USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ -151:sc= 1.06 (180deg=0.749) USER MOD Set 1.2: A 112 SER OG : rot -170:sc= 0.858 USER MOD Set 2.1: A 56 GLN : amide:sc= 0.689 K(o=0.97,f=-0.11) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.284 K(o=0.97,f=-0.11) USER MOD Set 3.1: A 33 THR OG1 : rot 180:sc= -0.0244 USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 THR OG1 : rot -144:sc= 2.04 USER MOD Set 4.2: A 31 SER OG : rot 180:sc= 1.01 USER MOD Set 5.1: A 25 THR OG1 : rot -134:sc= 0.534 USER MOD Set 5.2: A 35 SER OG : rot 71:sc= -0.528 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.178 (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= 0.0484 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -170:sc= -0.0249 USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -0.11 (180deg=-0.564) USER MOD Single : A 23 GLN : amide:sc= -0.0975 X(o=-0.098,f=-0.11) USER MOD Single : A 30 ASN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00637 USER MOD Single : A 43 THR OG1 : rot -161:sc= -0.262 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 165:sc= -0.0648 USER MOD Single : A 55 SER OG : rot -141:sc= 0.335 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0937 USER MOD Single : A 67 ASN : amide:sc= -0.403 K(o=-0.4,f=-1) USER MOD Single : A 68 HIS : no HD1:sc= -0.0615 X(o=-0.062,f=-0.00058) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -122:sc= 1.44 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 85 TYR OH : rot 168:sc= 0 USER MOD Single : A 88 MET CE :methyl -136:sc= 0 (180deg=-0.921) USER MOD Single : A 93 ASN : amide:sc= -6.9! C(o=-6.9!,f=-6.1!) USER MOD Single : A 95 GLN : amide:sc= -0.345 K(o=-0.34,f=-2.6!) USER MOD Single : A 98 SER OG : rot 74:sc= 1.38 USER MOD Single : A 101 SER OG : rot 78:sc= 1.6 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 69:sc= 0.936 USER MOD Single : A 109 THR OG1 : rot -175:sc= 1.91 USER MOD Single : A 110 GLN : amide:sc= 0.96 K(o=0.96,f=-0.12) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.206 -1.853 18.841 1.00 0.00 N ATOM 2 CA GLY A 1 31.202 -2.027 17.379 1.00 0.00 C ATOM 3 C GLY A 1 32.540 -2.595 16.947 1.00 0.00 C ATOM 4 O GLY A 1 33.281 -3.081 17.800 1.00 0.00 O ATOM 0 H1 GLY A 1 30.395 -2.357 19.253 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.088 -2.238 19.234 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.138 -0.841 19.070 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.395 -2.696 17.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.022 -1.072 16.886 1.00 0.00 H new ATOM 8 N SER A 2 32.853 -2.512 15.657 1.00 0.00 N ATOM 9 CA SER A 2 34.152 -2.875 15.104 1.00 0.00 C ATOM 10 C SER A 2 34.388 -1.870 13.982 1.00 0.00 C ATOM 11 O SER A 2 35.112 -0.899 14.176 1.00 0.00 O ATOM 12 CB SER A 2 34.174 -4.347 14.654 1.00 0.00 C ATOM 13 OG SER A 2 33.614 -5.188 15.648 1.00 0.00 O ATOM 0 H SER A 2 32.194 -2.183 14.951 1.00 0.00 H new ATOM 0 HA SER A 2 34.962 -2.821 15.832 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.616 -4.455 13.724 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.200 -4.653 14.448 1.00 0.00 H new ATOM 0 HG SER A 2 33.637 -6.118 15.340 1.00 0.00 H new ATOM 19 N SER A 3 33.635 -1.992 12.885 1.00 0.00 N ATOM 20 CA SER A 3 33.269 -0.830 12.089 1.00 0.00 C ATOM 21 C SER A 3 32.367 0.094 12.927 1.00 0.00 C ATOM 22 O SER A 3 31.811 -0.323 13.954 1.00 0.00 O ATOM 23 CB SER A 3 32.543 -1.296 10.820 1.00 0.00 C ATOM 24 OG SER A 3 33.206 -2.400 10.226 1.00 0.00 O ATOM 0 H SER A 3 33.272 -2.879 12.535 1.00 0.00 H new ATOM 0 HA SER A 3 34.161 -0.276 11.797 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.518 -1.573 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.489 -0.474 10.106 1.00 0.00 H new ATOM 0 HG SER A 3 32.722 -2.678 9.421 1.00 0.00 H new ATOM 30 N GLY A 4 32.195 1.328 12.452 1.00 0.00 N ATOM 31 CA GLY A 4 31.240 2.302 12.961 1.00 0.00 C ATOM 32 C GLY A 4 30.091 2.479 11.968 1.00 0.00 C ATOM 33 O GLY A 4 29.881 1.623 11.105 1.00 0.00 O ATOM 0 H GLY A 4 32.742 1.687 11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.851 1.972 13.924 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.737 3.258 13.128 1.00 0.00 H new ATOM 37 N SER A 5 29.379 3.603 12.108 1.00 0.00 N ATOM 38 CA SER A 5 28.116 3.936 11.444 1.00 0.00 C ATOM 39 C SER A 5 26.949 3.148 12.057 1.00 0.00 C ATOM 40 O SER A 5 27.137 2.375 13.000 1.00 0.00 O ATOM 41 CB SER A 5 28.202 3.776 9.913 1.00 0.00 C ATOM 42 OG SER A 5 29.343 4.425 9.372 1.00 0.00 O ATOM 0 H SER A 5 29.690 4.351 12.728 1.00 0.00 H new ATOM 0 HA SER A 5 27.918 4.993 11.620 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.235 2.716 9.661 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.301 4.185 9.455 1.00 0.00 H new ATOM 0 HG SER A 5 29.361 4.298 8.400 1.00 0.00 H new ATOM 48 N SER A 6 25.737 3.395 11.561 1.00 0.00 N ATOM 49 CA SER A 6 24.513 2.756 12.011 1.00 0.00 C ATOM 50 C SER A 6 24.585 1.239 11.827 1.00 0.00 C ATOM 51 O SER A 6 25.250 0.744 10.912 1.00 0.00 O ATOM 52 CB SER A 6 23.342 3.321 11.189 1.00 0.00 C ATOM 53 OG SER A 6 23.477 4.720 11.002 1.00 0.00 O ATOM 0 H SER A 6 25.581 4.068 10.811 1.00 0.00 H new ATOM 0 HA SER A 6 24.371 2.959 13.073 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.301 2.824 10.220 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.401 3.108 11.697 1.00 0.00 H new ATOM 0 HG SER A 6 22.721 5.054 10.475 1.00 0.00 H new ATOM 59 N GLY A 7 23.795 0.505 12.614 1.00 0.00 N ATOM 60 CA GLY A 7 23.307 -0.798 12.190 1.00 0.00 C ATOM 61 C GLY A 7 22.469 -0.554 10.943 1.00 0.00 C ATOM 62 O GLY A 7 21.499 0.201 11.007 1.00 0.00 O ATOM 0 H GLY A 7 23.484 0.793 13.542 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.136 -1.473 11.976 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.711 -1.264 12.974 1.00 0.00 H new ATOM 66 N LYS A 8 22.888 -1.075 9.790 1.00 0.00 N ATOM 67 CA LYS A 8 22.237 -0.834 8.497 1.00 0.00 C ATOM 68 C LYS A 8 21.052 -1.791 8.347 1.00 0.00 C ATOM 69 O LYS A 8 20.984 -2.570 7.396 1.00 0.00 O ATOM 70 CB LYS A 8 23.263 -0.964 7.357 1.00 0.00 C ATOM 71 CG LYS A 8 24.414 0.043 7.511 1.00 0.00 C ATOM 72 CD LYS A 8 25.446 -0.094 6.389 1.00 0.00 C ATOM 73 CE LYS A 8 26.597 0.883 6.663 1.00 0.00 C ATOM 74 NZ LYS A 8 27.662 0.788 5.638 1.00 0.00 N ATOM 0 H LYS A 8 23.702 -1.686 9.724 1.00 0.00 H new ATOM 0 HA LYS A 8 21.846 0.182 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.665 -1.977 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.766 -0.805 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.012 1.056 7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.902 -0.108 8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 8 25.820 -1.117 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.987 0.122 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.209 1.901 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 8 27.021 0.677 7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 28.420 1.465 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 28.051 -0.177 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 27.264 1.009 4.703 1.00 0.00 H new ATOM 88 N ASN A 9 20.189 -1.806 9.362 1.00 0.00 N ATOM 89 CA ASN A 9 19.097 -2.749 9.530 1.00 0.00 C ATOM 90 C ASN A 9 17.969 -2.319 8.601 1.00 0.00 C ATOM 91 O ASN A 9 17.002 -1.685 9.030 1.00 0.00 O ATOM 92 CB ASN A 9 18.668 -2.798 11.006 1.00 0.00 C ATOM 93 CG ASN A 9 19.725 -3.473 11.873 1.00 0.00 C ATOM 94 OD1 ASN A 9 20.842 -2.982 12.009 1.00 0.00 O ATOM 95 ND2 ASN A 9 19.421 -4.619 12.453 1.00 0.00 N ATOM 0 H ASN A 9 20.239 -1.127 10.122 1.00 0.00 H new ATOM 0 HA ASN A 9 19.399 -3.763 9.266 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.491 -1.785 11.368 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.725 -3.337 11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 9 20.117 -5.104 13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.490 -5.019 12.335 1.00 0.00 H new ATOM 102 N TYR A 10 18.126 -2.638 7.313 1.00 0.00 N ATOM 103 CA TYR A 10 17.475 -2.004 6.176 1.00 0.00 C ATOM 104 C TYR A 10 17.727 -0.492 6.166 1.00 0.00 C ATOM 105 O TYR A 10 18.484 0.031 6.988 1.00 0.00 O ATOM 106 CB TYR A 10 15.998 -2.395 6.128 1.00 0.00 C ATOM 107 CG TYR A 10 15.778 -3.892 6.173 1.00 0.00 C ATOM 108 CD1 TYR A 10 15.923 -4.661 5.007 1.00 0.00 C ATOM 109 CD2 TYR A 10 15.492 -4.523 7.396 1.00 0.00 C ATOM 110 CE1 TYR A 10 15.777 -6.056 5.063 1.00 0.00 C ATOM 111 CE2 TYR A 10 15.369 -5.918 7.468 1.00 0.00 C ATOM 112 CZ TYR A 10 15.509 -6.692 6.298 1.00 0.00 C ATOM 113 OH TYR A 10 15.412 -8.045 6.376 1.00 0.00 O ATOM 0 H TYR A 10 18.750 -3.392 7.025 1.00 0.00 H new ATOM 0 HA TYR A 10 17.917 -2.372 5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 10 15.478 -1.932 6.967 1.00 0.00 H new ATOM 0 HB3 TYR A 10 15.552 -1.995 5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 10 16.147 -4.179 4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 10 15.366 -3.928 8.288 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.869 -6.645 4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 10 15.168 -6.397 8.415 1.00 0.00 H new ATOM 0 HH TYR A 10 15.225 -8.307 7.302 1.00 0.00 H new ATOM 123 N ASP A 11 17.168 0.209 5.184 1.00 0.00 N ATOM 124 CA ASP A 11 17.191 1.665 5.046 1.00 0.00 C ATOM 125 C ASP A 11 16.224 2.037 3.916 1.00 0.00 C ATOM 126 O ASP A 11 15.607 1.121 3.365 1.00 0.00 O ATOM 127 CB ASP A 11 18.615 2.157 4.727 1.00 0.00 C ATOM 128 CG ASP A 11 18.990 3.386 5.547 1.00 0.00 C ATOM 129 OD1 ASP A 11 18.094 4.177 5.907 1.00 0.00 O ATOM 130 OD2 ASP A 11 20.197 3.536 5.862 1.00 0.00 O ATOM 0 H ASP A 11 16.661 -0.244 4.424 1.00 0.00 H new ATOM 0 HA ASP A 11 16.886 