USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 732 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 100 GLN :FLIP amide:sc= -0.053 F(o=-1.5,f=0.27) USER MOD Set 1.2: A 101 SER OG : rot -101:sc= 0.323 USER MOD Set 2.1: A 72 SER OG : rot -96:sc= 0.964 USER MOD Set 2.2: A 97 THR OG1 : rot -168:sc= 1.83 USER MOD Set 3.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 53 GLN : amide:sc=-0.00568 X(o=-0.0057,f=-0.0057) USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 23 SER OG : rot 180:sc=-0.00182 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0658 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00248 USER MOD Single : A 3 SER OG : rot -54:sc= 0.0167 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -163:sc= -0.63 USER MOD Single : A 25 THR OG1 : rot -160:sc= -0.0559 USER MOD Single : A 27 THR OG1 : rot -44:sc= 0.953 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 32 ASN : amide:sc= -0.2 K(o=-0.2,f=-6.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 158:sc= 0.359 USER MOD Single : A 42 GLN : amide:sc= -4.12! C(o=-4.1!,f=-7.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 112:sc= 0.668 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0495 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 82 ASN : amide:sc= -1.24 K(o=-1.2,f=-12!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00564 USER MOD Single : A 90 SER OG : rot 144:sc= 0.95 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.384 -23.930 16.372 1.00 0.00 N ATOM 2 CA GLY A 1 19.748 -22.752 15.810 1.00 0.00 C ATOM 3 C GLY A 1 18.298 -22.996 15.443 1.00 0.00 C ATOM 4 O GLY A 1 17.861 -24.142 15.342 1.00 0.00 O ATOM 0 H1 GLY A 1 20.580 -23.771 17.381 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.752 -24.749 16.267 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.277 -24.115 15.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.805 -21.934 16.528 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.296 -22.435 14.923 1.00 0.00 H new ATOM 8 N SER A 2 17.550 -21.916 15.243 1.00 0.00 N ATOM 9 CA SER A 2 16.139 -22.018 14.890 1.00 0.00 C ATOM 10 C SER A 2 15.597 -20.670 14.424 1.00 0.00 C ATOM 11 O SER A 2 16.083 -19.617 14.836 1.00 0.00 O ATOM 12 CB SER A 2 15.327 -22.521 16.085 1.00 0.00 C ATOM 13 OG SER A 2 13.936 -22.443 15.826 1.00 0.00 O ATOM 0 H SER A 2 17.898 -20.960 15.319 1.00 0.00 H new ATOM 0 HA SER A 2 16.046 -22.731 14.071 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.601 -23.552 16.307 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.569 -21.930 16.968 1.00 0.00 H new ATOM 0 HG SER A 2 13.439 -22.772 16.604 1.00 0.00 H new ATOM 19 N SER A 3 14.586 -20.712 13.561 1.00 0.00 N ATOM 20 CA SER A 3 13.980 -19.495 13.035 1.00 0.00 C ATOM 21 C SER A 3 14.907 -18.816 12.031 1.00 0.00 C ATOM 22 O SER A 3 15.072 -17.597 12.048 1.00 0.00 O ATOM 23 CB SER A 3 13.650 -18.530 14.175 1.00 0.00 C ATOM 24 OG SER A 3 12.678 -17.579 13.774 1.00 0.00 O ATOM 0 H SER A 3 14.170 -21.575 13.212 1.00 0.00 H new ATOM 0 HA SER A 3 13.058 -19.770 12.523 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.282 -19.090 15.035 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.557 -18.016 14.494 1.00 0.00 H new ATOM 0 HG SER A 3 12.976 -17.132 12.955 1.00 0.00 H new ATOM 30 N GLY A 4 15.509 -19.615 11.157 1.00 0.00 N ATOM 31 CA GLY A 4 16.413 -19.075 10.157 1.00 0.00 C ATOM 32 C GLY A 4 15.691 -18.257 9.105 1.00 0.00 C ATOM 33 O GLY A 4 14.741 -18.732 8.483 1.00 0.00 O ATOM 0 H GLY A 4 15.388 -20.627 11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.162 -18.452 10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.946 -19.894 9.674 1.00 0.00 H new ATOM 37 N SER A 5 16.140 -17.022 8.907 1.00 0.00 N ATOM 38 CA SER A 5 15.527 -16.133 7.927 1.00 0.00 C ATOM 39 C SER A 5 16.137 -16.345 6.544 1.00 0.00 C ATOM 40 O SER A 5 17.306 -16.712 6.419 1.00 0.00 O ATOM 41 CB SER A 5 15.697 -14.674 8.353 1.00 0.00 C ATOM 42 OG SER A 5 15.470 -13.795 7.265 1.00 0.00 O ATOM 0 H SER A 5 16.926 -16.614 9.412 1.00 0.00 H new ATOM 0 HA SER A 5 14.464 -16.368 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.002 -14.445 9.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.703 -14.521 8.744 1.00 0.00 H new ATOM 0 HG SER A 5 15.583 -12.869 7.564 1.00 0.00 H new ATOM 48 N SER A 6 15.337 -16.112 5.509 1.00 0.00 N ATOM 49 CA SER A 6 15.796 -16.280 4.135 1.00 0.00 C ATOM 50 C SER A 6 15.691 -14.969 3.362 1.00 0.00 C ATOM 51 O SER A 6 15.025 -14.031 3.798 1.00 0.00 O ATOM 52 CB SER A 6 14.980 -17.367 3.432 1.00 0.00 C ATOM 53 OG SER A 6 13.691 -16.892 3.086 1.00 0.00 O ATOM 0 H SER A 6 14.368 -15.806 5.595 1.00 0.00 H new ATOM 0 HA SER A 6 16.843 -16.582 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.503 -17.696 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.888 -18.236 4.083 1.00 0.00 H new ATOM 0 HG SER A 6 13.190 -17.604 2.637 1.00 0.00 H new ATOM 59 N GLY A 7 16.354 -14.913 2.211 1.00 0.00 N ATOM 60 CA GLY A 7 16.323 -13.713 1.395 1.00 0.00 C ATOM 61 C GLY A 7 16.667 -12.465 2.185 1.00 0.00 C ATOM 62 O GLY A 7 17.221 -12.533 3.282 1.00 0.00 O ATOM 0 H GLY A 7 16.912 -15.677 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.025 -13.821 0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.331 -13.600 0.958 1.00 0.00 H new ATOM 66 N PRO A 8 16.336 -11.294 1.622 1.00 0.00 N ATOM 67 CA PRO A 8 16.604 -10.003 2.263 1.00 0.00 C ATOM 68 C PRO A 8 15.730 -9.773 3.490 1.00 0.00 C ATOM 69 O PRO A 8 14.832 -10.563 3.784 1.00 0.00 O ATOM 70 CB PRO A 8 16.269 -8.987 1.169 1.00 0.00 C ATOM 71 CG PRO A 8 15.289 -9.685 0.290 1.00 0.00 C ATOM 72 CD PRO A 8 15.673 -11.139 0.316 1.00 0.00 C ATOM 0 HA PRO A 8 17.629 -9.934 2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.844 -8.077 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.160 -8.695 0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.270 -9.544 0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.325 -9.290 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.801 -11.787 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.342 -11.393 -0.507 1.00 0.00 H new ATOM 80 N LYS A 9 15.996 -8.684 4.205 1.00 0.00 N ATOM 81 CA LYS A 9 15.232 -8.347 5.400 1.00 0.00 C ATOM 82 C LYS A 9 14.045 -7.456 5.054 1.00 0.00 C ATOM 83 O LYS A 9 14.056 -6.722 4.065 1.00 0.00 O ATOM 84 CB LYS A 9 16.129 -7.646 6.423 1.00 0.00 C ATOM 85 CG LYS A 9 16.863 -8.603 7.346 1.00 0.00 C ATOM 86 CD LYS A 9 18.016 -9.290 6.634 1.00 0.00 C ATOM 87 CE LYS A 9 19.252 -8.404 6.590 1.00 0.00 C ATOM 88 NZ LYS A 9 20.079 -8.544 7.821 1.00 0.00 N ATOM 0 H LYS A 9 16.736 -8.020 3.977 1.00 0.00 H new ATOM 0 HA LYS A 9 14.854 -9.274 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.859 -7.033 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.521 -6.970 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.241 -8.058 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.167 -9.353 7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.255 -10.224 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.716 -9.548 5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.853 -8.662 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.949 -7.364 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.912 -7.924 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.514 -8.274 8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.390 -9.532 7.920 1.00 0.00 H new ATOM 102 N PRO A 10 12.995 -7.517 5.886 1.00 0.00 N ATOM 103 CA PRO A 10 11.780 -6.719 5.689 1.00 0.00 C ATOM 104 C PRO A 10 12.016 -5.233 5.938 1.00 0.00 C ATOM 105 O PRO A 10 12.835 -4.841 6.769 1.00 0.00 O ATOM 106 CB PRO A 10 10.810 -7.288 6.727 1.00 0.00 C ATOM 107 CG PRO A 10 11.684 -7.861 7.789 1.00 0.00 C ATOM 108 CD PRO A 10 12.912 -8.368 7.085 1.00 0.00 C ATOM 0 HA PRO A 10 11.413 -6.781 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.158 -6.511 7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.166 -8.051 6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.943 -7.106 8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.177 -8.667 8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.801 -8.271 7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.819 -9.422 6.824 1.00 0.00 H new ATOM 116 N PRO A 11 11.282 -4.386 5.201 1.00 0.00 N ATOM 117 CA PRO A 11 11.393 -2.929 5.325 1.00 0.00 C ATOM 118 C PRO A 11 10.836 -2.416 6.649 1.00 0.00 C ATOM 119 O PRO A 11 9.897 -2.990 7.202 1.00 0.00 O ATOM 120 CB PRO A 11 10.555 -2.409 4.155 1.00 0.00 C ATOM 121 CG PRO A 11 9.576 -3.497 3.877 1.00 0.00 C ATOM 122 CD PRO A 11 10.287 -4.784 4.192 1.00 0.00 C ATOM 0 HA PRO A 11 12.431 -2.596 5.305 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.050 -1.478 4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.177 -2.203 3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.683 -3.384 4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.252 -3.474 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.601 -5.537 4.579 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.760 -5.209 3.307 1.00 0.00 H new ATOM 130 N ILE A 12 11.420 -1.334 7.151 1.00 0.00 N ATOM 131 CA ILE A 12 10.981 -0.743 8.409 1.00 0.00 C ATOM 132 C ILE A 12 10.430 0.662 8.194 1.00 0.00 C ATOM 133 O ILE A 12 10.366 1.149 7.065 1.00 0.00 O ATOM 134 CB ILE A 12 12.129 -0.681 9.433 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.301 0.125 8.870 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.578 -2.084 9.812 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.428 0.326 9.859 1.00 0.00 C ATOM 0 H ILE A 12 12.199 -0.848 6.706 1.00 0.00 H new ATOM 0 HA ILE A 12 10.191 -1.384 8.800 1.00 0.00 H new ATOM 0 HB ILE A 12 11.767 -0.181 10.332 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.690 -0.383 7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.937 1.099 8.543 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.390 -2.023 10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.741 -2.628 10.250 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.925 -2.608 8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.224 0.905 9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.055 0.861 10.732 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.819 -0.644 10.168 1.00 0.00 H new ATOM 149 N ASP A 13 10.035 1.310 9.284 1.00 0.00 N ATOM 150 CA ASP A 13 9.491 2.662 9.215 1.00 0.00 C ATOM 151 C ASP A 13 8.296 2.720 8.270 1.00 0.00 C ATOM 152 O ASP A 13 8.164 3.651 7.474 1.00 0.00 O ATOM 153 CB ASP A 13 10.569 3.645 8.755 1.00 0.00 C ATOM 154 CG ASP A 13 10.363 5.036 9.321 1.00 0.00 C ATOM 155 OD1 ASP A 13 10.122 5.152 10.541 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.444 6.010 8.543 1.00 0.00 O ATOM 0 H ASP A 13 10.081 0.921 10.226 1.00 0.00 H new ATOM 0 HA ASP A 13 9.155 2.943 10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.548 3.274 9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.570 3.695 7.666 1.00 0.00 H new ATOM 161 N LEU A 14 7.427 1.719 8.362 1.00 0.00 N ATOM 162 CA LEU A 14 6.241 1.655 7.514 1.00 0.00 C ATOM 163 C LEU A 14 5.142 2.570 8.044 1.00 0.00 C ATOM 164 O LEU A 14 4.455 2.238 9.010 1.00 0.00 O ATOM 165 CB LEU A 14 5.727 0.217 7.430 1.00 0.00 C ATOM 166 CG LEU A 14 4.987 -0.157 6.145 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.911 -0.040 4.943 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.419 -1.566 6.248 1.00 0.00 C ATOM 0 H LEU A 14 7.521 0.941 9.015 1.00 0.00 H new ATOM 0 HA LEU A 14 6.520 1.994 