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 135 ASN : amide:sc= -1.09 K(o=-7.5,f=-11!) USER MOD Set 1.2: A 138 MET CE :methyl -139:sc= -6.42! (180deg=-6.77!) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -4.37! C(o=-4!,f=-7.8!) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.366 K(o=-4,f=-6.5!) USER MOD Set 3.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 60 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-3.9!) USER MOD Set 4.1: A 26 GLN : amide:sc= -8.24! C(o=-7.6!,f=-16!) USER MOD Set 4.2: A 27 LYS NZ :NH3+ 133:sc= 0.625 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -7.29! C(o=-7.3!,f=-11!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= -0.0124 (180deg=-0.0559) USER MOD Single : A 68 MET CE :methyl 169:sc= -2.86! (180deg=-2.96!) USER MOD Single : A 70 CYS SG : rot 180:sc= -10.1! USER MOD Single : A 71 CYS SG : rot 124:sc= -2.38! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -137:sc= -2.42 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.682) USER MOD Single : A 96 MET CE :methyl -177:sc= -2.46 (180deg=-2.62) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0416 K(o=-0.042,f=-0.81) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -4.56! C(o=-5.1!,f=-4.6!) USER MOD Single : A 119 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.074) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -89:sc= -9.82! 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 136 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.45) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN :FLIP amide:sc= -0.297 F(o=-1,f=-0.3) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 82:sc= 0.843 USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N GLN A 26 -7.801 9.707 -5.441 1.00 0.00 N ATOM 61 CA GLN A 26 -8.229 9.747 -6.829 1.00 0.00 C ATOM 62 C GLN A 26 -7.302 10.651 -7.644 1.00 0.00 C ATOM 63 O GLN A 26 -7.165 10.477 -8.854 1.00 0.00 O ATOM 64 CB GLN A 26 -9.683 10.208 -6.943 1.00 0.00 C ATOM 65 CG GLN A 26 -9.786 11.730 -6.823 1.00 0.00 C ATOM 66 CD GLN A 26 -10.404 12.338 -8.083 1.00 0.00 C ATOM 67 OE1 GLN A 26 -10.449 11.730 -9.139 1.00 0.00 O ATOM 68 NE2 GLN A 26 -10.876 13.570 -7.912 1.00 0.00 N ATOM 0 HA GLN A 26 -8.170 8.737 -7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.097 9.886 -7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.280 9.737 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.392 11.990 -5.955 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.795 12.153 -6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.806 14.021 -7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.308 14.064 -8.693 1.00 0.00 H new ATOM 75 N LYS A 27 -6.688 11.597 -6.948 1.00 0.00 N ATOM 76 CA LYS A 27 -5.778 12.529 -7.592 1.00 0.00 C ATOM 77 C LYS A 27 -4.336 12.097 -7.320 1.00 0.00 C ATOM 78 O LYS A 27 -3.447 12.936 -7.190 1.00 0.00 O ATOM 79 CB LYS A 27 -6.083 13.963 -7.154 1.00 0.00 C ATOM 80 CG LYS A 27 -6.729 14.758 -8.292 1.00 0.00 C ATOM 81 CD LYS A 27 -8.161 14.284 -8.547 1.00 0.00 C ATOM 82 CE LYS A 27 -8.203 13.243 -9.668 1.00 0.00 C ATOM 83 NZ LYS A 27 -9.302 13.544 -10.613 1.00 0.00 N ATOM 0 H LYS A 27 -6.803 11.738 -5.944 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.917 12.513 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.749 13.950 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.163 14.454 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.732 15.819 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.138 14.645 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.574 13.857 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.788 15.135 -8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.251 13.233 -10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.342 12.249 -9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.948 13.481 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.072 12.858 -10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.659 14.505 -10.436 1.00 0.00 H new ATOM 93 N ASN A 28 -4.149 10.787 -7.244 1.00 0.00 N ATOM 94 CA ASN A 28 -2.830 10.233 -6.991 1.00 0.00 C ATOM 95 C ASN A 28 -2.835 8.741 -7.330 1.00 0.00 C ATOM 96 O ASN A 28 -2.010 7.983 -6.822 1.00 0.00 O ATOM 97 CB ASN A 28 -2.443 10.382 -5.518 1.00 0.00 C ATOM 98 CG ASN A 28 -1.079 11.060 -5.375 1.00 0.00 C ATOM 99 OD1 ASN A 28 -0.377 11.309 -6.340 1.00 0.00 O ATOM 100 ND2 ASN A 28 -0.746 11.344 -4.118 1.00 0.00 N ATOM 0 H ASN A 28 -4.889 10.094 -7.353 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.113 10.774 -7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.200 10.967 -4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.417 9.401 -5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.145 11.798 -3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.382 11.108 -3.356 1.00 0.00 H new ATOM 106 N ILE A 29 -3.773 8.364 -8.186 1.00 0.00 N ATOM 107 CA ILE A 29 -3.896 6.977 -8.599 1.00 0.00 C ATOM 108 C ILE A 29 -3.484 6.848 -10.066 1.00 0.00 C ATOM 109 O ILE A 29 -2.394 7.271 -10.449 1.00 0.00 O ATOM 110 CB ILE A 29 -5.303 6.453 -8.306 1.00 0.00 C ATOM 111 CG1 ILE A 29 -6.354 7.538 -8.554 1.00 0.00 C ATOM 112 CG2 ILE A 29 -5.393 5.882 -6.890 1.00 0.00 C ATOM 113 CD1 ILE A 29 -6.428 7.900 -10.039 1.00 0.00 C ATOM 0 H ILE A 29 -4.455 8.996 -8.605 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.220 6.346 -8.021 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.513 5.636 -8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.329 7.190 -8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.110 8.426 -7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.404 5.517 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.685 5.060 -6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.154 6.662 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.182 8.673 -10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.458 8.270 -10.372 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.696 7.015 -10.616 1.00 0.00 H new ATOM 124 N ASP A 30 -4.377 6.260 -10.849 1.00 0.00 N ATOM 125 CA ASP A 30 -4.120 6.070 -12.267 1.00 0.00 C ATOM 126 C ASP A 30 -5.385 5.535 -12.942 1.00 0.00 C ATOM 127 O ASP A 30 -6.148 6.300 -13.532 1.00 0.00 O ATOM 128 CB ASP A 30 -2.999 5.053 -12.491 1.00 0.00 C ATOM 129 CG ASP A 30 -3.103 4.253 -13.792 1.00 0.00 C ATOM 130 OD1 ASP A 30 -2.992 4.890 -14.860 1.00 0.00 O ATOM 131 OD2 ASP A 30 -3.292 3.022 -13.685 1.00 0.00 O ATOM 0 H ASP A 30 -5.279 5.909 -10.528 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.826 7.031 -12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.044 5.579 -12.481 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.988 4.356 -11.653 1.00 0.00 H new ATOM 135 N GLY A 31 -5.568 4.228 -12.834 1.00 0.00 N ATOM 136 CA GLY A 31 -6.727 3.583 -13.427 1.00 0.00 C ATOM 137 C GLY A 31 -7.920 3.608 -12.469 1.00 0.00 C ATOM 138 O GLY A 31 -9.040 3.282 -12.857 1.00 0.00 O ATOM 0 H GLY A 31 -4.933 3.598 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.992 4.087 -14.356 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.483 2.552 -13.682 1.00 0.00 H new ATOM 142 N TRP A 32 -7.638 4.000 -11.235 1.00 0.00 N ATOM 143 CA TRP A 32 -8.672 4.073 -10.218 1.00 0.00 C ATOM 144 C TRP A 32 -9.697 2.974 -10.507 1.00 0.00 C ATOM 145 O TRP A 32 -10.666 3.198 -11.230 1.00 0.00 O ATOM 146 CB TRP A 32 -9.294 5.470 -10.166 1.00 0.00 C ATOM 147 CG TRP A 32 -10.628 5.530 -9.420 1.00 0.00 C ATOM 148 CD1 TRP A 32 -11.857 5.320 -9.909 1.00 0.00 C ATOM 149 CD2 TRP A 32 -10.817 5.831 -8.020 1.00 0.00 C ATOM 150 NE1 TRP A 32 -12.822 5.463 -8.932 1.00 0.00 N ATOM 151 CE2 TRP A 32 -12.168 5.784 -7.748 1.00 0.00 C ATOM 152 CE3 TRP A 32 -9.877 6.133 -7.020 1.00 0.00 C ATOM 153 CZ2 TRP A 32 -12.704 6.028 -6.476 1.00 0.00 C ATOM 154 CZ3 TRP A 32 -10.428 6.375 -5.755 1.00 0.00 C ATOM 155 CH2 TRP A 32 -11.786 6.331 -5.463 1.00 0.00 C ATOM 0 H TRP A 32 -6.707 4.270 -10.917 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.250 3.905 -9.227 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.591 6.152 -9.688 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.443 5.828 -11.185 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.067 5.070 -10.939 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.828 5.353 -9.056 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.815 6.175 -7.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.767 5.985 -6.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.749 6.613 -4.949 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -12.132 6.530 -4.459 1.00 0.00 H new ATOM 300 N PHE A 44 -11.725 1.912 3.573 1.00 0.00 N ATOM 301 CA PHE A 44 -10.273 1.949 3.601 1.00 0.00 C ATOM 302 C PHE A 44 -9.736 1.411 4.929 1.00 0.00 C ATOM 303 O PHE A 44 -9.945 2.018 5.979 1.00 0.00 O ATOM 304 CB PHE A 44 -9.860 3.414 3.453 1.00 0.00 C ATOM 305 CG PHE A 44 -9.817 4.185 4.774 1.00 0.00 C ATOM 306 CD1 PHE A 44 -10.963 4.689 5.305 1.00 0.00 C ATOM 307 CD2 PHE A 44 -8.632 4.365 5.418 1.00 0.00 C ATOM 308 CE1 PHE A 44 -10.923 5.404 6.531 1.00 0.00 C ATOM 309 CE2 PHE A 44 -8.592 5.080 6.644 1.00 0.00 C ATOM 310 CZ PHE A 44 -9.738 5.584 7.175 1.00 0.00 C ATOM 0 HA PHE A 44 -9.870 1.330 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.876 3.458 2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.556 3.911 2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.904 4.545 4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.722 3.964 4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.833 5.805 6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.651 5.224 7.155 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.708 6.127 8.108 1.00 0.00 H new ATOM 319 N ILE A 45 -9.055 0.278 4.840 1.00 0.00 N ATOM 320 CA ILE A 45 -8.486 -0.347 6.022 1.00 0.00 C ATOM 321 C ILE A 45 -7.553 0.643 6.720 1.00 0.00 C ATOM 322 O ILE A 45 -7.844 1.105 7.822 1.00 0.00 O ATOM 323 CB ILE A 45 -7.815 -1.673 5.656 1.00 0.00 C ATOM 324 CG1 ILE A 45 -8.804 -2.619 4.973 1.00 0.00 C ATOM 325 CG2 ILE A 45 -7.162 -2.313 6.882 1.00 0.00 C ATOM 326 CD1 ILE A 45 -9.805 -3.186 5.982 1.00 0.00 C ATOM 0 H ILE A 45 -8.884 -0.223 3.968 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.271 -0.599 6.734 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.021 -1.467 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.338 -2.087 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.262 -3.435 4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -6.692 -3.254 6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.407 -1.639 7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.921 -2.503 7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.497 -3.855 5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.270 -3.738 6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.362 -2.369 6.440 1.00 0.00 H new ATOM 337 N MET A 46 -6.451 0.942 6.048 1.00 0.00 N ATOM 338 CA MET A 46 -5.472 1.870 6.590 1.00 0.00 C ATOM 339 C MET A 46 -4.855 2.724 5.482 1.00 0.00 C ATOM 340 O MET A 46 -4.637 2.244 4.371 1.00 0.00 O ATOM 341 CB MET A 46 -4.370 1.088 7.307 1.00 0.00 C ATOM 342 CG MET A 46 -3.653 0.141 6.342 1.00 0.00 C ATOM 343 SD MET A 46 -1.894 0.179 6.643 1.00 0.00 S ATOM 344 CE MET A 46 -1.440 1.591 5.652 1.00 0.00 C ATOM 0 H MET A 46 -6.214 0.558 5.133 1.00 0.00 H new ATOM 0 HA MET A 46 -5.976 2.532 7.294 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.651 1.782 7.742 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.801 0.517 8.130 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.030 -0.874 6.468 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.860 0.432 5.312 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.365 1.758 5.727 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.707 1.406 4.612 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.970 2.473 6.011 1.00 0.00 H new ATOM 352 N GLU A 47 -4.590 3.977 5.823 1.00 0.00 N ATOM 353 CA GLU A 47 -4.002 4.904 4.869 1.00 0.00 C ATOM 354 C GLU A 47 -2.637 5.382 5.368 1.00 0.00 C ATOM 355 O GLU A 47 -2.513 5.846 6.500 1.00 0.00 O ATOM 356 CB GLU A 47 -4.935 6.087 4.608 1.00 0.00 C ATOM 357 CG GLU A 47 -5.136 6.918 5.877 1.00 0.00 C ATOM 358 CD GLU A 47 -4.620 8.346 5.684 1.00 0.00 C ATOM 359 OE1 GLU A 47 -4.826 8.879 4.572 1.00 0.00 O ATOM 360 OE2 GLU A 47 -4.032 8.872 6.653 1.00 0.00 O ATOM 0 H GLU A 47 -4.771 4.372 6.746 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.859 4.381 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.520 6.715 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.898 5.723 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.194 6.942 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.614 6.448 6.710 1.00 0.00 H new ATOM 365 N GLY A 48 -1.646 5.250 4.498 1.00 0.00 N ATOM 366 CA GLY A 48 -0.294 5.663 4.836 1.00 0.00 C ATOM 367 C GLY A 48 0.613 5.628 