USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=19 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+ -139:sc= 0.0219 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc=-0.00888 X(o=-0.0089,f=0) 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 : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= 0.0227 F(o=-0.49,f=0.023) USER MOD Single : A 31 SER OG : rot 180:sc= 0.101 USER MOD Single : A 32 SER OG : rot 180:sc= -0.51 USER MOD Single : A 35 THR OG1 : rot 86:sc= 0.903 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 -114:sc= -0.606 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 100:sc= 1.15 USER MOD Single : A 66 ASN : amide:sc= -0.745 K(o=-0.74,f=-1.3) USER MOD Single : A 67 ASN : amide:sc= -0.0978 X(o=-0.098,f=-0.023) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -103:sc= 0.955 USER MOD Single : A 72 SER OG : rot 31:sc= 0.266 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.668 -19.766 -11.397 1.00 0.00 N ATOM 2 CA GLY A 1 -8.459 -19.243 -10.296 1.00 0.00 C ATOM 3 C GLY A 1 -7.611 -18.352 -9.387 1.00 0.00 C ATOM 4 O GLY A 1 -6.736 -17.630 -9.860 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.230 -19.738 -12.272 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.813 -19.186 -11.516 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.395 -20.748 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.301 -18.672 -10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.874 -20.068 -9.718 1.00 0.00 H new ATOM 8 N SER A 2 -7.901 -18.432 -8.096 1.00 0.00 N ATOM 9 CA SER A 2 -7.176 -17.642 -7.116 1.00 0.00 C ATOM 10 C SER A 2 -7.061 -18.417 -5.801 1.00 0.00 C ATOM 11 O SER A 2 -5.957 -18.673 -5.323 1.00 0.00 O ATOM 12 CB SER A 2 -7.861 -16.295 -6.879 1.00 0.00 C ATOM 13 OG SER A 2 -7.090 -15.208 -7.384 1.00 0.00 O ATOM 0 H SER A 2 -8.628 -19.032 -7.707 1.00 0.00 H new ATOM 0 HA SER A 2 -6.177 -17.448 -7.505 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.841 -16.297 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.028 -16.156 -5.811 1.00 0.00 H new ATOM 0 HG SER A 2 -7.562 -14.366 -7.215 1.00 0.00 H new ATOM 19 N SER A 3 -8.216 -18.767 -5.255 1.00 0.00 N ATOM 20 CA SER A 3 -8.258 -19.507 -4.005 1.00 0.00 C ATOM 21 C SER A 3 -7.443 -18.776 -2.936 1.00 0.00 C ATOM 22 O SER A 3 -6.226 -18.937 -2.860 1.00 0.00 O ATOM 23 CB SER A 3 -7.732 -20.932 -4.191 1.00 0.00 C ATOM 24 OG SER A 3 -8.747 -21.908 -3.968 1.00 0.00 O ATOM 0 H SER A 3 -9.129 -18.552 -5.655 1.00 0.00 H new ATOM 0 HA SER A 3 -9.297 -19.571 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.337 -21.044 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.904 -21.106 -3.503 1.00 0.00 H new ATOM 0 HG SER A 3 -8.373 -22.804 -4.098 1.00 0.00 H new ATOM 30 N GLY A 4 -8.147 -17.989 -2.136 1.00 0.00 N ATOM 31 CA GLY A 4 -7.504 -17.233 -1.075 1.00 0.00 C ATOM 32 C GLY A 4 -8.541 -16.634 -0.123 1.00 0.00 C ATOM 33 O GLY A 4 -9.080 -15.559 -0.382 1.00 0.00 O ATOM 0 H GLY A 4 -9.157 -17.858 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.827 -17.882 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.898 -16.436 -1.507 1.00 0.00 H new ATOM 37 N SER A 5 -8.790 -17.356 0.960 1.00 0.00 N ATOM 38 CA SER A 5 -9.753 -16.909 1.952 1.00 0.00 C ATOM 39 C SER A 5 -9.124 -16.951 3.347 1.00 0.00 C ATOM 40 O SER A 5 -9.234 -17.954 4.051 1.00 0.00 O ATOM 41 CB SER A 5 -11.019 -17.766 1.915 1.00 0.00 C ATOM 42 OG SER A 5 -11.534 -17.902 0.593 1.00 0.00 O ATOM 0 H SER A 5 -8.342 -18.247 1.172 1.00 0.00 H new ATOM 0 HA SER A 5 -10.035 -15.882 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.800 -18.753 2.322 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.779 -17.318 2.556 1.00 0.00 H new ATOM 0 HG SER A 5 -12.341 -18.457 0.612 1.00 0.00 H new ATOM 48 N SER A 6 -8.481 -15.849 3.704 1.00 0.00 N ATOM 49 CA SER A 6 -7.835 -15.747 5.002 1.00 0.00 C ATOM 50 C SER A 6 -7.561 -14.280 5.336 1.00 0.00 C ATOM 51 O SER A 6 -7.314 -13.472 4.442 1.00 0.00 O ATOM 52 CB SER A 6 -6.534 -16.551 5.034 1.00 0.00 C ATOM 53 OG SER A 6 -5.541 -15.995 4.177 1.00 0.00 O ATOM 0 H SER A 6 -8.393 -15.019 3.117 1.00 0.00 H new ATOM 0 HA SER A 6 -8.507 -16.164 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.154 -16.585 6.055 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.736 -17.580 4.735 1.00 0.00 H new ATOM 0 HG SER A 6 -4.725 -16.536 4.227 1.00 0.00 H new ATOM 59 N GLY A 7 -7.613 -13.980 6.625 1.00 0.00 N ATOM 60 CA GLY A 7 -7.373 -12.624 7.089 1.00 0.00 C ATOM 61 C GLY A 7 -7.871 -12.438 8.523 1.00 0.00 C ATOM 62 O GLY A 7 -9.064 -12.574 8.793 1.00 0.00 O ATOM 0 H GLY A 7 -7.818 -14.653 7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.307 -12.402 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.877 -11.916 6.431 1.00 0.00 H new ATOM 66 N LEU A 8 -6.932 -12.131 9.406 1.00 0.00 N ATOM 67 CA LEU A 8 -7.261 -11.926 10.807 1.00 0.00 C ATOM 68 C LEU A 8 -5.995 -11.530 11.570 1.00 0.00 C ATOM 69 O LEU A 8 -4.884 -11.808 11.123 1.00 0.00 O ATOM 70 CB LEU A 8 -7.963 -13.159 11.379 1.00 0.00 C ATOM 71 CG LEU A 8 -9.308 -12.907 12.064 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.145 -11.977 13.267 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.341 -12.378 11.066 1.00 0.00 C ATOM 0 H LEU A 8 -5.944 -12.019 9.179 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.970 -11.105 10.916 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.118 -13.873 10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.294 -13.632 12.098 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.683 -13.858 12.441 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.116 -11.814 13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.465 -12.431 13.988 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.737 -11.022 12.936 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.288 -12.207 11.578 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.986 -11.441 10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.486 -13.109 10.270 1.00 0.00 H new ATOM 85 N LEU A 9 -6.207 -10.887 12.709 1.00 0.00 N ATOM 86 CA LEU A 9 -5.097 -10.450 13.539 1.00 0.00 C ATOM 87 C LEU A 9 -4.340 -9.330 12.823 1.00 0.00 C ATOM 88 O LEU A 9 -3.926 -9.491 11.676 1.00 0.00 O ATOM 89 CB LEU A 9 -4.215 -11.640 13.924 1.00 0.00 C ATOM 90 CG LEU A 9 -3.665 -11.633 15.352 1.00 0.00 C ATOM 91 CD1 LEU A 9 -2.744 -10.434 15.579 1.00 0.00 C ATOM 92 CD2 LEU A 9 -4.801 -11.687 16.376 1.00 0.00 C ATOM 0 H LEU A 9 -7.131 -10.658 13.077 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.464 -10.037 14.479 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.791 -12.555 13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.374 -11.682 13.232 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.063 -12.531 15.491 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.367 -10.453 16.602 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.907 -10.481 14.883 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.301 -9.511 15.415 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.384 -11.681 17.383 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.449 -10.820 16.247 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.380 -12.598 16.229 1.00 0.00 H new ATOM 104 N SER A 10 -4.184 -8.220 13.529 1.00 0.00 N ATOM 105 CA SER A 10 -3.485 -7.073 12.975 1.00 0.00 C ATOM 106 C SER A 10 -1.997 -7.392 12.819 1.00 0.00 C ATOM 107 O SER A 10 -1.381 -7.956 13.722 1.00 0.00 O ATOM 108 CB SER A 10 -3.672 -5.835 13.855 1.00 0.00 C ATOM 109 OG SER A 10 -4.995 -5.313 13.766 1.00 0.00 O ATOM 0 H SER A 10 -4.530 -8.090 14.480 1.00 0.00 H new ATOM 0 HA SER A 10 -3.909 -6.856 11.995 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.452 -6.090 14.892 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.958 -5.067 13.557 1.00 0.00 H new ATOM 0 HG SER A 10 -5.075 -4.525 14.343 1.00 0.00 H new ATOM 115 N HIS A 11 -1.462 -7.018 11.666 1.00 0.00 N ATOM 116 CA HIS A 11 -0.057 -7.258 11.380 1.00 0.00 C ATOM 117 C HIS A 11 0.624 -5.939 11.010 1.00 0.00 C ATOM 118 O HIS A 11 0.382 -5.391 9.936 1.00 0.00 O ATOM 119 CB HIS A 11 0.102 -8.330 10.300 1.00 0.00 C ATOM 120 CG HIS A 11 0.372 -9.713 10.842 1.00 0.00 C ATOM 121 ND1 HIS A 11 1.291 -10.576 10.271 1.00 0.00 N ATOM 122 CD2 HIS A 11 -0.165 -10.373 11.909 1.00 0.00 C ATOM 123 CE1 HIS A 11 1.298 -11.702 10.971 1.00 0.00 C ATOM 124 NE2 HIS A 11 0.395 -11.574 11.985 1.00 0.00 N ATOM 0 H HIS A 11 -1.976 -6.551 10.919 1.00 0.00 H new ATOM 0 HA HIS A 11 0.438 -7.645 12.271 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.804 -8.359 9.695 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.919 -8.045 9.637 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.918 -9.984 12.578 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.911 -12.569 10.773 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.185 -12.284 12.686 1.00 0.00 H new ATOM 132 N MET A 12 1.462 -5.468 11.921 1.00 0.00 N ATOM 133 CA MET A 12 2.180 -4.223 11.705 1.00 0.00 C ATOM 134 C MET A 12 3.692 -4.439 11.795 1.00 0.00 C ATOM 135 O MET A 12 4.149 -5.402 12.408 1.00 0.00 O ATOM 136 CB MET A 12 1.748 -3.195 12.752 1.00 0.00 C ATOM 137 CG MET A 12 2.050 -3.694 14.167 1.00 0.00 C ATOM 138 SD MET A 12 1.739 -2.396 15.352 1.00 0.00 S ATOM 139 CE MET A 12 3.358 -1.647 15.423 1.00 0.00 C ATOM 0 H MET A 12 1.660 -5.926 12.811 1.00 0.00 H new ATOM 0 HA MET A 12 1.943 -3.858 10.706 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.266 -2.252 12.577 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.681 -2.996 12.653 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.431 -4.562 14.395 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.089 -4.017 14.233 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.342 -0.812 16.123 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.086 -2.386 15.757 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.635 -1.285 14.433 1.00 0.00 H new ATOM 149 N ASP A 13 4.426 -3.527 11.175 1.00 0.00 N ATOM 150 CA ASP A 13 5.877 -3.606 11.177 1.00 0.00 C ATOM 151 C ASP A 13 6.373 -3.744 12.618 1.00 0.00 C ATOM 152 O ASP A 13 5.843 -3.104 13.525 1.00 0.00 O ATOM 153 CB ASP A 13 6.498 -2.341 10.582 1.00 0.00 C ATOM 154 CG ASP A 13 6.594 -2.324 9.055 1.00 0.00 C ATOM 155 OD1 ASP A 13 7.548 -2.946 8.540 1.00 0.00 O ATOM 156 OD2 ASP A 13 5.711 -1.690 8.438 1.00 0.00 O ATOM 0 H ASP A 13 4.043 -2.729 10.668 1.00 0.00 H new ATOM 0 HA ASP A 13 6.169 -4.468 10.577 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.911 -1.481 10.904 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.499 -2.217 10.995 1.00 0.00 H new ATOM 161 N ASP A 14 7.386 -4.583 12.783 1.00 0.00 N ATOM 162 CA ASP A 14 7.959 -4.813 14.098 1.00 0.00 C ATOM 163 C ASP A 14 9.141 -3.864 14.307 1.00 0.00 C ATOM 164 O ASP A 14 9.883 -3.574 13.369 1.00 0.00 O ATOM 165 CB ASP A 14 8.475 -6.247 14.231 1.00 0.00 C ATOM 166 CG ASP A 14 7.389 -7.313 14.390 1.00 0.00 C ATOM 167 OD1 ASP A 14 6.867 -7.751 13.342 1.00 0.00 O ATOM 168 OD2 ASP A 14 7.106 -7.665 15.555 1.00 0.00 O ATOM 0 H ASP A 14 7.824 -5.111 12.028 1.00 0.00 H new ATOM 0 HA ASP A 14 7.180 -4.640 14.840 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.071 -6.486 13.350 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.142 -6.299 15.091 1.00 0.00 H new ATOM 173 N PRO A 15 9.284 -3.394 15.575 1.00 0.00 N ATOM 174 CA PRO A 15 10.363 -2.484 15.919 1.00 0.00 C ATOM 175 C PRO A 15 11.699 -3.225 16.007 1.00 0.00 C ATOM 176 O PRO A 15 12.744 -2.608 16.208 1.00 0.00 O ATOM 177 CB PRO A 15 9.944 -1.858 17.239 1.00 0.00 C ATOM 178 CG PRO A 15 8.878 -2.775 17.816 1.00 0.00 C ATOM 179 CD PRO A 15 8.425 -3.715 16.711 1.00 0.00 C ATOM 0 HA PRO A 15 10.523 -1.716 15.162 1.00 0.00 H new ATOM 0 HB2 PRO A 15 10.793 -1.771 17.917 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.553 -0.852 17.087 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.276 -3.340 18.659 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.036 -2.193 18.191 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.535 -4.758 17.008 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.373 -3.562 16.468 1.00 0.00 H new ATOM 187 N ASP A 16 11.621 -4.539 15.851 1.00 0.00 N ATOM 188 CA ASP A 16 12.811 -5.371 15.910 1.00 0.00 C ATOM 189 C ASP A 16 12.767 -6.397 14.776 1.00 0.00 C ATOM 190 O ASP A 16 12.205 -7.480 14.936 1.00 0.00 O ATOM 191 CB ASP A 16 12.885 -6.133 17.235 1.00 0.00 C ATOM 192 CG ASP A 16 11.580 -6.801 17.670 1.00 0.00 C ATOM 193 OD1 ASP A 16 10.744 -6.084 18.261 1.00 0.00 O ATOM 194 OD2 ASP A 16 11.448 -8.015 17.403 1.00 0.00 O ATOM 0 H ASP A 16 10.753 -5.047 15.684 1.00 0.00 H new ATOM 0 HA ASP A 16 13.682 -4.722 15.818 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.658 -6.898 17.154 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.200 -5.442 18.017 1.00 0.00 H new ATOM 199 N ILE A 17 13.367 -6.020 13.657 1.00 0.00 N ATOM 200 CA ILE A 17 13.403 -6.895 12.497 1.00 0.00 C ATOM 201 C ILE A 17 14.858 -7.226 12.158 1.00 0.00 C ATOM 202 O ILE A 17 15.666 -7.475 13.052 1.00 0.00 O ATOM 203 CB ILE A 17 12.627 -6.274 11.333 1.00 0.00 C ATOM 204 CG1 ILE A 17 11.462 -5.423 11.843 1.00 0.00 C ATOM 205 CG2 ILE A 17 12.164 -7.348 10.348 1.00 0.00 C ATOM 206 CD1 ILE A 17 10.667 -4.828 10.680 1.00 0.00 C ATOM 0 H ILE A 17 13.832 -5.121 13.528 1.00 0.00 H new ATOM 0 HA ILE A 17 12.903 -7.839 12.716 1.00 0.00 H new ATOM 0 HB ILE A 17 13.299 -5.608 10.791 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.805 -6.034 12.462 1.00 0.00 H new ATOM 0 HG13 ILE A 17 11.842 -4.621 12.476 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.615 -6.880 9.531 1.00 0.00 H new ATOM 0 HG22 ILE A 17 13.031 -7.874 9.949 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.515 -8.057 10.862 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.845 -4.228 11.070 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.321 -4.199 10.076 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.267 -5.633 10.063 1.00 0.00 H new ATOM 218 N ASP A 18 15.148 -7.218 10.865 1.00 0.00 N ATOM 219 CA ASP A 18 16.491 -7.514 10.398 1.00 0.00 C ATOM 220 C ASP A 18 17.006 -8.771 11.103 1.00 0.00 C ATOM 221 O ASP A 18 17.648 -8.682 12.148 1.00 0.00 O ATOM 222 CB ASP A 18 17.451 -6.366 10.717 1.00 0.00 C ATOM 223 CG ASP A 18 18.744 -6.358 9.898 1.00 0.00 C ATOM 224 OD1 ASP A 18 18.630 -6.445 8.657 1.00 0.00 O ATOM 225 OD2 ASP A 18 19.817 -6.265 10.533 1.00 0.00 O ATOM 0 H ASP A 18 14.475 -7.011 10.127 1.00 0.00 H new ATOM 0 HA ASP A 18 16.448 -7.659 9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.931 -5.422 10.556 1.00 0.00 H new ATOM 0 HB3 ASP A 18 17.709 -6.411 11.775 1.00 0.00 H new ATOM 230 N ALA A 19 16.706 -9.913 10.502 1.00 0.00 N ATOM 231 CA ALA A 19 17.130 -11.186 11.059 1.00 0.00 C ATOM 232 C ALA A 19 16.717 -12.315 10.113 1.00 0.00 C ATOM 233 O ALA A 19 15.799 -12.153 9.310 1.00 0.00 O ATOM 234 CB ALA A 19 16.538 -11.353 12.460 1.00 0.00 C ATOM 0 H ALA A 19 16.174 -9.983 9.634 1.00 0.00 H new ATOM 0 HA ALA A 19 18.215 -11.219 11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.856 -12.308 12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.886 -10.543 13.101 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.450 -11.327 12.401 1.00 0.00 H new ATOM 240 N PRO A 20 17.434 -13.464 10.241 1.00 0.00 N ATOM 241 CA PRO A 20 17.151 -14.619 9.407 1.00 0.00 C