USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 847 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 48 THR OG1 : rot 180:sc= -0.153 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -0.147 X(o=-0.3,f=0.12) USER MOD Set 2.1: A 19 SER OG : rot -116:sc= 1.81 USER MOD Set 2.2: A 21 SER OG : rot -57:sc= -0.901 USER MOD Set 2.3: A 22 GLN : amide:sc= -0.0282 K(o=0.88,f=-2.8!) USER MOD Set 2.4: A 25 GLN : amide:sc= 0 K(o=0.88,f=-2.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 17 ASN : amide:sc=-0.00241 K(o=-0.0024,f=-1.2) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 29 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.58) USER MOD Single : A 30 LYS NZ :NH3+ -115:sc= -2.03! (180deg=-7.14!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 178:sc= -0.684 (180deg=-0.724) USER MOD Single : A 40 ASN : amide:sc=-0.00491 K(o=-0.0049,f=-1.4) USER MOD Single : A 41 SER OG : rot 130:sc= -0.0475 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0071 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 46 MET CE :methyl 148:sc= -0.297 (180deg=-1.68!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0448 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 0.0162 (180deg=0.00209) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.585 F(o=-1.4,f=-0.59) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.31) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.312 K(o=-0.31,f=-4.6!) USER MOD Single : A 74 ASN : amide:sc=-0.00626 X(o=-0.0063,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc=-0.00397 (180deg=-0.111) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.52 K(o=-1.5,f=-6.2!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -28:sc= 0.645 USER MOD Single : A 89 LYS NZ :NH3+ -120:sc= -0.505 (180deg=-2.26!) USER MOD Single : A 92 HIS : no HD1:sc=-0.00587 X(o=-0.0059,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.59) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.052 F(o=-0.72,f=-0.052) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -1.99 F(o=-3.5!,f=-2) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.273 -12.655 -19.777 1.00 0.00 N ATOM 2 CA GLY A 1 -4.135 -12.697 -18.877 1.00 0.00 C ATOM 3 C GLY A 1 -3.986 -14.041 -18.192 1.00 0.00 C ATOM 4 O GLY A 1 -4.926 -14.536 -17.571 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.331 -11.716 -20.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.159 -13.379 -20.515 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.146 -12.840 -19.242 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.226 -12.475 -19.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.244 -11.918 -18.122 1.00 0.00 H new ATOM 8 N SER A 2 -2.801 -14.633 -18.306 1.00 0.00 N ATOM 9 CA SER A 2 -2.534 -15.930 -17.696 1.00 0.00 C ATOM 10 C SER A 2 -2.949 -15.937 -16.228 1.00 0.00 C ATOM 11 O SER A 2 -3.073 -14.885 -15.602 1.00 0.00 O ATOM 12 CB SER A 2 -1.049 -16.279 -17.820 1.00 0.00 C ATOM 13 OG SER A 2 -0.637 -16.284 -19.175 1.00 0.00 O ATOM 0 H SER A 2 -2.011 -14.235 -18.815 1.00 0.00 H new ATOM 0 HA SER A 2 -3.122 -16.680 -18.225 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.455 -15.558 -17.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.864 -17.258 -17.377 1.00 0.00 H new ATOM 0 HG SER A 2 0.316 -16.508 -19.226 1.00 0.00 H new ATOM 19 N SER A 3 -3.163 -17.131 -15.686 1.00 0.00 N ATOM 20 CA SER A 3 -3.568 -17.277 -14.292 1.00 0.00 C ATOM 21 C SER A 3 -2.838 -18.443 -13.634 1.00 0.00 C ATOM 22 O SER A 3 -2.455 -19.405 -14.297 1.00 0.00 O ATOM 23 CB SER A 3 -5.080 -17.489 -14.199 1.00 0.00 C ATOM 24 OG SER A 3 -5.508 -17.518 -12.849 1.00 0.00 O ATOM 0 H SER A 3 -3.063 -18.012 -16.190 1.00 0.00 H new ATOM 0 HA SER A 3 -3.303 -16.361 -13.764 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.596 -16.689 -14.730 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.350 -18.424 -14.690 1.00 0.00 H new ATOM 0 HG SER A 3 -6.478 -17.653 -12.816 1.00 0.00 H new ATOM 30 N GLY A 4 -2.647 -18.349 -12.321 1.00 0.00 N ATOM 31 CA GLY A 4 -1.963 -19.401 -11.592 1.00 0.00 C ATOM 32 C GLY A 4 -0.461 -19.200 -11.557 1.00 0.00 C ATOM 33 O GLY A 4 0.303 -20.141 -11.771 1.00 0.00 O ATOM 0 H GLY A 4 -2.954 -17.562 -11.749 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.345 -19.440 -10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.187 -20.363 -12.053 1.00 0.00 H new ATOM 37 N SER A 5 -0.036 -17.969 -11.287 1.00 0.00 N ATOM 38 CA SER A 5 1.384 -17.647 -11.230 1.00 0.00 C ATOM 39 C SER A 5 1.733 -16.959 -9.913 1.00 0.00 C ATOM 40 O SER A 5 1.401 -15.792 -9.703 1.00 0.00 O ATOM 41 CB SER A 5 1.772 -16.748 -12.406 1.00 0.00 C ATOM 42 OG SER A 5 1.541 -17.400 -13.643 1.00 0.00 O ATOM 0 H SER A 5 -0.655 -17.179 -11.105 1.00 0.00 H new ATOM 0 HA SER A 5 1.945 -18.579 -11.293 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.197 -15.823 -12.366 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.824 -16.473 -12.327 1.00 0.00 H new ATOM 0 HG SER A 5 1.795 -16.805 -14.379 1.00 0.00 H new ATOM 48 N SER A 6 2.404 -17.691 -9.030 1.00 0.00 N ATOM 49 CA SER A 6 2.795 -17.154 -7.732 1.00 0.00 C ATOM 50 C SER A 6 3.611 -15.875 -7.896 1.00 0.00 C ATOM 51 O SER A 6 3.919 -15.460 -9.013 1.00 0.00 O ATOM 52 CB SER A 6 3.603 -18.191 -6.950 1.00 0.00 C ATOM 53 OG SER A 6 4.939 -18.253 -7.416 1.00 0.00 O ATOM 0 H SER A 6 2.688 -18.657 -9.190 1.00 0.00 H new ATOM 0 HA SER A 6 1.888 -16.916 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.596 -17.938 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.135 -19.170 -7.047 1.00 0.00 H new ATOM 0 HG SER A 6 5.435 -18.922 -6.899 1.00 0.00 H new ATOM 59 N GLY A 7 3.958 -15.254 -6.773 1.00 0.00 N ATOM 60 CA GLY A 7 4.735 -14.029 -6.813 1.00 0.00 C ATOM 61 C GLY A 7 3.956 -12.867 -7.398 1.00 0.00 C ATOM 62 O GLY A 7 3.468 -12.943 -8.527 1.00 0.00 O ATOM 0 H GLY A 7 3.715 -15.577 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.058 -13.774 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.636 -14.193 -7.404 1.00 0.00 H new ATOM 66 N LEU A 8 3.836 -11.789 -6.630 1.00 0.00 N ATOM 67 CA LEU A 8 3.109 -10.607 -7.079 1.00 0.00 C ATOM 68 C LEU A 8 3.993 -9.724 -7.953 1.00 0.00 C ATOM 69 O LEU A 8 4.007 -8.501 -7.804 1.00 0.00 O ATOM 70 CB LEU A 8 2.602 -9.810 -5.876 1.00 0.00 C ATOM 71 CG LEU A 8 1.577 -10.515 -4.988 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.694 -10.033 -3.550 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.168 -10.288 -5.515 1.00 0.00 C ATOM 0 H LEU A 8 4.233 -11.710 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 8 2.257 -10.938 -7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.459 -9.535 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.161 -8.882 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 8 1.783 -11.585 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.956 -10.546 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.694 -10.248 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.515 -8.958 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.548 -10.797 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.049 -9.220 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.090 -10.684 -6.528 1.00 0.00 H new ATOM 85 N ASP A 9 4.728 -10.349 -8.865 1.00 0.00 N ATOM 86 CA ASP A 9 5.614 -9.619 -9.766 1.00 0.00 C ATOM 87 C ASP A 9 4.822 -8.972 -10.899 1.00 0.00 C ATOM 88 O ASP A 9 5.103 -7.842 -11.299 1.00 0.00 O ATOM 89 CB ASP A 9 6.677 -10.556 -10.340 1.00 0.00 C ATOM 90 CG ASP A 9 7.812 -9.804 -11.006 1.00 0.00 C ATOM 91 OD1 ASP A 9 8.794 -9.475 -10.308 1.00 0.00 O ATOM 92 OD2 ASP A 9 7.719 -9.544 -12.224 1.00 0.00 O ATOM 0 H ASP A 9 4.729 -11.360 -9.001 1.00 0.00 H new ATOM 0 HA ASP A 9 6.106 -8.832 -9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.078 -11.179 -9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.214 -11.226 -11.065 1.00 0.00 H new ATOM 97 N ASP A 10 3.833 -9.696 -11.411 1.00 0.00 N ATOM 98 CA ASP A 10 3.001 -9.193 -12.499 1.00 0.00 C ATOM 99 C ASP A 10 2.595 -7.745 -12.245 1.00 0.00 C ATOM 100 O ASP A 10 2.593 -6.920 -13.161 1.00 0.00 O ATOM 101 CB ASP A 10 1.755 -10.064 -12.661 1.00 0.00 C ATOM 102 CG ASP A 10 1.021 -9.789 -13.958 1.00 0.00 C ATOM 103 OD1 ASP A 10 1.645 -9.916 -15.032 1.00 0.00 O ATOM 104 OD2 ASP A 10 -0.179 -9.447 -13.900 1.00 0.00 O ATOM 0 H ASP A 10 3.587 -10.633 -11.091 1.00 0.00 H new ATOM 0 HA ASP A 10 3.584 -9.233 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.043 -11.115 -12.626 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.082 -9.889 -11.822 1.00 0.00 H new ATOM 109 N TYR A 11 2.250 -7.441 -10.999 1.00 0.00 N ATOM 110 CA TYR A 11 1.838 -6.093 -10.627 1.00 0.00 C ATOM 111 C TYR A 11 3.045 -5.167 -10.514 1.00 0.00 C ATOM 112 O TYR A 11 4.191 -5.616 -10.535 1.00 0.00 O ATOM 113 CB TYR A 11 1.074 -6.118 -9.302 1.00 0.00 C ATOM 114 CG TYR A 11 -0.059 -7.120 -9.275 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.328 -6.776 -9.722 1.00 0.00 C ATOM 116 CD2 TYR A 11 0.142 -8.412 -8.804 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.366 -7.687 -9.699 1.00 0.00 C ATOM 118 CE2 TYR A 11 -0.890 -9.331 -8.778 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.142 -8.963 -9.226 1.00 0.00 C ATOM 120 OH TYR A 11 -3.172 -9.875 -9.203 1.00 0.00 O ATOM 0 H TYR A 11 2.247 -8.110 -10.229 1.00 0.00 H new ATOM 0 HA TYR A 11 1.182 -5.712 -11.409 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.770 -6.347 -8.495 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.673 -5.124 -9.104 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.507 -5.778 -10.094 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.121 -8.703 -8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.347 -7.402 -10.049 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.717 -10.331 -8.409 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.847 -10.726 -8.842 1.00 0.00 H new ATOM 130 N ASP A 12 2.778 -3.871 -10.390 1.00 0.00 N ATOM 131 CA ASP A 12 3.840 -2.879 -10.271 1.00 0.00 C ATOM 132 C ASP A 12 3.984 -2.407 -8.827 1.00 0.00 C ATOM 133 O ASP A 12 5.019 -2.615 -8.196 1.00 0.00 O ATOM 134 CB ASP A 12 3.559 -1.686 -11.186 1.00 0.00 C ATOM 135 CG ASP A 12 3.478 -2.084 -12.646 1.00 0.00 C ATOM 136 OD1 ASP A 12 4.405 -2.768 -13.128 1.00 0.00 O ATOM 137 OD2 ASP A 12 2.487 -1.711 -13.308 1.00 0.00 O ATOM 0 H ASP A 12 1.835 -3.483 -10.369 1.00 0.00 H new ATOM 0 HA ASP A 12 4.776 -3.347 -10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.622 -1.216 -10.888 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.344 -0.941 -11.058 1.00 0.00 H new ATOM 142 N TRP A 13 2.938 -1.770 -8.313 1.00 0.00 N ATOM 143 CA TRP A 13 2.947 -1.267 -6.945 1.00 0.00 C ATOM 144 C TRP A 13 3.670 -2.234 -6.014 1.00 0.00 C ATOM 145 O TRP A 13 4.323 -1.819 -5.056 1.00 0.00 O ATOM 146 CB TRP A 13 1.517 -1.040 -6.452 1.00 0.00 C ATOM 147 CG TRP A 13 0.537 -2.036 -6.994 1.00 0.00 C ATOM 148 CD1 TRP A 13 -0.277 -1.878 -8.079 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.269 -3.343 -6.475 1.00 0.00 C ATOM 150 NE1 TRP A 13 -1.036 -3.008 -8.266 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.720 -3.922 -7.296 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.768 -4.082 -5.399 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.217 -5.204 -7.070 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.273 -5.353 -5.176 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.710 -5.904 -6.010 1.00 0.00 C ATOM 0 H TRP A 13 2.073 -1.590 -8.823 1.00 0.00 H new ATOM 0 HA TRP A 13 3.481 -0.317 -6.939 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.504 -1.084 -5.363 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.198 -0.037 -6.734 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.318 -0.995 -8.699 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.723 -3.144 -9.007 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.527 -3.667 -4.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.976 -5.630 -7.