USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 484 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 Single : A 1 GLY N :NH3+ -100:sc= 0.043 (180deg=0) USER MOD Single : A 2 SER OG : rot 58:sc= 0.0177 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=-0.0025) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -1.53! C(o=-2.8!,f=-1.5!) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 25 THR OG1 : rot -29:sc= 0.214 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -62:sc= 0.0833 USER MOD Single : A 32 SER OG : rot 180:sc= -1.19 USER MOD Single : A 35 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 81:sc= -0.133 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 80:sc= -0.42 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.208 F(o=-1.2,f=-0.21) USER MOD Single : A 67 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.43) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 35:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.685 -2.729 22.276 1.00 0.00 N ATOM 2 CA GLY A 1 -30.653 -2.204 21.397 1.00 0.00 C ATOM 3 C GLY A 1 -29.280 -2.260 22.068 1.00 0.00 C ATOM 4 O GLY A 1 -29.181 -2.197 23.293 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.908 -3.708 22.004 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.346 -2.711 23.259 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.541 -2.144 22.195 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.633 -2.778 20.471 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.889 -1.174 21.128 1.00 0.00 H new ATOM 8 N SER A 2 -28.255 -2.377 21.237 1.00 0.00 N ATOM 9 CA SER A 2 -26.891 -2.442 21.735 1.00 0.00 C ATOM 10 C SER A 2 -25.906 -2.434 20.565 1.00 0.00 C ATOM 11 O SER A 2 -26.259 -2.811 19.449 1.00 0.00 O ATOM 12 CB SER A 2 -26.679 -3.686 22.599 1.00 0.00 C ATOM 13 OG SER A 2 -26.434 -3.354 23.963 1.00 0.00 O ATOM 0 H SER A 2 -28.341 -2.429 20.222 1.00 0.00 H new ATOM 0 HA SER A 2 -26.712 -1.566 22.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.559 -4.326 22.534 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.838 -4.259 22.209 1.00 0.00 H new ATOM 0 HG SER A 2 -27.189 -2.837 24.314 1.00 0.00 H new ATOM 19 N SER A 3 -24.689 -2.001 20.860 1.00 0.00 N ATOM 20 CA SER A 3 -23.650 -1.939 19.846 1.00 0.00 C ATOM 21 C SER A 3 -22.291 -1.692 20.504 1.00 0.00 C ATOM 22 O SER A 3 -22.218 -1.402 21.698 1.00 0.00 O ATOM 23 CB SER A 3 -23.948 -0.846 18.818 1.00 0.00 C ATOM 24 OG SER A 3 -23.660 0.455 19.323 1.00 0.00 O ATOM 0 H SER A 3 -24.399 -1.690 21.787 1.00 0.00 H new ATOM 0 HA SER A 3 -23.625 -2.895 19.323 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.359 -1.024 17.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.997 -0.898 18.527 1.00 0.00 H new ATOM 0 HG SER A 3 -23.862 1.124 18.636 1.00 0.00 H new ATOM 30 N GLY A 4 -21.247 -1.816 19.697 1.00 0.00 N ATOM 31 CA GLY A 4 -19.895 -1.611 20.186 1.00 0.00 C ATOM 32 C GLY A 4 -18.942 -1.271 19.038 1.00 0.00 C ATOM 33 O GLY A 4 -19.352 -1.228 17.879 1.00 0.00 O ATOM 0 H GLY A 4 -21.311 -2.056 18.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.888 -0.805 20.920 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.549 -2.510 20.697 1.00 0.00 H new ATOM 37 N SER A 5 -17.689 -1.038 19.400 1.00 0.00 N ATOM 38 CA SER A 5 -16.675 -0.704 18.414 1.00 0.00 C ATOM 39 C SER A 5 -15.294 -1.119 18.923 1.00 0.00 C ATOM 40 O SER A 5 -15.127 -1.416 20.105 1.00 0.00 O ATOM 41 CB SER A 5 -16.694 0.792 18.091 1.00 0.00 C ATOM 42 OG SER A 5 -16.072 1.567 19.112 1.00 0.00 O ATOM 0 H SER A 5 -17.353 -1.074 20.362 1.00 0.00 H new ATOM 0 HA SER A 5 -16.896 -1.250 17.497 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.184 0.965 17.143 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.725 1.122 17.963 1.00 0.00 H new ATOM 0 HG SER A 5 -16.103 2.516 18.868 1.00 0.00 H new ATOM 48 N SER A 6 -14.338 -1.128 18.006 1.00 0.00 N ATOM 49 CA SER A 6 -12.976 -1.503 18.346 1.00 0.00 C ATOM 50 C SER A 6 -11.990 -0.796 17.414 1.00 0.00 C ATOM 51 O SER A 6 -12.267 -0.624 16.228 1.00 0.00 O ATOM 52 CB SER A 6 -12.786 -3.019 18.270 1.00 0.00 C ATOM 53 OG SER A 6 -12.600 -3.466 16.929 1.00 0.00 O ATOM 0 H SER A 6 -14.480 -0.881 17.027 1.00 0.00 H new ATOM 0 HA SER A 6 -12.782 -1.192 19.372 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.924 -3.307 18.871 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.655 -3.516 18.701 1.00 0.00 H new ATOM 0 HG SER A 6 -12.480 -4.439 16.922 1.00 0.00 H new ATOM 59 N GLY A 7 -10.861 -0.406 17.986 1.00 0.00 N ATOM 60 CA GLY A 7 -9.832 0.278 17.220 1.00 0.00 C ATOM 61 C GLY A 7 -8.459 -0.353 17.460 1.00 0.00 C ATOM 62 O GLY A 7 -7.842 -0.130 18.501 1.00 0.00 O ATOM 0 H GLY A 7 -10.636 -0.550 18.970 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.075 0.235 16.158 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.806 1.331 17.499 1.00 0.00 H new ATOM 66 N LEU A 8 -8.021 -1.129 16.480 1.00 0.00 N ATOM 67 CA LEU A 8 -6.732 -1.794 16.571 1.00 0.00 C ATOM 68 C LEU A 8 -5.649 -0.878 15.999 1.00 0.00 C ATOM 69 O LEU A 8 -5.843 0.332 15.901 1.00 0.00 O ATOM 70 CB LEU A 8 -6.791 -3.170 15.903 1.00 0.00 C ATOM 71 CG LEU A 8 -6.651 -3.181 14.379 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.992 -4.476 13.899 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.001 -2.940 13.702 1.00 0.00 C ATOM 0 H LEU A 8 -8.536 -1.312 15.619 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.473 -1.982 17.613 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.001 -3.791 16.325 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.740 -3.639 16.165 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.996 -2.359 14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.904 -4.459 12.813 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.000 -4.565 14.342 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.602 -5.328 14.200 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.873 -2.953 12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.700 -3.724 13.994 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.394 -1.971 14.009 1.00 0.00 H new ATOM 85 N LEU A 9 -4.531 -1.491 15.637 1.00 0.00 N ATOM 86 CA LEU A 9 -3.416 -0.746 15.078 1.00 0.00 C ATOM 87 C LEU A 9 -2.974 0.327 16.075 1.00 0.00 C ATOM 88 O LEU A 9 -3.685 1.307 16.294 1.00 0.00 O ATOM 89 CB LEU A 9 -3.781 -0.192 13.699 1.00 0.00 C ATOM 90 CG LEU A 9 -2.702 -0.312 12.621 1.00 0.00 C ATOM 91 CD1 LEU A 9 -1.427 0.424 13.036 1.00 0.00 C ATOM 92 CD2 LEU A 9 -2.431 -1.779 12.278 1.00 0.00 C ATOM 0 H LEU A 9 -4.374 -2.495 15.720 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.561 -1.402 14.917 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.676 -0.706 13.348 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.041 0.861 13.809 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.070 0.169 11.715 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.677 0.323 12.252 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.650 1.480 13.190 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.044 -0.005 13.962 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.660 -1.837 11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.093 -2.305 13.171 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.346 -2.242 11.909 1.00 0.00 H new ATOM 104 N SER A 10 -1.803 0.105 16.652 1.00 0.00 N ATOM 105 CA SER A 10 -1.257 1.041 17.621 1.00 0.00 C ATOM 106 C SER A 10 0.268 0.922 17.662 1.00 0.00 C ATOM 107 O SER A 10 0.809 -0.181 17.615 1.00 0.00 O ATOM 108 CB SER A 10 -1.846 0.799 19.012 1.00 0.00 C ATOM 109 OG SER A 10 -1.512 -0.491 19.517 1.00 0.00 O ATOM 0 H SER A 10 -1.217 -0.709 16.468 1.00 0.00 H new ATOM 0 HA SER A 10 -1.528 2.051 17.312 