2.140 5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.328 1.357 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.688 2.393 3.665 1.00 0.00 H new ATOM 135 N LEU A 12 16.115 3.330 3.562 1.00 0.00 N ATOM 136 CA LEU A 12 15.606 3.907 2.319 1.00 0.00 C ATOM 137 C LEU A 12 14.792 2.919 1.481 1.00 0.00 C ATOM 138 O LEU A 12 15.286 2.362 0.502 1.00 0.00 O ATOM 139 CB LEU A 12 16.773 4.501 1.501 1.00 0.00 C ATOM 140 CG LEU A 12 17.223 5.911 1.924 1.00 0.00 C ATOM 141 CD1 LEU A 12 18.084 5.931 3.188 1.00 0.00 C ATOM 142 CD2 LEU A 12 18.004 6.565 0.780 1.00 0.00 C ATOM 0 H LEU A 12 16.412 4.063 4.207 1.00 0.00 H new ATOM 0 HA LEU A 12 14.913 4.702 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.627 3.828 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.481 4.531 0.451 1.00 0.00 H new ATOM 0 HG LEU A 12 16.313 6.466 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.362 6.959 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.520 5.509 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.985 5.340 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.322 7.563 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 12 18.880 5.960 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.366 6.637 -0.101 1.00 0.00 H new ATOM 154 N SER A 13 13.535 2.716 1.869 1.00 0.00 N ATOM 155 CA SER A 13 12.596 1.847 1.185 1.00 0.00 C ATOM 156 C SER A 13 12.554 2.137 -0.315 1.00 0.00 C ATOM 157 O SER A 13 12.363 3.285 -0.729 1.00 0.00 O ATOM 158 CB SER A 13 11.211 2.053 1.791 1.00 0.00 C ATOM 159 OG SER A 13 10.992 1.178 2.874 1.00 0.00 O ATOM 0 H SER A 13 13.136 3.167 2.692 1.00 0.00 H new ATOM 0 HA SER A 13 12.918 0.813 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.108 3.085 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.450 1.889 1.028 1.00 0.00 H new ATOM 0 HG SER A 13 10.098 1.333 3.244 1.00 0.00 H new ATOM 165 N ASP A 14 12.685 1.072 -1.106 1.00 0.00 N ATOM 166 CA ASP A 14 12.566 1.088 -2.561 1.00 0.00 C ATOM 167 C ASP A 14 11.111 1.359 -2.991 1.00 0.00 C ATOM 168 O ASP A 14 10.863 1.783 -4.125 1.00 0.00 O ATOM 169 CB ASP A 14 13.080 -0.251 -3.125 1.00 0.00 C ATOM 170 CG ASP A 14 14.613 -0.359 -3.138 1.00 0.00 C ATOM 171 OD1 ASP A 14 15.246 -0.479 -2.058 1.00 0.00 O ATOM 172 OD2 ASP A 14 15.203 -0.343 -4.242 1.00 0.00 O ATOM 0 H ASP A 14 12.884 0.142 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 14 13.174 1.897 -2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.671 -1.068 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.706 -0.377 -4.141 1.00 0.00 H new ATOM 177 N LEU A 15 10.143 1.118 -2.098 1.00 0.00 N ATOM 178 CA LEU A 15 8.707 1.272 -2.311 1.00 0.00 C ATOM 179 C LEU A 15 8.208 2.673 -1.910 1.00 0.00 C ATOM 180 O LEU A 15 8.859 3.361 -1.115 1.00 0.00 O ATOM 181 CB LEU A 15 7.956 0.191 -1.501 1.00 0.00 C ATOM 182 CG LEU A 15 7.814 -1.173 -2.204 1.00 0.00 C ATOM 183 CD1 LEU A 15 7.085 -2.134 -1.261 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.997 -1.102 -3.505 1.00 0.00 C ATOM 0 H LEU A 15 10.358 0.792 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 15 8.508 1.152 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.476 0.042 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.960 0.565 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 15 8.821 -1.507 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.976 -3.105 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.660 -2.248 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.099 -1.734 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.935 -2.095 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.993 -0.739 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.484 -0.421 -4.203 1.00 0.00 H new ATOM 196 N PRO A 16 7.028 3.089 -2.415 1.00 0.00 N ATOM 197 CA PRO A 16 6.310 4.238 -1.887 1.00 0.00 C ATOM 198 C PRO A 16 5.754 3.891 -0.504 1.00 0.00 C ATOM 199 O PRO A 16 5.365 2.744 -0.251 1.00 0.00 O ATOM 200 CB PRO A 16 5.165 4.508 -2.869 1.00 0.00 C ATOM 201 CG PRO A 16 4.988 3.223 -3.680 1.00 0.00 C ATOM 202 CD PRO A 16 6.170 2.334 -3.318 1.00 0.00 C ATOM 0 HA PRO A 16 6.952 5.113 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.248 4.763 -2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.400 5.350 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.044 2.735 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.972 3.435 -4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.827 1.416 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.719 2.043 -4.214 1.00 0.00 H new ATOM 210 N GLY A 17 5.668 4.883 0.379 1.00 0.00 N ATOM 211 CA GLY A 17 5.057 4.715 1.677 1.00 0.00 C ATOM 212 C GLY A 17 3.560 4.433 1.561 1.00 0.00 C ATOM 213 O GLY A 17 2.911 4.855 0.594 1.00 0.00 O ATOM 0 H GLY A 17 6.023 5.823 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.543 3.894 2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.213 5.614 2.273 1.00 0.00 H new ATOM 217 N PRO A 18 2.985 3.776 2.579 1.00 0.00 N ATOM 218 CA PRO A 18 1.552 3.601 2.679 1.00 0.00 C ATOM 219 C PRO A 18 0.909 4.987 2.816 1.00 0.00 C ATOM 220 O PRO A 18 1.456 5.844 3.516 1.00 0.00 O ATOM 221 CB PRO A 18 1.315 2.719 3.908 1.00 0.00 C ATOM 222 CG PRO A 18 2.564 2.923 4.765 1.00 0.00 C ATOM 223 CD PRO A 18 3.662 3.287 3.763 1.00 0.00 C ATOM 0 HA PRO A 18 1.109 3.124 1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.413 3.016 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.190 1.673 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.417 3.716 5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.817 2.019 5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.326 4.048 4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.278 2.419 3.528 1.00 0.00 H new ATOM 231 N PRO A 19 -0.243 5.230 2.178 1.00 0.00 N ATOM 232 CA PRO A 19 -1.016 6.429 2.410 1.00 0.00 C ATOM 233 C PRO A 19 -1.553 6.469 3.848 1.00 0.00 C ATOM 234 O PRO A 19 -1.464 5.498 4.615 1.00 0.00 O ATOM 235 CB PRO A 19 -2.136 6.415 1.363 1.00 0.00 C ATOM 236 CG PRO A 19 -2.154 5.015 0.755 1.00 0.00 C ATOM 237 CD PRO A 19 -1.011 4.271 1.419 1.00 0.00 C ATOM 0 HA PRO A 19 -0.411 7.330 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.097 6.650 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.957 7.168 0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.106 4.518 0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.021 5.055 -0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.394 3.486 2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.384 3.786 0.670 1.00 0.00 H new ATOM 245 N SER A 20 -2.137 7.609 4.207 1.00 0.00 N ATOM 246 CA SER A 20 -2.863 7.792 5.453 1.00 0.00 C ATOM 247 C SER A 20 -4.130 6.924 5.458 1.00 0.00 C ATOM 248 O SER A 20 -4.544 6.408 4.413 1.00 0.00 O ATOM 249 CB SER A 20 -3.240 9.275 5.585 1.00 0.00 C ATOM 250 OG SER A 20 -2.170 10.129 5.223 1.00 0.00 O ATOM 0 H SER A 20 -2.116 8.447 3.625 1.00 0.00 H new ATOM 0 HA SER A 20 -2.238 7.491 6.294 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.103 9.487 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.538 9.483 6.613 1.00 0.00 H new ATOM 0 HG SER A 20 -2.391 11.052 5.468 1.00 0.00 H new ATOM 256 N LYS A 21 -4.809 6.828 6.609 1.00 0.00 N ATOM 257 CA LYS A 21 -6.205 6.398 6.660 1.00 0.00 C ATOM 258 C LYS A 21 -6.988 7.224 5.631 1.00 0.00 C ATOM 259 O LYS A 21 -6.952 8.455 5.738 1.00 0.00 O ATOM 260 CB LYS A 21 -6.775 6.630 8.074 1.00 0.00 C ATOM 261 CG LYS A 21 -8.269 6.282 8.141 1.00 0.00 C ATOM 262 CD LYS A 21 -8.888 6.547 9.515 1.00 0.00 C ATOM 263 CE LYS A 21 -10.357 6.108 9.514 1.00 0.00 C ATOM 264 NZ LYS A 21 -11.120 6.683 10.645 1.00 0.00 N ATOM 0 H LYS A 21 -4.407 7.045 7.521 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.286 5.335 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.226 6.022 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.630 7.672 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.805 6.863 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.402 5.231 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.337 6.005 10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.815 7.607 9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.822 6.409 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.408 5.020 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.138 6.635 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.917 6.143 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.842 7.676 10.783 1.00 0.00 H new ATOM 278 N PRO A 22 -7.711 6.609 4.679 1.00 0.00 N ATOM 279 CA PRO A 22 -8.634 7.357 3.854 1.00 0.00 C ATOM 280 C PRO A 22 -9.756 7.906 4.723 1.00 0.00 C ATOM 281 O PRO A 22 -10.361 7.187 5.524 1.00 0.00 O ATOM 282 CB PRO A 22 -9.176 6.389 2.806 1.00 0.00 C ATOM 283 CG PRO A 22 -9.020 5.028 3.480 1.00 0.00 C ATOM 284 CD PRO A 22 -7.794 5.187 4.380 1.00 0.00 C ATOM 0 HA PRO A 22 -8.148 8.203 3.368 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.217 6.601 2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.612 6.445 1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.906 4.767 4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.874 4.236 2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.899 4.600 5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.891 4.838 3.878 1.00 0.00 H new ATOM 292 N GLN A 23 -10.081 9.163 4.477 1.00 0.00 N ATOM 293 CA GLN A 23 -11.313 9.769 4.916 1.00 0.00 C ATOM 294 C GLN A 23 -12.393 9.316 3.966 1.00 0.00 C ATOM 295 O GLN A 23 -12.157 8.850 2.848 1.00 0.00 O ATOM 296 CB GLN A 23 -11.236 11.308 4.859 1.00 0.00 C ATOM 297 CG GLN A 23 -10.403 11.832 6.018 1.00 0.00 C ATOM 298 CD GLN A 23 -11.097 11.721 7.369 1.00 0.00 C ATOM 299 