USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 864 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 97 TYR OH : rot 180:sc= -0.43 USER MOD Set 1.2: A 102 LYS NZ :NH3+ -115:sc= -1.48 (180deg=-2.08!) USER MOD Set 2.1: A 100 LYS NZ :NH3+ 177:sc= 0.00573 (180deg=0) USER MOD Set 2.2: A 101 HIS :FLIP no HD1:sc= -1.4 F(o=-2.6!,f=-1.4) USER MOD Set 3.1: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 110 LYS NZ :NH3+ -122:sc= -0.0753 (180deg=-1.14) USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0136 (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 -45:sc= 0.921 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.943 K(o=-0.94,f=-1.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 90:sc= 0.416 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc=-0.00239 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 8:sc= 0.0887 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-6.4!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.326 F(o=-0.83,f=-0.33) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.77 F(o=-1.7!,f=-0.77) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0828 K(o=-0.083,f=-1.8!) USER MOD Single : A 87 GLN : amide:sc= -0.882 X(o=-0.88,f=-1) USER MOD Single : A 89 THR OG1 : rot -119:sc= 0.774 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 144:sc= -0.169 (180deg=-0.86) USER MOD Single : A 119 THR OG1 : rot 80:sc= -0.897 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.275 19.644 7.723 1.00 0.00 N ATOM 2 CA GLY A 1 16.602 19.256 8.164 1.00 0.00 C ATOM 3 C GLY A 1 17.240 18.230 7.249 1.00 0.00 C ATOM 4 O GLY A 1 17.031 18.255 6.036 1.00 0.00 O ATOM 0 H1 GLY A 1 15.132 20.658 7.904 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.179 19.457 6.704 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.562 19.095 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.238 20.140 8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.542 18.850 9.174 1.00 0.00 H new ATOM 8 N SER A 2 18.023 17.327 7.830 1.00 0.00 N ATOM 9 CA SER A 2 18.698 16.291 7.058 1.00 0.00 C ATOM 10 C SER A 2 18.481 14.917 7.685 1.00 0.00 C ATOM 11 O SER A 2 17.995 14.806 8.811 1.00 0.00 O ATOM 12 CB SER A 2 20.196 16.589 6.964 1.00 0.00 C ATOM 13 OG SER A 2 20.446 17.667 6.078 1.00 0.00 O ATOM 0 H SER A 2 18.206 17.292 8.833 1.00 0.00 H new ATOM 0 HA SER A 2 18.272 16.285 6.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.585 16.829 7.953 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.726 15.701 6.620 1.00 0.00 H new ATOM 0 HG SER A 2 21.410 17.839 6.036 1.00 0.00 H new ATOM 19 N SER A 3 18.844 13.872 6.947 1.00 0.00 N ATOM 20 CA SER A 3 18.686 12.505 7.428 1.00 0.00 C ATOM 21 C SER A 3 20.044 11.860 7.689 1.00 0.00 C ATOM 22 O SER A 3 21.082 12.399 7.310 1.00 0.00 O ATOM 23 CB SER A 3 17.900 11.673 6.413 1.00 0.00 C ATOM 24 OG SER A 3 16.544 12.081 6.360 1.00 0.00 O ATOM 0 H SER A 3 19.249 13.947 6.014 1.00 0.00 H new ATOM 0 HA SER A 3 18.133 12.538 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.352 11.775 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.955 10.618 6.682 1.00 0.00 H new ATOM 0 HG SER A 3 16.064 11.535 5.703 1.00 0.00 H new ATOM 30 N GLY A 4 20.026 10.701 8.340 1.00 0.00 N ATOM 31 CA GLY A 4 21.261 10.000 8.642 1.00 0.00 C ATOM 32 C GLY A 4 22.289 10.136 7.536 1.00 0.00 C ATOM 33 O GLY A 4 21.944 10.137 6.354 1.00 0.00 O ATOM 0 H GLY A 4 19.179 10.235 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.678 10.388 9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.045 8.944 8.806 1.00 0.00 H new ATOM 37 N SER A 5 23.556 10.253 7.919 1.00 0.00 N ATOM 38 CA SER A 5 24.638 10.396 6.952 1.00 0.00 C ATOM 39 C SER A 5 25.159 9.030 6.515 1.00 0.00 C ATOM 40 O SER A 5 26.348 8.867 6.238 1.00 0.00 O ATOM 41 CB SER A 5 25.778 11.223 7.548 1.00 0.00 C ATOM 42 OG SER A 5 26.804 11.440 6.595 1.00 0.00 O ATOM 0 H SER A 5 23.859 10.252 8.893 1.00 0.00 H new ATOM 0 HA SER A 5 24.244 10.913 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.393 12.181 7.896 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.188 10.709 8.418 1.00 0.00 H new ATOM 0 HG SER A 5 27.004 10.599 6.133 1.00 0.00 H new ATOM 48 N SER A 6 24.261 8.052 6.455 1.00 0.00 N ATOM 49 CA SER A 6 24.630 6.699 6.055 1.00 0.00 C ATOM 50 C SER A 6 24.059 6.364 4.681 1.00 0.00 C ATOM 51 O SER A 6 24.765 5.856 3.810 1.00 0.00 O ATOM 52 CB SER A 6 24.132 5.686 7.088 1.00 0.00 C ATOM 53 OG SER A 6 22.829 6.015 7.537 1.00 0.00 O ATOM 0 H SER A 6 23.273 8.171 6.678 1.00 0.00 H new ATOM 0 HA SER A 6 25.717 6.646 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.128 4.688 6.651 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.817 5.660 7.936 1.00 0.00 H new ATOM 0 HG SER A 6 22.533 5.352 8.195 1.00 0.00 H new ATOM 59 N GLY A 7 22.775 6.652 4.494 1.00 0.00 N ATOM 60 CA GLY A 7 22.130 6.375 3.224 1.00 0.00 C ATOM 61 C GLY A 7 22.623 5.089 2.591 1.00 0.00 C ATOM 62 O GLY A 7 23.505 5.110 1.733 1.00 0.00 O ATOM 0 H GLY A 7 22.170 7.072 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.052 6.313 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.309 7.205 2.540 1.00 0.00 H new ATOM 66 N ARG A 8 22.054 3.966 3.017 1.00 0.00 N ATOM 67 CA ARG A 8 22.444 2.664 2.488 1.00 0.00 C ATOM 68 C ARG A 8 21.216 1.819 2.164 1.00 0.00 C ATOM 69 O ARG A 8 21.325 0.622 1.898 1.00 0.00 O ATOM 70 CB ARG A 8 23.332 1.927 3.493 1.00 0.00 C ATOM 71 CG ARG A 8 22.890 2.098 4.937 1.00 0.00 C ATOM 72 CD ARG A 8 21.743 1.162 5.283 1.00 0.00 C ATOM 73 NE ARG A 8 22.219 -0.142 5.737 1.00 0.00 N ATOM 74 CZ ARG A 8 21.461 -1.014 6.393 1.00 0.00 C ATOM 75 NH1 ARG A 8 20.198 -0.721 6.672 1.00 0.00 N ATOM 76 NH2 ARG A 8 21.967 -2.180 6.773 1.00 0.00 N ATOM 0 H ARG A 8 21.322 3.931 3.726 1.00 0.00 H new ATOM 0 HA ARG A 8 23.005 2.827 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 8 23.340 0.865 3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 8 24.356 2.285 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 8 23.732 1.905 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.582 3.130 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 8 21.128 1.614 6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.106 1.031 4.409 1.00 0.00 H new ATOM 0 HE ARG A 8 23.187 -0.397 5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 8 19.807 0.175 6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.618 -1.392 7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 8 22.939 -2.408 6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 8 21.384 -2.849 7.277 1.00 0.00 H new ATOM 90 N LEU A 9 20.047 2.451 2.188 1.00 0.00 N ATOM 91 CA LEU A 9 18.797 1.757 1.896 1.00 0.00 C ATOM 92 C LEU A 9 18.645 1.516 0.398 1.00 0.00 C ATOM 93 O LEU A 9 18.078 0.507 -0.025 1.00 0.00 O ATOM 94 CB LEU A 9 17.608 2.567 2.417 1.00 0.00 C ATOM 95 CG LEU A 9 17.178 2.278 3.856 1.00 0.00 C ATOM 96 CD1 LEU A 9 16.214 3.346 4.350 1.00 0.00 C ATOM 97 CD2 LEU A 9 16.545 0.898 3.956 1.00 0.00 C ATOM 0 H LEU A 9 19.939 3.441 2.406 1.00 0.00 H new ATOM 0 HA LEU A 9 18.820 0.791 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 9 17.853 3.626 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.756 2.387 1.761 1.00 0.00 H new ATOM 0 HG LEU A 9 18.064 2.296 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.919 3.124 5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.702 4.320 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.330 3.360 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.245 0.709 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.669 0.852 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.267 0.143 3.644 1.00 0.00 H new ATOM 109 N LEU A 10 19.155 2.446 -0.401 1.00 0.00 N ATOM 110 CA LEU A 10 19.079 2.334 -1.853 1.00 0.00 C ATOM 111 C LEU A 10 20.307 2.951 -2.513 1.00 0.00 C ATOM 112 O LEU A 10 21.065 3.683 -1.876 1.00 0.00 O ATOM 113 CB LEU A 10 17.811 3.015 -2.371 1.00 0.00 C ATOM 114 CG LEU A 10 17.511 4.400 -1.795 1.00 0.00 C ATOM 115 CD1 LEU A 10 17.277 4.315 -0.295 1.00 0.00 C ATOM 116 CD2 LEU A 10 18.646 5.365 -2.107 1.00 0.00 C ATOM 0 H LEU A 10 19.626 3.287 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 10 19.046 1.275 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.886 3.103 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 10 16.962 2.365 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 10 16.602 4.778 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.065 5.310 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.430 3.658 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.168 3.916 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.415 6.345 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.571 4.992 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.765 5.450 -3.187 1.00 0.00 H new ATOM 128 N ASP A 11 20.498 2.653 -3.794 1.00 0.00 N ATOM 129 CA ASP A 11 21.633 3.181 -4.541 1.00 0.00 C ATOM 130 C ASP A 11 21.163 4.105 -5.661 1.00 0.00 C ATOM 131 O ASP A 11 21.267 5.328 -5.555 1.00 0.00 O ATOM 132 CB ASP A 11 22.465 2.037 -5.123 1.00 0.00 C ATOM 133 CG ASP A 11 21.612 0.854 -5.539 1.00 0.00 C ATOM 134 OD1 ASP A 11 21.062 0.177 -4.645 1.00 0.00 O ATOM 135 OD2 ASP A 11 21.495 0.606 -6.757 1.00 0.00 O ATOM 0 H ASP A 11 19.881 2.048 -4.336 1.00 0.00 H new ATOM 0 HA ASP A 11 22.253 3.757 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 11 23.023 2.400 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 11 23.197 1.711 -4.384 1.00 0.00 H new ATOM 140 N LEU A 12 20.648 3.514 -6.732 1.00 0.00 N ATOM 141 CA LEU A 12 20.163 4.284 -7.873 1.00 0.00 C ATOM 142 C LEU A 12 18.692 3.987 -8.144 1.00 0.00 C ATOM 143 O LEU A 12 18.279 3.848 -9.295 1.00 0.00 O ATOM 144 CB LEU A 12 20.996 3.969 -9.116 1.00 0.00 C ATOM 145 CG LEU A 12 22.254 4.816 -9.313 1.00 0.00 C ATOM 146 CD1 LEU A 12 23.245 4.098 -10.217 1.00 0.00 C ATOM 147 CD2 LEU A 12 21.896 6.179 -9.887 1.00 0.00 C ATOM 0 H LEU A 12 20.555 2.504 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 12 20.263 5.343 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.291 2.920 -9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 12 20.361 4.088 -9.994 1.00 0.00 H new ATOM 0 HG LEU A 12 22.723 4.966 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.134 4.716 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.527 3.147 -9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.786 3.916 -11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.804 6.768 -10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 12 21.403 6.050 -10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.225 6.697 -9.202 1.00 0.00 H new ATOM 159 N GLU A 13 17.905 3.894 -7.076 1.00 0.00 N ATOM 160 CA GLU A 13 16.479 3.616 -7.200 1.00 0.00 C ATOM 161 C GLU A 13 15.788 4.683 -8.045 1.00 0.00 C ATOM 162 O GLU A 13 15.528 5.789 -7.575 1.00 0.00 O ATOM 163 CB GLU A 13 15.829 3.545 -5.817 1.00 0.00 C ATOM 164 CG GLU A 13 16.186 2.289 -5.041 1.00 0.00 C ATOM 165 CD GLU A 13 15.504 1.050 -5.589 1.00 0.00 C ATOM 166 OE1 GLU A 13 15.686 0.753 -6.788 1.00 0.00 O ATOM 167 OE2 GLU A 13 14.788 0.377 -4.818 1.00 0.00 O ATOM 0 H GLU A 13 18.231 4.007 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 13 16.364 2.653 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.130 4.418 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.746 3.596 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.266 2.146 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.906 2.421 -3.996 1.00 0.00 H new ATOM 174 N ASN A 14 15.496 4.341 -9.296 1.00 0.00 N ATOM 175 CA ASN A 14 14.836 5.269 -10.208 1.00 0.00 C ATOM 176 C ASN A 14 13.707 6.014 -9.502 1.00 0.00 C ATOM 177 O ASN A 14 13.587 7.234 -9.620 1.00 0.00 O ATOM 178 CB ASN A 14 14.287 4.518 -11.423 1.00 0.00 C ATOM 179 CG ASN A 14 15.369 4.175 -12.428 1.00 0.00 C ATOM 180 OD1 ASN A 14 15.933 3.081 -12.400 1.00 0.00 O ATOM 181 ND2 ASN A 14 15.664 5.111 -13.322 1.00 0.00 N ATOM 0 H ASN A 14 15.706 3.429 -9.701 1.00 0.00 H new ATOM 0 HA ASN A 14 15.574 5.998 -10.543 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.800 3.601 -11.090 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.524 5.126 -11.908 1.00 0.00 H new ATOM 0 HD21 ASN A 14 16.384 4.938 -14.023 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.171 6.004 -13.308 1.00 0.00 H new ATOM 188 N ILE A 15 12.883 5.272 -8.770 1.00 0.00 N ATOM 189 CA ILE A 15 11.765 5.863 -8.045 1.00 0.00 C ATOM 190 C ILE A 15 12.252 6.679 -6.854 1.00 0.00 C ATOM 191 O ILE A 15 13.186 6.282 -6.157 1.00 0.00 O ATOM 192 CB ILE A 15 10.784 4.784 -7.548 1.00 0.00 C ATOM 193 CG1 ILE A 15 10.232 3.982 -8.728 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.651 5.423 -6.758 1.00 0.00 C ATOM 195 CD1 ILE A 15 11.102 2.808 -9.120 1.00 0.00 C ATOM 0 H ILE A 15 12.968 4.261 -8.663 1.00 0.00 H new ATOM 0 HA ILE A 15 11.247 6.520 -8.744 1.00 0.00 H new ATOM 0 HB ILE A 15 11.321 4.101 -6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.236 3.618 -8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.121 4.644 -9.587 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.966 4.649 -6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.061 5.954 -5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.114 6.125 -7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.650 2.285 -9.963 1.00 0.00 H new ATOM 0 HD12 ILE A 15 12.091 3.167 -9.404 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.193 2.125 -8.276 1.00 0.00 H new ATOM 207 N GLN A 16 11.613 7.822 -6.624 1.00 0.00 N ATOM 208 CA GLN A 16 11.981 8.694 -5.515 1.00 0.00 C