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.480 1.563 19.698 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.930 0.902 18.969 1.00 0.00 H new ATOM 0 HG SER A 10 -1.905 -0.606 20.407 1.00 0.00 H new ATOM 115 N HIS A 11 0.917 2.074 17.750 1.00 0.00 N ATOM 116 CA HIS A 11 2.369 2.113 17.798 1.00 0.00 C ATOM 117 C HIS A 11 2.938 1.697 16.440 1.00 0.00 C ATOM 118 O HIS A 11 2.214 1.181 15.591 1.00 0.00 O ATOM 119 CB HIS A 11 2.897 1.257 18.950 1.00 0.00 C ATOM 120 CG HIS A 11 4.176 1.775 19.565 1.00 0.00 C ATOM 121 ND1 HIS A 11 5.326 1.011 19.659 1.00 0.00 N ATOM 122 CD2 HIS A 11 4.473 2.988 20.113 1.00 0.00 C ATOM 123 CE1 HIS A 11 6.266 1.741 20.240 1.00 0.00 C ATOM 124 NE2 HIS A 11 5.736 2.966 20.522 1.00 0.00 N ATOM 0 H HIS A 11 0.464 2.987 17.789 1.00 0.00 H new ATOM 0 HA HIS A 11 2.703 3.131 17.996 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.132 1.197 19.724 1.00 0.00 H new ATOM 0 HB3 HIS A 11 3.065 0.243 18.588 1.00 0.00 H new ATOM 0 HD2 HIS A 11 3.796 3.825 20.200 1.00 0.00 H new ATOM 0 HE1 HIS A 11 7.276 1.422 20.453 1.00 0.00 H new ATOM 0 HE2 HIS A 11 6.228 3.737 20.972 1.00 0.00 H new ATOM 132 N MET A 12 4.231 1.937 16.278 1.00 0.00 N ATOM 133 CA MET A 12 4.906 1.594 15.038 1.00 0.00 C ATOM 134 C MET A 12 6.419 1.502 15.246 1.00 0.00 C ATOM 135 O MET A 12 7.024 2.393 15.839 1.00 0.00 O ATOM 136 CB MET A 12 4.600 2.655 13.980 1.00 0.00 C ATOM 137 CG MET A 12 4.910 4.059 14.504 1.00 0.00 C ATOM 138 SD MET A 12 3.392 4.945 14.811 1.00 0.00 S ATOM 139 CE MET A 12 3.859 5.864 16.268 1.00 0.00 C ATOM 0 H MET A 12 4.829 2.365 16.985 1.00 0.00 H new ATOM 0 HA MET A 12 4.543 0.621 14.705 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.188 2.460 13.083 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.550 2.594 13.692 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.494 3.993 15.422 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.517 4.601 13.779 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.019 6.476 16.597 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.136 5.171 17.062 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.708 6.507 16.036 1.00 0.00 H new ATOM 149 N ASP A 13 6.988 0.415 14.745 1.00 0.00 N ATOM 150 CA ASP A 13 8.419 0.194 14.868 1.00 0.00 C ATOM 151 C ASP A 13 8.784 -1.135 14.203 1.00 0.00 C ATOM 152 O ASP A 13 7.914 -1.967 13.950 1.00 0.00 O ATOM 153 CB ASP A 13 8.841 0.120 16.336 1.00 0.00 C ATOM 154 CG ASP A 13 8.173 -0.994 17.146 1.00 0.00 C ATOM 155 OD1 ASP A 13 7.437 -1.786 16.520 1.00 0.00 O ATOM 156 OD2 ASP A 13 8.415 -1.027 18.371 1.00 0.00 O ATOM 0 H ASP A 13 6.484 -0.322 14.253 1.00 0.00 H new ATOM 0 HA ASP A 13 8.932 1.027 14.388 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.921 -0.016 16.381 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.620 1.076 16.811 1.00 0.00 H new ATOM 161 N ASP A 14 10.073 -1.293 13.939 1.00 0.00 N ATOM 162 CA ASP A 14 10.564 -2.507 13.309 1.00 0.00 C ATOM 163 C ASP A 14 11.079 -3.463 14.387 1.00 0.00 C ATOM 164 O ASP A 14 11.827 -3.058 15.276 1.00 0.00 O ATOM 165 CB ASP A 14 11.721 -2.203 12.356 1.00 0.00 C ATOM 166 CG ASP A 14 11.532 -0.958 11.486 1.00 0.00 C ATOM 167 OD1 ASP A 14 10.657 -1.015 10.595 1.00 0.00 O ATOM 168 OD2 ASP A 14 12.267 0.023 11.732 1.00 0.00 O ATOM 0 H ASP A 14 10.792 -0.601 14.150 1.00 0.00 H new ATOM 0 HA ASP A 14 9.742 -2.953 12.749 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.633 -2.084 12.942 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.871 -3.064 11.704 1.00 0.00 H new ATOM 173 N PRO A 15 10.647 -4.747 14.270 1.00 0.00 N ATOM 174 CA PRO A 15 11.056 -5.765 15.223 1.00 0.00 C ATOM 175 C PRO A 15 12.504 -6.194 14.980 1.00 0.00 C ATOM 176 O PRO A 15 13.110 -6.854 15.822 1.00 0.00 O ATOM 177 CB PRO A 15 10.062 -6.899 15.038 1.00 0.00 C ATOM 178 CG PRO A 15 9.421 -6.675 13.678 1.00 0.00 C ATOM 179 CD PRO A 15 9.761 -5.263 13.230 1.00 0.00 C ATOM 0 HA PRO A 15 11.044 -5.406 16.252 1.00 0.00 H new ATOM 0 HB2 PRO A 15 10.562 -7.867 15.079 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.312 -6.894 15.829 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.791 -7.404 12.957 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.341 -6.807 13.739 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.251 -5.264 12.257 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.864 -4.651 13.135 1.00 0.00 H new ATOM 187 N ASP A 16 13.018 -5.800 13.823 1.00 0.00 N ATOM 188 CA ASP A 16 14.384 -6.135 13.459 1.00 0.00 C ATOM 189 C ASP A 16 14.617 -5.778 11.989 1.00 0.00 C ATOM 190 O ASP A 16 14.081 -6.431 11.095 1.00 0.00 O ATOM 191 CB ASP A 16 14.648 -7.633 13.629 1.00 0.00 C ATOM 192 CG ASP A 16 15.887 -7.982 14.456 1.00 0.00 C ATOM 193 OD1 ASP A 16 16.033 -7.378 15.540 1.00 0.00 O ATOM 194 OD2 ASP A 16 16.659 -8.844 13.985 1.00 0.00 O ATOM 0 H ASP A 16 12.513 -5.252 13.126 1.00 0.00 H new ATOM 0 HA ASP A 16 15.054 -5.574 14.111 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.776 -8.089 14.098 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.750 -8.083 12.641 1.00 0.00 H new ATOM 199 N ILE A 17 15.418 -4.742 11.785 1.00 0.00 N ATOM 200 CA ILE A 17 15.729 -4.290 10.440 1.00 0.00 C ATOM 201 C ILE A 17 16.984 -5.009 9.942 1.00 0.00 C ATOM 202 O ILE A 17 17.984 -4.369 9.620 1.00 0.00 O ATOM 203 CB ILE A 17 15.836 -2.765 10.399 1.00 0.00 C ATOM 204 CG1 ILE A 17 14.476 -2.112 10.652 1.00 0.00 C ATOM 205 CG2 ILE A 17 16.461 -2.295 9.084 1.00 0.00 C ATOM 206 CD1 ILE A 17 13.565 -2.252 9.431 1.00 0.00 C ATOM 0 H ILE A 17 15.861 -4.203 12.529 1.00 0.00 H new ATOM 0 HA ILE A 17 14.921 -4.548 9.755 1.00 0.00 H new ATOM 0 HB ILE A 17 16.500 -2.448 11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.002 -2.574 11.518 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.614 -1.057 10.889 1.00 0.00 H new ATOM 0 HG21 ILE A 17 16.526 -1.207 9.080 1.00 0.00 H new ATOM 0 HG22 ILE A 17 17.461 -2.718 8.984 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.843 -2.624 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.605 -1.779 9.637 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.030 -1.768 8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.410 -3.308 9.212 1.00 0.00 H new ATOM 218 N ASP A 18 16.892 -6.330 9.896 1.00 0.00 N ATOM 219 CA ASP A 18 18.008 -7.143 9.443 1.00 0.00 C ATOM 220 C ASP A 18 17.636 -8.622 9.556 1.00 0.00 C ATOM 221 O ASP A 18 17.788 -9.225 10.617 1.00 0.00 O ATOM 222 CB ASP A 18 19.250 -6.901 10.304 1.00 0.00 C ATOM 223 CG ASP A 18 20.504 -7.656 9.857 1.00 0.00 C ATOM 224 OD1 ASP A 18 20.867 -7.501 8.672 1.00 0.00 O ATOM 225 OD2 ASP A 18 21.069 -8.372 10.712 1.00 0.00 O ATOM 0 H ASP A 18 16.062 -6.858 10.165 1.00 0.00 H new ATOM 0 HA ASP A 18 18.226 -6.871 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.469 -5.833 10.307 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.022 -7.183 11.332 1.00 0.00 H new ATOM 230 N ALA A 19 17.154 -9.164 8.447 1.00 0.00 N ATOM 231 CA ALA A 19 16.758 -10.562 8.408 1.00 0.00 C ATOM 232 C ALA A 19 16.338 -10.929 6.984 1.00 0.00 C ATOM 233 O ALA A 19 15.923 -10.065 6.213 1.00 0.00 O ATOM 234 CB ALA A 19 15.642 -10.805 9.426 1.00 0.00 C ATOM 0 H ALA A 19 17.029 -8.661 7.569 1.00 0.00 H new ATOM 0 HA ALA A 19 17.594 -11.206 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.345 -11.853 9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.001 -10.557 10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.784 -10.178 9.182 1.00 0.00 H new ATOM 240 N PRO A 20 16.463 -12.246 6.669 1.00 0.00 N ATOM 241 CA PRO A 20 16.101 -12.738 5.350 1.00 0.00 C ATOM 242 C PRO A 20 14.581 -12.808 5.190 1.00 0.00 C ATOM 243 O PRO A 20 14.038 -13.855 4.839 1.00 0.00 O ATOM 244 