3.605 1.00 0.00 C ATOM 368 O GLY A 48 0.240 5.078 2.569 1.00 0.00 O ATOM 0 H GLY A 48 -1.752 4.863 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.311 6.671 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.108 5.007 5.608 1.00 0.00 H new ATOM 372 N THR A 49 1.788 6.221 3.758 1.00 0.00 N ATOM 373 CA THR A 49 2.752 6.264 2.672 1.00 0.00 C ATOM 374 C THR A 49 4.032 5.522 3.064 1.00 0.00 C ATOM 375 O THR A 49 4.699 5.896 4.027 1.00 0.00 O ATOM 376 CB THR A 49 2.988 7.731 2.307 1.00 0.00 C ATOM 377 OG1 THR A 49 1.908 8.422 2.929 1.00 0.00 O ATOM 378 CG2 THR A 49 2.792 8.001 0.814 1.00 0.00 C ATOM 0 H THR A 49 2.094 6.676 4.618 1.00 0.00 H new ATOM 0 HA THR A 49 2.374 5.750 1.788 1.00 0.00 H new ATOM 0 HB THR A 49 3.998 8.020 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.984 9.381 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.971 9.056 0.608 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.493 7.395 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.772 7.744 0.529 1.00 0.00 H new ATOM 386 N LEU A 50 4.335 4.485 2.299 1.00 0.00 N ATOM 387 CA LEU A 50 5.522 3.687 2.554 1.00 0.00 C ATOM 388 C LEU A 50 6.528 3.901 1.422 1.00 0.00 C ATOM 389 O LEU A 50 6.151 3.944 0.252 1.00 0.00 O ATOM 390 CB LEU A 50 5.145 2.221 2.773 1.00 0.00 C ATOM 391 CG LEU A 50 4.176 1.941 3.923 1.00 0.00 C ATOM 392 CD1 LEU A 50 2.737 2.270 3.520 1.00 0.00 C ATOM 393 CD2 LEU A 50 4.316 0.501 4.422 1.00 0.00 C ATOM 0 H LEU A 50 3.779 4.178 1.501 1.00 0.00 H new ATOM 0 HA LEU A 50 6.006 4.008 3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.705 1.839 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.059 1.654 2.949 1.00 0.00 H new ATOM 0 HG LEU A 50 4.436 2.596 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.069 2.062 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.666 3.324 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.450 1.658 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.616 0.329 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.099 -0.189 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.334 0.336 4.776 1.00 0.00 H new ATOM 404 N THR A 51 7.788 4.031 1.809 1.00 0.00 N ATOM 405 CA THR A 51 8.852 4.240 0.842 1.00 0.00 C ATOM 406 C THR A 51 9.346 2.899 0.295 1.00 0.00 C ATOM 407 O THR A 51 9.470 1.927 1.040 1.00 0.00 O ATOM 408 CB THR A 51 9.951 5.062 1.516 1.00 0.00 C ATOM 409 OG1 THR A 51 9.638 6.409 1.171 1.00 0.00 O ATOM 410 CG2 THR A 51 11.327 4.827 0.889 1.00 0.00 C ATOM 0 H THR A 51 8.096 3.996 2.781 1.00 0.00 H new ATOM 0 HA THR A 51 8.495 4.798 -0.024 1.00 0.00 H new ATOM 0 HB THR A 51 9.989 4.815 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.301 7.011 1.569 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.070 5.435 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.593 3.774 0.979 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.299 5.105 -0.165 1.00 0.00 H new ATOM 418 N ARG A 52 9.614 2.888 -1.002 1.00 0.00 N ATOM 419 CA ARG A 52 10.092 1.682 -1.658 1.00 0.00 C ATOM 420 C ARG A 52 11.620 1.681 -1.718 1.00 0.00 C ATOM 421 O ARG A 52 12.211 2.303 -2.600 1.00 0.00 O ATOM 422 CB ARG A 52 9.532 1.568 -3.077 1.00 0.00 C ATOM 423 CG ARG A 52 9.408 0.103 -3.502 1.00 0.00 C ATOM 424 CD ARG A 52 10.156 -0.153 -4.811 1.00 0.00 C ATOM 425 NE ARG A 52 10.468 -1.595 -4.942 1.00 0.00 N ATOM 426 CZ ARG A 52 9.620 -2.504 -5.441 1.00 0.00 C ATOM 427 NH1 ARG A 52 8.404 -2.130 -5.859 1.00 0.00 N ATOM 428 NH2 ARG A 52 9.989 -3.790 -5.521 1.00 0.00 N ATOM 0 H ARG A 52 9.509 3.695 -1.617 1.00 0.00 H new ATOM 0 HA ARG A 52 9.748 0.828 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.555 2.048 -3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.183 2.098 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.807 -0.542 -2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.356 -0.156 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.550 0.175 -5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.077 0.430 -4.834 1.00 0.00 H new ATOM 0 HE ARG A 52 11.386 -1.916 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.122 -1.152 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.760 -2.824 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.915 -4.076 -5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.344 -4.483 -5.901 1.00 0.00 H new ATOM 439 N VAL A 53 12.217 0.975 -0.770 1.00 0.00 N ATOM 440 CA VAL A 53 13.666 0.884 -0.704 1.00 0.00 C ATOM 441 C VAL A 53 14.147 -0.235 -1.630 1.00 0.00 C ATOM 442 O VAL A 53 14.602 -1.278 -1.164 1.00 0.00 O ATOM 443 CB VAL A 53 14.114 0.694 0.747 1.00 0.00 C ATOM 444 CG1 VAL A 53 15.421 -0.100 0.818 1.00 0.00 C ATOM 445 CG2 VAL A 53 14.250 2.040 1.461 1.00 0.00 C ATOM 0 H VAL A 53 11.724 0.460 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 53 14.122 1.811 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 53 13.344 0.119 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.717 -0.221 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.276 -1.081 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.202 0.436 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.569 1.875 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.989 2.652 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.288 2.553 1.457 1.00 0.00 H new ATOM 455 N GLY A 54 14.027 0.020 -2.925 1.00 0.00 N ATOM 456 CA GLY A 54 14.443 -0.954 -3.920 1.00 0.00 C ATOM 457 C GLY A 54 14.962 -0.261 -5.181 1.00 0.00 C ATOM 458 O GLY A 54 15.335 -0.923 -6.150 1.00 0.00 O ATOM 0 H GLY A 54 13.648 0.886 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.222 -1.593 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.603 -1.600 -4.175 1.00 0.00 H new ATOM 462 N ALA A 55 14.971 1.063 -5.130 1.00 0.00 N ATOM 463 CA ALA A 55 15.439 1.853 -6.256 1.00 0.00 C ATOM 464 C ALA A 55 15.173 3.334 -5.980 1.00 0.00 C ATOM 465 O ALA A 55 14.879 4.097 -6.899 1.00 0.00 O ATOM 466 CB ALA A 55 14.760 1.367 -7.538 1.00 0.00 C ATOM 0 H ALA A 55 14.661 1.609 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 55 16.514 1.731 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.111 1.960 -8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.005 0.318 -7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.680 1.477 -7.442 1.00 0.00 H new ATOM 472 N LYS A 56 15.286 3.696 -4.710 1.00 0.00 N ATOM 473 CA LYS A 56 15.061 5.072 -4.302 1.00 0.00 C ATOM 474 C LYS A 56 13.752 5.574 -4.915 1.00 0.00 C ATOM 475 O LYS A 56 13.765 6.290 -5.916 1.00 0.00 O ATOM 476 CB LYS A 56 16.273 5.939 -4.647 1.00 0.00 C ATOM 477 CG LYS A 56 17.009 6.382 -3.382 1.00 0.00 C ATOM 478 CD LYS A 56 16.487 7.732 -2.887 1.00 0.00 C ATOM 479 CE LYS A 56 17.308 8.884 -3.468 1.00 0.00 C ATOM 480 NZ LYS A 56 16.570 9.545 -4.568 1.00 0.00 N ATOM 0 H LYS A 56 15.530 3.060 -3.951 1.00 0.00 H new ATOM 0 HA LYS A 56 14.951 5.134 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.953 5.380 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.950 6.815 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.883 5.631 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 56 18.077 6.454 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.441 7.847 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 56 16.528 7.765 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.532 9.609 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 56 18.262 8.508 -3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.213 9.706 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.783 8.937 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.195 10.457 -4.236 1.00 0.00 H new ATOM 490 N HIS A 57 12.653 5.180 -4.289 1.00 0.00 N ATOM 491 CA HIS A 57 11.338 5.581 -4.761 1.00 0.00 C ATOM 492 C HIS A 57 10.305 5.349 -3.657 1.00 0.00 C ATOM 493 O HIS A 57 10.427 4.408 -2.875 1.00 0.00 O ATOM 494 CB HIS A 57 10.986 4.860 -6.065 1.00 0.00 C ATOM 495 CG HIS A 57 11.762 5.347 -7.265 1.00 0.00 C ATOM 496 ND1 HIS A 57 11.904 6.689 -7.571 1.00 0.00 N ATOM 497 CD2 HIS A 57 12.437 4.658 -8.228 1.00 0.00 C ATOM 498 CE1 HIS A 57 12.633 6.792 -8.673 1.00 0.00 C ATOM 499 NE2 HIS A 57 12.961 5.532 -9.080 1.00 0.00 N ATOM 0 H HIS A 57 12.646 4.587 -3.459 1.00 0.00 H new ATOM 0 HA HIS A 57 11.339 6.646 -4.992 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.166 3.792 -5.938 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.921 4.983 -6.260 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.530 3.584 -8.288 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.917 7.712 -9.163 1.00 0.00 H new ATOM 0 HE2 HIS A 57 13.517 5.299 -9.903 1.00 0.00 H new ATOM 506 N GLU A 58 9.309 6.222 -3.630 1.00 0.00 N ATOM 507 CA GLU A 58 8.255 6.125 -2.635 1.00 0.00 C ATOM 508 C GLU A 58 6.930 5.746 -3.301 1.00 0.00 C ATOM 509 O GLU A 58 6.842 5.683 -4.526 1.00 0.00 O ATOM 510 CB GLU A 58 8.120 7.430 -1.849 1.00 0.00 C ATOM 511 CG GLU A 58 7.631 8.565 -2.750 1.00 0.00 C ATOM 512 CD GLU A 58 8.795 9.454 -3.193 1.00 0.00 C ATOM 513 OE1 GLU A 58 9.180 10.329 -2.388 1.00 0.00 O ATOM 514 OE2 GLU A 58 9.275 9.238 -4.328 1.00 0.00 O ATOM 0 H GLU A 58 9.210 7.000 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 58 8.522 5.340 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.423 7.291 -1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.082 7.697 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.132 8.150 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.893 9.165 -2.217 1.00 0.00 H new ATOM 519 N ARG A 59 5.930 5.506 -2.464 1.00 0.00 N ATOM 520 CA ARG A 59 4.615 5.137 -2.957 1.00 0.00 C ATOM 521 C ARG A 59 3.565 5.326 -1.860 1.00 0.00 C ATOM 522 O ARG A 59 3.838 5.083 -0.685 1.00 0.00 O ATOM 523 CB ARG A 59 4.592 3.682 -3.429 1.00 0.00 C ATOM 524 CG ARG A 59 5.608 2.838 -2.655 1.00 0.00 C ATOM 525 CD ARG A 59 5.477 1.356 -3.013 1.00 0.00 C ATOM 526 NE ARG A 59 5.985 1.119 -4.383 1.00 0.00 N ATOM 527 CZ ARG A 59 5.235 1.215 -5.489 1.00 0.00 C ATOM 528 NH1 ARG A 59 3.939 1.543 -5.393 1.00 0.00 N ATOM 529 NH2 ARG A 59 5.780 0.983 -6.690 1.00 0.00 N ATOM 0 H ARG A 59 6.005 5.560 -1.448 1.00 0.00 H new ATOM 0 HA ARG A 59 4.384 5.785 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.593 3.268 -3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.815 3.638 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.618 3.182 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.456 2.972 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.036 0.750 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.434 1.048 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 59 6.967 0.867 -4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.524 1.719 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.368 1.616 -6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.766 0.733 -6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.209 1.056 -7.532 1.00 0.00 H new ATOM 540 N HIS A 60 2.386 5.758 -2.282 1.00 0.00 N ATOM 541 CA HIS A 60 1.294 5.983 -1.350 1.00 0.00 C ATOM 542 C HIS A 60 0.483 4.696 -1.190 1.00 0.00 C ATOM 543 O HIS A 60 -0.343 4.369 -2.041 1.00 0.00 O ATOM 544 CB HIS A 60 0.438 7.172 -1.793 1.00 0.00 C ATOM 545 CG HIS A 60 -0.291 7.858 -0.662 1.00 0.00 C ATOM 546 ND1 HIS A 60 -0.735 9.166 -0.741 1.00 0.00 N ATOM 547 CD2 HIS A 60 -0.652 7.402 0.572 1.00 0.00 C ATOM 548 CE1 HIS A 60 -1.332 9.475 0.401 1.00 0.00 C ATOM 549 NE2 HIS A 60 -1.279 8.381 1.213 1.00 0.00 N ATOM 0 H HIS A 60 2.163 5.958 -3.257 1.00 0.00 H new ATOM 0 HA HIS A 60 1.695 6.243 -0.370 1.00 0.00 H new ATOM 0 HB2 HIS A 60 1.076 7.899 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.291 6.828 -2.527 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.460 6.413 0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.781 10.426 0.646 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.659 8.324 2.158 1.00 0.00 H new ATOM 556 N ILE A 61 0.746 4.001 -0.093 1.00 0.00 N ATOM 557 CA ILE A 61 0.051 2.757 0.190 1.00 0.00 C ATOM 558 C ILE A 61 -1.351 3.070 0.717 1.00 0.00 C ATOM 559 O ILE A 61 -1.555 4.083 1.384 1.00 0.00 O ATOM 560 CB ILE A 61 0.880 1.881 1.131 1.00 0.00 C ATOM 561 CG1 ILE A 61 2.335 1.800 0.664 1.00 0.00 C ATOM 562 CG2 ILE A 61 0.251 0.496 1.288 1.00 0.00 C ATOM 563 CD1 ILE A 61 2.432 1.159 -0.721 1.00 0.00 C ATOM 0 H ILE A 61 1.431 4.276 0.611 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.073 2.174 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 61 0.883 2.346 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.768 2.800 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.918 1.219 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.860 -0.106 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.753 0.597 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.197 0.008 0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.477 1.114 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.020 