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.575 -0.458 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.060 0.041 8.274 1.00 0.00 H new ATOM 0 HG LEU A 14 4.159 0.539 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.367 -0.310 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.270 0.986 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.760 -0.712 5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.896 -1.816 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.231 -2.275 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.723 -1.617 7.085 1.00 0.00 H new ATOM 180 N VAL A 15 4.980 3.724 7.404 1.00 0.00 N ATOM 181 CA VAL A 15 3.962 4.686 7.809 1.00 0.00 C ATOM 182 C VAL A 15 3.417 5.448 6.607 1.00 0.00 C ATOM 183 O VAL A 15 4.110 5.628 5.605 1.00 0.00 O ATOM 184 CB VAL A 15 4.518 5.694 8.833 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.394 6.270 9.680 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.574 5.036 9.709 1.00 0.00 C ATOM 0 H VAL A 15 5.541 4.015 6.603 1.00 0.00 H new ATOM 0 HA VAL A 15 3.155 4.117 8.271 1.00 0.00 H new ATOM 0 HB VAL A 15 4.988 6.514 8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.806 6.980 10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.678 6.780 9.036 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.892 5.464 10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.956 5.762 10.426 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.131 4.196 10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.393 4.678 9.085 1.00 0.00 H new ATOM 196 N VAL A 16 2.170 5.896 6.713 1.00 0.00 N ATOM 197 CA VAL A 16 1.531 6.640 5.634 1.00 0.00 C ATOM 198 C VAL A 16 1.728 8.142 5.811 1.00 0.00 C ATOM 199 O VAL A 16 1.540 8.680 6.903 1.00 0.00 O ATOM 200 CB VAL A 16 0.022 6.337 5.560 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.667 7.291 4.597 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.211 4.891 5.150 1.00 0.00 C ATOM 0 H VAL A 16 1.582 5.757 7.535 1.00 0.00 H new ATOM 0 HA VAL A 16 2.004 6.321 4.706 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.410 6.484 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.732 7.062 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.529 8.317 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.235 7.179 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.282 4.694 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.234 4.714 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.248 4.227 5.882 1.00 0.00 H new ATOM 212 N THR A 17 2.109 8.815 4.730 1.00 0.00 N ATOM 213 CA THR A 17 2.333 10.254 4.764 1.00 0.00 C ATOM 214 C THR A 17 1.184 11.006 4.102 1.00 0.00 C ATOM 215 O THR A 17 0.853 12.123 4.496 1.00 0.00 O ATOM 216 CB THR A 17 3.651 10.635 4.065 1.00 0.00 C ATOM 217 OG1 THR A 17 4.109 11.905 4.541 1.00 0.00 O ATOM 218 CG2 THR A 17 3.467 10.689 2.556 1.00 0.00 C ATOM 0 H THR A 17 2.269 8.385 3.819 1.00 0.00 H new ATOM 0 HA THR A 17 2.392 10.539 5.814 1.00 0.00 H new ATOM 0 HB THR A 17 4.394 9.872 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.948 12.139 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.411 10.960 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.147 9.712 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.711 11.434 2.308 1.00 0.00 H new ATOM 226 N GLU A 18 0.579 10.384 3.094 1.00 0.00 N ATOM 227 CA GLU A 18 -0.534 10.996 2.377 1.00 0.00 C ATOM 228 C GLU A 18 -1.591 9.954 2.022 1.00 0.00 C ATOM 229 O GLU A 18 -1.274 8.791 1.770 1.00 0.00 O ATOM 230 CB GLU A 18 -0.033 11.685 1.106 1.00 0.00 C ATOM 231 CG GLU A 18 0.382 13.131 1.321 1.00 0.00 C ATOM 232 CD GLU A 18 -0.774 14.099 1.166 1.00 0.00 C ATOM 233 OE1 GLU A 18 -1.565 14.236 2.123 1.00 0.00 O ATOM 234 OE2 GLU A 18 -0.889 14.720 0.089 1.00 0.00 O ATOM 0 H GLU A 18 0.841 9.458 2.756 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.989 11.741 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.816 11.127 0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.818 11.649 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.809 13.238 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.166 13.390 0.609 1.00 0.00 H new ATOM 241 N THR A 19 -2.850 10.380 2.005 1.00 0.00 N ATOM 242 CA THR A 19 -3.955 9.485 1.683 1.00 0.00 C ATOM 243 C THR A 19 -4.995 10.186 0.816 1.00 0.00 C ATOM 244 O THR A 19 -5.470 11.271 1.153 1.00 0.00 O ATOM 245 CB THR A 19 -4.638 8.954 2.957 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.635 9.965 3.972 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.931 7.710 3.472 1.00 0.00 C ATOM 0 H THR A 19 -3.130 11.339 2.210 1.00 0.00 H new ATOM 0 HA THR A 19 -3.532 8.646 1.131 1.00 0.00 H new ATOM 0 HB THR A 19 -5.666 8.691 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.073 9.620 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.431 7.353 4.372 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.960 6.933 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.894 7.951 3.705 1.00 0.00 H new ATOM 255 N THR A 20 -5.346 9.559 -0.303 1.00 0.00 N ATOM 256 CA THR A 20 -6.330 10.122 -1.218 1.00 0.00 C ATOM 257 C THR A 20 -7.590 9.266 -1.266 1.00 0.00 C ATOM 258 O THR A 20 -7.640 8.185 -0.679 1.00 0.00 O ATOM 259 CB THR A 20 -5.759 10.257 -2.642 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.337 10.411 -2.588 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.376 11.447 -3.362 1.00 0.00 C ATOM 0 H THR A 20 -4.963 8.661 -0.597 1.00 0.00 H new ATOM 0 HA THR A 20 -6.583 11.113 -0.840 1.00 0.00 H new ATOM 0 HB THR A 20 -6.005 9.350 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.013 10.760 -3.444 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.957 11.522 -4.366 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.456 11.312 -3.428 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.158 12.360 -2.809 1.00 0.00 H new ATOM 269 N ALA A 21 -8.606 9.755 -1.970 1.00 0.00 N ATOM 270 CA ALA A 21 -9.865 9.032 -2.097 1.00 0.00 C ATOM 271 C ALA A 21 -9.670 7.716 -2.842 1.00 0.00 C ATOM 272 O ALA A 21 -10.269 6.698 -2.494 1.00 0.00 O ATOM 273 CB ALA A 21 -10.899 9.895 -2.806 1.00 0.00 C ATOM 0 H ALA A 21 -8.581 10.649 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.226 8.801 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.835 9.343 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.068 10.806 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.536 10.155 -3.800 1.00 0.00 H new ATOM 279 N THR A 22 -8.829 7.743 -3.872 1.00 0.00 N ATOM 280 CA THR A 22 -8.557 6.553 -4.668 1.00 0.00 C ATOM 281 C THR A 22 -7.060 6.278 -4.751 1.00 0.00 C ATOM 282 O THR A 22 -6.605 5.520 -5.607 1.00 0.00 O ATOM 283 CB THR A 22 -9.122 6.690 -6.094 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.533 7.819 -6.748 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.635 6.847 -6.064 1.00 0.00 C ATOM 0 H THR A 22 -8.325 8.577 -4.174 1.00 0.00 H new ATOM 0 HA THR A 22 -9.050 5.719 -4.169 1.00 0.00 H new ATOM 0 HB THR A 22 -8.878 5.783 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.896 7.898 -7.655 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.011 6.942 -7.083 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.082 5.972 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.897 7.740 -5.496 1.00 0.00 H new ATOM 293 N SER A 23 -6.298 6.898 -3.855 1.00 0.00 N ATOM 294 CA SER A 23 -4.851 6.721 -3.829 1.00 0.00 C ATOM 295 C SER A 23 -4.326 6.750 -2.397 1.00 0.00 C ATOM 296 O SER A 23 -5.022 7.178 -1.476 1.00 0.00 O ATOM 297 CB SER A 23 -4.168 7.812 -4.657 1.00 0.00 C ATOM 298 OG SER A 23 -4.712 7.875 -5.964 1.00 0.00 O ATOM 0 H SER A 23 -6.659 7.527 -3.138 1.00 0.00 H new ATOM 0 HA SER A 23 -4.621 5.748 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.287 8.776 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.098 7.613 -4.714 1.00 0.00 H new ATOM 0 HG SER A 23 -4.260 8.580 -6.473 1.00 0.00 H new ATOM 304 N VAL A 24 -3.091 6.291 -2.217 1.00 0.00 N ATOM 305 CA VAL A 24 -2.470 6.264 -0.898 1.00 0.00 C ATOM 306 C VAL A 24 -0.950 6.310 -1.005 1.00 0.00 C ATOM 307 O VAL A 24 -0.365 5.761 -1.939 1.00 0.00 O ATOM 308 CB VAL A 24 -2.881 5.007 -0.110 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.500 5.147 1.356 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.372 4.747 -0.259 1.00 0.00 C ATOM 0 H VAL A 24 -2.501 5.933 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.820 7.148 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.344 4.152 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.798 4.249 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.421 5.280 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.007 6.013 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.644 3.855 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.930 5.602 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.612 4.598 -1.312 1.00 0.00 H new ATOM 320 N THR A 25 -0.314 6.969 -0.041 1.00 0.00 N ATOM 321 CA THR A 25 1.138 7.088 -0.027 1.00 0.00 C ATOM 322 C THR A 25 1.745 6.276 1.112 1.00 0.00 C ATOM 323 O THR A 25 1.274 6.334 2.249 1.00 0.00 O ATOM 324 CB THR A 25 1.581 8.557 0.112 1.00 0.00 C ATOM 325 OG1 THR A 25 1.086 9.324 -0.991 1.00 0.00 O ATOM 326 CG2 THR A 25 3.097 8.662 0.169 1.00 0.00 C ATOM 0 H THR A 25 -0.782 7.428 0.740 1.00 0.00 H new ATOM 0 HA THR A 25 1.496 6.697 -0.980 1.00 0.00 H new ATOM 0 HB THR A 25 1.170 8.951 1.042 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.610 10.148 -1.078 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.386 9.708 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.469 8.101 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.525 8.252 -0.746 1.00 0.00 H new ATOM 334 N LEU A 26 2.793 5.521 0.801 1.00 0.00 N ATOM 335 CA LEU A 26 3.465 4.697 1.800 1.00 0.00 C ATOM 336 C LEU A 26 4.957 5.013 1.851 1.00 0.00 C ATOM 337 O LEU A 26 5.620 5.104 0.817 1.00 0.00 O ATOM 338 CB LEU A 26 3.256 3.214 1.491 1.00 0.00 C ATOM 339 CG LEU A 26 3.443 2.251 2.664 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.333 2.434 3.687 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.485 0.812 2.171 1.00 0.00 C ATOM 0 H LEU A 26 3.196 5.462 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 26 3.031 4.923 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.248 3.084 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.947 2.928 0.698 1.00 0.00 H new ATOM 0 HG LEU A 26 4.394 2.477 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.483 1.740 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.350 3.457 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.369 2.236 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.619 0.141 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.550 0.574 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.316 0.689 1.477 1.00 0.00 H new ATOM 353 N THR A 27 5.480 5.177 3.062 1.00 0.00 N ATOM 354 CA THR A 27 6.894 5.481 3.249 1.00 0.00 C ATOM 355 C THR A 27 7.564 4.449 4.148 1.00 0.00 C ATOM 356 O THR A 27 7.012 4.056 5.176 1.00 0.00 O ATOM 357 CB THR A 27 7.091 6.882 3.858 1.00 0.00 C ATOM 358 OG1 THR A 27 6.612 6.901 5.208 1.00 0.00 O ATOM 359 CG2 THR A 27 6.360 7.936 3.040 1.00 0.00 C ATOM 0 H THR A 27 4.946 5.104 3.928 1.00 0.00 H new ATOM 0 HA THR A 27 7.357 5.454 2.262 1.00 0.00 H new ATOM 0 HB THR A 27 8.156 7.112 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.747 6.444 5.254 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.514 8.917 3.490 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.747 7.939 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.294 7.708 3.022 1.00 0.00 H new ATOM 367 N TRP A 28 8.756 4.015 3.756 1.00 0.00 N ATOM 368 CA TRP A 28 9.502 3.028 4.528 1.00 0.00 C ATOM 369 C TRP A 28 10.998 3.140 4.255 1.00 0.00 C ATOM 370 O TRP A 28 11.416 3.797 3.301 1.00 0.00 O ATOM 371 CB TRP A 28 9.015 1.616 4.197 1.00 0.00 C ATOM 372 CG TRP A 28 9.333 1.192 2.795 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.431 0.496 2.378 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.545 1.440 1.625 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.373 0.295 1.020 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.225 0.864 0.535 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.330 2.090 1.393 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.730 0.921 -0.765 1.00 0.00 C ATOM 379 CZ3 TRP A 28 6.840 2.146 0.102 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.539 1.564 -0.964 1.00 0.00 C ATOM 0 H TRP A 28 9.227 4.331 2.908 1.00 0.00 H new ATOM 0 HA TRP A 28 9.329 3.226 5.586 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.468 0.911 4.894 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.937 1.566 4.348 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.228 0.154 3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.071 -0.198 0.463 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.783 2.541 2.