ATOM 242 C PRO A 20 15.872 -15.325 9.863 1.00 0.00 C ATOM 243 O PRO A 20 15.881 -16.528 10.119 1.00 0.00 O ATOM 244 CB PRO A 20 18.387 -15.497 9.519 1.00 0.00 C ATOM 245 CG PRO A 20 19.117 -15.031 10.768 1.00 0.00 C ATOM 246 CD PRO A 20 18.528 -13.692 11.180 1.00 0.00 C ATOM 0 HA PRO A 20 16.962 -14.351 8.367 1.00 0.00 H new ATOM 0 HB2 PRO A 20 18.113 -16.549 9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 20 19.019 -15.396 8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 20 19.005 -15.760 11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 20 20.185 -14.934 10.572 1.00 0.00 H new ATOM 0 HD2 PRO A 20 18.168 -13.717 12.209 1.00 0.00 H new ATOM 0 HD3 PRO A 20 19.272 -12.897 11.122 1.00 0.00 H new ATOM 254 N ILE A 21 14.804 -14.547 9.951 1.00 0.00 N ATOM 255 CA ILE A 21 13.520 -15.082 10.371 1.00 0.00 C ATOM 256 C ILE A 21 12.399 -14.339 9.642 1.00 0.00 C ATOM 257 O ILE A 21 12.270 -13.123 9.771 1.00 0.00 O ATOM 258 CB ILE A 21 13.396 -15.040 11.896 1.00 0.00 C ATOM 259 CG1 ILE A 21 14.687 -15.518 12.564 1.00 0.00 C ATOM 260 CG2 ILE A 21 12.177 -15.835 12.369 1.00 0.00 C ATOM 261 CD1 ILE A 21 14.539 -15.544 14.087 1.00 0.00 C ATOM 0 H ILE A 21 14.801 -13.549 9.738 1.00 0.00 H new ATOM 0 HA ILE A 21 13.437 -16.133 10.096 1.00 0.00 H new ATOM 0 HB ILE A 21 13.242 -14.004 12.198 1.00 0.00 H new ATOM 0 HG12 ILE A 21 14.940 -16.515 12.203 1.00 0.00 H new ATOM 0 HG13 ILE A 21 15.510 -14.859 12.286 1.00 0.00 H new ATOM 0 HG21 ILE A 21 12.112 -15.789 13.456 1.00 0.00 H new ATOM 0 HG22 ILE A 21 11.273 -15.409 11.933 1.00 0.00 H new ATOM 0 HG23 ILE A 21 12.276 -16.874 12.055 1.00 0.00 H new ATOM 0 HD11 ILE A 21 15.470 -15.887 14.537 1.00 0.00 H new ATOM 0 HD12 ILE A 21 14.310 -14.541 14.447 1.00 0.00 H new ATOM 0 HD13 ILE A 21 13.731 -16.222 14.363 1.00 0.00 H new ATOM 273 N SER A 22 11.617 -15.102 8.893 1.00 0.00 N ATOM 274 CA SER A 22 10.510 -14.531 8.144 1.00 0.00 C ATOM 275 C SER A 22 9.527 -15.632 7.742 1.00 0.00 C ATOM 276 O SER A 22 9.930 -16.765 7.484 1.00 0.00 O ATOM 277 CB SER A 22 11.011 -13.788 6.904 1.00 0.00 C ATOM 278 OG SER A 22 9.937 -13.305 6.101 1.00 0.00 O ATOM 0 H SER A 22 11.728 -16.111 8.789 1.00 0.00 H new ATOM 0 HA SER A 22 9.998 -13.812 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.639 -12.951 7.211 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.637 -14.454 6.310 1.00 0.00 H new ATOM 0 HG SER A 22 10.298 -12.835 5.320 1.00 0.00 H new ATOM 284 N HIS A 23 8.256 -15.261 7.702 1.00 0.00 N ATOM 285 CA HIS A 23 7.212 -16.203 7.335 1.00 0.00 C ATOM 286 C HIS A 23 6.399 -15.640 6.168 1.00 0.00 C ATOM 287 O HIS A 23 6.611 -14.502 5.751 1.00 0.00 O ATOM 288 CB HIS A 23 6.345 -16.551 8.547 1.00 0.00 C ATOM 289 CG HIS A 23 7.020 -17.466 9.542 1.00 0.00 C ATOM 290 ND1 HIS A 23 7.514 -17.020 10.755 1.00 0.00 N ATOM 291 CD2 HIS A 23 7.275 -18.805 9.491 1.00 0.00 C ATOM 292 CE1 HIS A 23 8.042 -18.052 11.396 1.00 0.00 C ATOM 293 NE2 HIS A 23 7.893 -19.157 10.611 1.00 0.00 N ATOM 0 H HIS A 23 7.925 -14.321 7.918 1.00 0.00 H new ATOM 0 HA HIS A 23 7.662 -17.138 7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.059 -15.629 9.053 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.426 -17.023 8.200 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.018 -19.466 8.677 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.509 -18.023 12.370 1.00 0.00 H new ATOM 0 HE2 HIS A 23 8.205 -20.099 10.846 1.00 0.00 H new ATOM 301 N GLN A 24 5.486 -16.463 5.673 1.00 0.00 N ATOM 302 CA GLN A 24 4.641 -16.061 4.562 1.00 0.00 C ATOM 303 C GLN A 24 4.192 -14.609 4.734 1.00 0.00 C ATOM 304 O GLN A 24 3.413 -14.299 5.634 1.00 0.00 O ATOM 305 CB GLN A 24 3.437 -16.995 4.424 1.00 0.00 C ATOM 306 CG GLN A 24 2.634 -16.672 3.162 1.00 0.00 C ATOM 307 CD GLN A 24 2.418 -17.926 2.313 1.00 0.00 C ATOM 308 OE1 GLN A 24 1.455 -18.658 2.474 1.00 0.00 O ATOM 309 NE2 GLN A 24 3.365 -18.132 1.403 1.00 0.00 N ATOM 0 H GLN A 24 5.313 -17.406 6.021 1.00 0.00 H new ATOM 0 HA GLN A 24 5.223 -16.133 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.777 -18.030 4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.797 -16.901 5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.670 -16.246 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.159 -15.918 2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.145 -17.479 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.312 -18.943 0.786 1.00 0.00 H new ATOM 318 N THR A 25 4.702 -13.757 3.856 1.00 0.00 N ATOM 319 CA THR A 25 4.363 -12.345 3.900 1.00 0.00 C ATOM 320 C THR A 25 3.500 -11.966 2.695 1.00 0.00 C ATOM 321 O THR A 25 3.464 -12.689 1.701 1.00 0.00 O ATOM 322 CB THR A 25 5.667 -11.549 3.988 1.00 0.00 C ATOM 323 OG1 THR A 25 5.255 -10.255 4.423 1.00 0.00 O ATOM 324 CG2 THR A 25 6.293 -11.298 2.614 1.00 0.00 C ATOM 0 H THR A 25 5.347 -14.018 3.110 1.00 0.00 H new ATOM 0 HA THR A 25 3.761 -12.110 4.778 1.00 0.00 H new ATOM 0 HB THR A 25 6.377 -12.084 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.039 -9.674 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.215 -10.730 2.733 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.514 -12.252 2.135 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.596 -10.733 1.994 1.00 0.00 H new ATOM 332 N SER A 26 2.825 -10.834 2.824 1.00 0.00 N ATOM 333 CA SER A 26 1.963 -10.350 1.759 1.00 0.00 C ATOM 334 C SER A 26 2.785 -9.553 0.743 1.00 0.00 C ATOM 335 O SER A 26 3.842 -9.021 1.076 1.00 0.00 O ATOM 336 CB SER A 26 0.828 -9.489 2.316 1.00 0.00 C ATOM 337 OG SER A 26 1.317 -8.354 3.025 1.00 0.00 O ATOM 0 H SER A 26 2.857 -10.237 3.651 1.00 0.00 H new ATOM 0 HA SER A 26 1.517 -11.211 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.189 -9.157 1.497 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.208 -10.092 2.980 1.00 0.00 H new ATOM 0 HG SER A 26 0.562 -7.829 3.363 1.00 0.00 H new ATOM 343 N ASP A 27 2.266 -9.496 -0.475 1.00 0.00 N ATOM 344 CA ASP A 27 2.938 -8.773 -1.541 1.00 0.00 C ATOM 345 C ASP A 27 2.439 -7.327 -1.564 1.00 0.00 C ATOM 346 O ASP A 27 3.093 -6.450 -2.127 1.00 0.00 O ATOM 347 CB ASP A 27 2.639 -9.398 -2.905 1.00 0.00 C ATOM 348 CG ASP A 27 3.210 -10.803 -3.112 1.00 0.00 C ATOM 349 OD1 ASP A 27 3.072 -11.616 -2.172 1.00 0.00 O ATOM 350 OD2 ASP A 27 3.771 -11.032 -4.205 1.00 0.00 O ATOM 0 H ASP A 27 1.388 -9.939 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 27 4.011 -8.816 -1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.558 -9.438 -3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.034 -8.744 -3.682 1.00 0.00 H new ATOM 355 N ILE A 28 1.285 -7.123 -0.946 1.00 0.00 N ATOM 356 CA ILE A 28 0.691 -5.798 -0.889 1.00 0.00 C ATOM 357 C ILE A 28 1.637 -4.852 -0.147 1.00 0.00 C ATOM 358 O ILE A 28 1.750 -4.914 1.076 1.00 0.00 O ATOM 359 CB ILE A 28 -0.712 -5.866 -0.282 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.646 -6.709 -1.153 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.270 -4.464 -0.033 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.608 -7.529 -0.291 1.00 0.00 C ATOM 0 H ILE A 28 0.746 -7.853 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 28 0.560 -5.395 -1.893 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.642 -6.361 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.213 -6.059 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.058 -7.376 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.268 -4.541 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.617 -3.930 0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.324 -3.921 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.261 -8.119 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.038 -8.195 