 496 ND1 HIS A 57 9.100 3.697 -8.269 1.00 0.00 N ATOM 497 CD2 HIS A 57 10.954 2.614 -7.784 1.00 0.00 C ATOM 498 CE1 HIS A 57 9.704 3.385 -9.406 1.00 0.00 C ATOM 499 NE2 HIS A 57 10.852 2.713 -9.104 1.00 0.00 N ATOM 0 H HIS A 57 11.751 3.787 -3.951 1.00 0.00 H new ATOM 0 HA HIS A 57 10.099 5.420 -5.768 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.712 2.484 -5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.401 3.542 -5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.759 2.134 -7.247 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.350 3.621 -10.398 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.522 2.347 -9.781 1.00 0.00 H new ATOM 506 N GLU A 58 8.707 6.046 -3.861 1.00 0.00 N ATOM 507 CA GLU A 58 7.996 6.547 -2.697 1.00 0.00 C ATOM 508 C GLU A 58 6.611 7.056 -3.100 1.00 0.00 C ATOM 509 O GLU A 58 6.457 7.685 -4.145 1.00 0.00 O ATOM 510 CB GLU A 58 8.798 7.642 -1.992 1.00 0.00 C ATOM 511 CG GLU A 58 8.051 8.164 -0.762 1.00 0.00 C ATOM 512 CD GLU A 58 8.970 9.013 0.117 1.00 0.00 C ATOM 513 OE1 GLU A 58 9.958 9.541 -0.437 1.00 0.00 O ATOM 514 OE2 GLU A 58 8.665 9.115 1.325 1.00 0.00 O ATOM 0 H GLU A 58 8.547 6.575 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 58 7.870 5.725 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.770 7.250 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.985 8.463 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.193 8.758 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.663 7.325 -0.185 1.00 0.00 H new ATOM 519 N ARG A 59 5.637 6.763 -2.250 1.00 0.00 N ATOM 520 CA ARG A 59 4.270 7.184 -2.505 1.00 0.00 C ATOM 521 C ARG A 59 3.371 6.812 -1.324 1.00 0.00 C ATOM 522 O ARG A 59 3.852 6.321 -0.304 1.00 0.00 O ATOM 523 CB ARG A 59 3.722 6.533 -3.778 1.00 0.00 C ATOM 524 CG ARG A 59 2.771 7.482 -4.512 1.00 0.00 C ATOM 525 CD ARG A 59 3.267 8.927 -4.431 1.00 0.00 C ATOM 526 NE ARG A 59 2.661 9.605 -3.263 1.00 0.00 N ATOM 527 CZ ARG A 59 3.206 10.659 -2.641 1.00 0.00 C ATOM 528 NH1 ARG A 59 4.371 11.162 -3.070 1.00 0.00 N ATOM 529 NH2 ARG A 59 2.585 11.211 -1.589 1.00 0.00 N ATOM 0 H ARG A 59 5.768 6.239 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 59 4.275 8.266 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.547 6.259 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.198 5.612 -3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.686 7.181 -5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.774 7.411 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.354 8.943 -4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.009 9.461 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 59 1.773 9.248 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.844 10.743 -3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.785 11.964 -2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.698 10.829 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.000 12.013 -1.115 1.00 0.00 H new ATOM 540 N HIS A 60 2.082 7.061 -1.501 1.00 0.00 N ATOM 541 CA HIS A 60 1.112 6.759 -0.462 1.00 0.00 C ATOM 542 C HIS A 60 0.544 5.355 -0.683 1.00 0.00 C ATOM 543 O HIS A 60 0.405 4.910 -1.821 1.00 0.00 O ATOM 544 CB HIS A 60 0.027 7.835 -0.403 1.00 0.00 C ATOM 545 CG HIS A 60 -0.342 8.260 0.999 1.00 0.00 C ATOM 546 ND1 HIS A 60 -0.949 7.408 1.905 1.00 0.00 N ATOM 547 CD2 HIS A 60 -0.181 9.453 1.640 1.00 0.00 C ATOM 548 CE1 HIS A 60 -1.142 8.070 3.037 1.00 0.00 C ATOM 549 NE2 HIS A 60 -0.666 9.337 2.871 1.00 0.00 N ATOM 0 H HIS A 60 1.687 7.468 -2.348 1.00 0.00 H new ATOM 0 HA HIS A 60 1.602 6.766 0.512 1.00 0.00 H new ATOM 0 HB2 HIS A 60 0.366 8.709 -0.959 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.866 7.464 -0.906 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -1.204 6.436 1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.265 10.341 1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.597 7.675 3.934 1.00 0.00 H new ATOM 556 N ILE A 61 0.230 4.698 0.424 1.00 0.00 N ATOM 557 CA ILE A 61 -0.320 3.354 0.366 1.00 0.00 C ATOM 558 C ILE A 61 -1.667 3.327 1.091 1.00 0.00 C ATOM 559 O ILE A 61 -1.737 3.606 2.287 1.00 0.00 O ATOM 560 CB ILE A 61 0.689 2.339 0.904 1.00 0.00 C ATOM 561 CG1 ILE A 61 2.041 2.482 0.201 1.00 0.00 C ATOM 562 CG2 ILE A 61 0.140 0.914 0.806 1.00 0.00 C ATOM 563 CD1 ILE A 61 1.880 2.390 -1.318 1.00 0.00 C ATOM 0 H ILE A 61 0.346 5.071 1.366 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.509 3.064 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 61 0.852 2.549 1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.493 3.438 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.719 1.702 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.878 0.212 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.778 0.837 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.072 0.677 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.855 2.495 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.450 1.423 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.220 3.186 -1.663 1.00 0.00 H new ATOM 574 N PHE A 62 -2.703 2.988 0.337 1.00 0.00 N ATOM 575 CA PHE A 62 -4.043 2.922 0.893 1.00 0.00 C ATOM 576 C PHE A 62 -4.669 1.546 0.651 1.00 0.00 C ATOM 577 O PHE A 62 -4.996 1.200 -0.483 1.00 0.00 O ATOM 578 CB PHE A 62 -4.879 3.983 0.176 1.00 0.00 C ATOM 579 CG PHE A 62 -4.596 5.414 0.636 1.00 0.00 C ATOM 580 CD1 PHE A 62 -3.595 6.129 0.058 1.00 0.00 C ATOM 581 CD2 PHE A 62 -5.347 5.971 1.623 1.00 0.00 C ATOM 582 CE1 PHE A 62 -3.332 7.458 0.485 1.00 0.00 C ATOM 583 CE2 PHE A 62 -5.085 7.299 2.051 1.00 0.00 C ATOM 584 CZ PHE A 62 -4.084 8.015 1.473 1.00 0.00 C ATOM 0 H PHE A 62 -2.641 2.756 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.008 3.092 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.694 3.914 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.935 3.765 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.999 5.686 -0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.143 5.403 2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.536 8.026 0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.681 7.741 2.836 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.886 9.026 1.798 1.00 0.00 H new ATOM 593 N LEU A 63 -4.817 0.800 1.735 1.00 0.00 N ATOM 594 CA LEU A 63 -5.398 -0.530 1.655 1.00 0.00 C ATOM 595 C LEU A 63 -6.907 -0.437 1.889 1.00 0.00 C ATOM 596 O LEU A 63 -7.351 0.161 2.868 1.00 0.00 O ATOM 597 CB LEU A 63 -4.685 -1.485 2.614 1.00 0.00 C ATOM 598 CG LEU A 63 -5.477 -1.909 3.851 1.00 0.00 C ATOM 599 CD1 LEU A 63 -6.455 -3.038 3.515 1.00 0.00 C ATOM 600 CD2 LEU A 63 -4.541 -2.287 5.000 1.00 0.00 C ATOM 0 H LEU A 63 -4.545 1.091 2.674 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.254 -0.949 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.406 -2.382 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.760 -1.013 2.944 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.069 -1.057 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.006 -3.321 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.155 -2.698 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.902 -3.900 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.131 -2.584 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.904 -3.116 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.920 -1.430 5.260 1.00 0.00 H new ATOM 611 N PHE A 64 -7.653 -1.038 0.974 1.00 0.00 N ATOM 612 CA PHE A 64 -9.103 -1.032 1.069 1.00 0.00 C ATOM 613 C PHE A 64 -9.618 -2.332 1.689 1.00 0.00 C ATOM 614 O PHE A 64 -8.942 -3.358 1.639 1.00 0.00 O ATOM 615 CB PHE A 64 -9.643 -0.910 -0.358 1.00 0.00 C ATOM 616 CG PHE A 64 -8.936 0.149 -1.204 1.00 0.00 C ATOM 617 CD1 PHE A 64 -8.408 1.253 -0.610 1.00 0.00 C ATOM 618 CD2 PHE A 64 -8.833 -0.014 -2.550 1.00 0.00 C ATOM 619 CE1 PHE A 64 -7.751 2.236 -1.395 1.00 0.00 C ATOM 620 CE2 PHE A 64 -8.175 0.969 -3.336 1.00 0.00 C ATOM 621 CZ PHE A 64 -7.648 2.074 -2.742 1.00 0.00 C ATOM 0 H PHE A 64 -7.281 -1.532 0.163 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.432 -0.207 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -9.551 -1.876 -0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -10.706 -0.674 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.489 1.381 0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -9.252 -0.891 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.333 3.113 -0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.093 0.839 -4.405 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.148 2.822 -3.339 1.00 0.00 H new ATOM 630 N ASP A 65 -10.812 -2.247 2.257 1.00 0.00 N ATOM 631 CA ASP A 65 -11.426 -3.403 2.886 1.00 0.00 C ATOM 632 C ASP A 65 -11.722 -4.461 1.820 1.00 0.00 C ATOM 633 O ASP A 65 -12.041 -5.603 2.146 1.00 0.00 O ATOM 634 CB ASP A 65 -12.747 -3.028 3.560 1.00 0.00 C ATOM 635 CG ASP A 65 -13.032 -3.755 4.875 1.00 0.00 C ATOM 636 OD1 ASP A 65 -12.978 -5.003 4.858 1.00 0.00 O ATOM 637 OD2 ASP A 65 -13.297 -3.045 5.869 1.00 0.00 O ATOM 0 H ASP A 65 -11.371 -1.394 2.295 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.735 -3.785 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.749 -1.954 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.562 -3.232 2.866 1.00 0.00 H new ATOM 641 N GLY A 66 -11.605 -4.042 0.569 1.00 0.00 N ATOM 642 CA GLY A 66 -11.856 -4.938 -0.547 1.00 0.00 C ATOM 643 C GLY A 66 -10.544 -5.442 -1.151 1.00 0.00 C ATOM 644 O GLY A 66 -10.473 -6.569 -1.639 1.00 0.00 O ATOM 0 H GLY A 66 -11.340 -3.094 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.455 -5.785 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.437 -4.420 -1.310 1.00 0.00 H new ATOM 648 N LEU A 67 -9.537 -4.582 -1.099 1.00 0.00 N ATOM 649 CA LEU A 67 -8.231 -4.926 -1.635 1.00 0.00 C ATOM 650 C LEU A 67 -7.255 -3.779 -1.363 1.00 0.00 C ATOM 651 O LEU A 67 -7.615 -2.610 -1.488 1.00 0.00 O ATOM 652 CB LEU A 67 -8.342 -5.301 -3.114 1.00 0.00 C ATOM 653 CG LEU A 67 -7.474 -4.490 -4.079 1.00 0.00 C ATOM 654 CD1 LEU A 67 -6.043 -5.028 -4.115 1.00 0.00 C ATOM 655 CD2 LEU A 67 -8.103 -4.440 -5.473 1.00 0.00 C ATOM 0 H LEU A 67 -9.599 -3.648 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.834 -5.809 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.083 -6.354 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.384 -5.196 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.423 -3.465 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.448 -4.434 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.606 -4.967 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.053 -6.067 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.466 -3.858 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.205 -5.453 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.086 -3.974 -5.412 1.00 0.00 H new ATOM 666 N MET A 68 -6.039 -4.154 -0.996 1.00 0.00 N ATOM 667 CA MET A 68 -5.008 -3.172 -0.706 1.00 0.00 C ATOM 668 C MET A 68 -4.402 -2.616 -1.995 1.00 0.00 C ATOM 669 O MET A 68 -3.771 -3.348 -2.755 1.00 0.00 O ATOM 670 CB MET A 68 -3.909 -3.821 0.137 1.00 0.00 C ATOM 671 CG MET A 68 -2.759 -2.842 0.386 1.00 0.00 C ATOM 672 SD MET A 68 -1.319 -3.342 -0.541 1.00 0.00 S ATOM 673 CE MET A 68 -0.034 -2.630 0.473 1.00 0.00 C ATOM 0 H MET A 68 -5.744 -5.125 -0.893 1.00 0.00 H new ATOM 0 HA MET A 68 -5.462 -2.348 -0.156 1.00 0.00 H new ATOM 0 HB2 MET A 68 -4.323 -4.151 1.090 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.532 -4.709 -0.371 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.058 -1.835 0.094 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.523 -2.808 1.450 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.906 -3.149 0.286 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.079 -1.574 0.228 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.302 -2.732 1.525 1.00 0.00 H new ATOM 681 N ILE A 69 -4.615 -1.325 -2.202 1.00 0.00 N ATOM 682 CA ILE A 69 -4.097 -0.660 -3.386 1.00 0.00 C ATOM 683 C ILE A 69 -2.947 0.265 -2.985 1.00 0.00 C ATOM 684 O ILE A 69 -3.139 1.200 -2.209 1.00 0.00 O ATOM 685 CB ILE A 69 -5.225 0.051 -4.138 1.00 0.00 C ATOM 686 CG1 ILE A 69 -6.147 -0.959 -4.825 1.00 0.00 C ATOM 687 CG2 ILE A 69 -4.664 1.078 -5.122 1.00 0.00 C ATOM 688 CD1 ILE A 69 -5.354 -1.883 -5.753 1.00 0.00 C ATOM 0 H ILE A 69 -5.140 -0.721 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.690 -1.390 -4.085 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.829 0.597 -3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.667 -1.552 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.909 -0.430 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.486 1.569 -5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.082 1.823 -4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.023 0.575 -5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.033 -2.591 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.855 -1.289 -6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.609 -2.428 -5.174 1.00 0.00 H new ATOM 699 N CYS A 70 -1.776 -0.027 -3.532 1.00 0.00 N ATOM 700 CA CYS A 70 -0.595 0.767 -3.242 1.00 0.00 C ATOM 701 C CYS A 70 -0.323 1.680 -4.438 1.00 0.00 C ATOM 702 O CYS A 70 -0.059 1.203 -5.541 1.00 0.00 O ATOM 703 CB CYS A 70 0.612 -0.114 -2.911 1.00 0.00 C ATOM 704 SG CYS A 70 0.874 -1.343 -4.242 1.00 0.00 S ATOM 0 H CYS A 70 -1.620 -0.803 -4.175 1.00 0.00 H new ATOM 0 HA CYS A 70 -0.773 1.375 -2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 70 1.503 0.504 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 70 0.451 -0.623 -1.961 1.00 0.00 H new ATOM 0 HG CYS A 70 1.902 -2.084 -3.952 1.00 0.00 H new ATOM 709 N CYS A 71 -0.398 2.978 -4.181 1.00 0.00 N ATOM 710 CA CYS A 71 -0.163 3.963 -5.223 1.00 0.00 C ATOM 711 C CYS A 71 1.284 4.448 -5.110 1.00 0.00 C ATOM 712 O CYS A 71 1.591 5.303 -4.281 1.00 0.00 O ATOM 713 CB CYS A 71 -1.161 5.119 -5.143 1.00 0.00 C ATOM 714 SG CYS A 71 -2.792 4.502 -4.588 1.00 0.00 S ATOM 0 H CYS A 71 -0.618 3.370 -3.266 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.315 3.505 -6.200 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.796 5.878 -4.451 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.256 5.596 -6.118 1.00 0.00 H new ATOM 0 HG CYS A 71 -3.631 5.493 -4.521 1.00 0.00 H new ATOM 719 N LYS A 72 2.133 3.881 -5.954 1.00 0.00 N ATOM 720 CA LYS A 72 3.539 4.245 -5.958 1.00 0.00 C ATOM 721 C LYS A 72 3.763 5.387 -6.952 1.00 0.00 C ATOM 722 O LYS A 72 2.988 5.556 -7.893 1.00 0.00 O ATOM 723 CB LYS A 72 4.409 3.015 -6.228 1.00 0.00 C ATOM 724 CG LYS A 72 4.822 2.338 -4.920 1.00 0.00 C ATOM 725 CD LYS A 72 5.010 0.833 -5.118 1.00 0.00 C ATOM 726 CE LYS A 72 5.222 0.126 -3.778 1.00 0.00 C ATOM 727 NZ LYS A 72 5.093 -1.340 -3.938 1.00 0.00 N ATOM 0 H LYS A 72 1.874 3.172 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 72 3.841 4.612 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.862 2.308 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.298 3.309 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.749 2.779 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.063 2.516 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.136 0.416 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.866 0.652 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.209 0.369 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.492 0.484 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.248 -1.672 -3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.004 -1.573 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.936 -1.807 -3.548 1.00 0.00 H new ATOM 737 N SER A 73 4.824 6.141 -6.709 1.00 0.00 N ATOM 738 CA SER A 73 5.160 7.262 -7.570 1.00 0.00 C ATOM 739 C SER A 73 6.677 7.444 -7.625 1.00 0.00 C ATOM 740 O SER A 73 7.347 7.426 -6.593 1.00 0.00 O ATOM 741 CB SER A 73 4.488 8.549 -7.085 1.00 0.00 C ATOM 742 OG SER A 73 4.607 9.604 -8.035 1.00 0.00 O ATOM 0 H SER A 73 5.463 5.998 -5.927 1.00 0.00 H new ATOM 0 HA SER A 73 4.790 7.046 -8.572 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.433 8.355 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.937 8.859 -6.141 1.00 0.00 H new ATOM 0 HG SER A 73 3.983 10.324 -7.804 1.00 0.00 H new ATOM 747 N ASN A 74 7.176 7.614 -8.841 1.00 0.00 N ATOM 748 CA ASN A 74 8.604 7.799 -9.045 1.00 0.00 C ATOM 749 C ASN A 74 8.838 9.084 -9.841 1.00 0.00 C ATOM 750 O ASN A 74 7.900 9.657 -10.392 1.00 0.00 O ATOM 751 CB ASN A 74 9.202 6.635 -9.837 1.00 0.00 C ATOM 752 CG ASN A 74 10.727 6.738 -9.895 1.00 0.00 C ATOM 753 OD1 ASN A 74 11.352 6.042 -8.949 1.00 0.00 O flip ATOM 754 ND2 ASN A 74 11.299 7.404 -10.742 1.00 0.00 N flip ATOM 0 H ASN A 74 6.618 7.628 -9.695 1.00 0.00 H new ATOM 0 HA ASN A 74 9.081 7.851 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.915 5.690 -9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.795 6.632 -10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.758 7.915 -11.440 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.318 7.450 -10.752 1.00 0.00 H new ATOM 899 N ALA A 86 -3.258 10.954 -12.644 1.00 0.00 N ATOM 900 CA ALA A 86 -2.833 9.919 -11.716 1.00 0.00 C ATOM 901 C ALA A 86 -1.304 9.878 -11.671 1.00 0.00 C ATOM 902 O ALA A 86 -0.697 8.865 -12.019 1.00 0.00 O ATOM 903 CB ALA A 86 -3.441 8.578 -12.132 1.00 0.00 C ATOM 0 HA ALA A 86 -3.187 10.138 -10.709 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.122 7.802 -11.436 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.528 8.652 -12.119 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.106 8.323 -13.138 1.00 0.00 H new ATOM 909 N GLU A 87 -0.726 10.989 -11.240 1.00 0.00 N ATOM 910 CA GLU A 87 0.720 11.092 -11.145 1.00 0.00 C ATOM 911 C GLU A 87 1.327 9.733 -10.788 1.00 0.00 C ATOM 912 O GLU A 87 2.147 9.201 -11.534 1.00 0.00 O ATOM 913 CB GLU A 87 1.128 12.159 -10.128 1.00 0.00 C ATOM 914 CG GLU A 87 0.392 13.474 -10.388 1.00 0.00 C ATOM 915 CD GLU A 87 1.080 14.639 -9.671 1.00 0.00 C ATOM 916 OE1 GLU A 87 2.075 15.143 -10.234 1.00 0.00 O ATOM 917 OE2 GLU A 87 0.594 14.998 -8.577 1.00 0.00 O ATOM 0 H GLU A 87 -1.233 11.826 -10.953 1.00 0.00 H new ATOM 0 HA GLU A 87 1.108 11.397 -12.117 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.908 11.808 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.204 12.324 -10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.359 13.671 -11.460 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.640 13.391 -10.047 1.00 0.00 H new ATOM 922 N TYR A 88 0.900 9.211 -9.648 1.00 0.00 N ATOM 923 CA TYR A 88 1.390 7.925 -9.184 1.00 0.00 C ATOM 924 C TYR A 88 0.784 6.780 -9.997 1.00 0.00 C ATOM 925 O TYR A 88 0.164 7.011 -11.034 1.00 0.00 O ATOM 926 CB TYR A 88 0.933 7.800 -7.729 1.00 0.00 C ATOM 927 CG TYR A 88 1.152 9.064 -6.896 1.00 0.00 C ATOM 928 CD1 TYR A 88 1.976 10.066 -7.368 1.00 0.00 C ATOM 929 CD2 TYR A 88 0.527 9.202 -5.674 1.00 0.00 C ATOM 930 CE1 TYR A 88 2.181 11.257 -6.584 1.00 0.00 C ATOM 931 CE2 TYR A 88 0.733 10.393 -4.890 1.00 0.00 C ATOM 932 CZ TYR A 88 1.551 11.361 -5.384 1.00 0.00 C ATOM 933 OH TYR A 88 1.746 12.486 -4.644 1.00 0.00 O ATOM 0 H TYR A 88 0.220 9.656 -9.032 1.00 0.00 H new ATOM 0 HA TYR A 88 2.473 7.867 -9.289 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.127 7.546 -7.713 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.466 6.972 -7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.466 9.957 -8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.117 8.417 -5.305 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.821 12.050 -6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.249 10.514 -3.932 1.00 0.00 H new ATOM 0 HH TYR A 88 1.233 12.423 -3.811 1.00 0.00 H new ATOM 942 N ARG A 89 0.983 5.570 -9.496 1.00 0.00 N ATOM 943 CA ARG A 89 0.463 4.389 -10.164 1.00 0.00 C ATOM 944 C ARG A 89 0.007 3.354 -9.132 1.00 0.00 C ATOM 945 O ARG A 89 0.812 2.861 -8.344 1.00 0.00 O ATOM 946 CB ARG A 89 1.521 3.760 -11.073 1.00 0.00 C ATOM 947 CG ARG A 89 2.072 4.787 -12.065 1.00 0.00 C ATOM 948 CD ARG A 89 2.469 4.118 -13.382 1.00 0.00 C ATOM 949 NE ARG A 89 3.732 3.366 -13.209 1.00 0.00 N ATOM 950 CZ ARG A 89 4.316 2.645 -14.176 1.00 0.00 C ATOM 951 NH1 ARG A 89 3.754 2.575 -15.391 1.00 0.00 N ATOM 952 NH2 ARG A 89 5.461 1.996 -13.928 1.00 0.00 N ATOM 0 H ARG A 89 1.497 5.382 -8.635 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.386 4.699 -10.774 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.335 3.361 -10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.087 2.921 -11.616 