0.150 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.868 1.755 -1.438 1.00 0.00 H new ATOM 574 N PHE A 62 -2.280 2.181 0.398 1.00 0.00 N ATOM 575 CA PHE A 62 -3.658 2.349 0.831 1.00 0.00 C ATOM 576 C PHE A 62 -4.416 1.022 0.775 1.00 0.00 C ATOM 577 O PHE A 62 -4.948 0.651 -0.270 1.00 0.00 O ATOM 578 CB PHE A 62 -4.312 3.338 -0.136 1.00 0.00 C ATOM 579 CG PHE A 62 -4.617 4.704 0.483 1.00 0.00 C ATOM 580 CD1 PHE A 62 -5.693 4.854 1.302 1.00 0.00 C ATOM 581 CD2 PHE A 62 -3.813 5.767 0.215 1.00 0.00 C ATOM 582 CE1 PHE A 62 -5.976 6.122 1.877 1.00 0.00 C ATOM 583 CE2 PHE A 62 -4.096 7.035 0.790 1.00 0.00 C ATOM 584 CZ PHE A 62 -5.172 7.185 1.608 1.00 0.00 C ATOM 0 H PHE A 62 -2.106 1.342 -0.155 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.684 2.708 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.656 3.478 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.240 2.905 -0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.332 4.010 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.959 5.648 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.830 6.242 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.457 7.879 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.388 8.149 2.044 1.00 0.00 H new ATOM 593 N LEU A 63 -4.441 0.343 1.913 1.00 0.00 N ATOM 594 CA LEU A 63 -5.126 -0.935 2.006 1.00 0.00 C ATOM 595 C LEU A 63 -6.625 -0.693 2.189 1.00 0.00 C ATOM 596 O LEU A 63 -7.049 -0.141 3.203 1.00 0.00 O ATOM 597 CB LEU A 63 -4.503 -1.797 3.106 1.00 0.00 C ATOM 598 CG LEU A 63 -5.301 -3.035 3.521 1.00 0.00 C ATOM 599 CD1 LEU A 63 -5.245 -4.112 2.435 1.00 0.00 C ATOM 600 CD2 LEU A 63 -4.828 -3.563 4.877 1.00 0.00 C ATOM 0 H LEU A 63 -3.998 0.654 2.778 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.005 -1.501 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.517 -2.120 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.353 -1.174 3.987 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.346 -2.746 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.820 -4.981 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.666 -3.718 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.209 -4.405 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.411 -4.443 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.773 -3.832 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.962 -2.791 5.635 1.00 0.00 H new ATOM 611 N PHE A 64 -7.387 -1.118 1.192 1.00 0.00 N ATOM 612 CA PHE A 64 -8.830 -0.955 1.230 1.00 0.00 C ATOM 613 C PHE A 64 -9.512 -2.219 1.757 1.00 0.00 C ATOM 614 O PHE A 64 -9.036 -3.329 1.519 1.00 0.00 O ATOM 615 CB PHE A 64 -9.290 -0.703 -0.208 1.00 0.00 C ATOM 616 CG PHE A 64 -8.595 0.481 -0.884 1.00 0.00 C ATOM 617 CD1 PHE A 64 -8.162 1.533 -0.139 1.00 0.00 C ATOM 618 CD2 PHE A 64 -8.410 0.481 -2.232 1.00 0.00 C ATOM 619 CE1 PHE A 64 -7.517 2.631 -0.767 1.00 0.00 C ATOM 620 CE2 PHE A 64 -7.765 1.578 -2.860 1.00 0.00 C ATOM 621 CZ PHE A 64 -7.333 2.630 -2.114 1.00 0.00 C ATOM 0 H PHE A 64 -7.032 -1.575 0.352 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.093 -0.130 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -9.112 -1.602 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -10.366 -0.529 -0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.309 1.533 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.754 -0.354 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.173 3.466 -0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.617 1.578 -3.930 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.843 3.465 -2.592 1.00 0.00 H new ATOM 630 N ASP A 65 -10.614 -2.009 2.461 1.00 0.00 N ATOM 631 CA ASP A 65 -11.365 -3.119 3.023 1.00 0.00 C ATOM 632 C ASP A 65 -11.788 -4.065 1.897 1.00 0.00 C ATOM 633 O ASP A 65 -12.206 -5.193 2.154 1.00 0.00 O ATOM 634 CB ASP A 65 -12.631 -2.626 3.728 1.00 0.00 C ATOM 635 CG ASP A 65 -13.149 -3.540 4.841 1.00 0.00 C ATOM 636 OD1 ASP A 65 -12.634 -4.676 4.927 1.00 0.00 O ATOM 637 OD2 ASP A 65 -14.048 -3.083 5.578 1.00 0.00 O ATOM 0 H ASP A 65 -11.005 -1.087 2.655 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.726 -3.628 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.433 -1.641 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.418 -2.502 2.984 1.00 0.00 H new ATOM 641 N GLY A 66 -11.667 -3.570 0.674 1.00 0.00 N ATOM 642 CA GLY A 66 -12.031 -4.356 -0.491 1.00 0.00 C ATOM 643 C GLY A 66 -10.812 -5.076 -1.070 1.00 0.00 C ATOM 644 O GLY A 66 -10.909 -6.227 -1.494 1.00 0.00 O ATOM 0 H GLY A 66 -11.322 -2.633 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.793 -5.086 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.469 -3.707 -1.250 1.00 0.00 H new ATOM 648 N LEU A 67 -9.692 -4.369 -1.071 1.00 0.00 N ATOM 649 CA LEU A 67 -8.454 -4.925 -1.591 1.00 0.00 C ATOM 650 C LEU A 67 -7.316 -3.930 -1.361 1.00 0.00 C ATOM 651 O LEU A 67 -7.544 -2.722 -1.308 1.00 0.00 O ATOM 652 CB LEU A 67 -8.626 -5.336 -3.054 1.00 0.00 C ATOM 653 CG LEU A 67 -7.873 -4.489 -4.082 1.00 0.00 C ATOM 654 CD1 LEU A 67 -6.471 -5.048 -4.332 1.00 0.00 C ATOM 655 CD2 LEU A 67 -8.676 -4.355 -5.378 1.00 0.00 C ATOM 0 H LEU A 67 -9.616 -3.415 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.191 -5.838 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.304 -6.372 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.688 -5.306 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.752 -3.486 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.958 -4.428 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.907 -5.047 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.548 -6.068 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.118 -3.748 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.851 -5.344 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.632 -3.877 -5.166 1.00 0.00 H new ATOM 666 N MET A 68 -6.114 -4.473 -1.231 1.00 0.00 N ATOM 667 CA MET A 68 -4.940 -3.647 -1.008 1.00 0.00 C ATOM 668 C MET A 68 -4.409 -3.083 -2.327 1.00 0.00 C ATOM 669 O MET A 68 -4.401 -3.774 -3.345 1.00 0.00 O ATOM 670 CB MET A 68 -3.850 -4.483 -0.335 1.00 0.00 C ATOM 671 CG MET A 68 -2.782 -3.585 0.294 1.00 0.00 C ATOM 672 SD MET A 68 -1.477 -4.585 0.990 1.00 0.00 S ATOM 673 CE MET A 68 -0.314 -3.307 1.440 1.00 0.00 C ATOM 0 H MET A 68 -5.928 -5.475 -1.276 1.00 0.00 H new ATOM 0 HA MET A 68 -5.221 -2.813 -0.365 1.00 0.00 H new ATOM 0 HB2 MET A 68 -4.294 -5.118 0.432 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.389 -5.144 -1.068 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.373 -2.911 -0.458 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.229 -2.963 1.070 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.472 -3.733 2.063 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.128 -2.883 0.538 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.831 -2.523 1.994 1.00 0.00 H new ATOM 681 N ILE A 69 -3.978 -1.831 -2.267 1.00 0.00 N ATOM 682 CA ILE A 69 -3.447 -1.165 -3.444 1.00 0.00 C ATOM 683 C ILE A 69 -2.278 -0.266 -3.032 1.00 0.00 C ATOM 684 O ILE A 69 -2.244 0.238 -1.911 1.00 0.00 O ATOM 685 CB ILE A 69 -4.559 -0.425 -4.189 1.00 0.00 C ATOM 686 CG1 ILE A 69 -4.119 0.992 -4.563 1.00 0.00 C ATOM 687 CG2 ILE A 69 -5.857 -0.427 -3.380 1.00 0.00 C ATOM 688 CD1 ILE A 69 -4.079 1.897 -3.331 1.00 0.00 C ATOM 0 H ILE A 69 -3.986 -1.261 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.054 -1.896 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.759 -0.957 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.133 0.960 -5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.805 1.407 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.631 0.106 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.177 -1.455 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.690 0.067 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.763 2.898 -3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.072 1.946 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.373 1.493 -2.605 1.00 0.00 H new ATOM 699 N CYS A 70 -1.350 -0.094 -3.962 1.00 0.00 N ATOM 700 CA CYS A 70 -0.183 0.735 -3.709 1.00 0.00 C ATOM 701 C CYS A 70 0.097 1.564 -4.964 1.00 0.00 C ATOM 702 O CYS A 70 0.270 1.014 -6.051 1.00 0.00 O ATOM 703 CB CYS A 70 1.028 -0.104 -3.298 1.00 0.00 C ATOM 704 SG CYS A 70 0.589 -1.190 -1.891 1.00 0.00 S ATOM 0 H CYS A 70 -1.382 -0.514 -4.891 1.00 0.00 H new ATOM 0 HA CYS A 70 -0.382 1.402 -2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 70 1.367 -0.706 -4.141 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.855 0.549 -3.020 1.00 0.00 H new ATOM 0 HG CYS A 70 1.624 -1.900 -1.551 1.00 0.00 H new ATOM 709 N CYS A 71 0.132 2.875 -4.772 1.00 0.00 N ATOM 710 CA CYS A 71 0.389 3.786 -5.875 1.00 0.00 C ATOM 711 C CYS A 71 1.876 4.147 -5.864 1.00 0.00 C ATOM 712 O CYS A 71 2.464 4.337 -4.800 1.00 0.00 O ATOM 713 CB CYS A 71 -0.501 5.028 -5.800 1.00 0.00 C ATOM 714 SG CYS A 71 0.384 6.382 -4.946 1.00 0.00 S ATOM 0 H CYS A 71 -0.013 3.328 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 71 0.142 3.299 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.784 5.344 -6.804 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.423 4.793 -5.268 1.00 0.00 H new ATOM 0 HG CYS A 71 0.417 7.431 -5.714 1.00 0.00 H new ATOM 719 N LYS A 72 2.440 4.231 -7.060 1.00 0.00 N ATOM 720 CA LYS A 72 3.846 4.567 -7.201 1.00 0.00 C ATOM 721 C LYS A 72 4.000 6.087 -7.270 1.00 0.00 C ATOM 722 O LYS A 72 3.269 6.755 -8.000 1.00 0.00 O ATOM 723 CB LYS A 72 4.454 3.832 -8.399 1.00 0.00 C ATOM 724 CG LYS A 72 3.629 4.071 -9.665 1.00 0.00 C ATOM 725 CD LYS A 72 4.428 3.704 -10.917 1.00 0.00 C ATOM 726 CE LYS A 72 5.311 4.871 -11.364 1.00 0.00 C ATOM 727 NZ LYS A 72 4.521 5.852 -12.139 1.00 0.00 N ATOM 0 H LYS A 72 1.949 4.072 -7.940 1.00 0.00 H new ATOM 0 HA LYS A 72 4.407 4.230 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.477 4.172 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.502 2.764 -8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.715 3.478 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.328 5.117 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.048 2.831 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.745 3.431 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.751 5.356 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.136 4.499 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.136 6.637 -12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.122 5.389 -12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.749 6.221 -11.548 1.00 0.00 H new ATOM 737 N SER A 73 4.954 6.589 -6.500 1.00 0.00 N ATOM 738 CA SER A 73 5.212 8.018 -6.464 1.00 0.00 C ATOM 739 C SER A 73 6.717 8.281 -6.557 1.00 0.00 C ATOM 740 O SER A 73 7.491 7.763 -5.754 1.00 0.00 O ATOM 741 CB SER A 73 4.640 8.650 -5.193 1.00 0.00 C ATOM 742 OG SER A 73 4.988 7.909 -4.027 1.00 0.00 O ATOM 0 H SER A 73 5.558 6.031 -5.896 1.00 0.00 H new ATOM 0 HA SER A 73 4.716 8.476 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.009 9.671 -5.098 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.555 8.710 -5.274 1.00 0.00 H new ATOM 0 HG SER A 73 4.207 7.837 -3.440 1.00 0.00 H new ATOM 747 N ASN A 74 7.085 9.085 -7.543 1.00 0.00 N ATOM 748 CA ASN A 74 8.483 9.423 -7.751 1.00 0.00 C ATOM 749 C ASN A 74 8.630 10.944 -7.831 1.00 0.00 C ATOM 750 O ASN A 74 7.686 11.643 -8.198 1.00 0.00 O ATOM 751 CB ASN A 74 9.005 8.827 -9.060 1.00 0.00 C ATOM 752 CG ASN A 74 8.482 7.404 -9.262 1.00 0.00 C ATOM 753 OD1 ASN A 74 7.357 7.181 -9.681 1.00 0.00 O ATOM 754 ND2 ASN A 74 9.356 6.455 -8.942 1.00 0.00 N ATOM 0 H ASN A 74 6.439 9.513 -8.207 1.00 0.00 H new ATOM 0 HA ASN A 74 9.055 9.017 -6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.697 9.454 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.095 8.820 -9.051 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.101 5.472 -9.042 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.282 6.709 -8.597 1.00 0.00 H new ATOM 899 N ALA A 86 -3.549 12.466 -10.778 1.00 0.00 N ATOM 900 CA ALA A 86 -3.132 11.144 -10.343 1.00 0.00 C ATOM 901 C ALA A 86 -1.725 10.858 -10.871 1.00 0.00 C ATOM 902 O ALA A 86 -1.444 9.753 -11.331 1.00 0.00 O ATOM 903 CB ALA A 86 -4.154 10.106 -10.812 1.00 0.00 C ATOM 0 HA ALA A 86 -3.092 11.093 -9.255 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.841 9.114 -10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.130 10.337 -10.385 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.220 10.126 -11.900 1.00 0.00 H new ATOM 909 N GLU A 87 -0.878 11.874 -10.787 1.00 0.00 N ATOM 910 CA GLU A 87 0.492 11.744 -11.251 1.00 0.00 C ATOM 911 C GLU A 87 0.998 10.318 -11.023 1.00 0.00 C ATOM 912 O GLU A 87 1.525 9.689 -11.941 1.00 0.00 O ATOM 913 CB GLU A 87 1.402 12.765 -10.563 1.00 0.00 C ATOM 914 CG GLU A 87 0.883 14.189 -10.769 1.00 