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.211 -6.858 0.320 1.00 0.00 H new ATOM 374 N ASP A 29 2.292 -3.997 -0.919 1.00 0.00 N ATOM 375 CA ASP A 29 3.224 -3.038 -0.350 1.00 0.00 C ATOM 376 C ASP A 29 2.447 -1.986 0.444 1.00 0.00 C ATOM 377 O ASP A 29 1.487 -1.406 -0.061 1.00 0.00 O ATOM 378 CB ASP A 29 4.010 -2.317 -1.447 1.00 0.00 C ATOM 379 CG ASP A 29 4.530 -3.218 -2.569 1.00 0.00 C ATOM 380 OD1 ASP A 29 3.676 -3.767 -3.298 1.00 0.00 O ATOM 381 OD2 ASP A 29 5.770 -3.338 -2.671 1.00 0.00 O ATOM 0 H ASP A 29 2.196 -3.948 -1.933 1.00 0.00 H new ATOM 0 HA ASP A 29 3.917 -3.582 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.373 -1.549 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.857 -1.806 -0.990 1.00 0.00 H new ATOM 386 N GLN A 30 2.890 -1.773 1.674 1.00 0.00 N ATOM 387 CA GLN A 30 2.248 -0.801 2.543 1.00 0.00 C ATOM 388 C GLN A 30 2.145 0.553 1.840 1.00 0.00 C ATOM 389 O GLN A 30 1.135 1.245 1.961 1.00 0.00 O ATOM 390 CB GLN A 30 2.996 -0.674 3.871 1.00 0.00 C ATOM 391 CG GLN A 30 2.261 0.267 4.827 1.00 0.00 C ATOM 392 CD GLN A 30 1.235 -0.497 5.668 1.00 0.00 C ATOM 393 OE1 GLN A 30 -0.002 -0.456 5.180 1.00 0.00 O flip ATOM 394 NE2 GLN A 30 1.546 -1.084 6.691 1.00 0.00 N flip ATOM 0 H GLN A 30 3.686 -2.257 2.090 1.00 0.00 H new ATOM 0 HA GLN A 30 1.240 -1.151 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.098 -1.657 4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.004 -0.300 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.980 0.759 5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.760 1.050 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.515 -1.075 7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.837 -1.584 7.228 1.00 0.00 H new ATOM 403 N SER A 31 3.205 0.892 1.119 1.00 0.00 N ATOM 404 CA SER A 31 3.246 2.152 0.397 1.00 0.00 C ATOM 405 C SER A 31 2.119 2.200 -0.636 1.00 0.00 C ATOM 406 O SER A 31 1.546 3.260 -0.885 1.00 0.00 O ATOM 407 CB SER A 31 4.601 2.350 -0.287 1.00 0.00 C ATOM 408 OG SER A 31 5.527 1.322 0.055 1.00 0.00 O ATOM 0 H SER A 31 4.041 0.316 1.020 1.00 0.00 H new ATOM 0 HA SER A 31 3.108 2.962 1.114 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.462 2.368 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.013 3.318 -0.002 1.00 0.00 H new ATOM 0 HG SER A 31 6.378 1.483 -0.403 1.00 0.00 H new ATOM 414 N SER A 32 1.833 1.040 -1.209 1.00 0.00 N ATOM 415 CA SER A 32 0.784 0.937 -2.209 1.00 0.00 C ATOM 416 C SER A 32 -0.579 1.203 -1.567 1.00 0.00 C ATOM 417 O SER A 32 -1.330 2.060 -2.029 1.00 0.00 O ATOM 418 CB SER A 32 0.796 -0.438 -2.880 1.00 0.00 C ATOM 419 OG SER A 32 2.018 -0.684 -3.571 1.00 0.00 O ATOM 0 H SER A 32 2.310 0.163 -1.000 1.00 0.00 H new ATOM 0 HA SER A 32 0.969 1.688 -2.977 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.644 -1.211 -2.126 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.037 -0.507 -3.580 1.00 0.00 H new ATOM 0 HG SER A 32 1.987 -1.572 -3.984 1.00 0.00 H new ATOM 425 N VAL A 33 -0.856 0.452 -0.511 1.00 0.00 N ATOM 426 CA VAL A 33 -2.115 0.596 0.200 1.00 0.00 C ATOM 427 C VAL A 33 -2.374 2.078 0.477 1.00 0.00 C ATOM 428 O VAL A 33 -3.517 2.529 0.443 1.00 0.00 O ATOM 429 CB VAL A 33 -2.099 -0.256 1.471 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.367 -0.031 2.297 1.00 0.00 C ATOM 431 CG2 VAL A 33 -1.919 -1.738 1.135 1.00 0.00 C ATOM 0 H VAL A 33 -0.230 -0.258 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.941 0.231 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.246 0.057 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.331 -0.648 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.435 1.019 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.240 -0.304 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.911 -2.321 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.742 -2.070 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.976 -1.880 0.608 1.00 0.00 H new ATOM 441 N ASP A 34 -1.292 2.795 0.743 1.00 0.00 N ATOM 442 CA ASP A 34 -1.387 4.217 1.026 1.00 0.00 C ATOM 443 C ASP A 34 -1.513 4.986 -0.291 1.00 0.00 C ATOM 444 O ASP A 34 -2.141 6.042 -0.339 1.00 0.00 O ATOM 445 CB ASP A 34 -0.136 4.719 1.750 1.00 0.00 C ATOM 446 CG ASP A 34 -0.364 5.907 2.686 1.00 0.00 C ATOM 447 OD1 ASP A 34 -1.217 6.751 2.335 1.00 0.00 O ATOM 448 OD2 ASP A 34 0.318 5.945 3.732 1.00 0.00 O ATOM 0 H ASP A 34 -0.345 2.418 0.768 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.259 4.378 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.286 3.896 2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.608 5.000 1.005 1.00 0.00 H new ATOM 453 N THR A 35 -0.904 4.427 -1.326 1.00 0.00 N ATOM 454 CA THR A 35 -0.940 5.048 -2.640 1.00 0.00 C ATOM 455 C THR A 35 -2.383 5.160 -3.137 1.00 0.00 C ATOM 456 O THR A 35 -2.703 6.043 -3.931 1.00 0.00 O ATOM 457 CB THR A 35 -0.037 4.237 -3.571 1.00 0.00 C ATOM 458 OG1 THR A 35 1.260 4.367 -2.997 1.00 0.00 O ATOM 459 CG2 THR A 35 0.101 4.875 -4.955 1.00 0.00 C ATOM 0 H THR A 35 -0.383 3.551 -1.282 1.00 0.00 H new ATOM 0 HA THR A 35 -0.561 6.069 -2.606 1.00 0.00 H new ATOM 0 HB THR A 35 -0.436 3.228 -3.675 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.385 3.677 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.752 4.260 -5.576 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.882 4.949 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.531 5.872 -4.855 1.00 0.00 H new ATOM 467 N LEU A 36 -3.215 4.251 -2.650 1.00 0.00 N ATOM 468 CA LEU A 36 -4.616 4.236 -3.036 1.00 0.00 C ATOM 469 C LEU A 36 -5.438 4.983 -1.983 1.00 0.00 C ATOM 470 O LEU A 36 -6.592 5.334 -2.226 1.00 0.00 O ATOM 471 CB LEU A 36 -5.089 2.802 -3.281 1.00 0.00 C ATOM 472 CG LEU A 36 -4.665 2.174 -4.611 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.477 0.663 -4.468 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.654 2.526 -5.723 1.00 0.00 C ATOM 0 H LEU A 36 -2.946 3.520 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.756 4.759 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.718 2.174 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.177 2.785 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.700 2.593 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.176 0.241 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.706 0.461 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.415 0.208 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.329 2.068 -6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.644 2.153 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.694 3.608 -5.845 1.00 0.00 H new ATOM 486 N LEU A 37 -4.811 5.204 -0.837 1.00 0.00 N ATOM 487 CA LEU A 37 -5.470 5.903 0.253 1.00 0.00 C ATOM 488 C LEU A 37 -5.737 7.351 -0.162 1.00 0.00 C ATOM 489 O LEU A 37 -6.843 7.859 0.017 1.00 0.00 O ATOM 490 CB LEU A 37 -4.657 5.773 1.542 1.00 0.00 C ATOM 491 CG LEU A 37 -4.938 4.531 2.390 1.00 0.00 C ATOM 492 CD1 LEU A 37 -3.856 4.337 3.454 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.339 4.590 3.002 1.00 0.00 C ATOM 0 H LEU A 37 -3.854 4.911 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.438 5.449 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.598 5.779 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.841 6.656 2.154 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.908 3.658 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.080 3.447 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.887 4.217 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.829 5.208 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.513 3.695 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.422 5.472 3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.082 