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.321 5.554 -12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.938 5.288 -11.632 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.677 3.444 -13.710 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.589 4.872 -14.160 1.00 0.00 H new ATOM 0 HE ARG A 89 4.186 3.399 -12.296 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.882 3.070 -15.579 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.198 2.026 -16.127 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.888 2.051 -13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.906 1.447 -14.664 1.00 0.00 H new ATOM 963 N LEU A 90 -1.283 3.056 -9.172 1.00 0.00 N ATOM 964 CA LEU A 90 -1.857 2.090 -8.251 1.00 0.00 C ATOM 965 C LEU A 90 -1.354 0.689 -8.610 1.00 0.00 C ATOM 966 O LEU A 90 -1.037 0.418 -9.767 1.00 0.00 O ATOM 967 CB LEU A 90 -3.381 2.209 -8.230 1.00 0.00 C ATOM 968 CG LEU A 90 -4.153 1.079 -8.917 1.00 0.00 C ATOM 969 CD1 LEU A 90 -3.542 0.750 -10.281 1.00 0.00 C ATOM 970 CD2 LEU A 90 -4.239 -0.153 -8.015 1.00 0.00 C ATOM 0 H LEU A 90 -1.947 3.467 -9.828 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.531 2.295 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.707 2.265 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.658 3.151 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.173 1.419 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.108 -0.056 -10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.576 1.634 -10.918 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.506 0.437 -10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.792 -0.941 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.234 -0.506 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.752 0.109 -7.090 1.00 0.00 H new ATOM 981 N LYS A 91 -1.298 -0.162 -7.597 1.00 0.00 N ATOM 982 CA LYS A 91 -0.840 -1.528 -7.791 1.00 0.00 C ATOM 983 C LYS A 91 -1.758 -2.483 -7.027 1.00 0.00 C ATOM 984 O LYS A 91 -1.831 -2.430 -5.800 1.00 0.00 O ATOM 985 CB LYS A 91 0.637 -1.656 -7.410 1.00 0.00 C ATOM 986 CG LYS A 91 1.488 -2.014 -8.629 1.00 0.00 C ATOM 987 CD LYS A 91 2.941 -1.575 -8.430 1.00 0.00 C ATOM 988 CE LYS A 91 3.528 -2.184 -7.156 1.00 0.00 C ATOM 989 NZ LYS A 91 4.894 -2.697 -7.409 1.00 0.00 N ATOM 0 H LYS A 91 -1.562 0.067 -6.639 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.899 -1.804 -8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.988 -0.718 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.753 -2.422 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.449 -3.090 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.078 -1.534 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.537 -1.878 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.992 -0.488 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.555 -1.433 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.888 -2.994 -6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.278 -3.107 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.859 -3.428 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.505 -1.916 -7.723 1.00 0.00 H new ATOM 999 N GLU A 92 -2.436 -3.334 -7.784 1.00 0.00 N ATOM 1000 CA GLU A 92 -3.346 -4.300 -7.192 1.00 0.00 C ATOM 1001 C GLU A 92 -2.595 -5.213 -6.223 1.00 0.00 C ATOM 1002 O GLU A 92 -1.709 -5.964 -6.630 1.00 0.00 O ATOM 1003 CB GLU A 92 -4.058 -5.116 -8.274 1.00 0.00 C ATOM 1004 CG GLU A 92 -3.068 -6.001 -9.033 1.00 0.00 C ATOM 1005 CD GLU A 92 -3.709 -6.585 -10.293 1.00 0.00 C ATOM 1006 OE1 GLU A 92 -3.692 -5.874 -11.321 1.00 0.00 O ATOM 1007 OE2 GLU A 92 -4.203 -7.729 -10.201 1.00 0.00 O ATOM 0 H GLU A 92 -2.373 -3.374 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.107 -3.757 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.830 -5.736 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.559 -4.444 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.188 -5.418 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.727 -6.809 -8.386 1.00 0.00 H new ATOM 1012 N LYS A 93 -2.975 -5.119 -4.957 1.00 0.00 N ATOM 1013 CA LYS A 93 -2.348 -5.929 -3.924 1.00 0.00 C ATOM 1014 C LYS A 93 -3.433 -6.575 -3.061 1.00 0.00 C ATOM 1015 O LYS A 93 -3.773 -6.059 -1.997 1.00 0.00 O ATOM 1016 CB LYS A 93 -1.342 -5.095 -3.129 1.00 0.00 C ATOM 1017 CG LYS A 93 -0.049 -4.894 -3.919 1.00 0.00 C ATOM 1018 CD LYS A 93 1.086 -5.744 -3.342 1.00 0.00 C ATOM 1019 CE LYS A 93 2.318 -5.702 -4.248 1.00 0.00 C ATOM 1020 NZ LYS A 93 2.185 -6.681 -5.350 1.00 0.00 N ATOM 0 H LYS A 93 -3.709 -4.495 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.772 -6.740 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.779 -4.126 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.121 -5.590 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.212 -5.160 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.234 -3.842 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.348 -5.380 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.750 -6.775 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.442 -4.699 -4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.213 -5.921 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.106 -7.130 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.491 -7.409 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.865 -6.193 -6.211 1.00 0.00 H new ATOM 1030 N PHE A 94 -3.945 -7.695 -3.549 1.00 0.00 N ATOM 1031 CA PHE A 94 -4.984 -8.416 -2.835 1.00 0.00 C ATOM 1032 C PHE A 94 -4.501 -8.840 -1.446 1.00 0.00 C ATOM 1033 O PHE A 94 -4.142 -9.997 -1.235 1.00 0.00 O ATOM 1034 CB PHE A 94 -5.302 -9.668 -3.654 1.00 0.00 C ATOM 1035 CG PHE A 94 -6.424 -9.475 -4.676 1.00 0.00 C ATOM 1036 CD1 PHE A 94 -6.134 -9.028 -5.928 1.00 0.00 C ATOM 1037 CD2 PHE A 94 -7.712 -9.749 -4.334 1.00 0.00 C ATOM 1038 CE1 PHE A 94 -7.175 -8.848 -6.876 1.00 0.00 C ATOM 1039 CE2 PHE A 94 -8.752 -9.569 -5.281 1.00 0.00 C ATOM 1040 CZ PHE A 94 -8.462 -9.122 -6.533 1.00 0.00 C ATOM 0 H PHE A 94 -3.659 -8.121 -4.431 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.859 -7.779 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.400 -9.987 -4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.578 -10.474 -2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.112 -8.810 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.943 -10.104 -3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.945 -8.493 -7.870 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.774 -9.787 -5.009 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.254 -8.985 -7.254 1.00 0.00 H new ATOM 1049 N PHE A 95 -4.508 -7.878 -0.533 1.00 0.00 N ATOM 1050 CA PHE A 95 -4.076 -8.136 0.829 1.00 0.00 C ATOM 1051 C PHE A 95 -5.259 -8.534 1.714 1.00 0.00 C ATOM 1052 O PHE A 95 -5.173 -9.497 2.475 1.00 0.00 O ATOM 1053 CB PHE A 95 -3.471 -6.835 1.361 1.00 0.00 C ATOM 1054 CG PHE A 95 -2.045 -6.567 0.876 1.00 0.00 C ATOM 1055 CD1 PHE A 95 -1.543 -7.263 -0.179 1.00 0.00 C ATOM 1056 CD2 PHE A 95 -1.279 -5.633 1.501 1.00 0.00 C ATOM 1057 CE1 PHE A 95 -0.220 -7.015 -0.628 1.00 0.00 C ATOM 1058 CE2 PHE A 95 0.045 -5.385 1.052 1.00 0.00 C ATOM 1059 CZ PHE A 95 0.547 -6.081 -0.004 1.00 0.00 C ATOM 0 H PHE A 95 -4.806 -6.919 -0.711 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.356 -8.954 0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.108 -6.002 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.474 -6.864 2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.151 -8.005 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.678 -5.080 2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.178 -7.568 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.654 -4.644 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.554 -5.892 -0.346 1.00 0.00 H new ATOM 1068 N MET A 96 -6.336 -7.774 1.584 1.00 0.00 N ATOM 1069 CA MET A 96 -7.534 -8.035 2.363 1.00 0.00 C ATOM 1070 C MET A 96 -7.820 -9.536 2.443 1.00 0.00 C ATOM 1071 O MET A 96 -8.481 -9.997 3.372 1.00 0.00 O ATOM 1072 CB MET A 96 -8.726 -7.323 1.719 1.00 0.00 C ATOM 1073 CG MET A 96 -10.006 -7.562 2.522 1.00 0.00 C ATOM 1074 SD MET A 96 -11.286 -8.203 1.455 1.00 0.00 S ATOM 1075 CE MET A 96 -12.643 -8.285 2.612 1.00 0.00 C ATOM 0 H MET A 96 -6.404 -6.977 0.951 1.00 0.00 H new ATOM 0 HA MET A 96 -7.376 -7.659 3.374 1.00 0.00 H new ATOM 0 HB2 MET A 96 -8.525 -6.253 1.657 1.00 0.00 H new ATOM 0 HB3 MET A 96 -8.860 -7.681 0.698 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.811 -8.265 3.332 1.00 0.00 H new ATOM 0 HG3 MET A 96 -10.337 -6.630 2.981 1.00 0.00 H new ATOM 0 HE1 MET A 96 -12.966 -9.320 2.721 1.00 0.00 H new ATOM 0 HE2 MET A 96 -12.320 -7.902 3.580 1.00 0.00 H new ATOM 0 HE3 MET A 96 -13.473 -7.683 2.243 1.00 0.00 H new ATOM 1083 N ARG A 97 -7.307 -10.257 1.456 1.00 0.00 N ATOM 1084 CA ARG A 97 -7.498 -11.697 1.404 1.00 0.00 C ATOM 1085 C ARG A 97 -6.494 -12.399 2.320 1.00 0.00 C ATOM 1086 O ARG A 97 -6.876 -13.227 3.145 1.00 0.00 O ATOM 1087 CB ARG A 97 -7.331 -12.223 -0.023 1.00 0.00 C ATOM 1088 CG ARG A 97 -8.479 -13.161 -0.399 1.00 0.00 C ATOM 1089 CD ARG A 97 -9.620 -12.392 -1.067 1.00 0.00 C ATOM 1090 NE ARG A 97 -10.705 -12.148 -0.091 1.00 0.00 N ATOM 1091 CZ ARG A 97 -11.382 -13.119 0.538 1.00 0.00 C ATOM 1092 NH1 ARG A 97 -11.089 -14.404 0.297 1.00 0.00 N ATOM 1093 NH2 ARG A 97 -12.352 -12.805 1.408 1.00 0.00 N ATOM 0 H ARG A 97 -6.760 -9.871 0.687 1.00 0.00 H new ATOM 0 HA ARG A 97 -8.513 -11.910 1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.297 -11.387 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.381 -12.751 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.114 -13.936 -1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.849 -13.664 0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.251 -11.444 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.004 -12.958 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.953 -11.181 0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.351 -14.643 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.604 -15.143 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.575 -11.827 1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.867 -13.544 1.886 1.00 0.00 H new ATOM 1104 N LYS A 98 -5.230 -12.043 2.144 1.00 