ATOM 209 C GLN A 16 10.821 8.851 -4.538 1.00 0.00 C ATOM 210 O GLN A 16 10.146 9.881 -4.522 1.00 0.00 O ATOM 211 CB GLN A 16 12.412 10.065 -6.039 1.00 0.00 C ATOM 212 CG GLN A 16 11.562 10.570 -7.193 1.00 0.00 C ATOM 213 CD GLN A 16 11.740 12.055 -7.443 1.00 0.00 C ATOM 214 OE1 GLN A 16 12.667 12.473 -8.138 1.00 0.00 O ATOM 215 NE2 GLN A 16 10.850 12.862 -6.876 1.00 0.00 N ATOM 0 H GLN A 16 10.838 8.165 -7.191 1.00 0.00 H new ATOM 0 HA GLN A 16 12.817 8.236 -4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.368 10.787 -5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.452 10.011 -6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.820 10.020 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.512 10.364 -6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.098 12.473 -6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.919 13.871 -7.009 1.00 0.00 H new ATOM 224 N ILE A 17 10.595 7.824 -3.725 1.00 0.00 N ATOM 225 CA ILE A 17 9.517 7.850 -2.745 1.00 0.00 C ATOM 226 C ILE A 17 9.592 9.103 -1.878 1.00 0.00 C ATOM 227 O ILE A 17 10.664 9.529 -1.451 1.00 0.00 O ATOM 228 CB ILE A 17 9.554 6.607 -1.835 1.00 0.00 C ATOM 229 CG1 ILE A 17 9.412 5.333 -2.670 1.00 0.00 C ATOM 230 CG2 ILE A 17 8.455 6.686 -0.787 1.00 0.00 C ATOM 231 CD1 ILE A 17 9.692 4.067 -1.892 1.00 0.00 C ATOM 0 H ILE A 17 11.144 6.964 -3.726 1.00 0.00 H new ATOM 0 HA ILE A 17 8.582 7.854 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 17 10.516 6.577 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.401 5.285 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.094 5.387 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.494 5.801 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.598 7.578 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.484 6.736 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.572 3.204 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.712 4.093 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.993 3.990 -1.059 1.00 0.00 H new ATOM 243 N PRO A 18 8.424 9.707 -1.610 1.00 0.00 N ATOM 244 CA PRO A 18 8.330 10.918 -0.790 1.00 0.00 C ATOM 245 C PRO A 18 8.640 10.650 0.678 1.00 0.00 C ATOM 246 O PRO A 18 8.829 9.502 1.083 1.00 0.00 O ATOM 247 CB PRO A 18 6.870 11.347 -0.959 1.00 0.00 C ATOM 248 CG PRO A 18 6.142 10.091 -1.294 1.00 0.00 C ATOM 249 CD PRO A 18 7.107 9.253 -2.087 1.00 0.00 C ATOM 0 HA PRO A 18 9.050 11.676 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.482 11.798 -0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.765 12.089 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.825 9.571 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.243 10.303 -1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.959 8.189 -1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.991 9.412 -3.159 1.00 0.00 H new ATOM 257 N ASP A 19 8.692 11.714 1.471 1.00 0.00 N ATOM 258 CA ASP A 19 8.978 11.593 2.896 1.00 0.00 C ATOM 259 C ASP A 19 7.746 11.116 3.659 1.00 0.00 C ATOM 260 O ASP A 19 7.850 10.318 4.590 1.00 0.00 O ATOM 261 CB ASP A 19 9.454 12.933 3.458 1.00 0.00 C ATOM 262 CG ASP A 19 10.141 12.786 4.802 1.00 0.00 C ATOM 263 OD1 ASP A 19 10.940 11.840 4.959 1.00 0.00 O ATOM 264 OD2 ASP A 19 9.879 13.617 5.697 1.00 0.00 O ATOM 0 H ASP A 19 8.540 12.671 1.151 1.00 0.00 H new ATOM 0 HA ASP A 19 9.769 10.854 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.141 13.397 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.601 13.604 3.561 1.00 0.00 H new ATOM 269 N ALA A 20 6.579 11.612 3.259 1.00 0.00 N ATOM 270 CA ALA A 20 5.328 11.236 3.904 1.00 0.00 C ATOM 271 C ALA A 20 4.346 10.648 2.896 1.00 0.00 C ATOM 272 O ALA A 20 4.359 10.983 1.712 1.00 0.00 O ATOM 273 CB ALA A 20 4.712 12.440 4.602 1.00 0.00 C ATOM 0 H ALA A 20 6.475 12.275 2.491 1.00 0.00 H new ATOM 0 HA ALA A 20 5.547 10.470 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.778 12.145 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.403 12.816 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.514 13.223 3.870 1.00 0.00 H new ATOM 279 N PRO A 21 3.474 9.748 3.375 1.00 0.00 N ATOM 280 CA PRO A 21 2.469 9.093 2.532 1.00 0.00 C ATOM 281 C PRO A 21 1.377 10.056 2.079 1.00 0.00 C ATOM 282 O PRO A 21 0.803 10.801 2.874 1.00 0.00 O ATOM 283 CB PRO A 21 1.884 8.016 3.449 1.00 0.00 C ATOM 284 CG PRO A 21 2.113 8.528 4.829 1.00 0.00 C ATOM 285 CD PRO A 21 3.401 9.301 4.776 1.00 0.00 C ATOM 0 HA PRO A 21 2.902 8.700 1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.822 7.864 3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.377 7.056 3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.289 9.165 5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.180 7.708 5.543 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.392 10.144 5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.255 8.678 5.044 1.00 0.00 H new ATOM 293 N PRO A 22 1.081 10.043 0.771 1.00 0.00 N ATOM 294 CA PRO A 22 0.054 10.908 0.182 1.00 0.00 C ATOM 295 C PRO A 22 -1.355 10.507 0.605 1.00 0.00 C ATOM 296 O PRO A 22 -1.576 9.444 1.185 1.00 0.00 O ATOM 297 CB PRO A 22 0.239 10.704 -1.324 1.00 0.00 C ATOM 298 CG PRO A 22 0.856 9.355 -1.450 1.00 0.00 C ATOM 299 CD PRO A 22 1.725 9.181 -0.235 1.00 0.00 C ATOM 0 HA PRO A 22 0.162 11.944 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.714 10.754 -1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.880 11.474 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.092 8.579 -1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.444 9.279 -2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.759 8.141 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.753 9.488 -0.429 1.00 0.00 H new ATOM 307 N PRO A 23 -2.332 11.376 0.310 1.00 0.00 N ATOM 308 CA PRO A 23 -3.737 11.133 0.650 1.00 0.00 C ATOM 309 C PRO A 23 -4.350 10.011 -0.182 1.00 0.00 C ATOM 310 O PRO A 23 -4.567 10.166 -1.384 1.00 0.00 O ATOM 311 CB PRO A 23 -4.416 12.468 0.330 1.00 0.00 C ATOM 312 CG PRO A 23 -3.545 13.098 -0.702 1.00 0.00 C ATOM 313 CD PRO A 23 -2.142 12.663 -0.380 1.00 0.00 C ATOM 0 HA PRO A 23 -3.856 10.816 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.428 12.317 -0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.495 13.095 1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.833 12.778 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.633 14.184 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.540 12.550 -1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.633 13.388 0.255 1.00 0.00 H new ATOM 321 N ILE A 24 -4.625 8.884 0.465 1.00 0.00 N ATOM 322 CA ILE A 24 -5.214 7.738 -0.216 1.00 0.00 C ATOM 323 C ILE A 24 -6.353 8.168 -1.134 1.00 0.00 C ATOM 324 O ILE A 24 -7.174 9.018 -0.788 1.00 0.00 O ATOM 325 CB ILE A 24 -5.745 6.698 0.789 1.00 0.00 C ATOM 326 CG1 ILE A 24 -4.610 6.198 1.686 1.00 0.00 C ATOM 327 CG2 ILE A 24 -6.398 5.537 0.054 1.00 0.00 C ATOM 328 CD1 ILE A 24 -5.093 5.517 2.947 1.00 0.00 C ATOM 0 H ILE A 24 -4.450 8.740 1.459 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.422 7.285 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.498 7.173 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.991 5.501 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.975 7.041 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.768 4.811 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.229 5.908 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.665 5.060 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.236 5.188 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.688 6.217 3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.704 4.654 2.683 1.00 0.00 H new ATOM 340 N PRO A 25 -6.406 7.569 -2.332 1.00 0.00 N ATOM 341 CA PRO A 25 -7.441 7.872 -3.324 1.00 0.00 C ATOM 342 C PRO A 25 -8.816 7.366 -2.901 1.00 0.00 C ATOM 343 O PRO A 25 -8.974 6.794 -1.823 1.00 0.00 O ATOM 344 CB PRO A 25 -6.961 7.133 -4.576 1.00 0.00 C ATOM 345 CG PRO A 25 -6.115 6.022 -4.058 1.00 0.00 C ATOM 346 CD PRO A 25 -5.459 6.547 -2.811 1.00 0.00 C ATOM 0 HA PRO A 25 -7.565 8.945 -3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.801 6.753 -5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.391 7.792 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.719 5.141 -3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.369 5.723 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.311 5.759 -2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.479 6.975 -3.022 1.00 0.00 H new ATOM 354 N LYS A 26 -9.810 7.581 -3.757 1.00 0.00 N ATOM 355 CA LYS A 26 -11.172 7.145 -3.473 1.00 0.00 C ATOM 356 C LYS A 26 -11.407 5.727 -3.984 1.00 0.00 C ATOM 357 O LYS A 26 -11.044 5.397 -5.112 1.00 0.00 O ATOM 358 CB LYS A 26 -12.179 8.103 -4.113 1.00 0.00 C ATOM 359 CG LYS A 26 -12.571 9.263 -3.214 1.00 0.00 C ATOM 360 CD LYS A 26 -13.377 8.792 -2.015 1.00 0.00 C ATOM 361 CE LYS A 26 -14.215 9.918 -1.429 1.00 0.00 C ATOM 362 NZ LYS A 26 -14.644 9.621 -0.034 1.00 0.00 N ATOM 0 H LYS A 26 -9.697 8.055 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.311 7.150 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.756 8.497 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -13.076 7.546 -4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.674 9.778 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.154 9.986 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.028 7.970 -2.313 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.703 8.404 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.640 10.844 -1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.094 10.079 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.213 10.412 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.214 8.751 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.805 9.492 0.567 1.00 0.00 H new ATOM 376 N GLU A 27 -12.019 4.895 -3.147 1.00 0.00 N ATOM 377 CA GLU A 27 -12.303 3.514 -3.516 1.00 0.00 C ATOM 378 C GLU A 27 -13.348 3.450 -4.625 1.00 0.00 C ATOM 379 O GLU A 27 -14.328 4.196 -4.633 1.00 0.00 O ATOM 380 CB GLU A 27 -12.788 2.726 -2.297 1.00 0.00 C ATOM 381 CG GLU A 27 -11.750 2.610 -1.194 1.00 0.00 C ATOM 382 CD GLU A 27 -11.602 3.890 -0.394 1.00 0.00 C ATOM 383 OE1 GLU A 27 -12.622 4.383 0.132 1.00 0.00 O ATOM 384 OE2 GLU A 27 -10.465 4.398 -0.294 1.00 0.00 O ATOM 0 H GLU A 27 -12.327 5.153 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.380 3.067 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.680 3.207 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.081 1.725 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.028 1.797 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.787 2.347 -1.632 1.00 0.00 H new ATOM 391 N PRO A 28 -13.137 2.539 -5.586 1.00 0.00 N ATOM 392 CA PRO A 28 -14.049 2.356 -6.719 1.00 0.00 C ATOM 393 C PRO A 28 -15.381 1.745 -6.297 1.00 0.00 C ATOM 394 O PRO A 28 -15.423 0.651 -5.735 1.00 0.00 O ATOM 395 CB PRO A 28 -13.288 1.396 -7.636 1.00 0.00 C ATOM 396 CG PRO A 28 -12.372 0.651 -6.728 1.00 0.00 C ATOM 397 CD PRO A 28 -11.990 1.616 -5.641 1.00 0.00 C ATOM 0 HA PRO A 28 -14.307 3.304 -7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.969 0.720 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.732 1.937 -8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.864 -0.229 -6.313 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.491 0.300 -7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.837 1.108 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.063 2.140 -5.876 1.00 0.00 H new ATOM 405 N SER A 29 -16.468 2.460 -6.572 1.00 0.00 N ATOM 406 CA SER A 29 -17.802 1.989 -6.218 1.00 0.00 C ATOM 407 C SER A 29 -18.319 0.994 -7.252 1.00 0.00 C ATOM 408 O SER A 29 -17.901 1.010 -8.409 1.00 0.00 O ATOM 409 CB SER A 29 -18.768 3.170 -6.102 1.00 0.00 C ATOM 410 OG SER A 29 -19.858 2.855 -5.253 1.00 0.00 O ATOM 0 H SER A 29 -16.451 3.367 -7.039 1.00 0.00 H new ATOM 0 HA SER A 29 -17.739 1.484 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 29 -18.239 4.040 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 29 -19.139 3.439 -7.091 1.00 0.00 H new ATOM 0 HG SER A 29 -20.460 3.626 -5.194 1.00 0.00 H new ATOM 416 N ASN A 30 -19.233 0.128 -6.826 1.00 0.00 N ATOM 417 CA ASN A 30 -19.808 -0.876 -7.714 1.00 0.00 C ATOM 418 C ASN A 30 -18.745 -1.868 -8.175 1.00 0.00 C ATOM 419 O ASN A 30 -18.621 -2.152 -9.366 1.00 0.00 O ATOM 420 CB ASN A 30 -20.454 -0.203 -8.927 1.00 0.00 C ATOM 421 CG ASN A 30 -21.142 -1.199 -9.841 1.00 0.00 C ATOM 422 OD1 ASN A 30 -20.592 -1.599 -10.867 1.00 0.00 O ATOM 423 ND2 ASN A 30 -22.352 -1.603 -9.472 1.00 0.00 N ATOM 0 H ASN A 30 -19.591 0.101 -5.871 1.00 0.00 H new ATOM 0 HA ASN A 30 -20.572 -1.421 -7.159 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -21.180 0.535 -8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.691 0.336 -9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -22.864 -2.272 -10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.769 -1.245 -8.613 1.00 0.00 H new ATOM 430 N TYR A 31 -17.980 -2.391 -7.223 1.00 0.00 N ATOM 431 CA TYR A 31 -16.925 -3.350 -7.531 1.00 0.00 C ATOM 432 C TYR A 31 -17.198 -4.693 -6.861 1.00 0.00 C ATOM 433 O TYR A 31 -16.274 -5.378 -6.420 1.00 0.00 O ATOM 434 CB TYR A 31 -15.567 -2.809 -7.081 1.00 0.00 C ATOM 435 CG TYR A 31 -14.846 -2.019 -8.150 1.00 0.00 C ATOM 436 CD1 TYR A 31 -15.541 -1.175 -9.007 1.00 0.00 C ATOM 437 CD2 TYR A 31 -13.468 -2.116 -8.301 1.00 0.00 C ATOM 438 CE1 TYR A 31 -14.886 -0.453 -9.985 1.00 0.00 C ATOM 439 CE2 TYR A 31 -12.804 -1.396 -9.275 1.00 0.00 C ATOM 440 CZ TYR A 