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.268 0.473 -1.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.902 2.647 -0.089 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.130 1.624 -1.962 1.00 0.00 H new ATOM 391 N ASP A 29 11.798 2.496 5.097 1.00 0.00 N ATOM 392 CA ASP A 29 13.249 2.523 4.945 1.00 0.00 C ATOM 393 C ASP A 29 13.757 1.215 4.347 1.00 0.00 C ATOM 394 O ASP A 29 13.168 0.154 4.558 1.00 0.00 O ATOM 395 CB ASP A 29 13.920 2.776 6.296 1.00 0.00 C ATOM 396 CG ASP A 29 15.372 3.189 6.152 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.746 3.676 5.065 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.133 3.025 7.128 1.00 0.00 O ATOM 0 H ASP A 29 11.467 1.949 5.892 1.00 0.00 H new ATOM 0 HA ASP A 29 13.504 3.335 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.375 3.555 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.861 1.873 6.903 1.00 0.00 H new ATOM 403 N SER A 30 14.853 1.297 3.600 1.00 0.00 N ATOM 404 CA SER A 30 15.437 0.121 2.968 1.00 0.00 C ATOM 405 C SER A 30 15.514 -1.043 3.951 1.00 0.00 C ATOM 406 O SER A 30 15.110 -2.162 3.639 1.00 0.00 O ATOM 407 CB SER A 30 16.833 0.444 2.432 1.00 0.00 C ATOM 408 OG SER A 30 17.683 0.907 3.468 1.00 0.00 O ATOM 0 H SER A 30 15.354 2.166 3.418 1.00 0.00 H new ATOM 0 HA SER A 30 14.795 -0.170 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.265 -0.446 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.760 1.201 1.651 1.00 0.00 H new ATOM 0 HG SER A 30 18.569 1.105 3.100 1.00 0.00 H new ATOM 414 N GLY A 31 16.038 -0.769 5.143 1.00 0.00 N ATOM 415 CA GLY A 31 16.160 -1.802 6.155 1.00 0.00 C ATOM 416 C GLY A 31 17.402 -2.651 5.970 1.00 0.00 C ATOM 417 O GLY A 31 18.097 -2.963 6.936 1.00 0.00 O ATOM 0 H GLY A 31 16.380 0.150 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.184 -1.339 7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.278 -2.442 6.125 1.00 0.00 H new ATOM 421 N ASN A 32 17.681 -3.026 4.726 1.00 0.00 N ATOM 422 CA ASN A 32 18.847 -3.846 4.419 1.00 0.00 C ATOM 423 C ASN A 32 20.074 -2.975 4.167 1.00 0.00 C ATOM 424 O ASN A 32 19.962 -1.760 4.001 1.00 0.00 O ATOM 425 CB ASN A 32 18.572 -4.724 3.197 1.00 0.00 C ATOM 426 CG ASN A 32 17.712 -5.928 3.531 1.00 0.00 C ATOM 427 OD1 ASN A 32 18.222 -7.028 3.743 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.401 -5.723 3.579 1.00 0.00 N ATOM 0 H ASN A 32 17.116 -2.775 3.915 1.00 0.00 H new ATOM 0 HA ASN A 32 19.047 -4.485 5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.077 -4.129 2.430 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.519 -5.063 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.772 -6.495 3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.023 -4.793 3.396 1.00 0.00 H new ATOM 435 N SER A 33 21.245 -3.604 4.140 1.00 0.00 N ATOM 436 CA SER A 33 22.493 -2.886 3.912 1.00 0.00 C ATOM 437 C SER A 33 22.943 -3.027 2.461 1.00 0.00 C ATOM 438 O SER A 33 23.640 -2.163 1.930 1.00 0.00 O ATOM 439 CB SER A 33 23.585 -3.407 4.849 1.00 0.00 C ATOM 440 OG SER A 33 24.777 -2.655 4.711 1.00 0.00 O ATOM 0 H SER A 33 21.355 -4.609 4.273 1.00 0.00 H new ATOM 0 HA SER A 33 22.319 -1.830 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 33 23.237 -3.357 5.881 1.00 0.00 H new ATOM 0 HB3 SER A 33 23.786 -4.456 4.631 1.00 0.00 H new ATOM 0 HG SER A 33 25.458 -3.007 5.321 1.00 0.00 H new ATOM 446 N GLU A 34 22.540 -4.123 1.826 1.00 0.00 N ATOM 447 CA GLU A 34 22.902 -4.378 0.437 1.00 0.00 C ATOM 448 C GLU A 34 21.817 -3.873 -0.510 1.00 0.00 C ATOM 449 O GLU A 34 20.622 -3.944 -0.219 1.00 0.00 O ATOM 450 CB GLU A 34 23.134 -5.874 0.214 1.00 0.00 C ATOM 451 CG GLU A 34 24.510 -6.348 0.648 1.00 0.00 C ATOM 452 CD GLU A 34 25.629 -5.688 -0.135 1.00 0.00 C ATOM 453 OE1 GLU A 34 25.730 -5.944 -1.353 1.00 0.00 O ATOM 454 OE2 GLU A 34 26.402 -4.917 0.470 1.00 0.00 O ATOM 0 H GLU A 34 21.963 -4.848 2.251 1.00 0.00 H new ATOM 0 HA GLU A 34 23.825 -3.839 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.376 -6.436 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.998 -6.100 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 34 24.643 -6.141 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 34 24.574 -7.429 0.524 1.00 0.00 H new ATOM 461 N PRO A 35 22.241 -3.351 -1.670 1.00 0.00 N ATOM 462 CA PRO A 35 21.322 -2.824 -2.683 1.00 0.00 C ATOM 463 C PRO A 35 20.514 -3.925 -3.362 1.00 0.00 C ATOM 464 O PRO A 35 20.964 -4.531 -4.334 1.00 0.00 O ATOM 465 CB PRO A 35 22.255 -2.148 -3.691 1.00 0.00 C ATOM 466 CG PRO A 35 23.557 -2.854 -3.534 1.00 0.00 C ATOM 467 CD PRO A 35 23.650 -3.235 -2.082 1.00 0.00 C ATOM 0 HA PRO A 35 20.580 -2.153 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 35 21.874 -2.242 -4.708 1.00 0.00 H new ATOM 0 HB3 PRO A 35 22.355 -1.082 -3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 35 23.602 -3.736 -4.172 1.00 0.00 H new ATOM 0 HG3 PRO A 35 24.387 -2.210 -3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.187 -4.174 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 35 24.178 -2.479 -1.501 1.00 0.00 H new ATOM 475 N VAL A 36 19.316 -4.179 -2.842 1.00 0.00 N ATOM 476 CA VAL A 36 18.444 -5.206 -3.399 1.00 0.00 C ATOM 477 C VAL A 36 17.919 -4.797 -4.771 1.00 0.00 C ATOM 478 O VAL A 36 18.002 -3.631 -5.158 1.00 0.00 O ATOM 479 CB VAL A 36 17.250 -5.493 -2.469 1.00 0.00 C ATOM 480 CG1 VAL A 36 17.726 -6.113 -1.164 1.00 0.00 C ATOM 481 CG2 VAL A 36 16.462 -4.219 -2.207 1.00 0.00 C ATOM 0 H VAL A 36 18.928 -3.688 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 36 19.044 -6.111 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 36 16.590 -6.207 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.869 -6.309 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.244 -7.049 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 36 18.407 -5.426 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.622 -4.440 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.110 -3.481 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.088 -3.822 -3.151 1.00 0.00 H new ATOM 491 N THR A 37 17.378 -5.765 -5.504 1.00 0.00 N ATOM 492 CA THR A 37 16.839 -5.507 -6.833 1.00 0.00 C ATOM 493 C THR A 37 15.715 -4.479 -6.781 1.00 0.00 C ATOM 494 O THR A 37 15.754 -3.466 -7.480 1.00 0.00 O ATOM 495 CB THR A 37 16.309 -6.798 -7.485 1.00 0.00 C ATOM 496 OG1 THR A 37 17.371 -7.748 -7.626 1.00 0.00 O ATOM 497 CG2 THR A 37 15.700 -6.505 -8.848 1.00 0.00 C ATOM 0 H THR A 37 17.302 -6.735 -5.199 1.00 0.00 H new ATOM 0 HA THR A 37 17.659 -5.115 -7.435 1.00 0.00 H new ATOM 0 HB THR A 37 15.535 -7.213 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.025 -8.566 -8.040 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.333 -7.432 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.873 -5.804 -8.734 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.458 -6.069 -9.499 1.00 0.00 H new ATOM 505 N TYR A 38 14.715 -4.745 -5.948 1.00 0.00 N ATOM 506 CA TYR A 38 13.578 -3.842 -5.806 1.00 0.00 C ATOM 507 C TYR A 38 12.719 -4.233 -4.608 1.00 0.00 C ATOM 508 O TYR A 38 13.053 -5.156 -3.864 1.00 0.00 O ATOM 509 CB TYR A 38 12.731 -3.851 -7.080 1.00 0.00 C ATOM 510 CG TYR A 38 11.871 -5.086 -7.227 1.00 0.00 C ATOM 511 CD1 TYR A 38 10.596 -5.137 -6.676 1.00 0.00 C ATOM 512 CD2 TYR A 38 12.333 -6.200 -7.915 1.00 0.00 C ATOM 513 CE1 TYR A 38 9.807 -6.264 -6.807 1.00 0.00 C ATOM 514 CE2 TYR A 38 11.550 -7.330 -8.052 1.00 0.00 C ATOM 515 CZ TYR A 38 10.288 -7.357 -7.497 1.00 0.00 C ATOM 516 OH TYR A 38 9.506 -8.481 -7.630 1.00 0.00 O ATOM 0 H TYR A 38 14.668 -5.578 -5.361 1.00 0.00 H new ATOM 0 HA TYR A 38 13.963 -2.836 -5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.090 -2.969 -7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.390 -3.772 -7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.216 -4.282 -6.137 1.00 0.00 H new ATOM 0 HD2 TYR A 38 13.321 -6.183 -8.350 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.819 -6.289 -6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 38 11.924 -8.188 -8.591 1.00 0.00 H new ATOM 0 HH TYR A 38 9.992 -9.159 -8.144 1.00 0.00 H new ATOM 526 N TYR A 39 11.610 -3.525 -4.428 1.00 0.00 N ATOM 527 CA TYR A 39 10.702 -3.795 -3.319 1.00 0.00 C ATOM 528 C TYR A 39 9.269 -3.961 -3.817 1.00 0.00 C ATOM 529 O TYR A 39 8.704 -3.057 -4.429 1.00 0.00 O ATOM 530 CB TYR A 39 10.768 -2.665 -2.291 1.00 0.00 C ATOM 531 CG TYR A 39 12.060 -2.637 -1.505 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.259 -2.291 -2.115 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.081 -2.957 -0.153 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.442 -2.264 -1.402 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.259 -2.932 0.568 1.00 0.00 C ATOM 536 CZ TYR A 39 14.437 -2.585 -0.060 1.00 0.00 C ATOM 537 OH TYR A 39 15.612 -2.560 0.655 1.00 0.00 O ATOM 0 H TYR A 39 11.318 -2.760 -5.036 1.00 0.00 H new ATOM 0 HA TYR A 39 11.014 -4.726 -2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.643 -1.711 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.933 -2.766 -1.598 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.267 -2.039 -3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.161 -3.230 0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.365 -1.993 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.258 -3.183 1.618 1.00 0.00 H new ATOM 0 HH TYR A 39 15.412 -2.462 1.609 1.00 0.00 H new ATOM 547 N GLY A 40 8.687 -5.126 -3.548 1.00 0.00 N ATOM 548 CA GLY A 40 7.326 -5.392 -3.974 1.00 0.00 C ATOM 549 C GLY A 40 6.297 -4.811 -3.024 1.00 0.00 C ATOM 550 O GLY A 40 6.599 -4.542 -1.861 1.00 0.00 O ATOM 0 H GLY A 40 9.135 -5.890 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.172 -4.976 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.177 -6.469 -4.052 1.00 0.00 H new ATOM 554 N ILE A 41 5.080 -4.615 -3.520 1.00 0.00 N ATOM 555 CA ILE A 41 4.005 -4.061 -2.707 1.00 0.00 C ATOM 556 C ILE A 41 2.736 -4.899 -2.829 1.00 0.00 C ATOM 557 O ILE A 41 2.295 -5.217 -3.933 1.00 0.00 O ATOM 558 CB ILE A 41 3.687 -2.608 -3.107 