OE1 GLN A 23 -12.234 12.153 7.546 1.00 0.00 O ATOM 300 NE2 GLN A 23 -10.450 11.109 8.342 1.00 0.00 N ATOM 0 H GLN A 23 -9.479 9.799 3.955 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.513 9.475 5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.796 11.623 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.239 11.732 4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.463 11.282 6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.154 12.877 5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.507 10.755 8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.893 10.990 9.253 1.00 0.00 H new ATOM 309 N VAL A 24 -13.591 9.540 4.455 1.00 0.00 N ATOM 310 CA VAL A 24 -14.847 9.251 3.784 1.00 0.00 C ATOM 311 C VAL A 24 -15.598 10.568 3.765 1.00 0.00 C ATOM 312 O VAL A 24 -15.964 11.085 4.822 1.00 0.00 O ATOM 313 CB VAL A 24 -15.576 8.092 4.497 1.00 0.00 C ATOM 314 CG1 VAL A 24 -17.079 8.065 4.177 1.00 0.00 C ATOM 315 CG2 VAL A 24 -14.938 6.758 4.078 1.00 0.00 C ATOM 0 H VAL A 24 -13.728 9.950 5.379 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.731 8.895 2.760 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.473 8.246 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.548 7.232 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.536 9.001 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.220 7.943 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.450 5.937 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.026 6.636 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.885 6.754 4.359 1.00 0.00 H new ATOM 325 N THR A 25 -15.788 11.146 2.586 1.00 0.00 N ATOM 326 CA THR A 25 -16.248 12.524 2.459 1.00 0.00 C ATOM 327 C THR A 25 -17.684 12.538 1.933 1.00 0.00 C ATOM 328 O THR A 25 -18.626 12.602 2.731 1.00 0.00 O ATOM 329 CB THR A 25 -15.226 13.329 1.640 1.00 0.00 C ATOM 330 OG1 THR A 25 -14.922 12.655 0.439 1.00 0.00 O ATOM 331 CG2 THR A 25 -13.915 13.499 2.411 1.00 0.00 C ATOM 0 H THR A 25 -15.629 10.676 1.695 1.00 0.00 H new ATOM 0 HA THR A 25 -16.298 13.028 3.424 1.00 0.00 H new ATOM 0 HB THR A 25 -15.672 14.303 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.951 12.647 0.305 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.210 14.072 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.108 14.028 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.492 12.519 2.630 1.00 0.00 H new ATOM 339 N ASP A 26 -17.860 12.423 0.619 1.00 0.00 N ATOM 340 CA ASP A 26 -19.143 12.248 -0.044 1.00 0.00 C ATOM 341 C ASP A 26 -19.648 10.841 0.256 1.00 0.00 C ATOM 342 O ASP A 26 -18.867 9.905 0.131 1.00 0.00 O ATOM 343 CB ASP A 26 -18.960 12.434 -1.553 1.00 0.00 C ATOM 344 CG ASP A 26 -20.270 12.376 -2.332 1.00 0.00 C ATOM 345 OD1 ASP A 26 -20.949 11.332 -2.335 1.00 0.00 O ATOM 346 OD2 ASP A 26 -20.641 13.381 -2.973 1.00 0.00 O ATOM 0 H ASP A 26 -17.079 12.451 -0.037 1.00 0.00 H new ATOM 0 HA ASP A 26 -19.865 12.982 0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -18.478 13.394 -1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.288 11.662 -1.928 1.00 0.00 H new ATOM 351 N VAL A 27 -20.915 10.656 0.617 1.00 0.00 N ATOM 352 CA VAL A 27 -21.568 9.347 0.584 1.00 0.00 C ATOM 353 C VAL A 27 -22.995 9.529 0.073 1.00 0.00 C ATOM 354 O VAL A 27 -23.666 10.472 0.494 1.00 0.00 O ATOM 355 CB VAL A 27 -21.446 8.646 1.956 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.132 9.374 3.113 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.010 7.224 1.911 1.00 0.00 C ATOM 0 H VAL A 27 -21.520 11.410 0.942 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.073 8.670 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.373 8.646 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -21.992 8.807 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -21.696 10.366 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.197 9.468 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -21.908 6.761 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.064 7.259 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.461 6.638 1.174 1.00 0.00 H new ATOM 367 N THR A 28 -23.460 8.671 -0.837 1.00 0.00 N ATOM 368 CA THR A 28 -24.725 8.913 -1.566 1.00 0.00 C ATOM 369 C THR A 28 -25.851 7.956 -1.180 1.00 0.00 C ATOM 370 O THR A 28 -26.798 8.371 -0.527 1.00 0.00 O ATOM 371 CB THR A 28 -24.509 8.932 -3.087 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.002 7.689 -3.544 1.00 0.00 O ATOM 373 CG2 THR A 28 -23.526 10.003 -3.531 1.00 0.00 C ATOM 0 H THR A 28 -22.988 7.803 -1.092 1.00 0.00 H new ATOM 0 HA THR A 28 -25.054 9.904 -1.254 1.00 0.00 H new ATOM 0 HB THR A 28 -25.490 9.141 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.373 7.843 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 28 -23.414 9.968 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 28 -23.899 10.984 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 28 -22.559 9.827 -3.061 1.00 0.00 H new ATOM 381 N LYS A 29 -25.772 6.701 -1.632 1.00 0.00 N ATOM 382 CA LYS A 29 -26.487 5.501 -1.189 1.00 0.00 C ATOM 383 C LYS A 29 -25.789 4.249 -1.721 1.00 0.00 C ATOM 384 O LYS A 29 -25.864 3.188 -1.111 1.00 0.00 O ATOM 385 CB LYS A 29 -27.954 5.557 -1.633 1.00 0.00 C ATOM 386 CG LYS A 29 -28.159 5.417 -3.151 1.00 0.00 C ATOM 387 CD LYS A 29 -29.304 6.354 -3.563 1.00 0.00 C ATOM 388 CE LYS A 29 -29.812 6.089 -4.964 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.915 5.103 -5.009 1.00 0.00 N ATOM 0 H LYS A 29 -25.138 6.478 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.473 5.459 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.505 4.763 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.385 6.503 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.244 5.675 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.399 4.386 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.127 6.244 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -28.962 7.387 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -30.154 7.027 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -28.988 5.730 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.896 4.602 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -30.800 4.418 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -31.825 5.595 -4.903 1.00 0.00 H new ATOM 403 N ASN A 30 -25.080 4.359 -2.849 1.00 0.00 N ATOM 404 CA ASN A 30 -24.260 3.297 -3.426 1.00 0.00 C ATOM 405 C ASN A 30 -22.948 3.826 -4.001 1.00 0.00 C ATOM 406 O ASN A 30 -22.218 3.060 -4.631 1.00 0.00 O ATOM 407 CB ASN A 30 -25.042 2.436 -4.439 1.00 0.00 C ATOM 408 CG ASN A 30 -25.939 3.205 -5.384 1.00 0.00 C ATOM 409 OD1 ASN A 30 -25.487 4.041 -6.155 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.225 2.933 -5.319 1.00 0.00 N ATOM 0 H ASN A 30 -25.063 5.217 -3.400 1.00 0.00 H new ATOM 0 HA ASN A 30 -23.991 2.634 -2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.329 1.861 -5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -25.651 1.720 -3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -27.882 3.426 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.565 2.229 -4.663 1.00 0.00 H new ATOM 417 N SER A 31 -22.604 5.094 -3.761 1.00 0.00 N ATOM 418 CA SER A 31 -21.245 5.581 -3.925 1.00 0.00 C ATOM 419 C SER A 31 -20.770 6.279 -2.650 1.00 0.00 C ATOM 420 O SER A 31 -21.573 6.655 -1.788 1.00 0.00 O ATOM 421 CB SER A 31 -21.093 6.452 -5.186 1.00 0.00 C ATOM 422 OG SER A 31 -22.234 7.217 -5.518 1.00 0.00 O ATOM 0 H SER A 31 -23.264 5.806 -3.448 1.00 0.00 H new ATOM 0 HA SER A 31 -20.589 4.725 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.249 7.127 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.848 5.806 -6.029 1.00 0.00 H new ATOM 0 HG SER A 31 -22.053 7.740 -6.327 1.00 0.00 H new ATOM 428 N VAL A 32 -19.455 6.415 -2.509 1.00 0.00 N ATOM 429 CA VAL A 32 -18.789 7.154 -1.449 1.00 0.00 C ATOM 430 C VAL A 32 -17.457 7.649 -2.019 1.00 0.00 C ATOM 431 O VAL A 32 -16.772 6.880 -2.696 1.00 0.00 O ATOM 432 CB VAL A 32 -18.666 6.286 -0.169 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.124 4.876 -0.349 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.828 6.918 0.928 1.00 0.00 C ATOM 0 H VAL A 32 -18.797 5.992 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.362 8.023 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.718 6.224 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.087 4.374 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.775 4.319 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.120 4.923 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.791 6.250 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.817 7.092 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.274 7.867 1.225 1.00 0.00 H new ATOM 444 N THR A 33 -17.111 8.919 -1.806 1.00 0.00 N ATOM 445 CA THR A 33 -15.769 9.402 -2.083 1.00 0.00 C ATOM 446 C THR A 33 -14.864 9.002 -0.923 1.00 0.00 C ATOM 447 O THR A 33 -15.178 9.217 0.253 1.00 0.00 O ATOM 448 CB THR A 33 -15.706 10.914 -2.350 1.00 0.00 C ATOM 449 OG1 THR A 33 -16.401 11.237 -3.536 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.257 11.355 -2.582 1.00 0.00 C ATOM 0 H THR A 33 -17.747 9.629 -1.442 1.00 0.00 H new ATOM 0 HA THR A 33 -15.425 8.939 -3.008 1.00 0.00 H new ATOM 0 HB THR A 33 -16.143 11.410 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.353 12.204 -3.691 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.229 12.428 -2.770 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.661 11.125 -1.699 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.849 10.825 -3.443 1.00 0.00 H new ATOM 458 N LEU A 34 -13.711 8.451 -1.284 1.00 0.00 N ATOM 459 CA LEU A 34 -12.579 8.231 -0.409 1.00 0.00 C ATOM 460 C LEU A 34 -11.528 9.268 -0.729 1.00 0.00 C ATOM 461 O LEU A 34 -11.335 9.595 -1.902 1.00 0.00 O ATOM 462 CB LEU A 34 -12.019 6.836 -0.665 1.00 0.00 C ATOM 463 CG LEU A 34 -12.949 5.738 -0.147 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.439 4.420 -0.704 1.00 0.00 C ATOM 465 CD2 LEU A 34 -12.953 5.700 1.378 1.00 0.00 C ATOM 0 H LEU A 34 -13.538 8.133 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.877 8.312 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.860 6.701 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.046 6.743 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.973 5.928 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.077 3.607 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.455 4.455 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.418 4.251 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.622 4.911 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.944 5.503 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.296 6.660 1.765 1.00 0.00 H new ATOM 477 N SER A 35 -10.860 9.755 0.316 1.00 0.00 N ATOM 478 CA SER A 35 -9.915 10.855 0.235 1.00 0.00 C ATOM 479 C SER A 35 -8.731 10.542 1.142 1.00 0.00 C ATOM 480 O SER A 35 -8.913 10.443 2.351 1.00 0.00 O ATOM 481 CB SER A 35 -10.634 12.175 0.597 1.00 0.00 C ATOM 482 OG SER A 35 -12.001 12.220 0.204 1.00 0.00 O ATOM 0 H SER A 35 -10.967 9.384 1.260 1.00 0.00 H new ATOM 0 HA SER A 35 -9.528 10.980 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.572 12.326 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.105 13.005 0.128 1.00 0.00 H new ATOM 0 HG SER A 35 -12.524 11.614 0.769 1.00 0.00 H new ATOM 488 N TRP A 36 -7.546 10.287 0.589 1.00 0.00 N ATOM 489 CA TRP A 36 -6.359 9.911 1.357 1.00 0.00 C ATOM 490 C TRP A 36 -5.191 10.797 0.955 1.00 0.00 C ATOM 491 O TRP A 36 -5.286 11.580 0.006 1.00 0.00 O ATOM 492 CB TRP A 36 -6.032 8.421 1.183 1.00 0.00 C ATOM 493 CG TRP A 36 -5.811 7.975 -0.225 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.608 7.855 -0.819 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.790 7.654 -1.256 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.763 7.472 -2.134 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.094 7.345 -2.461 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.199 7.610 -1.299 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.761 7.025 -3.650 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.882 7.318 -2.492 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.163 7.047 -3.672 1.00 0.00 C ATOM 0 H TRP A 36 -7.381 10.336 -0.416 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.559 10.064 2.418 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.138 8.192 1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.847 7.835 1.608 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.659 8.033 -0.335 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.992 7.305 -2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.763 7.804 -0.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.203 6.765 -4.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.962 7.301 -2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.691 6.856 -4.594 1.00 0.00 H new ATOM 512 N GLN A 37 -4.088 10.697 1.690 1.00 0.00 N ATOM 513 CA GLN A 37 -2.873 11.436 1.416 1.00 0.00 C ATOM 514 C GLN A 37 -1.717 10.448 1.282 1.00 0.00 C ATOM 515 O GLN A 37 -1.722 9.428 1.973 1.00 0.00 O ATOM 516 CB GLN A 37 -2.626 12.440 2.543 1.00 0.00 C ATOM 517 CG GLN A 37 -3.756 13.471 2.652 1.00 0.00 C ATOM 518 CD GLN A 37 -3.332 14.630 3.544 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.326 15.276 3.276 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.098 14.957 4.576 1.00 0.00 N ATOM 0 H GLN A 37 -4.018 10.088 2.505 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.962 11.993 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.529 11.907 3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.681 12.955 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.015 13.843 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.650 12.999 3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.932 14.409 4.786 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.853 15.757 5.160 1.00 0.00 H new ATOM 529 N PRO A 38 -0.745 10.733 0.401 1.00 0.00 N ATOM 530 CA PRO A 38 0.372 9.842 0.122 1.00 0.00 C ATOM 531 C PRO A 38 1.365 9.886 1.284 1.00 0.00 C ATOM 532 O PRO A 38 1.578 10.956 1.864 1.00 0.00 O ATOM 533 CB PRO A 38 0.961 10.361 -1.198 1.00 0.00 C ATOM 534 CG PRO A 38 0.549 11.829 -1.272 1.00 0.00 C ATOM 535 CD PRO A 38 -0.708 11.922 -0.433 1.00 0.00 C ATOM 0 HA PRO A 38 0.088 8.794 0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.046 10.255 -1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.574 9.800 -2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.333 12.480 -0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.361 12.136 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.698 12.824 0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.593 11.977 -1.067 1.00 0.00 H new ATOM 543 N GLY A 39 1.991 8.753 1.615 1.00 0.00 N ATOM 544 CA GLY A 39 3.099 8.683 2.546 1.00 0.00 C ATOM 545 C GLY A 39 4.399 8.942 1.806 1.00 0.00 C ATOM 546 O GLY A 39 4.401 9.231 0.605 1.00 0.00 O ATOM 0 H GLY A 39 1.729 7.845 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.968 9.418 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.128 7.702 3.021 1.00 0.00 H new ATOM 550 N THR A 40 5.508 8.822 2.524 1.00 0.00 N ATOM 551 CA THR A 40 6.802 9.236 2.059 1.00 0.00 C ATOM 552 C THR A 40 7.182 8.530 0.752 1.00 0.00 C ATOM 553 O THR A 40 7.061 7.301 0.676 1.00 0.00 O ATOM 554 CB THR A 40 7.862 8.977 3.135 1.00 0.00 C ATOM 555 OG1 THR A 40 7.429 9.303 4.449 1.00 0.00 O ATOM 556 CG2 THR A 40 9.072 9.819 2.774 1.00 0.00 C ATOM 0 H THR A 40 5.521 8.425 3.463 1.00 0.00 H new ATOM 0 HA THR A 40 6.757 10.306 1.857 1.00 0.00 H new ATOM 0 HB THR A 40 8.085 7.910 3.152 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.148 9.114 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.856 9.666 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.440 9.525 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.790 10.872 2.756 1.00 0.00 H new ATOM 564 N PRO A 41 7.682 9.274 -0.247 1.00 0.00 N ATOM 565 CA PRO A 41 8.271 8.712 -1.454 1.00 0.00 C ATOM 566 C PRO A 41 9.560 7.914 -1.191 1.00 0.00 C ATOM 567 O PRO A 41 9.954 7.644 -0.054 1.00 0.00 O ATOM 568 CB PRO A 41 8.541 9.927 -2.345 1.00 0.00 C ATOM 569 CG PRO A 41 8.641 11.112 -1.402 1.00 0.00 C ATOM 570 CD PRO A 41 7.683 10.733 -0.294 1.00 0.00 C ATOM 0 HA PRO A 41 7.601 7.985 -1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.463 9.799 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.738 10.069 -3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.656 11.250 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.350 12.043 -1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.002 11.154 0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.683 11.118 -0.494 1.00 0.00 H new ATOM 578 N GLY A 42 10.228 7.528 -2.274 1.00 0.00 N ATOM 579 CA GLY A 42 11.638 7.211 -2.292 1.00 0.00 C ATOM 580 C GLY A 42 12.048 7.022 -3.731 1.00 0.00 C ATOM 581 O GLY A 42 11.804 7.845 -4.611 1.00 0.00 O ATOM 0 H GLY A 42 9.783 7.427 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.216 8.013 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.834 6.306 -1.717 1.00 0.00 H new ATOM 585 N THR A 43 12.622 5.858 -3.933 1.00 0.00 N ATOM 586 CA THR A 43 13.479 5.446 -5.014 1.00 0.00 C ATOM 587 C THR A 43 12.760 5.383 -6.365 1.00 0.00 C ATOM 588 O THR A 43 13.375 5.516 -7.426 1.00 0.00 O ATOM 589 CB THR A 43 14.000 4.078 -4.544 1.00 0.00 C ATOM 590 OG1 THR A 43 14.196 4.030 -3.138 1.00 0.00 O ATOM 591 CG2 THR A 43 15.327 3.786 -5.175 1.00 0.00 C ATOM 0 H THR A 43 12.482 5.096 -3.269 1.00 0.00 H new ATOM 0 HA THR A 43 14.281 6.158 -5.207 1.00 0.00 H new ATOM 0 HB THR A 43 13.244 3.348 -4.834 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.793 3.285 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.686 2.815 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.219 3.773 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.043 4.557 -4.891 1.00 0.00 H new ATOM 599 N LEU A 44 11.440 5.236 -6.342 1.00 0.00 N ATOM 600 CA LEU A 44 10.532 5.304 -7.477 1.00 0.00 C ATOM 601 C LEU A 44 9.354 6.222 -7.131 1.00 0.00 C ATOM 602 O LEU A 44 9.208 6.630 -5.972 1.00 0.00 O ATOM 603 CB LEU A 44 10.028 3.885 -7.769 1.00 0.00 C ATOM 604 CG LEU A 44 10.954 2.982 -8.592 1.00 0.00 C ATOM 605 CD1 LEU A 44 10.239 1.642 -8.783 1.00 0.00 C ATOM 606 CD2 LEU A 44 11.295 3.553 -9.962 1.00 0.00 C ATOM 0 H LEU A 44 10.944 5.054 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 44 11.041 5.705 -8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.829 3.392 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.075 3.963 -8.293 1.00 0.00 H new ATOM 0 HG LEU A 44 11.895 2.884 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.871 0.972 -9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.038 1.195 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.298 1.803 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.953 2.863 -10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.379 3.692 -10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.797 4.513 -9.841 1.00 0.00 H new ATOM 618 N PRO A 45 8.491 6.541 -8.107 1.00 0.00 N ATOM 619 CA PRO A 45 7.170 7.103 -7.888 1.00 0.00 C ATOM 620 C PRO A 45 6.253 5.972 -7.423 1.00 0.00 C ATOM 621 O PRO A 45 6.615 5.200 -6.526 1.00 0.00 O