0.00 C ATOM 915 CD GLU A 87 2.011 15.211 -10.616 1.00 0.00 C ATOM 916 OE1 GLU A 87 3.127 14.898 -11.084 1.00 0.00 O ATOM 917 OE2 GLU A 87 1.731 16.283 -10.036 1.00 0.00 O ATOM 0 H GLU A 87 -1.114 12.790 -10.405 1.00 0.00 H new ATOM 0 HA GLU A 87 0.513 11.949 -12.321 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.459 12.546 -9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.414 12.682 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.439 14.278 -11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.095 14.401 -10.046 1.00 0.00 H new ATOM 922 N TYR A 88 0.820 9.850 -9.797 1.00 0.00 N ATOM 923 CA TYR A 88 1.252 8.510 -9.438 1.00 0.00 C ATOM 924 C TYR A 88 0.477 7.454 -10.229 1.00 0.00 C ATOM 925 O TYR A 88 -0.205 7.778 -11.200 1.00 0.00 O ATOM 926 CB TYR A 88 0.936 8.350 -7.950 1.00 0.00 C ATOM 927 CG TYR A 88 1.693 9.325 -7.045 1.00 0.00 C ATOM 928 CD1 TYR A 88 2.765 10.037 -7.541 1.00 0.00 C ATOM 929 CD2 TYR A 88 1.301 9.492 -5.731 1.00 0.00 C ATOM 930 CE1 TYR A 88 3.476 10.955 -6.690 1.00 0.00 C ATOM 931 CE2 TYR A 88 2.012 10.410 -4.880 1.00 0.00 C ATOM 932 CZ TYR A 88 3.065 11.096 -5.401 1.00 0.00 C ATOM 933 OH TYR A 88 3.737 11.962 -4.596 1.00 0.00 O ATOM 0 H TYR A 88 0.383 10.375 -9.039 1.00 0.00 H new ATOM 0 HA TYR A 88 2.311 8.376 -9.657 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.135 8.487 -7.800 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.172 7.330 -7.646 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.071 9.906 -8.568 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.462 8.934 -5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.317 11.519 -7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.716 10.551 -3.851 1.00 0.00 H new ATOM 0 HH TYR A 88 3.332 11.960 -3.704 1.00 0.00 H new ATOM 942 N ARG A 89 0.607 6.214 -9.782 1.00 0.00 N ATOM 943 CA ARG A 89 -0.073 5.108 -10.436 1.00 0.00 C ATOM 944 C ARG A 89 -0.462 4.043 -9.409 1.00 0.00 C ATOM 945 O ARG A 89 0.391 3.300 -8.925 1.00 0.00 O ATOM 946 CB ARG A 89 0.813 4.473 -11.508 1.00 0.00 C ATOM 947 CG ARG A 89 0.721 5.247 -12.826 1.00 0.00 C ATOM 948 CD ARG A 89 0.520 4.296 -14.007 1.00 0.00 C ATOM 949 NE ARG A 89 1.737 3.481 -14.215 1.00 0.00 N ATOM 950 CZ ARG A 89 2.052 2.882 -15.372 1.00 0.00 C ATOM 951 NH1 ARG A 89 1.241 3.004 -16.431 1.00 0.00 N ATOM 952 NH2 ARG A 89 3.178 2.162 -15.469 1.00 0.00 N ATOM 0 H ARG A 89 1.173 5.950 -8.975 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.970 5.505 -10.911 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.847 4.454 -11.165 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.511 3.438 -11.668 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.107 5.955 -12.779 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.630 5.829 -12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.335 3.646 -13.820 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.296 4.866 -14.909 1.00 0.00 H new ATOM 0 HE ARG A 89 2.377 3.368 -13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.384 3.553 -16.357 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.480 2.548 -17.312 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.795 2.070 -14.662 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.418 1.706 -16.349 1.00 0.00 H new ATOM 963 N LEU A 90 -1.752 4.001 -9.107 1.00 0.00 N ATOM 964 CA LEU A 90 -2.264 3.038 -8.146 1.00 0.00 C ATOM 965 C LEU A 90 -2.052 1.622 -8.686 1.00 0.00 C ATOM 966 O LEU A 90 -2.115 1.400 -9.894 1.00 0.00 O ATOM 967 CB LEU A 90 -3.721 3.353 -7.798 1.00 0.00 C ATOM 968 CG LEU A 90 -4.777 2.728 -8.713 1.00 0.00 C ATOM 969 CD1 LEU A 90 -4.468 3.012 -10.183 1.00 0.00 C ATOM 970 CD2 LEU A 90 -4.925 1.230 -8.436 1.00 0.00 C ATOM 0 H LEU A 90 -2.457 4.618 -9.510 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.714 3.106 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.910 3.021 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.852 4.435 -7.811 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.738 3.193 -8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.234 2.556 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.455 4.089 -10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.494 2.593 -10.438 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.681 0.810 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.972 0.732 -8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.228 1.080 -7.400 1.00 0.00 H new ATOM 981 N LYS A 91 -1.805 0.703 -7.764 1.00 0.00 N ATOM 982 CA LYS A 91 -1.584 -0.685 -8.133 1.00 0.00 C ATOM 983 C LYS A 91 -2.606 -1.568 -7.416 1.00 0.00 C ATOM 984 O LYS A 91 -2.981 -1.291 -6.278 1.00 0.00 O ATOM 985 CB LYS A 91 -0.131 -1.085 -7.866 1.00 0.00 C ATOM 986 CG LYS A 91 0.384 -2.037 -8.947 1.00 0.00 C ATOM 987 CD LYS A 91 0.754 -1.272 -10.220 1.00 0.00 C ATOM 988 CE LYS A 91 0.041 -1.860 -11.439 1.00 0.00 C ATOM 989 NZ LYS A 91 -0.028 -0.862 -12.531 1.00 0.00 N ATOM 0 H LYS A 91 -1.753 0.892 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.738 -0.824 -9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.495 -0.193 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.055 -1.563 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.256 -2.577 -8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.379 -2.782 -9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.485 -0.222 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.833 -1.311 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.570 -2.749 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.965 -2.175 -11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.515 -1.277 -13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.552 -0.025 -12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.935 -0.581 -12.806 1.00 0.00 H new ATOM 999 N GLU A 92 -3.028 -2.614 -8.111 1.00 0.00 N ATOM 1000 CA GLU A 92 -4.000 -3.540 -7.554 1.00 0.00 C ATOM 1001 C GLU A 92 -3.290 -4.659 -6.789 1.00 0.00 C ATOM 1002 O GLU A 92 -2.600 -5.484 -7.387 1.00 0.00 O ATOM 1003 CB GLU A 92 -4.902 -4.112 -8.649 1.00 0.00 C ATOM 1004 CG GLU A 92 -4.157 -5.157 -9.483 1.00 0.00 C ATOM 1005 CD GLU A 92 -4.711 -5.216 -10.909 1.00 0.00 C ATOM 1006 OE1 GLU A 92 -5.216 -4.168 -11.366 1.00 0.00 O ATOM 1007 OE2 GLU A 92 -4.617 -6.308 -11.509 1.00 0.00 O ATOM 0 H GLU A 92 -2.715 -2.841 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.634 -2.994 -6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.786 -4.564 -8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.251 -3.307 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.095 -4.915 -9.511 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.249 -6.136 -9.012 1.00 0.00 H new ATOM 1012 N LYS A 93 -3.483 -4.650 -5.478 1.00 0.00 N ATOM 1013 CA LYS A 93 -2.870 -5.655 -4.626 1.00 0.00 C ATOM 1014 C LYS A 93 -3.962 -6.404 -3.861 1.00 0.00 C ATOM 1015 O LYS A 93 -4.146 -6.188 -2.664 1.00 0.00 O ATOM 1016 CB LYS A 93 -1.813 -5.016 -3.722 1.00 0.00 C ATOM 1017 CG LYS A 93 -0.613 -4.533 -4.538 1.00 0.00 C ATOM 1018 CD LYS A 93 0.235 -3.545 -3.734 1.00 0.00 C ATOM 1019 CE LYS A 93 1.724 -3.870 -3.861 1.00 0.00 C ATOM 1020 NZ LYS A 93 2.300 -3.204 -5.051 1.00 0.00 N ATOM 0 H LYS A 93 -4.055 -3.964 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.339 -6.393 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.251 -4.177 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.483 -5.739 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.002 -5.386 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.960 -4.057 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.049 -2.530 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.060 -3.577 -2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.251 -3.545 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.862 -4.949 -3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.040 -3.808 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.552 -3.044 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.714 -2.292 -4.772 1.00 0.00 H new ATOM 1030 N PHE A 94 -4.659 -7.269 -4.583 1.00 0.00 N ATOM 1031 CA PHE A 94 -5.728 -8.052 -3.988 1.00 0.00 C ATOM 1032 C PHE A 94 -5.178 -9.029 -2.946 1.00 0.00 C ATOM 1033 O PHE A 94 -5.078 -10.227 -3.205 1.00 0.00 O ATOM 1034 CB PHE A 94 -6.384 -8.847 -5.118 1.00 0.00 C ATOM 1035 CG PHE A 94 -7.315 -8.017 -6.005 1.00 0.00 C ATOM 1036 CD1 PHE A 94 -6.801 -7.264 -7.014 1.00 0.00 C ATOM 1037 CD2 PHE A 94 -8.656 -8.031 -5.782 1.00 0.00 C ATOM 1038 CE1 PHE A 94 -7.664 -6.494 -7.836 1.00 0.00 C ATOM 1039 CE2 PHE A 94 -9.520 -7.259 -6.604 1.00 0.00 C ATOM 1040 CZ PHE A 94 -9.006 -6.507 -7.614 1.00 0.00 C ATOM 0 H PHE A 94 -4.504 -7.445 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.438 -7.392 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.604 -9.287 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.951 -9.672 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.735 -7.252 -7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.064 -8.629 -4.980 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.255 -5.897 -8.638 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.585 -7.269 -6.427 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.663 -5.921 -8.239 1.00 0.00 H new ATOM 1049 N PHE A 95 -4.836 -8.480 -1.789 1.00 0.00 N ATOM 1050 CA PHE A 95 -4.299 -9.288 -0.708 1.00 0.00 C ATOM 1051 C PHE A 95 -4.952 -8.921 0.626 1.00 0.00 C ATOM 1052 O PHE A 95 -4.611 -9.486 1.665 1.00 0.00 O ATOM 1053 CB PHE A 95 -2.801 -8.988 -0.627 1.00 0.00 C ATOM 1054 CG PHE A 95 -2.105 -8.923 -1.989 1.00 0.00 C ATOM 1055 CD1 PHE A 95 -2.343 -9.884 -2.921 1.00 0.00 C ATOM 1056 CD2 PHE A 95 -1.249 -7.903 -2.267 1.00 0.00 C ATOM 1057 CE1 PHE A 95 -1.698 -9.823 -4.185 1.00 0.00 C ATOM 1058 CE2 PHE A 95 -0.604 -7.843 -3.531 1.00 0.00 C ATOM 1059 CZ PHE A 95 -0.842 -8.804 -4.463 1.00 0.00 C ATOM 0 H PHE A 95 -4.921 -7.486 -1.577 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.493 -10.343 -0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.658 -8.038 -0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.319 -9.755 -0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.023 -10.694 -2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.060 -7.139 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.888 -10.586 -4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.076 -7.034 -3.752 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.351 -8.758 -5.424 1.00 0.00 H new ATOM 1068 N MET A 96 -5.880 -7.978 0.556 1.00 0.00 N ATOM 1069 CA MET A 96 -6.584 -7.530 1.744 1.00 0.00 C ATOM 1070 C MET A 96 -7.269 -8.702 2.451 1.00 0.00 C ATOM 1071 O MET A 96 -7.697 -8.576 3.597 1.00 0.00 O ATOM 1072 CB MET A 96 -7.631 -6.485 1.355 1.00 0.00 C ATOM 1073 CG MET A 96 -8.925 -7.154 0.886 1.00 0.00 C ATOM 1074 SD MET A 96 -8.573 -8.309 -0.429 1.00 0.00 S ATOM 1075 CE MET A 96 -10.161 -9.109 -0.574 1.00 0.00 C ATOM 0 H MET A 96 -6.161 -7.512 -0.307 1.00 0.00 H new ATOM 0 HA MET A 96 -5.858 -7.091 2.429 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.840 -5.839 2.208 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.238 -5.849 0.562 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.399 -7.673 1.719 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.630 -6.398 0.539 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.102 -9.902 -1.320 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.442 -9.537 0.388 1.00 0.00 H new ATOM 0 HE3 MET A 96 -10.910 -8.378 -0.879 1.00 0.00 H new ATOM 1083 N ARG A 97 -7.351 -9.815 1.736 1.00 0.00 N ATOM 1084 CA ARG A 97 -7.978 -11.008 2.280 1.00 0.00 C ATOM 1085 C ARG A 97 -6.914 -11.962 2.829 1.00 0.00 C ATOM 1086 O ARG A 97 -7.243 -12.960 3.468 1.00 0.00 O ATOM 1087 CB ARG A 97 -8.801 -11.733 1.213 1.00 0.00 C ATOM 1088 CG ARG A 97 -10.147 -12.192 1.777 1.00 0.00 C ATOM 1089 CD ARG A 97 -11.212 -12.247 0.680 1.00 0.00 C ATOM 1090 NE ARG A 97 -11.670 -13.641 0.490 1.00 0.00 N ATOM 1091 CZ ARG A 97 -12.556 -14.020 -0.442 1.00 0.00 C ATOM 1092 NH1 ARG A 97 -13.083 -13.112 -1.273 1.00 0.00 N ATOM 1093 NH2 ARG A 97 -12.915 -15.307 -0.541 1.00 0.00 N ATOM 0 H ARG A 97 -6.994 -9.916 0.786 1.00 0.00 H new ATOM 0 HA ARG A 97 -8.643 -10.696 3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.966 -11.071 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.245 -12.594 0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.038 -13.176 2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.467 -11.510 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -12.056 -11.612 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.805 -11.859 -0.254 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.288 -14.358 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.810 -12.132 -1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.757 -13.400 -1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.514 -15.998 0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.589 -15.595 -1.250 1.00 0.00 H new ATOM 1104 N LYS A 98 -5.663 -11.621 2.560 1.00 0.00 N ATOM 1105 CA LYS A 98 -4.550 -12.434 3.019 1.00 0.00 C ATOM 1106 C LYS A 98 -3.235 -11.728 2.683 1.00 0.00 C ATOM 1107 O LYS A 98 -3.022 -11.313 1.545 1.00 0.00 O ATOM 1108 CB LYS A 98 -4.651 -13.850 2.450 1.00 0.00 C ATOM 1109 CG LYS A 98 -3.509 -14.730 2.964 1.00 0.00 C ATOM 1110 CD LYS A 98 -3.968 -16.180 3.131 1.00 0.00 C ATOM 1111 CE LYS A 98 -3.149 -16.892 4.210 1.00 0.00 C ATOM 1112 NZ LYS A 98 -2.793 -18.260 3.772 1.00 0.00 N ATOM 0 H LYS A 98 -5.395 -10.792 2.030 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.583 -12.548 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.608 -14.290 2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.623 -13.811 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.671 -14.688 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.150 -14.346 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.025 -16.203 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.866 -16.709 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.243 -16.324 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.720 -16.938 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.238 -18.729 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.661 -18.804 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.230 -18.210 2.899 1.00 0.00 H new ATOM 1122 N VAL A 99 -2.387 -11.613 3.694 1.00 0.00 N ATOM 1123 CA VAL A 99 -1.098 -10.963 3.520 1.00 0.00 C ATOM 1124 C VAL A 99 -0.077 -11.605 4.461 1.00 0.00 C ATOM 1125 O VAL A 99 -0.403 -12.540 5.192 1.00 0.00 O ATOM 1126 CB VAL A 99 -1.239 -9.455 3.729 1.00 0.00 C ATOM 1127 CG1 VAL A 99 -2.427 -8.900 2.941 1.00 0.00 C ATOM 1128 CG2 VAL A 99 -1.362 -9.117 5.217 1.00 0.00 C ATOM 0 H VAL A 99 -2.567 -11.959 4.637 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.734 -11.103 2.502 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.335 -8.979 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.504 -7.826 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.281 -9.093 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.344 -9.386 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.461 -8.038 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.241 -9.611 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.471 -9.461 5.743 1.00 0.00 H new ATOM 1138 N GLN A 100 1.138 -11.079 4.413 1.00 0.00 N ATOM 1139 CA GLN A 100 2.208 -11.589 5.252 1.00 0.00 C ATOM 1140 C GLN A 100 3.374 -10.598 5.286 1.00 0.00 C ATOM 1141 O GLN A 100 4.361 -10.772 4.572 1.00 0.00 O ATOM 1142 CB GLN A 100 2.672 -12.966 4.773 1.00 0.00 C ATOM 1143 CG GLN A 100 2.432 -14.029 5.847 1.00 0.00 C ATOM 1144 CD GLN A 100 2.065 -15.373 5.215 1.00 0.00 C ATOM 1145 OE1 GLN A 100 2.324 -15.633 4.052 1.00 0.00 O ATOM 1146 NE2 GLN A 100 1.449 -16.211 6.044 1.00 0.00 N ATOM 0 H GLN A 100 1.405 -10.304 3.806 1.00 0.00 H new ATOM 0 HA GLN A 100 1.825 -11.704 6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.138 -13.237 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.732 -12.930 4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.328 -14.143 6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.631 -13.705 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.262 -15.931 7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.164 -17.134 5.717 1.00 0.00 H new ATOM 1153 N ILE A 101 3.222 -9.582 6.122 1.00 0.00 N ATOM 1154 CA ILE A 101 4.249 -8.564 6.257 1.00 0.00 C ATOM 1155 C ILE A 101 5.410 -9.124 7.082 1.00 0.00 C ATOM 1156 O ILE A 101 5.193 -9.798 8.088 1.00 0.00 O ATOM 1157 CB ILE A 101 3.655 -7.275 6.828 1.00 0.00 C ATOM 1158 CG1 ILE A 101 4.758 -6.304 7.254 1.00 0.00 C ATOM 1159 CG2 ILE A 101 2.685 -7.578 7.972 1.00 0.00 C ATOM 1160 CD1 ILE A 101 4.655 -4.985 6.485 1.00 0.00 C ATOM 0 H ILE A 101 2.403 -9.442 6.713 1.00 0.00 H new ATOM 0 HA ILE A 101 4.651 -8.296 5.280 1.00 0.00 H new ATOM 0 HB ILE A 101 3.082 -6.785 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.685 -6.112 8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.734 -6.757 7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.277 -6.645 8.360 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.872 -8.204 7.604 1.00 0.00 H new ATOM 0 HG23 ILE A 101 3.214 -8.102 8.768 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.451 -4.313 6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.753 -5.178 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.688 -4.523 6.683 1.00 0.00 H new ATOM 1171 N ASN A 102 6.618 -8.824 6.626 1.00 0.00 N ATOM 1172 CA ASN A 102 7.812 -9.289 7.309 1.00 0.00 C ATOM 1173 C ASN A 102 8.809 -8.134 7.427 1.00 0.00 C ATOM 1174 O ASN A 102 9.760 -8.049 6.651 1.00 0.00 O ATOM 1175 CB ASN A 102 8.488 -10.420 6.530 1.00 0.00 C ATOM 1176 CG ASN A 102 9.263 -11.345 7.469 1.00 0.00 C ATOM 1177 OD1 ASN A 102 10.473 -11.268 7.600 1.00 0.00 O ATOM 1178 ND2 ASN A 102 8.500 -12.224 8.113 1.00 0.00 N ATOM 0 H ASN A 102 6.795 -8.264 5.792 1.00 0.00 H new ATOM 0 HA ASN A 102 7.517 -9.655 8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 102 7.736 -10.993 5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.165 -10.000 5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 102 8.923 -12.887 8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.492 -12.235 7.957 1.00 0.00 H new ATOM 1184 N ASP A 103 8.558 -7.275 8.403 1.00 0.00 N ATOM 1185 CA ASP A 103 9.421 -6.129 8.632 1.00 0.00 C ATOM 1186 C ASP A 103 10.829 -6.617 8.979 1.00 0.00 C ATOM 1187 O ASP A 103 11.187 -6.712 10.152 1.00 0.00 O ATOM 1188 CB ASP A 103 8.914 -5.282 9.802 1.00 0.00 C ATOM 1189 CG ASP A 103 10.006 -4.582 10.614 1.00 0.00 C ATOM 1190 OD1 ASP A 103 10.745 -3.781 10.002 1.00 0.00 O ATOM 1191 OD2 ASP A 103 10.077 -4.865 11.830 1.00 0.00 O ATOM 0 H ASP A 103 7.769 -7.349 9.045 1.00 0.00 H new ATOM 0 HA ASP A 103 9.426 -5.525 7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.230 -4.527 9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.338 -5.921 10.471 1.00 0.00 H new ATOM 1195 N LYS A 104 11.591 -6.915 7.936 1.00 0.00 N ATOM 1196 CA LYS A 104 12.952 -7.391 8.115 1.00 0.00 C ATOM 1197 C LYS A 104 13.917 -6.208 8.034 1.00 0.00 C ATOM 1198 O LYS A 104 14.455 -5.913 6.968 1.00 0.00 O ATOM 1199 CB LYS A 104 13.264 -8.509 7.116 1.00 0.00 C ATOM 1200 CG LYS A 104 14.389 -9.407 7.633 1.00 0.00 C ATOM 1201 CD LYS A 104 13.830 -10.700 8.230 1.00 0.00 C ATOM 1202 CE LYS A 104 13.982 -11.866 7.251 1.00 0.00 C ATOM 1203 NZ LYS A 104 14.043 -13.152 7.982 1.00 0.00 N ATOM 0 H LYS A 104 11.291 -6.836 6.964 1.00 0.00 H new ATOM 0 HA LYS A 104 13.073 -7.834 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.369 -9.106 6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.551 -8.076 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.073 -9.645 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.966 -8.874 8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.351 -10.931 9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.778 -10.565 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.143 -11.876 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.887 -11.735 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.146 -13.933 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.858 -13.146 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.168 -13.282 8.529 1.00 0.00 H new ATOM 1213 N ASP A 105 14.108 -5.562 9.175 1.00 0.00 N ATOM 1214 CA ASP A 105 14.999 -4.417 9.247 1.00 0.00 C ATOM 1215 C ASP A 105 15.642 -4.362 10.634 1.00 0.00 C ATOM 1216 O ASP A 105 15.179 -5.022 11.564 1.00 0.00 O ATOM 1217 CB ASP A 105 14.234 -3.109 9.029 1.00 0.00 C ATOM 1218 CG ASP A 105 15.077 -1.948 8.496 1.00 0.00 C ATOM 1219 OD1 ASP A 105 16.155 -2.240 7.936 1.00 0.00 O ATOM 1220 OD2 ASP A 105 14.623 -0.795 8.662 1.00 0.00 O ATOM 0 H ASP A 105 13.661 -5.810 10.057 1.00 0.00 H new ATOM 0 HA ASP A 105 15.754 -4.528 8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.417 -3.295 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.783 -2.807 9.975 1.00 0.00 H new ATOM 1224 N ASP A 106 16.701 -3.572 10.730 1.00 0.00 N ATOM 1225 CA ASP A 106 17.413 -3.423 11.988 1.00 0.00 C ATOM 1226 C ASP A 106 17.850 -1.966 12.153 1.00 0.00 C ATOM 1227 O ASP A 106 18.702 -1.661 12.985 1.00 0.00 O ATOM 1228 CB ASP A 106 18.667 -4.300 12.018 1.00 0.00 C ATOM 1229 CG ASP A 106 18.671 -5.385 13.096 1.00 0.00 C ATOM 1230 OD1 ASP A 106 17.676 -6.139 13.146 1.00 0.00 O ATOM 1231 OD2 ASP A 106 19.671 -5.436 13.846 1.00 0.00 O ATOM 0 H ASP A 106 17.084 -3.028 9.957 1.00 0.00 H new ATOM 0 HA ASP A 106 16.743 -3.725 12.793 1.00 0.00 H new ATOM 0 HB2 ASP A 106 18.783 -4.776 11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 106 19.537 -3.660 12.165 1.00 0.00 H new ATOM 1235 N THR A 107 17.247 -1.106 11.345 1.00 0.00 N ATOM 1236 CA THR A 107 17.564 0.311 11.391 1.00 0.00 C ATOM 1237 C THR A 107 18.899 0.537 12.103 1.00 0.00 C ATOM 1238 O THR A 107 19.905 0.836 11.461 1.00 0.00 O ATOM 1239 CB THR A 107 16.391 1.037 12.055 1.00 0.00 C ATOM 1240 OG1 THR A 107 15.994 0.162 13.109 1.00 0.00 O ATOM 1241 CG2 THR A 107 15.160 1.110 11.150 1.00 0.00 C ATOM 0 H THR A 107 16.541 -1.363 10.655 1.00 0.00 H new ATOM 0 HA THR A 107 17.693 0.719 10.389 1.00 0.00 H new ATOM 0 HB THR A 107 16.698 2.045 12.333 1.00 0.00 H new ATOM 0 HG1 THR A 107 15.239 0.556 13.594 1.00 0.00 H new ATOM 0 HG21 THR A 107 14.358 1.634 11.669 1.00 0.00 H new ATOM 0 HG22 THR A 107 15.412 1.647 10.235 1.00 0.00 H new ATOM 0 HG23 THR A 107 14.832 0.101 10.900 1.00 0.00 H new ATOM 1249 N ASN A 108 18.865 0.383 13.419 1.00 0.00 N ATOM 1250 CA ASN A 108 20.061 0.566 14.223 1.00 0.00 C ATOM 1251 C ASN A 108 21.285 0.122 13.420 1.00 0.00 C ATOM 1252 O ASN A 108 22.377 0.661 13.598 1.00 0.00 O ATOM 1253 CB ASN A 108 20.001 -0.278 15.498 1.00 0.00 C ATOM 1254 CG ASN A 108 19.237 0.451 16.604 1.00 0.00 C ATOM 1255 OD1 ASN A 108 18.206 1.065 16.381 1.00 0.00 O ATOM 1256 ND2 ASN A 108 19.796 0.350 17.806 1.00 0.00 N ATOM 0 H ASN A 108 18.029 0.134 13.948 1.00 0.00 H new ATOM 0 HA ASN A 108 20.129 1.621 14.490 1.00 0.00 H new ATOM 0 HB2 ASN A 108 19.517 -1.231 15.285 1.00 0.00 H new ATOM 0 HB3 ASN A 108 21.012 -0.503 15.837 1.00 0.00 H new ATOM 0 HD21 ASN A 108 19.361 0.802 18.610 1.00 0.00 H new ATOM 0 HD22 ASN A 108 20.660 -0.179 17.924 1.00 0.00 H new ATOM 1262 N GLU A 109 21.062 -0.854 12.553 1.00 0.00 N ATOM 1263 CA GLU A 109 22.134 -1.376 11.721 1.00 0.00 C ATOM 1264 C GLU A 109 21.865 -1.060 10.249 1.00 0.00 C ATOM 1265 O GLU A 109 22.797 -0.936 9.456 1.00 0.00 O ATOM 1266 CB GLU A 109 22.312 -2.880 11.936 1.00 0.00 C ATOM 1267 CG GLU A 109 23.508 -3.410 11.143 1.00 0.00 C ATOM 1268 CD GLU A 109 24.441 -4.229 12.038 1.00 0.00 C ATOM 1269 OE1 GLU A 109 24.829 -3.689 13.096 1.00 0.00 O ATOM 1270 OE2 GLU A 109 24.744 -5.375 11.643 1.00 0.00 O ATOM 0 H GLU A 109 20.155 -1.298 12.408 1.00 0.00 H new ATOM 0 HA GLU A 109 23.064 -0.888 12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 109 22.455 -3.085 12.997 1.00 0.00 H new ATOM 0 HB3 GLU A 109 21.407 -3.404 11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 109 23.156 -4.028 10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 109 24.057 -2.576 10.706 1.00 0.00 H new ATOM 1275 N TYR A 110 20.585 -0.938 9.927 1.00 0.00 N ATOM 1276 CA TYR A 110 20.181 -0.639 8.564 1.00 0.00 C ATOM 1277 C TYR A 110 19.622 0.781 8.457 1.00 0.00 C ATOM 1278 O TYR A 110 19.765 1.580 9.382 1.00 0.00 O ATOM 1279 CB TYR A 110 19.073 -1.638 8.224 1.00 0.00 C ATOM 1280 CG TYR A 110 19.537 -3.095 8.193 1.00 0.00 C ATOM 1281 CD1 TYR A 110 19.974 -3.705 9.351 1.00 0.00 C ATOM 1282 CD2 TYR A 110 19.518 -3.801 7.007 1.00 0.00 C ATOM 1283 CE1 TYR A 110 20.410 -5.077 9.321 1.00 0.00 C ATOM 1284 CE2 TYR A 110 19.954 -5.172 6.977 1.00 0.00 C ATOM 1285 CZ TYR A 110 20.379 -5.743 8.136 1.00 0.00 C ATOM 1286 OH TYR A 110 20.791 -7.039 8.108 1.00 0.00 O ATOM 0 H TYR A 110 19.814 -1.041 10.587 1.00 0.00 H new ATOM 0 HA TYR A 110 21.032 -0.712 7.887 1.00 0.00 H new ATOM 0 HB2 TYR A 110 18.271 -1.538 8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 110 18.652 -1.381 7.252 1.00 0.00 H new ATOM 0 HD1 TYR A 110 19.989 -3.154 10.280 1.00 0.00 H new ATOM 0 HD2 TYR A 110 19.176 -3.324 6.101 1.00 0.00 H new ATOM 0 HE1 TYR A 110 20.754 -5.566 10.220 1.00 0.00 H new ATOM 0 HE2 TYR A 110 19.944 -5.735 6.055 1.00 0.00 H new ATOM 0 HH TYR A 110 20.713 -7.387 7.195 1.00 0.00 H new ATOM 1295 N LYS A 111 18.996 1.052 7.321 1.00 0.00 N ATOM 1296 CA LYS A 111 18.416 2.362 7.081 1.00 0.00 C ATOM 1297 C LYS A 111 17.033 2.429 7.733 1.00 0.00 C ATOM 1298 O LYS A 111 16.911 2.803 8.898 1.00 0.00 O ATOM 1299 CB LYS A 111 18.405 2.678 5.583 1.00 0.00 C ATOM 1300 CG LYS A 111 17.524 3.892 