0.00 N ATOM 1105 CA LYS A 98 -4.169 -12.628 2.944 1.00 0.00 C ATOM 1106 C LYS A 98 -2.851 -11.915 2.638 1.00 0.00 C ATOM 1107 O LYS A 98 -2.641 -11.445 1.520 1.00 0.00 O ATOM 1108 CB LYS A 98 -4.111 -14.142 2.732 1.00 0.00 C ATOM 1109 CG LYS A 98 -4.495 -14.510 1.298 1.00 0.00 C ATOM 1110 CD LYS A 98 -5.876 -15.166 1.251 1.00 0.00 C ATOM 1111 CE LYS A 98 -5.949 -16.212 0.136 1.00 0.00 C ATOM 1112 NZ LYS A 98 -5.946 -17.579 0.705 1.00 0.00 N ATOM 0 H LYS A 98 -4.917 -11.356 1.458 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.371 -12.484 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.106 -14.505 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.785 -14.637 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.492 -13.615 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.751 -15.190 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.092 -15.636 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.639 -14.404 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.852 -16.060 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.102 -16.091 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.996 -18.276 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.072 -17.727 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.768 -17.696 1.331 1.00 0.00 H new ATOM 1122 N VAL A 99 -1.997 -11.854 3.649 1.00 0.00 N ATOM 1123 CA VAL A 99 -0.706 -11.205 3.501 1.00 0.00 C ATOM 1124 C VAL A 99 0.272 -11.785 4.525 1.00 0.00 C ATOM 1125 O VAL A 99 -0.074 -12.704 5.267 1.00 0.00 O ATOM 1126 CB VAL A 99 -0.866 -9.689 3.620 1.00 0.00 C ATOM 1127 CG1 VAL A 99 -1.924 -9.171 2.644 1.00 0.00 C ATOM 1128 CG2 VAL A 99 -1.200 -9.284 5.057 1.00 0.00 C ATOM 0 H VAL A 99 -2.174 -12.244 4.575 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.293 -11.398 2.511 1.00 0.00 H new ATOM 0 HB VAL A 99 0.087 -9.230 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.018 -8.090 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.626 -9.412 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.883 -9.642 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.308 -8.201 5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.133 -9.759 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.397 -9.604 5.721 1.00 0.00 H new ATOM 1138 N GLN A 100 1.472 -11.225 4.533 1.00 0.00 N ATOM 1139 CA GLN A 100 2.502 -11.676 5.454 1.00 0.00 C ATOM 1140 C GLN A 100 3.666 -10.683 5.474 1.00 0.00 C ATOM 1141 O GLN A 100 4.649 -10.858 4.756 1.00 0.00 O ATOM 1142 CB GLN A 100 2.986 -13.081 5.090 1.00 0.00 C ATOM 1143 CG GLN A 100 3.121 -13.955 6.338 1.00 0.00 C ATOM 1144 CD GLN A 100 3.913 -15.228 6.035 1.00 0.00 C ATOM 1145 OE1 GLN A 100 5.122 -15.213 5.871 1.00 0.00 O ATOM 1146 NE2 GLN A 100 3.166 -16.326 5.967 1.00 0.00 N ATOM 0 H GLN A 100 1.755 -10.463 3.917 1.00 0.00 H new ATOM 0 HA GLN A 100 2.073 -11.724 6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.286 -13.542 4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.947 -13.018 4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.619 -13.392 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.131 -14.219 6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.158 -16.267 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.601 -17.227 5.767 1.00 0.00 H new ATOM 1153 N ILE A 101 3.518 -9.662 6.306 1.00 0.00 N ATOM 1154 CA ILE A 101 4.545 -8.642 6.431 1.00 0.00 C ATOM 1155 C ILE A 101 5.724 -9.206 7.225 1.00 0.00 C ATOM 1156 O ILE A 101 5.532 -9.949 8.185 1.00 0.00 O ATOM 1157 CB ILE A 101 3.957 -7.361 7.027 1.00 0.00 C ATOM 1158 CG1 ILE A 101 5.066 -6.392 7.444 1.00 0.00 C ATOM 1159 CG2 ILE A 101 3.010 -7.680 8.187 1.00 0.00 C ATOM 1160 CD1 ILE A 101 4.863 -5.019 6.801 1.00 0.00 C ATOM 0 H ILE A 101 2.701 -9.520 6.900 1.00 0.00 H new ATOM 0 HA ILE A 101 4.927 -8.363 5.449 1.00 0.00 H new ATOM 0 HB ILE A 101 3.367 -6.865 6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.077 -6.291 8.529 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.035 -6.795 7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.606 -6.752 8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 101 2.193 -8.305 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 101 3.556 -8.210 8.968 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.664 -4.349 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.877 -5.120 5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.903 -4.608 7.115 1.00 0.00 H new ATOM 1171 N ASN A 102 6.920 -8.831 6.793 1.00 0.00 N ATOM 1172 CA ASN A 102 8.131 -9.290 7.451 1.00 0.00 C ATOM 1173 C ASN A 102 9.086 -8.108 7.635 1.00 0.00 C ATOM 1174 O ASN A 102 9.898 -7.820 6.757 1.00 0.00 O ATOM 1175 CB ASN A 102 8.846 -10.350 6.611 1.00 0.00 C ATOM 1176 CG ASN A 102 9.299 -11.524 7.481 1.00 0.00 C ATOM 1177 OD1 ASN A 102 10.619 -11.624 7.611 1.00 0.00 O flip ATOM 1178 ND2 ASN A 102 8.503 -12.289 8.000 1.00 0.00 N flip ATOM 0 H ASN A 102 7.075 -8.215 5.995 1.00 0.00 H new ATOM 0 HA ASN A 102 7.850 -9.721 8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.179 -10.709 5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.709 -9.905 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.502 -12.155 7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.839 -13.062 8.574 1.00 0.00 H new ATOM 1184 N ASP A 103 8.956 -7.455 8.780 1.00 0.00 N ATOM 1185 CA ASP A 103 9.797 -6.312 9.090 1.00 0.00 C ATOM 1186 C ASP A 103 11.242 -6.782 9.273 1.00 0.00 C ATOM 1187 O ASP A 103 11.710 -6.934 10.400 1.00 0.00 O ATOM 1188 CB ASP A 103 9.351 -5.635 10.387 1.00 0.00 C ATOM 1189 CG ASP A 103 9.472 -6.502 11.643 1.00 0.00 C ATOM 1190 OD1 ASP A 103 8.869 -7.597 11.637 1.00 0.00 O ATOM 1191 OD2 ASP A 103 10.166 -6.051 12.580 1.00 0.00 O ATOM 0 H ASP A 103 8.280 -7.696 9.505 1.00 0.00 H new ATOM 0 HA ASP A 103 9.717 -5.601 8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.943 -4.731 10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.312 -5.323 10.278 1.00 0.00 H new ATOM 1195 N LYS A 104 11.907 -6.998 8.147 1.00 0.00 N ATOM 1196 CA LYS A 104 13.289 -7.447 8.170 1.00 0.00 C ATOM 1197 C LYS A 104 14.213 -6.248 7.951 1.00 0.00 C ATOM 1198 O LYS A 104 14.708 -6.034 6.845 1.00 0.00 O ATOM 1199 CB LYS A 104 13.500 -8.579 7.162 1.00 0.00 C ATOM 1200 CG LYS A 104 14.287 -9.731 7.790 1.00 0.00 C ATOM 1201 CD LYS A 104 13.361 -10.666 8.572 1.00 0.00 C ATOM 1202 CE LYS A 104 14.087 -11.281 9.769 1.00 0.00 C ATOM 1203 NZ LYS A 104 13.249 -12.322 10.404 1.00 0.00 N ATOM 0 H LYS A 104 11.515 -6.871 7.214 1.00 0.00 H new ATOM 0 HA LYS A 104 13.538 -7.868 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.534 -8.942 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.035 -8.200 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.802 -10.292 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 104 15.053 -9.333 8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.487 -10.113 8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.999 -11.457 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.033 -11.715 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.325 -10.504 10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.757 -12.729 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.357 -11.898 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.043 -13.071 9.713 1.00 0.00 H new ATOM 1213 N ASP A 105 14.419 -5.496 9.023 1.00 0.00 N ATOM 1214 CA ASP A 105 15.276 -4.324 8.962 1.00 0.00 C ATOM 1215 C ASP A 105 16.145 -4.267 10.220 1.00 0.00 C ATOM 1216 O ASP A 105 15.948 -5.047 11.151 1.00 0.00 O ATOM 1217 CB ASP A 105 14.448 -3.040 8.901 1.00 0.00 C ATOM 1218 CG ASP A 105 15.140 -1.856 8.223 1.00 0.00 C ATOM 1219 OD1 ASP A 105 15.936 -2.118 7.295 1.00 0.00 O ATOM 1220 OD2 ASP A 105 14.858 -0.714 8.646 1.00 0.00 O ATOM 0 H ASP A 105 14.007 -5.676 9.939 1.00 0.00 H new ATOM 0 HA ASP A 105 15.889 -4.401 8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.518 -3.250 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.178 -2.751 9.917 1.00 0.00 H new ATOM 1224 N ASP A 106 17.088 -3.337 10.207 1.00 0.00 N ATOM 1225 CA ASP A 106 17.988 -3.168 11.335 1.00 0.00 C ATOM 1226 C ASP A 106 18.235 -1.675 11.567 1.00 0.00 C ATOM 1227 O ASP A 106 19.135 -1.300 12.315 1.00 0.00 O ATOM 1228 CB ASP A 106 19.339 -3.834 11.067 1.00 0.00 C ATOM 1229 CG ASP A 106 20.043 -4.391 12.306 1.00 0.00 C ATOM 1230 OD1 ASP A 106 19.535 -5.400 12.842 1.00 0.00 O ATOM 1231 OD2 ASP A 106 21.072 -3.796 12.690 1.00 0.00 O ATOM 0 H ASP A 106 17.249 -2.692 9.433 1.00 0.00 H new ATOM 0 HA ASP A 106 17.525 -3.630 12.207 1.00 0.00 H new ATOM 0 HB2 ASP A 106 19.192 -4.646 10.355 1.00 0.00 H new ATOM 0 HB3 ASP A 106 19.997 -3.108 10.590 1.00 0.00 H new ATOM 1235 N THR A 107 17.417 -0.864 10.911 1.00 0.00 N ATOM 1236 CA THR A 107 17.535 0.578 11.036 1.00 0.00 C ATOM 1237 C THR A 107 18.861 0.949 11.704 1.00 0.00 C ATOM 1238 O THR A 107 19.799 1.376 11.034 1.00 0.00 O ATOM 1239 CB THR A 107 16.309 1.089 11.794 1.00 0.00 C ATOM 1240 OG1 THR A 107 15.893 -0.028 12.576 1.00 0.00 O ATOM 1241 CG2 THR A 107 15.119 1.359 10.870 1.00 0.00 C ATOM 0 H THR A 107 16.670 -1.179 10.292 1.00 0.00 H new ATOM 0 HA THR A 107 17.554 1.059 10.058 1.00 0.00 H new ATOM 0 HB THR A 107 16.569 2.003 12.329 1.00 0.00 H new ATOM 0 HG1 THR A 107 15.103 0.217 13.101 1.00 0.00 H new ATOM 0 HG21 THR A 107 14.276 1.720 11.459 1.00 0.00 H new ATOM 0 HG22 THR A 107 15.395 2.112 10.132 1.00 0.00 H new ATOM 0 HG23 THR A 107 14.838 0.438 10.360 1.00 0.00 H new ATOM 1249 N ASN A 108 18.894 0.772 13.017 1.00 0.00 N ATOM 1250 CA ASN A 108 20.089 1.083 13.782 1.00 0.00 C ATOM 1251 C ASN A 108 21.325 0.838 12.914 1.00 0.00 C ATOM 1252 O ASN A 108 22.330 1.532 13.051 1.00 0.00 O ATOM 1253 CB ASN A 108 20.197 0.190 15.021 1.00 0.00 C ATOM 1254 CG ASN A 108 19.674 0.912 16.264 1.00 0.00 C ATOM 1255 OD1 ASN A 108 18.542 0.735 16.685 1.00 0.00 O ATOM 1256 ND2 ASN A 108 20.557 1.732 16.826 1.00 0.00 N ATOM 0 H ASN A 108 18.113 0.418 13.569 1.00 0.00 H new ATOM 0 HA ASN A 108 20.028 2.126 14.092 1.00 0.00 H new ATOM 0 HB2 ASN A 108 19.630 -0.727 14.863 1.00 0.00 H new ATOM 0 HB3 ASN A 108 21.236 -0.100 15.175 1.00 0.00 H new ATOM 0 HD21 ASN A 108 20.303 2.260 17.661 1.00 0.00 H new ATOM 0 HD22 ASN A 108 21.488 