ATOM 622 CB PRO A 45 6.832 7.761 -9.230 1.00 0.00 C ATOM 623 CG PRO A 45 7.447 6.814 -10.250 1.00 0.00 C ATOM 624 CD PRO A 45 8.679 6.283 -9.528 1.00 0.00 C ATOM 0 HA PRO A 45 7.074 7.857 -7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.755 7.859 -9.370 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.255 8.763 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.761 6.011 -10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.712 7.331 -11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.802 5.216 -9.712 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.580 6.776 -9.892 1.00 0.00 H new ATOM 632 N ALA A 46 5.039 5.930 -7.963 1.00 0.00 N ATOM 633 CA ALA A 46 4.061 4.886 -7.732 1.00 0.00 C ATOM 634 C ALA A 46 3.152 4.875 -8.958 1.00 0.00 C ATOM 635 O ALA A 46 2.575 5.908 -9.303 1.00 0.00 O ATOM 636 CB ALA A 46 3.324 5.187 -6.440 1.00 0.00 C ATOM 0 H ALA A 46 4.702 6.654 -8.598 1.00 0.00 H new ATOM 0 HA ALA A 46 4.502 3.897 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.584 4.409 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.035 5.217 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.823 6.151 -6.523 1.00 0.00 H new ATOM 642 N SER A 47 3.093 3.747 -9.661 1.00 0.00 N ATOM 643 CA SER A 47 2.445 3.621 -10.965 1.00 0.00 C ATOM 644 C SER A 47 0.940 3.930 -10.906 1.00 0.00 C ATOM 645 O SER A 47 0.381 4.463 -11.870 1.00 0.00 O ATOM 646 CB SER A 47 2.691 2.198 -11.490 1.00 0.00 C ATOM 647 OG SER A 47 3.662 2.197 -12.524 1.00 0.00 O ATOM 0 H SER A 47 3.504 2.873 -9.332 1.00 0.00 H new ATOM 0 HA SER A 47 2.877 4.357 -11.643 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.024 1.558 -10.673 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.757 1.778 -11.863 1.00 0.00 H new ATOM 0 HG SER A 47 3.802 1.280 -12.840 1.00 0.00 H new ATOM 653 N ALA A 48 0.262 3.562 -9.811 1.00 0.00 N ATOM 654 CA ALA A 48 -1.145 3.867 -9.576 1.00 0.00 C ATOM 655 C ALA A 48 -1.462 3.618 -8.095 1.00 0.00 C ATOM 656 O ALA A 48 -0.554 3.401 -7.288 1.00 0.00 O ATOM 657 CB ALA A 48 -2.027 2.996 -10.492 1.00 0.00 C ATOM 0 H ALA A 48 0.690 3.033 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.352 4.911 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.077 3.227 -10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.783 3.201 -11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.846 1.943 -10.277 1.00 0.00 H new ATOM 663 N TYR A 49 -2.744 3.603 -7.745 1.00 0.00 N ATOM 664 CA TYR A 49 -3.316 3.091 -6.512 1.00 0.00 C ATOM 665 C TYR A 49 -4.370 2.025 -6.874 1.00 0.00 C ATOM 666 O TYR A 49 -4.785 1.885 -8.030 1.00 0.00 O ATOM 667 CB TYR A 49 -3.920 4.242 -5.661 1.00 0.00 C ATOM 668 CG TYR A 49 -2.947 5.180 -4.959 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.360 4.794 -3.741 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.673 6.466 -5.469 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.419 5.614 -3.097 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.772 7.318 -4.799 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.098 6.870 -3.639 1.00 0.00 C ATOM 674 OH TYR A 49 -0.147 7.639 -3.049 1.00 0.00 O ATOM 0 H TYR A 49 -3.462 3.978 -8.365 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.540 2.631 -5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.557 4.842 -6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.565 3.798 -4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.637 3.851 -3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.155 6.799 -6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.943 5.280 -2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.596 8.316 -5.172 1.00 0.00 H new ATOM 0 HH TYR A 49 0.126 8.351 -3.664 1.00 0.00 H new ATOM 684 N ILE A 50 -4.823 1.305 -5.857 1.00 0.00 N ATOM 685 CA ILE A 50 -5.953 0.384 -5.770 1.00 0.00 C ATOM 686 C ILE A 50 -6.781 0.855 -4.570 1.00 0.00 C ATOM 687 O ILE A 50 -6.232 1.458 -3.642 1.00 0.00 O ATOM 688 CB ILE A 50 -5.433 -1.076 -5.598 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.097 -1.694 -6.972 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.390 -2.003 -4.828 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.268 -2.982 -6.876 1.00 0.00 C ATOM 0 H ILE A 50 -4.346 1.359 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.566 0.382 -6.671 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.533 -0.995 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.025 -1.907 -7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.550 -0.962 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.952 -2.998 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.556 -1.604 -3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.341 -2.064 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.068 -3.362 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.324 -2.771 -6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.822 -3.730 -6.308 1.00 0.00 H new ATOM 703 N ILE A 51 -8.074 0.523 -4.559 1.00 0.00 N ATOM 704 CA ILE A 51 -8.929 0.593 -3.385 1.00 0.00 C ATOM 705 C ILE A 51 -9.611 -0.765 -3.260 1.00 0.00 C ATOM 706 O ILE A 51 -10.113 -1.308 -4.252 1.00 0.00 O ATOM 707 CB ILE A 51 -9.957 1.734 -3.510 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.258 3.072 -3.824 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.808 1.861 -2.234 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.215 4.261 -3.826 1.00 0.00 C ATOM 0 H ILE A 51 -8.562 0.190 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.345 0.813 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.622 1.488 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.473 3.246 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.773 3.002 -4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.524 2.674 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.345 0.928 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.159 2.070 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.662 5.173 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.986 4.106 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.681 4.354 -2.845 1.00 0.00 H new ATOM 722 N GLU A 52 -9.675 -1.283 -2.038 1.00 0.00 N ATOM 723 CA GLU A 52 -10.370 -2.517 -1.705 1.00 0.00 C ATOM 724 C GLU A 52 -11.404 -2.205 -0.636 1.00 0.00 C ATOM 725 O GLU A 52 -11.201 -1.273 0.137 1.00 0.00 O ATOM 726 CB GLU A 52 -9.385 -3.601 -1.234 1.00 0.00 C ATOM 727 CG GLU A 52 -8.350 -3.864 -2.321 1.00 0.00 C ATOM 728 CD GLU A 52 -7.347 -4.962 -1.984 1.00 0.00 C ATOM 729 OE1 GLU A 52 -6.290 -4.648 -1.377 1.00 0.00 O ATOM 730 OE2 GLU A 52 -7.567 -6.114 -2.413 1.00 0.00 O ATOM 0 H GLU A 52 -9.232 -0.843 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.866 -2.913 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.890 -3.282 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.924 -4.520 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.868 -4.132 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.806 -2.940 -2.519 1.00 0.00 H new ATOM 737 N ALA A 53 -12.481 -2.987 -0.561 1.00 0.00 N ATOM 738 CA ALA A 53 -13.541 -2.848 0.428 1.00 0.00 C ATOM 739 C ALA A 53 -13.985 -4.228 0.893 1.00 0.00 C ATOM 740 O ALA A 53 -14.302 -5.093 0.071 1.00 0.00 O ATOM 741 CB ALA A 53 -14.731 -2.129 -0.202 1.00 0.00 C ATOM 0 H ALA A 53 -12.641 -3.758 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.170 -2.275 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.525 -2.024 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.420 -1.142 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.098 -2.707 -1.050 1.00 0.00 H new ATOM 747 N PHE A 54 -14.019 -4.419 2.205 1.00 0.00 N ATOM 748 CA PHE A 54 -14.573 -5.581 2.881 1.00 0.00 C ATOM 749 C PHE A 54 -15.995 -5.223 3.301 1.00 0.00 C ATOM 750 O PHE A 54 -16.282 -4.054 3.577 1.00 0.00 O ATOM 751 CB PHE A 54 -13.667 -5.886 4.079 1.00 0.00 C ATOM 752 CG PHE A 54 -14.145 -6.905 5.089 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.195 -6.591 5.975 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.484 -8.142 5.196 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.621 -7.526 6.927 1.00 0.00 C ATOM 756 CE2 PHE A 54 -13.906 -9.075 6.156 1.00 0.00 C ATOM 757 CZ PHE A 54 -14.996 -8.780 6.996 1.00 0.00 C ATOM 0 H PHE A 54 -13.642 -3.732 2.858 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.615 -6.469 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.705 -6.224 3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.487 -4.950 4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.674 -5.624 5.920 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.656 -8.373 4.543 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.426 -7.283 7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.393 -10.021 6.250 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.352 -9.521 7.696 1.00 0.00 H new ATOM 767 N SER A 55 -16.884 -6.211 3.393 1.00 0.00 N ATOM 768 CA SER A 55 -18.280 -5.963 3.732 1.00 0.00 C ATOM 769 C SER A 55 -18.959 -7.259 4.168 1.00 0.00 C ATOM 770 O SER A 55 -19.264 -8.114 3.331 1.00 0.00 O ATOM 771 CB SER A 55 -19.030 -5.362 2.537 1.00 0.00 C ATOM 772 OG SER A 55 -18.354 -5.516 1.291 1.00 0.00 O ATOM 0 H SER A 55 -16.659 -7.193 3.236 1.00 0.00 H new ATOM 0 HA SER A 55 -18.307 -5.251 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.012 -5.829 2.466 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.194 -4.300 2.721 1.00 0.00 H new ATOM 0 HG SER A 55 -18.467 -4.703 0.755 1.00 0.00 H new ATOM 778 N GLN A 56 -19.213 -7.419 5.466 1.00 0.00 N ATOM 779 CA GLN A 56 -19.697 -8.678 6.008 1.00 0.00 C ATOM 780 C GLN A 56 -21.074 -9.088 5.462 1.00 0.00 C ATOM 781 O GLN A 56 -21.300 -10.279 5.255 