5.285 1.00 0.00 C ATOM 1301 CD LYS A 111 17.993 5.117 6.071 1.00 0.00 C ATOM 1302 CE LYS A 111 16.865 5.678 6.939 1.00 0.00 C ATOM 1303 NZ LYS A 111 17.081 7.118 7.204 1.00 0.00 N ATOM 0 H LYS A 111 18.878 0.387 6.557 1.00 0.00 H new ATOM 0 HA LYS A 111 19.026 3.139 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 111 19.422 2.870 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 111 18.039 1.814 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 111 17.548 4.110 4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.489 3.666 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 111 18.841 4.847 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 111 18.341 5.885 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.907 5.534 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.818 5.132 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.306 7.482 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 17.985 7.248 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.103 7.637 6.303 1.00 0.00 H new ATOM 1313 N HIS A 112 16.027 2.062 6.952 1.00 0.00 N ATOM 1314 CA HIS A 112 14.659 2.076 7.439 1.00 0.00 C ATOM 1315 C HIS A 112 13.727 1.501 6.370 1.00 0.00 C ATOM 1316 O HIS A 112 13.024 2.246 5.689 1.00 0.00 O ATOM 1317 CB HIS A 112 14.254 3.483 7.884 1.00 0.00 C ATOM 1318 CG HIS A 112 13.894 3.586 9.347 1.00 0.00 C ATOM 1319 ND1 HIS A 112 12.909 2.977 10.068 1.00 0.00 N flip ATOM 1320 CD2 HIS A 112 14.585 4.392 10.234 1.00 0.00 C flip ATOM 1321 CE1 HIS A 112 12.995 3.388 11.326 1.00 0.00 C flip ATOM 1322 NE2 HIS A 112 14.034 4.266 11.431 1.00 0.00 N flip ATOM 0 H HIS A 112 16.133 1.753 5.986 1.00 0.00 H new ATOM 0 HA HIS A 112 14.578 1.442 8.322 1.00 0.00 H new ATOM 0 HB2 HIS A 112 15.074 4.169 7.673 1.00 0.00 H new ATOM 0 HB3 HIS A 112 13.403 3.811 7.287 1.00 0.00 H new ATOM 0 HD1 HIS A 112 12.223 2.317 9.702 1.00 0.00 H new ATOM 0 HD2 HIS A 112 15.431 5.018 9.991 1.00 0.00 H new ATOM 0 HE1 HIS A 112 12.349 3.079 12.134 1.00 0.00 H new ATOM 1329 N ALA A 113 13.752 0.181 6.257 1.00 0.00 N ATOM 1330 CA ALA A 113 12.919 -0.502 5.282 1.00 0.00 C ATOM 1331 C ALA A 113 12.851 -1.990 5.630 1.00 0.00 C ATOM 1332 O ALA A 113 13.722 -2.510 6.326 1.00 0.00 O ATOM 1333 CB ALA A 113 13.472 -0.256 3.877 1.00 0.00 C ATOM 0 H ALA A 113 14.336 -0.433 6.824 1.00 0.00 H new ATOM 0 HA ALA A 113 11.902 -0.111 5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.847 -0.768 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.472 0.814 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 113 14.491 -0.638 3.815 1.00 0.00 H new ATOM 1339 N PHE A 114 11.806 -2.634 5.132 1.00 0.00 N ATOM 1340 CA PHE A 114 11.612 -4.052 5.381 1.00 0.00 C ATOM 1341 C PHE A 114 11.047 -4.755 4.145 1.00 0.00 C ATOM 1342 O PHE A 114 10.762 -4.110 3.137 1.00 0.00 O ATOM 1343 CB PHE A 114 10.604 -4.172 6.525 1.00 0.00 C ATOM 1344 CG PHE A 114 9.353 -3.308 6.346 1.00 0.00 C ATOM 1345 CD1 PHE A 114 9.387 -1.988 6.674 1.00 0.00 C ATOM 1346 CD2 PHE A 114 8.210 -3.859 5.860 1.00 0.00 C ATOM 1347 CE1 PHE A 114 8.227 -1.186 6.507 1.00 0.00 C ATOM 1348 CE2 PHE A 114 7.049 -3.057 5.693 1.00 0.00 C ATOM 1349 CZ PHE A 114 7.083 -1.737 6.021 1.00 0.00 C ATOM 0 H PHE A 114 11.084 -2.200 4.557 1.00 0.00 H new ATOM 0 HA PHE A 114 12.566 -4.519 5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 114 10.302 -5.215 6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 114 11.094 -3.894 7.458 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.295 -1.551 7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 114 8.184 -4.907 5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 114 8.254 -0.138 6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 114 6.141 -3.495 5.306 1.00 0.00 H new ATOM 0 HZ PHE A 114 6.201 -1.127 5.895 1.00 0.00 H new ATOM 1358 N GLU A 115 10.904 -6.067 4.263 1.00 0.00 N ATOM 1359 CA GLU A 115 10.380 -6.864 3.166 1.00 0.00 C ATOM 1360 C GLU A 115 8.970 -7.360 3.498 1.00 0.00 C ATOM 1361 O GLU A 115 8.748 -7.950 4.554 1.00 0.00 O ATOM 1362 CB GLU A 115 11.310 -8.034 2.845 1.00 0.00 C ATOM 1363 CG GLU A 115 11.264 -9.092 3.949 1.00 0.00 C ATOM 1364 CD GLU A 115 10.488 -10.329 3.491 1.00 0.00 C ATOM 1365 OE1 GLU A 115 9.671 -10.174 2.558 1.00 0.00 O ATOM 1366 OE2 GLU A 115 10.731 -11.402 4.084 1.00 0.00 O ATOM 0 H GLU A 115 11.142 -6.598 5.101 1.00 0.00 H new ATOM 0 HA GLU A 115 10.324 -6.233 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.021 -8.483 1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.331 -7.670 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.279 -9.377 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.795 -8.673 4.840 1.00 0.00 H new ATOM 1371 N ILE A 116 8.054 -7.100 2.577 1.00 0.00 N ATOM 1372 CA ILE A 116 6.673 -7.512 2.758 1.00 0.00 C ATOM 1373 C ILE A 116 6.403 -8.759 1.914 1.00 0.00 C ATOM 1374 O ILE A 116 7.177 -9.086 1.016 1.00 0.00 O ATOM 1375 CB ILE A 116 5.724 -6.350 2.460 1.00 0.00 C ATOM 1376 CG1 ILE A 116 6.158 -5.084 3.199 1.00 0.00 C ATOM 1377 CG2 ILE A 116 4.275 -6.730 2.776 1.00 0.00 C ATOM 1378 CD1 ILE A 116 7.266 -4.355 2.435 1.00 0.00 C ATOM 0 H ILE A 116 8.241 -6.609 1.703 1.00 0.00 H new ATOM 0 HA ILE A 116 6.489 -7.784 3.797 1.00 0.00 H new ATOM 0 HB ILE A 116 5.775 -6.133 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.302 -4.421 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 116 6.510 -5.344 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.621 -5.886 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.982 -7.585 2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.189 -6.990 3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 116 7.556 -3.458 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.129 -5.012 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.903 -4.075 1.446 1.00 0.00 H new ATOM 1389 N ILE A 117 5.300 -9.423 2.232 1.00 0.00 N ATOM 1390 CA ILE A 117 4.918 -10.626 1.514 1.00 0.00 C ATOM 1391 C ILE A 117 3.398 -10.793 1.578 1.00 0.00 C ATOM 1392 O ILE A 117 2.857 -11.198 2.605 1.00 0.00 O ATOM 1393 CB ILE A 117 5.691 -11.836 2.045 1.00 0.00 C ATOM 1394 CG1 ILE A 117 7.194 -11.668 1.816 1.00 0.00 C ATOM 1395 CG2 ILE A 117 5.160 -13.136 1.439 1.00 0.00 C ATOM 1396 CD1 ILE A 117 7.960 -12.913 2.268 1.00 0.00 C ATOM 0 H ILE A 117 4.660 -9.150 2.977 1.00 0.00 H new ATOM 0 HA ILE A 117 5.186 -10.541 0.461 1.00 0.00 H new ATOM 0 HB ILE A 117 5.534 -11.897 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 117 7.386 -11.482 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 117 7.554 -10.797 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.727 -13.979 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 117 4.107 -13.254 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.267 -13.102 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 117 9.026 -12.767 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 117 7.785 -13.082 3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 117 7.615 -13.778 1.702 1.00 0.00 H new ATOM 1407 N LEU A 118 2.752 -10.469 0.467 1.00 0.00 N ATOM 1408 CA LEU A 118 1.306 -10.577 0.384 1.00 0.00 C ATOM 1409 C LEU A 118 0.937 -11.822 -0.426 1.00 0.00 C ATOM 1410 O LEU A 118 1.746 -12.319 -1.209 1.00 0.00 O ATOM 1411 CB LEU A 118 0.703 -9.284 -0.167 1.00 0.00 C ATOM 1412 CG LEU A 118 1.653 -8.387 -0.963 1.00 0.00 C ATOM 1413 CD1 LEU A 118 1.805 -8.887 -2.401 1.00 0.00 C ATOM 1414 CD2 LEU A 118 1.201 -6.926 -0.909 1.00 0.00 C ATOM 0 H LEU A 118 3.204 -10.132 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 118 0.876 -10.704 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.141 -9.544 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.305 -8.707 0.668 1.00 0.00 H new ATOM 0 HG LEU A 118 2.638 -8.437 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.485 -8.231 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.206 -9.900 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.832 -8.886 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.893 -6.310 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 118 0.201 -6.839 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.187 -6.588 0.127 1.00 0.00 H new ATOM 1425 N LYS A 119 -0.284 -12.289 -0.210 1.00 0.00 N ATOM 1426 CA LYS A 119 -0.769 -13.466 -0.910 1.00 0.00 C ATOM 1427 C LYS A 119 -0.441 -13.341 -2.399 1.00 0.00 C ATOM 1428 O LYS A 119 0.060 -12.308 -2.844 1.00 0.00 O ATOM 1429 CB LYS A 119 -2.256 -13.685 -0.624 1.00 0.00 C ATOM 1430 CG LYS A 119 -3.119 -12.735 -1.459 1.00 0.00 C ATOM 1431 CD LYS A 119 -4.556 -13.252 -1.565 1.00 0.00 C ATOM 1432 CE LYS A 119 -4.661 -14.369 -2.605 1.00 0.00 C ATOM 1433 NZ LYS A 119 -4.947 -15.664 -1.947 1.00 0.00 N ATOM 0 H LYS A 119 -0.952 -11.874 0.440 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.263 -14.360 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.525 -14.718 -0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.454 -13.526 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.118 -11.743 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.691 -12.631 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.886 -13.622 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.222 -12.433 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.450 -14.135 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.730 -14.438 -3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.624 -16.442 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.448 -15.708 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.971 -15.753 -1.786 1.00 0.00 H new ATOM 1443 N ASP A 120 -0.735 -14.406 -3.130 1.00 0.00 N ATOM 1444 CA ASP A 120 -0.477 -14.428 -4.560 1.00 0.00 C ATOM 1445 C ASP A 120 1.028 -14.564 -4.800 1.00 0.00 C ATOM 1446 O ASP A 120 1.478 -14.587 -5.945 1.00 0.00 O ATOM 1447 CB ASP A 120 -0.947 -13.132 -5.223 1.00 0.00 C ATOM 1448 CG ASP A 120 -1.868 -13.321 -6.430 1.00 0.00 C ATOM 1449 OD1 ASP A 120 -1.866 -14.445 -6.975 1.00 0.00 O ATOM 1450 OD2 ASP A 120 -2.554 -12.336 -6.780 1.00 0.00 O ATOM 0 H ASP A 120 -1.150 -15.261 -2.759 1.00 0.00 H new ATOM 0 HA ASP A 120 -1.020 -15.270 -4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -1.467 -12.529 -4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -0.071 -12.564 -5.538 1.00 0.00 H new ATOM 1454 N GLU A 121 1.765 -14.650 -3.702 1.00 0.00 N ATOM 1455 CA GLU A 121 3.210 -14.783 -3.780 1.00 0.00 C ATOM 1456 C GLU A 121 3.830 -13.512 -4.364 1.00 0.00 C ATOM 1457 O GLU A 121 4.146 -13.460 -5.550 1.00 0.00 O ATOM 1458 CB GLU A 121 3.604 -16.012 -4.601 1.00 0.00 C ATOM 1459 CG GLU A 121 3.818 -17.229 -3.699 1.00 0.00 C ATOM 1460 CD GLU A 121 5.304 -17.583 -3.599 1.00 0.00 C ATOM 1461 OE1 GLU A 121 5.999 -17.404 -4.622 1.00 0.00 O ATOM 1462 OE2 GLU A 121 5.709 -18.025 -2.502 1.00 0.00 O ATOM 0 H GLU A 121 1.389 -14.630 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 121 3.597 -14.922 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.826 -16.230 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.517 -15.804 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.422 -17.023 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.263 -18.080 -4.093 1.00 0.00 H new ATOM 1467 N ASN A 122 3.983 -12.517 -3.502 1.00 0.00 N ATOM 1468 CA ASN A 122 4.559 -11.249 -3.916 1.00 0.00 C ATOM 1469 C ASN A 122 5.131 -10.528 -2.694 1.00 0.00 C ATOM 1470 O ASN A 122 4.488 -10.470 -1.646 1.00 0.00 O ATOM 1471 CB ASN A 122 3.499 -10.342 -4.547 1.00 0.00 C ATOM 1472 CG ASN A 122 3.594 -10.368 -6.074 1.00 0.00 C ATOM 1473 OD1 ASN A 122 2.853 -11.056 -6.756 1.00 0.00 O ATOM 1474 ND2 ASN A 122 4.545 -9.580 -6.569 1.00 0.00 N ATOM 0 H ASN A 122 3.718 -12.564 -2.518 1.00 0.00 H new ATOM 0 HA ASN A 122 5.339 -11.457 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 122 2.506 -10.666 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 122 3.629 -9.321 -4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 122 4.689 -9.526 -7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 122 5.130 -9.030 -5.940 1.00 0.00 H new ATOM 1480 N SER A 123 6.332 -9.998 -2.867 1.00 0.00 N ATOM 1481 CA SER A 123 6.998 -9.284 -1.791 1.00 0.00 C ATOM 1482 C SER A 123 7.195 -7.817 -2.181 1.00 0.00 C ATOM 1483 O SER A 123 7.055 -7.456 -3.348 1.00 0.00 O ATOM 1484 CB SER A 123 8.343 -9.929 -1.452 1.00 0.00 C ATOM 1485 OG SER A 123 9.161 -10.098 -2.606 1.00 0.00 O ATOM 0 H SER A 123 6.862 -10.049 -3.737 1.00 0.00 H new ATOM 0 HA SER A 123 6.368 -9.336 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.868 -9.311 -0.723 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.172 -10.898 -0.984 1.00 0.00 H new ATOM 0 HG SER A 123 10.011 -10.511 -2.347 1.00 0.00 H new ATOM 1490 N VAL A 124 7.518 -7.012 -1.180 1.00 0.00 N ATOM 1491 CA VAL A 124 7.736 -5.592 -1.402 1.00 0.00 C ATOM 1492 C VAL A 124 8.875 -5.108 -0.502 1.00 0.00 C ATOM 1493 O VAL A 124 