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.928 -1.729 -2.944 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.535 -2.069 -2.272 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.757 -0.333 -3.501 1.00 0.00 C ATOM 0 H ILE A 41 4.814 -4.832 -4.481 1.00 0.00 H new ATOM 0 HA ILE A 41 4.351 -4.077 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 41 3.388 -2.592 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.179 -1.661 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.771 -2.209 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.322 -1.041 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.650 -2.684 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.807 -2.095 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.676 0.234 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.537 -0.391 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.935 0.166 -2.987 1.00 0.00 H new ATOM 573 N GLN A 42 2.154 -5.251 -1.687 1.00 0.00 N ATOM 574 CA GLN A 42 0.935 -6.051 -1.666 1.00 0.00 C ATOM 575 C GLN A 42 -0.131 -5.397 -0.793 1.00 0.00 C ATOM 576 O GLN A 42 0.153 -4.949 0.319 1.00 0.00 O ATOM 577 CB GLN A 42 1.234 -7.461 -1.157 1.00 0.00 C ATOM 578 CG GLN A 42 2.040 -8.303 -2.133 1.00 0.00 C ATOM 579 CD GLN A 42 3.528 -8.024 -2.054 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.962 -7.096 -1.370 1.00 0.00 O ATOM 581 NE2 GLN A 42 4.319 -8.828 -2.755 1.00 0.00 N ATOM 0 H GLN A 42 2.507 -4.995 -0.765 1.00 0.00 H new ATOM 0 HA GLN A 42 0.554 -6.114 -2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.779 -7.390 -0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.293 -7.968 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.861 -9.359 -1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.691 -8.110 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.916 -9.585 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.329 -8.689 -2.740 1.00 0.00 H new ATOM 590 N TYR A 43 -1.356 -5.345 -1.303 1.00 0.00 N ATOM 591 CA TYR A 43 -2.464 -4.743 -0.570 1.00 0.00 C ATOM 592 C TYR A 43 -3.777 -5.450 -0.890 1.00 0.00 C ATOM 593 O TYR A 43 -3.865 -6.214 -1.852 1.00 0.00 O ATOM 594 CB TYR A 43 -2.577 -3.255 -0.907 1.00 0.00 C ATOM 595 CG TYR A 43 -2.600 -2.971 -2.392 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.423 -2.930 -3.130 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.798 -2.742 -3.058 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.439 -2.670 -4.487 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.823 -2.483 -4.414 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.641 -2.448 -5.124 1.00 0.00 C ATOM 601 OH TYR A 43 -2.662 -2.189 -6.476 1.00 0.00 O ATOM 0 H TYR A 43 -1.607 -5.712 -2.221 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.264 -4.853 0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.485 -2.857 -0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.738 -2.724 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.479 -3.104 -2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.726 -2.767 -2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.515 -2.641 -5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.763 -2.309 -4.916 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.588 -2.057 -6.769 1.00 0.00 H new ATOM 611 N ARG A 44 -4.795 -5.190 -0.077 1.00 0.00 N ATOM 612 CA ARG A 44 -6.105 -5.801 -0.272 1.00 0.00 C ATOM 613 C ARG A 44 -7.169 -5.080 0.550 1.00 0.00 C ATOM 614 O ARG A 44 -6.878 -4.524 1.608 1.00 0.00 O ATOM 615 CB ARG A 44 -6.063 -7.281 0.113 1.00 0.00 C ATOM 616 CG ARG A 44 -7.436 -7.926 0.202 1.00 0.00 C ATOM 617 CD ARG A 44 -7.381 -9.251 0.946 1.00 0.00 C ATOM 618 NE ARG A 44 -8.666 -9.592 1.551 1.00 0.00 N ATOM 619 CZ ARG A 44 -8.824 -10.564 2.443 1.00 0.00 C ATOM 620 NH1 ARG A 44 -7.782 -11.286 2.832 1.00 0.00 N ATOM 621 NH2 ARG A 44 -10.025 -10.814 2.948 1.00 0.00 N ATOM 0 H ARG A 44 -4.738 -4.560 0.723 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.365 -5.714 -1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.464 -7.821 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.560 -7.384 1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.124 -7.251 0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.830 -8.087 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.083 -10.042 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.617 -9.200 1.722 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.487 -9.054 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.857 -11.096 2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.905 -12.032 3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.828 -10.260 2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.145 -11.560 3.633 1.00 0.00 H new ATOM 635 N ALA A 45 -8.402 -5.094 0.055 1.00 0.00 N ATOM 636 CA ALA A 45 -9.510 -4.444 0.744 1.00 0.00 C ATOM 637 C ALA A 45 -9.810 -5.132 2.071 1.00 0.00 C ATOM 638 O ALA A 45 -10.298 -6.262 2.099 1.00 0.00 O ATOM 639 CB ALA A 45 -10.748 -4.434 -0.140 1.00 0.00 C ATOM 0 H ALA A 45 -8.659 -5.549 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.221 -3.415 0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.568 -3.946 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.534 -3.891 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.031 -5.459 -0.381 1.00 0.00 H new ATOM 645 N ALA A 46 -9.516 -4.444 3.169 1.00 0.00 N ATOM 646 CA ALA A 46 -9.756 -4.989 4.500 1.00 0.00 C ATOM 647 C ALA A 46 -11.172 -5.542 4.619 1.00 0.00 C ATOM 648 O ALA A 46 -12.093 -4.834 5.026 1.00 0.00 O ATOM 649 CB ALA A 46 -9.512 -3.923 5.558 1.00 0.00 C ATOM 0 H ALA A 46 -9.111 -3.508 3.163 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.059 -5.811 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.695 -4.343 6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.480 -3.578 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.186 -3.083 5.390 1.00 0.00 H new ATOM 655 N GLY A 47 -11.339 -6.811 4.260 1.00 0.00 N ATOM 656 CA GLY A 47 -12.646 -7.437 4.334 1.00 0.00 C ATOM 657 C GLY A 47 -12.941 -8.308 3.129 1.00 0.00 C ATOM 658 O GLY A 47 -13.146 -9.515 3.261 1.00 0.00 O ATOM 0 H GLY A 47 -10.592 -7.417 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.705 -8.042 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.411 -6.665 4.416 1.00 0.00 H new ATOM 662 N THR A 48 -12.963 -7.696 1.949 1.00 0.00 N ATOM 663 CA THR A 48 -13.237 -8.423 0.716 1.00 0.00 C ATOM 664 C THR A 48 -12.456 -9.731 0.664 1.00 0.00 C ATOM 665 O THR A 48 -11.269 -9.769 0.988 1.00 0.00 O ATOM 666 CB THR A 48 -12.887 -7.579 -0.524 1.00 0.00 C ATOM 667 OG1 THR A 48 -13.466 -6.275 -0.408 1.00 0.00 O ATOM 668 CG2 THR A 48 -13.385 -8.251 -1.794 1.00 0.00 C ATOM 0 H THR A 48 -12.794 -6.698 1.822 1.00 0.00 H new ATOM 0 HA THR A 48 -14.305 -8.640 0.708 1.00 0.00 H new ATOM 0 HB THR A 48 -11.802 -7.490 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.237 -5.744 -1.199 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.126 -7.636 -2.656 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.919 -9.231 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.468 -8.368 -1.743 1.00 0.00 H new ATOM 676 N GLU A 49 -13.129 -10.801 0.253 1.00 0.00 N ATOM 677 CA GLU A 49 -12.496 -12.112 0.158 1.00 0.00 C ATOM 678 C GLU A 49 -11.773 -12.272 -1.176 1.00 0.00 C ATOM 679 O GLU A 49 -12.065 -13.185 -1.947 1.00 0.00 O ATOM 680 CB GLU A 49 -13.539 -13.219 0.322 1.00 0.00 C ATOM 681 CG GLU A 49 -14.749 -13.054 -0.581 1.00 0.00 C ATOM 682 CD GLU A 49 -15.703 -14.231 -0.500 1.00 0.00 C ATOM 683 OE1 GLU A 49 -16.325 -14.419 0.566 1.00 0.00 O ATOM 684 OE2 GLU A 49 -15.826 -14.963 -1.504 1.00 0.00 O ATOM 0 H GLU A 49 -14.112 -10.786 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.763 -12.192 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.071 -14.181 0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.871 -13.243 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.280 -12.142 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.415 -12.932 -1.611 1.00 0.00 H new ATOM 691 N GLY A 50 -10.827 -11.375 -1.441 1.00 0.00 N ATOM 692 CA GLY A 50 -10.077 -11.434 -2.682 1.00 0.00 C ATOM 693 C GLY A 50 -8.583 -11.544 -2.452 1.00 0.00 C ATOM 694 O GLY A 50 -8.084 -11.310 -1.351 1.00 0.00 O ATOM 0 H GLY A 50 -10.567 -10.610 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.415 -12.289 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.286 -10.542 -3.272 1.00 0.00 H new ATOM 698 N PRO A 51 -7.843 -11.910 -3.510 1.00 0.00 N ATOM 699 CA PRO A 51 -6.387 -12.061 -3.442 1.00 0.00 C ATOM 700 C PRO A 51 -5.672 -10.723 -3.282 1.00 0.00 C ATOM 701 O PRO A 51 -6.140 -9.695 -3.772 1.00 0.00 O ATOM 702 CB PRO A 51 -6.033 -12.697 -4.789 1.00 0.00 C ATOM 703 CG PRO A 51 -7.135 -12.285 -5.703 1.00 0.00 C ATOM 704 CD PRO A 51 -8.372 -12.205 -4.852 1.00 0.00 C ATOM 0 HA PRO A 51 -6.079 -12.653 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.066 -12.346 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.969 -13.782 -4.710 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.918 -11.323 -6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.263 -13.006 -6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.048 -11.423 -5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.931 -13.140 -4.867 1.00 0.00 H new ATOM 712 N PHE A 52 -4.536 -10.744 -2.593 1.00 0.00 N ATOM 713 CA PHE A 52 -3.757 -9.532 -2.367 1.00 0.00 C ATOM 714 C PHE A 52 -3.013 -9.120 -3.634 1.00 0.00 C ATOM 715 O PHE A 52 -2.307 -9.925 -4.240 1.00 0.00 O ATOM 716 CB PHE A 52 -2.762 -9.745 -1.225 1.00 0.00 C ATOM 717 CG PHE A 52 -3.410 -9.824 0.128 1.00 0.00 C ATOM 718 CD1 PHE A 52 -3.981 -11.007 0.570 1.00 0.00 C ATOM 719 CD2 PHE A 52 -3.448 -8.715 0.958 1.00 0.00 C ATOM 720 CE1 PHE A 52 -4.578 -11.081 1.814 1.00 0.00 C ATOM 721 CE2 PHE A 52 -4.044 -8.784 2.203 1.00 0.00 C ATOM 722 CZ PHE A 52 -4.609 -9.969 2.632 1.00 0.00 C ATOM 0 H PHE A 52 -4.134 -11.587 -2.182 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.446 -8.733 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.205 -10.664 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.040 -8.929 -1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.959 -11.880 -0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.007 -7.786 0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.020 -12.008 2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.068 -7.912 2.840 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.074 -10.026 3.605 1.00 0.00 H new ATOM 732 N GLN A 53 -3.179 -7.861 -4.027 1.00 0.00 N ATOM 733 CA GLN A 53 -2.524 -7.342 -5.222 1.00 0.00 C ATOM 734 C GLN A 53 -1.011 -7.508 -5.130 1.00 0.00 C ATOM 735 O GLN A 53 -0.474 -7.803 -4.063 1.00 0.00 O ATOM 736 CB GLN A 53 -2.876 -5.867 -5.422 1.00 0.00 C ATOM 737 CG GLN A 53 -4.348 -5.627 -5.717 1.00 0.00 C ATOM 738 CD GLN A 53 -4.731 -6.019 -7.131 1.00 0.00 C ATOM 739 OE1 GLN A 53 -5.326 -7.074 -7.355 1.00 0.00 O ATOM 740 NE2 GLN A 53 -4.393 -5.170 -8.094 1.00 0.00 N ATOM 0 H GLN A 53 -3.761 -7.182 -3.536 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.882 -7.913 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.598 -5.311 -4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.280 -5.468 -6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.954 -6.194 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.579 -4.573 -5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.901 -4.307 