4.645 2.206 1.00 0.00 H new ATOM 505 N SER A 38 -4.704 7.976 -0.709 1.00 0.00 N ATOM 506 CA SER A 38 -4.813 9.356 -1.151 1.00 0.00 C ATOM 507 C SER A 38 -5.760 9.449 -2.349 1.00 0.00 C ATOM 508 O SER A 38 -6.620 10.327 -2.398 1.00 0.00 O ATOM 509 CB SER A 38 -3.441 9.927 -1.515 1.00 0.00 C ATOM 510 OG SER A 38 -3.200 11.182 -0.883 1.00 0.00 O ATOM 0 H SER A 38 -3.788 7.552 -0.856 1.00 0.00 H new ATOM 0 HA SER A 38 -5.217 9.947 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.665 9.219 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.373 10.047 -2.596 1.00 0.00 H new ATOM 0 HG SER A 38 -2.314 11.512 -1.139 1.00 0.00 H new ATOM 516 N PHE A 39 -5.571 8.530 -3.285 1.00 0.00 N ATOM 517 CA PHE A 39 -6.399 8.497 -4.479 1.00 0.00 C ATOM 518 C PHE A 39 -7.871 8.730 -4.133 1.00 0.00 C ATOM 519 O PHE A 39 -8.539 9.547 -4.763 1.00 0.00 O ATOM 520 CB PHE A 39 -6.245 7.104 -5.092 1.00 0.00 C ATOM 521 CG PHE A 39 -5.096 6.988 -6.095 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.855 7.433 -5.762 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.316 6.441 -7.321 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.788 7.326 -6.693 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.249 6.334 -8.252 1.00 0.00 C ATOM 526 CZ PHE A 39 -3.008 6.779 -7.919 1.00 0.00 C ATOM 0 H PHE A 39 -4.857 7.803 -3.241 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.088 9.281 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.089 6.381 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.176 6.832 -5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.681 7.868 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.302 6.088 -7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.802 7.679 -6.428 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.423 5.899 -9.225 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.197 6.698 -8.628 1.00 0.00 H new ATOM 536 N GLY A 40 -8.333 7.995 -3.131 1.00 0.00 N ATOM 537 CA GLY A 40 -9.713 8.111 -2.693 1.00 0.00 C ATOM 538 C GLY A 40 -10.364 6.733 -2.562 1.00 0.00 C ATOM 539 O GLY A 40 -11.349 6.440 -3.238 1.00 0.00 O ATOM 0 H GLY A 40 -7.776 7.317 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.752 8.628 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.275 8.716 -3.405 1.00 0.00 H new ATOM 543 N PHE A 41 -9.788 5.923 -1.686 1.00 0.00 N ATOM 544 CA PHE A 41 -10.299 4.582 -1.457 1.00 0.00 C ATOM 545 C PHE A 41 -10.043 4.136 -0.016 1.00 0.00 C ATOM 546 O PHE A 41 -9.097 4.597 0.621 1.00 0.00 O ATOM 547 CB PHE A 41 -9.548 3.648 -2.408 1.00 0.00 C ATOM 548 CG PHE A 41 -9.539 4.119 -3.864 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.712 4.328 -4.519 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.357 4.329 -4.503 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.704 4.765 -5.870 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.348 4.766 -5.854 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.522 4.975 -6.509 1.00 0.00 C ATOM 0 H PHE A 41 -8.972 6.170 -1.126 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.375 4.560 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.519 3.546 -2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.000 2.657 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.651 4.162 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.425 4.163 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.636 4.931 -6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.409 4.932 -6.362 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.515 5.308 -7.536 1.00 0.00 H new ATOM 563 N ALA A 42 -10.903 3.245 0.456 1.00 0.00 N ATOM 564 CA ALA A 42 -10.782 2.732 1.810 1.00 0.00 C ATOM 565 C ALA A 42 -9.508 1.892 1.920 1.00 0.00 C ATOM 566 O ALA A 42 -9.172 1.144 1.002 1.00 0.00 O ATOM 567 CB ALA A 42 -12.038 1.936 2.168 1.00 0.00 C ATOM 0 H ALA A 42 -11.686 2.865 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.700 3.551 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.948 1.551 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.911 2.585 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.152 1.104 1.473 1.00 0.00 H new ATOM 573 N GLU A 43 -8.833 2.043 3.050 1.00 0.00 N ATOM 574 CA GLU A 43 -7.604 1.307 3.292 1.00 0.00 C ATOM 575 C GLU A 43 -7.815 -0.184 3.020 1.00 0.00 C ATOM 576 O GLU A 43 -6.870 -0.897 2.685 1.00 0.00 O ATOM 577 CB GLU A 43 -7.098 1.538 4.717 1.00 0.00 C ATOM 578 CG GLU A 43 -5.771 0.814 4.952 1.00 0.00 C ATOM 579 CD GLU A 43 -5.865 -0.127 6.156 1.00 0.00 C ATOM 580 OE1 GLU A 43 -6.617 0.222 7.091 1.00 0.00 O ATOM 581 OE2 GLU A 43 -5.182 -1.173 6.113 1.00 0.00 O ATOM 0 H GLU A 43 -9.114 2.664 3.808 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.842 1.677 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.970 2.606 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.841 1.185 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.500 0.246 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.979 1.544 5.117 1.00 0.00 H new ATOM 588 N ASP A 44 -9.060 -0.610 3.173 1.00 0.00 N ATOM 589 CA ASP A 44 -9.407 -2.003 2.948 1.00 0.00 C ATOM 590 C ASP A 44 -9.407 -2.288 1.445 1.00 0.00 C ATOM 591 O ASP A 44 -8.733 -3.208 0.983 1.00 0.00 O ATOM 592 CB ASP A 44 -10.803 -2.317 3.488 1.00 0.00 C ATOM 593 CG ASP A 44 -10.888 -3.559 4.378 1.00 0.00 C ATOM 594 OD1 ASP A 44 -10.149 -4.522 4.081 1.00 0.00 O ATOM 595 OD2 ASP A 44 -11.691 -3.517 5.336 1.00 0.00 O ATOM 0 H ASP A 44 -9.841 -0.015 3.450 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.673 -2.621 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.159 -1.457 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.482 -2.445 2.645 1.00 0.00 H new ATOM 600 N VAL A 45 -10.170 -1.481 0.722 1.00 0.00 N ATOM 601 CA VAL A 45 -10.267 -1.635 -0.720 1.00 0.00 C ATOM 602 C VAL A 45 -8.879 -1.458 -1.341 1.00 0.00 C ATOM 603 O VAL A 45 -8.557 -2.099 -2.340 1.00 0.00 O ATOM 604 CB VAL A 45 -11.302 -0.658 -1.282 1.00 0.00 C ATOM 605 CG1 VAL A 45 -11.018 -0.345 -2.752 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.721 -1.200 -1.101 1.00 0.00 C ATOM 0 H VAL A 45 -10.727 -0.718 1.108 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.613 -2.637 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.225 0.273 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.768 0.351 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.029 0.103 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.055 -1.266 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.438 -0.487 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.817 -2.151 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.921 -1.349 -0.040 1.00 0.00 H new ATOM 616 N ALA A 46 -8.096 -0.587 -0.723 1.00 0.00 N ATOM 617 CA ALA A 46 -6.751 -0.319 -1.203 1.00 0.00 C ATOM 618 C ALA A 46 -5.949 -1.622 -1.215 1.00 0.00 C ATOM 619 O ALA A 46 -5.136 -1.845 -2.111 1.00 0.00 O ATOM 620 CB ALA A 46 -6.102 0.757 -0.329 1.00 0.00 C ATOM 0 H ALA A 46 -8.367 -0.058 0.106 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.777 0.062 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.093 0.958 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.694 1.671 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.056 0.409 0.703 1.00 0.00 H new ATOM 626 N ARG A 47 -6.206 -2.447 -0.212 1.00 0.00 N ATOM 627 CA ARG A 47 -5.519 -3.722 -0.096 1.00 0.00 C ATOM 628 C ARG A 47 -6.192 -4.771 -0.984 1.00 0.00 C ATOM 629 O ARG A 47 -5.523 -5.644 -1.535 1.00 0.00 O ATOM 630 CB ARG A 47 -5.515 -4.217 1.351 1.00 0.00 C ATOM 631 CG ARG A 47 -4.133 -4.045 1.986 1.00 0.00 C ATOM 632 CD ARG A 47 -4.156 -4.439 3.464 1.00 0.00 C ATOM 633 NE ARG A 47 -2.853 -5.026 3.851 