1.833 16.422 1.00 0.00 H new ATOM 1262 N GLU A 109 21.209 -0.151 12.041 1.00 0.00 N ATOM 1263 CA GLU A 109 22.303 -0.496 11.150 1.00 0.00 C ATOM 1264 C GLU A 109 21.937 -0.160 9.703 1.00 0.00 C ATOM 1265 O GLU A 109 22.807 0.177 8.901 1.00 0.00 O ATOM 1266 CB GLU A 109 22.680 -1.972 11.292 1.00 0.00 C ATOM 1267 CG GLU A 109 23.941 -2.295 10.487 1.00 0.00 C ATOM 1268 CD GLU A 109 24.972 -3.024 11.352 1.00 0.00 C ATOM 1269 OE1 GLU A 109 24.595 -4.066 11.927 1.00 0.00 O ATOM 1270 OE2 GLU A 109 26.114 -2.519 11.418 1.00 0.00 O ATOM 0 H GLU A 109 20.373 -0.725 11.932 1.00 0.00 H new ATOM 0 HA GLU A 109 23.174 0.097 11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 109 22.844 -2.210 12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 109 21.855 -2.597 10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 109 23.680 -2.913 9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 109 24.374 -1.374 10.097 1.00 0.00 H new ATOM 1275 N TYR A 110 20.649 -0.262 9.414 1.00 0.00 N ATOM 1276 CA TYR A 110 20.156 0.028 8.078 1.00 0.00 C ATOM 1277 C TYR A 110 19.436 1.377 8.039 1.00 0.00 C ATOM 1278 O TYR A 110 19.538 2.166 8.977 1.00 0.00 O ATOM 1279 CB TYR A 110 19.155 -1.082 7.747 1.00 0.00 C ATOM 1280 CG TYR A 110 19.729 -2.494 7.870 1.00 0.00 C ATOM 1281 CD1 TYR A 110 21.091 -2.678 7.994 1.00 0.00 C ATOM 1282 CD2 TYR A 110 18.884 -3.585 7.856 1.00 0.00 C ATOM 1283 CE1 TYR A 110 21.632 -4.007 8.109 1.00 0.00 C ATOM 1284 CE2 TYR A 110 19.425 -4.916 7.973 1.00 0.00 C ATOM 1285 CZ TYR A 110 20.772 -5.061 8.093 1.00 0.00 C ATOM 1286 OH TYR A 110 21.281 -6.316 8.202 1.00 0.00 O ATOM 0 H TYR A 110 19.931 -0.542 10.082 1.00 0.00 H new ATOM 0 HA TYR A 110 20.981 0.073 7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 110 18.295 -0.991 8.411 1.00 0.00 H new ATOM 0 HB3 TYR A 110 18.790 -0.937 6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 110 21.752 -1.824 8.005 1.00 0.00 H new ATOM 0 HD2 TYR A 110 17.818 -3.442 7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 110 22.696 -4.164 8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 110 18.775 -5.779 7.966 1.00 0.00 H new ATOM 0 HH TYR A 110 20.550 -6.969 8.177 1.00 0.00 H new ATOM 1295 N LYS A 111 18.724 1.600 6.944 1.00 0.00 N ATOM 1296 CA LYS A 111 17.987 2.840 6.771 1.00 0.00 C ATOM 1297 C LYS A 111 16.647 2.738 7.504 1.00 0.00 C ATOM 1298 O LYS A 111 16.559 3.049 8.691 1.00 0.00 O ATOM 1299 CB LYS A 111 17.851 3.180 5.285 1.00 0.00 C ATOM 1300 CG LYS A 111 18.592 4.474 4.949 1.00 0.00 C ATOM 1301 CD LYS A 111 17.630 5.662 4.901 1.00 0.00 C ATOM 1302 CE LYS A 111 16.821 5.765 6.194 1.00 0.00 C ATOM 1303 NZ LYS A 111 17.710 6.060 7.340 1.00 0.00 N ATOM 0 H LYS A 111 18.642 0.943 6.168 1.00 0.00 H new ATOM 0 HA LYS A 111 18.532 3.673 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.248 2.363 4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.797 3.283 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.365 4.658 5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 111 19.095 4.370 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 111 18.192 6.583 4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.954 5.553 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 111 16.069 6.549 6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.287 4.831 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 17.599 5.322 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 18.698 6.082 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.458 6.984 7.746 1.00 0.00 H new ATOM 1313 N HIS A 112 15.637 2.303 6.766 1.00 0.00 N ATOM 1314 CA HIS A 112 14.306 2.156 7.331 1.00 0.00 C ATOM 1315 C HIS A 112 13.378 1.517 6.297 1.00 0.00 C ATOM 1316 O HIS A 112 12.594 2.208 5.649 1.00 0.00 O ATOM 1317 CB HIS A 112 13.783 3.500 7.845 1.00 0.00 C ATOM 1318 CG HIS A 112 13.470 4.496 6.755 1.00 0.00 C ATOM 1319 ND1 HIS A 112 13.876 4.324 5.443 1.00 0.00 N ATOM 1320 CD2 HIS A 112 12.787 5.675 6.795 1.00 0.00 C ATOM 1321 CE1 HIS A 112 13.451 5.359 4.734 1.00 0.00 C ATOM 1322 NE2 HIS A 112 12.777 6.196 5.574 1.00 0.00 N ATOM 0 H HIS A 112 15.713 2.047 5.781 1.00 0.00 H new ATOM 0 HA HIS A 112 14.345 1.492 8.194 1.00 0.00 H new ATOM 0 HB2 HIS A 112 12.882 3.326 8.433 1.00 0.00 H new ATOM 0 HB3 HIS A 112 14.524 3.933 8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 112 12.331 6.111 7.672 1.00 0.00 H new ATOM 0 HE1 HIS A 112 13.610 5.513 3.677 1.00 0.00 H new ATOM 0 HE2 HIS A 112 12.338 7.077 5.308 1.00 0.00 H new ATOM 1329 N ALA A 113 13.496 0.202 6.175 1.00 0.00 N ATOM 1330 CA ALA A 113 12.676 -0.539 5.231 1.00 0.00 C ATOM 1331 C ALA A 113 12.702 -2.024 5.597 1.00 0.00 C ATOM 1332 O ALA A 113 13.668 -2.506 6.187 1.00 0.00 O ATOM 1333 CB ALA A 113 13.177 -0.280 3.808 1.00 0.00 C ATOM 0 H ALA A 113 14.147 -0.369 6.714 1.00 0.00 H new ATOM 0 HA ALA A 113 11.639 -0.206 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.563 -0.835 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.112 0.786 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 113 14.214 -0.606 3.722 1.00 0.00 H new ATOM 1339 N PHE A 114 11.627 -2.709 5.233 1.00 0.00 N ATOM 1340 CA PHE A 114 11.513 -4.129 5.516 1.00 0.00 C ATOM 1341 C PHE A 114 10.951 -4.885 4.310 1.00 0.00 C ATOM 1342 O PHE A 114 10.492 -4.272 3.349 1.00 0.00 O ATOM 1343 CB PHE A 114 10.546 -4.275 6.692 1.00 0.00 C ATOM 1344 CG PHE A 114 9.715 -3.022 6.973 1.00 0.00 C ATOM 1345 CD1 PHE A 114 8.737 -2.645 6.106 1.00 0.00 C ATOM 1346 CD2 PHE A 114 9.954 -2.284 8.089 1.00 0.00 C ATOM 1347 CE1 PHE A 114 7.965 -1.482 6.367 1.00 0.00 C ATOM 1348 CE2 PHE A 114 9.184 -1.120 8.351 1.00 0.00 C ATOM 1349 CZ PHE A 114 8.205 -0.743 7.484 1.00 0.00 C ATOM 0 H PHE A 114 10.827 -2.306 4.744 1.00 0.00 H new ATOM 0 HA PHE A 114 12.495 -4.543 5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.872 -5.109 6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 114 11.114 -4.530 7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 114 8.547 -3.231 5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 114 10.731 -2.583 8.777 1.00 0.00 H new ATOM 0 HE1 PHE A 114 7.188 -1.184 5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.375 -0.534 9.238 1.00 0.00 H new ATOM 0 HZ PHE A 114 7.619 0.142 7.682 1.00 0.00 H new ATOM 1358 N GLU A 115 11.007 -6.206 4.402 1.00 0.00 N ATOM 1359 CA GLU A 115 10.509 -7.051 3.331 1.00 0.00 C ATOM 1360 C GLU A 115 9.082 -7.510 3.636 1.00 0.00 C ATOM 1361 O GLU A 115 8.833 -8.131 4.668 1.00 0.00 O ATOM 1362 CB GLU A 115 11.432 -8.250 3.104 1.00 0.00 C ATOM 1363 CG GLU A 115 12.792 -8.029 3.772 1.00 0.00 C ATOM 1364 CD GLU A 115 13.886 -8.833 3.066 1.00 0.00 C ATOM 1365 OE1 GLU A 115 13.965 -10.049 3.344 1.00 0.00 O ATOM 1366 OE2 GLU A 115 14.619 -8.214 2.266 1.00 0.00 O ATOM 0 H GLU A 115 11.390 -6.711 5.201 1.00 0.00 H new ATOM 0 HA GLU A 115 10.493 -6.466 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.968 -9.152 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.570 -8.410 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.044 -6.969 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.739 -8.323 4.820 1.00 0.00 H new ATOM 1371 N ILE A 116 8.181 -7.184 2.721 1.00 0.00 N ATOM 1372 CA ILE A 116 6.785 -7.554 2.879 1.00 0.00 C ATOM 1373 C ILE A 116 6.466 -8.731 1.954 1.00 0.00 C ATOM 1374 O ILE A 116 7.045 -8.853 0.876 1.00 0.00 O ATOM 1375 CB ILE A 116 5.880 -6.339 2.663 1.00 0.00 C ATOM 1376 CG1 ILE A 116 6.543 -5.063 3.184 1.00 0.00 C ATOM 1377 CG2 ILE A 116 4.502 -6.565 3.287 1.00 0.00 C ATOM 1378 CD1 ILE A 116 7.191 -5.300 4.550 1.00 0.00 C ATOM 0 H ILE A 116 8.391 -6.667 1.867 1.00 0.00 H new ATOM 0 HA ILE A 116 6.593 -7.888 3.899 1.00 0.00 H new ATOM 0 HB ILE A 116 5.731 -6.210 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 116 7.297 -4.725 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.800 -4.269 3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.878 -5.687 3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 116 4.033 -7.436 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.611 -6.734 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 116 7.655 -4.377 4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.430 -5.615 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.950 -6.077 4.463 1.00 0.00 H new ATOM 1389 N ILE A 117 5.544 -9.568 2.410 1.00 0.00 N ATOM 1390 CA ILE A 117 5.141 -10.730 1.637 1.00 0.00 C ATOM 1391 C ILE A 117 3.613 -10.804 1.595 1.00 0.00 C ATOM 1392 O ILE A 117 2.951 -10.628 2.617 1.00 0.00 O ATOM 1393 CB ILE A 117 5.803 -11.995 2.187 1.00 0.00 C ATOM 1394 CG1 ILE A 117 7.296 -12.024 1.850 1.00 0.00 C ATOM 1395 CG2 ILE A 117 5.080 -13.250 1.696 1.00 0.00 C ATOM 1396 CD1 ILE A 117 8.146 -11.910 3.116 1.00 0.00 C ATOM 0 H ILE A 117 5.065 -9.464 3.305 1.00 0.00 H new ATOM 0 HA ILE A 117 5.485 -10.640 0.607 1.00 0.00 H new ATOM 0 HB ILE A 117 5.719 -11.980 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 117 7.537 -12.950 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 117 7.535 -11.205 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.571 -14.135 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 117 4.042 -13.226 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.111 -13.285 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 117 9.202 -11.933 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 117 7.920 -10.971 3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 117 7.922 -12.744 3.781 1.00 0.00 H new ATOM 1407 N LEU A 118 3.098 -11.065 0.403 1.00 0.00 N ATOM 1408 CA LEU A 118 1.661 -11.165 0.214 1.00 0.00 C ATOM 1409 C LEU A 118 1.322 -12.533 -0.381 1.00 0.00 C ATOM 1410 O LEU A 118 1.983 -12.988 -1.313 1.00 0.00 O ATOM 1411 CB LEU A 118 1.147 -9.988 -0.618 1.00 0.00 C ATOM 1412 CG LEU A 118 2.163 -9.337 -1.559 1.00 0.00 C ATOM 1413 CD1 LEU A 118 1.657 -9.349 -3.003 1.00 0.00 C ATOM 1414 CD2 LEU A 118 2.522 -7.927 -1.088 1.00 0.00 C ATOM 0 H LEU A 118 3.650 -11.210 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 118 1.146 -11.098 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.300 -10.331 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.771 -9.224 0.063 1.00 0.00 H new ATOM 0 HG LEU A 118 3.080 -9.926 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.397 -8.881 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.494 -10.378 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.719 -8.797 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.246 -7.487 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.623 -7.311 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.954 -7.976 -0.088 1.00 0.00 H new ATOM 1425 N LYS A 119 0.294 -13.149 0.183 1.00 0.00 N ATOM 1426 CA LYS A 119 -0.140 -14.457 -0.280 1.00 0.00 C ATOM 1427 C LYS A 119 -0.199 -14.457 -1.809 1.00 0.00 C ATOM 1428 O LYS A 119 -0.083 -15.508 -2.438 1.00 0.00 O ATOM 1429 CB LYS A 119 -1.459 -14.851 0.388 1.00 0.00 C ATOM 1430 CG LYS A 119 -1.295 -16.126 1.217 1.00 0.00 C ATOM 1431 CD LYS A 119 -1.702 -17.361 0.410 1.00 0.00 C ATOM 1432 CE LYS A 119 -1.791 -18.597 1.307 1.00 0.00 C ATOM 1433 NZ LYS A 119 -1.130 -19.754 0.665 1.00 0.00 N ATOM 0 H LYS A 119 -0.251 -12.767 0.956 1.00 0.00 H new ATOM 0 HA LYS A 119 0.578 -15.223 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.803 -14.039 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.225 -15.004 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -0.258 -16.223 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.904 -16.059 2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.665 -17.185 -0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -0.977 -17.536 -0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.321 -18.390 2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.836 -18.833 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.200 -20.584 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.596 -19.961 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.128 -19.532 0.496 1.00 0.00 H new ATOM 1443 N ASP A 120 -0.383 -13.268 -2.362 1.00 0.00 N ATOM 1444 CA ASP A 120 -0.460 -13.117 -3.806 1.00 0.00 C ATOM 1445 C ASP A 120 0.758 -13.785 -4.449 1.00 0.00 C ATOM 1446 O ASP A 120 0.762 -14.049 -5.650 1.00 0.00 O ATOM 1447 CB ASP A 120 -0.458 -11.641 -4.207 1.00 0.00 C ATOM 1448 CG ASP A 120 -0.838 -11.366 -5.664 1.00 0.00 C ATOM 1449 OD1 ASP A 120 -1.800 -12.013 -6.131 1.00 0.00 O ATOM 1450 OD2 ASP A 120 -0.158 -10.515 -6.277 1.00 0.00 O ATOM 0 H ASP A 120 -0.481 -12.399 -1.837 1.00 0.00 H new ATOM 0 HA ASP A 120 -1.387 -13.580 -4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -1.150 -11.103 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 120 0.535 -11.231 -4.023 1.00 0.00 H new ATOM 1454 N GLU A 121 1.761 -14.038 -3.621 1.00 0.00 N ATOM 1455 CA GLU A 121 2.980 -14.669 -4.094 1.00 0.00 C ATOM 1456 C GLU A 121 3.959 -13.612 -4.609 1.00 0.00 C ATOM 1457 O GLU A 121 4.533 -13.764 -5.687 1.00 0.00 O ATOM 1458 CB GLU A 121 2.677 -15.708 -5.176 1.00 0.00 C ATOM 1459 CG GLU A 121 1.476 -16.571 -4.784 1.00 0.00 C ATOM 1460 CD GLU A 121 1.649 -18.008 -5.280 1.00 0.00 C ATOM 1461 OE1 GLU A 121 2.748 -18.301 -5.800 1.00 0.00 O ATOM 1462 OE2 GLU A 121 0.679 -18.782 -5.128 1.00 0.00 O ATOM 0 H GLU A 121 1.754 -13.817 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 121 3.444 -15.190 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.475 -15.205 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.550 -16.342 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.360 -16.568 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 121 0.565 -16.145 -5.204 1.00 0.00 H new ATOM 1467 N ASN A 122 4.121 -12.563 -3.814 1.00 0.00 N ATOM 1468 CA ASN A 122 5.020 -11.482 -4.177 1.00 0.00 C ATOM 1469 C ASN A 122 5.564 -10.830 -2.904 1.00 0.00 C ATOM 1470 O ASN A 122 4.978 -10.967 -1.832 1.00 0.00 O ATOM 1471 CB ASN A 122 4.292 -10.406 -4.984 1.00 0.00 C ATOM 1472 CG ASN A 122 5.048 -10.082 -6.275 1.00 0.00 C ATOM 1473 OD1 ASN A 122 6.182 -10.484 -6.477 1.00 0.00 O ATOM 1474 ND2 ASN A 122 4.359 -9.334 -7.132 1.00 0.00 N ATOM 0 H ASN A 122 3.645 -12.440 -2.921 1.00 0.00 H new ATOM 0 HA ASN A 122 5.825 -11.901 -4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 122 3.285 -10.746 -5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 122 4.189 -9.503 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 122 4.777 -9.063 -8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 122 3.413 -9.032 -6.899 1.00 0.00 H new ATOM 1480 N SER A 123 6.680 -10.133 -3.066 1.00 0.00 N ATOM 1481 CA SER A 123 7.311 -9.459 -1.943 1.00 0.00 C ATOM 1482 C SER A 123 7.479 -7.970 -2.255 1.00 0.00 C ATOM 1483 O SER A 123 7.400 -7.562 -3.412 1.00 0.00 O ATOM 1484 CB SER A 123 8.664 -10.089 -1.612 1.00 0.00 C ATOM 1485 OG SER A 123 9.739 -9.172 -1.797 1.00 0.00 O ATOM 0 H SER A 123 7.163 -10.021 -3.957 1.00 0.00 H new ATOM 0 HA SER A 123 6.667 -9.571 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.659 -10.438 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.821 -10.964 -2.243 1.00 0.00 H new ATOM 0 HG SER A 123 10.586 -9.612 -1.574 1.00 0.00 H new ATOM 1490 N VAL A 124 7.710 -7.200 -1.201 1.00 0.00 N ATOM 1491 CA VAL A 124 7.892 -5.766 -1.347 1.00 0.00 C ATOM 1492 C VAL A 124 8.964 -5.290 -0.366 1.00 0.00 C ATOM 1493 O VAL A 124 9.478 -6.075 0.428 1.00 0.00 O ATOM 1494 CB VAL A 124 6.552 -5.048 -1.166 1.00 0.00 C ATOM 1495 CG1 VAL A 124 6.433 -3.861 -2.124 1.00 0.00 C ATOM 1496 CG2 VAL A 124 5.382 -6.017 -1.344 1.00 0.00 C ATOM 0 H VAL A 124 7.775 -7.543 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 124 8.241 -5.525 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 124 6.513 -4.661 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.472 -3.368 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.238 -3.153 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.504 -4.215 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.442 -5.481 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.415 -6.447 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.454 -6.814 -0.604 1.00 0.00 H new ATOM 1506 N ILE A 125 9.269 -4.003 -0.452 1.00 0.00 N ATOM 1507 CA ILE A 125 10.271 -3.412 0.419 1.00 0.00 C ATOM 1508 C ILE A 125 9.802 -2.024 0.860 1.00 0.00 C ATOM 1509 O ILE A 125 10.225 -1.014 0.298 1.00 0.00 O ATOM 1510 CB ILE A 125 11.640 -3.410 -0.264 1.00 0.00 C ATOM 1511 CG1 ILE A 125 12.048 -4.826 -0.677 1.00 0.00 C ATOM 1512 CG2 ILE A 125 12.695 -2.746 0.624 1.00 0.00 C ATOM 1513 CD1 ILE A 125 11.518 -5.164 -2.072 1.00 0.00 C ATOM 0 H ILE A 125 8.840 -3.353 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 125 10.392 -4.010 1.322 1.00 0.00 H new ATOM 0 HB ILE A 125 11.566 -2.817 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 125 13.134 -4.913 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.663 -5.545 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 125 13.659 -2.758 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 125 12.404 -1.715 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 125 12.775 -3.291 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.822 -6.176 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 125 10.430 -5.099 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 125 11.924 -4.458 -2.796 1.00 0.00 H new ATOM 1524 N PHE A 126 8.934 -2.017 1.861 1.00 0.00 N ATOM 1525 CA PHE A 126 8.404 -0.771 2.383 1.00 0.00 C ATOM 1526 C PHE A 126 9.446 -0.046 3.238 1.00 0.00 C ATOM 1527 O PHE A 126 10.368 -0.670 3.761 1.00 0.00 O ATOM 1528 CB PHE A 126 7.202 -1.128 3.261 1.00 0.00 C ATOM 1529 CG PHE A 126 5.947 -1.506 2.473 1.00 0.00 C ATOM 1530 CD1 PHE A 126 5.977 -1.524 1.114 1.00 0.00 C ATOM 1531 CD2 PHE A 126 4.801 -1.825 3.132 1.00 0.00 C ATOM 1532 CE1 PHE A 126 4.811 -1.875 0.382 1.00 0.00 C ATOM 1533 CE2 PHE A 126 3.635 -2.176 2.400 1.00 0.00 C ATOM 1534 CZ PHE A 126 3.665 -2.194 1.041 1.00 0.00 C ATOM 0 H PHE A 126 8.585 -2.856 2.324 1.00 0.00 H new ATOM 0 HA PHE A 126 8.126 -0.112 1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.474 -1.959 3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 126 6.972 -0.280 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 126 6.887 -1.271 0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.777 -1.812 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 126 4.835 -1.888 -0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 126 2.725 -2.429 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 126 2.779 -2.462 0.485 1.00 0.00 H new ATOM 1543 N SER A 127 9.265 1.262 3.352 1.00 0.00 N ATOM 1544 CA SER A 127 10.178 2.078 4.134 1.00 0.00 C ATOM 1545 C SER A 127 9.394 3.112 4.944 1.00 0.00 C ATOM 1546 O SER A 127 8.802 4.030 4.377 1.00 0.00 O ATOM 1547 CB SER A 127 11.203 2.773 3.235 1.00 0.00 C ATOM 1548 OG SER A 127 12.169 1.860 2.721 1.00 0.00 O ATOM 0 H SER A 127 8.500 1.776 2.916 1.00 0.00 H new ATOM 0 HA SER A 127 10.719 1.425 4.819 1.00 0.00 H new ATOM 0 HB2 SER A 127 10.688 3.260 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 127 11.709 3.556 3.800 1.00 0.00 H new ATOM 0 HG SER A 127 11.712 1.101 2.303 1.00 0.00 H new ATOM 1553 N ALA A 128 9.415 2.929 6.255 1.00 0.00 N ATOM 1554 CA ALA A 128 8.713 3.835 7.149 1.00 0.00 C ATOM 1555 C ALA A 128 9.733 4.647 7.950 1.00 0.00 C ATOM 1556 O ALA A 128 10.884 4.238 8.091 1.00 0.00 O ATOM 1557 CB ALA A 128 7.768 3.036 8.049 1.00 0.00 C ATOM 0 H ALA A 128 9.907 2.167 6.721 1.00 0.00 H new ATOM 0 HA ALA A 128 8.104 4.538 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.242 3.716 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.045 2.501 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 128 8.343 2.321 8.637 1.00 0.00 H new ATOM 1563 N LYS A 129 9.273 5.784 8.453 1.00 0.00 N ATOM 1564 CA LYS A 129 10.132 6.657 9.235 1.00 0.00 C ATOM 1565 C LYS A 129 9.557 6.798 10.646 1.00 0.00 C ATOM 1566 O LYS A 129 10.202 7.361 11.529 1.00 0.00 O ATOM 1567 CB LYS A 129 10.335 7.993 8.518 1.00 0.00 C ATOM 1568 CG LYS A 129 9.014 8.756 8.397 1.00 0.00 C ATOM 1569 CD LYS A 129 9.097 9.826 7.307 1.00 0.00 C ATOM 1570 CE LYS A 129 8.907 9.212 5.919 1.00 0.00 C ATOM 1571 NZ LYS A 129 8.241 10.174 5.013 1.00 0.00 N ATOM 0 H LYS A 129 8.317 6.120 8.334 1.00 0.00 H new ATOM 0 HA LYS A 129 11.126 6.222 9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.059 8.597 9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.750 7.818 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.207 8.060 8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 