31 -13.517 -0.566 -10.115 1.00 0.00 C ATOM 441 OH TYR A 31 -12.861 0.153 -11.087 1.00 0.00 O ATOM 0 H TYR A 31 -18.071 -2.167 -6.232 1.00 0.00 H new ATOM 0 HA TYR A 31 -16.909 -3.499 -8.611 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -15.710 -2.175 -6.206 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.938 -3.643 -6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -16.612 -1.082 -8.907 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -12.907 -2.765 -7.646 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.442 0.197 -10.645 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.732 -1.482 -9.378 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.901 -0.039 -11.044 1.00 0.00 H new ATOM 451 N ASP A 32 -18.471 -5.063 -6.789 1.00 0.00 N ATOM 452 CA ASP A 32 -18.867 -6.325 -6.175 1.00 0.00 C ATOM 453 C ASP A 32 -18.591 -7.497 -7.113 1.00 0.00 C ATOM 454 O ASP A 32 -19.511 -8.069 -7.697 1.00 0.00 O ATOM 455 CB ASP A 32 -20.351 -6.293 -5.803 1.00 0.00 C ATOM 456 CG ASP A 32 -20.768 -7.496 -4.981 1.00 0.00 C ATOM 457 OD1 ASP A 32 -20.180 -8.580 -5.176 1.00 0.00 O ATOM 458 OD2 ASP A 32 -21.682 -7.353 -4.142 1.00 0.00 O ATOM 0 H ASP A 32 -19.247 -4.507 -7.148 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.276 -6.460 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.562 -5.383 -5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.950 -6.253 -6.713 1.00 0.00 H new ATOM 463 N PHE A 33 -17.316 -7.848 -7.252 1.00 0.00 N ATOM 464 CA PHE A 33 -16.918 -8.949 -8.120 1.00 0.00 C ATOM 465 C PHE A 33 -16.027 -9.937 -7.372 1.00 0.00 C ATOM 466 O PHE A 33 -15.074 -10.478 -7.933 1.00 0.00 O ATOM 467 CB PHE A 33 -16.184 -8.416 -9.353 1.00 0.00 C ATOM 468 CG PHE A 33 -14.716 -8.192 -9.126 1.00 0.00 C ATOM 469 CD1 PHE A 33 -14.279 -7.292 -8.167 1.00 0.00 C ATOM 470 CD2 PHE A 33 -13.774 -8.881 -9.872 1.00 0.00 C ATOM 471 CE1 PHE A 33 -12.929 -7.084 -7.956 1.00 0.00 C ATOM 472 CE2 PHE A 33 -12.422 -8.678 -9.664 1.00 0.00 C ATOM 473 CZ PHE A 33 -11.999 -7.778 -8.706 1.00 0.00 C ATOM 0 H PHE A 33 -16.542 -7.386 -6.775 1.00 0.00 H new ATOM 0 HA PHE A 33 -17.820 -9.470 -8.440 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -16.313 -9.120 -10.175 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -16.643 -7.477 -9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.002 -6.747 -7.578 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -14.099 -9.584 -10.624 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.601 -6.380 -7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -11.697 -9.223 -10.251 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.944 -7.617 -8.543 1.00 0.00 H new ATOM 483 N SER A 34 -16.345 -10.166 -6.102 1.00 0.00 N ATOM 484 CA SER A 34 -15.572 -11.084 -5.274 1.00 0.00 C ATOM 485 C SER A 34 -16.388 -12.328 -4.936 1.00 0.00 C ATOM 486 O SER A 34 -15.983 -13.451 -5.238 1.00 0.00 O ATOM 487 CB SER A 34 -15.123 -10.390 -3.987 1.00 0.00 C ATOM 488 OG SER A 34 -14.214 -11.199 -3.261 1.00 0.00 O ATOM 0 H SER A 34 -17.133 -9.728 -5.624 1.00 0.00 H new ATOM 0 HA SER A 34 -14.691 -11.390 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.653 -9.437 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.992 -10.168 -3.368 1.00 0.00 H new ATOM 0 HG SER A 34 -13.941 -10.732 -2.444 1.00 0.00 H new ATOM 494 N GLY A 35 -17.540 -12.120 -4.306 1.00 0.00 N ATOM 495 CA GLY A 35 -18.395 -13.233 -3.937 1.00 0.00 C ATOM 496 C GLY A 35 -19.808 -13.077 -4.462 1.00 0.00 C ATOM 497 O GLY A 35 -20.080 -12.260 -5.342 1.00 0.00 O ATOM 0 H GLY A 35 -17.896 -11.201 -4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.968 -14.159 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.422 -13.322 -2.851 1.00 0.00 H new ATOM 501 N PRO A 36 -20.738 -13.877 -3.919 1.00 0.00 N ATOM 502 CA PRO A 36 -22.146 -13.844 -4.324 1.00 0.00 C ATOM 503 C PRO A 36 -22.847 -12.565 -3.880 1.00 0.00 C ATOM 504 O PRO A 36 -22.705 -12.133 -2.737 1.00 0.00 O ATOM 505 CB PRO A 36 -22.748 -15.058 -3.612 1.00 0.00 C ATOM 506 CG PRO A 36 -21.866 -15.282 -2.433 1.00 0.00 C ATOM 507 CD PRO A 36 -20.485 -14.875 -2.866 1.00 0.00 C ATOM 0 HA PRO A 36 -22.259 -13.868 -5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -23.777 -14.868 -3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -22.766 -15.931 -4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -22.198 -14.691 -1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.886 -16.327 -2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -19.913 -14.452 -2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -19.916 -15.724 -3.245 1.00 0.00 H new ATOM 515 N SER A 37 -23.604 -11.963 -4.793 1.00 0.00 N ATOM 516 CA SER A 37 -24.325 -10.731 -4.496 1.00 0.00 C ATOM 517 C SER A 37 -25.815 -11.003 -4.316 1.00 0.00 C ATOM 518 O SER A 37 -26.378 -11.887 -4.962 1.00 0.00 O ATOM 519 CB SER A 37 -24.113 -9.709 -5.615 1.00 0.00 C ATOM 520 OG SER A 37 -24.340 -8.390 -5.150 1.00 0.00 O ATOM 0 H SER A 37 -23.733 -12.309 -5.744 1.00 0.00 H new ATOM 0 HA SER A 37 -23.933 -10.325 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 37 -23.097 -9.792 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 37 -24.787 -9.927 -6.444 1.00 0.00 H new ATOM 0 HG SER A 37 -23.501 -8.014 -4.811 1.00 0.00 H new ATOM 526 N SER A 38 -26.448 -10.237 -3.433 1.00 0.00 N ATOM 527 CA SER A 38 -27.872 -10.397 -3.165 1.00 0.00 C ATOM 528 C SER A 38 -28.436 -9.161 -2.471 1.00 0.00 C ATOM 529 O SER A 38 -27.759 -8.525 -1.663 1.00 0.00 O ATOM 530 CB SER A 38 -28.114 -11.636 -2.300 1.00 0.00 C ATOM 531 OG SER A 38 -29.488 -11.780 -1.988 1.00 0.00 O ATOM 0 H SER A 38 -25.997 -9.500 -2.891 1.00 0.00 H new ATOM 0 HA SER A 38 -28.384 -10.523 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 38 -27.762 -12.524 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 38 -27.535 -11.559 -1.380 1.00 0.00 H new ATOM 0 HG SER A 38 -29.616 -12.580 -1.436 1.00 0.00 H new ATOM 537 N GLY A 39 -29.682 -8.826 -2.792 1.00 0.00 N ATOM 538 CA GLY A 39 -30.317 -7.668 -2.191 1.00 0.00 C ATOM 539 C GLY A 39 -30.431 -7.785 -0.684 1.00 0.00 C ATOM 540 O GLY A 39 -30.336 -8.881 -0.132 1.00 0.00 O ATOM 0 H GLY A 39 -30.263 -9.336 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -29.746 -6.774 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -31.311 -7.540 -2.619 1.00 0.00 H new ATOM 544 N ILE A 40 -30.633 -6.653 -0.018 1.00 0.00 N ATOM 545 CA ILE A 40 -30.759 -6.634 1.434 1.00 0.00 C ATOM 546 C ILE A 40 -32.163 -7.039 1.869 1.00 0.00 C ATOM 547 O ILE A 40 -32.435 -7.189 3.060 1.00 0.00 O ATOM 548 CB ILE A 40 -30.436 -5.243 2.009 1.00 0.00 C ATOM 549 CG1 ILE A 40 -31.491 -4.227 1.567 1.00 0.00 C ATOM 550 CG2 ILE A 40 -29.049 -4.798 1.572 1.00 0.00 C ATOM 551 CD1 ILE A 40 -32.753 -4.264 2.401 1.00 0.00 C ATOM 0 H ILE A 40 -30.713 -5.738 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 40 -30.039 -7.354 1.823 1.00 0.00 H new ATOM 0 HB ILE A 40 -30.450 -5.304 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -31.062 -3.226 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -31.749 -4.413 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -28.836 -3.813 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -28.308 -5.512 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -29.008 -4.750 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -33.456 -3.518 2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -33.205 -5.253 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -32.508 -4.048 3.441 1.00 0.00 H new ATOM 563 N GLU A 41 -33.051 -7.214 0.896 1.00 0.00 N ATOM 564 CA GLU A 41 -34.428 -7.602 1.179 1.00 0.00 C ATOM 565 C GLU A 41 -34.577 -9.121 1.177 1.00 0.00 C ATOM 566 O GLU A 41 -35.520 -9.663 0.603 1.00 0.00 O ATOM 567 CB GLU A 41 -35.378 -6.985 0.151 1.00 0.00 C ATOM 568 CG GLU A 41 -36.785 -6.761 0.679 1.00 0.00 C ATOM 569 CD GLU A 41 -37.622 -5.892 -0.240 1.00 0.00 C ATOM 570 OE1 GLU A 41 -37.491 -6.035 -1.474 1.00 0.00 O ATOM 571 OE2 GLU A 41 -38.408 -5.070 0.275 1.00 0.00 O ATOM 0 H GLU A 41 -32.842 -7.093 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 41 -34.686 -7.230 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -34.969 -6.032 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -35.426 -7.635 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -37.278 -7.725 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -36.730 -6.295 1.663 1.00 0.00 H new ATOM 578 N GLY A 42 -33.636 -9.803 1.824 1.00 0.00 N ATOM 579 CA GLY A 42 -33.679 -11.252 1.884 1.00 0.00 C ATOM 580 C GLY A 42 -32.874 -11.809 3.042 1.00 0.00 C ATOM 581 O GLY A 42 -31.811 -11.285 3.376 1.00 0.00 O ATOM 0 H GLY A 42 -32.845 -9.377 2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -34.715 -11.578 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -33.297 -11.663 0.949 1.00 0.00 H new ATOM 585 N ARG A 43 -33.382 -12.872 3.657 1.00 0.00 N ATOM 586 CA ARG A 43 -32.704 -13.498 4.785 1.00 0.00 C ATOM 587 C ARG A 43 -31.244 -13.788 4.450 1.00 0.00 C ATOM 588 O ARG A 43 -30.344 -13.478 5.229 1.00 0.00 O ATOM 589 CB ARG A 43 -33.415 -14.793 5.180 1.00 0.00 C ATOM 590 CG ARG A 43 -32.660 -15.612 6.215 1.00 0.00 C ATOM 591 CD ARG A 43 -32.788 -15.008 7.605 1.00 0.00 C ATOM 592 NE ARG A 43 -34.089 -15.290 8.206 1.00 0.00 N ATOM 593 CZ ARG A 43 -34.411 -16.461 8.745 1.00 0.00 C ATOM 594 NH1 ARG A 43 -33.532 -17.453 8.758 1.00 0.00 N ATOM 595 NH2 ARG A 43 -35.615 -16.641 9.272 1.00 0.00 N ATOM 0 H ARG A 43 -34.261 -13.317 3.393 1.00 0.00 H new ATOM 0 HA ARG A 43 -32.735 -12.804 5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -34.403 -14.550 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -33.566 -15.401 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -33.044 -16.632 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -31.607 -15.670 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -31.999 -15.402 8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -32.642 -13.929 7.547 1.00 0.00 H new ATOM 0 HE ARG A 43 -34.788 -14.548 8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -32.605 -17.319 8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -33.782 -18.351 9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -36.294 -15.880 9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -35.861 -17.540 9.686 1.00 0.00 H new ATOM 609 N GLY A 44 -31.018 -14.387 3.284 1.00 0.00 N ATOM 610 CA GLY A 44 -29.666 -14.710 2.866 1.00 0.00 C ATOM 611 C GLY A 44 -29.629 -15.808 1.822 1.00 0.00 C ATOM 612 O GLY A 44 -30.363 -15.760 0.835 1.00 0.00 O ATOM 0 H GLY A 44 -31.747 -14.654 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -29.189 -13.815 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -29.084 -15.019 3.735 1.00 0.00 H new ATOM 616 N SER A 45 -28.769 -16.798 2.037 1.00 0.00 N ATOM 617 CA SER A 45 -28.635 -17.910 1.103 1.00 0.00 C ATOM 618 C SER A 45 -28.944 -19.237 1.790 1.00 0.00 C ATOM 619 O SER A 45 -28.978 -19.320 3.018 1.00 0.00 O ATOM 620 CB SER A 45 -27.222 -17.944 0.517 1.00 0.00 C ATOM 621 OG SER A 45 -27.222 -18.510 -0.782 1.00 0.00 O ATOM 0 H SER A 45 -28.155 -16.853 2.849 1.00 0.00 H new ATOM 0 HA SER A 45 -29.353 -17.762 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 45 -26.817 -16.933 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 45 -26.568 -18.523 1.169 1.00 0.00 H new ATOM 0 HG SER A 45 -26.308 -18.519 -1.135 1.00 0.00 H new ATOM 627 N SER A 46 -29.170 -20.273 0.989 1.00 0.00 N ATOM 628 CA SER A 46 -29.480 -21.596 1.518 1.00 0.00 C ATOM 629 C SER A 46 -28.351 -22.578 1.221 1.00 0.00 C ATOM 630 O SER A 46 -27.939 -23.348 2.088 1.00 0.00 O ATOM 631 CB SER A 46 -30.791 -22.112 0.921 1.00 0.00 C ATOM 632 OG SER A 46 -31.909 -21.589 1.617 1.00 0.00 O ATOM 0 H SER A 46 -29.144 -20.222 -0.029 1.00 0.00 H new ATOM 0 HA SER A 46 -29.589 -21.512 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 46 -30.850 -21.832 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 46 -30.810 -23.201 0.963 1.00 0.00 H new ATOM 0 HG SER A 46 -32.734 -21.932 1.215 1.00 0.00 H new ATOM 638 N GLY A 47 -27.855 -22.545 -0.012 1.00 0.00 N ATOM 639 CA GLY A 47 -26.779 -23.437 -0.403 1.00 0.00 C ATOM 640 C GLY A 47 -25.435 -22.738 -0.450 1.00 0.00 C ATOM 641 O GLY A 47 -25.043 -22.068 0.505 1.00 0.00 O ATOM 0 H GLY A 47 -28.179 -21.917 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -26.728 -24.269 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -27.000 -23.860 -1.383 1.00 0.00 H new ATOM 645 N SER A 48 -24.726 -22.896 -1.563 1.00 0.00 N ATOM 646 CA SER A 48 -23.415 -22.279 -1.728 1.00 0.00 C ATOM 647 C SER A 48 -23.166 -21.915 -3.189 1.00 0.00 C ATOM 648 O SER A 48 -23.954 -22.260 -4.069 1.00 0.00 O ATOM 649 CB SER A 48 -22.318 -23.222 -1.232 1.00 0.00 C ATOM 650 OG SER A 48 -21.170 -22.498 -0.821 1.00 0.00 O ATOM 0 H SER A 48 -25.037 -23.446 -2.364 1.00 0.00 H new ATOM 0 HA SER A 48 -23.394 -21.365 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 48 -22.694 -23.817 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 48 -22.047 -23.919 -2.025 1.00 0.00 H new ATOM 0 HG SER A 48 -20.484 -23.123 -0.507 1.00 0.00 H new ATOM 656 N SER A 49 -22.064 -21.215 -3.438 1.00 0.00 N ATOM 657 CA SER A 49 -21.712 -20.800 -4.791 1.00 0.00 C ATOM 658 C SER A 49 -20.292 -20.242 -4.836 1.00 0.00 C ATOM 659 O SER A 49 -19.717 -19.895 -3.805 1.00 0.00 O ATOM 660 CB SER A 49 -22.701 -19.749 -5.299 1.00 0.00 C ATOM 661 OG SER A 49 -22.527 -19.513 -6.685 1.00 0.00 O ATOM 0 H SER A 49 -21.400 -20.923 -2.721 1.00 0.00 H new ATOM 0 HA SER A 49 -21.761 -21.676 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 