1.00 0.00 N ATOM 634 CZ ARG A 47 -1.787 -4.306 4.225 1.00 0.00 C ATOM 635 NH1 ARG A 47 -1.861 -2.969 4.264 1.00 0.00 N ATOM 636 NH2 ARG A 47 -0.645 -4.924 4.559 1.00 0.00 N ATOM 0 H ARG A 47 -6.881 -2.258 0.529 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.489 -3.573 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.256 -3.666 1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.804 -5.267 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.406 -4.658 1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.810 -3.009 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.367 -3.564 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.956 -5.157 3.645 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.761 -6.042 3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.729 -2.499 4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.049 -2.421 4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.588 -5.942 4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.167 -4.376 4.844 1.00 0.00 H new ATOM 650 N LYS A 48 -7.506 -4.649 -1.096 1.00 0.00 N ATOM 651 CA LYS A 48 -8.277 -5.576 -1.908 1.00 0.00 C ATOM 652 C LYS A 48 -7.878 -5.415 -3.376 1.00 0.00 C ATOM 653 O LYS A 48 -7.689 -6.403 -4.084 1.00 0.00 O ATOM 654 CB LYS A 48 -9.775 -5.392 -1.654 1.00 0.00 C ATOM 655 CG LYS A 48 -10.129 -5.719 -0.202 1.00 0.00 C ATOM 656 CD LYS A 48 -11.506 -6.380 -0.110 1.00 0.00 C ATOM 657 CE LYS A 48 -12.597 -5.340 0.150 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.896 -5.806 -0.385 1.00 0.00 N ATOM 0 H LYS A 48 -8.057 -3.923 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.053 -6.605 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.062 -4.365 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.343 -6.037 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.374 -6.382 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.119 -4.806 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.720 -6.913 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.506 -7.120 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.683 -5.155 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.324 -4.393 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.625 -5.088 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.814 -5.960 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.163 -6.698 0.079 1.00 0.00 H new ATOM 672 N ALA A 49 -7.760 -4.161 -3.790 1.00 0.00 N ATOM 673 CA ALA A 49 -7.386 -3.858 -5.161 1.00 0.00 C ATOM 674 C ALA A 49 -5.972 -4.379 -5.427 1.00 0.00 C ATOM 675 O ALA A 49 -5.704 -4.946 -6.485 1.00 0.00 O ATOM 676 CB ALA A 49 -7.508 -2.352 -5.403 1.00 0.00 C ATOM 0 H ALA A 49 -7.917 -3.344 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.057 -4.356 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.227 -2.125 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.537 -2.038 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.846 -1.819 -4.720 1.00 0.00 H new ATOM 682 N LEU A 50 -5.105 -4.168 -4.448 1.00 0.00 N ATOM 683 CA LEU A 50 -3.725 -4.608 -4.563 1.00 0.00 C ATOM 684 C LEU A 50 -3.662 -6.127 -4.384 1.00 0.00 C ATOM 685 O LEU A 50 -2.638 -6.747 -4.665 1.00 0.00 O ATOM 686 CB LEU A 50 -2.833 -3.837 -3.587 1.00 0.00 C ATOM 687 CG LEU A 50 -2.845 -2.314 -3.729 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.387 -1.639 -2.435 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.012 -1.869 -4.933 1.00 0.00 C ATOM 0 H LEU A 50 -5.331 -3.698 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.337 -4.387 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.136 -4.090 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.808 -4.186 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.871 -1.996 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.405 -0.557 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.057 -1.919 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.373 -1.959 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.037 -0.782 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.981 -2.200 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.423 -2.308 -5.842 1.00 0.00 H new ATOM 701 N LYS A 51 -4.771 -6.681 -3.917 1.00 0.00 N ATOM 702 CA LYS A 51 -4.855 -8.115 -3.697 1.00 0.00 C ATOM 703 C LYS A 51 -5.356 -8.794 -4.973 1.00 0.00 C ATOM 704 O LYS A 51 -4.933 -9.903 -5.298 1.00 0.00 O ATOM 705 CB LYS A 51 -5.709 -8.419 -2.464 1.00 0.00 C ATOM 706 CG LYS A 51 -6.367 -9.795 -2.579 1.00 0.00 C ATOM 707 CD LYS A 51 -6.726 -10.349 -1.198 1.00 0.00 C ATOM 708 CE LYS A 51 -5.503 -10.975 -0.524 1.00 0.00 C ATOM 709 NZ LYS A 51 -5.691 -11.029 0.943 1.00 0.00 N ATOM 0 H LYS A 51 -5.619 -6.163 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.868 -8.525 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.088 -8.383 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.476 -7.653 -2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.266 -9.722 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.692 -10.484 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.121 -9.548 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.514 -11.096 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.341 -11.980 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.612 -10.394 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.852 -11.456 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.824 -10.066 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.529 -11.603 1.165 1.00 0.00 H new ATOM 723 N ALA A 52 -6.249 -8.100 -5.663 1.00 0.00 N ATOM 724 CA ALA A 52 -6.812 -8.622 -6.897 1.00 0.00 C ATOM 725 C ALA A 52 -6.055 -8.030 -8.088 1.00 0.00 C ATOM 726 O ALA A 52 -6.568 -8.009 -9.206 1.00 0.00 O ATOM 727 CB ALA A 52 -8.309 -8.313 -6.946 1.00 0.00 C ATOM 0 H ALA A 52 -6.597 -7.180 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.701 -9.705 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.731 -8.704 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.805 -8.780 -6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.459 -7.234 -6.907 1.00 0.00 H new ATOM 733 N SER A 53 -4.847 -7.564 -7.808 1.00 0.00 N ATOM 734 CA SER A 53 -4.014 -6.973 -8.842 1.00 0.00 C ATOM 735 C SER A 53 -2.550 -7.351 -8.614 1.00 0.00 C ATOM 736 O SER A 53 -1.883 -7.841 -9.524 1.00 0.00 O ATOM 737 CB SER A 53 -4.171 -5.451 -8.873 1.00 0.00 C ATOM 738 OG SER A 53 -3.641 -4.836 -7.702 1.00 0.00 O ATOM 0 H SER A 53 -4.425 -7.584 -6.880 1.00 0.00 H new ATOM 0 HA SER A 53 -4.337 -7.364 -9.807 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.665 -5.052 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.227 -5.197 -8.970 1.00 0.00 H new ATOM 0 HG SER A 53 -4.369 -4.423 -7.191 1.00 0.00 H new ATOM 744 N GLY A 54 -2.092 -7.109 -7.395 1.00 0.00 N ATOM 745 CA GLY A 54 -0.718 -7.418 -7.036 1.00 0.00 C ATOM 746 C GLY A 54 0.205 -6.233 -7.328 1.00 0.00 C ATOM 747 O GLY A 54 0.654 -6.056 -8.459 1.00 0.00 O ATOM 0 H GLY A 54 -2.648 -6.702 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.664 -7.674 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.381 -8.292 -7.593 1.00 0.00 H new ATOM 751 N GLY A 55 0.459 -5.453 -6.288 1.00 0.00 N ATOM 752 CA GLY A 55 1.320 -4.290 -6.419 1.00 0.00 C ATOM 753 C GLY A 55 1.102 -3.594 -7.763 1.00 0.00 C ATOM 754 O GLY A 55 2.053 -3.354 -8.505 1.00 0.00 O ATOM 0 H GLY A 55 0.084 -5.603 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.119 -3.591 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.363 -4.593 -6.328 1.00 0.00 H new ATOM 758 N ASP A 56 -0.158 -3.288 -8.037 1.00 0.00 N ATOM 759 CA ASP A 56 -0.514 -2.625 -9.280 1.00 0.00 C ATOM 760 C ASP A 56 -1.601 -1.584 -9.004 1.00 0.00 C ATOM 761 