CB PRO A 20 16.774 -14.096 5.239 1.00 0.00 C ATOM 245 CG PRO A 20 17.099 -14.519 6.663 1.00 0.00 C ATOM 246 CD PRO A 20 16.951 -13.298 7.556 1.00 0.00 C ATOM 0 HA PRO A 20 16.432 -12.078 4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 20 16.116 -14.819 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 20 17.678 -14.035 4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 20 16.427 -15.314 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 20 18.113 -14.915 6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 20 16.251 -13.486 8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 20 17.903 -13.023 8.011 1.00 0.00 H new ATOM 254 N ILE A 21 13.937 -11.681 5.454 1.00 0.00 N ATOM 255 CA ILE A 21 12.491 -11.602 5.343 1.00 0.00 C ATOM 256 C ILE A 21 11.853 -12.567 6.345 1.00 0.00 C ATOM 257 O ILE A 21 12.282 -13.713 6.466 1.00 0.00 O ATOM 258 CB ILE A 21 12.050 -11.836 3.897 1.00 0.00 C ATOM 259 CG1 ILE A 21 12.366 -10.620 3.024 1.00 0.00 C ATOM 260 CG2 ILE A 21 10.571 -12.221 3.830 1.00 0.00 C ATOM 261 CD1 ILE A 21 12.486 -11.018 1.551 1.00 0.00 C ATOM 0 H ILE A 21 14.390 -10.815 5.745 1.00 0.00 H new ATOM 0 HA ILE A 21 12.144 -10.601 5.599 1.00 0.00 H new ATOM 0 HB ILE A 21 12.619 -12.676 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.582 -9.872 3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 21 13.297 -10.161 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 21 10.284 -12.382 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 21 10.407 -13.137 4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.967 -11.419 4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 21 12.711 -10.135 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 21 13.287 -11.748 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.546 -11.455 1.214 1.00 0.00 H new ATOM 273 N SER A 22 10.839 -12.068 7.036 1.00 0.00 N ATOM 274 CA SER A 22 10.138 -12.872 8.022 1.00 0.00 C ATOM 275 C SER A 22 9.098 -13.757 7.333 1.00 0.00 C ATOM 276 O SER A 22 8.651 -13.451 6.229 1.00 0.00 O ATOM 277 CB SER A 22 9.468 -11.989 9.077 1.00 0.00 C ATOM 278 OG SER A 22 9.051 -12.739 10.215 1.00 0.00 O ATOM 0 H SER A 22 10.486 -11.117 6.932 1.00 0.00 H new ATOM 0 HA SER A 22 10.867 -13.506 8.527 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.162 -11.210 9.391 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.605 -11.489 8.636 1.00 0.00 H new ATOM 0 HG SER A 22 8.630 -12.139 10.866 1.00 0.00 H new ATOM 284 N HIS A 23 8.744 -14.838 8.012 1.00 0.00 N ATOM 285 CA HIS A 23 7.765 -15.770 7.479 1.00 0.00 C ATOM 286 C HIS A 23 6.357 -15.315 7.869 1.00 0.00 C ATOM 287 O HIS A 23 5.688 -15.970 8.666 1.00 0.00 O ATOM 288 CB HIS A 23 8.073 -17.199 7.931 1.00 0.00 C ATOM 289 CG HIS A 23 7.715 -17.478 9.371 1.00 0.00 C ATOM 290 ND1 HIS A 23 7.522 -16.630 10.422 1.00 0.00 N flip ATOM 291 CD2 HIS A 23 7.518 -18.758 9.860 1.00 0.00 C flip ATOM 292 CE1 HIS A 23 7.221 -17.353 11.494 1.00 0.00 C flip ATOM 293 NE2 HIS A 23 7.219 -18.672 11.148 1.00 0.00 N flip ATOM 0 H HIS A 23 9.118 -15.089 8.927 1.00 0.00 H new ATOM 0 HA HIS A 23 7.818 -15.776 6.390 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.532 -17.896 7.291 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.136 -17.394 7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.595 -19.671 9.289 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.012 -16.961 12.478 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.022 -19.455 11.771 1.00 0.00 H new ATOM 301 N GLN A 24 5.950 -14.196 7.288 1.00 0.00 N ATOM 302 CA GLN A 24 4.634 -13.645 7.565 1.00 0.00 C ATOM 303 C GLN A 24 4.491 -12.263 6.925 1.00 0.00 C ATOM 304 O GLN A 24 4.518 -11.248 7.619 1.00 0.00 O ATOM 305 CB GLN A 24 4.372 -13.582 9.071 1.00 0.00 C ATOM 306 CG GLN A 24 3.117 -14.374 9.444 1.00 0.00 C ATOM 307 CD GLN A 24 2.844 -14.294 10.947 1.00 0.00 C ATOM 308 OE1 GLN A 24 3.347 -13.432 11.650 1.00 0.00 O ATOM 309 NE2 GLN A 24 2.023 -15.237 11.399 1.00 0.00 N ATOM 0 H GLN A 24 6.508 -13.656 6.627 1.00 0.00 H new ATOM 0 HA GLN A 24 3.886 -14.305 7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.231 -13.981 9.610 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.256 -12.543 9.380 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.260 -13.985 8.894 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.239 -15.416 9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.637 -15.928 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.779 -15.269 12.389 1.00 0.00 H new ATOM 318 N THR A 25 4.343 -12.269 5.608 1.00 0.00 N ATOM 319 CA THR A 25 4.196 -11.028 4.866 1.00 0.00 C ATOM 320 C THR A 25 3.483 -11.283 3.537 1.00 0.00 C ATOM 321 O THR A 25 3.610 -12.360 2.956 1.00 0.00 O ATOM 322 CB THR A 25 5.585 -10.408 4.702 1.00 0.00 C ATOM 323 OG1 THR A 25 6.052 -10.244 6.038 1.00 0.00 O ATOM 324 CG2 THR A 25 5.528 -8.983 4.150 1.00 0.00 C ATOM 0 H THR A 25 4.322 -13.113 5.036 1.00 0.00 H new ATOM 0 HA THR A 25 3.569 -10.317 5.404 1.00 0.00 H new ATOM 0 HB THR A 25 6.184 -11.031 4.038 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.288 -10.116 6.638 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.540 -8.590 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.046 -8.991 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.957 -8.352 4.831 1.00 0.00 H new ATOM 332 N SER A 26 2.748 -10.274 3.093 1.00 0.00 N ATOM 333 CA SER A 26 2.015 -10.375 1.843 1.00 0.00 C ATOM 334 C SER A 26 2.761 -9.626 0.737 1.00 0.00 C ATOM 335 O SER A 26 3.761 -8.960 0.999 1.00 0.00 O ATOM 336 CB SER A 26 0.594 -9.826 1.991 1.00 0.00 C ATOM 337 OG SER A 26 -0.085 -10.397 3.106 1.00 0.00 O ATOM 0 H SER A 26 2.645 -9.382 3.577 1.00 0.00 H new ATOM 0 HA SER A 26 1.942 -11.429 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.634 -8.743 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.030 -10.029 1.080 1.00 0.00 H new ATOM 0 HG SER A 26 -0.987 -10.020 3.168 1.00 0.00 H new ATOM 343 N ASP A 27 2.245 -9.760 -0.476 1.00 0.00 N ATOM 344 CA ASP A 27 2.850 -9.104 -1.623 1.00 0.00 C ATOM 345 C ASP A 27 2.330 -7.668 -1.717 1.00 0.00 C ATOM 346 O ASP A 27 2.936 -6.826 -2.378 1.00 0.00 O ATOM 347 CB ASP A 27 2.487 -9.823 -2.924 1.00 0.00 C ATOM 348 CG ASP A 27 3.439 -10.951 -3.326 1.00 0.00 C ATOM 349 OD1 ASP A 27 4.654 -10.779 -3.090 1.00 0.00 O ATOM 350 OD2 ASP A 27 2.930 -11.960 -3.861 1.00 0.00 O ATOM 0 H ASP A 27 1.415 -10.313 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 27 3.932 -9.123 -1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.482 -10.233 -2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.455 -9.090 -3.730 1.00 0.00 H new ATOM 355 N ILE A 28 1.213 -7.432 -1.045 1.00 0.00 N ATOM 356 CA ILE A 28 0.605 -6.112 -1.044 1.00 0.00 C ATOM 357 C ILE A 28 1.500 -5.144 -0.269 1.00 0.00 C ATOM 358 O ILE A 28 1.562 -5.197 0.959 1.00 0.00 O ATOM 359 CB ILE A 28 -0.829 -6.183 -0.513 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.698 -7.077 -1.400 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.423 -4.783 -0.352 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.787 -7.771 -0.579 1.00 0.00 C ATOM 0 H ILE A 28 0.713 -8.132 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 28 0.525 -5.728 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.805 -6.638 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.157 -6.479 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.075 -7.825 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.442 -4.861 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.818 -4.210 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.433 -4.279 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.390 -8.400 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.324 -8.387 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.423 -7.020 -0.110 1.00 0.00 H new ATOM 374 N ASP A 29 2.172 -4.282 -1.017 1.00 0.00 N ATOM 375 CA ASP A 29 3.062 -3.302 -0.416 1.00 0.00 C ATOM 376 C ASP A 29 2.237 -2.301 0.396 1.00 0.00 C ATOM 377 O ASP A 29 1.315 -1.680 -0.131 1.00 0.00 O ATOM 378 CB ASP A 29 3.829 -2.525 -1.486 1.00 0.00 C ATOM 379 CG ASP A 29 4.471 -3.386 -2.576 1.00 0.00 C ATOM 380 OD1 ASP A 29 3.700 -4.065 -3.290 1.00 0.00 O ATOM 381 OD2 ASP A 29 5.716 -3.346 -2.671 1.00 0.00 O ATOM 0 H ASP A 29 2.118 -4.241 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 29 3.770 -3.834 0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.148 -1.817 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.610 -1.940 -0.999 1.00 0.00 H new ATOM 386 N GLN A 30 2.598 -2.176 1.664 1.00 0.00 N ATOM 387 CA GLN A 30 1.903 -1.261 2.553 1.00 0.00 C ATOM 388 C GLN A 30 1.898 0.151 1.964 1.00 0.00 C ATOM 389 O GLN A 30 0.907 0.871 2.077 1.00 0.00 O ATOM 390 CB GLN A 30 2.530 -1.270 3.949 1.00 0.00 C ATOM 391 CG GLN A 30 1.741 -0.379 4.910 1.00 0.00 C ATOM 392 CD GLN A 30 0.592 -1.154 5.558 1.00 0.00 C ATOM 393 OE1 GLN A 30 0.778 -1.949 6.464 1.00 0.00 O ATOM 394 NE2 GLN A 30 -0.604 -0.878 5.045 1.00 0.00 N ATOM 0 H GLN A 30 3.363 -2.693 2.097 1.00 0.00 H new ATOM 0 HA GLN A 30 0.871 -1.596 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.557 -2.290 4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.562 -0.924 3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.406 0.006 5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.345 0.482 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.690 -0.201 4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.435 -1.343 5.410 1.00 0.00 H new ATOM 403 N SER A 31 3.016 0.504 1.348 1.00 0.00 N ATOM 404 CA SER A 31 3.153 1.817 0.740 1.00 0.00 C ATOM 405 C SER A 31 2.105 1.997 -0.360 1.00 0.00 C ATOM 406 O SER A 31 1.589 3.095 -0.557 1.00 0.00 O ATOM 407 CB SER A 31 4.560 2.017 0.171 1.00 0.00 C ATOM 408 OG SER A 31 5.421 0.925 0.482 1.00 0.00 O ATOM 0 H SER A 31 3.836 -0.096 1.257 1.00 0.00 H new ATOM 0 HA SER A 31 2.992 2.569 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.500 2.135 -0.911 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.985 2.939 0.569 1.00 0.00 H new ATOM 0 HG SER A 31 5.521 0.854 1.454 1.00 0.00 H new ATOM 414 N SER A 32 1.822 0.900 -1.048 1.00 0.00 N ATOM 415 CA SER A 32 0.845 0.923 -2.123 1.00 0.00 C ATOM 416 C SER A 32 -0.544 1.236 -1.562 1.00 0.00 C ATOM 417 O SER A 32 -1.232 2.126 -2.059 1.00 0.00 O ATOM 418 CB SER A 32 0.825 -0.408 -2.877 1.00 0.00 C ATOM 419 OG SER A 32 2.073 -0.684 -3.507 1.00 0.00 O ATOM 0 H SER A 32 2.252 -0.010 -0.882 1.00 0.00 H new ATOM 0 HA SER A 32 1.130 1.705 -2.827 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.583 -1.214 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.036 -0.387 -3.629 1.00 0.00 H new ATOM 0 HG SER A 32 2.020 -1.543 -3.976 1.00 0.00 H new ATOM 425 N VAL A 33 -0.914 0.486 -0.534 1.00 0.00 N ATOM 426 CA VAL A 33 -2.208 0.673 0.101 1.00 0.00 C ATOM 427 C VAL A 33 -2.402 2.155 0.427 1.00 0.00 C ATOM 428 O VAL A 33 -3.512 2.676 0.327 1.00 0.00 O ATOM 429 CB VAL A 33 -2.323 -0.231 1.330 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.601 0.072 2.115 1.00 0.00 C ATOM 431 CG2 VAL A 33 -2.259 -1.707 0.934 1.00 0.00 C ATOM 0 H VAL A 33 -0.341 -0.252 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.012 0.382 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.473 -0.023 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.659 -0.584 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.588 1.111 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.468 -0.094 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.343 -2.327 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.079 -1.937 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.309 -1.910 0.439 1.00 0.00 H new ATOM 441 N ASP A 34 -1.306 2.792 0.811 1.00 0.00 N ATOM 442 CA ASP A 34 -1.342 4.204 1.153 1.00 0.00 C ATOM 443 C ASP A 34 -1.425 5.033 -0.130 1.00 0.00 C ATOM 444 O ASP A 34 -2.024 6.107 -0.141 1.00 0.00 O ATOM 445 CB ASP A 34 -0.076 4.621 1.904 1.00 0.00 C ATOM 446 CG ASP A 34 -0.085 6.054 2.441 1.00 0.00 C ATOM 447 OD1 ASP A 34 -1.104 6.419 3.066 1.00 0.00 O ATOM 448 OD2 ASP A 34 0.927 6.751 2.214 1.00 0.00 O ATOM 0 H ASP A 34 -0.387 2.357 0.893 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.211 4.375 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.075 3.937 2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.779 4.504 1.238 1.00 0.00 H new ATOM 453 N THR A 35 -0.816 4.502 -1.180 1.00 0.00 N ATOM 454 CA THR A 35 -0.814 5.180 -2.466 1.00 0.00 C ATOM 455 C THR A 35 -2.241 5.312 -3.001 1.00 0.00 C ATOM 456 O THR A 35 -2.532 6.212 -3.787 1.00 0.00 O ATOM 457 CB THR A 35 0.119 4.411 -3.404 1.00 0.00 C ATOM 458 OG1 THR A 35 1.393 4.495 -2.771 1.00 0.00 O ATOM 459 CG2 THR A 35 0.320 5.124 -4.743 1.00 0.00 C ATOM 0 H THR A 35 -0.321 3.610 -1.167 1.00 0.00 H new ATOM 0 HA THR A 35 -0.439 6.200 -2.376 1.00 0.00 H new ATOM 0 HB THR A 35 -0.284 3.414 -3.581 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.450 3.822 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.990 4.537 -5.371 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.642 5.236 -5.244 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.755 6.108 -4.569 1.00 0.00 H new ATOM 467 N LEU A 36 -3.092 4.400 -2.556 1.00 0.00 N ATOM 468 CA LEU A 36 -4.482 4.403 -2.980 1.00 0.00 C ATOM 469 C LEU A 36 -5.328 5.135 -1.937 1.00 0.00 C ATOM 470 O LEU A 36 -6.471 5.503 -2.207 1.00 0.00 O ATOM 471 CB LEU A 36 -4.957 2.977 -3.267 1.00 0.00 C ATOM 472 CG LEU A 36 -4.571 2.403 -4.632 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.426 0.881 -4.565 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.564 2.838 -5.711 1.00 0.00 C ATOM 0 H LEU A 36 -2.846 3.654 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.593 4.947 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.559 2.320 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.043 2.952 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.598 2.807 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.151 0.498 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.651 0.621 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.373 0.439 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.266 2.416 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.561 2.482 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.573 3.926 -5.780 1.00 0.00 H new ATOM 486 N LEU A 37 -4.735 5.326 -0.768 1.00 0.00 N ATOM 487 CA LEU A 37 -5.420 6.008 0.317 1.00 0.00 C ATOM 488 C LEU A 37 -5.670 7.464 -0.080 1.00 0.00 C ATOM 489 O LEU A 37 -6.734 8.014 0.202 1.00 0.00 O ATOM 490 CB LEU A 37 -4.641 5.851 1.624 1.00 0.00 C ATOM 491 CG LEU A 37 -4.915 4.573 2.419 1.00 0.00 C ATOM 492 CD1 LEU A 37 -3.872 4.379 3.522 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.341 4.566 2.972 1.00 0.00 C ATOM 0 H LEU A 37 -3.787 5.020 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.395 5.555 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.576 5.892 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.864 6.707 2.262 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.829 3.724 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.090 3.463 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.880 4.307 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.902 5.228 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.509 3.647 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.480 5.423 