49 -23.721 -20.083 -5.109 1.00 0.00 H new ATOM 0 HB3 SER A 49 -22.563 -18.819 -4.748 1.00 0.00 H new ATOM 0 HG SER A 49 -23.172 -18.839 -6.986 1.00 0.00 H new ATOM 667 N GLY A 50 -19.734 -20.159 -6.039 1.00 0.00 N ATOM 668 CA GLY A 50 -18.386 -19.643 -6.198 1.00 0.00 C ATOM 669 C GLY A 50 -18.066 -19.291 -7.637 1.00 0.00 C ATOM 670 O GLY A 50 -18.861 -19.553 -8.539 1.00 0.00 O ATOM 0 H GLY A 50 -20.191 -20.440 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -18.263 -18.757 -5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.672 -20.385 -5.841 1.00 0.00 H new ATOM 674 N SER A 51 -16.898 -18.695 -7.852 1.00 0.00 N ATOM 675 CA SER A 51 -16.476 -18.301 -9.192 1.00 0.00 C ATOM 676 C SER A 51 -15.012 -18.661 -9.428 1.00 0.00 C ATOM 677 O SER A 51 -14.301 -19.055 -8.503 1.00 0.00 O ATOM 678 CB SER A 51 -16.682 -16.799 -9.393 1.00 0.00 C ATOM 679 OG SER A 51 -18.055 -16.491 -9.565 1.00 0.00 O ATOM 0 H SER A 51 -16.227 -18.474 -7.116 1.00 0.00 H new ATOM 0 HA SER A 51 -17.087 -18.844 -9.913 1.00 0.00 H new ATOM 0 HB2 SER A 51 -16.289 -16.257 -8.533 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.119 -16.465 -10.265 1.00 0.00 H new ATOM 0 HG SER A 51 -18.160 -15.525 -9.690 1.00 0.00 H new ATOM 685 N SER A 52 -14.569 -18.524 -10.674 1.00 0.00 N ATOM 686 CA SER A 52 -13.192 -18.837 -11.034 1.00 0.00 C ATOM 687 C SER A 52 -12.589 -17.730 -11.893 1.00 0.00 C ATOM 688 O SER A 52 -13.287 -16.813 -12.323 1.00 0.00 O ATOM 689 CB SER A 52 -13.129 -20.170 -11.783 1.00 0.00 C ATOM 690 OG SER A 52 -11.812 -20.692 -11.786 1.00 0.00 O ATOM 0 H SER A 52 -15.144 -18.198 -11.451 1.00 0.00 H new ATOM 0 HA SER A 52 -12.612 -18.916 -10.115 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.806 -20.885 -11.316 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.471 -20.031 -12.809 1.00 0.00 H new ATOM 0 HG SER A 52 -11.799 -21.545 -12.269 1.00 0.00 H new ATOM 696 N GLY A 53 -11.286 -17.824 -12.139 1.00 0.00 N ATOM 697 CA GLY A 53 -10.609 -16.824 -12.946 1.00 0.00 C ATOM 698 C GLY A 53 -9.475 -17.409 -13.763 1.00 0.00 C ATOM 699 O GLY A 53 -9.320 -18.628 -13.839 1.00 0.00 O ATOM 0 H GLY A 53 -10.687 -18.574 -11.794 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.329 -16.353 -13.615 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.218 -16.041 -12.296 1.00 0.00 H new ATOM 703 N SER A 54 -8.681 -16.539 -14.379 1.00 0.00 N ATOM 704 CA SER A 54 -7.558 -16.976 -15.200 1.00 0.00 C ATOM 705 C SER A 54 -6.607 -15.818 -15.481 1.00 0.00 C ATOM 706 O SER A 54 -7.018 -14.658 -15.521 1.00 0.00 O ATOM 707 CB SER A 54 -8.063 -17.568 -16.517 1.00 0.00 C ATOM 708 OG SER A 54 -7.140 -18.507 -17.041 1.00 0.00 O ATOM 0 H SER A 54 -8.795 -15.527 -14.325 1.00 0.00 H new ATOM 0 HA SER A 54 -7.014 -17.743 -14.649 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.027 -18.051 -16.356 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.224 -16.769 -17.241 1.00 0.00 H new ATOM 0 HG SER A 54 -7.487 -18.872 -17.882 1.00 0.00 H new ATOM 714 N SER A 55 -5.332 -16.140 -15.675 1.00 0.00 N ATOM 715 CA SER A 55 -4.320 -15.127 -15.948 1.00 0.00 C ATOM 716 C SER A 55 -3.275 -15.654 -16.927 1.00 0.00 C ATOM 717 O SER A 55 -2.972 -16.846 -16.948 1.00 0.00 O ATOM 718 CB SER A 55 -3.642 -14.688 -14.648 1.00 0.00 C ATOM 719 OG SER A 55 -4.481 -13.823 -13.903 1.00 0.00 O ATOM 0 H SER A 55 -4.975 -17.095 -15.648 1.00 0.00 H new ATOM 0 HA SER A 55 -4.815 -14.267 -16.399 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.394 -15.564 -14.049 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.704 -14.182 -14.876 1.00 0.00 H new ATOM 0 HG SER A 55 -5.366 -13.785 -14.322 1.00 0.00 H new ATOM 725 N GLY A 56 -2.725 -14.754 -17.738 1.00 0.00 N ATOM 726 CA GLY A 56 -1.720 -15.146 -18.708 1.00 0.00 C ATOM 727 C GLY A 56 -0.343 -15.290 -18.091 1.00 0.00 C ATOM 728 O GLY A 56 0.624 -14.698 -18.570 1.00 0.00 O ATOM 0 H GLY A 56 -2.958 -13.761 -17.740 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.010 -16.092 -19.165 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.681 -14.405 -19.506 1.00 0.00 H new ATOM 732 N ASP A 57 -0.254 -16.077 -17.024 1.00 0.00 N ATOM 733 CA ASP A 57 1.014 -16.297 -16.340 1.00 0.00 C ATOM 734 C ASP A 57 1.852 -15.022 -16.326 1.00 0.00 C ATOM 735 O ASP A 57 3.066 -15.062 -16.528 1.00 0.00 O ATOM 736 CB ASP A 57 1.793 -17.427 -17.015 1.00 0.00 C ATOM 737 CG ASP A 57 1.434 -18.790 -16.459 1.00 0.00 C ATOM 738 OD1 ASP A 57 1.713 -19.037 -15.266 1.00 0.00 O ATOM 739 OD2 ASP A 57 0.875 -19.611 -17.215 1.00 0.00 O ATOM 0 H ASP A 57 -1.046 -16.573 -16.614 1.00 0.00 H new ATOM 0 HA ASP A 57 0.799 -16.580 -15.310 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.595 -17.411 -18.087 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.862 -17.255 -16.886 1.00 0.00 H new ATOM 744 N LYS A 58 1.196 -13.892 -16.086 1.00 0.00 N ATOM 745 CA LYS A 58 1.879 -12.604 -16.045 1.00 0.00 C ATOM 746 C LYS A 58 1.555 -11.857 -14.756 1.00 0.00 C ATOM 747 O LYS A 58 0.637 -11.038 -14.717 1.00 0.00 O ATOM 748 CB LYS A 58 1.481 -11.754 -17.254 1.00 0.00 C ATOM 749 CG LYS A 58 2.363 -11.974 -18.470 1.00 0.00 C ATOM 750 CD LYS A 58 1.599 -11.744 -19.763 1.00 0.00 C ATOM 751 CE LYS A 58 2.538 -11.634 -20.954 1.00 0.00 C ATOM 752 NZ LYS A 58 1.869 -12.023 -22.226 1.00 0.00 N ATOM 0 H LYS A 58 0.191 -13.842 -15.917 1.00 0.00 H new ATOM 0 HA LYS A 58 2.953 -12.789 -16.076 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.448 -11.977 -17.520 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.518 -10.701 -16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.218 -11.300 -18.427 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.757 -12.990 -18.455 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.900 -12.564 -19.924 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.007 -10.832 -19.680 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.904 -10.610 -21.035 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.407 -12.271 -20.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.542 -11.934 -23.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.542 -13.008 -22.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.055 -11.399 -22.395 1.00 0.00 H new ATOM 766 N GLU A 59 2.315 -12.145 -13.703 1.00 0.00 N ATOM 767 CA GLU A 59 2.107 -11.499 -12.413 1.00 0.00 C ATOM 768 C GLU A 59 3.227 -10.506 -12.115 1.00 0.00 C ATOM 769 O GLU A 59 4.343 -10.644 -12.616 1.00 0.00 O ATOM 770 CB GLU A 59 2.030 -12.546 -11.300 1.00 0.00 C ATOM 771 CG GLU A 59 0.657 -13.179 -11.155 1.00 0.00 C ATOM 772 CD GLU A 59 0.721 -14.591 -10.603 1.00 0.00 C ATOM 773 OE1 GLU A 59 1.290 -15.469 -11.283 1.00 0.00 O ATOM 774 OE2 GLU A 59 0.201 -14.816 -9.490 1.00 0.00 O ATOM 0 H GLU A 59 3.079 -12.821 -13.719 1.00 0.00 H new ATOM 0 HA GLU A 59 1.164 -10.955 -12.456 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.763 -13.329 -11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.308 -12.080 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.045 -12.563 -10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.164 -13.195 -12.127 1.00 0.00 H new ATOM 781 N ARG A 60 2.920 -9.504 -11.297 1.00 0.00 N ATOM 782 CA ARG A 60 3.899 -8.487 -10.933 1.00 0.00 C ATOM 783 C ARG A 60 4.295 -8.613 -9.465 1.00 0.00 C ATOM 784 O ARG A 60 3.449 -8.843 -8.601 1.00 0.00 O ATOM 785 CB ARG A 60 3.338 -7.090 -11.203 1.00 0.00 C ATOM 786 CG ARG A 60 4.404 -6.060 -11.538 1.00 0.00 C ATOM 787 CD ARG A 60 3.804 -4.835 -12.211 1.00 0.00 C ATOM 788 NE ARG A 60 4.817 -4.034 -12.893 1.00 0.00 N ATOM 789 CZ ARG A 60 4.622 -2.778 -13.280 1.00 0.00 C ATOM 790 NH1 ARG A 60 3.458 -2.184 -13.055 1.00 0.00 N ATOM 791 NH2 ARG A 60 5.592 -2.114 -13.895 1.00 0.00 N ATOM 0 H ARG A 60 2.001 -9.375 -10.874 1.00 0.00 H new ATOM 0 HA ARG A 60 4.788 -8.639 -11.545 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.627 -7.146 -12.028 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.784 -6.755 -10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.920 -5.759 -10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.151 -6.508 -12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.047 -5.150 -12.929 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.299 -4.222 -11.464 1.00 0.00 H new ATOM 0 HE ARG A 60 5.723 -4.462 -13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.709 -2.691 -12.584 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.311 -1.220 -13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.488 -2.568 -14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.441 -1.150 -14.192 1.00 0.00 H new ATOM 805 N HIS A 61 5.587 -8.462 -9.191 1.00 0.00 N ATOM 806 CA HIS A 61 6.095 -8.559 -7.827 1.00 0.00 C ATOM 807 C HIS A 61 6.175 -7.181 -7.178 1.00 0.00 C ATOM 808 O HIS A 61 6.881 -6.297 -7.660 1.00 0.00 O ATOM 809 CB HIS A 61 7.474 -9.220 -7.820 1.00 0.00 C ATOM 810 CG HIS A 61 7.751 -10.014 -6.581 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.764 -9.704 -5.698 1.00 0.00 N ATOM 812 CD2 HIS A 61 7.140 -11.112 -6.078 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.765 -10.577 -4.707 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.788 -11.442 -4.914 1.00 0.00 N ATOM 0 H HIS A 61 6.301 -8.272 -9.895 1.00 0.00 H new ATOM 0 HA HIS A 61 5.403 -9.173 -7.250 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.559 -9.874 -8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.238 -8.450 -7.926 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.299 -11.632 -6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.448 -10.583 -3.870 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.553 -12.228 -4.307 1.00 0.00 H new ATOM 823 N GLY A 62 5.445 -7.005 -6.080 1.00 0.00 N ATOM 824 CA GLY A 62 5.447 -5.732 -5.384 1.00 0.00 C ATOM 825 C GLY A 62 5.733 -5.882 -3.902 1.00 0.00 C ATOM 826 O GLY A 62 5.713 -6.991 -3.368 1.00 0.00 O ATOM 0 H GLY A 62 4.853 -7.722 -5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.196 -5.078 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.480 -5.247 -5.517 1.00 0.00 H new ATOM 830 N VAL A 63 6.003 -4.763 -3.237 1.00 0.00 N ATOM 831 CA VAL A 63 6.295 -4.775 -1.809 1.00 0.00 C ATOM 832 C VAL A 63 5.664 -3.576 -1.109 1.00 0.00 C ATOM 833 O VAL A 63 5.811 -2.438 -1.553 1.00 0.00 O ATOM 834 CB VAL A 63 7.813 -4.769 -1.546 1.00 0.00 C ATOM 835 CG1 VAL A 63 8.108 -4.305 -0.128 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.402 -6.149 -1.798 1.00 0.00 C ATOM 0 H VAL A 63 6.025 -3.837 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 63 5.868 -5.693 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 63 8.281 -4.067 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.185 -4.307 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.721 -3.296 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.629 -4.979 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.475 -6.127 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.930 -6.873 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.223 -6.437 -2.834 1.00 0.00 H new ATOM 846 N ALA A 64 4.963 -3.840 -0.012 1.00 0.00 N ATOM 847 CA ALA A 64 4.312 -2.783 0.751 1.00 0.00 C ATOM 848 C ALA A 64 5.339 -1.880 1.426 1.00 0.00 C ATOM 849 O ALA A 64 6.285 -2.360 2.051 1.00 0.00 O ATOM 850 CB ALA A 64 3.372 -3.382 1.787 1.00 0.00 C ATOM 0 H ALA A 64 4.831 -4.777 0.368 1.00 0.00 H new ATOM 0 HA ALA A 64 3.731 -2.174 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.893 -2.581 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.611 -3.979 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.939 -4.016 2.469 1.00 0.00 H new ATOM 856 N ILE A 65 5.148 -0.572 1.294 1.00 0.00 N ATOM 857 CA ILE A 65 6.058 0.397 1.891 1.00 0.00 C ATOM 858 C ILE A 65 5.385 1.154 3.031 1.00 0.00 C ATOM 859 O ILE A 65 6.055 1.720 3.895 1.00 0.00 O ATOM 860 CB ILE A 65 6.567 1.409 0.848 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.396 1.981 0.047 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.579 0.751 -0.079 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.814 2.997 -0.993 1.00 0.00 C ATOM 0 H ILE A 65 4.371 -0.159 0.779 1.00 0.00 H new ATOM 0 HA ILE A 65 6.905 -0.166 2.282 1.00 0.00 H new ATOM 0 HB ILE A 65 7.061 2.229 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.870 1.164 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.689 2.446 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.929 1.479 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.425 0.387 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.109 -0.085 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.933 3.360 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.314 3.833 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.497 2.531 -1.703 1.00 0.00 H new ATOM 875 N TYR A 66 4.057 1.159 3.027 1.00 0.00 N ATOM 876 CA TYR A 66 3.292 1.847 4.060 1.00 0.00 C ATOM 877 C TYR A 66 2.244 0.921 4.670 1.00 0.00 C ATOM 878 O TYR A 66 1.572 0.173 3.960 1.00 0.00 O ATOM 879 CB TYR A 66 2.616 3.090 3.481 1.00 0.00 C ATOM 880 CG TYR A 66 3.590 4.153 3.026 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.548 4.663 3.894 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.553 4.647 1.728 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.439 5.635 3.483 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.442 5.618 1.308 1.00 0.00 C ATOM 885 CZ TYR A 66 5.383 6.109 2.189 1.00 0.00 C ATOM 886 OH TYR A 66 6.270 7.076 1.775 1.00 0.00 O ATOM 0 H TYR A 66 3.488 0.694 2.320 1.00 0.00 H new ATOM 0 HA TYR A 66 3.983 2.151 4.846 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.993 