129 8.770 9.222 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.335 10.586 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 129 10.064 10.327 7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 129 9.874 8.925 5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.311 8.303 5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.120 9.741 4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.310 10.428 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.825 11.030 4.926 1.00 0.00 H new ATOM 1581 N SER A 130 8.351 6.276 10.815 1.00 0.00 N ATOM 1582 CA SER A 130 7.682 6.338 12.103 1.00 0.00 C ATOM 1583 C SER A 130 7.553 4.931 12.693 1.00 0.00 C ATOM 1584 O SER A 130 6.856 4.083 12.138 1.00 0.00 O ATOM 1585 CB SER A 130 6.304 6.989 11.979 1.00 0.00 C ATOM 1586 OG SER A 130 6.060 7.927 13.023 1.00 0.00 O ATOM 0 H SER A 130 7.820 5.808 10.081 1.00 0.00 H new ATOM 0 HA SER A 130 8.285 6.953 12.771 1.00 0.00 H new ATOM 0 HB2 SER A 130 6.226 7.492 11.015 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.535 6.217 11.999 1.00 0.00 H new ATOM 0 HG SER A 130 5.171 8.322 12.907 1.00 0.00 H new ATOM 1591 N ALA A 131 8.237 4.728 13.810 1.00 0.00 N ATOM 1592 CA ALA A 131 8.208 3.438 14.480 1.00 0.00 C ATOM 1593 C ALA A 131 6.765 2.934 14.544 1.00 0.00 C ATOM 1594 O ALA A 131 6.517 1.735 14.435 1.00 0.00 O ATOM 1595 CB ALA A 131 8.842 3.569 15.866 1.00 0.00 C ATOM 0 H ALA A 131 8.814 5.434 14.267 1.00 0.00 H new ATOM 0 HA ALA A 131 8.789 2.703 13.924 1.00 0.00 H new ATOM 0 HB1 ALA A 131 8.821 2.602 16.369 1.00 0.00 H new ATOM 0 HB2 ALA A 131 9.875 3.902 15.764 1.00 0.00 H new ATOM 0 HB3 ALA A 131 8.283 4.296 16.455 1.00 0.00 H new ATOM 1601 N GLU A 132 5.850 3.877 14.720 1.00 0.00 N ATOM 1602 CA GLU A 132 4.438 3.543 14.801 1.00 0.00 C ATOM 1603 C GLU A 132 3.928 3.060 13.441 1.00 0.00 C ATOM 1604 O GLU A 132 3.140 2.120 13.368 1.00 0.00 O ATOM 1605 CB GLU A 132 3.621 4.736 15.301 1.00 0.00 C ATOM 1606 CG GLU A 132 3.013 4.446 16.675 1.00 0.00 C ATOM 1607 CD GLU A 132 1.537 4.058 16.552 1.00 0.00 C ATOM 1608 OE1 GLU A 132 0.905 4.535 15.584 1.00 0.00 O ATOM 1609 OE2 GLU A 132 1.076 3.295 17.427 1.00 0.00 O ATOM 0 H GLU A 132 6.059 4.871 14.809 1.00 0.00 H new ATOM 0 HA GLU A 132 4.316 2.734 15.521 1.00 0.00 H new ATOM 0 HB2 GLU A 132 4.258 5.619 15.360 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.828 4.962 14.589 1.00 0.00 H new ATOM 0 HG2 GLU A 132 3.565 3.640 17.158 1.00 0.00 H new ATOM 0 HG3 GLU A 132 3.110 5.325 17.312 1.00 0.00 H new ATOM 1614 N GLU A 133 4.400 3.728 12.398 1.00 0.00 N ATOM 1615 CA GLU A 133 4.002 3.379 11.045 1.00 0.00 C ATOM 1616 C GLU A 133 4.423 1.944 10.721 1.00 0.00 C ATOM 1617 O GLU A 133 3.642 1.175 10.164 1.00 0.00 O ATOM 1618 CB GLU A 133 4.586 4.364 10.030 1.00 0.00 C ATOM 1619 CG GLU A 133 4.024 5.771 10.246 1.00 0.00 C ATOM 1620 CD GLU A 133 2.820 6.025 9.337 1.00 0.00 C ATOM 1621 OE1 GLU A 133 1.694 5.725 9.791 1.00 0.00 O ATOM 1622 OE2 GLU A 133 3.051 6.513 8.210 1.00 0.00 O ATOM 0 H GLU A 133 5.054 4.508 12.463 1.00 0.00 H new ATOM 0 HA GLU A 133 2.916 3.442 10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 133 5.672 4.384 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 133 4.357 4.028 9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 133 3.730 5.893 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 133 4.799 6.511 10.045 1.00 0.00 H new ATOM 1627 N LYS A 134 5.657 1.627 11.084 1.00 0.00 N ATOM 1628 CA LYS A 134 6.191 0.298 10.839 1.00 0.00 C ATOM 1629 C LYS A 134 5.297 -0.740 11.521 1.00 0.00 C ATOM 1630 O LYS A 134 5.062 -1.816 10.974 1.00 0.00 O ATOM 1631 CB LYS A 134 7.658 0.223 11.268 1.00 0.00 C ATOM 1632 CG LYS A 134 8.102 -1.229 11.451 1.00 0.00 C ATOM 1633 CD LYS A 134 9.517 -1.301 12.028 1.00 0.00 C ATOM 1634 CE LYS A 134 9.497 -1.828 13.465 1.00 0.00 C ATOM 1635 NZ LYS A 134 10.566 -2.832 13.664 1.00 0.00 N ATOM 0 H LYS A 134 6.302 2.268 11.546 1.00 0.00 H new ATOM 0 HA LYS A 134 6.183 0.075 9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.285 0.707 10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.796 0.770 12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.408 -1.744 12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.070 -1.747 10.492 1.00 0.00 H new ATOM 0 HD2 LYS A 134 10.134 -1.950 11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.973 -0.311 12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 134 9.631 -1.002 14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 134 8.526 -2.274 13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.538 -3.179 14.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 10.421 -3.628 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.491 -2.395 13.478 1.00 0.00 H new ATOM 1645 N ASN A 135 4.824 -0.380 12.704 1.00 0.00 N ATOM 1646 CA ASN A 135 3.961 -1.266 13.467 1.00 0.00 C ATOM 1647 C ASN A 135 2.542 -1.203 12.898 1.00 0.00 C ATOM 1648 O ASN A 135 1.852 -2.219 12.825 1.00 0.00 O ATOM 1649 CB ASN A 135 3.900 -0.847 14.936 1.00 0.00 C ATOM 1650 CG ASN A 135 3.788 -2.068 15.851 1.00 0.00 C ATOM 1651 OD1 ASN A 135 2.731 -2.654 16.021 1.00 0.00 O ATOM 1652 ND2 ASN A 135 4.933 -2.417 16.429 1.00 0.00 N ATOM 0 H ASN A 135 5.022 0.514 13.154 1.00 0.00 H new ATOM 0 HA ASN A 135 4.368 -2.275 13.397 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.793 -0.277 15.192 1.00 0.00 H new ATOM 0 HB3 ASN A 135 3.045 -0.189 15.095 1.00 0.00 H new ATOM 0 HD21 ASN A 135 4.963 -3.219 17.058 1.00 0.00 H new ATOM 0 HD22 ASN A 135 5.782 -1.883 16.243 1.00 0.00 H new ATOM 1658 N ASN A 136 2.147 0.000 12.509 1.00 0.00 N ATOM 1659 CA ASN A 136 0.824 0.209 11.948 1.00 0.00 C ATOM 1660 C ASN A 136 0.809 -0.263 10.493 1.00 0.00 C ATOM 1661 O ASN A 136 -0.255 -0.511 9.927 1.00 0.00 O ATOM 1662 CB ASN A 136 0.445 1.691 11.968 1.00 0.00 C ATOM 1663 CG ASN A 136 -0.769 1.935 12.867 1.00 0.00 C ATOM 1664 OD1 ASN A 136 -1.282 1.040 13.518 1.00 0.00 O ATOM 1665 ND2 ASN A 136 -1.199 3.194 12.865 1.00 0.00 N ATOM 0 H ASN A 136 2.721 0.841 12.572 1.00 0.00 H new ATOM 0 HA ASN A 136 0.111 -0.354 12.550 1.00 0.00 H new ATOM 0 HB2 ASN A 136 1.290 2.281 12.324 1.00 0.00 H new ATOM 0 HB3 ASN A 136 0.225 2.027 10.955 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -2.005 3.459 13.432 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -0.723 3.895 12.297 1.00 0.00 H new ATOM 1671 N TRP A 137 2.004 -0.373 9.929 1.00 0.00 N ATOM 1672 CA TRP A 137 2.142 -0.811 8.551 1.00 0.00 C ATOM 1673 C TRP A 137 1.987 -2.334 8.520 1.00 0.00 C ATOM 1674 O TRP A 137 1.265 -2.870 7.682 1.00 0.00 O ATOM 1675 CB TRP A 137 3.467 -0.333 7.954 1.00 0.00 C ATOM 1676 CG TRP A 137 3.519 1.171 7.677 1.00 0.00 C ATOM 1677 CD1 TRP A 137 2.652 2.112 8.071 1.00 0.00 C ATOM 1678 CD2 TRP A 137 4.533 1.872 6.926 1.00 0.00 C ATOM 1679 NE1 TRP A 137 3.029 3.364 7.631 1.00 0.00 N ATOM 1680 CE2 TRP A 137 4.210 3.214 6.913 1.00 0.00 C ATOM 1681 CE3 TRP A 137 5.684 1.389 6.280 1.00 0.00 C ATOM 1682 CZ2 TRP A 137 4.987 4.183 6.268 1.00 0.00 C ATOM 1683 CZ3 TRP A 137 6.451 2.371 5.640 1.00 0.00 C ATOM 1684 CH2 TRP A 137 6.139 3.725 5.617 1.00 0.00 C ATOM 0 H TRP A 137 2.884 -0.166 10.402 1.00 0.00 H new ATOM 0 HA TRP A 137 1.365 -0.370 7.927 1.00 0.00 H new ATOM 0 HB2 TRP A 137 4.276 -0.594 8.636 1.00 0.00 H new ATOM 0 HB3 TRP A 137 3.649 -0.870 7.023 1.00 0.00 H new ATOM 0 HD1 TRP A 137 1.768 1.916 8.660 1.00 0.00 H new ATOM 0 HE1 TRP A 137 2.533 4.239 7.801 1.00 0.00 H new ATOM 0 HE3 TRP A 137 5.956 0.344 6.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 4.713 5.228 6.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 7.348 2.054 5.129 1.00 0.00 H new ATOM 0 HH2 TRP A 137 6.782 4.421 5.099 1.00 0.00 H new ATOM 1694 N MET A 138 2.676 -2.985 9.444 1.00 0.00 N ATOM 1695 CA MET A 138 2.625 -4.434 9.534 1.00 0.00 C ATOM 1696 C MET A 138 1.329 -4.895 10.204 1.00 0.00 C ATOM 1697 O MET A 138 0.731 -5.888 9.791 1.00 0.00 O ATOM 1698 CB MET A 138 3.824 -4.940 10.338 1.00 0.00 C ATOM 1699 CG MET A 138 3.933 -4.210 11.679 1.00 0.00 C ATOM 1700 SD MET A 138 3.673 -5.357 13.021 1.00 0.00 S ATOM 1701 CE MET A 138 5.363 -5.624 13.531 1.00 0.00 C ATOM 0 H MET A 138 3.273 -2.536 10.138 1.00 0.00 H new ATOM 0 HA MET A 138 2.657 -4.843 8.524 1.00 0.00 H new ATOM 0 HB2 MET A 138 3.725 -6.012 10.510 1.00 0.00 H new ATOM 0 HB3 MET A 138 4.739 -4.793 9.764 1.00 0.00 H new ATOM 0 HG2 MET A 138 4.915 -3.746 11.771 1.00 0.00 H new ATOM 0 HG3 MET A 138 3.196 -3.408 11.727 1.00 0.00 H new ATOM 0 HE1 MET A 138 5.385 -6.322 14.368 1.00 0.00 H new ATOM 0 HE2 MET A 138 5.933 -6.037 12.699 1.00 0.00 H new ATOM 0 HE3 MET A 138 5.805 -4.676 13.838 1.00 0.00 H new ATOM 1709 N ALA A 139 0.933 -4.154 11.229 1.00 0.00 N ATOM 1710 CA ALA A 139 -0.280 -4.475 11.961 1.00 0.00 C ATOM 1711 C ALA A 139 -1.472 -4.438 11.003 1.00 0.00 C ATOM 1712 O ALA A 139 -2.347 -5.302 11.061 1.00 0.00 O ATOM 1713 CB ALA A 139 -0.442 -3.503 13.132 1.00 0.00 C ATOM 0 H ALA A 139 1.431 -3.332 11.570 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.223 -5.480 12.378 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.352 -3.744 13.681 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.417 -3.589 13.798 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.506 -2.483 12.752 1.00 0.00 H new ATOM 1719 N ALA A 140 -1.471 -3.429 10.144 1.00 0.00 N ATOM 1720 CA ALA A 140 -2.541 -3.269 9.176 1.00 0.00 C ATOM 1721 C ALA A 140 -2.535 -4.459 8.213 1.00 0.00 C ATOM 1722 O ALA A 140 -3.587 -5.008 7.892 1.00 0.00 O ATOM 1723 CB ALA A 140 -2.379 -1.931 8.451 1.00 0.00 C ATOM 0 H ALA A 140 -0.745 -2.714 10.099 1.00 0.00 H new ATOM 0 HA ALA A 140 -3.510 -3.254 9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -3.183 -1.811 7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -2.420 -1.117 9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.418 -1.910 7.936 1.00 0.00 H new ATOM 1729 N LEU A 141 -1.336 -4.819 7.777 1.00 0.00 N ATOM 1730 CA LEU A 141 -1.179 -5.933 6.858 1.00 0.00 C ATOM 1731 C LEU A 141 -1.628 -7.224 7.545 1.00 0.00 C ATOM 1732 O LEU A 141 -2.353 -8.025 6.957 1.00 0.00 O ATOM 1733 CB LEU A 141 0.254 -5.988 6.322 1.00 0.00 C ATOM 1734 CG LEU A 141 0.447 -5.523 4.878 1.00 0.00 C ATOM 1735 CD1 LEU A 