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.051 4.623 2.147 1.00 0.00 H new ATOM 505 N SER A 38 -4.672 8.048 -0.727 1.00 0.00 N ATOM 506 CA SER A 38 -4.771 9.430 -1.164 1.00 0.00 C ATOM 507 C SER A 38 -5.675 9.526 -2.395 1.00 0.00 C ATOM 508 O SER A 38 -6.533 10.404 -2.472 1.00 0.00 O ATOM 509 CB SER A 38 -3.389 10.009 -1.475 1.00 0.00 C ATOM 510 OG SER A 38 -2.964 10.939 -0.482 1.00 0.00 O ATOM 0 H SER A 38 -3.791 7.589 -0.959 1.00 0.00 H new ATOM 0 HA SER A 38 -5.207 10.015 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.664 9.198 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.413 10.502 -2.447 1.00 0.00 H new ATOM 0 HG SER A 38 -2.077 11.285 -0.716 1.00 0.00 H new ATOM 516 N PHE A 39 -5.452 8.611 -3.326 1.00 0.00 N ATOM 517 CA PHE A 39 -6.236 8.581 -4.549 1.00 0.00 C ATOM 518 C PHE A 39 -7.718 8.829 -4.257 1.00 0.00 C ATOM 519 O PHE A 39 -8.354 9.653 -4.912 1.00 0.00 O ATOM 520 CB PHE A 39 -6.075 7.184 -5.151 1.00 0.00 C ATOM 521 CG PHE A 39 -4.896 7.055 -6.117 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.661 7.487 -5.745 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.082 6.508 -7.348 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.567 7.368 -6.642 1.00 0.00 C ATOM 525 CE2 PHE A 39 -3.988 6.389 -8.245 1.00 0.00 C ATOM 526 CZ PHE A 39 -2.753 6.821 -7.873 1.00 0.00 C ATOM 0 H PHE A 39 -4.739 7.884 -3.258 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.891 9.359 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.950 6.463 -4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.992 6.918 -5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.513 7.921 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.062 6.164 -7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.587 7.712 -6.347 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.136 5.955 -9.223 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.921 6.730 -8.555 1.00 0.00 H new ATOM 536 N GLY A 40 -8.223 8.102 -3.272 1.00 0.00 N ATOM 537 CA GLY A 40 -9.618 8.232 -2.884 1.00 0.00 C ATOM 538 C GLY A 40 -10.266 6.859 -2.697 1.00 0.00 C ATOM 539 O GLY A 40 -11.284 6.559 -3.319 1.00 0.00 O ATOM 0 H GLY A 40 -7.692 7.420 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.690 8.801 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.160 8.793 -3.645 1.00 0.00 H new ATOM 543 N PHE A 41 -9.649 6.061 -1.838 1.00 0.00 N ATOM 544 CA PHE A 41 -10.154 4.727 -1.561 1.00 0.00 C ATOM 545 C PHE A 41 -9.875 4.325 -0.111 1.00 0.00 C ATOM 546 O PHE A 41 -8.983 4.879 0.530 1.00 0.00 O ATOM 547 CB PHE A 41 -9.414 3.767 -2.495 1.00 0.00 C ATOM 548 CG PHE A 41 -9.375 4.225 -3.954 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.535 4.403 -4.642 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.181 4.454 -4.563 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.498 4.828 -5.997 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.145 4.879 -5.918 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.304 5.057 -6.606 1.00 0.00 C ATOM 0 H PHE A 41 -8.804 6.313 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.232 4.697 -1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.392 3.643 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.891 2.788 -2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.483 4.221 -4.158 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.260 4.313 -4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.419 4.969 -6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.197 5.061 -6.402 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.276 5.380 -7.636 1.00 0.00 H new ATOM 563 N ALA A 42 -10.654 3.365 0.364 1.00 0.00 N ATOM 564 CA ALA A 42 -10.503 2.883 1.726 1.00 0.00 C ATOM 565 C ALA A 42 -9.287 1.957 1.802 1.00 0.00 C ATOM 566 O ALA A 42 -9.047 1.165 0.892 1.00 0.00 O ATOM 567 CB ALA A 42 -11.792 2.189 2.169 1.00 0.00 C ATOM 0 H ALA A 42 -11.392 2.907 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.329 3.714 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.678 1.828 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.620 2.897 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.998 1.348 1.508 1.00 0.00 H new ATOM 573 N GLU A 43 -8.551 2.088 2.897 1.00 0.00 N ATOM 574 CA GLU A 43 -7.366 1.273 3.104 1.00 0.00 C ATOM 575 C GLU A 43 -7.678 -0.198 2.825 1.00 0.00 C ATOM 576 O GLU A 43 -6.829 -0.932 2.321 1.00 0.00 O ATOM 577 CB GLU A 43 -6.814 1.458 4.518 1.00 0.00 C ATOM 578 CG GLU A 43 -5.567 0.599 4.737 1.00 0.00 C ATOM 579 CD GLU A 43 -5.744 -0.328 5.941 1.00 0.00 C ATOM 580 OE1 GLU A 43 -6.258 0.167 6.968 1.00 0.00 O ATOM 581 OE2 GLU A 43 -5.362 -1.511 5.808 1.00 0.00 O ATOM 0 H GLU A 43 -8.753 2.746 3.650 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.597 1.600 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.570 2.508 4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.578 1.190 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.368 0.007 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.701 1.242 4.893 1.00 0.00 H new ATOM 588 N ASP A 44 -8.899 -0.586 3.164 1.00 0.00 N ATOM 589 CA ASP A 44 -9.334 -1.957 2.956 1.00 0.00 C ATOM 590 C ASP A 44 -9.378 -2.251 1.455 1.00 0.00 C ATOM 591 O ASP A 44 -8.771 -3.214 0.990 1.00 0.00 O ATOM 592 CB ASP A 44 -10.737 -2.181 3.523 1.00 0.00 C ATOM 593 CG ASP A 44 -10.817 -3.195 4.666 1.00 0.00 C ATOM 594 OD1 ASP A 44 -9.747 -3.732 5.025 1.00 0.00 O ATOM 595 OD2 ASP A 44 -11.947 -3.411 5.155 1.00 0.00 O ATOM 0 H ASP A 44 -9.601 0.025 3.581 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.630 -2.616 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.127 -1.226 3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.390 -2.513 2.716 1.00 0.00 H new ATOM 600 N VAL A 45 -10.103 -1.404 0.739 1.00 0.00 N ATOM 601 CA VAL A 45 -10.234 -1.561 -0.699 1.00 0.00 C ATOM 602 C VAL A 45 -8.851 -1.471 -1.346 1.00 0.00 C ATOM 603 O VAL A 45 -8.565 -2.180 -2.310 1.00 0.00 O ATOM 604 CB VAL A 45 -11.220 -0.530 -1.251 1.00 0.00 C ATOM 605 CG1 VAL A 45 -10.964 -0.266 -2.736 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.666 -0.971 -1.013 1.00 0.00 C ATOM 0 H VAL A 45 -10.606 -0.607 1.128 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.642 -2.543 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.063 0.405 -0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.679 0.471 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.951 0.114 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.080 -1.194 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.346 -0.220 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.842 -1.924 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.841 -1.083 0.057 1.00 0.00 H new ATOM 616 N ALA A 46 -8.028 -0.594 -0.790 1.00 0.00 N ATOM 617 CA ALA A 46 -6.682 -0.402 -1.301 1.00 0.00 C ATOM 618 C ALA A 46 -5.926 -1.731 -1.246 1.00 0.00 C ATOM 619 O ALA A 46 -5.086 -2.007 -2.101 1.00 0.00 O ATOM 620 CB ALA A 46 -5.984 0.699 -0.499 1.00 0.00 C ATOM 0 H ALA A 46 -8.268 -0.008 0.010 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.709 -0.081 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.974 0.843 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.544 1.629 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.936 0.410 0.551 1.00 0.00 H new ATOM 626 N ARG A 47 -6.251 -2.519 -0.232 1.00 0.00 N ATOM 627 CA ARG A 47 -5.614 -3.813 -0.055 1.00 0.00 C ATOM 628 C ARG A 47 -6.334 -4.878 -0.885 1.00 0.00 C ATOM 629 O ARG A 47 -5.727 -5.867 -1.293 1.00 0.00 O ATOM 630 CB ARG A 47 -5.620 -4.233 1.416 1.00 0.00 C ATOM 631 CG ARG A 47 -4.199 -4.506 1.914 1.00 0.00 C ATOM 632 CD ARG A 47 -4.170 -4.655 3.437 1.00 0.00 C ATOM 633 NE ARG A 47 -3.178 -5.681 3.826 1.00 