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.650 -5.931 -4.345 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.074 -6.901 -5.811 1.00 0.00 H new ATOM 166 N PHE A 14 3.549 -3.526 -6.300 1.00 0.00 N ATOM 167 CA PHE A 14 4.191 -4.553 -5.487 1.00 0.00 C ATOM 168 C PHE A 14 5.702 -4.344 -5.442 1.00 0.00 C ATOM 169 O PHE A 14 6.427 -4.785 -6.333 1.00 0.00 O ATOM 170 CB PHE A 14 3.873 -5.943 -6.041 1.00 0.00 C ATOM 171 CG PHE A 14 4.517 -7.058 -5.267 1.00 0.00 C ATOM 172 CD1 PHE A 14 3.962 -7.504 -4.078 1.00 0.00 C ATOM 173 CD2 PHE A 14 5.678 -7.659 -5.727 1.00 0.00 C ATOM 174 CE1 PHE A 14 4.552 -8.531 -3.363 1.00 0.00 C ATOM 175 CE2 PHE A 14 6.271 -8.685 -5.017 1.00 0.00 C ATOM 176 CZ PHE A 14 5.709 -9.120 -3.833 1.00 0.00 C ATOM 0 H PHE A 14 3.012 -3.887 -7.089 1.00 0.00 H new ATOM 0 HA PHE A 14 3.801 -4.476 -4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.793 -6.087 -6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.201 -5.995 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.058 -7.045 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.124 -7.321 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.108 -8.871 -2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.174 -9.147 -5.388 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.174 -9.920 -3.275 1.00 0.00 H new ATOM 186 N ALA A 15 6.169 -3.670 -4.397 1.00 0.00 N ATOM 187 CA ALA A 15 7.592 -3.404 -4.233 1.00 0.00 C ATOM 188 C ALA A 15 8.259 -4.482 -3.386 1.00 0.00 C ATOM 189 O ALA A 15 8.423 -4.324 -2.178 1.00 0.00 O ATOM 190 CB ALA A 15 7.804 -2.033 -3.608 1.00 0.00 C ATOM 0 H ALA A 15 5.582 -3.298 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 15 8.054 -3.417 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.872 -1.848 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.371 -1.268 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.321 -2.000 -2.631 1.00 0.00 H new ATOM 196 N GLY A 16 8.641 -5.581 -4.030 1.00 0.00 N ATOM 197 CA GLY A 16 9.284 -6.671 -3.320 1.00 0.00 C ATOM 198 C GLY A 16 10.771 -6.442 -3.132 1.00 0.00 C ATOM 199 O GLY A 16 11.337 -5.504 -3.690 1.00 0.00 O ATOM 0 H GLY A 16 8.517 -5.736 -5.031 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.812 -6.794 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.129 -7.600 -3.869 1.00 0.00 H new ATOM 203 N ASN A 17 11.405 -7.302 -2.340 1.00 0.00 N ATOM 204 CA ASN A 17 12.834 -7.188 -2.078 1.00 0.00 C ATOM 205 C ASN A 17 13.179 -5.804 -1.535 1.00 0.00 C ATOM 206 O ASN A 17 14.126 -5.165 -1.995 1.00 0.00 O ATOM 207 CB ASN A 17 13.633 -7.460 -3.355 1.00 0.00 C ATOM 208 CG ASN A 17 13.487 -8.893 -3.832 1.00 0.00 C ATOM 209 OD1 ASN A 17 13.135 -9.783 -3.059 1.00 0.00 O ATOM 210 ND2 ASN A 17 13.759 -9.120 -5.112 1.00 0.00 N ATOM 0 H ASN A 17 10.951 -8.085 -1.869 1.00 0.00 H new ATOM 0 HA ASN A 17 13.100 -7.931 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.299 -6.782 -4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 17 14.686 -7.245 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.679 -10.064 -5.491 1.00 0.00 H new ATOM 0 HD22 ASN A 17 14.048 -8.351 -5.716 1.00 0.00 H new ATOM 217 N ILE A 18 12.405 -5.350 -0.556 1.00 0.00 N ATOM 218 CA ILE A 18 12.630 -4.043 0.051 1.00 0.00 C ATOM 219 C ILE A 18 13.191 -4.181 1.461 1.00 0.00 C ATOM 220 O ILE A 18 13.339 -5.288 1.977 1.00 0.00 O ATOM 221 CB ILE A 18 11.331 -3.217 0.106 1.00 0.00 C ATOM 222 CG1 ILE A 18 10.284 -3.928 0.965 1.00 0.00 C ATOM 223 CG2 ILE A 18 10.797 -2.977 -1.299 1.00 0.00 C ATOM 224 CD1 ILE A 18 10.334 -3.536 2.425 1.00 0.00 C ATOM 0 H ILE A 18 11.617 -5.867 -0.166 1.00 0.00 H new ATOM 0 HA ILE A 18 13.355 -3.524 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 18 11.551 -2.251 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.292 -3.707 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.427 -5.005 0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.879 -2.392 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.540 -2.433 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.590 -3.934 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.564 -4.078 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.314 -3.782 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.160 -2.464 2.520 1.00 0.00 H new ATOM 236 N SER A 19 13.502 -3.047 2.083 1.00 0.00 N ATOM 237 CA SER A 19 14.048 -3.041 3.434 1.00 0.00 C ATOM 238 C SER A 19 13.416 -1.933 4.271 1.00 0.00 C ATOM 239 O SER A 19 12.759 -1.037 3.741 1.00 0.00 O ATOM 240 CB SER A 19 15.567 -2.860 3.392 1.00 0.00 C ATOM 241 OG SER A 19 15.913 -1.507 3.149 1.00 0.00 O ATOM 0 H SER A 19 13.385 -2.121 1.672 1.00 0.00 H new ATOM 0 HA SER A 19 13.816 -4.000 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.001 -3.186 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.990 -3.493 2.612 1.00 0.00 H new ATOM 0 HG SER A 19 16.384 -1.439 2.293 1.00 0.00 H new ATOM 247 N ARG A 20 13.620 -2.001 5.583 1.00 0.00 N ATOM 248 CA ARG A 20 13.069 -1.005 6.494 1.00 0.00 C ATOM 249 C ARG A 20 13.407 0.407 6.025 1.00 0.00 C ATOM 250 O ARG A 20 12.641 1.345 6.245 1.00 0.00 O ATOM 251 CB ARG A 20 13.606 -1.226 7.909 1.00 0.00 C ATOM 252 CG ARG A 20 13.079 -2.488 8.571 1.00 0.00 C ATOM 253 CD ARG A 20 11.677 -2.285 9.122 1.00 0.00 C ATOM 254 NE ARG A 20 11.032 -3.551 9.458 1.00 0.00 N ATOM 255 CZ ARG A 20 9.727 -3.676 9.674 1.00 0.00 C ATOM 256 NH1 ARG A 20 8.933 -2.619 9.589 1.00 0.00 N ATOM 257 NH2 ARG A 20 9.215 -4.863 9.976 1.00 0.00 N ATOM 0 H ARG A 20 14.162 -2.735 6.038 1.00 0.00 H new ATOM 0 HA ARG A 20 11.985 -1.117 6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.694 -1.273 7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.345 -0.366 8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.072 -3.304 7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.749 -2.783 9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.724 -1.655 10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.072 -1.754 8.387 1.00 0.00 H new ATOM 0 HE ARG A 20 11.615 -4.385 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.323 -1.705 9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.932 -2.719 9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.823 -5.679 10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.213 -4.959 10.142 1.00 0.00 H new ATOM 271 N SER A 21 14.559 0.551 5.377 1.00 0.00 N ATOM 272 CA SER A 21 15.001 1.848 4.881 1.00 0.00 C ATOM 273 C SER A 21 14.374 2.153 3.523 1.00 0.00 C ATOM 274 O SER A 21 13.676 3.154 3.360 1.00 0.00 O ATOM 275 CB SER A 21 16.526 1.883 4.770 1.00 0.00 C ATOM 276 OG SER A 21 16.972 1.162 3.635 1.00 0.00 O ATOM 0 H SER A 21 15.203 -0.216 5.183 1.00 0.00 H new ATOM 0 HA SER A 21 14.678 2.610 5.591 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.865 2.917 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.969 1.459 5.671 1.00 0.00 H new ATOM 0 HG SER A 21 16.644 0.240 3.684 1.00 0.00 H new ATOM 282 N GLN A 22 14.628 1.282 2.553 1.00 0.00 N ATOM 283 CA GLN A 22 14.090 1.457 1.209 1.00 0.00 C ATOM 284 C GLN A 22 12.596 1.761 1.256 1.00 0.00 C ATOM 285 O GLN A 22 12.134 2.746 0.680 1.00 0.00 O ATOM 286 CB GLN A 22 14.341 0.204 0.368 1.00 0.00 C ATOM 287 CG GLN A 22 15.661 0.231 -0.385 1.00 0.00 C ATOM 288 CD GLN A 22 16.823 0.659 0.489 1.00 0.00 C ATOM 289 OE1 GLN A 22 17.203 -0.045 1.425 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.395 1.818 0.187 1.00 0.00 N ATOM 0 H GLN A 22 15.203 0.448 2.672 1.00 0.00 H new ATOM 0 HA GLN A 22 14.600 2.303 0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.321 -0.670 1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.527 0.087 -0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.863 -0.760 -0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.578 0.912 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.047 2.369 -0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.182 2.157 0.740 1.00 0.00 H new ATOM 299 N SER A 23 11.845 0.909 1.947 1.00 0.00 N ATOM 300 CA SER A 23 10.402 1.084 2.065 1.00 0.00 C ATOM 301 C SER A 23 10.038 2.565 2.117 1.00 0.00 C ATOM 302 O SER A 23 9.078 3.000 1.481 1.00 0.00 O ATOM 303 CB SER A 23 9.883 0.376 3.318 1.00 0.00 C ATOM 304 OG SER A 23 10.597 0.789 4.471 1.00 0.00 O ATOM 0 H SER A 23 12.212 0.091 2.433 1.00 0.00 H new ATOM 0 HA SER A 23 9.933 0.642 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.822 0.590 3.447 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.977 -0.703 3.195 1.00 0.00 H new ATOM 0 HG SER A 23 10.245 0.323 5.258 1.00 0.00 H new ATOM 310 N GLU A 24 10.810 3.333 2.878 1.00 0.00 N ATOM 311 CA GLU A 24 10.569 4.764 3.013 1.00 0.00 C ATOM 312 C GLU A 24 11.349 5.549 1.963 1.00 0.00 C ATOM 313 O GLU A 24 10.768 6.285 1.166 1.00 0.00 O ATOM 314 CB GLU A 24 10.957 5.239 4.415 1.00 0.00 C ATOM 315 CG GLU A 24 9.872 5.016 5.456 1.00 0.00 C ATOM 316 CD GLU A 24 10.033 5.911 6.668 1.00 0.00 C ATOM 317 OE1 GLU A 24 10.436 7.080 6.493 1.00 0.00 O ATOM 318 OE2 GLU A 24 9.757 5.443 7.792 1.00 0.00 O ATOM 0 H GLU A 24 11.608 2.988 3.411 1.00 0.00 H new ATOM 0 HA GLU A 24 9.505 4.943 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.862 4.718 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.198 6.301 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.897 5.196 5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.888 3.974 5.774 1.00 0.00 H new ATOM 325 N GLN A 25 12.668 5.387 1.972 1.00 0.00 N ATOM 326 CA GLN A 25 13.529 6.082 1.022 1.00 0.00 C ATOM 327 C GLN A 25 12.919 6.068 -0.376 1.00 0.00 C ATOM 328 O GLN A 25 12.621 7.118 -0.945 1.00 0.00 O ATOM 329 CB GLN A 25 14.916 5.438 0.992 1.00 0.00 C ATOM 330 CG GLN A 25 15.870 6.092 0.005 1.00 0.00 C ATOM 331 CD GLN A 25 17.325 5.856 0.357 1.00 0.00 C ATOM 332 OE1 GLN A 25 17.830 4.738 0.249 1.00 0.00 O ATOM 333 NE2 GLN A 25 18.011 6.912 0.781 1.00 0.00 N ATOM 0 H GLN A 25 13.164 4.781 2.626 1.00 0.00 H new ATOM 0 HA GLN A 25 13.624 7.118 1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.351 5.485 1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.812 4.383 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.674 5.704 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 25 15.677 7.164 -0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 25 17.554 7.821 0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 25 18.995 6.814 1.032 1.00 0.00 H new ATOM 342 N LEU A 26 12.738 4.871 -0.924 1.00 0.00 N ATOM 343 CA LEU A 26 12.162 4.721 -2.257 1.00 0.00 C ATOM 344 C LEU A 26 10.959 5.639 -2.439 1.00 0.00 C ATOM 345 O LEU A 26 10.980 6.552 -3.265 1.00 0.00 O ATOM 346 CB LEU A 26 11.750 3.267 -2.494 1.00 0.00 C ATOM 347 CG LEU A 26 12.872 2.230 -2.421 1.00 0.00 C ATOM 348 CD1 LEU A 26 12.295 0.823 -2.365 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.811 2.376 -3.609 1.00 0.00 C ATOM 0 H LEU A 26 12.981 3.992 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 26 12.921 5.002 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.989 3.002 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.283 3.198 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 26 13.443 2.404 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.108 0.098 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.664 0.724 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.700 0.638 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.603 1.630 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.253 2.229 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.251 3.373 -3.605 1.00 0.00 H new ATOM 361 N LEU A 27 9.911 5.393 -1.659 1.00 0.00 N ATOM 362 CA LEU A 27 8.698 6.200 -1.733 1.00 0.00 C ATOM 363 C LEU A 27 9.036 7.680 -1.876 1.00 0.00 C ATOM 364 O LEU A 27 8.491 8.372 -2.737 1.00 0.00 O ATOM 365 CB LEU A 27 7.840 5.979 -0.486 1.00 0.00 C ATOM 366 CG LEU A 27 7.008 4.697 -0.462 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.293 4.549 0.873 1.00 0.00 C ATOM 368 CD2 LEU A 27 6.008 4.689 -1.608 1.00 0.00 C ATOM 0 H LEU A 27 9.877 4.642 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 27 8.136 5.889 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.495 5.980 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.165 6.828 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 27 7.680 3.848 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.706 3.631 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.028 4.508 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.632 5.402 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.424 3.769 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.341 5.546 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.541 4.747 -2.557 1.00 0.00 H new ATOM 380 N ARG A 28 9.940 8.160 -1.028 1.00 0.00 N ATOM 381 CA ARG A 28 10.351 9.558 -1.061 1.00 0.00 C ATOM 382 C ARG A 28 11.066 9.884 -2.369 1.00 0.00 C ATOM 383 O ARG A 28 10.923 10.981 -2.908 1.00 0.00 O ATOM 384 CB ARG A 28 11.267 9.871 0.124 1.00 0.00 C ATOM 385 CG ARG A 28 10.602 9.675 1.476 1.00 0.00 C ATOM 386 CD ARG A 28 11.619 9.335 2.554 1.00 0.00 C ATOM 387 NE ARG A 28 12.440 10.487 2.915 1.00 0.00 N ATOM 388 CZ ARG A 28 13.066 10.608 4.080 1.00 0.00 C ATOM 389 NH1 ARG A 28 12.966 9.650 4.993 1.00 0.00 N ATOM 390 NH2 ARG A 28 13.795 11.687 4.335 1.00 0.00 N ATOM 0 H ARG A 28 10.401 7.601 -0.310 1.00 0.00 H new ATOM 0 HA ARG A 28 9.455 10.175 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.150 9.235 0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.611 10.902 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.066 10.582 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.863 8.877 1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.100 8.968 3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.262 8.527 2.204 1.00 0.00 H new ATOM 0 HE ARG A 28 12.538 11.241 2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.407 8.818 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.448 9.745 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.875 12.425 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.275 11.778 5.230 1.00 0.00 H new ATOM 404 N GLN A 29 11.834 8.924 -2.872 1.00 0.00 N ATOM 405 CA GLN A 29 12.572 9.110 -4.117 1.00 0.00 C ATOM 406 C GLN A 29 11.632 9.075 -5.317 1.00 0.00 C ATOM 407 O GLN A 29 11.944 9.611 -6.380 1.00 0.00 O ATOM 408 CB GLN A 29 13.645 8.030 -4.264 1.00 0.00 C ATOM 409 CG GLN A 29 14.959 8.381 -3.584 1.00 0.00 C ATOM 410 CD GLN A 29 15.403 9.802 -3.872 1.00 0.00 C ATOM 411 OE1 GLN A 29 15.926 10.096 -4.947 1.00 0.00 O ATOM 412 NE2 GLN A 29 15.197 10.693 -2.908 1.00 0.00 N ATOM 0 H GLN A 29 11.962 8.010 -2.438 1.00 0.00 H new ATOM 0 HA GLN A 29 13.052 10.088 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.268 