2.794 2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.952 3.516 4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.597 4.293 4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.817 4.266 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.176 6.022 4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.400 5.991 0.295 1.00 0.00 H new ATOM 0 HH TYR A 66 6.097 7.299 0.836 1.00 0.00 H new ATOM 896 N ASN A 67 2.109 0.978 5.991 1.00 0.00 N ATOM 897 CA ASN A 67 1.142 0.145 6.697 1.00 0.00 C ATOM 898 C ASN A 67 -0.285 0.532 6.323 1.00 0.00 C ATOM 899 O ASN A 67 -0.765 1.606 6.685 1.00 0.00 O ATOM 900 CB ASN A 67 1.337 0.273 8.209 1.00 0.00 C ATOM 901 CG ASN A 67 1.658 1.693 8.633 1.00 0.00 C ATOM 902 OD1 ASN A 67 2.483 1.831 9.665 1.00 0.00 O flip ATOM 903 ND2 ASN A 67 1.170 2.655 8.040 1.00 0.00 N flip ATOM 0 H ASN A 67 2.657 1.592 6.594 1.00 0.00 H new ATOM 0 HA ASN A 67 1.308 -0.891 6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.433 -0.060 8.719 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.143 -0.389 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.541 2.503 7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.395 3.605 8.337 1.00 0.00 H new ATOM 910 N PHE A 68 -0.960 -0.352 5.595 1.00 0.00 N ATOM 911 CA PHE A 68 -2.333 -0.104 5.170 1.00 0.00 C ATOM 912 C PHE A 68 -3.311 -0.971 5.958 1.00 0.00 C ATOM 913 O PHE A 68 -3.166 -2.191 6.016 1.00 0.00 O ATOM 914 CB PHE A 68 -2.483 -0.378 3.672 1.00 0.00 C ATOM 915 CG PHE A 68 -3.865 -0.108 3.150 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.394 1.173 3.182 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.635 -1.133 2.624 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.666 1.424 2.702 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.907 -0.888 2.143 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.422 0.393 2.181 1.00 0.00 C ATOM 0 H PHE A 68 -0.578 -1.246 5.287 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.564 0.943 5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.770 0.238 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.225 -1.418 3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.806 1.984 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.236 -2.136 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.068 2.426 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.497 -1.697 1.738 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.415 0.588 1.804 1.00 0.00 H new ATOM 930 N GLN A 69 -4.305 -0.330 6.563 1.00 0.00 N ATOM 931 CA GLN A 69 -5.306 -1.041 7.349 1.00 0.00 C ATOM 932 C GLN A 69 -6.678 -0.959 6.687 1.00 0.00 C ATOM 933 O GLN A 69 -7.327 0.086 6.709 1.00 0.00 O ATOM 934 CB GLN A 69 -5.375 -0.469 8.765 1.00 0.00 C ATOM 935 CG GLN A 69 -6.197 -1.315 9.724 1.00 0.00 C ATOM 936 CD GLN A 69 -6.034 -0.884 11.169 1.00 0.00 C ATOM 937 OE1 GLN A 69 -5.414 0.140 11.457 1.00 0.00 O ATOM 938 NE2 GLN A 69 -6.592 -1.666 12.086 1.00 0.00 N ATOM 0 H GLN A 69 -4.439 0.680 6.524 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.011 -2.089 7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.363 -0.370 9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.800 0.534 8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.249 -1.253 9.447 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.902 -2.360 9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.097 -2.505 11.802 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.516 -1.427 13.075 1.00 0.00 H new ATOM 947 N GLY A 70 -7.113 -2.068 6.097 1.00 0.00 N ATOM 948 CA GLY A 70 -8.405 -2.099 5.436 1.00 0.00 C ATOM 949 C GLY A 70 -9.535 -2.436 6.388 1.00 0.00 C ATOM 950 O GLY A 70 -9.311 -2.639 7.581 1.00 0.00 O ATOM 0 H GLY A 70 -6.594 -2.946 6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.598 -1.130 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.381 -2.834 4.631 1.00 0.00 H new ATOM 954 N SER A 71 -10.754 -2.494 5.860 1.00 0.00 N ATOM 955 CA SER A 71 -11.924 -2.803 6.673 1.00 0.00 C ATOM 956 C SER A 71 -12.569 -4.110 6.221 1.00 0.00 C ATOM 957 O SER A 71 -13.073 -4.881 7.037 1.00 0.00 O ATOM 958 CB SER A 71 -12.943 -1.664 6.592 1.00 0.00 C ATOM 959 OG SER A 71 -14.078 -1.937 7.395 1.00 0.00 O ATOM 0 H SER A 71 -10.956 -2.331 4.874 1.00 0.00 H new ATOM 0 HA SER A 71 -11.598 -2.917 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.479 -0.733 6.917 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.252 -1.521 5.557 1.00 0.00 H new ATOM 0 HG SER A 71 -14.713 -1.194 7.327 1.00 0.00 H new ATOM 965 N GLY A 72 -12.549 -4.352 4.914 1.00 0.00 N ATOM 966 CA GLY A 72 -13.135 -5.566 4.375 1.00 0.00 C ATOM 967 C GLY A 72 -13.186 -5.562 2.860 1.00 0.00 C ATOM 968 O GLY A 72 -13.297 -4.505 2.239 1.00 0.00 O ATOM 0 H GLY A 72 -12.138 -3.729 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.557 -6.426 4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.144 -5.685 4.769 1.00 0.00 H new ATOM 972 N ALA A 73 -13.103 -6.746 2.264 1.00 0.00 N ATOM 973 CA ALA A 73 -13.140 -6.875 0.812 1.00 0.00 C ATOM 974 C ALA A 73 -14.176 -5.935 0.205 1.00 0.00 C ATOM 975 O ALA A 73 -15.157 -5.557 0.844 1.00 0.00 O ATOM 976 CB ALA A 73 -13.436 -8.315 0.418 1.00 0.00 C ATOM 0 H ALA A 73 -13.010 -7.630 2.764 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.161 -6.597 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.461 -8.397 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.658 -8.968 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.402 -8.613 0.826 1.00 0.00 H new ATOM 982 N PRO A 74 -13.954 -5.548 -1.060 1.00 0.00 N ATOM 983 CA PRO A 74 -12.789 -5.991 -1.831 1.00 0.00 C ATOM 984 C PRO A 74 -11.487 -5.387 -1.314 1.00 0.00 C ATOM 985 O PRO A 74 -10.406 -5.708 -1.807 1.00 0.00 O ATOM 986 CB PRO A 74 -13.087 -5.488 -3.246 1.00 0.00 C ATOM 987 CG PRO A 74 -13.998 -4.325 -3.050 1.00 0.00 C ATOM 988 CD PRO A 74 -14.823 -4.646 -1.835 1.00 0.00 C ATOM 0 HA PRO A 74 -12.646 -7.070 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.173 -5.193 -3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.558 -6.263 -3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.431 -3.405 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.632 -4.174 -3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.074 -3.748 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.764 -5.127 -2.104 1.00 0.00 H new ATOM 996 N GLN A 75 -11.600 -4.514 -0.319 1.00 0.00 N ATOM 997 CA GLN A 75 -10.431 -3.865 0.263 1.00 0.00 C ATOM 998 C GLN A 75 -9.608 -4.858 1.078 1.00 0.00 C ATOM 999 O GLN A 75 -10.136 -5.548 1.952 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.859 -2.693 1.147 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.046 -1.392 0.383 1.00 0.00 C ATOM 1002 CD GLN A 75 -11.380 -0.224 1.291 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -12.577 0.328 1.130 1.00 0.00 O flip ATOM 1004 NE2 GLN A 75 -10.571 0.177 2.128 1.00 0.00 N flip ATOM 0 H GLN A 75 -12.488 -4.240 0.101 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.812 -3.489 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.793 -2.948 1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.111 -2.543 1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.135 -1.167 -0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.843 -1.517 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.662 -0.277 2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.810 0.963 2.732 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.314 -4.924 0.788 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.417 -5.833 1.494 1.00 0.00 C ATOM 1015 C LEU A 76 -6.337 -5.059 2.244 1.00 0.00 C ATOM 1016 O LEU A 76 -5.784 -4.088 1.728 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.770 -6.809 0.510 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.556 -7.580 1.030 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.997 -8.782 1.851 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.668 -8.018 -0.126 1.00 0.00 C ATOM 0 H LEU A 76 -7.862 -4.359 0.069 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.006 -6.395 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.525 -7.529 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.469 -6.253 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.979 -6.918 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.119 -9.318 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.591 -8.444 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.597 -9.446 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.809 -8.565 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.236 -8.663 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.322 -7.140 -0.672 1.00 0.00 H new ATOM 1032 N SER A 77 -6.041 -5.497 3.463 1.00 0.00 N ATOM 1033 CA SER A 77 -5.028 -4.844 4.285 1.00 0.00 C ATOM 1034 C SER A 77 -3.625 -5.236 3.831 1.00 0.00 C ATOM 1035 O SER A 77 -3.449 -6.190 3.071 1.00 0.00 O ATOM 1036 CB SER A 77 -5.221 -5.212 5.757 1.00 0.00 C ATOM 1037 OG SER A 77 -5.010 -6.597 5.969 1.00 0.00 O ATOM 0 H SER A 77 -6.488 -6.301 3.904 1.00 0.00 H new ATOM 0 HA SER A 77 -5.141 -3.766 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.529 -4.637 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.229 -4.942 6.073 1.00 0.00 H new ATOM 0 HG SER A 77 -5.138 -6.806 6.918 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.629 -4.493 4.301 1.00 0.00 N ATOM 1044 CA LEU A 78 -1.241 -4.761 3.944 1.00 0.00 C ATOM 1045 C LEU A 78 -0.299 -4.339 5.067 1.00 0.00 C ATOM 1046 O LEU A 78 -0.647 -3.502 5.900 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.874 -4.027 2.653 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.287 -4.714 1.351 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -0.842 -3.893 0.150 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.707 -6.119 1.282 1.00 0.00 C ATOM 0 H LEU A 78 -2.757 -3.700 4.930 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.133 -5.834 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.330 -3.037 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.206 -3.880 2.636 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.374 -4.790 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.144 -4.397 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.305 -2.907 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.243 -3.786 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.011 -6.593 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.381 -6.066 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.075 -6.706 2.124 1.00 0.00 H new ATOM 1062 N GLN A 79 0.895 -4.923 5.082 1.00 0.00 N ATOM 1063 CA GLN A 79 1.887 -4.606 6.103 1.00 0.00 C ATOM 1064 C GLN A 79 3.232 -4.266 5.468 1.00 0.00 C ATOM 1065 O GLN A 79 3.691 -4.956 4.558 1.00 0.00 O ATOM 1066 CB GLN A 79 2.049 -5.781 7.069 1.00 0.00 C ATOM 1067 CG GLN A 79 1.033 -5.782 8.200 1.00 0.00 C ATOM 1068 CD GLN A 79 0.864 -7.151 8.830 1.00 0.00 C ATOM 1069 OE1 GLN A 79 1.120 -8.175 8.196 1.00 0.00 O ATOM 1070 NE2 GLN A 79 0.430 -7.175 10.085 1.00 0.00 N ATOM 0 H GLN A 79 1.199 -5.617 4.399 1.00 0.00 H new ATOM 0 HA GLN A 79 1.536 -3.735 6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.961 -6.714 6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.053 -5.756 7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.345 -5.070 8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.071 -5.440 7.819 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.230 -6.302 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.297 -8.067 10.562 1.00 0.00 H new ATOM 1079 N ILE A 80 3.856 -3.198 5.953 1.00 0.00 N ATOM 1080 CA ILE A 80 5.148 -2.768 5.433 1.00 0.00 C ATOM 1081 C ILE A 80 6.121 -3.938 5.340 1.00 0.00 C ATOM 1082 O ILE A 80 6.284 -4.701 6.292 1.00 0.00 O ATOM 1083 CB ILE A 80 5.770 -1.666 6.311 1.00 0.00 C ATOM 1084 CG1 ILE A 80 4.814 -0.477 6.428 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.107 -1.223 5.738 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.315 0.613 7.351 1.00 0.00 C ATOM 0 H ILE A 80 3.488 -2.615 6.705 1.00 0.00 H new ATOM 0 HA ILE A 80 4.969 -2.368 4.435 1.00 0.00 H new ATOM 0 HB ILE A 80 5.941 -2.070 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.649 -0.055 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.848 -0.832 6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.533 -0.444 6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.787 -2.074 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.960 -0.833 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.587 1.424 7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.453 0.206 8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.266 0.995 6.980 1.00 0.00 H new ATOM 1098 N GLY A 81 6.769 -4.073 4.187 1.00 0.00 N ATOM 1099 CA GLY A 81 7.720 -5.151 3.991 1.00 0.00 C ATOM 1100 C GLY A 81 7.048 -6.451 3.595 1.00 0.00 C ATOM 1101 O GLY A 81 7.618 -7.529 3.767 1.00 0.00 O ATOM 0 H GLY A 81 6.652 -3.454 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.435 -4.865 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.287 -5.303 4.910 1.00 0.00 H new ATOM 1105 N ASP A 82 5.835 -6.351 3.064 1.00 0.00 N ATOM 1106 CA ASP A 82 5.084 -7.528 2.643 1.00 0.00 C ATOM 1107 C ASP A 82 4.935 -7.563 1.125 1.00 0.00 C ATOM 1108 O ASP A 82 4.642 -6.545 0.496 1.00 0.00 O ATOM 1109 CB ASP A 82 3.706 -7.544 3.304 1.00 0.00 C ATOM 1110 CG ASP A 82 3.785 -7.747 4.805 1.00 0.00 C ATOM 1111 OD1 ASP A 82 4.769 -7.278 5.415 1.00 0.00 O ATOM 1112 OD2 ASP A 82 2.864 -8.374 5.369 1.00 0.00 O ATOM 0 H ASP A 82 5.350 -5.466 2.915 1.00 0.00 H new ATOM 0 HA ASP A 82 5.638 -8.413 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.195 -6.605 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.105 -8.339 2.864 1.00 0.00 H new ATOM 1117 N VAL A 83 5.138 -8.740 0.542 1.00 0.00 N ATOM 1118 CA VAL A 83 5.026 -8.907 -0.902 1.00 0.00 C ATOM 1119 C VAL A 83 3.681 -9.516 -1.282 1.00 0.00 C ATOM 1120 O VAL A 83 3.225 -10.477 -0.662 1.00 0.00 O ATOM 1121 CB VAL A 83 6.155 -9.799 -1.453 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.988 -10.008 -2.950 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.514 -9.193 -1.139 1.00 0.00 C ATOM 0 H VAL A 83 5.381 -9.592 1.048 1.00 0.00 H new ATOM 0 HA VAL A 83 5.110 -7.914 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 83 6.096 -10.772 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.794 -10.640 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.030 -10.490 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.020 -9.044 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.300 -9.836 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.587 -8.207 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.631 -9.101 -0.059 1.00 0.00 H new ATOM 1133 N VAL A 84 3.049 -8.949 -2.305 1.00 0.00 N ATOM 1134 CA VAL A 84 1.756 -9.436 -2.769 1.00 0.00 C ATOM 1135 C VAL A 84 1.812 -9.825 -4.242 1.00 0.00 C ATOM 1136 O VAL A 84 2.414 -9.126 -5.057 1.00 0.00 O ATOM 1137 CB VAL A 84 0.653 -8.379 -2.570 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.416 -8.127 -1.089 1.00 0.00 C ATOM 1139 CG2 VAL A 84 1.018 -7.088 -3.288 1.00 0.00 C ATOM 0 H VAL A 84 3.412 -8.152 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 84 1.517 -10.316 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.273 -8.759 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.366 -7.378 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.108 -9.055 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.337 -7.768 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.228 -6.352 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.955 -6.702 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.132 -7.284 -4.354 1.00 0.00 H new ATOM 1149 N ARG A 85 1.180 -10.946 -4.577 1.00 0.00 N ATOM 1150 CA ARG A 85 1.159 -11.429 -5.952 1.00 0.00 C ATOM 1151 C ARG A 85 0.125 -10.670 -6.779 1.00 0.00 C ATOM 1152 O ARG A 85 -1.059 -11.006 -6.770 1.00 0.00 O ATOM 1153 CB ARG A 85 0.852 -12.928 -5.984 1.00 0.00 C ATOM 1154 CG ARG A 85 1.490 -13.655 -7.157 1.00 0.00 C ATOM 1155 CD ARG A 85 2.952 -13.974 -6.886 1.00 0.00 C ATOM 1156 NE ARG A 85 3.106 -15.018 -5.876 1.00 0.00 N ATOM 1157 CZ ARG A 85 4.258 -15.630 -5.623 1.00 0.00 C ATOM 1158 NH1 ARG A 85 5.349 -15.304 -6.301 1.00 0.00 N ATOM 1159 NH2 ARG A 85 4.318 -16.571 -4.689 1.00 0.00 N ATOM 0 H ARG A 85 0.676 -11.536 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 85 2.144 -11.257 -6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.198 -13.381 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.228 -13.068 -6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.945 -14.578 -7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.411 -13.041 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.431 -14.292 -7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.465 -13.071 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 85 2.285 -15.292 -5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.306 -14.581 -7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.232 -15.776 -6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.480 -16.824 -4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.202 -17.041 -4.495 1.00 0.00 H new ATOM 1173 N ILE A 86 0.582 -9.646 -7.492 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.303 -8.840 -8.324 1.00 0.00 C ATOM 1175 C ILE A 86 -0.801 -9.634 -9.526 1.00 0.00 C ATOM 1176 O ILE A 86 -0.011 -10.085 -10.355 1.00 0.00 O ATOM 1177 CB ILE A 86 0.400 -7.563 -8.822 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.774 -6.666 -7.640 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -0.492 -6.815 -9.801 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.785 -5.597 -7.989 1.00 0.00 C ATOM 0 H ILE A 86 1.559 -9.355 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.152 -8.558 -7.701 1.00 0.00 H new ATOM 0 HB ILE A 86 1.315 -7.848 -9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.128 -6.190 -7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.174 -7.285 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.019 -5.915 -10.144 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.712 -7.455 -10.655 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.423 -6.538 -9.306 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.003 -4.999 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.702 -6.066 -8.345 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.380 -4.954 -8.770 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.117 -9.800 -9.615 1.00 0.00 N ATOM 1193 CA GLN A 87 -2.721 -10.540 -10.717 1.00 0.00 C ATOM 1194 C GLN A 87 -3.380 -9.591 -11.712 1.00 0.00 C ATOM 1195 O GLN A 87 -3.291 -9.788 -12.924 1.00 0.00 O ATOM 1196 CB GLN A 87 -3.752 -11.537 -10.186 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.208 -12.455 -9.103 1.00 0.00 C ATOM 1198 CD GLN A 87 -3.994 -13.746 -8.983 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -4.384 -14.344 -9.986 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -4.232 -14.183 -7.752 1.00 0.00 N ATOM 0 H GLN A 87 -2.785 -9.432 -8.938 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.930 -11.086 -11.231 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.606 -10.988 -9.790 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.119 -12.143 -11.014 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.165 -12.688 -9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.226 -11.933 -8.146 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.890 -13.656 -6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.757 -15.046 -7.610 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.041 -8.561 -11.193 1.00 0.00 N ATOM 1210 CA GLU A 88 -4.716 -7.583 -12.037 1.00 0.00 C ATOM 1211 C GLU A 88 -4.499 -6.167 -11.510 1.00 0.00 C ATOM 1212 O GLU A 88 -4.341 -5.957 -10.307 1.00 0.00 O ATOM 1213 CB GLU A 88 -6.214 -7.887 -12.111 1.00 0.00 C ATOM 1214 CG GLU A 88 -6.861 -7.446 -13.414 1.00 0.00 C ATOM 1215 CD GLU A 88 -6.143 -7.989 -14.634 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -5.686 -9.150 -14.586 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -6.039 -7.253 -15.638 1.00 0.00 O ATOM 0 H GLU A 88 -4.123 -8.383 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.289 -7.649 -13.038 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.365 -8.959 -11.985 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.718 -7.394 -11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.899 -7.778 -13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.873 -6.357 -13.459 1.00 0.00 H new ATOM 1224 N THR A 89 -4.493 -5.198 -12.420 1.00 0.00 N ATOM 1225 CA THR A 89 -4.294 -3.803 -12.048 1.00 0.00 C ATOM 1226 C THR A 89 -5.324 -2.902 -12.721 1.00 0.00 C ATOM 1227 O THR A 89 -5.346 -2.775 -13.945 1.00 0.00 O ATOM 1228 CB THR A 89 -2.881 -3.317 -12.424 1.00 0.00 C ATOM 1229 OG1 THR A 89 -1.896 -4.164 -11.822 1.00 0.00 O ATOM 1230 CG2 THR A 89 -2.665 -1.880 -11.974 1.00 0.00 C ATOM 0 H THR A 89 -4.624 -5.354 -13.420 1.00 0.00 H new ATOM 0 HA THR A 89 -4.415 -3.744 -10.966 1.00 0.00 H new ATOM 0 HB THR A 89 -2.783 -3.360 -13.509 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.335 -3.635 -11.217 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.661 -1.559 -12.250 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.398 -1.234 -12.457 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.781 -1.816 -10.892 1.00 0.00 H new ATOM 1238 N CYS A 90 -6.175 -2.279 -11.913 1.00 0.00 N ATOM 1239 CA CYS A 90 -7.208 -1.390 -12.431 1.00 0.00 C ATOM 1240 C CYS A 90 -7.082 0.003 -11.822 1.00 0.00 C ATOM 1241 O CYS A 90 -6.862 0.148 -10.620 1.00 0.00 O ATOM 1242 CB CYS A 90 -8.596 -1.963 -12.141 1.00 0.00 C ATOM 1243 SG CYS A 90 -9.902 -1.309 -13.206 1.00 0.00 S ATOM 0 H CYS A 90 -6.170 -2.373 -10.897 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.075 -1.309 -13.510 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.560 -3.047 -12.252 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.852 -1.757 -11.102 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.037 -1.855 -12.886 1.00 0.00 H new ATOM 1249 N GLY A 91 -7.223 1.025 -12.660 1.00 0.00 N ATOM 1250 CA GLY A 91 -7.120 2.393 -12.186 1.00 0.00 C ATOM 1251 C GLY A 91 -5.948 2.594 -11.246 1.00 0.00 C ATOM 1252 O GLY A 91 -4.843 2.120 -11.510 1.00 0.00 O ATOM 0 H GLY A 91 -7.407 0.930 -13.659 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.016 3.063 -13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.043 2.668 -11.675 1.00 0.00 H new ATOM 1256 N ASP A 92 -6.188 3.300 -10.146 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.144 3.563 -9.163 1.00 0.00 C ATOM 1258 C ASP A 92 -5.209 2.557 -8.018 1.00 0.00 C ATOM 1259 O ASP A 92 -5.058 2.920 -6.852 1.00 0.00 O ATOM 1260 CB ASP A 92 -5.275 4.986 -8.617 1.00 0.00 C ATOM 1261 CG ASP A 92 -4.592 6.011 -9.501 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -3.347 6.098 -9.457 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -5.303 6.726 -10.238 1.00 0.00 O ATOM 0 H ASP A 92 -7.097 3.700 -9.913 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.179 3.460 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.331 5.239 -8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.845 5.029 -7.616 1.00 0.00 H new ATOM 1268 N TRP A 93 -5.435 1.294 -8.360 1.00 0.00 N ATOM 1269 CA TRP A 93 -5.521 0.236 -7.360 1.00 0.00 C ATOM 1270 C TRP A 93 -5.094 -1.105 -7.948 1.00 0.00 C ATOM 1271 O TRP A 93 -5.367 -1.398 -9.112 1.00 0.00 O ATOM 1272 CB TRP A 93 -6.946 0.136 -6.814 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.372 1.348 -6.041 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -7.745 2.557 -6.553 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.466 1.466 -4.617 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.066 3.421 -5.533 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -7.904 2.775 -4.336 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.225 0.593 -3.553 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.103 3.230 -3.035 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.424 1.046 -2.262 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -7.860 2.354 -2.012 1.00 0.00 C ATOM 0 H TRP A 93 -5.562 0.978 -9.321 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.843 0.486 -6.544 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -7.636 -0.018 -7.644 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.020 -0.741 -6.171 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -7.782 2.799 -7.605 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.375 4.386 -5.649 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.889 -0.417 -3.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.437 4.238 -2.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.240 0.380 -1.432 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.007 2.677 -0.992 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.422 -1.914 -7.137 1.00 0.00 N ATOM 1293 CA TYR A 94 -3.956 -3.223 -7.578 1.00 0.00 C ATOM 1294 C TYR A 94 -4.966 -4.310 -7.223 1.00 0.00 C ATOM 1295 O TYR A 94 -5.928 -4.065 -6.495 1.00 0.00 O ATOM 1296 CB TYR A 94 -2.601 -3.545 -6.946 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.438 -2.851 -7.619 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.233 -2.966 -8.989 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -0.545 -2.080 -6.886 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -0.172 -2.335 -9.608 1.00 0.00 C ATOM 1301 CE2 TYR A 94 0.518 -1.443 -7.497 1.00 0.00 C ATOM 1302 CZ TYR A 94 0.701 -1.574 -8.858 1.00 0.00 C ATOM 1303 OH TYR A 94 1.758 -0.943 -9.471 1.00 0.00 O ATOM 0 H TYR A 94 -4.188 -1.686 -6.171 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.847 -3.194 -8.662 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.624 -3.260 -5.894 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.440 -4.622 -6.981 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.915 -3.559 -9.580 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.684 -1.977 -5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.026 -2.437 -10.673 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.202 -0.846 -6.912 1.00 0.00 H new ATOM 0 HH TYR A 94 2.276 -0.448 -8.802 1.00 0.00 H new ATOM 1313 N ARG A 95 -4.739 -5.512 -7.743 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.629 -6.637 -7.483 1.00 0.00 C ATOM 1315 C ARG A 95 -4.833 -7.920 -7.263 1.00 0.00 C ATOM 1316 O ARG A 95 -4.174 -8.418 -8.176 1.00 0.00 O ATOM 1317 CB ARG A 95 -6.605 -6.823 -8.646 1.00 0.00 C ATOM 1318 CG ARG A 95 -7.926 -7.455 -8.237 1.00 0.00 C ATOM 1319 CD ARG A 95 -7.875 -8.971 -8.346 1.00 0.00 C ATOM 1320 NE ARG A 95 -9.124 -9.593 -7.913 1.00 0.00 N ATOM 1321 CZ ARG A 95 -9.390 -10.886 -8.060 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.500 -11.690 -8.625 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -10.549 -11.378 -7.641 1.00 0.00 N ATOM 0 H ARG A 95 -3.947 -5.732 -8.347 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.193 -6.419 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.802 -5.853 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.135 -7.445 -9.408 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.165 -7.171 -7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.726 -7.070 -8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.668 -9.254 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.052 -9.351 -7.741 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.830 -9.002 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.608 -11.316 -8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.707 -12.682 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.237 -10.763 -7.206 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.752 -12.371 -7.754 1.00 0.00 H new ATOM 1337 N GLY A 96 -4.899 -8.451 -6.046 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.179 -9.671 -5.729 1.00 0.00 C ATOM 1339 C GLY A 96 -4.426 -10.136 -4.307 1.00 0.00 C ATOM 1340 O GLY A 96 -5.524 -9.974 -3.775 1.00 0.00 O ATOM 0 H GLY A 96 -5.438 -8.058 -5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.479 -10.457 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.111 -9.508 -5.874 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.403 -10.718 -3.692 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.515 -11.213 -2.324 1.00 0.00 C ATOM 1346 C TYR A 97 -2.142 -11.304 -1.664 1.00 0.00 C ATOM 1347 O TYR A 97 -1.112 -11.261 -2.337 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.192 -12.584 -2.310 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.476 -13.623 -3.143 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.187 -14.030 -2.823 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.088 -14.195 -4.251 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.528 -14.978 -3.582 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.437 -15.145 -5.015 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.158 -15.533 -4.676 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.506 -16.478 -5.436 1.00 0.00 O ATOM 0 H TYR A 97 -2.487 -10.859 -4.118 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.124 -10.509 -1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.256 -12.937 -1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.214 -12.479 -2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.691 -13.598 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.089 -13.892 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.525 -15.283 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.927 -15.581 -5.873 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.089 -16.768 -6.168 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.137 -11.431 -0.342 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.892 -11.530 0.412 1.00 0.00 C ATOM 1367 C LEU A 98 -0.247 -12.899 0.221 1.00 0.00 C ATOM 1368 O LEU A 98 -0.779 -13.915 0.668 1.00 0.00 O ATOM 1369 CB LEU A 98 -1.152 -11.279 1.899 1.00 0.00 C ATOM 1370 CG LEU A 98 -0.014 -10.618 2.677 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.414 -9.325 2.000 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.434 -10.355 4.116 1.00 0.00 C ATOM 0 H LEU A 98 -2.981 -11.468 0.230 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.207 -10.770 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.040 -10.654 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.383 -12.233 2.373 1.00 0.00 H new ATOM 0 HG LEU A 98 0.837 -11.298 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.225 -8.868 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.756 -9.540 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.432 -8.639 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.388 -9.884 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.301 -9.694 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.691 -11.298 4.598 1.00 0.00 H new ATOM 1384 N ILE A 99 0.904 -12.917 -0.444 1.00 0.00 N ATOM 1385 CA ILE A 99 1.623 -14.160 -0.690 1.00 0.00 C ATOM 1386 C ILE A 99 1.864 -14.923 0.608 1.00 0.00 C ATOM 1387 O ILE A 99 1.507 -16.096 0.727 1.00 0.00 O ATOM 1388 CB ILE A 99 2.976 -13.901 -1.379 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.773 -13.102 -2.668 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.684 -15.216 -1.670 1.00 0.00 C ATOM 1391 CD1 ILE A 99 4.047 -12.494 -3.210 1.00 0.00 C ATOM 0 H ILE A 99 1.358 -12.085 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 99 0.997 -14.760 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 99 3.602 -13.315 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.341 -13.755 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.051 -12.307 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.638 -15.015 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.858 -15.750 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.063 -15.826 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.827 -11.943 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.470 -11.815 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.764 -13.286 -3.428 1.00 0.00 H new ATOM 1403 N LYS A 100 2.470 -14.250 1.580 1.00 0.00 N ATOM 1404 CA LYS A 100 2.757 -14.862 2.872 1.00 0.00 C ATOM 1405 C LYS A 100 1.501 -15.494 3.464 1.00 0.00 C ATOM 1406 O LYS A 100 1.567 -16.539 4.113 1.00 0.00 O ATOM 1407 CB LYS A 100 3.321 -13.819 3.839 1.00 0.00 C ATOM 1408 CG LYS A 100 2.277 -12.847 4.362 1.00 0.00 C ATOM 1409 CD LYS A 100 2.855 -11.454 4.547 1.00 0.00 C ATOM 1410 CE LYS A 100 3.576 -11.322 5.880 1.00 0.00 C ATOM 1411 NZ LYS A 100 2.623 -11.126 7.008 1.00 0.00 N ATOM 0 H LYS A 100 2.772 -13.279 1.497 1.00 0.00 H new ATOM 0 HA LYS A 100 3.500 -15.645 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.784 -14.331 4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.108 -13.258 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.438 -12.804 3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.886 -13.209 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.548 -11.236 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.055 -10.716 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.173 -12.216 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.267 -10.480 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.149 -11.091 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.106 -10.233 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.948 -11.916 7.033 1.00 0.00 H new ATOM 1425 N HIS A 101 0.358 -14.856 3.236 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.913 -15.357 3.746 1.00 0.00 C ATOM 1427 C HIS A 101 -1.982 -15.335 2.658 1.00 0.00 C ATOM 1428 O HIS A 101 -2.546 -14.285 2.349 1.00 0.00 O ATOM 1429 CB HIS A 101 -1.370 -14.525 4.944 1.00 0.00 C ATOM 1430 CG HIS A 101 -0.475 -14.652 6.138 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.206 -13.714 6.837 1.00 0.00 N flip ATOM 1432 CD2 HIS A 101 -0.196 -15.858 6.745 1.00 0.00 C flip ATOM 1433 CE1 HIS A 101 0.877 -14.364 7.844 1.00 0.00 C flip ATOM 1434 NE2 HIS A 101 0.617 -15.657 7.767 1.00 0.00 N flip ATOM 0 H HIS A 101 0.286 -13.991 2.701 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.766 -16.389 4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.422 -13.477 4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.379 -14.828 5.223 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -0.582 -16.817 6.434 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.514 -13.894 8.579 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.982 -16.377 8.390 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.256 -16.499 2.080 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.257 -16.614 1.026 1.00 0.00 C ATOM 1445 C LYS A 102 -4.663 -16.667 1.615 1.00 0.00 C ATOM 1446 O LYS A 102 -5.642 -16.853 0.893 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.999 -17.865 0.183 1.00 0.00 C ATOM 1448 CG LYS A 102 -1.549 -18.024 -0.241 1.00 0.00 C ATOM 1449 CD LYS A 102 -1.275 -17.324 -1.562 1.00 0.00 C ATOM 1450 CE LYS A 102 -1.737 -18.164 -2.744 1.00 0.00 C ATOM 1451 NZ LYS A 102 -3.178 -17.945 -3.050 1.00 0.00 N ATOM 0 H LYS A 102 -1.798 -17.377 2.324 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.181 -15.732 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.301 -18.745 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.627 -17.829 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.896 -17.616 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.310 -19.083 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.785 -16.361 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.208 -17.121 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.138 -17.918 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.568 -19.219 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.707 -18.824 -2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.552 -17.192 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.283 -17.665 -4.046 1.00 0.00 H new ATOM 1465 N MET A 103 -4.755 -16.501 2.931 1.00 0.00 N ATOM 1466 CA MET A 103 -6.042 -16.528 3.616 1.00 0.00 C ATOM 1467 C MET A 103 -6.800 -15.221 3.399 1.00 0.00 C ATOM 1468 O MET A 103 -7.954 -15.086 3.809 1.00 0.00 O ATOM 1469 CB MET A 103 -5.843 -16.773 5.112 1.00 0.00 C ATOM 1470 CG MET A 103 -5.552 -18.225 5.456 1.00 0.00 C ATOM 1471 SD MET A 103 -5.317 -18.486 7.225 1.00 0.00 S ATOM 1472 CE MET A 103 -3.529 -18.490 7.332 1.00 0.00 C ATOM 0 H MET A 103 -3.954 -16.347 3.543 1.00 0.00 H new ATOM 0 HA MET A 103 -6.631 -17.344 3.197 1.00 0.00 H new ATOM 0 HB2 MET A 103 -5.021 -16.152 5.467 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.738 -16.454 5.646 1.00 0.00 H new ATOM 0 HG2 MET A 103 -6.375 -18.849 5.107 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.658 -18.549 4.923 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.227 -18.642 8.368 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.129 -19.295 6.716 1.00 0.00 H new ATOM 0 HE3 MET A 103 -3.141 -17.535 6.977 1.00 0.00 H new ATOM 1482 N LEU A 104 -6.144 -14.262 2.755 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.756 -12.966 2.484 1.00 0.00 C ATOM 1484 C LEU A 104 -6.459 -12.510 1.059 1.00 0.00 C ATOM 1485 O LEU A 104 -5.333 -12.638 0.580 1.00 0.00 O ATOM 1486 CB LEU A 104 -6.250 -11.923 3.482 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.743 -11.919 3.742 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -4.272 -10.527 4.132 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.387 -12.927 4.825 1.00 0.00 C ATOM 0 H LEU A 104 -5.189 -14.357 2.411 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.835 -13.071 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.539 -10.935 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.762 -12.079 4.431 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.234 -12.208 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.197 -10.544 4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.493 -9.829 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.788 -10.209 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.311 -12.911 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.906 -12.668 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.689 -13.925 4.507 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.475 -11.976 0.390 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.321 -11.500 -0.980 1.00 0.00 C ATOM 1503 C GLN A 105 -8.225 -10.300 -1.243 1.00 0.00 C ATOM 1504 O GLN A 105 -9.375 -10.269 -0.808 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.639 -12.620 -1.971 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.144 -13.986 -1.524 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.824 -15.123 -2.262 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.293 -14.956 -3.387 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.880 -16.290 -1.629 1.00 0.00 N ATOM 0 H GLN A 105 -8.413 -11.862 0.774 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.285 -11.189 -1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.718 -12.665 -2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.192 -12.378 -2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.067 -14.048 -1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.316 -14.098 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.478 -16.384 -0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.325 -17.092 -2.076 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.695 -9.312 -1.959 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.468 -8.123 -2.268 1.00 0.00 C ATOM 1520 C GLY A 106 -7.691 -7.129 -3.108 1.00 0.00 C ATOM 1521 O GLY A 106 -6.866 -7.517 -3.936 1.00 0.00 O ATOM 0 H GLY A 106 -6.745 -9.314 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.376 -8.411 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.780 -7.644 -1.340 1.00 0.00 H new ATOM 1525 N ILE A 107 -7.956 -5.844 -2.898 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.276 -4.793 -3.644 1.00 0.00 C ATOM 1527 C ILE A 107 -6.637 -3.777 -2.703 1.00 0.00 C ATOM 1528 O ILE A 107 -7.047 -3.638 -1.551 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.243 -4.060 -4.593 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.487 -3.597 -3.831 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -8.632 -4.963 -5.754 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.348 -2.629 -4.611 1.00 0.00 C ATOM 0 H ILE A 107 -8.637 -5.506 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.498 -5.277 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.738 -3.182 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.085 -4.468 