0.00 N ATOM 634 CZ ARG A 47 -1.859 -5.461 3.903 1.00 0.00 C ATOM 635 NH1 ARG A 47 -1.365 -4.248 3.617 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.034 -6.452 4.266 1.00 0.00 N ATOM 0 H ARG A 47 -6.948 -2.286 0.476 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.581 -3.722 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.076 -3.449 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.231 -5.127 1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.815 -5.414 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.541 -3.691 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.919 -3.700 3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.158 -4.936 3.802 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.520 -6.615 4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.993 -3.493 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.361 -4.080 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.410 -7.375 4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.030 -6.284 4.324 1.00 0.00 H new ATOM 650 N LYS A 48 -7.617 -4.639 -1.110 1.00 0.00 N ATOM 651 CA LYS A 48 -8.426 -5.565 -1.884 1.00 0.00 C ATOM 652 C LYS A 48 -8.027 -5.475 -3.359 1.00 0.00 C ATOM 653 O LYS A 48 -7.904 -6.495 -4.035 1.00 0.00 O ATOM 654 CB LYS A 48 -9.915 -5.314 -1.634 1.00 0.00 C ATOM 655 CG LYS A 48 -10.283 -5.605 -0.178 1.00 0.00 C ATOM 656 CD LYS A 48 -11.647 -6.291 -0.083 1.00 0.00 C ATOM 657 CE LYS A 48 -12.776 -5.261 -0.014 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.126 -4.970 1.394 1.00 0.00 N ATOM 0 H LYS A 48 -8.117 -3.817 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.241 -6.591 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.158 -4.279 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.510 -5.943 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.521 -6.240 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.300 -4.674 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.793 -6.939 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.677 -6.928 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.470 -4.343 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.652 -5.637 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.894 -4.269 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.438 -5.845 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.293 -4.591 1.888 1.00 0.00 H new ATOM 672 N ALA A 49 -7.835 -4.245 -3.813 1.00 0.00 N ATOM 673 CA ALA A 49 -7.452 -4.009 -5.194 1.00 0.00 C ATOM 674 C ALA A 49 -6.037 -4.544 -5.425 1.00 0.00 C ATOM 675 O ALA A 49 -5.763 -5.163 -6.452 1.00 0.00 O ATOM 676 CB ALA A 49 -7.570 -2.517 -5.509 1.00 0.00 C ATOM 0 H ALA A 49 -7.938 -3.402 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.120 -4.539 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.283 -2.340 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.600 -2.194 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.912 -1.953 -4.849 1.00 0.00 H new ATOM 682 N LEU A 50 -5.175 -4.285 -4.453 1.00 0.00 N ATOM 683 CA LEU A 50 -3.795 -4.732 -4.537 1.00 0.00 C ATOM 684 C LEU A 50 -3.727 -6.225 -4.210 1.00 0.00 C ATOM 685 O LEU A 50 -2.673 -6.845 -4.342 1.00 0.00 O ATOM 686 CB LEU A 50 -2.896 -3.866 -3.652 1.00 0.00 C ATOM 687 CG LEU A 50 -2.994 -2.355 -3.872 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.547 -1.590 -2.624 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.211 -1.930 -5.116 1.00 0.00 C ATOM 0 H LEU A 50 -5.406 -3.771 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.416 -4.610 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.134 -4.078 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.861 -4.170 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.040 -2.102 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.626 -0.518 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.184 -1.863 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.512 -1.843 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.297 -0.852 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.161 -2.198 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.616 -2.437 -5.992 1.00 0.00 H new ATOM 701 N LYS A 51 -4.864 -6.758 -3.788 1.00 0.00 N ATOM 702 CA LYS A 51 -4.946 -8.167 -3.441 1.00 0.00 C ATOM 703 C LYS A 51 -5.304 -8.976 -4.689 1.00 0.00 C ATOM 704 O LYS A 51 -4.845 -10.105 -4.854 1.00 0.00 O ATOM 705 CB LYS A 51 -5.914 -8.375 -2.275 1.00 0.00 C ATOM 706 CG LYS A 51 -6.515 -9.782 -2.306 1.00 0.00 C ATOM 707 CD LYS A 51 -6.939 -10.228 -0.905 1.00 0.00 C ATOM 708 CE LYS A 51 -5.767 -10.866 -0.155 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.017 -10.852 1.304 1.00 0.00 N ATOM 0 H LYS A 51 -5.736 -6.240 -3.678 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.979 -8.530 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.391 -8.220 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.712 -7.634 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.377 -9.799 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.786 -10.484 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.311 -9.371 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.760 -10.942 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.624 -11.891 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.847 -10.325 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.213 -11.288 1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.131 -9.870 1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.884 -11.388 1.513 1.00 0.00 H new ATOM 723 N ALA A 52 -6.120 -8.366 -5.537 1.00 0.00 N ATOM 724 CA ALA A 52 -6.544 -9.016 -6.765 1.00 0.00 C ATOM 725 C ALA A 52 -5.678 -8.521 -7.925 1.00 0.00 C ATOM 726 O ALA A 52 -5.339 -9.289 -8.823 1.00 0.00 O ATOM 727 CB ALA A 52 -8.033 -8.750 -6.995 1.00 0.00 C ATOM 0 H ALA A 52 -6.498 -7.429 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.412 -10.096 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.352 -9.238 -7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.607 -9.146 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.203 -7.676 -7.075 1.00 0.00 H new ATOM 733 N SER A 53 -5.344 -7.240 -7.867 1.00 0.00 N ATOM 734 CA SER A 53 -4.523 -6.633 -8.901 1.00 0.00 C ATOM 735 C SER A 53 -3.044 -6.917 -8.629 1.00 0.00 C ATOM 736 O SER A 53 -2.275 -7.164 -9.556 1.00 0.00 O ATOM 737 CB SER A 53 -4.767 -5.125 -8.984 1.00 0.00 C ATOM 738 OG SER A 53 -6.140 -4.795 -8.792 1.00 0.00 O ATOM 0 H SER A 53 -5.627 -6.606 -7.120 1.00 0.00 H new ATOM 0 HA SER A 53 -4.801 -7.072 -9.859 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.164 -4.618 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.438 -4.758 -9.956 1.00 0.00 H new ATOM 0 HG SER A 53 -6.344 -4.789 -7.833 1.00 0.00 H new ATOM 744 N GLY A 54 -2.691 -6.871 -7.352 1.00 0.00 N ATOM 745 CA GLY A 54 -1.318 -7.120 -6.947 1.00 0.00 C ATOM 746 C GLY A 54 -0.679 -5.856 -6.369 1.00 0.00 C ATOM 747 O GLY A 54 -0.861 -5.546 -5.193 1.00 0.00 O ATOM 0 H GLY A 54 -3.332 -6.665 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.293 -7.917 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.739 -7.465 -7.804 1.00 0.00 H new ATOM 751 N GLY A 55 0.056 -5.159 -7.223 1.00 0.00 N ATOM 752 CA GLY A 55 0.723 -3.936 -6.812 1.00 0.00 C ATOM 753 C GLY A 55 0.370 -2.778 -7.748 1.00 0.00 C ATOM 754 O GLY A 55 0.151 -1.655 -7.297 1.00 0.00 O ATOM 0 H GLY A 55 0.204 -5.418 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.433 -3.685 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.802 -4.090 -6.808 1.00 0.00 H new ATOM 758 N ASP A 56 0.326 -3.092 -9.035 1.00 0.00 N ATOM 759 CA ASP A 56 0.004 -2.092 -10.039 1.00 0.00 C ATOM 760 C ASP A 56 -1.193 -1.266 -9.563 