7.096 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.829 7.855 -5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.853 8.248 -2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.732 7.688 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.760 10.405 -2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.476 11.665 -3.044 1.00 0.00 H new ATOM 421 N LYS A 30 10.477 8.441 -5.141 1.00 0.00 N ATOM 422 CA LYS A 30 9.490 8.336 -6.208 1.00 0.00 C ATOM 423 C LYS A 30 9.361 9.657 -6.960 1.00 0.00 C ATOM 424 O LYS A 30 9.373 9.685 -8.190 1.00 0.00 O ATOM 425 CB LYS A 30 8.130 7.928 -5.636 1.00 0.00 C ATOM 426 CG LYS A 30 7.240 7.211 -6.635 1.00 0.00 C ATOM 427 CD LYS A 30 6.945 8.082 -7.844 1.00 0.00 C ATOM 428 CE LYS A 30 5.628 7.697 -8.501 1.00 0.00 C ATOM 429 NZ LYS A 30 4.462 8.016 -7.632 1.00 0.00 N ATOM 0 H LYS A 30 10.202 7.992 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 30 9.827 7.570 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.288 7.281 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.614 8.819 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.724 6.289 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.305 6.928 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.909 9.128 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.755 7.988 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.528 8.223 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.632 6.631 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.987 7.135 -7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.789 8.518 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.794 8.618 -8.154 1.00 0.00 H new ATOM 443 N GLY A 31 9.237 10.749 -6.213 1.00 0.00 N ATOM 444 CA GLY A 31 9.108 12.058 -6.828 1.00 0.00 C ATOM 445 C GLY A 31 7.669 12.528 -6.894 1.00 0.00 C ATOM 446 O GLY A 31 7.401 13.693 -7.192 1.00 0.00 O ATOM 0 H GLY A 31 9.223 10.751 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.698 12.781 -6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.523 12.025 -7.835 1.00 0.00 H new ATOM 450 N LYS A 32 6.738 11.621 -6.618 1.00 0.00 N ATOM 451 CA LYS A 32 5.317 11.948 -6.648 1.00 0.00 C ATOM 452 C LYS A 32 4.645 11.575 -5.331 1.00 0.00 C ATOM 453 O LYS A 32 4.409 10.398 -5.056 1.00 0.00 O ATOM 454 CB LYS A 32 4.631 11.222 -7.808 1.00 0.00 C ATOM 455 CG LYS A 32 4.766 11.940 -9.139 1.00 0.00 C ATOM 456 CD LYS A 32 3.911 11.287 -10.213 1.00 0.00 C ATOM 457 CE LYS A 32 4.353 11.706 -11.607 1.00 0.00 C ATOM 458 NZ LYS A 32 3.906 10.736 -12.645 1.00 0.00 N ATOM 0 H LYS A 32 6.942 10.653 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 32 5.219 13.024 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.053 10.221 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.573 11.101 -7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.472 12.983 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.810 11.936 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.974 10.203 -10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.866 11.560 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.950 12.693 -11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.439 11.791 -11.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.227 11.057 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.311 9.800 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.868 10.673 -12.637 1.00 0.00 H new ATOM 472 N GLU A 33 4.339 12.583 -4.521 1.00 0.00 N ATOM 473 CA GLU A 33 3.693 12.358 -3.233 1.00 0.00 C ATOM 474 C GLU A 33 2.521 11.391 -3.374 1.00 0.00 C ATOM 475 O GLU A 33 2.122 11.038 -4.483 1.00 0.00 O ATOM 476 CB GLU A 33 3.205 13.684 -2.644 1.00 0.00 C ATOM 477 CG GLU A 33 2.124 14.357 -3.471 1.00 0.00 C ATOM 478 CD GLU A 33 1.194 15.212 -2.632 1.00 0.00 C ATOM 479 OE1 GLU A 33 0.190 14.671 -2.122 1.00 0.00 O ATOM 480 OE2 GLU A 33 1.471 16.420 -2.485 1.00 0.00 O ATOM 0 H GLU A 33 4.528 13.563 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 33 4.427 11.917 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.823 13.506 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.052 14.363 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.591 14.978 -4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.542 13.595 -3.990 1.00 0.00 H new ATOM 487 N GLY A 34 1.974 10.964 -2.239 1.00 0.00 N ATOM 488 CA GLY A 34 0.854 10.041 -2.257 1.00 0.00 C ATOM 489 C GLY A 34 1.219 8.699 -2.859 1.00 0.00 C ATOM 490 O GLY A 34 0.358 7.840 -3.046 1.00 0.00 O ATOM 0 H GLY A 34 2.287 11.241 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.493 9.893 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.034 10.480 -2.826 1.00 0.00 H new ATOM 494 N ALA A 35 2.500 8.517 -3.164 1.00 0.00 N ATOM 495 CA ALA A 35 2.976 7.269 -3.748 1.00 0.00 C ATOM 496 C ALA A 35 2.759 6.099 -2.795 1.00 0.00 C ATOM 497 O ALA A 35 3.145 6.156 -1.627 1.00 0.00 O ATOM 498 CB ALA A 35 4.448 7.387 -4.115 1.00 0.00 C ATOM 0 H ALA A 35 3.226 9.218 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 35 2.401 7.077 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.791 6.448 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.579 8.192 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.030 7.606 -3.220 1.00 0.00 H new ATOM 504 N PHE A 36 2.139 5.038 -3.301 1.00 0.00 N ATOM 505 CA PHE A 36 1.869 3.853 -2.494 1.00 0.00 C ATOM 506 C PHE A 36 2.597 2.635 -3.054 1.00 0.00 C ATOM 507 O PHE A 36 3.010 2.625 -4.213 1.00 0.00 O ATOM 508 CB PHE A 36 0.364 3.582 -2.436 1.00 0.00 C ATOM 509 CG PHE A 36 -0.130 2.710 -3.554 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.363 3.241 -4.813 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.362 1.360 -3.348 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.820 2.440 -5.843 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.817 0.555 -4.374 1.00 0.00 C ATOM 514 CZ PHE A 36 -1.045 1.096 -5.624 1.00 0.00 C ATOM 0 H PHE A 36 1.814 4.974 -4.266 1.00 0.00 H new ATOM 0 HA PHE A 36 2.236 4.040 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.124 3.109 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.170 4.532 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.186 4.291 -4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.185 0.931 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.001 2.866 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.994 -0.496 -4.199 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.399 0.469 -6.429 1.00 0.00 H new ATOM 524 N MET A 37 2.749 1.610 -2.223 1.00 0.00 N ATOM 525 CA MET A 37 3.426 0.386 -2.636 1.00 0.00 C ATOM 526 C MET A 37 2.968 -0.799 -1.793 1.00 0.00 C ATOM 527 O MET A 37 2.071 -0.672 -0.959 1.00 0.00 O ATOM 528 CB MET A 37 4.942 0.553 -2.521 1.00 0.00 C ATOM 529 CG MET A 37 5.439 0.621 -1.086 1.00 0.00 C ATOM 530 SD MET A 37 7.124 0.005 -0.904 1.00 0.00 S ATOM 531 CE MET A 37 7.959 0.918 -2.199 1.00 0.00 C ATOM 0 H MET A 37 2.413 1.602 -1.260 1.00 0.00 H new ATOM 0 HA MET A 37 3.167 0.190 -3.677 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.430 -0.280 -3.027 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.240 1.462 -3.043 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.394 1.653 -0.739 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.773 0.041 -0.447 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.021 0.672 -2.191 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.532 0.651 -3.166 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.833 1.987 -2.030 1.00 0.00 H new ATOM 541 N VAL A 38 3.589 -1.954 -2.014 1.00 0.00 N ATOM 542 CA VAL A 38 3.245 -3.162 -1.275 1.00 0.00 C ATOM 543 C VAL A 38 4.446 -4.094 -1.156 1.00 0.00 C ATOM 544 O VAL A 38 4.932 -4.626 -2.154 1.00 0.00 O ATOM 545 CB VAL A 38 2.084 -3.920 -1.945 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.655 -5.104 -1.092 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.914 -2.983 -2.201 1.00 0.00 C ATOM 0 H VAL A 38 4.334 -2.078 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 38 2.934 -2.846 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 38 2.429 -4.303 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.834 -5.627 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.496 -5.786 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.327 -4.749 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.102 -3.535 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.566 -2.568 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.233 -2.173 -2.857 1.00 0.00 H new ATOM 557 N ARG A 39 4.919 -4.287 0.071 1.00 0.00 N ATOM 558 CA ARG A 39 6.064 -5.154 0.320 1.00 0.00 C ATOM 559 C ARG A 39 5.609 -6.538 0.774 1.00 0.00 C ATOM 560 O ARG A 39 4.412 -6.804 0.885 1.00 0.00 O ATOM 561 CB ARG A 39 6.979 -4.535 1.378 1.00 0.00 C ATOM 562 CG ARG A 39 6.294 -4.298 2.714 1.00 0.00 C ATOM 563 CD ARG A 39 7.176 -3.495 3.657 1.00 0.00 C ATOM 564 NE ARG A 39 8.024 -4.356 4.479 1.00 0.00 N ATOM 565 CZ ARG A 39 8.643 -3.942 5.578 1.00 0.00 C ATOM 566 NH1 ARG A 39 8.510 -2.688 5.987 1.00 0.00 N ATOM 567 NH2 ARG A 39 9.398 -4.785 6.272 1.00 0.00 N ATOM 0 H ARG A 39 4.527 -3.855 0.908 1.00 0.00 H new ATOM 0 HA ARG A 39 6.618 -5.259 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.838 -5.189 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.363 -3.586 1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.355 -3.769 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.047 -5.256 3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.802 -2.816 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.550 -2.879 4.303 1.00 0.00 H new ATOM 0 HE ARG A 39 8.147 -5.327 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.930 -2.037 5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.987 -2.374 6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.502 -5.751 5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.874 -4.467 7.116 1.00 0.00 H new ATOM 581 N ASN A 40 6.571 -7.417 1.036 1.00 0.00 N ATOM 582 CA ASN A 40 6.269 -8.774 1.476 1.00 0.00 C ATOM 583 C ASN A 40 6.764 -9.006 2.901 1.00 0.00 C ATOM 584 O ASN A 40 7.859 -8.578 3.265 1.00 0.00 O ATOM 585 CB ASN A 40 6.906 -9.793 0.530 1.00 0.00 C ATOM 586 CG ASN A 40 8.390 -9.549 0.331 1.00 0.00 C ATOM 587 OD1 ASN A 40 8.791 -8.568 -0.295 1.00 0.00 O ATOM 588 ND2 ASN A 40 9.213 -10.443 0.865 1.00 0.00 N ATOM 0 H ASN A 40 7.567 -7.213 0.951 1.00 0.00 H new ATOM 0 HA ASN A 40 5.187 -8.902 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.756 -10.797 0.927 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.401 -9.753 -0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.222 -10.332 0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.837 -11.241 1.376 1.00 0.00 H new ATOM 595 N SER A 41 5.949 -9.686 3.701 1.00 0.00 N ATOM 596 CA SER A 41 6.303 -9.973 5.086 1.00 0.00 C ATOM 597 C SER A 41 7.393 -11.038 5.159 1.00 0.00 C ATOM 598 O SER A 41 7.920 -11.474 4.136 1.00 0.00 O ATOM 599 CB SER A 41 5.069 -10.435 5.865 1.00 0.00 C ATOM 600 OG SER A 41 5.308 -10.406 7.261 1.00 0.00 O ATOM 0 H SER A 41 5.040 -10.048 3.414 1.00 0.00 H new ATOM 0 HA SER A 41 6.685 -9.056 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.222 -9.793 5.624 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.800 -11.446 5.560 1.00 0.00 H new ATOM 0 HG SER A 41 4.579 -9.927 7.708 1.00 0.00 H new ATOM 606 N SER A 42 7.725 -11.453 6.378 1.00 0.00 N ATOM 607 CA SER A 42 8.755 -12.465 6.586 1.00 0.00 C ATOM 608 C SER A 42 8.246 -13.847 6.191 1.00 0.00 C ATOM 609 O SER A 42 8.125 -14.738 7.032 1.00 0.00 O ATOM 610 CB SER A 42 9.203 -12.472 8.049 1.00 0.00 C ATOM 611 OG SER A 42 8.108 -12.709 8.917 1.00 0.00 O ATOM 0 H SER A 42 7.296 -11.105 7.235 1.00 0.00 H new ATOM 0 HA SER A 42 9.607 -12.217 5.953 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.961 -13.241 8.197 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.666 -11.516 8.295 1.00 0.00 H new ATOM 0 HG SER A 42 8.421 -12.710 9.846 1.00 0.00 H new ATOM 617 N GLN A 43 7.951 -14.018 4.908 1.00 0.00 N ATOM 618 CA GLN A 43 7.453 -15.292 4.400 1.00 0.00 C ATOM 619 C GLN A 43 6.521 -15.952 5.410 1.00 0.00 C ATOM 620 O GLN A 43 6.610 -17.155 5.659 1.00 0.00 O ATOM 621 CB GLN A 43 8.621 -16.227 4.079 1.00 0.00 C ATOM 622 CG GLN A 43 9.700 -16.243 5.150 1.00 0.00 C ATOM 623 CD GLN A 43 10.917 -17.047 4.739 1.00 0.00 C ATOM 624 OE1 GLN A 43 10.879 -17.798 3.763 1.00 0.00 O ATOM 625 NE2 GLN A 43 12.007 -16.894 5.482 1.00 0.00 N ATOM 0 H GLN A 43 8.048 -13.291 4.200 1.00 0.00 H new ATOM 0 HA GLN A 43 6.891 -15.097 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.239 -17.239 3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.066 -15.926 3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.003 -15.219 5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.288 -16.659 6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.994 -16.261 6.282 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.857 -17.409 5.253 1.00 0.00 H new ATOM 634 N VAL A 44 5.626 -15.158 5.990 1.00 0.00 N ATOM 635 CA VAL A 44 4.676 -15.666 6.972 1.00 0.00 C ATOM 636 C VAL A 44 3.246 -15.281 6.605 1.00 0.00 C ATOM 637 O VAL A 44 2.550 -14.628 7.381 1.00 0.00 O ATOM 638 CB VAL A 44 4.991 -15.137 8.385 1.00 0.00 C ATOM 639 CG1 VAL A 44 3.924 -15.584 9.373 1.00 0.00 C ATOM 640 CG2 VAL A 44 6.370 -15.601 8.830 