1.00 0.00 O ATOM 782 CB GLN A 56 -19.589 -8.646 7.540 1.00 0.00 C ATOM 783 CG GLN A 56 -19.672 -10.041 8.180 1.00 0.00 C ATOM 784 CD GLN A 56 -18.666 -10.176 9.326 1.00 0.00 C ATOM 785 OE1 GLN A 56 -18.920 -9.795 10.466 1.00 0.00 O ATOM 786 NE2 GLN A 56 -17.471 -10.660 9.038 1.00 0.00 N ATOM 0 H GLN A 56 -19.089 -6.684 6.162 1.00 0.00 H new ATOM 0 HA GLN A 56 -19.055 -9.486 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.645 -8.179 7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -20.386 -8.021 7.941 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -20.681 -10.215 8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.476 -10.804 7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -17.263 -10.976 8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.756 -10.718 9.763 1.00 0.00 H new ATOM 795 N SER A 57 -21.950 -8.138 5.128 1.00 0.00 N ATOM 796 CA SER A 57 -23.220 -8.370 4.451 1.00 0.00 C ATOM 797 C SER A 57 -23.126 -7.932 2.981 1.00 0.00 C ATOM 798 O SER A 57 -23.961 -7.184 2.472 1.00 0.00 O ATOM 799 CB SER A 57 -24.314 -7.633 5.211 1.00 0.00 C ATOM 800 OG SER A 57 -24.593 -8.283 6.442 1.00 0.00 O ATOM 0 H SER A 57 -21.785 -7.152 5.330 1.00 0.00 H new ATOM 0 HA SER A 57 -23.465 -9.432 4.443 1.00 0.00 H new ATOM 0 HB2 SER A 57 -24.004 -6.605 5.399 1.00 0.00 H new ATOM 0 HB3 SER A 57 -25.218 -7.588 4.604 1.00 0.00 H new ATOM 0 HG SER A 57 -25.297 -7.795 6.918 1.00 0.00 H new ATOM 806 N VAL A 58 -22.072 -8.381 2.303 1.00 0.00 N ATOM 807 CA VAL A 58 -21.951 -8.443 0.847 1.00 0.00 C ATOM 808 C VAL A 58 -21.371 -9.819 0.547 1.00 0.00 C ATOM 809 O VAL A 58 -22.126 -10.785 0.427 1.00 0.00 O ATOM 810 CB VAL A 58 -21.096 -7.278 0.298 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.833 -7.336 -1.213 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.796 -5.949 0.591 1.00 0.00 C ATOM 0 H VAL A 58 -21.238 -8.729 2.777 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.912 -8.322 0.346 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.133 -7.366 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.226 -6.480 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.304 -8.258 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.782 -7.311 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.193 -5.127 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.774 -5.939 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -21.920 -5.833 1.668 1.00 0.00 H new ATOM 822 N SER A 59 -20.046 -9.915 0.530 1.00 0.00 N ATOM 823 CA SER A 59 -19.274 -11.096 0.201 1.00 0.00 C ATOM 824 C SER A 59 -18.292 -11.421 1.326 1.00 0.00 C ATOM 825 O SER A 59 -17.514 -12.363 1.203 1.00 0.00 O ATOM 826 CB SER A 59 -18.552 -10.828 -1.127 1.00 0.00 C ATOM 827 OG SER A 59 -19.093 -11.646 -2.140 1.00 0.00 O ATOM 0 H SER A 59 -19.451 -9.119 0.760 1.00 0.00 H new ATOM 0 HA SER A 59 -19.923 -11.965 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.655 -9.778 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.486 -11.026 -1.018 1.00 0.00 H new ATOM 0 HG SER A 59 -18.630 -11.469 -2.985 1.00 0.00 H new ATOM 833 N ASN A 60 -18.338 -10.663 2.429 1.00 0.00 N ATOM 834 CA ASN A 60 -17.392 -10.671 3.529 1.00 0.00 C ATOM 835 C ASN A 60 -16.041 -10.156 3.050 1.00 0.00 C ATOM 836 O ASN A 60 -15.696 -9.019 3.362 1.00 0.00 O ATOM 837 CB ASN A 60 -17.394 -12.035 4.229 1.00 0.00 C ATOM 838 CG ASN A 60 -16.823 -11.979 5.629 1.00 0.00 C ATOM 839 OD1 ASN A 60 -17.539 -12.186 6.602 1.00 0.00 O ATOM 840 ND2 ASN A 60 -15.545 -11.747 5.809 1.00 0.00 N ATOM 0 H ASN A 60 -19.088 -9.988 2.577 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.690 -9.975 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.415 -12.413 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -16.817 -12.744 3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.156 -11.740 6.752 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.940 -11.574 5.006 1.00 0.00 H new ATOM 847 N SER A 61 -15.354 -10.963 2.250 1.00 0.00 N ATOM 848 CA SER A 61 -14.085 -10.762 1.574 1.00 0.00 C ATOM 849 C SER A 61 -13.837 -9.347 1.051 1.00 0.00 C ATOM 850 O SER A 61 -14.761 -8.625 0.654 1.00 0.00 O ATOM 851 CB SER A 61 -14.056 -11.805 0.454 1.00 0.00 C ATOM 852 OG SER A 61 -13.853 -13.055 1.095 1.00 0.00 O ATOM 0 H SER A 61 -15.724 -11.889 2.036 1.00 0.00 H new ATOM 0 HA SER A 61 -13.271 -10.886 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.990 -11.801 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.256 -11.595 -0.256 1.00 0.00 H new ATOM 0 HG SER A 61 -13.827 -13.767 0.422 1.00 0.00 H new ATOM 858 N TRP A 62 -12.552 -8.987 1.045 1.00 0.00 N ATOM 859 CA TRP A 62 -12.020 -7.780 0.434 1.00 0.00 C ATOM 860 C TRP A 62 -12.224 -7.883 -1.071 1.00 0.00 C ATOM 861 O TRP A 62 -11.945 -8.933 -1.654 1.00 0.00 O ATOM 862 CB TRP A 62 -10.522 -7.642 0.762 1.00 0.00 C ATOM 863 CG TRP A 62 -10.228 -7.172 2.152 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.857 -7.938 3.203 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.372 -5.822 2.673 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.774 -7.155 4.339 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.164 -5.859 4.081 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.724 -4.582 2.102 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.380 -4.736 4.889 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.950 -3.452 2.908 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.815 -3.538 4.303 1.00 0.00 C ATOM 0 H TRP A 62 -11.829 -9.556 1.485 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.535 -6.900 0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.040 -8.608 0.610 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -10.071 -6.946 0.055 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.656 -8.998 3.161 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.464 -7.493 5.250 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.822 -4.499 1.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.213 -4.792 5.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.229 -2.514 2.452 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.045 -2.684 4.923 1.00 0.00 H new ATOM 882 N GLN A 63 -12.700 -6.805 -1.694 1.00 0.00 N ATOM 883 CA GLN A 63 -12.992 -6.741 -3.122 1.00 0.00 C ATOM 884 C GLN A 63 -12.319 -5.495 -3.662 1.00 0.00 C ATOM 885 O GLN A 63 -12.477 -4.428 -3.070 1.00 0.00 O ATOM 886 CB GLN A 63 -14.516 -6.718 -3.375 1.00 0.00 C ATOM 887 CG GLN A 63 -15.183 -7.815 -2.543 1.00 0.00 C ATOM 888 CD GLN A 63 -16.450 -8.434 -3.104 1.00 0.00 C ATOM 889 OE1 GLN A 63 -17.505 -7.804 -3.179 1.00 0.00 O ATOM 890 NE2 GLN A 63 -16.389 -9.717 -3.408 1.00 0.00 N ATOM 0 H GLN A 63 -12.897 -5.932 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.611 -7.625 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.926 -5.744 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.723 -6.872 -4.434 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.456 -8.613 -2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.414 -7.402 -1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.502 -10.216 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.229 -10.209 -3.713 1.00 0.00 H new ATOM 899 N THR A 64 -11.566 -5.623 -4.750 1.00 0.00 N ATOM 900 CA THR A 64 -10.976 -4.502 -5.485 1.00 0.00 C ATOM 901 C THR A 64 -12.138 -3.697 -6.071 1.00 0.00 C ATOM 902 O THR A 64 -12.685 -4.048 -7.126 1.00 0.00 O ATOM 903 CB THR A 64 -9.967 -4.962 -6.570 1.00 0.00 C ATOM 904 OG1 THR A 64 -9.751 -6.360 -6.517 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.625 -4.228 -6.490 1.00 0.00 C ATOM 0 H THR A 64 -11.342 -6.531 -5.158 1.00 0.00 H new ATOM 0 HA THR A 64 -10.383 -3.881 -4.813 1.00 0.00 H new ATOM 0 HB THR A 64 -10.425 -4.705 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.112 -6.619 -7.214 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.963 -4.594 -7.275 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.787 -3.158 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.169 -4.409 -5.517 1.00 0.00 H new ATOM 913 N VAL A 65 -12.557 -2.657 -5.354 1.00 0.00 N ATOM 914 CA VAL A 65 -13.623 -1.757 -5.766 1.00 0.00 C ATOM 915 C VAL A 65 -13.073 -0.669 -6.695 1.00 0.00 C ATOM 916 O VAL A 65 -13.861 -0.036 -7.401 1.00 0.00 O ATOM 917 CB VAL A 65 -14.380 -1.193 -4.545 1.00 0.00 C ATOM 918 CG1 VAL A 65 -15.205 -2.296 -3.856 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.461 -0.507 -3.521 1.00 0.00 C ATOM 0 H VAL A 65 -12.153 -2.414 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.361 -2.317 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.048 -0.425 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.730 -1.876 -2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.930 -2.703 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.540 -3.092 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.058 -0.134 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.730 -1.225 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.943 0.325 -3.997 1.00 0.00 H new ATOM 929 N ALA A 66 -11.749 -0.502 -6.796 1.00 0.00 N ATOM 930 CA ALA A 66 -11.109 0.215 -7.888 1.00 0.00 C ATOM 931 C ALA A 66 -9.695 -0.319 -8.087 1.00 0.00 C ATOM 932 O ALA A 66 -9.029 -0.673 -7.114 1.00 0.00 O ATOM 933 CB ALA A 66 -11.047 1.696 -7.550 1.00 0.00 C ATOM 0 H ALA A 66 -11.090 -0.868 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.683 0.073 -8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.568 2.236 -8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.057 2.079 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.471 1.837 -6.635 1.00 0.00 H new ATOM 939 N ASN A 67 -9.204 -0.313 -9.328 1.00 0.00 N