1.00 0.00 C ATOM 761 O ASP A 56 -2.341 -1.674 -9.737 1.00 0.00 O ATOM 762 CB ASP A 56 -0.372 -2.748 -11.369 1.00 0.00 C ATOM 763 CG ASP A 56 0.742 -2.769 -12.417 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.853 -3.214 -12.056 1.00 0.00 O ATOM 765 OD2 ASP A 56 0.458 -2.339 -13.556 1.00 0.00 O ATOM 0 H ASP A 56 0.508 -4.025 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 56 0.883 -1.463 -10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.687 -3.773 -11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.232 -2.224 -11.785 1.00 0.00 H new ATOM 770 N ILE A 57 -0.885 -0.121 -8.973 1.00 0.00 N ATOM 771 CA ILE A 57 -1.921 0.766 -8.472 1.00 0.00 C ATOM 772 C ILE A 57 -2.963 0.996 -9.568 1.00 0.00 C ATOM 773 O ILE A 57 -4.161 0.846 -9.333 1.00 0.00 O ATOM 774 CB ILE A 57 -1.305 2.056 -7.927 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.334 1.759 -6.783 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.392 3.050 -7.514 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.080 1.244 -5.550 1.00 0.00 C ATOM 0 H ILE A 57 0.068 0.213 -8.830 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.440 0.308 -7.630 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.728 2.523 -8.725 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.398 1.018 -7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.219 2.663 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.928 3.958 -7.130 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.008 3.295 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.016 2.606 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.366 1.041 -4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.794 1.997 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.612 0.327 -5.803 1.00 0.00 H new ATOM 789 N GLU A 58 -2.469 1.359 -10.743 1.00 0.00 N ATOM 790 CA GLU A 58 -3.342 1.612 -11.876 1.00 0.00 C ATOM 791 C GLU A 58 -4.350 0.471 -12.035 1.00 0.00 C ATOM 792 O GLU A 58 -5.515 0.707 -12.351 1.00 0.00 O ATOM 793 CB GLU A 58 -2.533 1.811 -13.159 1.00 0.00 C ATOM 794 CG GLU A 58 -2.371 3.298 -13.479 1.00 0.00 C ATOM 795 CD GLU A 58 -3.059 3.653 -14.799 1.00 0.00 C ATOM 796 OE1 GLU A 58 -4.308 3.706 -14.791 1.00 0.00 O ATOM 797 OE2 GLU A 58 -2.321 3.862 -15.786 1.00 0.00 O ATOM 0 H GLU A 58 -1.475 1.484 -10.934 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.892 2.534 -11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.551 1.350 -13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.031 1.309 -13.989 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.795 3.896 -12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.312 3.548 -13.538 1.00 0.00 H new ATOM 804 N LYS A 59 -3.864 -0.741 -11.809 1.00 0.00 N ATOM 805 CA LYS A 59 -4.707 -1.918 -11.924 1.00 0.00 C ATOM 806 C LYS A 59 -5.658 -1.978 -10.726 1.00 0.00 C ATOM 807 O LYS A 59 -6.838 -2.289 -10.881 1.00 0.00 O ATOM 808 CB LYS A 59 -3.851 -3.176 -12.092 1.00 0.00 C ATOM 809 CG LYS A 59 -3.339 -3.302 -13.528 1.00 0.00 C ATOM 810 CD LYS A 59 -2.334 -4.448 -13.653 1.00 0.00 C ATOM 811 CE LYS A 59 -2.663 -5.338 -14.853 1.00 0.00 C ATOM 812 NZ LYS A 59 -1.724 -6.480 -14.925 1.00 0.00 N ATOM 0 H LYS A 59 -2.897 -0.933 -11.547 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.325 -1.858 -12.820 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.007 -3.141 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.438 -4.057 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.177 -3.474 -14.203 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.870 -2.367 -13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.328 -4.044 -13.761 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.342 -5.044 -12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.686 -5.705 -14.771 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.607 -4.755 -15.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.962 -7.074 -15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.752 -6.124 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.798 -7.045 -14.055 1.00 0.00 H new ATOM 826 N ALA A 60 -5.109 -1.674 -9.560 1.00 0.00 N ATOM 827 CA ALA A 60 -5.894 -1.689 -8.337 1.00 0.00 C ATOM 828 C ALA A 60 -7.006 -0.643 -8.437 1.00 0.00 C ATOM 829 O ALA A 60 -8.140 -0.898 -8.034 1.00 0.00 O ATOM 830 CB ALA A 60 -4.975 -1.448 -7.137 1.00 0.00 C ATOM 0 H ALA A 60 -4.130 -1.416 -9.436 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.366 -2.661 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.564 -1.459 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.220 -2.233 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.486 -0.480 -7.242 1.00 0.00 H new ATOM 836 N THR A 61 -6.643 0.511 -8.978 1.00 0.00 N ATOM 837 CA THR A 61 -7.597 1.595 -9.137 1.00 0.00 C ATOM 838 C THR A 61 -8.777 1.146 -10.001 1.00 0.00 C ATOM 839 O THR A 61 -9.893 1.637 -9.837 1.00 0.00 O ATOM 840 CB THR A 61 -6.850 2.802 -9.709 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.888 3.121 -8.707 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.730 4.050 -9.791 1.00 0.00 C ATOM 0 H THR A 61 -5.702 0.719 -9.312 1.00 0.00 H new ATOM 0 HA THR A 61 -8.029 1.885 -8.179 1.00 0.00 H new ATOM 0 HB THR A 61 -6.473 2.558 -10.702 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.121 2.515 -8.785 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.151 4.877 -10.203 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.586 3.850 -10.435 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.080 4.314 -8.793 1.00 0.00 H new ATOM 850 N ASP A 62 -8.490 0.217 -10.901 1.00 0.00 N ATOM 851 CA ASP A 62 -9.514 -0.304 -11.791 1.00 0.00 C ATOM 852 C ASP A 62 -10.364 -1.329 -11.038 1.00 0.00 C ATOM 853 O ASP A 62 -11.591 -1.242 -11.035 1.00 0.00 O ATOM 854 CB ASP A 62 -8.889 -1.003 -13.000 1.00 0.00 C ATOM 855 CG ASP A 62 -9.863 -1.328 -14.134 1.00 0.00 C ATOM 856 OD1 ASP A 62 -10.525 -0.378 -14.603 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.923 -2.520 -14.506 1.00 0.00 O ATOM 0 H ASP A 62 -7.563 -0.188 -11.033 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.122 0.534 -12.134 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.093 -0.371 -13.395 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.423 -1.930 -12.664 1.00 0.00 H new ATOM 862 N TRP A 63 -9.677 -2.278 -10.419 1.00 0.00 N ATOM 863 CA TRP A 63 -10.354 -3.320 -9.664 1.00 0.00 C ATOM 864 C TRP A 63 -11.429 -2.656 -8.802 1.00 0.00 C ATOM 865 O TRP A 63 -12.580 -3.091 -8.794 1.00 0.00 O ATOM 866 CB TRP A 63 -9.355 -4.142 -8.847 1.00 0.00 C ATOM 867 CG TRP A 63 -9.982 -5.324 -8.105 1.00 0.00 C ATOM 868 CD1 TRP A 63 -10.129 -6.584 -8.536 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.543 -5.305 -6.776 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.742 -7.376 -7.586 1.00 0.00 N ATOM 871 CE2 TRP A 63 -11.002 -6.573 -6.482 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.660 -4.251 -5.853 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.608 -6.906 -5.264 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.268 -4.600 -4.641 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.735 -5.871 -4.329 1.00 0.00 C ATOM 0 H TRP A 63 -8.659 -2.348 -10.425 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.836 -4.031 -10.335 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.577 -4.515 -9.513 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.868 -3.488 -8.123 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.808 -6.936 -9.505 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.963 -8.368 -7.677 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.309 -3.251 -6.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.958 -7.906 -5.