1.00 0.00 C ATOM 0 H VAL A 44 5.539 -14.160 5.796 1.00 0.00 H new ATOM 0 HA VAL A 44 4.769 -16.752 6.969 1.00 0.00 H new ATOM 0 HB VAL A 44 4.990 -14.047 8.356 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.163 -15.201 10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.954 -15.199 9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.889 -16.673 9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.577 -15.219 9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.400 -16.690 8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.122 -15.226 8.135 1.00 0.00 H new ATOM 650 N GLY A 45 2.816 -15.692 5.416 1.00 0.00 N ATOM 651 CA GLY A 45 1.472 -15.381 4.966 1.00 0.00 C ATOM 652 C GLY A 45 1.017 -14.004 5.406 1.00 0.00 C ATOM 653 O GLY A 45 -0.165 -13.788 5.669 1.00 0.00 O ATOM 0 H GLY A 45 3.374 -16.234 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.433 -15.443 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.780 -16.129 5.353 1.00 0.00 H new ATOM 657 N MET A 46 1.959 -13.069 5.488 1.00 0.00 N ATOM 658 CA MET A 46 1.648 -11.706 5.899 1.00 0.00 C ATOM 659 C MET A 46 2.183 -10.697 4.888 1.00 0.00 C ATOM 660 O MET A 46 3.076 -11.009 4.098 1.00 0.00 O ATOM 661 CB MET A 46 2.237 -11.420 7.282 1.00 0.00 C ATOM 662 CG MET A 46 1.489 -12.104 8.415 1.00 0.00 C ATOM 663 SD MET A 46 0.143 -11.096 9.065 1.00 0.00 S ATOM 664 CE MET A 46 -1.218 -11.642 8.036 1.00 0.00 C ATOM 0 H MET A 46 2.943 -13.231 5.275 1.00 0.00 H new ATOM 0 HA MET A 46 0.564 -11.607 5.946 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.278 -11.743 7.298 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.234 -10.344 7.453 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.088 -13.053 8.060 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.187 -12.334 9.220 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.146 -11.595 8.605 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.295 -10.995 7.162 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.042 -12.668 7.714 1.00 0.00 H new ATOM 674 N TYR A 47 1.634 -9.487 4.917 1.00 0.00 N ATOM 675 CA TYR A 47 2.055 -8.434 4.001 1.00 0.00 C ATOM 676 C TYR A 47 2.047 -7.075 4.693 1.00 0.00 C ATOM 677 O TYR A 47 1.722 -6.969 5.876 1.00 0.00 O ATOM 678 CB TYR A 47 1.139 -8.400 2.775 1.00 0.00 C ATOM 679 CG TYR A 47 1.345 -9.564 1.833 1.00 0.00 C ATOM 680 CD1 TYR A 47 2.348 -9.536 0.872 1.00 0.00 C ATOM 681 CD2 TYR A 47 0.537 -10.692 1.904 1.00 0.00 C ATOM 682 CE1 TYR A 47 2.539 -10.598 0.008 1.00 0.00 C ATOM 683 CE2 TYR A 47 0.722 -11.758 1.046 1.00 0.00 C ATOM 684 CZ TYR A 47 1.725 -11.707 0.099 1.00 0.00 C ATOM 685 OH TYR A 47 1.911 -12.766 -0.759 1.00 0.00 O ATOM 0 H TYR A 47 0.896 -9.212 5.565 1.00 0.00 H new ATOM 0 HA TYR A 47 3.074 -8.652 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.101 -8.392 3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.307 -7.470 2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.989 -8.670 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.249 -10.736 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.322 -10.559 -0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.085 -12.627 1.116 1.00 0.00 H new ATOM 0 HH TYR A 47 1.255 -13.467 -0.561 1.00 0.00 H new ATOM 695 N THR A 48 2.408 -6.036 3.946 1.00 0.00 N ATOM 696 CA THR A 48 2.444 -4.683 4.486 1.00 0.00 C ATOM 697 C THR A 48 2.293 -3.645 3.380 1.00 0.00 C ATOM 698 O THR A 48 3.198 -3.453 2.567 1.00 0.00 O ATOM 699 CB THR A 48 3.755 -4.417 5.248 1.00 0.00 C ATOM 700 OG1 THR A 48 3.924 -5.389 6.286 1.00 0.00 O ATOM 701 CG2 THR A 48 3.757 -3.020 5.850 1.00 0.00 C ATOM 0 H THR A 48 2.680 -6.106 2.965 1.00 0.00 H new ATOM 0 HA THR A 48 1.606 -4.597 5.178 1.00 0.00 H new ATOM 0 HB THR A 48 4.582 -4.492 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.761 -5.214 6.765 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.693 -2.855 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.657 -2.281 5.055 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.922 -2.922 6.544 1.00 0.00 H new ATOM 709 N VAL A 49 1.143 -2.977 3.353 1.00 0.00 N ATOM 710 CA VAL A 49 0.875 -1.957 2.348 1.00 0.00 C ATOM 711 C VAL A 49 1.329 -0.582 2.824 1.00 0.00 C ATOM 712 O VAL A 49 0.599 0.115 3.529 1.00 0.00 O ATOM 713 CB VAL A 49 -0.623 -1.896 1.995 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.910 -0.716 1.080 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.071 -3.200 1.353 1.00 0.00 C ATOM 0 H VAL A 49 0.383 -3.125 4.017 1.00 0.00 H new ATOM 0 HA VAL A 49 1.440 -2.235 1.458 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.190 -1.756 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.973 -0.690 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.628 0.210 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.335 -0.821 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.132 -3.140 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.499 -3.372 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.904 -4.024 2.047 1.00 0.00 H new ATOM 725 N SER A 50 2.540 -0.197 2.433 1.00 0.00 N ATOM 726 CA SER A 50 3.095 1.095 2.823 1.00 0.00 C ATOM 727 C SER A 50 2.895 2.127 1.717 1.00 0.00 C ATOM 728 O SER A 50 2.871 1.790 0.533 1.00 0.00 O ATOM 729 CB SER A 50 4.584 0.957 3.146 1.00 0.00 C ATOM 730 OG SER A 50 4.835 -0.212 3.904 1.00 0.00 O ATOM 0 H SER A 50 3.156 -0.761 1.847 1.00 0.00 H new ATOM 0 HA SER A 50 2.568 1.436 3.714 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.159 0.924 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.922 1.833 3.700 1.00 0.00 H new ATOM 0 HG SER A 50 5.794 -0.278 4.096 1.00 0.00 H new ATOM 736 N LEU A 51 2.751 3.387 2.114 1.00 0.00 N ATOM 737 CA LEU A 51 2.553 4.471 1.158 1.00 0.00 C ATOM 738 C LEU A 51 2.958 5.812 1.764 1.00 0.00 C ATOM 739 O LEU A 51 2.687 6.084 2.934 1.00 0.00 O ATOM 740 CB LEU A 51 1.092 4.522 0.710 1.00 0.00 C ATOM 741 CG LEU A 51 0.112 5.175 1.686 1.00 0.00 C ATOM 742 CD1 LEU A 51 0.187 6.691 1.583 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.306 4.689 1.423 1.00 0.00 C ATOM 0 H LEU A 51 2.768 3.683 3.090 1.00 0.00 H new ATOM 0 HA LEU A 51 3.186 4.278 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.042 5.059 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.756 3.503 0.517 1.00 0.00 H new ATOM 0 HG LEU A 51 0.391 4.886 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.517 7.139 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.198 7.022 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.066 7.000 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.990 5.164 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.596 4.947 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.349 3.607 1.549 1.00 0.00 H new ATOM 755 N PHE A 52 3.606 6.647 0.958 1.00 0.00 N ATOM 756 CA PHE A 52 4.048 7.960 1.415 1.00 0.00 C ATOM 757 C PHE A 52 3.000 9.025 1.100 1.00 0.00 C ATOM 758 O PHE A 52 2.155 8.840 0.225 1.00 0.00 O ATOM 759 CB PHE A 52 5.380 8.330 0.760 1.00 0.00 C ATOM 760 CG PHE A 52 5.782 9.760 0.983 1.00 0.00 C ATOM 761 CD1 PHE A 52 6.125 10.208 2.248 1.00 0.00 C ATOM 762 CD2 PHE A 52 5.815 10.656 -0.073 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.495 11.523 2.456 1.00 0.00 C ATOM 764 CE2 PHE A 52 6.184 11.973 0.129 1.00 0.00 C ATOM 765 CZ PHE A 52 6.524 12.407 1.396 1.00 0.00 C ATOM 0 H PHE A 52 3.836 6.438 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 52 4.183 7.915 2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.161 7.677 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.313 8.143 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.103 9.522 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.550 10.322 -1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.761 11.859 3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.206 12.662 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.812 13.435 1.557 1.00 0.00 H new ATOM 775 N SER A 53 3.065 10.140 1.820 1.00 0.00 N ATOM 776 CA SER A 53 2.122 11.234 1.622 1.00 0.00 C ATOM 777 C SER A 53 2.599 12.499 2.327 1.00 0.00 C ATOM 778 O SER A 53 3.451 12.445 3.216 1.00 0.00 O ATOM 779 CB SER A 53 0.737 10.840 2.140 1.00 0.00 C ATOM 780 OG SER A 53 -0.204 11.878 1.920 1.00 0.00 O ATOM 0 H SER A 53 3.761 10.310 2.546 1.00 0.00 H new ATOM 0 HA SER A 53 2.060 11.437 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.403 9.931 1.640 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.794 10.616 3.205 1.00 0.00 H new ATOM 0 HG SER A 53 -1.081 11.601 2.258 1.00 0.00 H new ATOM 786 N LYS A 54 2.047 13.638 1.925 1.00 0.00 N ATOM 787 CA LYS A 54 2.414 14.919 2.517 1.00 0.00 C ATOM 788 C LYS A 54 1.184 15.800 2.715 1.00 0.00 C ATOM 789 O LYS A 54 0.178 15.640 2.026 1.00 0.00 O ATOM 790 CB LYS A 54 3.433 15.641 1.633 1.00 0.00 C ATOM 791 CG LYS A 54 4.260 16.676 2.376 1.00 0.00 C ATOM 792 CD LYS A 54 5.609 16.894 1.712 1.00 0.00 C ATOM 793 CE LYS A 54 6.174 18.268 2.038 1.00 0.00 C ATOM 794 NZ LYS A 54 7.488 18.498 1.373 1.00 0.00 N ATOM 0 H LYS A 54 1.342 13.700 1.190 1.00 0.00 H new ATOM 0 HA LYS A 54 2.861 14.724 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.103 14.904 1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.908 16.129 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.715 17.619 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.409 16.353 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.307 16.125 2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.506 16.789 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.468 19.036 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.291 18.366 3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.841 19.445 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.169 17.781 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.372 18.429 0.342 1.00 0.00 H new ATOM 808 N ALA A 55 1.274 16.730 3.661 1.00 0.00 N ATOM 809 CA ALA A 55 0.170 17.638 3.946 1.00 0.00 C ATOM 810 C ALA A 55 0.056 18.717 2.876 1.00 0.00 C ATOM 811 O ALA A 55 0.774 18.693 1.877 1.00 0.00 O ATOM 812 CB ALA A 55 0.348 18.269 5.318 1.00 0.00 C ATOM 0 H ALA A 55 2.100 16.874 4.242 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.754 17.060 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.483 18.945 5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.371 17.488 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.284 18.827 5.343 1.00 0.00 H new ATOM 818 N VAL A 56 -0.852 19.664 3.090 1.00 0.00 N ATOM 819 CA VAL A 56 -1.060 20.753 2.144 1.00 0.00 C ATOM 820 C VAL A 56 0.086 21.756 2.200 1.00 0.00 C ATOM 821 O VAL A 56 0.064 22.695 2.996 1.00 0.00 O ATOM 822 CB VAL A 56 -2.386 21.488 2.417 1.00 0.00 C ATOM 823 CG1 VAL A 56 -2.590 22.612 1.412 1.00 0.00 C ATOM 824 CG2 VAL A 56 -3.552 20.513 2.383 1.00 0.00 C ATOM 0 H VAL A 56 -1.456 19.699 3.911 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.099 20.306 1.151 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.339 21.928 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.532 23.120 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.768 23.324 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.616 22.198 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.481 21.049 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.604 20.042 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.408 19.747 3.145 1.00 0.00 H new ATOM 834 N ASN A 57 1.087 21.552 1.350 1.00 0.00 N ATOM 835 CA ASN A 57 2.243 22.440 1.304 1.00 0.00 C ATOM 836 C ASN A 57 2.938 22.500 2.661 1.00 0.00 C ATOM 837 O ASN A 57 3.251 23.579 3.161 1.00 0.00 O ATOM 838 CB ASN A 57 1.817 23.845 0.873 1.00 0.00 C ATOM 839 CG ASN A 57 1.690 23.976 -0.632 1.00 0.00 C ATOM 840 OD1 ASN A 57 0.589 24.130 -1.162 1.00 0.00 O ATOM 841 ND2 ASN A 57 2.819 23.914 -1.328 1.00 0.00 N ATOM 0 H ASN A 57 1.121 20.780 0.684 1.00 0.00 H new ATOM 0 HA ASN A 57 2.947 22.041 0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.862 24.090 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.545 24.570 1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.797 23.995 -2.345 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.709 23.785 -0.846 1.00 0.00 H new ATOM 848 N ASP A 58 3.177 21.333 3.248 1.00 0.00 N ATOM 849 CA ASP A 58 3.837 21.251 4.547 1.00 0.00 C ATOM 850 C ASP A 58 5.349 21.141 4.381 1.00 0.00 C ATOM 851 O ASP A 58 5.855 21.014 3.266 1.00 0.00 O ATOM 852 CB ASP A 58 3.309 20.053 5.336 1.00 0.00 C ATOM 853 CG ASP A 58 2.103 20.405 6.185 1.00 0.00 C ATOM 854 OD1 ASP A 58 1.429 21.410 5.873 1.00 0.00 O ATOM 855 OD2 ASP A 58 1.831 19.674 7.160 1.00 0.00 O ATOM 0 H ASP A 58 2.924 20.430 2.846 1.00 0.00 H new ATOM 0 HA ASP A 58 3.616 22.165 5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.042 19.255 4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.101 19.667 5.977 1.00 0.00 H new ATOM 860 N LYS A 59 6.066 21.193 5.498 1.00 0.00 N ATOM 861 CA LYS A 59 7.522 21.100 5.480 1.00 0.00 C ATOM 862 C LYS A 59 7.988 19.766 6.052 1.00 0.00 C ATOM 863 O LYS A 59 9.137 19.627 6.472 1.00 0.00 O ATOM 864 CB LYS A 59 8.138 22.252 6.276 1.00 0.00 C ATOM 865 CG LYS A 59 7.605 22.366 7.694 1.00 0.00 C ATOM 866 CD LYS A 59 6.392 23.279 7.762 1.00 0.00 C ATOM 867 CE LYS A 59 6.795 24.722 8.025 1.00 0.00 C ATOM 868 NZ LYS A 59 7.092 24.961 9.465 1.00 0.00 N ATOM 0 H LYS A 59 5.662 