O ASP A 56 -2.790 -1.900 -9.034 1.00 0.00 O ATOM 762 CB ASP A 56 -1.065 -3.623 -10.300 1.00 0.00 C ATOM 763 CG ASP A 56 -0.031 -4.592 -10.878 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.170 -4.364 -10.616 1.00 0.00 O ATOM 765 OD2 ASP A 56 -0.465 -5.539 -11.570 1.00 0.00 O ATOM 0 H ASP A 56 -0.945 -3.487 -7.419 1.00 0.00 H new ATOM 0 HA ASP A 56 0.385 -2.158 -9.682 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.859 -4.201 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.520 -3.068 -11.121 1.00 0.00 H new ATOM 770 N ILE A 57 -1.155 -0.364 -8.741 1.00 0.00 N ATOM 771 CA ILE A 57 -2.075 0.725 -8.460 1.00 0.00 C ATOM 772 C ILE A 57 -2.967 0.961 -9.680 1.00 0.00 C ATOM 773 O ILE A 57 -4.175 1.150 -9.544 1.00 0.00 O ATOM 774 CB ILE A 57 -1.309 1.969 -8.007 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.460 1.671 -6.770 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.261 3.146 -7.780 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.302 1.753 -5.495 1.00 0.00 C ATOM 0 H ILE A 57 -0.169 -0.106 -8.717 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.733 0.465 -7.631 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.624 2.258 -8.804 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.021 0.677 -6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.365 2.380 -6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.691 4.018 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.783 3.376 -8.709 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.987 2.883 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.675 1.537 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.720 2.755 -5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.112 1.025 -5.546 1.00 0.00 H new ATOM 789 N GLU A 58 -2.337 0.944 -10.846 1.00 0.00 N ATOM 790 CA GLU A 58 -3.058 1.154 -12.090 1.00 0.00 C ATOM 791 C GLU A 58 -4.251 0.200 -12.179 1.00 0.00 C ATOM 792 O GLU A 58 -5.373 0.626 -12.448 1.00 0.00 O ATOM 793 CB GLU A 58 -2.132 0.989 -13.296 1.00 0.00 C ATOM 794 CG GLU A 58 -1.642 2.347 -13.801 1.00 0.00 C ATOM 795 CD GLU A 58 -1.979 2.536 -15.281 1.00 0.00 C ATOM 796 OE1 GLU A 58 -1.612 1.635 -16.067 1.00 0.00 O ATOM 797 OE2 GLU A 58 -2.598 3.576 -15.594 1.00 0.00 O ATOM 0 H GLU A 58 -1.335 0.788 -10.955 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.434 2.177 -12.101 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.278 0.370 -13.021 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.659 0.468 -14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.101 3.144 -13.215 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.564 2.425 -13.657 1.00 0.00 H new ATOM 804 N LYS A 59 -3.968 -1.074 -11.949 1.00 0.00 N ATOM 805 CA LYS A 59 -5.003 -2.092 -12.000 1.00 0.00 C ATOM 806 C LYS A 59 -5.879 -1.987 -10.750 1.00 0.00 C ATOM 807 O LYS A 59 -7.103 -2.071 -10.836 1.00 0.00 O ATOM 808 CB LYS A 59 -4.383 -3.476 -12.203 1.00 0.00 C ATOM 809 CG LYS A 59 -4.084 -3.732 -13.681 1.00 0.00 C ATOM 810 CD LYS A 59 -2.687 -4.329 -13.862 1.00 0.00 C ATOM 811 CE LYS A 59 -2.145 -4.041 -15.263 1.00 0.00 C ATOM 812 NZ LYS A 59 -0.747 -3.559 -15.190 1.00 0.00 N ATOM 0 H LYS A 59 -3.036 -1.424 -11.727 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.654 -1.931 -12.859 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.463 -3.555 -11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.063 -4.241 -11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.830 -4.411 -14.094 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.159 -2.798 -14.238 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.011 -3.914 -13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.724 -5.406 -13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.193 -4.945 -15.871 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.768 -3.294 -15.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.395 -3.368 -16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.710 -2.685 -14.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.153 -4.285 -14.741 1.00 0.00 H new ATOM 826 N ALA A 60 -5.217 -1.804 -9.617 1.00 0.00 N ATOM 827 CA ALA A 60 -5.919 -1.686 -8.351 1.00 0.00 C ATOM 828 C ALA A 60 -6.957 -0.566 -8.450 1.00 0.00 C ATOM 829 O ALA A 60 -8.075 -0.705 -7.957 1.00 0.00 O ATOM 830 CB ALA A 60 -4.910 -1.448 -7.226 1.00 0.00 C ATOM 0 H ALA A 60 -4.202 -1.735 -9.550 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.451 -2.609 -8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.438 -1.360 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.214 -2.286 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.358 -0.529 -7.421 1.00 0.00 H new ATOM 836 N THR A 61 -6.548 0.520 -9.091 1.00 0.00 N ATOM 837 CA THR A 61 -7.428 1.663 -9.261 1.00 0.00 C ATOM 838 C THR A 61 -8.674 1.264 -10.054 1.00 0.00 C ATOM 839 O THR A 61 -9.771 1.750 -9.780 1.00 0.00 O ATOM 840 CB THR A 61 -6.623 2.785 -9.919 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.601 3.082 -8.971 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.417 4.088 -10.031 1.00 0.00 C ATOM 0 H THR A 61 -5.620 0.632 -9.498 1.00 0.00 H new ATOM 0 HA THR A 61 -7.795 2.026 -8.301 1.00 0.00 H new ATOM 0 HB THR A 61 -6.304 2.468 -10.912 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.765 2.650 -9.245 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.799 4.851 -10.505 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.310 3.919 -10.632 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.708 4.424 -9.036 1.00 0.00 H new ATOM 850 N ASP A 62 -8.464 0.383 -11.021 1.00 0.00 N ATOM 851 CA ASP A 62 -9.557 -0.087 -11.856 1.00 0.00 C ATOM 852 C ASP A 62 -10.390 -1.104 -11.073 1.00 0.00 C ATOM 853 O ASP A 62 -11.616 -1.014 -11.041 1.00 0.00 O ATOM 854 CB ASP A 62 -9.030 -0.777 -13.116 1.00 0.00 C ATOM 855 CG ASP A 62 -10.076 -1.018 -14.206 1.00 0.00 C ATOM 856 OD1 ASP A 62 -11.125 -0.340 -14.146 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.804 -1.875 -15.074 1.00 0.00 O ATOM 0 H ASP A 62 -7.553 -0.018 -11.245 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.158 0.776 -12.142 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.225 -0.172 -13.533 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.595 -1.735 -12.832 1.00 0.00 H new ATOM 862 N TRP A 63 -9.690 -2.048 -10.461 1.00 0.00 N ATOM 863 CA TRP A 63 -10.350 -3.081 -9.680 1.00 0.00 C ATOM 864 C TRP A 63 -11.429 -2.412 -8.826 1.00 0.00 C ATOM 865 O TRP A 63 -12.580 -2.846 -8.822 1.00 0.00 O ATOM 866 CB TRP A 63 -9.337 -3.872 -8.851 1.00 0.00 C ATOM 867 CG TRP A 63 -9.954 -5.008 -8.032 1.00 0.00 C ATOM 868 CD1 TRP A 63 -10.122 -6.288 -8.392 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.482 -4.913 -6.692 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.718 -7.022 -7.386 1.00 0.00 N ATOM 871 CE2 TRP A 63 -10.943 -6.159 -6.320 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.567 -3.810 -5.824 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.522 -6.421 -5.072 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.148 -4.088 -4.581 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.617 -5.337 -4.190 1.00 0.00 C ATOM 0 H TRP A 63 -8.673 -2.119 -10.490 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.827 -3.812 -10.333 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.582 -4.288 -9.519 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.823 -3.188 -8.175 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.828 -6.694 -9.349 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.950 -8.015 -7.419 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.212 -2.827 -6.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.876 -7.406 -4.