9.435 -5.886 0.270 1.00 0.00 O ATOM 1494 CB VAL A 124 6.433 -4.822 -1.183 1.00 0.00 C ATOM 1495 CG1 VAL A 124 6.306 -3.665 -2.177 1.00 0.00 C ATOM 1496 CG2 VAL A 124 5.224 -5.755 -1.270 1.00 0.00 C ATOM 0 H VAL A 124 7.634 -7.315 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 124 8.037 -5.409 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 124 6.458 -4.399 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.371 -3.134 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.143 -2.979 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.313 -4.057 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.310 -5.182 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.194 -6.220 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.305 -6.528 -0.506 1.00 0.00 H new ATOM 1506 N ILE A 125 9.185 -3.826 -0.631 1.00 0.00 N ATOM 1507 CA ILE A 125 10.247 -3.230 0.161 1.00 0.00 C ATOM 1508 C ILE A 125 9.806 -1.843 0.635 1.00 0.00 C ATOM 1509 O ILE A 125 10.150 -0.835 0.021 1.00 0.00 O ATOM 1510 CB ILE A 125 11.560 -3.223 -0.623 1.00 0.00 C ATOM 1511 CG1 ILE A 125 11.989 -4.646 -0.987 1.00 0.00 C ATOM 1512 CG2 ILE A 125 12.653 -2.474 0.145 1.00 0.00 C ATOM 1513 CD1 ILE A 125 11.399 -5.068 -2.334 1.00 0.00 C ATOM 0 H ILE A 125 8.719 -3.184 -1.272 1.00 0.00 H new ATOM 0 HA ILE A 125 10.438 -3.827 1.053 1.00 0.00 H new ATOM 0 HB ILE A 125 11.397 -2.687 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 125 13.077 -4.702 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.663 -5.338 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 125 13.576 -2.484 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 125 12.340 -1.443 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 125 12.822 -2.961 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.719 -6.083 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 125 10.311 -5.034 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 125 11.746 -4.388 -3.112 1.00 0.00 H new ATOM 1524 N PHE A 126 9.052 -1.838 1.724 1.00 0.00 N ATOM 1525 CA PHE A 126 8.560 -0.592 2.287 1.00 0.00 C ATOM 1526 C PHE A 126 9.612 0.053 3.194 1.00 0.00 C ATOM 1527 O PHE A 126 10.590 -0.591 3.571 1.00 0.00 O ATOM 1528 CB PHE A 126 7.326 -0.935 3.124 1.00 0.00 C ATOM 1529 CG PHE A 126 6.056 -1.151 2.298 1.00 0.00 C ATOM 1530 CD1 PHE A 126 5.902 -0.510 1.108 1.00 0.00 C ATOM 1531 CD2 PHE A 126 5.081 -1.982 2.755 1.00 0.00 C ATOM 1532 CE1 PHE A 126 4.722 -0.710 0.342 1.00 0.00 C ATOM 1533 CE2 PHE A 126 3.902 -2.182 1.989 1.00 0.00 C ATOM 1534 CZ PHE A 126 3.748 -1.542 0.798 1.00 0.00 C ATOM 0 H PHE A 126 8.770 -2.677 2.232 1.00 0.00 H new ATOM 0 HA PHE A 126 8.327 0.111 1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.530 -1.837 3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 126 7.150 -0.132 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 126 6.676 0.150 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 126 5.203 -2.490 3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 126 4.599 -0.201 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 126 3.128 -2.842 2.352 1.00 0.00 H new ATOM 0 HZ PHE A 126 2.852 -1.695 0.215 1.00 0.00 H new ATOM 1543 N SER A 127 9.375 1.315 3.516 1.00 0.00 N ATOM 1544 CA SER A 127 10.289 2.054 4.371 1.00 0.00 C ATOM 1545 C SER A 127 9.507 3.023 5.259 1.00 0.00 C ATOM 1546 O SER A 127 9.112 4.099 4.813 1.00 0.00 O ATOM 1547 CB SER A 127 11.326 2.813 3.541 1.00 0.00 C ATOM 1548 OG SER A 127 12.538 2.077 3.397 1.00 0.00 O ATOM 0 H SER A 127 8.563 1.846 3.200 1.00 0.00 H new ATOM 0 HA SER A 127 10.819 1.341 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 127 10.914 3.029 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 127 11.538 3.772 4.015 1.00 0.00 H new ATOM 0 HG SER A 127 13.137 2.283 4.145 1.00 0.00 H new ATOM 1553 N ALA A 128 9.306 2.607 6.501 1.00 0.00 N ATOM 1554 CA ALA A 128 8.579 3.424 7.456 1.00 0.00 C ATOM 1555 C ALA A 128 9.576 4.174 8.343 1.00 0.00 C ATOM 1556 O ALA A 128 10.612 3.628 8.716 1.00 0.00 O ATOM 1557 CB ALA A 128 7.627 2.541 8.266 1.00 0.00 C ATOM 0 H ALA A 128 9.635 1.714 6.868 1.00 0.00 H new ATOM 0 HA ALA A 128 7.972 4.168 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.082 3.155 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.920 2.055 7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 128 8.200 1.783 8.800 1.00 0.00 H new ATOM 1563 N LYS A 129 9.226 5.413 8.655 1.00 0.00 N ATOM 1564 CA LYS A 129 10.077 6.243 9.491 1.00 0.00 C ATOM 1565 C LYS A 129 9.379 6.497 10.829 1.00 0.00 C ATOM 1566 O LYS A 129 9.964 7.085 11.737 1.00 0.00 O ATOM 1567 CB LYS A 129 10.473 7.522 8.751 1.00 0.00 C ATOM 1568 CG LYS A 129 9.251 8.406 8.494 1.00 0.00 C ATOM 1569 CD LYS A 129 8.807 8.317 7.033 1.00 0.00 C ATOM 1570 CE LYS A 129 9.105 9.621 6.289 1.00 0.00 C ATOM 1571 NZ LYS A 129 7.853 10.365 6.027 1.00 0.00 N ATOM 0 H LYS A 129 8.365 5.862 8.344 1.00 0.00 H new ATOM 0 HA LYS A 129 11.012 5.728 9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.208 8.073 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.947 7.266 7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.433 8.100 9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.487 9.440 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 129 9.320 7.489 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.739 8.103 6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 129 9.784 10.236 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.609 9.403 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.073 11.247 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.218 9.782 5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.387 10.590 6.929 1.00 0.00 H new ATOM 1581 N SER A 130 8.137 6.041 10.907 1.00 0.00 N ATOM 1582 CA SER A 130 7.353 6.213 12.118 1.00 0.00 C ATOM 1583 C SER A 130 7.204 4.871 12.840 1.00 0.00 C ATOM 1584 O SER A 130 6.542 3.963 12.339 1.00 0.00 O ATOM 1585 CB SER A 130 5.976 6.801 11.804 1.00 0.00 C ATOM 1586 OG SER A 130 5.975 8.225 11.875 1.00 0.00 O ATOM 0 H SER A 130 7.655 5.553 10.152 1.00 0.00 H new ATOM 0 HA SER A 130 7.878 6.913 12.768 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.667 6.487 10.807 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.243 6.402 12.505 1.00 0.00 H new ATOM 0 HG SER A 130 5.079 8.562 11.667 1.00 0.00 H new ATOM 1591 N ALA A 131 7.831 4.788 14.004 1.00 0.00 N ATOM 1592 CA ALA A 131 7.777 3.574 14.798 1.00 0.00 C ATOM 1593 C ALA A 131 6.341 3.048 14.821 1.00 0.00 C ATOM 1594 O ALA A 131 6.119 1.837 14.826 1.00 0.00 O ATOM 1595 CB ALA A 131 8.316 3.856 16.202 1.00 0.00 C ATOM 0 H ALA A 131 8.379 5.543 14.416 1.00 0.00 H new ATOM 0 HA ALA A 131 8.405 2.800 14.357 1.00 0.00 H new ATOM 0 HB1 ALA A 131 8.275 2.944 16.797 1.00 0.00 H new ATOM 0 HB2 ALA A 131 9.349 4.198 16.133 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.709 4.627 16.677 1.00 0.00 H new ATOM 1601 N GLU A 132 5.402 3.983 14.835 1.00 0.00 N ATOM 1602 CA GLU A 132 3.993 3.628 14.857 1.00 0.00 C ATOM 1603 C GLU A 132 3.556 3.103 13.488 1.00 0.00 C ATOM 1604 O GLU A 132 2.867 2.088 13.400 1.00 0.00 O ATOM 1605 CB GLU A 132 3.135 4.820 15.285 1.00 0.00 C ATOM 1606 CG GLU A 132 2.457 4.552 16.631 1.00 0.00 C ATOM 1607 CD GLU A 132 0.985 4.181 16.438 1.00 0.00 C ATOM 1608 OE1 GLU A 132 0.331 4.860 15.617 1.00 0.00 O ATOM 1609 OE2 GLU A 132 0.547 3.227 17.117 1.00 0.00 O ATOM 0 H GLU A 132 5.589 4.986 14.832 1.00 0.00 H new ATOM 0 HA GLU A 132 3.850 2.835 15.591 1.00 0.00 H new ATOM 0 HB2 GLU A 132 3.756 5.712 15.358 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.379 5.020 14.526 1.00 0.00 H new ATOM 0 HG2 GLU A 132 2.975 3.744 17.149 1.00 0.00 H new ATOM 0 HG3 GLU A 132 2.533 5.437 17.263 1.00 0.00 H new ATOM 1614 N GLU A 133 3.976 3.816 12.454 1.00 0.00 N ATOM 1615 CA GLU A 133 3.637 3.434 11.094 1.00 0.00 C ATOM 1616 C GLU A 133 4.158 2.028 10.792 1.00 0.00 C ATOM 1617 O GLU A 133 3.447 1.211 10.208 1.00 0.00 O ATOM 1618 CB GLU A 133 4.183 4.449 10.087 1.00 0.00 C ATOM 1619 CG GLU A 133 3.495 5.805 10.247 1.00 0.00 C ATOM 1620 CD GLU A 133 2.001 5.703 9.927 1.00 0.00 C ATOM 1621 OE1 GLU A 133 1.250 5.311 10.845 1.00 0.00 O ATOM 1622 OE2 GLU A 133 1.646 6.021 8.772 1.00 0.00 O ATOM 0 H GLU A 133 4.548 4.657 12.531 1.00 0.00 H new ATOM 0 HA GLU A 133 2.551 3.426 11.000 1.00 0.00 H new ATOM 0 HB2 GLU A 133 5.258 4.564 10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 133 4.032 4.078 9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 133 3.628 6.166 11.267 1.00 0.00 H new ATOM 0 HG3 GLU A 133 3.963 6.535 9.586 1.00 0.00 H new ATOM 1627 N LYS A 134 5.395 1.788 11.203 1.00 0.00 N ATOM 1628 CA LYS A 134 6.019 0.495 10.984 1.00 0.00 C ATOM 1629 C LYS A 134 5.153 -0.598 11.615 1.00 0.00 C ATOM 1630 O LYS A 134 4.953 -1.656 11.023 1.00 0.00 O ATOM 1631 CB LYS A 134 7.463 0.503 11.490 1.00 0.00 C ATOM 1632 CG LYS A 134 7.617 -0.386 12.724 1.00 0.00 C ATOM 1633 CD LYS A 134 9.086 -0.502 13.137 1.00 0.00 C ATOM 1634 CE LYS A 134 9.390 0.389 14.342 1.00 0.00 C ATOM 1635 NZ LYS A 134 10.410 -0.242 15.209 1.00 0.00 N ATOM 0 H LYS A 134 5.982 2.468 11.687 1.00 0.00 H new ATOM 0 HA LYS A 134 6.081 0.278 9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.130 0.155 10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.761 1.523 11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.035 0.026 13.548 1.00 0.00 H new ATOM 0 HG3 LYS A 134 7.215 -1.377 12.515 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.318 -1.539 13.380 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.726 -0.219 12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 134 9.745 1.362 14.002 1.00 0.00 H new ATOM 0 HE3 LYS A 134 8.477 0.564 14.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.605 0.376 16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 10.058 -1.160 15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.286 -0.386 14.667 1.00 0.00 H new ATOM 1645 N ASN A 135 4.663 -0.303 12.811 1.00 0.00 N ATOM 1646 CA ASN A 135 3.823 -1.247 13.529 1.00 0.00 C ATOM 1647 C ASN A 135 2.428 -1.260 12.902 1.00 0.00 C ATOM 1648 O ASN A 135 1.826 -2.321 12.740 1.00 0.00 O ATOM 1649 CB ASN A 135 3.678 -0.847 14.999 1.00 0.00 C ATOM 1650 CG ASN A 135 2.962 -1.940 15.796 1.00 0.00 C ATOM 1651 OD1 ASN A 135 1.909 -2.429 15.421 1.00 0.00 O ATOM 1652 ND2 ASN A 135 3.590 -2.294 16.912 1.00 0.00 N ATOM 0 H ASN A 135 4.832 0.576 13.300 1.00 0.00 H new ATOM 0 HA ASN A 135 4.290 -2.230 13.467 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.663 -0.664 15.429 1.00 0.00 H new ATOM 0 HB3 ASN A 135 3.120 0.086 15.072 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.193 -3.016 17.514 1.00 0.00 H new ATOM 0 HD22 ASN A 135 4.469 -1.844 17.167 1.00 0.00 H new ATOM 1658 N ASN A 136 1.953 -0.070 12.566 1.00 0.00 N ATOM 1659 CA ASN A 136 0.638 0.068 11.962 1.00 0.00 C ATOM 1660 C ASN A 136 0.715 -0.339 10.489 1.00 0.00 C ATOM 1661 O ASN A 136 -0.311 -0.579 9.853 1.00 0.00 O ATOM 1662 CB ASN A 136 0.152 1.517 12.027 1.00 0.00 C ATOM 1663 CG ASN A 136 -1.114 1.633 12.880 1.00 0.00 C ATOM 1664 OD1 ASN A 136 -1.994 0.788 12.849 1.00 0.00 O ATOM 1665 ND2 ASN A 136 -1.154 2.721 13.642 1.00 0.00 N ATOM 0 H ASN A 136 2.455 0.808 12.700 1.00 0.00 H new ATOM 0 HA ASN A 136 -0.055 -0.570 12.511 1.00 0.00 H new ATOM 0 HB2 ASN A 136 0.936 2.149 12.445 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -0.049 1.883 11.020 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -1.956 2.889 14.250 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -0.383 3.388 13.619 1.00 0.00 H new ATOM 1671 N TRP A 137 1.941 -0.404 9.988 1.00 0.00 N ATOM 1672 CA TRP A 137 2.164 -0.778 8.603 1.00 0.00 C ATOM 1673 C TRP A 137 2.102 -2.304 8.508 1.00 0.00 C ATOM 1674 O TRP A 137 1.541 -2.849 7.559 1.00 0.00 O ATOM 1675 CB TRP A 137 3.482 -0.201 8.084 1.00 0.00 C ATOM 1676 CG TRP A 137 3.415 1.288 7.737 1.00 0.00 C ATOM 1677 CD1 TRP A 137 2.435 2.158 8.018 1.00 0.00 C ATOM 1678 CD2 TRP A 137 4.414 2.051 7.028 1.00 0.00 C ATOM 1679 NE1 TRP A 137 2.728 3.420 7.543 1.00 0.00 N ATOM 1680 CE2 TRP A 137 3.969 3.354 6.922 1.00 0.00 C ATOM 1681 CE3 TRP A 137 5.651 1.655 6.492 1.00 0.00 C ATOM 1682 CZ2 TRP A 137 4.700 4.364 6.286 1.00 0.00 C ATOM 1683 CZ3 TRP A 137 6.370 2.676 5.860 1.00 0.00 C ATOM 1684 CH2 TRP A 137 5.937 3.992 5.746 1.00 0.00 C ATOM 0 H TRP A 137 2.789 -0.204 10.518 1.00 0.00 H new ATOM 0 HA TRP A 137 1.389 -0.357 7.962 1.00 0.00 H new ATOM 0 HB2 TRP A 137 4.255 -0.354 8.837 1.00 0.00 H new ATOM 0 HB3 TRP A 137 3.786 -0.757 7.197 1.00 0.00 H new ATOM 0 HD1 TRP A 137 1.530 1.903 8.549 1.00 0.00 H new ATOM 0 HE1 TRP A 137 2.141 4.249 7.632 1.00 0.00 H new ATOM 0 HE3 TRP A 137 6.018 0.642 6.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 4.330 5.376 6.