ATOM 940 CA ASN A 67 -7.820 -0.644 -9.650 1.00 0.00 C ATOM 941 C ASN A 67 -7.267 0.470 -10.536 1.00 0.00 C ATOM 942 O ASN A 67 -8.041 1.214 -11.143 1.00 0.00 O ATOM 943 CB ASN A 67 -7.641 -1.994 -10.388 1.00 0.00 C ATOM 944 CG ASN A 67 -8.441 -3.204 -9.920 1.00 0.00 C ATOM 945 OD1 ASN A 67 -9.666 -3.150 -9.785 1.00 0.00 O ATOM 946 ND2 ASN A 67 -7.774 -4.339 -9.778 1.00 0.00 N ATOM 0 H ASN A 67 -9.766 -0.075 -10.145 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.287 -0.740 -8.704 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.879 -1.829 -11.439 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.585 -2.259 -10.338 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.273 -5.199 -9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.761 -4.353 -9.896 1.00 0.00 H new ATOM 953 N HIS A 68 -5.937 0.526 -10.653 1.00 0.00 N ATOM 954 CA HIS A 68 -5.170 1.461 -11.479 1.00 0.00 C ATOM 955 C HIS A 68 -5.748 2.884 -11.422 1.00 0.00 C ATOM 956 O HIS A 68 -6.217 3.445 -12.412 1.00 0.00 O ATOM 957 CB HIS A 68 -4.953 0.894 -12.898 1.00 0.00 C ATOM 958 CG HIS A 68 -3.904 -0.201 -12.982 1.00 0.00 C ATOM 959 ND1 HIS A 68 -3.309 -0.671 -14.137 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.331 -0.878 -11.934 1.00 0.00 C ATOM 961 CE1 HIS A 68 -2.402 -1.597 -13.790 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.348 -1.720 -12.455 1.00 0.00 N ATOM 0 H HIS A 68 -5.332 -0.118 -10.143 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.169 1.566 -11.060 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.900 0.502 -13.268 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.664 1.709 -13.562 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.594 -0.777 -10.892 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.801 -2.163 -14.486 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.711 -2.314 -11.924 1.00 0.00 H new ATOM 970 N VAL A 69 -5.707 3.452 -10.219 1.00 0.00 N ATOM 971 CA VAL A 69 -6.227 4.753 -9.822 1.00 0.00 C ATOM 972 C VAL A 69 -5.068 5.740 -9.802 1.00 0.00 C ATOM 973 O VAL A 69 -3.986 5.405 -9.339 1.00 0.00 O ATOM 974 CB VAL A 69 -6.826 4.627 -8.410 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.486 5.929 -7.933 1.00 0.00 C ATOM 976 CG2 VAL A 69 -7.834 3.484 -8.337 1.00 0.00 C ATOM 0 H VAL A 69 -5.272 2.971 -9.432 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.995 5.097 -10.515 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.990 4.412 -7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.892 5.785 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.744 6.727 -7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.291 6.200 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.240 3.420 -7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.644 3.668 -9.043 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.339 2.546 -8.589 1.00 0.00 H new ATOM 986 N LYS A 70 -5.276 6.954 -10.295 1.00 0.00 N ATOM 987 CA LYS A 70 -4.227 7.970 -10.436 1.00 0.00 C ATOM 988 C LYS A 70 -4.615 9.280 -9.755 1.00 0.00 C ATOM 989 O LYS A 70 -4.239 10.365 -10.197 1.00 0.00 O ATOM 990 CB LYS A 70 -3.895 8.167 -11.917 1.00 0.00 C ATOM 991 CG LYS A 70 -3.652 6.852 -12.673 1.00 0.00 C ATOM 992 CD LYS A 70 -4.681 6.554 -13.772 1.00 0.00 C ATOM 993 CE LYS A 70 -6.079 6.415 -13.190 1.00 0.00 C ATOM 994 NZ LYS A 70 -7.096 6.111 -14.207 1.00 0.00 N ATOM 0 H LYS A 70 -6.191 7.271 -10.615 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.329 7.619 -9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.713 8.706 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.008 8.794 -12.002 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.659 6.882 -13.121 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.654 6.030 -11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.670 7.354 -14.512 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.407 5.636 -14.292 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.077 5.625 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.348 7.340 -12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.028 6.028 -13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.122 6.875 -14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.859 5.214 -14.678 1.00 0.00 H new ATOM 1008 N THR A 71 -5.424 9.186 -8.709 1.00 0.00 N ATOM 1009 CA THR A 71 -5.869 10.309 -7.919 1.00 0.00 C ATOM 1010 C THR A 71 -5.895 9.845 -6.476 1.00 0.00 C ATOM 1011 O THR A 71 -6.077 8.659 -6.196 1.00 0.00 O ATOM 1012 CB THR A 71 -7.205 10.851 -8.461 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.904 11.689 -7.562 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.191 9.787 -8.962 1.00 0.00 C ATOM 0 H THR A 71 -5.797 8.294 -8.382 1.00 0.00 H new ATOM 0 HA THR A 71 -5.196 11.164 -7.980 1.00 0.00 H new ATOM 0 HB THR A 71 -6.858 11.434 -9.314 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.794 11.316 -7.392 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.098 10.272 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.735 9.222 -9.775 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.441 9.110 -8.145 1.00 0.00 H new ATOM 1022 N THR A 72 -5.725 10.807 -5.580 1.00 0.00 N ATOM 1023 CA THR A 72 -5.797 10.602 -4.136 1.00 0.00 C ATOM 1024 C THR A 72 -7.240 10.759 -3.620 1.00 0.00 C ATOM 1025 O THR A 72 -7.488 10.705 -2.414 1.00 0.00 O ATOM 1026 CB THR A 72 -4.775 11.501 -3.414 1.00 0.00 C ATOM 1027 OG1 THR A 72 -4.995 12.882 -3.657 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.321 11.194 -3.805 1.00 0.00 C ATOM 0 H THR A 72 -5.529 11.774 -5.840 1.00 0.00 H new ATOM 0 HA THR A 72 -5.518 9.574 -3.905 1.00 0.00 H new ATOM 0 HB THR A 72 -4.926 11.277 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.323 13.410 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.650 11.860 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.087 10.160 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.193 11.344 -4.877 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.185 10.987 -4.539 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.594 11.220 -4.317 1.00 0.00 C ATOM 1038 C LEU A 73 -10.366 10.405 -5.347 1.00 0.00 C ATOM 1039 O LEU A 73 -10.069 10.551 -6.536 1.00 0.00 O ATOM 1040 CB LEU A 73 -9.833 12.730 -4.497 1.00 0.00 C ATOM 1041 CG LEU A 73 -10.922 13.309 -3.594 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -10.552 13.090 -2.172 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -10.989 14.817 -3.713 1.00 0.00 C ATOM 0 H LEU A 73 -7.953 11.013 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.923 10.921 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.899 13.259 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.100 12.922 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.856 12.830 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.328 13.502 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.452 12.021 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.604 13.586 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.773 15.199 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.031 15.248 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.211 15.091 -4.744 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.251 9.496 -4.934 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.056 8.709 -5.869 1.00 0.00 C ATOM 1057 C TYR A 74 -13.438 8.400 -5.320 1.00 0.00 C ATOM 1058 O TYR A 74 -13.577 8.016 -4.159 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.297 7.431 -6.212 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.968 6.522 -7.224 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -12.852 5.523 -6.775 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -11.547 6.528 -8.569 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -13.287 4.519 -7.656 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -11.978 5.521 -9.452 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.845 4.502 -8.995 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.207 3.468 -9.803 1.00 0.00 O ATOM 0 H TYR A 74 -11.429 9.286 -3.952 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.217 9.296 -6.773 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.313 7.705 -6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.137 6.867 -5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -13.196 5.528 -5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.891 7.309 -8.923 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.965 3.755 -7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.646 5.526 -10.480 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.825 3.601 -10.696 1.00 0.00 H new ATOM 1076 N THR A 75 -14.432 8.493 -6.198 1.00 0.00 N ATOM 1077 CA THR A 75 -15.806 8.079 -6.001 1.00 0.00 C ATOM 1078 C THR A 75 -15.895 6.562 -6.227 1.00 0.00 C ATOM 1079 O THR A 75 -15.957 6.087 -7.369 1.00 0.00 O ATOM 1080 CB THR A 75 -16.670 8.853 -7.007 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.547 10.255 -6.825 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.157 8.491 -6.880 1.00 0.00 C ATOM 0 H THR A 75 -14.282 8.887 -7.127 1.00 0.00 H new ATOM 0 HA THR A 75 -16.159 8.291 -4.992 1.00 0.00 H new ATOM 0 HB THR A 75 -16.306 8.570 -7.995 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.107 10.720 -7.481 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.734 9.060 -7.609 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.289 7.425 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.505 8.730 -5.875 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.909 5.779 -5.150 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.305 4.379 -5.225 1.00 0.00 C ATOM 1092 C VAL A 76 -17.782 