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.238 -3.275 -3.876 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.053 -5.471 -3.211 1.00 0.00 H new ATOM 886 N VAL A 64 -11.018 -1.365 -8.124 1.00 0.00 N ATOM 887 CA VAL A 64 -11.935 -0.632 -7.269 1.00 0.00 C ATOM 888 C VAL A 64 -13.241 -0.379 -8.026 1.00 0.00 C ATOM 889 O VAL A 64 -14.325 -0.631 -7.503 1.00 0.00 O ATOM 890 CB VAL A 64 -11.273 0.654 -6.772 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.238 1.471 -5.911 1.00 0.00 C ATOM 892 CG2 VAL A 64 -9.983 0.347 -6.009 1.00 0.00 C ATOM 0 H VAL A 64 -10.063 -1.008 -8.130 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.181 -1.218 -6.383 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.012 1.254 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.742 2.380 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.116 1.736 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.545 0.880 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.532 1.279 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.210 -0.284 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.286 -0.173 -6.667 1.00 0.00 H new ATOM 902 N PHE A 65 -13.093 0.117 -9.246 1.00 0.00 N ATOM 903 CA PHE A 65 -14.246 0.407 -10.080 1.00 0.00 C ATOM 904 C PHE A 65 -14.857 -0.880 -10.638 1.00 0.00 C ATOM 905 O PHE A 65 -16.044 -1.140 -10.449 1.00 0.00 O ATOM 906 CB PHE A 65 -13.751 1.269 -11.243 1.00 0.00 C ATOM 907 CG PHE A 65 -12.683 2.291 -10.850 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.741 2.902 -9.636 1.00 0.00 C ATOM 909 CD2 PHE A 65 -11.677 2.590 -11.714 1.00 0.00 C ATOM 910 CE1 PHE A 65 -11.749 3.851 -9.271 1.00 0.00 C ATOM 911 CE2 PHE A 65 -10.685 3.539 -11.349 1.00 0.00 C ATOM 912 CZ PHE A 65 -10.743 4.149 -10.135 1.00 0.00 C ATOM 0 H PHE A 65 -12.192 0.325 -9.676 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.011 0.916 -9.493 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.348 0.618 -12.019 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.600 1.796 -11.679 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.541 2.666 -8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.632 2.106 -12.678 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.794 4.336 -8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.885 3.776 -12.035 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.989 4.871 -9.857 1.00 0.00 H new ATOM 922 N ASN A 66 -14.018 -1.650 -11.315 1.00 0.00 N ATOM 923 CA ASN A 66 -14.461 -2.904 -11.902 1.00 0.00 C ATOM 924 C ASN A 66 -15.403 -3.613 -10.928 1.00 0.00 C ATOM 925 O ASN A 66 -16.548 -3.906 -11.269 1.00 0.00 O ATOM 926 CB ASN A 66 -13.276 -3.833 -12.175 1.00 0.00 C ATOM 927 CG ASN A 66 -12.646 -3.532 -13.536 1.00 0.00 C ATOM 928 OD1 ASN A 66 -13.322 -3.320 -14.529 1.00 0.00 O ATOM 929 ND2 ASN A 66 -11.316 -3.525 -13.527 1.00 0.00 N ATOM 0 H ASN A 66 -13.034 -1.430 -11.470 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.965 -2.677 -12.841 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.529 -3.715 -11.390 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.608 -4.871 -12.146 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.801 -3.334 -14.387 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.811 -3.711 -12.660 1.00 0.00 H new ATOM 936 N ASN A 67 -14.887 -3.869 -9.735 1.00 0.00 N ATOM 937 CA ASN A 67 -15.668 -4.539 -8.709 1.00 0.00 C ATOM 938 C ASN A 67 -15.099 -4.191 -7.332 1.00 0.00 C ATOM 939 O ASN A 67 -13.891 -4.009 -7.183 1.00 0.00 O ATOM 940 CB ASN A 67 -15.608 -6.058 -8.875 1.00 0.00 C ATOM 941 CG ASN A 67 -14.222 -6.596 -8.511 1.00 0.00 C ATOM 942 OD1 ASN A 67 -14.033 -7.271 -7.513 1.00 0.00 O ATOM 943 ND2 ASN A 67 -13.268 -6.259 -9.374 1.00 0.00 N ATOM 0 H ASN A 67 -13.937 -3.624 -9.456 1.00 0.00 H new ATOM 0 HA ASN A 67 -16.702 -4.207 -8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.362 -6.526 -8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.846 -6.324 -9.905 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.308 -6.569 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.496 -5.691 -10.190 1.00 0.00 H new ATOM 950 N SER A 68 -15.995 -4.108 -6.360 1.00 0.00 N ATOM 951 CA SER A 68 -15.597 -3.785 -5.000 1.00 0.00 C ATOM 952 C SER A 68 -16.724 -4.138 -4.028 1.00 0.00 C ATOM 953 O SER A 68 -17.879 -3.777 -4.252 1.00 0.00 O ATOM 954 CB SER A 68 -15.228 -2.306 -4.871 1.00 0.00 C ATOM 955 OG SER A 68 -16.345 -1.454 -5.111 1.00 0.00 O ATOM 0 H SER A 68 -16.996 -4.259 -6.487 1.00 0.00 H new ATOM 0 HA SER A 68 -14.714 -4.374 -4.752 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.835 -2.116 -3.872 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.432 -2.068 -5.577 1.00 0.00 H new ATOM 0 HG SER A 68 -16.069 -0.518 -5.018 1.00 0.00 H new ATOM 961 N GLY A 69 -16.350 -4.839 -2.967 1.00 0.00 N ATOM 962 CA GLY A 69 -17.315 -5.244 -1.959 1.00 0.00 C ATOM 963 C GLY A 69 -17.373 -4.229 -0.816 1.00 0.00 C ATOM 964 O GLY A 69 -16.423 -3.479 -0.598 1.00 0.00 O ATOM 0 H GLY A 69 -15.392 -5.137 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -18.301 -5.342 -2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.046 -6.224 -1.566 1.00 0.00 H new ATOM 968 N PRO A 70 -18.528 -4.238 -0.098 1.00 0.00 N ATOM 969 CA PRO A 70 -18.723 -3.327 1.017 1.00 0.00 C ATOM 970 C PRO A 70 -17.919 -3.776 2.239 1.00 0.00 C ATOM 971 O PRO A 70 -18.185 -4.835 2.806 1.00 0.00 O ATOM 972 CB PRO A 70 -20.223 -3.320 1.263 1.00 0.00 C ATOM 973 CG PRO A 70 -20.761 -4.572 0.589 1.00 0.00 C ATOM 974 CD PRO A 70 -19.675 -5.112 -0.328 1.00 0.00 C ATOM 0 HA PRO A 70 -18.363 -2.320 0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -20.444 -3.325 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -20.683 -2.424 0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.037 -5.318 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -21.662 -4.342 0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -19.436 -6.149 -0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.989 -5.087 -1.371 1.00 0.00 H new ATOM 982 N SER A 71 -16.952 -2.949 2.608 1.00 0.00 N ATOM 983 CA SER A 71 -16.108 -3.248 3.752 1.00 0.00 C ATOM 984 C SER A 71 -16.503 -2.367 4.939 1.00 0.00 C ATOM 985 O SER A 71 -16.873 -2.874 5.997 1.00 0.00 O ATOM 986 CB SER A 71 -14.629 -3.049 3.413 1.00 0.00 C ATOM 987 OG SER A 71 -13.792 -3.961 4.118 1.00 0.00 O ATOM 0 H SER A 71 -16.734 -2.072 2.135 1.00 0.00 H new ATOM 0 HA SER A 71 -16.254 -4.294 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.483 -3.177 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.336 -2.027 3.655 1.00 0.00 H new ATOM 0 HG SER A 71 -13.357 -3.496 4.863 1.00 0.00 H new ATOM 993 N SER A 72 -16.412 -1.063 4.723 1.00 0.00 N ATOM 994 CA SER A 72 -16.756 -0.107 5.762 1.00 0.00 C ATOM 995 C SER A 72 -17.997 0.687 5.352 1.00 0.00 C ATOM 996 O SER A 72 -18.002 1.347 4.313 1.00 0.00 O ATOM 997 CB SER A 72 -15.589 0.841 6.046 1.00 0.00 C ATOM 998 OG SER A 72 -15.167 1.534 4.874 1.00 0.00 O ATOM 0 H SER A 72 -16.105 -0.646 3.844 1.00 0.00 H new ATOM 0 HA SER A 72 -16.972 -0.659 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.885 1.563 6.807 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.752 0.274 6.453 1.00 0.00 H new ATOM 0 HG SER A 72 -15.933 1.663 4.276 1.00 0.00 H new ATOM 1004 N GLY A 73 -19.021 0.598 6.188 1.00 0.00 N ATOM 1005 CA GLY A 73 -20.265 1.301 5.926 1.00 0.00 C ATOM 1006 C GLY A 73 -21.370 0.832 6.874 1.00 0.00 C ATOM 1007 O GLY A 73 -21.342 1.137 8.066 1.00 0.00 O ATOM 0 H GLY A 73 -19.014 0.049 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.112 2.374 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.571 1.133 4.893 1.00 0.00 H new TER 1011 GLY A 73