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.626 -5.381 -9.064 1.00 0.00 H new ATOM 749 N GLU A 54 -0.330 -7.317 -6.256 1.00 0.00 N ATOM 750 CA GLU A 54 1.122 -7.448 -6.301 1.00 0.00 C ATOM 751 C GLU A 54 1.728 -6.442 -7.275 1.00 0.00 C ATOM 752 O GLU A 54 1.307 -6.345 -8.427 1.00 0.00 O ATOM 753 CB GLU A 54 1.516 -8.869 -6.708 1.00 0.00 C ATOM 754 CG GLU A 54 3.010 -9.134 -6.626 1.00 0.00 C ATOM 755 CD GLU A 54 3.352 -10.601 -6.791 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.893 -11.210 -7.781 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.079 -11.142 -5.932 1.00 0.00 O ATOM 0 H GLU A 54 -0.760 -7.071 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 54 1.511 -7.243 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.994 -9.579 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.179 -9.052 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.520 -8.557 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.385 -8.783 -5.665 1.00 0.00 H new ATOM 764 N VAL A 55 2.721 -5.694 -6.802 1.00 0.00 N ATOM 765 CA VAL A 55 3.386 -4.696 -7.630 1.00 0.00 C ATOM 766 C VAL A 55 4.901 -4.861 -7.580 1.00 0.00 C ATOM 767 O VAL A 55 5.505 -4.820 -6.508 1.00 0.00 O ATOM 768 CB VAL A 55 3.022 -3.266 -7.187 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.723 -2.240 -8.065 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.515 -3.067 -7.220 1.00 0.00 C ATOM 0 H VAL A 55 3.082 -5.761 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 55 3.040 -4.851 -8.652 1.00 0.00 H new ATOM 0 HB VAL A 55 3.362 -3.124 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.454 -1.236 -7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.802 -2.370 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.416 -2.378 -9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.275 -2.052 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.149 -3.228 -8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.039 -3.779 -6.545 1.00 0.00 H new ATOM 780 N ASP A 56 5.509 -5.048 -8.746 1.00 0.00 N ATOM 781 CA ASP A 56 6.955 -5.218 -8.835 1.00 0.00 C ATOM 782 C ASP A 56 7.573 -4.152 -9.735 1.00 0.00 C ATOM 783 O ASP A 56 6.995 -3.772 -10.751 1.00 0.00 O ATOM 784 CB ASP A 56 7.294 -6.612 -9.368 1.00 0.00 C ATOM 785 CG ASP A 56 6.610 -6.908 -10.688 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.365 -6.824 -10.745 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.320 -7.225 -11.666 1.00 0.00 O ATOM 0 H ASP A 56 5.024 -5.086 -9.642 1.00 0.00 H new ATOM 0 HA ASP A 56 7.371 -5.109 -7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.373 -6.697 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.999 -7.361 -8.633 1.00 0.00 H new ATOM 792 N GLY A 57 8.753 -3.673 -9.351 1.00 0.00 N ATOM 793 CA GLY A 57 9.429 -2.654 -10.133 1.00 0.00 C ATOM 794 C GLY A 57 9.534 -1.333 -9.397 1.00 0.00 C ATOM 795 O GLY A 57 9.302 -0.272 -9.976 1.00 0.00 O ATOM 0 H GLY A 57 9.252 -3.972 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.429 -3.003 -10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.892 -2.503 -11.069 1.00 0.00 H new ATOM 799 N VAL A 58 9.882 -1.397 -8.116 1.00 0.00 N ATOM 800 CA VAL A 58 10.016 -0.197 -7.300 1.00 0.00 C ATOM 801 C VAL A 58 11.440 -0.042 -6.779 1.00 0.00 C ATOM 802 O VAL A 58 11.802 -0.617 -5.752 1.00 0.00 O ATOM 803 CB VAL A 58 9.044 -0.219 -6.105 1.00 0.00 C ATOM 804 CG1 VAL A 58 9.161 1.064 -5.297 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.615 -0.427 -6.585 1.00 0.00 C ATOM 0 H VAL A 58 10.076 -2.267 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 58 9.773 0.650 -7.942 1.00 0.00 H new ATOM 0 HB VAL A 58 9.312 -1.054 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.467 1.030 -4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.179 1.166 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.921 1.917 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.942 -0.440 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.334 0.386 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.544 -1.376 -7.116 1.00 0.00 H new ATOM 815 N ALA A 59 12.245 0.738 -7.493 1.00 0.00 N ATOM 816 CA ALA A 59 13.629 0.970 -7.101 1.00 0.00 C ATOM 817 C ALA A 59 13.744 2.180 -6.180 1.00 0.00 C ATOM 818 O ALA A 59 14.730 2.916 -6.224 1.00 0.00 O ATOM 819 CB ALA A 59 14.502 1.158 -8.334 1.00 0.00 C ATOM 0 H ALA A 59 11.962 1.220 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 59 13.977 0.095 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.533 1.331 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.453 0.263 -8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.145 2.015 -8.905 1.00 0.00 H new ATOM 825 N THR A 60 12.728 2.382 -5.346 1.00 0.00 N ATOM 826 CA THR A 60 12.714 3.503 -4.416 1.00 0.00 C ATOM 827 C THR A 60 12.172 3.082 -3.055 1.00 0.00 C ATOM 828 O THR A 60 11.619 1.992 -2.905 1.00 0.00 O ATOM 829 CB THR A 60 11.865 4.670 -4.955 1.00 0.00 C ATOM 830 OG1 THR A 60 10.595 4.184 -5.405 1.00 0.00 O ATOM 831 CG2 THR A 60 12.578 5.375 -6.099 1.00 0.00 C ATOM 0 H THR A 60 11.904 1.783 -5.296 1.00 0.00 H new ATOM 0 HA THR A 60 13.746 3.835 -4.306 1.00 0.00 H new ATOM 0 HB THR A 60 11.715 5.385 -4.146 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.889 4.515 -4.812 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.959 6.195 -6.463 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.531 5.769 -5.746 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.755 4.667 -6.909 1.00 0.00 H new ATOM 839 N THR A 61 12.334 3.953 -2.063 1.00 0.00 N ATOM 840 CA THR A 61 11.861 3.671 -0.714 1.00 0.00 C ATOM 841 C THR A 61 10.426 4.148 -0.523 1.00 0.00 C ATOM 842 O THR A 61 9.785 3.833 0.480 1.00 0.00 O ATOM 843 CB THR A 61 12.757 4.339 0.346 1.00 0.00 C ATOM 844 OG1 THR A 61 13.180 5.628 -0.112 1.00 0.00 O ATOM 845 CG2 THR A 61 13.974 3.477 0.647 1.00 0.00 C ATOM 0 H THR A 61 12.789 4.860 -2.169 1.00 0.00 H new ATOM 0 HA THR A 61 11.901 2.589 -0.585 1.00 0.00 H new ATOM 0 HB THR A 61 12.177 4.452 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.748 6.047 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.592 3.969 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.649 2.507 1.023 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.555 3.336 -0.265 1.00 0.00 H new ATOM 853 N ARG A 62 9.926 4.908 -1.492 1.00 0.00 N ATOM 854 CA ARG A 62 8.566 5.429 -1.429 1.00 0.00 C ATOM 855 C ARG A 62 7.788 5.070 -2.693 1.00 0.00 C ATOM 856 O ARG A 62 8.331 5.100 -3.797 1.00 0.00 O ATOM 857 CB ARG A 62 8.586 6.947 -1.244 1.00 0.00 C ATOM 858 CG ARG A 62 7.364 7.489 -0.521 1.00 0.00 C ATOM 859 CD ARG A 62 7.493 8.979 -0.248 1.00 0.00 C ATOM 860 NE ARG A 62 8.667 9.287 0.564 1.00 0.00 N ATOM 861 CZ ARG A 62 9.883 9.463 0.060 1.00 0.00 C ATOM 862 NH1 ARG A 62 10.084 9.362 -1.246 1.00 0.00 N ATOM 863 NH2 ARG A 62 10.902 9.740 0.864 1.00 0.00 N ATOM 0 H ARG A 62 10.442 5.176 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 62 8.068 4.973 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.480 7.225 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.660 7.423 -2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.473 7.304 -1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.231 6.956 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.555 9.517 -1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.597 9.333 0.261 1.00 0.00 H new ATOM 0 HE ARG A 62 8.546 9.372 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.304 9.149 -1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.019 9.498 -1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.751 9.818 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.836 9.875 0.476 1.00 0.00 H new ATOM 877 N TYR A 63 6.515 4.732 -2.521 1.00 0.00 N ATOM 878 CA TYR A 63 5.664 4.365 -3.646 1.00 0.00 C ATOM 879 C TYR A 63 4.194 4.610 -3.320 1.00 0.00 C ATOM 880 O TYR A 63 3.715 4.245 -2.246 1.00 0.00 O ATOM 881 CB TYR A 63 5.877 2.896 -4.017 1.00 0.00 C ATOM 882 CG TYR A 63 5.011 2.429 -5.165 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.718 1.971 -4.943 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.485 2.448 -6.471 1.00 0.00 C ATOM 885 CE1 TYR A 63 2.923 1.543 -5.989 1.00 0.00 C ATOM 886 CE2 TYR A 63 4.697 2.022 -7.523 1.00 0.00 C ATOM 887 CZ TYR A 63 3.417 1.571 -7.277 1.00 0.00 C ATOM 888 OH TYR A 63 2.628 1.146 -8.321 1.00 0.00 O ATOM 0 H TYR A 63 6.050 4.705 -1.614 1.00 0.00 H new ATOM 0 HA TYR A 63 5.939 4.991 -4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.924 2.744 -4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.673 2.276 -3.144 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.328 1.949 -3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.486 2.802 -6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.921 1.189 -5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.081 2.042 -8.532 1.00 0.00 H new ATOM 0 HH TYR A 63 3.124 1.231 -9.162 1.00 0.00 H new ATOM 898 N SER A 64 3.483 5.232 -4.255 1.00 0.00 N ATOM 899 CA SER A 64 2.068 5.530 -4.067 1.00 0.00 C ATOM 900 C SER A 64 1.196 4.493 -4.770 1.00 0.00 C ATOM 901 O SER A 64 1.514 4.043 -5.871 1.00 0.00 O ATOM 902 CB SER A 64 1.744 6.928 -4.597 1.00 0.00 C ATOM 903 OG SER A 64 1.615 6.921 -6.008 1.00 0.00 O ATOM 0 H SER A 64 3.864 5.539 -5.150 1.00 0.00 H new ATOM 0 HA SER A 64 1.854 5.496 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.819 7.286 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.531 7.623 -4.304 1.00 0.00 H new ATOM 0 HG SER A 64 1.406 7.826 -6.322 1.00 0.00 H new ATOM 909 N ILE A 65 0.096 4.119 -4.125 1.00 0.00 N ATOM 910 CA ILE A 65 -0.822 3.137 -4.688 1.00 0.00 C ATOM 911 C ILE A 65 -2.073 3.809 -5.243 1.00 0.00 C ATOM 912 O ILE A 65 -2.525 4.828 -4.724 1.00 0.00 O ATOM 913 CB ILE A 65 -1.238 2.089 -3.639 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.007 1.350 -3.108 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.235 1.108 -4.236 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.645 2.034 -1.926 1.00 0.00 C ATOM 0 H ILE A 65 -0.181 4.481 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.291 2.637 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.718 2.602 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.296 0.340 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.724 1.255 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.519 0.374 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.122 1.648 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.780 0.598 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.510 1.455 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.966 3.035 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.071 2.106 -1.107 1.00 0.00 H new ATOM 928 N GLY A 66 -2.630 3.228 -6.302 1.00 0.00 N ATOM 929 CA GLY A 66 -3.826 3.783 -6.909 1.00 0.00 C ATOM 930 C GLY A 66 -4.773 2.711 -7.410 1.00 0.00 C ATOM 931 O GLY A 66 -4.355 1.590 -7.699 1.00 0.00 O ATOM 0 H GLY A 66 -2.274 2.383 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.343 4.408 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.542 4.429 -7.739 1.00 0.00 H new ATOM 935 N GLY A 67 -6.053 3.055 -7.512 1.00 0.00 N ATOM 936 CA GLY A 67 -7.042 2.101 -7.980 1.00 0.00 C ATOM 937 C GLY A 67 -7.941 1.604 -6.866 1.00 0.00 C ATOM 938 O GLY A 67 -8.537 0.531 -6.971 1.00 0.00 O ATOM 0 H GLY A 67 -6.423 3.977 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.652 2.565 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.535 1.252 -8.439 1.00 0.00 H new