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.382 -3.827 -3.896 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.194 -6.060 -3.370 1.00 0.00 H new ATOM 886 N VAL A 64 -11.016 -1.613 -8.096 1.00 0.00 N ATOM 887 CA VAL A 64 -11.930 -0.885 -7.232 1.00 0.00 C ATOM 888 C VAL A 64 -13.271 -0.711 -7.947 1.00 0.00 C ATOM 889 O VAL A 64 -14.324 -0.996 -7.378 1.00 0.00 O ATOM 890 CB VAL A 64 -11.301 0.443 -6.807 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.290 1.283 -5.995 1.00 0.00 C ATOM 892 CG2 VAL A 64 -10.007 0.213 -6.025 1.00 0.00 C ATOM 0 H VAL A 64 -10.061 -1.255 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.121 -1.446 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.051 0.999 -7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.818 2.222 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.172 1.492 -6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.585 0.734 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.581 1.174 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.221 -0.373 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.295 -0.326 -6.650 1.00 0.00 H new ATOM 902 N PHE A 65 -13.190 -0.243 -9.184 1.00 0.00 N ATOM 903 CA PHE A 65 -14.384 -0.027 -9.982 1.00 0.00 C ATOM 904 C PHE A 65 -14.856 -1.332 -10.627 1.00 0.00 C ATOM 905 O PHE A 65 -15.984 -1.767 -10.402 1.00 0.00 O ATOM 906 CB PHE A 65 -14.012 0.967 -11.084 1.00 0.00 C ATOM 907 CG PHE A 65 -13.092 2.097 -10.618 1.00 0.00 C ATOM 908 CD1 PHE A 65 -13.280 2.666 -9.397 1.00 0.00 C ATOM 909 CD2 PHE A 65 -12.088 2.533 -11.424 1.00 0.00 C ATOM 910 CE1 PHE A 65 -12.426 3.715 -8.964 1.00 0.00 C ATOM 911 CE2 PHE A 65 -11.234 3.582 -10.991 1.00 0.00 C ATOM 912 CZ PHE A 65 -11.422 4.151 -9.770 1.00 0.00 C ATOM 0 H PHE A 65 -12.315 -0.007 -9.653 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.190 0.348 -9.351 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.525 0.428 -11.896 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.925 1.401 -11.492 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -14.078 2.320 -8.757 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.940 2.082 -12.394 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.574 4.166 -7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.436 3.928 -11.631 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.773 4.949 -9.441 1.00 0.00 H new ATOM 922 N ASN A 66 -13.969 -1.919 -11.416 1.00 0.00 N ATOM 923 CA ASN A 66 -14.280 -3.166 -12.095 1.00 0.00 C ATOM 924 C ASN A 66 -14.384 -4.291 -11.064 1.00 0.00 C ATOM 925 O ASN A 66 -13.380 -4.908 -10.710 1.00 0.00 O ATOM 926 CB ASN A 66 -13.182 -3.538 -13.093 1.00 0.00 C ATOM 927 CG ASN A 66 -13.317 -2.729 -14.385 1.00 0.00 C ATOM 928 OD1 ASN A 66 -12.930 -1.462 -14.271 1.00 0.00 O flip ATOM 929 ND2 ASN A 66 -13.744 -3.223 -15.415 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.034 -1.554 -11.601 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.222 -3.034 -12.628 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.204 -3.357 -12.647 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.237 -4.603 -13.319 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.024 -4.204 -15.433 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.821 -2.655 -16.259 1.00 0.00 H new ATOM 936 N ASN A 67 -15.607 -4.525 -10.611 1.00 0.00 N ATOM 937 CA ASN A 67 -15.854 -5.565 -9.627 1.00 0.00 C ATOM 938 C ASN A 67 -15.224 -5.161 -8.293 1.00 0.00 C ATOM 939 O ASN A 67 -14.019 -4.927 -8.218 1.00 0.00 O ATOM 940 CB ASN A 67 -15.231 -6.893 -10.061 1.00 0.00 C ATOM 941 CG ASN A 67 -15.595 -7.222 -11.511 1.00 0.00 C ATOM 942 OD1 ASN A 67 -16.679 -6.927 -11.988 1.00 0.00 O ATOM 943 ND2 ASN A 67 -14.633 -7.849 -12.181 1.00 0.00 N ATOM 0 H ASN A 67 -16.437 -4.012 -10.907 1.00 0.00 H new ATOM 0 HA ASN A 67 -16.933 -5.687 -9.530 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -14.147 -6.841 -9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.576 -7.692 -9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.779 -8.113 -13.155 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.749 -8.066 -11.721 1.00 0.00 H new ATOM 950 N SER A 68 -16.067 -5.090 -7.274 1.00 0.00 N ATOM 951 CA SER A 68 -15.608 -4.718 -5.947 1.00 0.00 C ATOM 952 C SER A 68 -15.872 -5.858 -4.962 1.00 0.00 C ATOM 953 O SER A 68 -16.705 -6.725 -5.220 1.00 0.00 O ATOM 954 CB SER A 68 -16.289 -3.434 -5.468 1.00 0.00 C ATOM 955 OG SER A 68 -15.709 -2.939 -4.264 1.00 0.00 O ATOM 0 H SER A 68 -17.066 -5.284 -7.341 1.00 0.00 H new ATOM 0 HA SER A 68 -14.535 -4.531 -5.997 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.216 -2.673 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.350 -3.625 -5.308 1.00 0.00 H new ATOM 0 HG SER A 68 -16.170 -2.118 -3.992 1.00 0.00 H new ATOM 961 N GLY A 69 -15.146 -5.821 -3.854 1.00 0.00 N ATOM 962 CA GLY A 69 -15.292 -6.841 -2.830 1.00 0.00 C ATOM 963 C GLY A 69 -16.717 -6.862 -2.275 1.00 0.00 C ATOM 964 O GLY A 69 -17.472 -5.908 -2.457 1.00 0.00 O ATOM 0 H GLY A 69 -14.455 -5.101 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.046 -7.818 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.586 -6.653 -2.021 1.00 0.00 H new ATOM 968 N PRO A 70 -17.052 -7.990 -1.593 1.00 0.00 N ATOM 969 CA PRO A 70 -18.374 -8.147 -1.011 1.00 0.00 C ATOM 970 C PRO A 70 -18.522 -7.298 0.253 1.00 0.00 C ATOM 971 O PRO A 70 -17.528 -6.922 0.872 1.00 0.00 O ATOM 972 CB PRO A 70 -18.511 -9.637 -0.744 1.00 0.00 C ATOM 973 CG PRO A 70 -17.097 -10.194 -0.753 1.00 0.00 C ATOM 974 CD PRO A 70 -16.185 -9.140 -1.359 1.00 0.00 C ATOM 0 HA PRO A 70 -19.168 -7.799 -1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.996 -9.819 0.215 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.124 -10.116 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.777 -10.439 0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.053 -11.116 -1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -15.367 -8.888 -0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -15.735 -9.492 -2.287 1.00 0.00 H new ATOM 982 N SER A 71 -19.770 -7.019 0.598 1.00 0.00 N ATOM 983 CA SER A 71 -20.061 -6.221 1.776 1.00 0.00 C ATOM 984 C SER A 71 -19.354 -4.867 1.679 1.00 0.00 C ATOM 985 O SER A 71 -18.179 -4.750 2.025 1.00 0.00 O ATOM 986 CB SER A 71 -19.638 -6.950 3.053 1.00 0.00 C ATOM 987 OG SER A 71 -20.730 -7.630 3.666 1.00 0.00 O ATOM 0 H SER A 71 -20.592 -7.332 0.082 1.00 0.00 H new ATOM 0 HA SER A 71 -21.138 -6.059 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.851 -7.666 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.216 -6.233 3.757 1.00 0.00 H new ATOM 0 HG SER A 71 -20.419 -8.084 4.477 1.00 0.00 H new ATOM 993 N SER A 72 -20.099 -3.879 1.206 1.00 0.00 N ATOM 994 CA SER A 72 -19.558 -2.538 1.059 1.00 0.00 C ATOM 995 C SER A 72 -20.643 -1.590 0.545 1.00 0.00 C ATOM 996 O SER A 72 -21.209 -1.810 -0.524 1.00 0.00 O ATOM 997 CB SER A 72 -18.355 -2.531 0.114 1.00 0.00 C ATOM 998 OG SER A 72 -17.126 -2.711 0.812 1.00 0.00 O ATOM 0 H SER A 72 -21.073 -3.980 0.920 1.00 0.00 H new ATOM 0 HA SER A 72 -19.220 -2.196 2.037 1.00 0.00 H new ATOM 0 HB2 SER A 72 -18.471 -3.323 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 72 -18.328 -1.587 -0.431 1.00 0.00 H new ATOM 0 HG SER A 72 -17.264 -3.323 1.565 1.00 0.00 H new ATOM 1004 N GLY A 73 -20.900 -0.555 1.332 1.00 0.00 N ATOM 1005 CA GLY A 73 -21.907 0.428 0.970 1.00 0.00 C ATOM 1006 C GLY A 73 -21.887 1.615 1.935 1.00 0.00 C ATOM 1007 O GLY A 73 -22.076 2.758 1.523 1.00 0.00 O ATOM 0 H GLY A 73 -20.428 -0.376 2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -21.729 0.778 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -22.893 -0.036 0.979 1.00 0.00 H new TER 1011 GLY A 73