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.177 -3.125 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.316 -4.431 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.738 -5.248 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.122 -5.858 -5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.211 -2.344 -4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.766 -1.740 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.688 -3.104 -5.531 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.632 -3.066 -3.203 1.00 0.00 N ATOM 1545 CA PHE A 108 -4.936 -2.061 -2.408 1.00 0.00 C ATOM 1546 C PHE A 108 -4.428 -0.925 -3.291 1.00 0.00 C ATOM 1547 O PHE A 108 -4.302 -1.060 -4.508 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.767 -2.698 -1.653 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.170 -3.881 -2.360 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -2.217 -3.704 -3.350 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -3.562 -5.169 -2.034 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -1.665 -4.791 -4.002 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -3.013 -6.260 -2.682 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.065 -6.070 -3.669 1.00 0.00 C ATOM 0 H PHE A 108 -5.281 -3.167 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.643 -1.649 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.992 -1.947 -1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.109 -3.009 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -1.902 -2.706 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.305 -5.323 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.922 -4.640 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -3.325 -7.259 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.638 -6.920 -4.179 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.129 0.222 -2.664 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.630 1.405 -3.372 1.00 0.00 C ATOM 1566 C PRO A 109 -2.212 1.209 -3.899 1.00 0.00 C ATOM 1567 O PRO A 109 -1.295 0.893 -3.142 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.656 2.497 -2.301 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.546 1.764 -1.009 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.254 0.454 -1.215 1.00 0.00 C ATOM 0 HA PRO A 109 -4.231 1.638 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.831 3.198 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.577 3.077 -2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.502 1.605 -0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -4.003 2.331 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.792 -0.347 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.298 0.508 -0.905 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.039 1.400 -5.203 1.00 0.00 N ATOM 1579 CA LYS A 110 -0.733 1.247 -5.832 1.00 0.00 C ATOM 1580 C LYS A 110 0.298 2.160 -5.177 1.00 0.00 C ATOM 1581 O LYS A 110 1.499 1.897 -5.232 1.00 0.00 O ATOM 1582 CB LYS A 110 -0.825 1.556 -7.328 1.00 0.00 C ATOM 1583 CG LYS A 110 -1.890 0.749 -8.051 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.188 1.325 -9.426 1.00 0.00 C ATOM 1585 CE LYS A 110 -1.054 1.053 -10.402 1.00 0.00 C ATOM 1586 NZ LYS A 110 -0.013 2.117 -10.353 1.00 0.00 N ATOM 0 H LYS A 110 -2.788 1.661 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.413 0.213 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.034 2.618 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.143 1.362 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.559 -0.284 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.803 0.734 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.112 0.893 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.349 2.400 -9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.600 0.089 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.454 0.983 -11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.096 2.540 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.299 2.852 -9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.893 1.703 -10.053 1.00 0.00 H new ATOM 1600 N SER A 111 -0.180 3.234 -4.555 1.00 0.00 N ATOM 1601 CA SER A 111 0.700 4.187 -3.890 1.00 0.00 C ATOM 1602 C SER A 111 1.338 3.566 -2.652 1.00 0.00 C ATOM 1603 O SER A 111 2.262 4.131 -2.065 1.00 0.00 O ATOM 1604 CB SER A 111 -0.078 5.445 -3.500 1.00 0.00 C ATOM 1605 OG SER A 111 -0.822 5.946 -4.597 1.00 0.00 O ATOM 0 H SER A 111 -1.172 3.465 -4.498 1.00 0.00 H new ATOM 0 HA SER A 111 1.492 4.459 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.751 5.218 -2.673 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.614 6.209 -3.147 1.00 0.00 H new ATOM 0 HG SER A 111 -1.311 6.749 -4.321 1.00 0.00 H new ATOM 1611 N PHE A 112 0.839 2.398 -2.259 1.00 0.00 N ATOM 1612 CA PHE A 112 1.359 1.699 -1.090 1.00 0.00 C ATOM 1613 C PHE A 112 2.215 0.506 -1.506 1.00 0.00 C ATOM 1614 O PHE A 112 2.989 -0.024 -0.708 1.00 0.00 O ATOM 1615 CB PHE A 112 0.209 1.229 -0.198 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.423 2.335 0.598 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -1.013 3.415 -0.039 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.429 2.294 1.983 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.594 4.434 0.691 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -1.009 3.311 2.718 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.593 4.382 2.071 1.00 0.00 C ATOM 0 H PHE A 112 0.075 1.916 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 112 1.984 2.394 -0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.553 0.758 -0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.579 0.465 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.019 3.461 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.025 1.458 2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.049 5.271 0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.005 3.268 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.048 5.177 2.643 1.00 0.00 H new ATOM 1631 N ILE A 113 2.070 0.089 -2.759 1.00 0.00 N ATOM 1632 CA ILE A 113 2.829 -1.040 -3.281 1.00 0.00 C ATOM 1633 C ILE A 113 4.049 -0.567 -4.064 1.00 0.00 C ATOM 1634 O ILE A 113 3.962 0.362 -4.868 1.00 0.00 O ATOM 1635 CB ILE A 113 1.962 -1.930 -4.191 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.764 -2.478 -3.414 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.792 -3.067 -4.767 1.00 0.00 C ATOM 1638 CD1 ILE A 113 1.152 -3.262 -2.180 1.00 0.00 C ATOM 0 H ILE A 113 1.433 0.516 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 113 3.156 -1.624 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 113 1.589 -1.325 -5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.121 -1.648 -3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.177 -3.119 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 113 2.165 -3.687 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.615 -2.657 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.192 -3.674 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.253 -3.620 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.770 -4.112 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.713 -2.619 -1.502 1.00 0.00 H new ATOM 1650 N HIS A 114 5.186 -1.213 -3.826 1.00 0.00 N ATOM 1651 CA HIS A 114 6.424 -0.860 -4.511 1.00 0.00 C ATOM 1652 C HIS A 114 6.838 -1.959 -5.485 1.00 0.00 C ATOM 1653 O HIS A 114 7.367 -2.995 -5.079 1.00 0.00 O ATOM 1654 CB HIS A 114 7.541 -0.615 -3.497 1.00 0.00 C ATOM 1655 CG HIS A 114 8.787 -0.045 -4.103 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.863 1.240 -4.598 1.00 0.00 N ATOM 1657 CD2 HIS A 114 10.010 -0.592 -4.291 1.00 0.00 C ATOM 1658 CE1 HIS A 114 10.079 1.457 -5.066 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.795 0.361 -4.891 1.00 0.00 N ATOM 0 H HIS A 114 5.275 -1.984 -3.164 1.00 0.00 H new ATOM 0 HA HIS A 114 6.249 0.056 -5.076 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.178 0.065 -2.726 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.785 -1.556 -3.003 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.313 -1.593 -4.019 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.428 2.375 -5.515 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.772 0.242 -5.158 1.00 0.00 H new ATOM 1668 N ILE A 115 6.594 -1.727 -6.771 1.00 0.00 N ATOM 1669 CA ILE A 115 6.942 -2.697 -7.801 1.00 0.00 C ATOM 1670 C ILE A 115 8.454 -2.809 -7.963 1.00 0.00 C ATOM 1671 O ILE A 115 9.129 -1.832 -8.289 1.00 0.00 O ATOM 1672 CB ILE A 115 6.318 -2.324 -9.159 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.818 -2.065 -9.002 1.00 0.00 C ATOM 1674 CG2 ILE A 115 6.567 -3.427 -10.177 1.00 0.00 C ATOM 1675 CD1 ILE A 115 4.015 -3.316 -8.724 1.00 0.00 C ATOM 0 H ILE A 115 6.157 -0.876 -7.124 1.00 0.00 H new ATOM 0 HA ILE A 115 6.542 -3.658 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 115 6.789 -1.410 -9.520 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.663 -1.355 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.441 -1.596 -9.911 1.00 0.00 H new ATOM 0 HG21 ILE A 115 6.120 -3.149 -11.131 1.00 0.00 H new ATOM 0 HG22 ILE A 115 7.640 -3.568 -10.306 1.00 0.00 H new ATOM 0 HG23 ILE A 115 6.119 -4.356 -9.824 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.961 -3.057 -8.624 1.00 0.00 H new ATOM 0 HD12 ILE A 115 4.140 -4.019 -9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.365 -3.775 -7.799 1.00 0.00 H new ATOM 1687 N LYS A 116 8.981 -4.007 -7.734 1.00 0.00 N ATOM 1688 CA LYS A 116 10.413 -4.250 -7.857 1.00 0.00 C ATOM 1689 C LYS A 116 10.787 -4.587 -9.297 1.00 0.00 C ATOM 1690 O LYS A 116 11.898 -5.040 -9.569 1.00 0.00 O ATOM 1691 CB LYS A 116 10.840 -5.389 -6.928 1.00 0.00 C ATOM 1692 CG LYS A 116 10.387 -5.203 -5.490 1.00 0.00 C ATOM 1693 CD LYS A 116 10.453 -6.507 -4.712 1.00 0.00 C ATOM 1694 CE LYS A 116 11.804 -6.685 -4.036 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.056 -5.632 -3.015 1.00 0.00 N ATOM 0 H LYS A 116 8.437 -4.826 -7.462 1.00 0.00 H new ATOM 0 HA LYS A 116 10.936 -3.338 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 116 10.437 -6.328 -7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.926 -5.476 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.014 -4.456 -5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.366 -4.821 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.664 -6.524 -3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.269 -7.344 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.847 -7.666 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.593 -6.658 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.575 -6.043 -2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.621 -4.867 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.149 -5.249 -2.681 1.00 0.00 H new ATOM 1709 N GLU A 117 9.851 -4.362 -10.214 1.00 0.00 N ATOM 1710 CA GLU A 117 10.084 -4.642 -11.626 1.00 0.00 C ATOM 1711 C GLU A 117 10.996 -5.854 -11.797 1.00 0.00 C ATOM 1712 O GLU A 117 11.990 -5.799 -12.521 1.00 0.00 O ATOM 1713 CB GLU A 117 10.702 -3.424 -12.316 1.00 0.00 C ATOM 1714 CG GLU A 117 10.593 -3.462 -13.831 1.00 0.00 C ATOM 1715 CD GLU A 117 9.161 -3.350 -14.316 1.00 0.00 C ATOM 1716 OE1 GLU A 117 8.418 -4.348 -14.203 1.00 0.00 O ATOM 1717 OE2 GLU A 117 8.783 -2.267 -14.808 1.00 0.00 O ATOM 0 H GLU A 117 8.926 -3.987 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 117 9.122 -4.864 -12.089 1.00 0.00 H new ATOM 0 HB2 GLU A 117 10.214 -2.522 -11.948 1.00 0.00 H new ATOM 0 HB3 GLU A 117 11.753 -3.354 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.181 -2.647 -14.254 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.026 -4.392 -14.199 1.00 0.00 H new ATOM 1724 N VAL A 118 10.649 -6.947 -11.126 1.00 0.00 N ATOM 1725 CA VAL A 118 11.435 -8.173 -11.203 1.00 0.00 C ATOM 1726 C VAL A 118 10.854 -9.134 -12.234 1.00 0.00 C ATOM 1727 O VAL A 118 11.586 -9.739 -13.018 1.00 0.00 O ATOM 1728 CB VAL A 118 11.504 -8.883 -9.838 1.00 0.00 C ATOM 1729 CG1 VAL A 118 10.114 -9.306 -9.385 1.00 0.00 C ATOM 1730 CG2 VAL A 118 12.438 -10.081 -9.907 1.00 0.00 C ATOM 0 H VAL A 118 9.829 -7.009 -10.523 1.00 0.00 H new ATOM 0 HA VAL A 118 12.442 -7.885 -11.505 1.00 0.00 H new ATOM 0 HB VAL A 118 11.902 -8.183 -9.104 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.183 -9.806 -8.419 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.478 -8.426 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 118 9.685 -9.990 -10.118 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.474 -10.570 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.072 -10.785 -10.654 1.00 0.00 H new ATOM 0 HG23 VAL A 118 13.438 -9.747 -10.183 1.00 0.00 H new ATOM 1740 N THR A 119 9.531 -9.270 -12.230 1.00 0.00 N ATOM 1741 CA THR A 119 8.851 -10.158 -13.164 1.00 0.00 C ATOM 1742 C THR A 119 8.920 -9.616 -14.587 1.00 0.00 C ATOM 1743 O THR A 119 8.657 -8.438 -14.827 1.00 0.00 O ATOM 1744 CB THR A 119 7.374 -10.358 -12.774 1.00 0.00 C ATOM 1745 OG1 THR A 119 6.881 -9.191 -12.107 1.00 0.00 O ATOM 1746 CG2 THR A 119 7.213 -11.571 -11.871 1.00 0.00 C ATOM 0 H THR A 119 8.910 -8.776 -11.590 1.00 0.00 H new ATOM 0 HA THR A 119 9.365 -11.118 -13.119 1.00 0.00 H new ATOM 0 HB THR A 119 6.800 -10.524 -13.685 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.655 -8.506 -12.770 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.162 -11.692 -11.609 1.00 0.00 H new ATOM 0 HG22 THR A 119 7.562 -12.462 -12.393 1.00 0.00 H new ATOM 0 HG23 THR A 119 7.800 -11.429 -10.963 1.00 0.00 H new TER 1754 THR A 119