ATOM 942 N LEU A 68 -8.039 2.384 -5.795 1.00 0.00 N ATOM 943 CA LEU A 68 -8.871 2.016 -4.654 1.00 0.00 C ATOM 944 C LEU A 68 -10.174 2.809 -4.653 1.00 0.00 C ATOM 945 O LEU A 68 -10.386 3.676 -5.501 1.00 0.00 O ATOM 946 CB LEU A 68 -8.114 2.256 -3.347 1.00 0.00 C ATOM 947 CG LEU A 68 -6.702 1.673 -3.272 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.981 2.177 -2.032 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.752 0.152 -3.281 1.00 0.00 C ATOM 0 H LEU A 68 -7.553 3.275 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.112 0.956 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.051 3.331 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.701 1.840 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.146 2.004 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.978 1.751 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.913 3.264 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.535 1.877 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.739 -0.246 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.325 -0.198 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.228 -0.191 -4.200 1.00 0.00 H new ATOM 961 N SER A 69 -11.044 2.506 -3.695 1.00 0.00 N ATOM 962 CA SER A 69 -12.328 3.189 -3.584 1.00 0.00 C ATOM 963 C SER A 69 -12.294 4.232 -2.471 1.00 0.00 C ATOM 964 O SER A 69 -11.570 4.100 -1.484 1.00 0.00 O ATOM 965 CB SER A 69 -13.445 2.179 -3.318 1.00 0.00 C ATOM 966 OG SER A 69 -13.882 1.573 -4.523 1.00 0.00 O ATOM 0 H SER A 69 -10.883 1.792 -2.984 1.00 0.00 H new ATOM 0 HA SER A 69 -12.524 3.697 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.090 1.412 -2.629 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.284 2.679 -2.833 1.00 0.00 H new ATOM 0 HG SER A 69 -14.595 0.930 -4.326 1.00 0.00 H new ATOM 972 N PRO A 70 -13.097 5.294 -2.632 1.00 0.00 N ATOM 973 CA PRO A 70 -13.178 6.381 -1.652 1.00 0.00 C ATOM 974 C PRO A 70 -13.854 5.944 -0.357 1.00 0.00 C ATOM 975 O PRO A 70 -14.852 5.224 -0.378 1.00 0.00 O ATOM 976 CB PRO A 70 -14.023 7.440 -2.365 1.00 0.00 C ATOM 977 CG PRO A 70 -14.841 6.673 -3.346 1.00 0.00 C ATOM 978 CD PRO A 70 -13.987 5.516 -3.784 1.00 0.00 C ATOM 0 HA PRO A 70 -12.191 6.734 -1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.654 7.983 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.395 8.178 -2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.768 6.323 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.118 7.297 -4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.588 4.633 -4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.424 5.751 -4.687 1.00 0.00 H new ATOM 986 N PHE A 71 -13.304 6.384 0.770 1.00 0.00 N ATOM 987 CA PHE A 71 -13.854 6.037 2.075 1.00 0.00 C ATOM 988 C PHE A 71 -13.821 4.528 2.296 1.00 0.00 C ATOM 989 O PHE A 71 -14.825 3.922 2.670 1.00 0.00 O ATOM 990 CB PHE A 71 -15.290 6.551 2.200 1.00 0.00 C ATOM 991 CG PHE A 71 -15.711 6.814 3.617 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.083 7.793 4.370 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.736 6.084 4.197 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.468 8.037 5.675 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.126 6.324 5.501 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.492 7.303 6.240 1.00 0.00 C ATOM 0 H PHE A 71 -12.478 6.981 0.806 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.238 6.511 2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.390 7.470 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.968 5.822 1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.283 8.372 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.236 5.318 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.968 8.801 6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.925 5.747 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.797 7.494 7.258 1.00 0.00 H new ATOM 1006 N SER A 72 -12.658 3.927 2.061 1.00 0.00 N ATOM 1007 CA SER A 72 -12.494 2.488 2.230 1.00 0.00 C ATOM 1008 C SER A 72 -11.262 2.177 3.075 1.00 0.00 C ATOM 1009 O SER A 72 -10.465 3.064 3.378 1.00 0.00 O ATOM 1010 CB SER A 72 -12.377 1.803 0.867 1.00 0.00 C ATOM 1011 OG SER A 72 -11.261 2.294 0.144 1.00 0.00 O ATOM 0 H SER A 72 -11.816 4.414 1.753 1.00 0.00 H new ATOM 0 HA SER A 72 -13.374 2.105 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.280 0.726 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.288 1.970 0.293 1.00 0.00 H new ATOM 0 HG SER A 72 -11.554 2.997 -0.473 1.00 0.00 H new ATOM 1017 N GLU A 73 -11.115 0.911 3.452 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.981 0.483 4.263 1.00 0.00 C ATOM 1019 C GLU A 73 -9.139 -0.549 3.519 1.00 0.00 C ATOM 1020 O GLU A 73 -9.662 -1.536 3.001 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.467 -0.101 5.591 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.459 0.032 6.720 1.00 0.00 C ATOM 1023 CD GLU A 73 -10.060 -0.270 8.079 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -11.269 -0.015 8.262 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.323 -0.762 8.958 1.00 0.00 O ATOM 0 H GLU A 73 -11.766 0.164 3.209 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.360 1.356 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.392 0.398 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.704 -1.155 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.624 -0.645 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.054 1.044 6.723 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.833 -0.314 3.470 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.918 -1.221 2.787 1.00 0.00 C ATOM 1034 C TYR A 74 -5.619 -1.376 3.572 1.00 0.00 C ATOM 1035 O TYR A 74 -5.131 -0.425 4.181 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.617 -0.709 1.377 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.699 -1.034 0.372 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.844 -0.253 0.278 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.576 -2.122 -0.483 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.835 -0.546 -0.639 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.561 -2.421 -1.404 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.689 -1.631 -1.478 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.673 -1.927 -2.392 1.00 0.00 O ATOM 0 H TYR A 74 -7.384 0.497 3.895 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.398 -2.197 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.479 0.372 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.675 -1.139 1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.961 0.598 0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.695 -2.745 -0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.719 0.071 -0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.448 -3.269 -2.063 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.414 -2.721 -2.906 1.00 0.00 H new ATOM 1053 N ALA A 75 -5.063 -2.583 3.550 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.819 -2.865 4.256 1.00 0.00 C ATOM 1055 C ALA A 75 -2.639 -2.909 3.292 1.00 0.00 C ATOM 1056 O ALA A 75 -2.704 -3.553 2.245 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.931 -4.177 5.019 1.00 0.00 C ATOM 0 H ALA A 75 -5.455 -3.382 3.051 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.642 -2.058 4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.995 -4.375 5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.743 -4.109 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.135 -4.988 4.320 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.561 -2.221 3.653 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.365 -2.181 2.818 1.00 0.00 C ATOM 1065 C PHE A 76 0.803 -2.879 3.508 1.00 0.00 C ATOM 1066 O PHE A 76 0.936 -2.828 4.731 1.00 0.00 O ATOM 1067 CB PHE A 76 0.009 -0.733 2.496 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.073 0.020 1.776 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.270 -0.155 0.416 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.893 0.904 2.460 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.266 0.535 -0.249 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.890 1.597 1.800 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.075 1.414 0.443 1.00 0.00 C ATOM 0 H PHE A 76 -1.490 -1.684 4.517 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.582 -2.708 1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.247 -0.213 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.912 -0.727 1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.638 -0.839 -0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.751 1.053 3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.411 0.387 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.524 2.281 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.851 1.958 -0.075 1.00 0.00 H new ATOM 1083 N ARG A 77 1.648 -3.530 2.715 1.00 0.00 N ATOM 1084 CA ARG A 77 2.804 -4.239 3.248 1.00 0.00 C ATOM 1085 C ARG A 77 3.894 -4.377 2.189 1.00 0.00 C ATOM 1086 O ARG A 77 3.678 -4.976 1.135 1.00 0.00 O ATOM 1087 CB ARG A 77 2.392 -5.623 3.754 1.00 0.00 C ATOM 1088 CG ARG A 77 1.827 -6.525 2.668 1.00 0.00 C ATOM 1089 CD ARG A 77 1.200 -7.779 3.256 1.00 0.00 C ATOM 1090 NE ARG A 77 0.411 -8.511 2.268 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.227 -9.646 2.532 1.00 0.00 C ATOM 1092 NH1 ARG A 77 -0.169 -10.176 3.746 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -0.925 -10.253 1.581 1.00 0.00 N ATOM 0 H ARG A 77 1.553 -3.581 1.701 1.00 0.00 H new ATOM 0 HA ARG A 77 3.202 -3.659 4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.258 -6.109 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.647 -5.506 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.080 -5.979 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.621 -6.804 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.984 -8.428 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.564 -7.506 4.098 1.00 0.00 H new ATOM 0 HE ARG A 77 0.346 -8.130 1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.366 -9.712 4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.660 -11.048 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.972 -9.848 0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.414 -11.124 1.785 1.00 0.00 H new ATOM 1107 N VAL A 78 5.065 -3.818 2.476 1.00 0.00 N ATOM 1108 CA VAL A 78 6.189 -3.879 1.548 1.00 0.00 C ATOM 1109 C VAL A 78 7.127 -5.029 1.897 1.00 0.00 C ATOM 1110 O VAL A 78 7.104 -5.547 3.014 1.00 0.00 O ATOM 1111 CB VAL A 78 6.987 -2.562 1.547 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.035 -2.573 0.445 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.051 -1.372 1.393 1.00 0.00 C ATOM 0 H VAL A 78 5.261 -3.318 3.343 1.00 0.00 H new ATOM 0 HA VAL A 78 5.772 -4.043 0.554 1.00 0.00 H new ATOM 0 HB VAL A 78 7.502 -2.469 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.589 -1.634 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.723 -3.403 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.545 -2.690 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.632 -0.450 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.507 -1.457 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.343 -1.356 2.222 1.00 0.00 H new ATOM 1123 N LEU A 79 7.952 -5.424 0.933 1.00 0.00 N ATOM 1124 CA LEU A 79 8.900 -6.514 1.138 1.00 0.00 C ATOM 1125 C LEU A 79 10.067 -6.410 0.161 1.00 0.00 C ATOM 1126 O LEU A 79 9.871 -6.365 -1.053 1.00 0.00 O ATOM 1127 CB LEU A 79 