21.299 6.429 1.00 0.00 H new ATOM 0 HA LYS A 59 7.853 21.167 4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.219 22.119 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.949 23.188 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.338 21.376 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.388 22.750 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.838 23.220 6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.722 22.938 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.672 24.969 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.993 25.387 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.363 25.956 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.247 24.750 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.874 24.345 9.765 1.00 0.00 H new ATOM 882 N LYS A 60 7.091 18.786 6.064 1.00 0.00 N ATOM 883 CA LYS A 60 7.411 17.461 6.582 1.00 0.00 C ATOM 884 C LYS A 60 6.348 16.446 6.174 1.00 0.00 C ATOM 885 O LYS A 60 5.155 16.747 6.174 1.00 0.00 O ATOM 886 CB LYS A 60 7.532 17.502 8.107 1.00 0.00 C ATOM 887 CG LYS A 60 6.203 17.692 8.818 1.00 0.00 C ATOM 888 CD LYS A 60 6.383 17.765 10.324 1.00 0.00 C ATOM 889 CE LYS A 60 6.635 16.390 10.924 1.00 0.00 C ATOM 890 NZ LYS A 60 7.103 16.477 12.335 1.00 0.00 N ATOM 0 H LYS A 60 6.136 18.885 5.721 1.00 0.00 H new ATOM 0 HA LYS A 60 8.366 17.153 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.990 16.575 8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.204 18.313 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.727 18.606 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.535 16.867 8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.218 18.424 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.493 18.203 10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.718 15.802 10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.380 15.864 10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.263 15.519 12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.991 17.017 12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.382 16.956 12.911 1.00 0.00 H new ATOM 904 N GLY A 61 6.790 15.241 5.825 1.00 0.00 N ATOM 905 CA GLY A 61 5.864 14.200 5.421 1.00 0.00 C ATOM 906 C GLY A 61 6.256 12.836 5.954 1.00 0.00 C ATOM 907 O GLY A 61 7.329 12.322 5.636 1.00 0.00 O ATOM 0 H GLY A 61 7.773 14.968 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.864 14.451 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.818 14.162 4.333 1.00 0.00 H new ATOM 911 N THR A 62 5.386 12.247 6.768 1.00 0.00 N ATOM 912 CA THR A 62 5.647 10.935 7.348 1.00 0.00 C ATOM 913 C THR A 62 4.966 9.833 6.545 1.00 0.00 C ATOM 914 O THR A 62 3.794 9.949 6.183 1.00 0.00 O ATOM 915 CB THR A 62 5.168 10.863 8.810 1.00 0.00 C ATOM 916 OG1 THR A 62 5.695 11.966 9.554 1.00 0.00 O ATOM 917 CG2 THR A 62 5.602 9.555 9.456 1.00 0.00 C ATOM 0 H THR A 62 4.493 12.658 7.041 1.00 0.00 H new ATOM 0 HA THR A 62 6.726 10.785 7.320 1.00 0.00 H new ATOM 0 HB THR A 62 4.079 10.910 8.816 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.384 11.913 10.482 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.253 9.526 10.488 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.175 8.717 8.904 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.690 9.484 9.439 1.00 0.00 H new ATOM 925 N VAL A 63 5.705 8.763 6.272 1.00 0.00 N ATOM 926 CA VAL A 63 5.171 7.639 5.513 1.00 0.00 C ATOM 927 C VAL A 63 4.195 6.823 6.354 1.00 0.00 C ATOM 928 O VAL A 63 4.429 6.581 7.538 1.00 0.00 O ATOM 929 CB VAL A 63 6.296 6.714 5.013 1.00 0.00 C ATOM 930 CG1 VAL A 63 5.715 5.497 4.309 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.238 7.473 4.090 1.00 0.00 C ATOM 0 H VAL A 63 6.675 8.651 6.565 1.00 0.00 H new ATOM 0 HA VAL A 63 4.646 8.058 4.654 1.00 0.00 H new ATOM 0 HB VAL A 63 6.867 6.367 5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.525 4.856 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.084 4.942 5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.119 5.820 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.027 6.804 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.681 7.850 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.681 8.309 4.630 1.00 0.00 H new ATOM 941 N LYS A 64 3.098 6.401 5.733 1.00 0.00 N ATOM 942 CA LYS A 64 2.085 5.611 6.423 1.00 0.00 C ATOM 943 C LYS A 64 2.252 4.126 6.117 1.00 0.00 C ATOM 944 O LYS A 64 2.255 3.717 4.956 1.00 0.00 O ATOM 945 CB LYS A 64 0.683 6.071 6.014 1.00 0.00 C ATOM 946 CG LYS A 64 0.188 7.275 6.796 1.00 0.00 C ATOM 947 CD LYS A 64 0.735 8.573 6.228 1.00 0.00 C ATOM 948 CE LYS A 64 0.829 9.653 7.295 1.00 0.00 C ATOM 949 NZ LYS A 64 0.879 11.018 6.700 1.00 0.00 N ATOM 0 H LYS A 64 2.888 6.593 4.753 1.00 0.00 H new ATOM 0 HA LYS A 64 2.212 5.761 7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.685 6.314 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.016 5.246 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.902 7.299 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.486 7.179 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.722 8.397 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.092 8.916 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.029 9.579 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.720 9.488 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.638 11.722 7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.837 11.205 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.197 11.081 5.917 1.00 0.00 H new ATOM 963 N HIS A 65 2.390 3.322 7.167 1.00 0.00 N ATOM 964 CA HIS A 65 2.556 1.882 7.011 1.00 0.00 C ATOM 965 C HIS A 65 1.308 1.138 7.472 1.00 0.00 C ATOM 966 O HIS A 65 0.794 1.383 8.564 1.00 0.00 O ATOM 967 CB HIS A 65 3.774 1.398 7.799 1.00 0.00 C ATOM 968 CG HIS A 65 3.461 1.034 9.219 1.00 0.00 C ATOM 969 ND1 HIS A 65 2.897 1.757 10.215 1.00 0.00 N flip ATOM 970 CD2 HIS A 65 3.736 -0.205 9.756 1.00 0.00 C flip ATOM 971 CE1 HIS A 65 2.839 0.949 11.322 1.00 0.00 C flip ATOM 972 NE2 HIS A 65 3.351 -0.230 11.020 1.00 0.00 N flip ATOM 0 H HIS A 65 2.390 3.644 8.135 1.00 0.00 H new ATOM 0 HA HIS A 65 2.712 1.672 5.953 1.00 0.00 H new ATOM 0 HB2 HIS A 65 4.201 0.531 7.296 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.535 2.178 7.791 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.195 -1.027 9.227 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.439 1.231 12.285 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.435 -1.025 11.654 1.00 0.00 H new ATOM 981 N TYR A 66 0.823 0.227 6.634 1.00 0.00 N ATOM 982 CA TYR A 66 -0.368 -0.550 6.957 1.00 0.00 C ATOM 983 C TYR A 66 -0.033 -2.034 7.080 1.00 0.00 C ATOM 984 O TYR A 66 0.841 -2.545 6.378 1.00 0.00 O ATOM 985 CB TYR A 66 -1.441 -0.346 5.886 1.00 0.00 C ATOM 986 CG TYR A 66 -2.006 1.056 5.856 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.915 1.481 6.817 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.635 1.956 4.864 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.435 2.760 6.793 1.00 0.00 C ATOM 990 CE2 TYR A 66 -2.149 3.237 4.834 1.00 0.00 C ATOM 991 CZ TYR A 66 -3.049 3.635 5.800 1.00 0.00 C ATOM 992 OH TYR A 66 -3.564 4.911 5.772 1.00 0.00 O ATOM 0 H TYR A 66 1.236 0.009 5.727 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.750 -0.201 7.916 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.017 -0.579 4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.253 -1.053 6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.220 0.799 7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.933 1.648 4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.141 3.073 7.548 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.848 3.924 4.057 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.189 5.399 5.009 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.736 -2.720 7.976 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.515 -4.145 8.192 1.00 0.00 C ATOM 1004 C HIS A 67 -1.766 -4.947 7.848 1.00 0.00 C ATOM 1005 O HIS A 67 -2.727 -4.978 8.616 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.111 -4.406 9.644 1.00 0.00 C ATOM 1007 CG HIS A 67 1.358 -4.258 9.893 1.00 0.00 C ATOM 1008 ND1 HIS A 67 1.885 -3.966 11.134 1.00 0.00 N ATOM 1009 CD2 HIS A 67 2.414 -4.365 9.052 1.00 0.00 C ATOM 1010 CE1 HIS A 67 3.202 -3.898 11.044 1.00 0.00 C ATOM 1011 NE2 HIS A 67 3.548 -4.136 9.793 1.00 0.00 N ATOM 0 H HIS A 67 -1.463 -2.312 8.564 1.00 0.00 H new ATOM 0 HA HIS A 67 0.293 -4.466 7.535 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.652 -3.717 10.292 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.419 -5.414 9.922 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.372 -4.589 7.996 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.880 -3.684 11.857 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.503 -4.148 9.434 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.748 -5.594 6.686 1.00 0.00 N ATOM 1021 CA VAL A 68 -2.881 -6.395 6.240 1.00 0.00 C ATOM 1022 C VAL A 68 -3.571 -7.074 7.417 1.00 0.00 C ATOM 1023 O VAL A 68 -2.915 -7.612 8.310 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.443 -7.470 5.227 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -1.119 -8.091 5.644 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -3.519 -8.534 5.080 1.00 0.00 C ATOM 0 H VAL A 68 -0.961 -5.579 6.037 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.580 -5.713 5.757 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.302 -6.993 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.827 -8.848 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.353 -7.317 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.227 -8.554 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.192 -9.285 4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.696 -9.009 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.442 -8.072 4.729 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.900 -7.047 7.413 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.681 -7.661 8.481 1.00 0.00 C ATOM 1038 C HIS A 69 -6.532 -8.807 7.941 1.00 0.00 C ATOM 1039 O HIS A 69 -7.214 -8.663 6.926 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.574 -6.618 9.153 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.812 -5.520 9.826 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.722 -5.749 10.639 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.985 -4.178 9.801 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -4.260 -4.595 11.088 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -5.008 -3.627 10.592 1.00 0.00 N ATOM 0 H HIS A 69 -5.459 -6.606 6.682 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.988 -8.064 9.220 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.237 -6.183 8.405 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.207 -7.114 9.889 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.749 -3.641 9.259 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.415 -4.466 11.748 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.880 -2.630 10.768 1.00 0.00 H new ATOM 1054 N THR A 70 -6.487 -9.945 8.626 1.00 0.00 N ATOM 1055 CA THR A 70 -7.252 -11.116 8.215 1.00 0.00 C ATOM 1056 C THR A 70 -8.528 -11.256 9.038 1.00 0.00 C ATOM 1057 O THR A 70 -8.597 -10.794 10.176 1.00 0.00 O ATOM 1058 CB THR A 70 -6.422 -12.406 8.353 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.138 -12.230 7.743 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.139 -13.582 7.708 1.00 0.00 C ATOM 0 H THR A 70 -5.928 -10.081 9.469 1.00 0.00 H new ATOM 0 HA THR A 70 -7.513 -10.971 7.167 1.00 0.00 H new ATOM 0 HB THR A 70 -6.293 -12.618 9.415 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.616 -13.054 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.534 -14.482 7.818 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.103 -13.731 8.194 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.295 -13.377 6.649 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.536 -11.896 8.454 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.810 -12.097 9.135 1.00 0.00 C ATOM 1070 C ASN A 71 -11.007 -13.566 9.497 1.00 0.00 C ATOM 1071 O ASN A 71 -10.125 -14.394 9.275 1.00 0.00 O ATOM 1072 CB ASN A 71 -11.963 -11.619 8.252 1.00 0.00 C ATOM 1073 CG ASN A 71 -13.169 -11.181 9.062 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -13.166 -11.259 10.291 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.206 -10.715 8.375 1.00 0.00 N ATOM 0 H ASN A 71 -9.495 -12.284 7.512 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.799 -11.513 10.055 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.623 -10.788 7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.255 -12.422 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.044 -10.404 8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.164 -10.669 7.357 1.00 0.00 H new ATOM 1082 N ALA A 72 -12.171 -13.880 10.057 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.486 -15.249 10.448 1.00 0.00 C ATOM 1084 C ALA A 72 -12.447 -16.185 9.245 1.00 0.00 C ATOM 1085 O ALA A 72 -11.951 -17.308 9.338 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.850 -15.304 11.119 1.00 0.00 C ATOM 0 H ALA A 72 -12.911 -13.205 10.250 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.730 -15.582 