141 0.316 -6.697 3.903 1.00 0.00 C ATOM 1736 CD2 LEU A 141 -0.513 -4.383 4.534 1.00 0.00 C ATOM 0 H LEU A 141 -0.465 -4.359 8.043 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.817 -5.798 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 141 0.886 -5.378 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 141 0.612 -7.014 6.403 1.00 0.00 H new ATOM 0 HG LEU A 141 1.459 -5.131 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 141 0.457 -6.340 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 141 1.073 -7.447 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -0.675 -7.140 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -0.354 -4.072 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.541 -4.724 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -0.329 -3.539 5.199 1.00 0.00 H new ATOM 1747 N ILE A 142 -1.178 -7.386 8.781 1.00 0.00 N ATOM 1748 CA ILE A 142 -1.524 -8.567 9.555 1.00 0.00 C ATOM 1749 C ILE A 142 -3.004 -8.505 9.935 1.00 0.00 C ATOM 1750 O ILE A 142 -3.587 -9.510 10.342 1.00 0.00 O ATOM 1751 CB ILE A 142 -0.585 -8.715 10.755 1.00 0.00 C ATOM 1752 CG1 ILE A 142 0.869 -8.844 10.300 1.00 0.00 C ATOM 1753 CG2 ILE A 142 -1.014 -9.883 11.644 1.00 0.00 C ATOM 1754 CD1 ILE A 142 1.151 -10.245 9.754 1.00 0.00 C ATOM 0 H ILE A 142 -0.577 -6.719 9.266 1.00 0.00 H new ATOM 0 HA ILE A 142 -1.385 -9.469 8.959 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.654 -7.809 11.358 1.00 0.00 H new ATOM 0 HG12 ILE A 142 1.080 -8.101 9.531 1.00 0.00 H new ATOM 0 HG13 ILE A 142 1.535 -8.635 11.137 1.00 0.00 H new ATOM 0 HG21 ILE A 142 -0.331 -9.967 12.489 1.00 0.00 H new ATOM 0 HG22 ILE A 142 -2.026 -9.709 12.011 1.00 0.00 H new ATOM 0 HG23 ILE A 142 -0.992 -10.807 11.066 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.192 -10.309 9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.962 -10.984 10.533 1.00 0.00 H new ATOM 0 HD13 ILE A 142 0.500 -10.441 8.902 1.00 0.00 H new ATOM 1765 N SER A 143 -3.571 -7.316 9.790 1.00 0.00 N ATOM 1766 CA SER A 143 -4.973 -7.111 10.113 1.00 0.00 C ATOM 1767 C SER A 143 -5.856 -7.831 9.093 1.00 0.00 C ATOM 1768 O SER A 143 -6.848 -8.460 9.460 1.00 0.00 O ATOM 1769 CB SER A 143 -5.316 -5.621 10.153 1.00 0.00 C ATOM 1770 OG SER A 143 -6.533 -5.372 10.851 1.00 0.00 O ATOM 0 H SER A 143 -3.085 -6.485 9.453 1.00 0.00 H new ATOM 0 HA SER A 143 -5.160 -7.527 11.103 1.00 0.00 H new ATOM 0 HB2 SER A 143 -4.504 -5.075 10.633 1.00 0.00 H new ATOM 0 HB3 SER A 143 -5.398 -5.240 9.135 1.00 0.00 H new ATOM 0 HG SER A 143 -6.716 -4.409 10.856 1.00 0.00 H new ATOM 1775 N LEU A 144 -5.465 -7.715 7.832 1.00 0.00 N ATOM 1776 CA LEU A 144 -6.209 -8.348 6.757 1.00 0.00 C ATOM 1777 C LEU A 144 -6.030 -9.865 6.840 1.00 0.00 C ATOM 1778 O LEU A 144 -6.994 -10.598 7.052 1.00 0.00 O ATOM 1779 CB LEU A 144 -5.806 -7.755 5.405 1.00 0.00 C ATOM 1780 CG LEU A 144 -6.301 -6.336 5.120 1.00 0.00 C ATOM 1781 CD1 LEU A 144 -5.800 -5.843 3.762 1.00 0.00 C ATOM 1782 CD2 LEU A 144 -7.825 -6.254 5.235 1.00 0.00 C ATOM 0 H LEU A 144 -4.643 -7.192 7.531 1.00 0.00 H new ATOM 0 HA LEU A 144 -7.275 -8.147 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -4.718 -7.759 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.176 -8.412 4.618 1.00 0.00 H new ATOM 0 HG LEU A 144 -5.885 -5.670 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -6.166 -4.832 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -4.710 -5.841 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -6.166 -6.505 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -8.151 -5.235 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.281 -6.934 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -8.129 -6.534 6.243 1.00 0.00 H new ATOM 1793 N GLN A 145 -4.786 -10.291 6.672 1.00 0.00 N ATOM 1794 CA GLN A 145 -4.468 -11.709 6.726 1.00 0.00 C ATOM 1795 C GLN A 145 -5.103 -12.349 7.963 1.00 0.00 C ATOM 1796 O GLN A 145 -5.311 -13.560 8.001 1.00 0.00 O ATOM 1797 CB GLN A 145 -2.954 -11.931 6.710 1.00 0.00 C ATOM 1798 CG GLN A 145 -2.374 -11.856 8.124 1.00 0.00 C ATOM 1799 CD GLN A 145 -2.270 -13.249 8.749 1.00 0.00 C ATOM 1800 OE1 GLN A 145 -3.168 -13.723 9.426 1.00 0.00 O ATOM 1801 NE2 GLN A 145 -1.128 -13.876 8.484 1.00 0.00 N ATOM 0 H GLN A 145 -3.987 -9.680 6.499 1.00 0.00 H new ATOM 0 HA GLN A 145 -4.883 -12.189 5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -2.730 -12.904 6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -2.479 -11.180 6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -1.388 -11.393 8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -3.004 -11.221 8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -0.418 -13.421 7.910 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -0.962 -14.812 8.855 1.00 0.00 H new ATOM 1808 N TYR A 146 -5.394 -11.505 8.942 1.00 0.00 N ATOM 1809 CA TYR A 146 -6.002 -11.973 10.177 1.00 0.00 C ATOM 1810 C TYR A 146 -7.470 -12.345 9.959 1.00 0.00 C ATOM 1811 O TYR A 146 -8.010 -13.194 10.664 1.00 0.00 O ATOM 1812 CB TYR A 146 -5.924 -10.801 11.156 1.00 0.00 C ATOM 1813 CG TYR A 146 -4.882 -10.982 12.262 1.00 0.00 C ATOM 1814 CD1 TYR A 146 -3.738 -11.714 12.019 1.00 0.00 C ATOM 1815 CD2 TYR A 146 -5.087 -10.412 13.502 1.00 0.00 C ATOM 1816 CE1 TYR A 146 -2.758 -11.884 13.061 1.00 0.00 C ATOM 1817 CE2 TYR A 146 -4.107 -10.582 14.543 1.00 0.00 C ATOM 1818 CZ TYR A 146 -2.991 -11.309 14.271 1.00 0.00 C ATOM 1819 OH TYR A 146 -2.065 -11.470 15.254 1.00 0.00 O ATOM 0 H TYR A 146 -5.220 -10.501 8.906 1.00 0.00 H new ATOM 0 HA TYR A 146 -5.487 -12.860 10.546 1.00 0.00 H new ATOM 0 HB2 TYR A 146 -5.695 -9.892 10.600 1.00 0.00 H new ATOM 0 HB3 TYR A 146 -6.903 -10.657 11.613 1.00 0.00 H new ATOM 0 HD1 TYR A 146 -3.577 -12.159 11.048 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -5.982 -9.839 13.691 1.00 0.00 H new ATOM 0 HE1 TYR A 146 -1.858 -12.455 12.885 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -4.255 -10.142 15.518 1.00 0.00 H new ATOM 0 HH TYR A 146 -2.363 -11.004 16.063 1.00 0.00 H new ATOM 1828 N ARG A 147 -8.074 -11.689 8.979 1.00 0.00 N ATOM 1829 CA ARG A 147 -9.469 -11.939 8.659 1.00 0.00 C ATOM 1830 C ARG A 147 -9.581 -13.014 7.577 1.00 0.00 C ATOM 1831 O ARG A 147 -10.565 -13.057 6.839 1.00 0.00 O ATOM 1832 CB ARG A 147 -10.160 -10.662 8.175 1.00 0.00 C ATOM 1833 CG ARG A 147 -11.009 -10.043 9.287 1.00 0.00 C ATOM 1834 CD ARG A 147 -10.183 -9.066 10.128 1.00 0.00 C ATOM 1835 NE ARG A 147 -11.064 -8.332 11.063 1.00 0.00 N ATOM 1836 CZ ARG A 147 -10.654 -7.330 11.852 1.00 0.00 C ATOM 1837 NH1 ARG A 147 -9.374 -6.937 11.824 1.00 0.00 N ATOM 1838 NH2 ARG A 147 -11.524 -6.722 12.670 1.00 0.00 N ATOM 0 H ARG A 147 -7.622 -10.984 8.396 1.00 0.00 H new ATOM 0 HA ARG A 147 -9.962 -12.283 9.568 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -9.412 -9.943 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -10.790 -10.889 7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.862 -9.523 8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -11.409 -10.831 9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -9.419 -9.609 10.685 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -9.663 -8.363 9.477 1.00 0.00 H new ATOM 0 HE ARG A 147 -12.045 -8.606 11.110 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -8.712 -7.401 11.202 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -9.061 -6.174 12.425 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -12.499 -7.022 12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -11.212 -5.959 13.271 1.00 0.00 H new ATOM 1849 N SER A 148 -8.558 -13.854 7.513 1.00 0.00 N ATOM 1850 CA SER A 148 -8.530 -14.926 6.533 1.00 0.00 C ATOM 1851 C SER A 148 -8.689 -16.278 7.230 1.00 0.00 C ATOM 1852 O SER A 148 -8.157 -17.286 6.767 1.00 0.00 O ATOM 1853 CB SER A 148 -7.232 -14.896 5.723 1.00 0.00 C ATOM 1854 OG SER A 148 -7.450 -15.223 4.352 1.00 0.00 O ATOM 0 H SER A 148 -7.742 -13.814 8.124 1.00 0.00 H new ATOM 0 HA SER A 148 -9.362 -14.781 5.844 1.00 0.00 H new ATOM 0 HB2 SER A 148 -6.784 -13.905 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 148 -6.519 -15.599 6.154 1.00 0.00 H new ATOM 0 HG SER A 148 -7.551 -14.399 3.831 1.00 0.00 H new ATOM 1859 N THR A 149 -9.425 -16.256 8.332 1.00 0.00 N ATOM 1860 CA THR A 149 -9.661 -17.468 9.098 1.00 0.00 C ATOM 1861 C THR A 149 -10.640 -17.194 10.241 1.00 0.00 C ATOM 1862 O THR A 149 -11.500 -18.021 10.539 1.00 0.00 O ATOM 1863 CB THR A 149 -8.307 -18.000 9.572 1.00 0.00 C ATOM 1864 OG1 THR A 149 -8.391 -19.406 9.356 1.00 0.00 O ATOM 1865 CG2 THR A 149 -8.122 -17.865 11.085 1.00 0.00 C ATOM 0 H THR A 149 -9.865 -15.418 8.712 1.00 0.00 H new ATOM 0 HA THR A 149 -10.132 -18.237 8.486 1.00 0.00 H new ATOM 0 HB THR A 149 -7.507 -17.465 9.060 1.00 0.00 H new ATOM 0 HG1 THR A 149 -7.553 -19.830 9.635 1.00 0.00 H new ATOM 0 HG21 THR A 149 -7.145 -18.257 11.369 1.00 0.00 H new ATOM 0 HG22 THR A 149 -8.187 -16.814 11.367 1.00 0.00 H new ATOM 0 HG23 THR A 149 -8.902 -18.427 11.599 1.00 0.00 H new ATOM 1873 N LEU A 150 -10.477 -16.029 10.852 1.00 0.00 N ATOM 1874 CA LEU A 150 -11.335 -15.635 11.956 1.00 0.00 C ATOM 1875 C LEU A 150 -12.427 -14.697 11.438 1.00 0.00 C ATOM 1876 O LEU A 150 -12.702 -14.662 10.239 1.00 0.00 O ATOM 1877 CB LEU A 150 -10.504 -15.042 13.095 1.00 0.00 C ATOM 1878 CG LEU A 150 -10.087 -13.579 12.931 1.00 0.00 C ATOM 1879 CD1 LEU A 150 -10.919 -12.668 13.835 1.00 0.00 C ATOM 1880 CD2 LEU A 150 -8.586 -13.406 13.169 1.00 0.00 C ATOM 0 H LEU A 150 -9.763 -15.345 10.603 1.00 0.00 H new ATOM 0 HA LEU A 150 -11.836 -16.506 12.378 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -11.073 -15.135 14.020 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -9.603 -15.645 13.213 1.00 0.00 H new ATOM 0 HG LEU A 150 -10.286 -13.281 11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -10.603 -11.634 13.699 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -11.973 -12.762 13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -10.775 -12.958 14.876 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -8.317 -12.357 13.046 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -8.338 -13.728 14.180 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -8.032 -14.009 12.450 1.00 0.00 H new