8.200 -7.863 0.971 1.00 0.00 C ATOM 1128 CG LEU A 79 7.236 -7.979 -0.210 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.973 -8.448 -1.455 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.093 -8.926 0.124 1.00 0.00 C ATOM 0 H LEU A 79 7.984 -5.006 0.003 1.00 0.00 H new ATOM 0 HA LEU A 79 9.291 -6.438 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.963 -8.635 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.649 -8.079 1.886 1.00 0.00 H new ATOM 0 HG LEU A 79 6.816 -6.993 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.272 -8.525 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.756 -7.732 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.421 -9.424 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.417 -8.996 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.494 -9.914 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.548 -8.548 0.989 1.00 0.00 H new ATOM 1142 N ALA A 80 11.282 -6.374 0.700 1.00 0.00 N ATOM 1143 CA ALA A 80 12.480 -6.280 -0.124 1.00 0.00 C ATOM 1144 C ALA A 80 12.645 -7.520 -0.996 1.00 0.00 C ATOM 1145 O ALA A 80 12.337 -8.634 -0.574 1.00 0.00 O ATOM 1146 CB ALA A 80 13.709 -6.082 0.752 1.00 0.00 C ATOM 0 H ALA A 80 11.462 -6.409 1.703 1.00 0.00 H new ATOM 0 HA ALA A 80 12.372 -5.417 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.597 -6.013 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.601 -5.163 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.811 -6.927 1.432 1.00 0.00 H new ATOM 1152 N VAL A 81 13.133 -7.319 -2.216 1.00 0.00 N ATOM 1153 CA VAL A 81 13.340 -8.420 -3.149 1.00 0.00 C ATOM 1154 C VAL A 81 14.647 -8.255 -3.915 1.00 0.00 C ATOM 1155 O VAL A 81 15.043 -7.140 -4.254 1.00 0.00 O ATOM 1156 CB VAL A 81 12.178 -8.529 -4.155 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.257 -9.841 -4.921 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.841 -8.399 -3.441 1.00 0.00 C ATOM 0 H VAL A 81 13.393 -6.403 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 81 13.384 -9.333 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 81 12.262 -7.712 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.429 -9.901 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.201 -9.889 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.198 -10.675 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.032 -8.478 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.745 -9.194 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.787 -7.431 -2.942 1.00 0.00 H new ATOM 1168 N ASN A 82 15.314 -9.372 -4.185 1.00 0.00 N ATOM 1169 CA ASN A 82 16.579 -9.351 -4.911 1.00 0.00 C ATOM 1170 C ASN A 82 16.884 -10.720 -5.511 1.00 0.00 C ATOM 1171 O ASN A 82 16.071 -11.641 -5.430 1.00 0.00 O ATOM 1172 CB ASN A 82 17.717 -8.923 -3.983 1.00 0.00 C ATOM 1173 CG ASN A 82 18.294 -10.087 -3.201 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.103 -10.857 -3.720 1.00 0.00 O ATOM 1175 ND2 ASN A 82 17.880 -10.220 -1.947 1.00 0.00 N ATOM 0 H ASN A 82 15.000 -10.303 -3.912 1.00 0.00 H new ATOM 0 HA ASN A 82 16.491 -8.629 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.507 -8.457 -4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.351 -8.168 -3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.234 -10.984 -1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.208 -9.558 -1.559 1.00 0.00 H new ATOM 1182 N SER A 83 18.063 -10.847 -6.113 1.00 0.00 N ATOM 1183 CA SER A 83 18.475 -12.103 -6.729 1.00 0.00 C ATOM 1184 C SER A 83 17.943 -13.295 -5.941 1.00 0.00 C ATOM 1185 O SER A 83 17.347 -14.212 -6.508 1.00 0.00 O ATOM 1186 CB SER A 83 20.001 -12.175 -6.817 1.00 0.00 C ATOM 1187 OG SER A 83 20.532 -11.012 -7.429 1.00 0.00 O ATOM 0 H SER A 83 18.749 -10.096 -6.187 1.00 0.00 H new ATOM 0 HA SER A 83 18.058 -12.140 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.421 -12.288 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.294 -13.056 -7.388 1.00 0.00 H new ATOM 0 HG SER A 83 21.509 -11.082 -7.472 1.00 0.00 H new ATOM 1193 N ILE A 84 18.163 -13.276 -4.630 1.00 0.00 N ATOM 1194 CA ILE A 84 17.706 -14.355 -3.764 1.00 0.00 C ATOM 1195 C ILE A 84 16.193 -14.528 -3.853 1.00 0.00 C ATOM 1196 O ILE A 84 15.700 -15.608 -4.174 1.00 0.00 O ATOM 1197 CB ILE A 84 18.096 -14.101 -2.295 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.595 -13.817 -2.185 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.712 -15.294 -1.432 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.433 -14.602 -3.170 1.00 0.00 C ATOM 0 H ILE A 84 18.655 -12.525 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 84 18.195 -15.266 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 84 17.553 -13.227 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.767 -12.752 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.927 -14.048 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.994 -15.100 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.635 -15.454 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.231 -16.183 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.485 -14.350 -3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.290 -15.669 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.128 -14.353 -4.186 1.00 0.00 H new ATOM 1212 N GLY A 85 15.462 -13.455 -3.569 1.00 0.00 N ATOM 1213 CA GLY A 85 14.013 -13.508 -3.625 1.00 0.00 C ATOM 1214 C GLY A 85 13.360 -12.409 -2.811 1.00 0.00 C ATOM 1215 O GLY A 85 14.018 -11.447 -2.415 1.00 0.00 O ATOM 0 H GLY A 85 15.847 -12.549 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.690 -13.428 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.674 -14.477 -3.259 1.00 0.00 H new ATOM 1219 N ARG A 86 12.062 -12.549 -2.563 1.00 0.00 N ATOM 1220 CA ARG A 86 11.320 -11.559 -1.793 1.00 0.00 C ATOM 1221 C ARG A 86 11.219 -11.972 -0.328 1.00 0.00 C ATOM 1222 O ARG A 86 10.526 -12.930 0.011 1.00 0.00 O ATOM 1223 CB ARG A 86 9.919 -11.372 -2.379 1.00 0.00 C ATOM 1224 CG ARG A 86 9.258 -12.673 -2.805 1.00 0.00 C ATOM 1225 CD ARG A 86 9.546 -12.992 -4.264 1.00 0.00 C ATOM 1226 NE ARG A 86 10.743 -13.813 -4.419 1.00 0.00 N ATOM 1227 CZ ARG A 86 10.788 -15.109 -4.132 1.00 0.00 C ATOM 1228 NH1 ARG A 86 9.707 -15.729 -3.678 1.00 0.00 N ATOM 1229 NH2 ARG A 86 11.915 -15.789 -4.300 1.00 0.00 N ATOM 0 H ARG A 86 11.503 -13.339 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 86 11.860 -10.614 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.288 -10.879 -1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.980 -10.707 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.616 -13.488 -2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.181 -12.602 -2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.691 -13.512 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.669 -12.063 -4.821 1.00 0.00 H new ATOM 0 HE ARG A 86 11.592 -13.367 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.838 -15.210 -3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.744 -16.724 -3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.748 -15.316 -4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.948 -16.784 -4.079 1.00 0.00 H new ATOM 1243 N GLY A 87 11.917 -11.242 0.537 1.00 0.00 N ATOM 1244 CA GLY A 87 11.894 -11.549 1.955 1.00 0.00 C ATOM 1245 C GLY A 87 10.502 -11.444 2.548 1.00 0.00 C ATOM 1246 O GLY A 87 9.515 -11.253 1.838 1.00 0.00 O ATOM 0 H GLY A 87 12.498 -10.444 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.277 -12.557 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.563 -10.868 2.482 1.00 0.00 H new ATOM 1250 N PRO A 88 10.411 -11.572 3.880 1.00 0.00 N ATOM 1251 CA PRO A 88 9.135 -11.495 4.597 1.00 0.00 C ATOM 1252 C PRO A 88 8.553 -10.086 4.595 1.00 0.00 C ATOM 1253 O PRO A 88 9.276 -9.089 4.564 1.00 0.00 O ATOM 1254 CB PRO A 88 9.503 -11.919 6.021 1.00 0.00 C ATOM 1255 CG PRO A 88 10.950 -11.592 6.153 1.00 0.00 C ATOM 1256 CD PRO A 88 11.547 -11.801 4.789 1.00 0.00 C ATOM 0 HA PRO A 88 8.370 -12.119 4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.907 -11.383 6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.322 -12.983 6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.089 -10.564 6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.430 -12.234 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.363 -11.104 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.954 -12.806 4.678 1.00 0.00 H new ATOM 1264 N PRO A 89 7.215 -9.997 4.628 1.00 0.00 N ATOM 1265 CA PRO A 89 6.506 -8.714 4.631 1.00 0.00 C ATOM 1266 C PRO A 89 6.687 -7.955 5.941 1.00 0.00 C ATOM 1267 O PRO A 89 6.784 -8.558 7.010 1.00 0.00 O ATOM 1268 CB PRO A 89 5.041 -9.117 4.444 1.00 0.00 C ATOM 1269 CG PRO A 89 4.962 -10.509 4.970 1.00 0.00 C ATOM 1270 CD PRO A 89 6.291 -11.143 4.666 1.00 0.00 C ATOM 0 HA PRO A 89 6.879 -8.041 3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.374 -8.449 4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.749 -9.073 3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.765 -10.510 6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.149 -11.060 4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.577 -11.864 5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.274 -11.677 3.716 1.00 0.00 H new ATOM 1278 N SER A 90 6.731 -6.630 5.851 1.00 0.00 N ATOM 1279 CA SER A 90 6.903 -5.789 7.030 1.00 0.00 C ATOM 1280 C SER A 90 5.586 -5.636 7.786 1.00 0.00 C ATOM 1281 O SER A 90 4.519 -5.959 7.265 1.00 0.00 O ATOM 1282 CB SER A 90 7.435 -4.412 6.627 1.00 0.00 C ATOM 1283 OG SER A 90 7.446 -3.526 7.733 1.00 0.00 O ATOM 0 H SER A 90 6.650 -6.115 4.974 1.00 0.00 H new ATOM 0 HA SER A 90 7.625 -6.272 7.688 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.444 -4.511 6.227 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.816 -3.998 5.831 1.00 0.00 H new ATOM 0 HG SER A 90 8.233 -2.944 7.678 1.00 0.00 H new ATOM 1289 N GLU A 91 5.672 -5.143 9.017 1.00 0.00 N ATOM 1290 CA GLU A 91 4.488 -4.949 9.845 1.00 0.00 C ATOM 1291 C GLU A 91 3.332 -4.391 9.020 1.00 0.00 C ATOM 1292 O GLU A 91 3.256 -3.188 8.771 1.00 0.00 O ATOM 1293 CB GLU A 91 4.800 -4.004 11.008 1.00 0.00 C ATOM 1294 CG GLU A 91 5.413 -4.701 12.211 1.00 0.00 C ATOM 1295 CD GLU A 91 5.272 -3.895 13.487 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.994 -2.885 13.633 1.00 0.00 O ATOM 1297 OE2 GLU A 91 4.442 -4.272 14.339 1.00 0.00 O ATOM 0 H GLU A 91 6.548 -4.871 9.463 1.00 0.00 H new ATOM 0 HA GLU A 91 4.193 -5.920 10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.483 -3.228 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.881 -3.506 11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.937 -5.672 12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.470 -4.888 12.019 1.00 0.00 H new ATOM 1304 N ALA A 92 2.434 -5.275 8.598 1.00 0.00 N ATOM 1305 CA ALA A 92 1.281 -4.872 7.801 1.00 0.00 C ATOM 1306 C ALA A 92 0.571 -3.677 8.428 1.00 0.00 C ATOM 1307 O ALA A 92 0.247 -3.688 9.616 1.00 0.00 O ATOM 1308 CB ALA A 92 0.316 -6.038 7.643 1.00 0.00 C ATOM 0 H ALA A 92 2.482 -6.275 8.794 1.00 0.00 H new ATOM 0 HA ALA A 92 1.638 -4.573 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.540 -5.723 7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.822 -6.864 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.026 -6.363 8.626 1.00 0.00 H new ATOM 1314 N VAL A 93 0.334 -2.647 7.623 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.338 -1.443 8.099 1.00 0.00 C ATOM 1316 C VAL A 93 -1.669 -1.237 7.384 1.00 0.00 C ATOM 1317 O