11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.073 -16.332 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.844 -14.672 12.007 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.611 -14.948 10.425 1.00 0.00 H new ATOM 1092 N GLU A 73 -12.974 -15.717 8.119 1.00 0.00 N ATOM 1093 CA GLU A 73 -13.000 -16.515 6.898 1.00 0.00 C ATOM 1094 C GLU A 73 -11.770 -16.238 6.040 1.00 0.00 C ATOM 1095 O GLU A 73 -11.841 -16.252 4.812 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.271 -16.223 6.098 1.00 0.00 C ATOM 1097 CG GLU A 73 -15.470 -17.046 6.537 1.00 0.00 C ATOM 1098 CD GLU A 73 -16.581 -17.055 5.505 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -16.536 -17.906 4.592 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -17.495 -16.211 5.611 1.00 0.00 O ATOM 0 H GLU A 73 -13.389 -14.790 8.026 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.993 -17.567 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.514 -15.165 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.077 -16.413 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.151 -18.070 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.855 -16.648 7.476 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.642 -15.984 6.697 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.396 -15.701 5.995 1.00 0.00 C ATOM 1109 C ASN A 74 -9.591 -14.592 4.965 1.00 0.00 C ATOM 1110 O ASN A 74 -9.048 -14.650 3.862 1.00 0.00 O ATOM 1111 CB ASN A 74 -8.876 -16.966 5.306 1.00 0.00 C ATOM 1112 CG ASN A 74 -7.367 -16.962 5.153 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -6.845 -16.848 4.045 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -6.660 -17.086 6.271 1.00 0.00 N ATOM 0 H ASN A 74 -10.566 -15.969 7.714 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.663 -15.366 6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.178 -17.841 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.338 -17.057 4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.641 -17.089 6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.136 -17.178 7.168 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.369 -13.580 5.334 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.635 -12.455 4.446 1.00 0.00 C ATOM 1123 C LYS A 75 -9.729 -11.274 4.778 1.00 0.00 C ATOM 1124 O LYS A 75 -9.706 -10.795 5.912 1.00 0.00 O ATOM 1125 CB LYS A 75 -12.102 -12.031 4.551 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.047 -12.908 3.747 1.00 0.00 C ATOM 1127 CD LYS A 75 -13.161 -12.431 2.308 1.00 0.00 C ATOM 1128 CE LYS A 75 -13.880 -13.450 1.439 1.00 0.00 C ATOM 1129 NZ LYS A 75 -13.037 -14.649 1.176 1.00 0.00 N ATOM 0 H LYS A 75 -10.827 -13.516 6.243 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.428 -12.774 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.403 -12.051 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.199 -11.000 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.691 -13.938 3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.033 -12.904 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.698 -11.483 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.165 -12.245 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.804 -13.757 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.159 -12.987 0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.472 -15.221 0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.088 -14.347 0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.961 -15.217 2.044 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.984 -10.808 3.780 1.00 0.00 N ATOM 1144 CA LEU A 76 -8.078 -9.680 3.966 1.00 0.00 C ATOM 1145 C LEU A 76 -8.793 -8.357 3.715 1.00 0.00 C ATOM 1146 O LEU A 76 -9.608 -8.245 2.798 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.875 -9.808 3.028 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.277 -11.210 2.891 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.639 -11.384 1.522 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.260 -11.465 3.993 1.00 0.00 C ATOM 0 H LEU A 76 -8.990 -11.194 2.836 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.731 -9.692 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.173 -9.464 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.093 -9.134 3.378 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.080 -11.940 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.219 -12.386 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.394 -11.244 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.846 -10.647 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.845 -12.467 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.458 -10.730 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.747 -11.382 4.964 1.00 0.00 H new ATOM 1162 N TYR A 77 -8.484 -7.358 4.533 1.00 0.00 N ATOM 1163 CA TYR A 77 -9.098 -6.042 4.400 1.00 0.00 C ATOM 1164 C TYR A 77 -8.282 -4.983 5.133 1.00 0.00 C ATOM 1165 O TYR A 77 -7.869 -5.181 6.277 1.00 0.00 O ATOM 1166 CB TYR A 77 -10.528 -6.067 4.943 1.00 0.00 C ATOM 1167 CG TYR A 77 -10.608 -6.337 6.428 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.507 -5.303 7.349 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.783 -7.629 6.910 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.577 -5.546 8.708 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.857 -7.882 8.266 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.753 -6.837 9.161 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.826 -7.083 10.513 1.00 0.00 O ATOM 0 H TYR A 77 -7.811 -7.434 5.296 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.123 -5.786 3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -11.005 -5.110 4.730 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.096 -6.831 4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.371 -4.291 6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.863 -8.449 6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.494 -4.730 9.411 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.995 -8.892 8.623 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.952 -8.043 10.664 1.00 0.00 H new ATOM 1183 N LEU A 78 -8.052 -3.857 4.467 1.00 0.00 N ATOM 1184 CA LEU A 78 -7.285 -2.763 5.055 1.00 0.00 C ATOM 1185 C LEU A 78 -8.190 -1.833 5.857 1.00 0.00 C ATOM 1186 O LEU A 78 -7.815 -1.361 6.930 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.565 -1.974 3.960 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.361 -2.664 3.317 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.955 -1.946 2.038 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -4.195 -2.720 4.293 1.00 0.00 C ATOM 0 H LEU A 78 -8.385 -3.677 3.520 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.546 -3.192 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.285 -1.739 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.232 -1.026 4.382 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.644 -3.685 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.097 -2.451 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.787 -1.958 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.690 -0.914 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.347 -3.214 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.911 -1.707 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.490 -3.279 5.181 1.00 0.00 H new ATOM 1202 N ALA A 79 -9.383 -1.577 5.330 1.00 0.00 N ATOM 1203 CA ALA A 79 -10.342 -0.708 5.999 1.00 0.00 C ATOM 1204 C ALA A 79 -11.417 -1.522 6.711 1.00 0.00 C ATOM 1205 O ALA A 79 -11.903 -2.521 6.183 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.976 0.247 4.998 1.00 0.00 C ATOM 0 H ALA A 79 -9.708 -1.959 4.442 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.807 -0.127 6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.691 0.890 5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.201 0.860 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.492 -0.324 4.226 1.00 0.00 H new ATOM 1212 N GLU A 80 -11.784 -1.086 7.913 1.00 0.00 N ATOM 1213 CA GLU A 80 -12.801 -1.776 8.697 1.00 0.00 C ATOM 1214 C GLU A 80 -14.138 -1.792 7.961 1.00 0.00 C ATOM 1215 O GLU A 80 -14.382 -0.971 7.079 1.00 0.00 O ATOM 1216 CB GLU A 80 -12.966 -1.106 10.063 1.00 0.00 C ATOM 1217 CG GLU A 80 -11.678 -1.036 10.865 1.00 0.00 C ATOM 1218 CD GLU A 80 -11.863 -0.353 12.207 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -12.775 -0.760 12.957 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -11.097 0.587 12.506 1.00 0.00 O ATOM 0 H GLU A 80 -11.392 -0.259 8.364 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.474 -2.806 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.350 -0.096 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.713 -1.652 10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.298 -2.045 11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.924 -0.499 10.289 1.00 0.00 H new ATOM 1227 N ASN A 81 -14.999 -2.735 8.331 1.00 0.00 N ATOM 1228 CA ASN A 81 -16.310 -2.860 7.706 1.00 0.00 C ATOM 1229 C ASN A 81 -16.179 -3.055 6.198 1.00 0.00 C ATOM 1230 O ASN A 81 -17.077 -2.702 5.435 1.00 0.00 O ATOM 1231 CB ASN A 81 -17.157 -1.619 7.998 1.00 0.00 C ATOM 1232 CG ASN A 81 -16.911 -1.065 9.388 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -15.857 -0.492 9.662 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -17.886 -1.234 10.273 1.00 0.00 N ATOM 0 H ASN A 81 -14.812 -3.423 9.060 1.00 0.00 H new ATOM 0 HA ASN A 81 -16.803 -3.737 8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -16.936 -0.849 7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -18.212 -1.869 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -17.778 -0.882 11.224 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -18.743 -1.715 10.002 1.00 0.00 H new ATOM 1241 N TYR A 82 -15.052 -3.621 5.777 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.802 -3.862 4.361 1.00 0.00 C ATOM 1243 C TYR A 82 -14.047 -5.173 4.158 1.00 0.00 C ATOM 1244 O TYR A 82 -13.168 -5.524 4.945 1.00 0.00 O ATOM 1245 CB TYR A 82 -14.006 -2.704 3.759 1.00 0.00 C ATOM 1246 CG TYR A 82 -14.870 -1.558 3.282 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -15.562 -1.638 2.081 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -14.994 -0.396 4.034 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -16.353 -0.594 1.640 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -15.784 0.652 3.603 1.00 0.00 C ATOM 1251 CZ TYR A 82 -16.461 0.549 2.405 1.00 0.00 C ATOM 1252 OH TYR A 82 -17.248 1.591 1.972 1.00 0.00 O ATOM 0 H TYR A 82 -14.299 -3.921 6.396 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.764 -3.935 3.854 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.302 -2.332 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.416 -3.076 2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -15.481 -2.532 1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.464 -0.311 4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.883 -0.672 0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.871 1.547 4.201 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.216 2.319 2.627 1.00 0.00 H new ATOM 1262 N CYS A 83 -14.398 -5.890 3.097 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.754 -7.163 2.788 1.00 0.00 C ATOM 1264 C CYS A 83 -13.438 -7.264 1.299 1.00 0.00 C ATOM 1265 O CYS A 83 -14.014 -6.547 0.481 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.651 -8.327 3.211 1.00 0.00 C ATOM 1267 SG CYS A 83 -16.318 -8.268 2.513 1.00 0.00 S ATOM 0 H CYS A 83 -15.124 -5.613 2.436 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.818 -7.214 3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.178 -9.263 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.724 -8.338 4.298 1.00 0.00 H new ATOM 0 HG CYS A 83 -16.999 -9.295 2.927 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.518 -8.159 0.955 1.00 0.00 N ATOM 1274 CA PHE A 84 -12.121 -8.352 -0.435 1.00 0.00 C ATOM 1275 C PHE A 84 -11.880 -9.830 -0.731 1.00 0.00 C ATOM 1276 O PHE A 84 -12.105 -10.689 0.122 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.859 -7.545 -0.745 1.00 0.00 C ATOM 1278 CG PHE A 84 -11.090 -6.062 -0.782 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.981 -5.301 0.371 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -11.415 -5.428 -1.970 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -11.193 -3.936 0.340 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -11.629 -4.063 -2.008 1.00 0.00 C ATOM 1283 CZ PHE A 84 -11.516 -3.316 -0.851 1.00 0.00 C ATOM 0 H PHE A 84 -12.033 -8.762 1.620 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.933 -8.000 -1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.101 -7.768 0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.459 -7.866 -1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.727 -5.781 1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.502 -6.007 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.106 -3.355 1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.884 -3.581 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.680 -2.249 -0.878 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.422 -10.117 -1.944 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.149 -11.490 -2.354 1.00 0.00 C ATOM 1295 C ASP A 85 -9.655 -11.791 -2.284 1.00 0.00 C ATOM 1296 O