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 7.328 2.424 5.431 1.00 0.00 H new ATOM 0 HH2 TRP A 137 6.552 4.724 5.243 1.00 0.00 H new ATOM 1694 N MET A 138 2.687 -2.951 9.506 1.00 0.00 N ATOM 1695 CA MET A 138 2.705 -4.403 9.548 1.00 0.00 C ATOM 1696 C MET A 138 1.473 -4.947 10.274 1.00 0.00 C ATOM 1697 O MET A 138 0.935 -5.986 9.898 1.00 0.00 O ATOM 1698 CB MET A 138 3.972 -4.877 10.264 1.00 0.00 C ATOM 1699 CG MET A 138 4.117 -4.197 11.627 1.00 0.00 C ATOM 1700 SD MET A 138 4.217 -5.428 12.916 1.00 0.00 S ATOM 1701 CE MET A 138 2.757 -5.012 13.856 1.00 0.00 C ATOM 0 H MET A 138 3.152 -2.496 10.292 1.00 0.00 H new ATOM 0 HA MET A 138 2.694 -4.778 8.524 1.00 0.00 H new ATOM 0 HB2 MET A 138 3.937 -5.959 10.395 1.00 0.00 H new ATOM 0 HB3 MET A 138 4.845 -4.658 9.649 1.00 0.00 H new ATOM 0 HG2 MET A 138 5.011 -3.573 11.638 1.00 0.00 H new ATOM 0 HG3 MET A 138 3.267 -3.539 11.807 1.00 0.00 H new ATOM 0 HE1 MET A 138 2.979 -5.078 14.921 1.00 0.00 H new ATOM 0 HE2 MET A 138 2.445 -3.997 13.612 1.00 0.00 H new ATOM 0 HE3 MET A 138 1.955 -5.708 13.609 1.00 0.00 H new ATOM 1709 N ALA A 139 1.063 -4.218 11.302 1.00 0.00 N ATOM 1710 CA ALA A 139 -0.096 -4.614 12.084 1.00 0.00 C ATOM 1711 C ALA A 139 -1.343 -4.564 11.200 1.00 0.00 C ATOM 1712 O ALA A 139 -2.152 -5.491 11.208 1.00 0.00 O ATOM 1713 CB ALA A 139 -0.216 -3.711 13.313 1.00 0.00 C ATOM 0 H ALA A 139 1.512 -3.356 11.611 1.00 0.00 H new ATOM 0 HA ALA A 139 0.014 -5.638 12.442 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.085 -4.008 13.899 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.682 -3.805 13.923 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.331 -2.675 12.994 1.00 0.00 H new ATOM 1719 N ALA A 140 -1.462 -3.472 10.460 1.00 0.00 N ATOM 1720 CA ALA A 140 -2.598 -3.288 9.572 1.00 0.00 C ATOM 1721 C ALA A 140 -2.690 -4.479 8.616 1.00 0.00 C ATOM 1722 O ALA A 140 -3.767 -5.039 8.417 1.00 0.00 O ATOM 1723 CB ALA A 140 -2.459 -1.956 8.833 1.00 0.00 C ATOM 0 H ALA A 140 -0.790 -2.705 10.457 1.00 0.00 H new ATOM 0 HA ALA A 140 -3.527 -3.249 10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -3.311 -1.819 8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -2.428 -1.141 9.556 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.539 -1.958 8.249 1.00 0.00 H new ATOM 1729 N LEU A 141 -1.545 -4.831 8.048 1.00 0.00 N ATOM 1730 CA LEU A 141 -1.483 -5.944 7.117 1.00 0.00 C ATOM 1731 C LEU A 141 -1.770 -7.246 7.867 1.00 0.00 C ATOM 1732 O LEU A 141 -2.510 -8.098 7.377 1.00 0.00 O ATOM 1733 CB LEU A 141 -0.147 -5.945 6.372 1.00 0.00 C ATOM 1734 CG LEU A 141 -0.215 -5.655 4.871 1.00 0.00 C ATOM 1735 CD1 LEU A 141 -0.760 -4.250 4.609 1.00 0.00 C ATOM 1736 CD2 LEU A 141 1.146 -5.875 4.207 1.00 0.00 C ATOM 0 H LEU A 141 -0.653 -4.365 8.215 1.00 0.00 H new ATOM 0 HA LEU A 141 -2.250 -5.842 6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 141 0.505 -5.205 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 141 0.324 -6.918 6.513 1.00 0.00 H new ATOM 0 HG LEU A 141 -0.911 -6.361 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -0.798 -4.069 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -1.763 -4.165 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -0.108 -3.513 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 141 1.069 -5.662 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 141 1.883 -5.210 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 141 1.457 -6.910 4.349 1.00 0.00 H new ATOM 1747 N ILE A 142 -1.169 -7.360 9.042 1.00 0.00 N ATOM 1748 CA ILE A 142 -1.351 -8.545 9.864 1.00 0.00 C ATOM 1749 C ILE A 142 -2.795 -8.594 10.368 1.00 0.00 C ATOM 1750 O ILE A 142 -3.273 -9.645 10.792 1.00 0.00 O ATOM 1751 CB ILE A 142 -0.308 -8.586 10.983 1.00 0.00 C ATOM 1752 CG1 ILE A 142 1.004 -9.199 10.487 1.00 0.00 C ATOM 1753 CG2 ILE A 142 -0.852 -9.314 12.213 1.00 0.00 C ATOM 1754 CD1 ILE A 142 0.764 -10.575 9.862 1.00 0.00 C ATOM 0 H ILE A 142 -0.556 -6.652 9.445 1.00 0.00 H new ATOM 0 HA ILE A 142 -1.188 -9.447 9.274 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.091 -7.562 11.286 1.00 0.00 H new ATOM 0 HG12 ILE A 142 1.464 -8.537 9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 142 1.704 -9.290 11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 142 -0.091 -9.329 12.993 1.00 0.00 H new ATOM 0 HG22 ILE A 142 -1.738 -8.796 12.580 1.00 0.00 H new ATOM 0 HG23 ILE A 142 -1.115 -10.337 11.944 1.00 0.00 H new ATOM 0 HD11 ILE A 142 1.712 -10.989 9.518 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.326 -11.241 10.606 1.00 0.00 H new ATOM 0 HD13 ILE A 142 0.083 -10.477 9.017 1.00 0.00 H new ATOM 1765 N SER A 143 -3.450 -7.444 10.304 1.00 0.00 N ATOM 1766 CA SER A 143 -4.829 -7.343 10.748 1.00 0.00 C ATOM 1767 C SER A 143 -5.751 -8.062 9.761 1.00 0.00 C ATOM 1768 O SER A 143 -6.685 -8.751 10.168 1.00 0.00 O ATOM 1769 CB SER A 143 -5.253 -5.880 10.900 1.00 0.00 C ATOM 1770 OG SER A 143 -6.528 -5.756 11.525 1.00 0.00 O ATOM 0 H SER A 143 -3.051 -6.574 9.951 1.00 0.00 H new ATOM 0 HA SER A 143 -4.909 -7.820 11.725 1.00 0.00 H new ATOM 0 HB2 SER A 143 -4.507 -5.346 11.489 1.00 0.00 H new ATOM 0 HB3 SER A 143 -5.283 -5.407 9.918 1.00 0.00 H new ATOM 0 HG SER A 143 -6.762 -4.808 11.605 1.00 0.00 H new ATOM 1775 N LEU A 144 -5.456 -7.876 8.483 1.00 0.00 N ATOM 1776 CA LEU A 144 -6.247 -8.499 7.435 1.00 0.00 C ATOM 1777 C LEU A 144 -5.966 -10.003 7.415 1.00 0.00 C ATOM 1778 O LEU A 144 -6.865 -10.809 7.653 1.00 0.00 O ATOM 1779 CB LEU A 144 -5.996 -7.810 6.092 1.00 0.00 C ATOM 1780 CG LEU A 144 -6.495 -6.368 5.975 1.00 0.00 C ATOM 1781 CD1 LEU A 144 -6.498 -5.906 4.516 1.00 0.00 C ATOM 1782 CD2 LEU A 144 -7.869 -6.209 6.629 1.00 0.00 C ATOM 0 H LEU A 144 -4.681 -7.303 8.149 1.00 0.00 H new ATOM 0 HA LEU A 144 -7.311 -8.375 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -4.924 -7.820 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.469 -8.402 5.308 1.00 0.00 H new ATOM 0 HG LEU A 144 -5.804 -5.722 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -6.857 -4.878 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -5.486 -5.959 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.154 -6.551 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -8.201 -5.175 6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.585 -6.867 6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -7.802 -6.471 7.685 1.00 0.00 H new ATOM 1793 N GLN A 145 -4.716 -10.336 7.131 1.00 0.00 N ATOM 1794 CA GLN A 145 -4.306 -11.729 7.077 1.00 0.00 C ATOM 1795 C GLN A 145 -4.775 -12.469 8.331 1.00 0.00 C ATOM 1796 O GLN A 145 -4.893 -13.694 8.326 1.00 0.00 O ATOM 1797 CB GLN A 145 -2.790 -11.848 6.906 1.00 0.00 C ATOM 1798 CG GLN A 145 -2.081 -11.825 8.261 1.00 0.00 C ATOM 1799 CD GLN A 145 -1.548 -13.213 8.624 1.00 0.00 C ATOM 1800 OE1 GLN A 145 -2.302 -13.871 9.500 1.00 0.00 O flip ATOM 1801 NE2 GLN A 145 -0.519 -13.656 8.141 1.00 0.00 N flip ATOM 0 H GLN A 145 -3.973 -9.665 6.936 1.00 0.00 H new ATOM 0 HA GLN A 145 -4.774 -12.192 6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -2.551 -12.774 6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -2.425 -11.029 6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -1.258 -11.111 8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -2.772 -11.484 9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 145 0.013 -13.098 7.473 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -0.190 -14.585 8.405 1.00 0.00 H new ATOM 1808 N TYR A 146 -5.032 -11.694 9.375 1.00 0.00 N ATOM 1809 CA TYR A 146 -5.487 -12.261 10.634 1.00 0.00 C ATOM 1810 C TYR A 146 -6.914 -12.796 10.510 1.00 0.00 C ATOM 1811 O TYR A 146 -7.299 -13.721 11.224 1.00 0.00 O ATOM 1812 CB TYR A 146 -5.471 -11.112 11.644 1.00 0.00 C ATOM 1813 CG TYR A 146 -4.363 -11.221 12.693 1.00 0.00 C ATOM 1814 CD1 TYR A 146 -3.173 -11.844 12.377 1.00 0.00 C ATOM 1815 CD2 TYR A 146 -4.553 -10.695 13.955 1.00 0.00 C ATOM 1816 CE1 TYR A 146 -2.130 -11.947 13.365 1.00 0.00 C ATOM 1817 CE2 TYR A 146 -3.510 -10.798 14.942 1.00 0.00 C ATOM 1818 CZ TYR A 146 -2.349 -11.419 14.598 1.00 0.00 C ATOM 1819 OH TYR A 146 -1.365 -11.515 15.531 1.00 0.00 O ATOM 0 H TYR A 146 -4.934 -10.679 9.375 1.00 0.00 H new ATOM 0 HA TYR A 146 -4.847 -13.091 10.935 1.00 0.00 H new ATOM 0 HB2 TYR A 146 -5.357 -10.171 11.106 1.00 0.00 H new ATOM 0 HB3 TYR A 146 -6.435 -11.074 12.151 1.00 0.00 H new ATOM 0 HD1 TYR A 146 -3.024 -12.254 11.389 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -5.484 -10.206 14.202 1.00 0.00 H new ATOM 0 HE1 TYR A 146 -1.194 -12.433 13.131 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -3.646 -10.392 15.933 1.00 0.00 H new ATOM 0 HH TYR A 146 -1.662 -11.093 16.364 1.00 0.00 H new ATOM 1828 N ARG A 147 -7.662 -12.192 9.598 1.00 0.00 N ATOM 1829 CA ARG A 147 -9.039 -12.597 9.371 1.00 0.00 C ATOM 1830 C ARG A 147 -9.111 -13.629 8.245 1.00 0.00 C ATOM 1831 O ARG A 147 -10.176 -13.858 7.675 1.00 0.00 O ATOM 1832 CB ARG A 147 -9.913 -11.394 9.008 1.00 0.00 C ATOM 1833 CG ARG A 147 -10.663 -10.872 10.235 1.00 0.00 C ATOM 1834 CD ARG A 147 -11.808 -9.944 9.824 1.00 0.00 C ATOM 1835 NE ARG A 147 -11.270 -8.633 9.399 1.00 0.00 N ATOM 1836 CZ ARG A 147 -10.739 -7.731 10.237 1.00 0.00 C ATOM 1837 NH1 ARG A 147 -10.672 -7.995 11.549 1.00 0.00 N ATOM 1838 NH2 ARG A 147 -10.275 -6.568 9.761 1.00 0.00 N ATOM 0 H ARG A 147 -7.340 -11.425 9.008 1.00 0.00 H new ATOM 0 HA ARG A 147 -9.412 -13.038 10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -9.292 -10.601 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -10.627 -11.678 8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.058 -11.711 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -9.973 -10.337 10.887 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -12.377 -10.394 9.010 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -12.496 -9.811 10.659 1.00 0.00 H new ATOM 0 HE ARG A 147 -11.305 -8.401 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -11.025 -8.882 11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -10.268 -7.309 12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -10.326 -6.369 8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -9.871 -5.881 10.398 1.00 0.00 H new ATOM 1849 N SER A 148 -7.963 -14.224 7.957 1.00 0.00 N ATOM 1850 CA SER A 148 -7.882 -15.227 6.909 1.00 0.00 C ATOM 1851 C SER A 148 -7.823 -16.626 7.526 1.00 0.00 C ATOM 1852 O SER A 148 -7.224 -17.536 6.954 1.00 0.00 O ATOM 1853 CB SER A 148 -6.664 -14.991 6.013 1.00 0.00 C ATOM 1854 OG SER A 148 -7.002 -15.040 4.629 1.00 0.00 O ATOM 0 H SER A 148 -7.081 -14.031 8.431 1.00 0.00 H new ATOM 0 HA SER A 148 -8.776 -15.147 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 148 -6.226 -14.020 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 148 -5.905 -15.743 6.228 1.00 0.00 H new ATOM 0 HG SER A 148 -7.379 -14.178 4.354 1.00 0.00 H new ATOM 1859 N THR A 149 -8.452 -16.753 8.685 1.00 0.00 N ATOM 1860 CA THR A 149 -8.478 -18.026 9.386 1.00 0.00 C ATOM 1861 C THR A 149 -9.373 -17.935 10.623 1.00 0.00 C ATOM 1862 O THR A 149 -10.125 -18.863 10.919 1.00 0.00 O ATOM 1863 CB THR A 149 -7.036 -18.419 9.707 1.00 0.00 C ATOM 1864 OG1 THR A 149 -6.977 -19.810 9.403 1.00 0.00 O ATOM 1865 CG2 THR A 149 -6.730 -18.352 11.205 1.00 0.00 C ATOM 0 H THR A 149 -8.947 -15.996 9.156 1.00 0.00 H new ATOM 0 HA THR A 149 -8.913 -18.810 8.766 1.00 0.00 H new ATOM 0 HB THR A 149 -6.354 -17.763 9.167 1.00 0.00 H new ATOM 0 HG1 THR A 149 -6.074 -20.146 9.582 1.00 0.00 H new ATOM 0 HG21 THR A 149 -5.693 -18.641 11.378 1.00 0.00 H new ATOM 0 HG22 THR A 149 -6.888 -17.335 11.564 1.00 0.00 H new ATOM 0 HG23 THR A 149 -7.391 -19.033 11.742 1.00 0.00 H new ATOM 1873 N LEU A 150 -9.264 -16.808 11.312 1.00 0.00 N ATOM 1874 CA LEU A 150 -10.054 -16.585 12.510 1.00 0.00 C ATOM 1875 C LEU A 150 -11.235 -15.671 12.174 1.00 0.00 C ATOM 1876 O LEU A 150 -11.609 -15.537 11.010 1.00 0.00 O ATOM 1877 CB LEU A 150 -9.171 -16.056 13.643 1.00 0.00 C ATOM 1878 CG LEU A 150 -8.844 -14.562 13.596 1.00 0.00 C ATOM 1879 CD1 LEU A 150 -9.641 -13.792 14.652 1.00 0.00 C ATOM 1880 CD2 LEU A 150 -7.338 -14.326 13.730 1.00 0.00 C ATOM 0 H LEU A 150 -8.640 -16.040 11.063 1.00 0.00 H new ATOM 0 HA LEU A 150 -10.470 -17.525 12.872 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -9.664 -16.270 14.591 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -8.234 -16.613 13.637 1.00 0.00 H new ATOM 0 HG LEU A 150 -9.145 -14.177 12.622 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -9.390 -12.733 14.597 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -10.708 -13.922 14.469 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -9.394 -14.172 15.643 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.133 -13.256 13.694 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.990 -14.730 14.680 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.818 -14.823 12.912 1.00 0.00 H new