VAL A 93 -1.872 -1.731 6.275 1.00 0.00 O ATOM 1318 CB VAL A 93 0.539 -0.194 7.898 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.892 -0.377 8.568 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.706 0.107 6.416 1.00 0.00 C ATOM 0 H VAL A 93 0.597 -2.621 6.638 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.519 -1.582 9.165 1.00 0.00 H new ATOM 0 HB VAL A 93 0.041 0.656 8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.498 0.516 8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.750 -0.540 9.636 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.400 -1.238 8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.329 0.993 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.181 -0.742 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.272 0.286 5.969 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.572 -0.505 8.027 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.885 -0.234 7.452 1.00 0.00 C ATOM 1332 C ARG A 94 -4.123 1.268 7.325 1.00 0.00 C ATOM 1333 O ARG A 94 -3.849 2.030 8.252 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.981 -0.864 8.312 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.096 -2.370 8.146 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.268 -2.931 8.936 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.425 -4.369 8.736 1.00 0.00 N ATOM 1338 CZ ARG A 94 -7.338 -5.103 9.362 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -8.172 -4.536 10.224 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -7.419 -6.406 9.127 1.00 0.00 N ATOM 0 H ARG A 94 -2.419 -0.089 8.946 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.916 -0.675 6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.784 -0.637 9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.937 -0.405 8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.219 -2.612 7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.172 -2.845 8.477 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.121 -2.726 9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.184 -2.421 8.637 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.799 -4.835 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.113 -3.534 10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.872 -5.102 10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.780 -6.846 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.121 -6.968 9.608 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.634 1.686 6.172 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.910 3.095 5.924 1.00 0.00 C ATOM 1356 C ALA A 95 -6.251 3.277 5.221 1.00 0.00 C ATOM 1357 O ALA A 95 -6.474 2.730 4.140 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.791 3.716 5.100 1.00 0.00 C ATOM 0 H ALA A 95 -4.865 1.068 5.394 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.962 3.604 6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.011 4.769 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.849 3.628 5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.711 3.196 4.145 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.139 4.047 5.840 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.459 4.298 5.274 1.00 0.00 C ATOM 1366 C ARG A 96 -8.428 5.501 4.336 1.00 0.00 C ATOM 1367 O ARG A 96 -7.987 6.587 4.715 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.480 4.533 6.388 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.912 4.239 5.975 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.881 4.460 7.126 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.795 5.816 7.661 1.00 0.00 N ATOM 1372 CZ ARG A 96 -12.749 6.380 8.393 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.856 5.707 8.676 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -12.597 7.618 8.845 1.00 0.00 N ATOM 0 H ARG A 96 -6.969 4.508 6.734 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.754 3.419 4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.222 3.908 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.412 5.569 6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.189 4.879 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.987 3.209 5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.898 4.269 6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.671 3.743 7.920 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.956 6.360 7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.976 4.754 8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.588 6.142 9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.746 8.138 8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.331 8.049 9.407 1.00 0.00 H new ATOM 1388 N THR A 97 -8.898 5.301 3.108 1.00 0.00 N ATOM 1389 CA THR A 97 -8.922 6.368 2.115 1.00 0.00 C ATOM 1390 C THR A 97 -9.988 7.405 2.449 1.00 0.00 C ATOM 1391 O THR A 97 -10.947 7.116 3.164 1.00 0.00 O ATOM 1392 CB THR A 97 -9.186 5.814 0.702 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.541 5.363 0.598 1.00 0.00 O ATOM 1394 CG2 THR A 97 -8.238 4.667 0.385 1.00 0.00 C ATOM 0 H THR A 97 -9.267 4.409 2.778 1.00 0.00 H new ATOM 0 HA THR A 97 -7.940 6.841 2.134 1.00 0.00 H new ATOM 0 HB THR A 97 -9.014 6.615 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.650 4.843 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.443 4.292 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.208 5.021 0.436 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.382 3.865 1.109 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.814 8.615 1.926 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.770 9.677 2.180 1.00 0.00 C ATOM 1404 C GLY A 98 -11.985 9.591 1.277 1.00 0.00 C ATOM 1405 O GLY A 98 -11.960 8.905 0.256 1.00 0.00 O ATOM 0 H GLY A 98 -9.028 8.879 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.091 9.632 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.283 10.642 2.038 1.00 0.00 H new ATOM 1409 N GLU A 99 -13.052 10.289 1.656 1.00 0.00 N ATOM 1410 CA GLU A 99 -14.282 10.286 0.874 1.00 0.00 C ATOM 1411 C GLU A 99 -14.349 11.505 -0.041 1.00 0.00 C ATOM 1412 O GLU A 99 -15.420 12.067 -0.267 1.00 0.00 O ATOM 1413 CB GLU A 99 -15.501 10.262 1.799 1.00 0.00 C ATOM 1414 CG GLU A 99 -15.594 11.472 2.714 1.00 0.00 C ATOM 1415 CD GLU A 99 -16.373 12.615 2.092 1.00 0.00 C ATOM 1416 OE1 GLU A 99 -17.599 12.468 1.910 1.00 0.00 O ATOM 1417 OE2 GLU A 99 -15.755 13.657 1.789 1.00 0.00 O ATOM 0 H GLU A 99 -13.089 10.863 2.499 1.00 0.00 H new ATOM 0 HA GLU A 99 -14.286 9.388 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -16.405 10.205 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.467 9.358 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.070 11.179 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.589 11.814 2.961 1.00 0.00 H new ATOM 1424 N GLN A 100 -13.195 11.909 -0.564 1.00 0.00 N ATOM 1425 CA GLN A 100 -13.122 13.062 -1.453 1.00 0.00 C ATOM 1426 C GLN A 100 -14.036 12.878 -2.660 1.00 0.00 C ATOM 1427 O GLN A 100 -13.759 12.068 -3.544 1.00 0.00 O ATOM 1428 CB GLN A 100 -11.681 13.282 -1.919 1.00 0.00 C ATOM 1429 CG GLN A 100 -11.377 14.724 -2.295 1.00 0.00 C ATOM 1430 CD GLN A 100 -11.878 15.084 -3.679 1.00 0.00 C ATOM 1431 OE1 GLN A 100 -13.089 15.625 -3.749 1.00 0.00 O flip ATOM 1432 NE2 GLN A 100 -11.185 14.879 -4.676 1.00 0.00 N flip ATOM 0 H GLN A 100 -12.299 11.455 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.456 13.939 -0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.000 12.970 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.484 12.642 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.833 15.390 -1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.300 14.888 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.260 14.461 -4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.536 15.127 -5.601 1.00 0.00 H new ATOM 1441 N SER A 101 -15.128 13.636 -2.689 1.00 0.00 N ATOM 1442 CA SER A 101 -16.086 13.553 -3.785 1.00 0.00 C ATOM 1443 C SER A 101 -16.205 12.121 -4.297 1.00 0.00 C ATOM 1444 O SER A 101 -16.254 11.883 -5.503 1.00 0.00 O ATOM 1445 CB SER A 101 -15.669 14.482 -4.927 1.00 0.00 C ATOM 1446 OG SER A 101 -14.519 13.987 -5.592 1.00 0.00 O ATOM 0 H SER A 101 -15.371 14.314 -1.967 1.00 0.00 H new ATOM 0 HA SER A 101 -17.059 13.867 -3.408 1.00 0.00 H new ATOM 0 HB2 SER A 101 -16.490 14.581 -5.638 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.465 15.478 -4.534 1.00 0.00 H new ATOM 0 HG SER A 101 -13.728 14.480 -5.288 1.00 0.00 H new ATOM 1452 N GLY A 102 -16.250 11.170 -3.369 1.00 0.00 N ATOM 1453 CA GLY A 102 -16.362 9.772 -3.744 1.00 0.00 C ATOM 1454 C GLY A 102 -17.772 9.392 -4.150 1.00 0.00 C ATOM 1455 O GLY A 102 -18.151 9.482 -5.318 1.00 0.00 O ATOM 0 H GLY A 102 -16.211 11.342 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.681 9.565 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.048 9.148 -2.907 1.00 0.00 H new ATOM 1459 N PRO A 103 -18.577 8.954 -3.170 1.00 0.00 N ATOM 1460 CA PRO A 103 -19.965 8.549 -3.407 1.00 0.00 C ATOM 1461 C PRO A 103 -20.864 9.732 -3.750 1.00 0.00 C ATOM 1462 O PRO A 103 -20.507 10.885 -3.509 1.00 0.00 O ATOM 1463 CB PRO A 103 -20.386 7.926 -2.074 1.00 0.00 C ATOM 1464 CG PRO A 103 -19.502 8.568 -1.061 1.00 0.00 C ATOM 1465 CD PRO A 103 -18.193 8.822 -1.755 1.00 0.00 C ATOM 0 HA PRO A 103 -20.052 7.871 -4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -21.437 8.119 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -20.256 6.844 -2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -19.938 9.498 -0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.365 7.920 -0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -17.710 9.726 -1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.492 8.001 -1.604 1.00 0.00 H new ATOM 1473 N SER A 104 -22.032 9.439 -4.312 1.00 0.00 N ATOM 1474 CA SER A 104 -22.981 10.480 -4.691 1.00 0.00 C ATOM 1475 C SER A 104 -24.270 10.360 -3.883 1.00 0.00 C ATOM 1476 O SER A 104 -25.368 10.494 -4.423 1.00 0.00 O ATOM 1477 CB SER A 104 -23.293 10.396 -6.186 1.00 0.00 C ATOM 1478 OG SER A 104 -23.691 9.086 -6.551 1.00 0.00 O ATOM 0 H SER A 104 -22.344 8.489 -4.515 1.00 0.00 H new ATOM 0 HA SER A 104 -22.527 11.447 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 104 -24.084 11.103 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 104 -22.414 10.686 -6.761 1.00 0.00 H new ATOM 0 HG SER A 104 -23.886 9.059 -7.511 1.00 0.00 H new ATOM 1484 N SER A 105 -24.127 10.105 -2.586 1.00 0.00 N ATOM 1485 CA SER A 105 -25.279 9.962 -1.704 1.00 0.00 C ATOM 1486 C SER A 105 -25.418 11.178 -0.792 1.00 0.00 C ATOM 1487 O SER A 105 -24.445 11.635 -0.195 1.00 0.00 O ATOM 1488 CB SER A 105 -25.149 8.691 -0.862 1.00 0.00 C ATOM 1489 OG SER A 105 -23.970 8.718 -0.077 1.00 0.00 O ATOM 0 H SER A 105 -23.225 9.993 -2.123 1.00 0.00 H new ATOM 0 HA SER A 105 -26.173 9.889 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 105 -26.019 8.590 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 105 -25.135 7.818 -1.515 1.00 0.00 H new ATOM 0 HG SER A 105 -23.911 7.896 0.453 1.00 0.00 H new ATOM 1495 N GLY A 106 -26.638 11.696 -0.690 1.00 0.00 N ATOM 1496 CA GLY A 106 -26.884 12.854 0.150 1.00 0.00 C ATOM 1497 C GLY A 106 -27.091 14.121 -0.655 1.00 0.00 C ATOM 1498 O GLY A 106 -28.067 14.843 -0.449 1.00 0.00 O ATOM 0 H GLY A 106 -27.460 11.335 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -27.764 12.671 0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -26.042 12.992 0.829 1.00 0.00 H new TER 1502 GLY A 106