ASP A 85 -9.251 -12.936 -2.085 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.665 -11.733 -3.772 1.00 0.00 C ATOM 1298 CG ASP A 85 -11.885 -13.205 -4.063 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -12.973 -13.721 -3.731 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -10.969 -13.842 -4.625 1.00 0.00 O ATOM 0 H ASP A 85 -11.232 -9.417 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.668 -12.159 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.602 -11.194 -3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.953 -11.326 -4.490 1.00 0.00 H new ATOM 1305 N SER A 86 -8.839 -10.754 -2.451 1.00 0.00 N ATOM 1306 CA SER A 86 -7.390 -10.909 -2.412 1.00 0.00 C ATOM 1307 C SER A 86 -6.704 -9.556 -2.247 1.00 0.00 C ATOM 1308 O SER A 86 -7.363 -8.519 -2.171 1.00 0.00 O ATOM 1309 CB SER A 86 -6.894 -11.593 -3.687 1.00 0.00 C ATOM 1310 OG SER A 86 -7.598 -12.800 -3.926 1.00 0.00 O ATOM 0 H SER A 86 -9.157 -9.799 -2.614 1.00 0.00 H new ATOM 0 HA SER A 86 -7.139 -11.532 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.019 -10.921 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.828 -11.801 -3.600 1.00 0.00 H new ATOM 0 HG SER A 86 -7.901 -13.177 -3.073 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.376 -9.576 -2.192 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.600 -8.352 -2.039 1.00 0.00 C ATOM 1318 C ILE A 87 -4.739 -7.455 -3.263 1.00 0.00 C ATOM 1319 O ILE A 87 -5.163 -6.302 -3.174 1.00 0.00 O ATOM 1320 CB ILE A 87 -3.108 -8.657 -1.806 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.820 -8.793 -0.310 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -2.244 -7.566 -2.420 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -1.475 -9.415 -0.008 1.00 0.00 C ATOM 0 H ILE A 87 -4.816 -10.426 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.998 -7.834 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.865 -9.603 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.867 -7.807 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.602 -9.398 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.192 -7.795 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.433 -7.513 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.487 -6.608 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.338 -9.480 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.431 -10.415 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.685 -8.799 -0.437 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.376 -7.994 -4.436 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.455 -7.260 -5.703 1.00 0.00 C ATOM 1337 C PRO A 88 -5.894 -7.020 -6.146 1.00 0.00 C ATOM 1338 O PRO A 88 -6.141 -6.382 -7.170 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.737 -8.182 -6.692 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.879 -9.546 -6.109 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.864 -9.363 -4.617 1.00 0.00 C ATOM 0 HA PRO A 88 -4.013 -6.267 -5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.187 -8.126 -7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.688 -7.905 -6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.807 -10.015 -6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.064 -10.195 -6.431 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.495 -10.097 -4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.859 -9.474 -4.209 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.841 -7.536 -5.370 1.00 0.00 N ATOM 1350 CA LYS A 89 -8.257 -7.377 -5.682 1.00 0.00 C ATOM 1351 C LYS A 89 -8.836 -6.158 -4.970 1.00 0.00 C ATOM 1352 O LYS A 89 -9.914 -5.676 -5.321 1.00 0.00 O ATOM 1353 CB LYS A 89 -9.033 -8.632 -5.278 1.00 0.00 C ATOM 1354 CG LYS A 89 -10.539 -8.489 -5.420 1.00 0.00 C ATOM 1355 CD LYS A 89 -10.945 -8.288 -6.870 1.00 0.00 C ATOM 1356 CE LYS A 89 -10.837 -9.582 -7.663 1.00 0.00 C ATOM 1357 NZ LYS A 89 -9.473 -9.772 -8.232 1.00 0.00 N ATOM 0 H LYS A 89 -6.654 -8.068 -4.520 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.353 -7.228 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.697 -9.469 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.796 -8.878 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.029 -9.378 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.883 -7.644 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.969 -7.917 -6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.310 -7.527 -7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.082 -10.425 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.570 -9.576 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.534 -9.829 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.870 -8.968 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.062 -10.652 -7.861 1.00 0.00 H new ATOM 1371 N LEU A 90 -8.114 -5.662 -3.971 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.557 -4.499 -3.211 1.00 0.00 C ATOM 1373 C LEU A 90 -8.028 -3.210 -3.833 1.00 0.00 C ATOM 1374 O LEU A 90 -8.754 -2.223 -3.951 1.00 0.00 O ATOM 1375 CB LEU A 90 -8.090 -4.606 -1.758 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.916 -3.284 -1.010 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -8.043 -3.499 0.490 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.572 -2.653 -1.347 1.00 0.00 C ATOM 0 H LEU A 90 -7.219 -6.047 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.646 -4.473 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.807 -5.218 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.139 -5.138 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.705 -2.603 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.916 -2.547 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.028 -3.907 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.276 -4.198 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.465 -1.713 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.769 -3.331 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.518 -2.463 -2.419 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.760 -3.228 -4.231 1.00 0.00 N ATOM 1391 CA ILE A 91 -6.136 -2.062 -4.844 1.00 0.00 C ATOM 1392 C ILE A 91 -6.971 -1.539 -6.007 1.00 0.00 C ATOM 1393 O ILE A 91 -7.201 -0.336 -6.130 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.717 -2.384 -5.348 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.871 -2.971 -4.217 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -4.060 -1.133 -5.914 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.685 -2.027 -3.049 1.00 0.00 C ATOM 0 H ILE A 91 -6.145 -4.037 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.073 -1.295 -4.072 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.789 -3.125 -6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.341 -3.888 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.893 -3.246 -4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.058 -1.376 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.655 -0.754 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.997 -0.372 -5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.075 -2.509 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.188 -1.119 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.658 -1.772 -2.629 1.00 0.00 H new ATOM 1409 N HIS A 92 -7.425 -2.453 -6.860 1.00 0.00 N ATOM 1410 CA HIS A 92 -8.238 -2.085 -8.014 1.00 0.00 C ATOM 1411 C HIS A 92 -9.268 -1.024 -7.637 1.00 0.00 C ATOM 1412 O HIS A 92 -9.739 -0.271 -8.490 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.942 -3.317 -8.583 1.00 0.00 C ATOM 1414 CG HIS A 92 -9.583 -3.079 -9.915 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -10.693 -3.772 -10.351 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -9.266 -2.217 -10.909 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -11.029 -3.347 -11.555 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -10.179 -2.403 -11.918 1.00 0.00 N ATOM 0 H HIS A 92 -7.244 -3.453 -6.774 1.00 0.00 H new ATOM 0 HA HIS A 92 -7.577 -1.670 -8.775 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.219 -4.127 -8.677 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.703 -3.649 -7.877 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.447 -1.513 -10.909 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.859 -3.710 -12.144 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.198 -1.896 -12.803 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.613 -0.972 -6.355 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.591 -0.006 -5.866 1.00 0.00 C ATOM 1429 C TYR A 93 -9.900 1.252 -5.347 1.00 0.00 C ATOM 1430 O TYR A 93 -10.164 2.358 -5.819 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.442 -0.627 -4.759 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.521 -1.555 -5.271 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -12.256 -2.900 -5.503 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -13.804 -1.087 -5.527 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -13.238 -3.751 -5.973 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -14.792 -1.931 -5.996 1.00 0.00 C ATOM 1437 CZ TYR A 93 -14.504 -3.262 -6.217 1.00 0.00 C ATOM 1438 OH TYR A 93 -15.485 -4.105 -6.685 1.00 0.00 O ATOM 0 H TYR A 93 -9.231 -1.586 -5.636 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.237 0.273 -6.698 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.792 -1.179 -4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.906 0.171 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.266 -3.286 -5.313 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.033 -0.045 -5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.015 -4.793 -6.148 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.784 -1.551 -6.189 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.318 -3.603 -6.803 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.013 1.073 -4.373 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.284 2.193 -3.790 1.00 0.00 C ATOM 1450 C HIS A 94 -7.536 2.974 -4.866 1.00 0.00 C ATOM 1451 O HIS A 94 -7.696 4.188 -4.987 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.300 1.692 -2.731 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.964 1.197 -1.483 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -7.837 1.827 -0.263 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.765 0.127 -1.271 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -8.531 1.165 0.646 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -9.104 0.130 0.060 1.00 0.00 N ATOM 0 H HIS A 94 -8.782 0.164 -3.972 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.007 2.859 -3.319 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.699 0.888 -3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.615 2.499 -2.472 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.079 -0.595 -2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.615 1.426 1.691 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.702 -0.556 0.521 1.00 0.00 H new ATOM 1466 N GLN A 95 -6.720 2.269 -5.643 1.00 0.00 N ATOM 1467 CA GLN A 95 -5.948 2.898 -6.709 1.00 0.00 C ATOM 1468 C GLN A 95 -6.764 3.981 -7.406 1.00 0.00 C ATOM 1469 O GLN A 95 -6.210 4.935 -7.953 1.00 0.00 O ATOM 1470 CB GLN A 95 -5.495 1.849 -7.726 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.327 2.302 -8.588 1.00 0.00 C ATOM 1472 CD GLN A 95 -4.067 1.370 -9.755 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -4.716 1.465 -10.796 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -3.113 0.462 -9.586 1.00 0.00 N ATOM 0 H GLN A 95 -6.576 1.263 -5.555 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.069 3.363 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.213 0.939 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.335 1.595 -8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.527 3.305 -8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.430 2.366 -7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.600 0.419 -8.706 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.893 -0.193 -10.337 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.084 3.828 -7.384 1.00 0.00 N ATOM 1484 CA HIS A 96 -8.976 4.794 -8.014 1.00 0.00 C ATOM 1485 C HIS A 96 -9.624 5.697 -6.969 1.00 0.00 C ATOM 1486 O HIS A 96 -9.316 6.885 -6.885 1.00 0.00 O ATOM 1487 CB HIS A 96 -10.057 4.072 -8.820 1.00 0.00 C ATOM 1488 CG HIS A 96 -9.567 3.533 -10.129 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -10.143 3.858 -11.339 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -8.547 2.689 -10.413 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -9.500 3.235 -12.311 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -8.528 2.520 -11.776 1.00 0.00 N ATOM 0 H HIS A 96 -8.559 3.044 -6.937 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.383 5.413 -8.687 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.455 3.251 -8.224 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.881 4.761 -9.005 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.874 2.234 -9.701 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.731 3.300 -13.364 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -7.869 1.936 -12.291 1.00 0.00 H new ATOM 1501 N ASN A 97 -10.524 5.126 -6.176 1.00 0.00 N ATOM 1502 CA ASN A 97 -11.216 5.881 -5.137 1.00 0.00 C ATOM 1503 C ASN A 97 -11.042 5.216 -3.774 1.00 0.00 C ATOM 1504 O ASN A 97 -11.339 4.034 -3.607 1.00 0.00 O ATOM 1505 CB ASN A 97 -12.704 6.002 -5.472 1.00 0.00 C ATOM 1506 CG ASN A 97 -12.950 6.190 -6.956 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -12.980 5.087 -7.694 1.00 0.00 O flip ATOM 1508 ND2 ASN A 97 -13.111 7.313 -7.432 1.00 0.00 N flip ATOM 0 H ASN A 97 -10.792 4.143 -6.232 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.778 6.878 -5.093 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.224 5.107 -5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.129 6.845 -4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.080 8.133 -6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.276 7.424 -8.432 1.00 0.00 H new ATOM 1515 N SER A 98 -10.559 5.985 -2.804 1.00 0.00 N ATOM 1516 CA SER A 98 -10.343 5.471 -1.457 1.00 0.00 C ATOM 1517 C SER A 98 -11.577 4.729 -0.953 1.00 0.00 C ATOM 1518 O SER A 98 -12.682 4.927 -1.457 1.00 0.00 O ATOM 1519 CB SER A 98 -9.997 6.615 -0.501 1.00 0.00 C ATOM 1520 OG SER A 98 -10.978 7.637 -0.553 1.00 0.00 O ATOM 0 H SER A 98 -10.310 6.967 -2.926 1.00 0.00 H new ATOM 0 HA SER A 98 -9.509 4.771 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.920 6.232 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.022 7.028 -0.761 1.00 0.00 H new ATOM 0 HG SER A 98 -10.735 8.355 0.068 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.379 3.873 0.043 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.475 3.101 0.616 1.00 0.00 C ATOM 1528 C ALA A 99 -13.196 3.894 1.701 1.00 0.00 C ATOM 1529 O ALA A 99 -14.417 4.044 1.666 1.00 0.00 O ATOM 1530 CB ALA A 99 -11.956 1.786 1.178 1.00 0.00 C ATOM 0 H ALA A 99 -10.470 3.696 0.470 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.191 2.887 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.785 1.220 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.492 1.207 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.219 1.988 1.955 1.00 0.00 H new ATOM 1536 N GLY A 100 -12.432 4.402 2.664 1.00 0.00 N ATOM 1537 CA GLY A 100 -13.017 5.172 3.746 1.00 0.00 C ATOM 1538 C GLY A 100 -11.972 5.885 4.580 1.00 0.00 C ATOM 1539 O GLY A 100 -12.133 7.055 4.924 1.00 0.00 O ATOM 0 H GLY A 100 -11.419 4.294 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.710 5.905 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.599 4.509 4.387 1.00 0.00 H new ATOM 1543 N MET A 101 -10.896 5.177 4.910 1.00 0.00 N ATOM 1544 CA MET A 101 -9.820 5.749 5.711 1.00 0.00 C ATOM 1545 C MET A 101 -8.516 5.787 4.922 1.00 0.00 C ATOM 1546 O MET A 101 -7.913 6.847 4.751 1.00 0.00 O ATOM 1547 CB MET A 101 -9.629 4.943 6.997 1.00 0.00 C ATOM 1548 CG MET A 101 -8.440 5.397 7.827 1.00 0.00 C ATOM 1549 SD MET A 101 -8.065 4.267 9.182 1.00 0.00 S ATOM 1550 CE MET A 101 -7.639 5.424 10.480 1.00 0.00 C ATOM 0 H MET A 101 -10.746 4.206 4.635 1.00 0.00 H new ATOM 0 HA MET A 101 -10.097 6.771 5.969 1.00 0.00 H new ATOM 0 HB2 MET A 101 -10.533 5.018 7.601 1.00 0.00 H new ATOM 0 HB3 MET A 101 -9.503 3.891 6.741 1.00 0.00 H new ATOM 0 HG2 MET A 101 -7.566 5.488 7.182 1.00 0.00 H new ATOM 0 HG3 MET A 101 -8.642 6.389 8.232 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.382 4.876 11.386 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.786 6.026 10.166 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.489 6.076 10.679 1.00 0.00 H new ATOM 1560 N ILE A 102 -8.085 4.625 4.442 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.853 4.527 3.671 1.00 0.00 C ATOM 1562 C ILE A 102 -6.663 5.749 2.780 1.00 0.00 C ATOM 1563 O ILE A 102 -7.620 6.264 2.199 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.837 3.260 2.794 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -6.992 2.011 3.663 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.551 3.193 1.984 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.275 2.104 4.991 1.00 0.00 C ATOM 0 H ILE A 102 -8.572 3.738 4.574 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.035 4.473 4.390 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.677 3.304 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.052 1.834 3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.613 1.148 3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.554 2.293 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.480 4.071 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.696 3.168 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.429 1.183 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.209 2.250 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.670 2.946 5.559 1.00 0.00 H new ATOM 1579 N THR A 103 -5.421 6.211 2.675 1.00 0.00 N ATOM 1580 CA THR A 103 -5.104 7.374 1.855 1.00 0.00 C ATOM 1581 C THR A 103 -5.382 7.099 0.382 1.00 0.00 C ATOM 1582 O THR A 103 -5.328 5.954 -0.067 1.00 0.00 O ATOM 1583 CB THR A 103 -3.630 7.792 2.019 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.343 8.045 3.399 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.326 9.035 1.196 1.00 0.00 C ATOM 0 H THR A 103 -4.618 5.797 3.148 1.00 0.00 H new ATOM 0 HA THR A 103 -5.744 8.187 2.197 1.00 0.00 H new ATOM 0 HB THR A 103 -3.002 6.976 1.662 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.404 8.308 3.495 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.280 9.311 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.518 8.830 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.962 9.855 1.527 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.678 8.157 -0.366 1.00 0.00 N ATOM 1594 CA ARG A 104 -5.965 8.029 -1.790 1.00 0.00 C ATOM 1595 C ARG A 104 -4.695 7.714 -2.575 1.00 0.00 C ATOM 1596 O ARG A 104 -3.910 8.609 -2.892 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.600 9.316 -2.322 1.00 0.00 C ATOM 1598 CG ARG A 104 -8.111 9.356 -2.171 1.00 0.00 C ATOM 1599 CD ARG A 104 -8.719 10.496 -2.975 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.648 11.768 -2.261 1.00 0.00 N ATOM 1601 CZ ARG A 104 -9.174 12.898 -2.720 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -9.806 12.914 -3.885 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -9.067 14.016 -2.012 1.00 0.00 N ATOM 0 H ARG A 104 -5.725 9.112 -0.010 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.666 7.205 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.168 10.168 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.345 9.428 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.536 8.408 -2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.370 9.472 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.198 10.586 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.760 10.265 -3.201 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.168 11.790 -1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.889 12.057 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.209 13.783 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.581 14.007 -1.115 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.471 14.884 -2.365 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.499 6.436 -2.883 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.324 6.002 -3.630 1.00 0.00 C ATOM 1619 C LEU A 105 -3.083 6.902 -4.838 1.00 0.00 C ATOM 1620 O LEU A 105 -3.671 6.702 -5.901 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.492 4.552 -4.086 1.00 0.00 C ATOM 1622 CG LEU A 105 -4.070 3.585 -3.051 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.783 2.145 -3.447 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.503 3.882 -1.670 1.00 0.00 C ATOM 0 H LEU A 105 -5.138 5.683 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.459 6.071 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.137 4.541 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.519 4.176 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.151 3.723 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.202 1.472 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.236 1.937 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.706 1.993 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.925 3.185 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.419 3.772 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.759 4.902 -1.383 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.212 7.891 -4.668 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.892 8.821 -5.745 1.00 0.00 C ATOM 1638 C ARG A 106 -1.287 8.085 -6.936 1.00 0.00 C ATOM 1639 O ARG A 106 -1.740 8.240 -8.071 1.00 0.00 O ATOM 1640 CB ARG A 106 -0.923 9.895 -5.248 1.00 0.00 C ATOM 1641 CG ARG A 106 -1.612 11.082 -4.593 1.00 0.00 C ATOM 1642 CD ARG A 106 -0.767 12.342 -4.696 1.00 0.00 C ATOM 1643 NE ARG A 106 -0.630 12.799 -6.076 1.00 0.00 N ATOM 1644 CZ ARG A 106 -1.635 13.297 -6.789 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -2.844 13.402 -6.254 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -1.431 13.692 -8.040 1.00 0.00 N ATOM 0 H ARG A 106 -1.715 8.069 -3.795 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.817 9.298 -6.067 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.233 9.447 -4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.326 10.250 -6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.578 11.251 -5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.807 10.858 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.219 13.132 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.221 12.151 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 106 0.287 12.732 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.004 13.100 -5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.613 13.785 -6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.502 13.613 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.203 14.074 -8.586 1.00 0.00 H new ATOM 1660 N HIS A 107 -0.258 7.286 -6.671 1.00 0.00 N ATOM 1661 CA HIS A 107 0.411 6.526 -7.722 1.00 0.00 C ATOM 1662 C HIS A 107 1.192 5.356 -7.133 1.00 0.00 C ATOM 1663 O HIS A 107 1.730 5.430 -6.028 1.00 0.00 O ATOM 1664 CB HIS A 107 1.349 7.433 -8.517 1.00 0.00 C ATOM 1665 CG HIS A 107 0.657 8.225 -9.583 1.00 0.00 C ATOM 1666 ND1 HIS A 107 0.008 9.412 -9.523 1.00 0.00 N flip ATOM 1667 CD2 HIS A 107 0.577 7.813 -10.896 1.00 0.00 C flip ATOM 1668 CE1 HIS A 107 -0.447 9.692 -10.789 1.00 0.00 C flip ATOM 1669 NE2 HIS A 107 -0.090 8.712 -11.598 1.00 0.00 N flip ATOM 0 H HIS A 107 0.131 7.148 -5.738 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.352 6.129 -8.392 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.845 8.119 -7.831 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.127 6.823 -8.976 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.994 6.898 -11.290 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.006 10.571 -11.075 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.294 8.658 -12.596 1.00 0.00 H new ATOM 1678 N PRO A 108 1.257 4.248 -7.885 1.00 0.00 N ATOM 1679 CA PRO A 108 1.971 3.041 -7.458 1.00 0.00 C ATOM 1680 C PRO A 108 3.483 3.237 -7.441 1.00 0.00 C ATOM 1681 O PRO A 108 4.006 4.162 -8.061 1.00 0.00 O ATOM 1682 CB PRO A 108 1.578 2.004 -8.512 1.00 0.00 C ATOM 1683 CG PRO A 108 1.235 2.804 -9.721 1.00 0.00 C ATOM 1684 CD PRO A 108 0.640 4.088 -9.213 1.00 0.00 C ATOM 0 HA PRO A 108 1.711 2.753 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.397 1.314 -8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.730 1.404 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.121 2.997 -10.326 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.527 2.270 -10.355 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.874 4.927 -9.869 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.446 4.029 -9.147 1.00 0.00 H new ATOM 1692 N VAL A 109 4.180 2.358 -6.727 1.00 0.00 N ATOM 1693 CA VAL A 109 5.633 2.434 -6.630 1.00 0.00 C ATOM 1694 C VAL A 109 6.246 1.049 -6.456 1.00 0.00 C ATOM 1695 O VAL A 109 5.751 0.234 -5.678 1.00 0.00 O ATOM 1696 CB VAL A 109 6.073 3.329 -5.456 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.588 3.454 -5.418 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.418 4.698 -5.557 1.00 0.00 C ATOM 0 H VAL A 109 3.762 1.586 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 109 5.989 2.871 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 109 5.749 2.864 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.880 4.090 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.032 2.466 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.940 3.896 -6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.739 5.318 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 109 5.710 5.173 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.334 4.586 -5.530 1.00 0.00 H new ATOM 1708 N SER A 110 7.325 0.789 -7.188 1.00 0.00 N ATOM 1709 CA SER A 110 8.004 -0.500 -7.116 1.00 0.00 C ATOM 1710 C SER A 110 9.465 -0.323 -6.718 1.00 0.00 C ATOM 1711 O SER A 110 9.971 0.797 -6.654 1.00 0.00 O ATOM 1712 CB SER A 110 7.914 -1.221 -8.463 1.00 0.00 C ATOM 1713 OG SER A 110 8.644 -0.530 -9.461 1.00 0.00 O ATOM 0 H SER A 110 7.747 1.453 -7.837 1.00 0.00 H new ATOM 0 HA SER A 110 7.509 -1.103 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.300 -2.235 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.870 -1.306 -8.765 1.00 0.00 H new ATOM 0 HG SER A 110 8.572 -1.012 -10.311 1.00 0.00 H new TER 1719 SER A 110