4.341 -5.622 1.00 0.00 C ATOM 1093 O VAL A 76 -18.548 5.184 -5.156 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.062 3.681 -3.874 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.314 2.176 -4.049 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.614 3.857 -3.397 1.00 0.00 C ATOM 0 H VAL A 76 -15.650 6.093 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.711 3.844 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.733 4.126 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.146 1.666 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.343 2.014 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.632 1.778 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.482 3.351 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.934 3.427 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.396 4.918 -3.279 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.199 3.366 -6.434 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.585 3.166 -6.876 1.00 0.00 C ATOM 1108 C ARG A 77 -19.993 1.713 -6.697 1.00 0.00 C ATOM 1109 O ARG A 77 -19.173 0.861 -6.352 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.727 3.520 -8.366 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.495 4.994 -8.695 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.500 5.173 -10.216 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.586 6.586 -10.603 1.00 0.00 N ATOM 1114 CZ ARG A 77 -19.233 7.090 -11.787 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -18.772 6.317 -12.766 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -19.365 8.392 -11.980 1.00 0.00 N ATOM 0 H ARG A 77 -17.560 2.669 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.224 3.812 -6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -19.021 2.918 -8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.727 3.240 -8.699 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.273 5.608 -8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.544 5.327 -8.280 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.593 4.737 -10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.342 4.628 -10.642 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.947 7.239 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.681 5.311 -12.622 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.510 6.730 -13.661 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.729 8.984 -11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.103 8.804 -12.875 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.246 1.412 -7.028 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.702 0.042 -7.218 1.00 0.00 C ATOM 1132 C GLY A 78 -21.916 -0.652 -5.885 1.00 0.00 C ATOM 1133 O GLY A 78 -21.892 -1.881 -5.809 1.00 0.00 O ATOM 0 H GLY A 78 -21.973 2.113 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.632 0.040 -7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.969 -0.510 -7.806 1.00 0.00 H new ATOM 1137 N LEU A 79 -22.144 0.122 -4.827 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.241 -0.392 -3.471 1.00 0.00 C ATOM 1139 C LEU A 79 -23.708 -0.576 -3.129 1.00 0.00 C ATOM 1140 O LEU A 79 -24.538 -0.736 -4.030 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.466 0.512 -2.500 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.011 0.738 -2.935 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.327 1.616 -1.897 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.246 -0.572 -3.169 1.00 0.00 C ATOM 0 H LEU A 79 -22.267 1.132 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.769 -1.371 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -21.972 1.474 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.479 0.066 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.011 1.242 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.291 1.787 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -19.847 2.571 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.352 1.119 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.224 -0.347 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.230 -1.153 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.740 -1.147 -3.952 1.00 0.00 H new ATOM 1156 N ARG A 80 -24.023 -0.626 -1.837 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.354 -0.965 -1.347 1.00 0.00 C ATOM 1158 C ARG A 80 -25.750 0.004 -0.252 1.00 0.00 C ATOM 1159 O ARG A 80 -24.893 0.312 0.580 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.409 -2.385 -0.775 1.00 0.00 C ATOM 1161 CG ARG A 80 -24.955 -3.405 -1.809 1.00 0.00 C ATOM 1162 CD ARG A 80 -24.863 -4.794 -1.193 1.00 0.00 C ATOM 1163 NE ARG A 80 -24.301 -5.787 -2.135 1.00 0.00 N ATOM 1164 CZ ARG A 80 -24.965 -6.840 -2.636 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -26.282 -6.946 -2.476 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -24.308 -7.795 -3.295 1.00 0.00 N ATOM 0 H ARG A 80 -23.353 -0.430 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 80 -26.039 -0.904 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.774 -2.450 0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.426 -2.613 -0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.654 -3.418 -2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -23.984 -3.115 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.242 -4.752 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -25.855 -5.116 -0.877 1.00 0.00 H new ATOM 0 HE ARG A 80 -23.332 -5.661 -2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -26.794 -6.224 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -26.779 -7.750 -2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -23.298 -7.726 -3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -24.815 -8.594 -3.675 1.00 0.00 H new ATOM 1180 N PRO A 81 -27.015 0.428 -0.210 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.517 1.311 0.826 1.00 0.00 C ATOM 1182 C PRO A 81 -27.644 0.562 2.158 1.00 0.00 C ATOM 1183 O PRO A 81 -27.652 -0.672 2.184 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.837 1.834 0.260 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.305 0.784 -0.754 1.00 0.00 C ATOM 1186 CD PRO A 81 -28.075 -0.038 -1.088 1.00 0.00 C ATOM 0 HA PRO A 81 -26.855 2.144 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.575 1.969 1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.700 2.804 -0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -30.093 0.158 -0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.715 1.257 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.266 -1.100 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.796 0.089 -2.134 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.668 1.312 3.267 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.744 0.834 4.658 1.00 0.00 C ATOM 1196 C ASN A 82 -26.837 -0.389 4.907 1.00 0.00 C ATOM 1197 O ASN A 82 -27.271 -1.390 5.480 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.213 0.530 5.037 1.00 0.00 C ATOM 1199 CG ASN A 82 -30.213 1.633 4.712 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -30.838 1.599 3.653 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -30.394 2.607 5.592 1.00 0.00 N ATOM 0 H ASN A 82 -27.633 2.330 3.217 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.373 1.630 5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.522 -0.380 4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.260 0.324 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -31.064 3.351 5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -29.863 2.612 6.463 1.00 0.00 H new ATOM 1208 N THR A 83 -25.592 -0.350 4.428 1.00 0.00 N ATOM 1209 CA THR A 83 -24.627 -1.445 4.465 1.00 0.00 C ATOM 1210 C THR A 83 -23.280 -0.868 4.884 1.00 0.00 C ATOM 1211 O THR A 83 -22.828 0.128 4.322 1.00 0.00 O ATOM 1212 CB THR A 83 -24.608 -2.148 3.078 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.898 -2.608 2.731 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.703 -3.376 3.055 1.00 0.00 C ATOM 0 H THR A 83 -25.214 0.486 3.983 1.00 0.00 H new ATOM 0 HA THR A 83 -24.893 -2.212 5.193 1.00 0.00 H new ATOM 0 HB THR A 83 -24.240 -1.397 2.379 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.367 -1.914 2.222 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.728 -3.828 2.063 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.682 -3.080 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 83 -24.052 -4.099 3.792 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.662 -1.469 5.903 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.279 -1.202 6.264 1.00 0.00 C ATOM 1224 C ILE A 84 -20.371 -1.665 5.137 1.00 0.00 C ATOM 1225 O ILE A 84 -20.577 -2.732 4.547 1.00 0.00 O ATOM 1226 CB ILE A 84 -20.900 -1.930 7.573 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.576 -1.338 8.820 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.373 -1.968 7.839 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.469 0.180 8.956 1.00 0.00 C ATOM 0 H ILE A 84 -23.116 -2.159 6.502 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.158 -0.131 6.423 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.265 -2.944 7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.631 -1.613 8.807 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.137 -1.798 9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.180 -2.494 8.774 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.874 -2.487 7.021 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -18.991 -0.950 7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -21.976 0.500 9.866 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.419 0.468 9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -21.936 0.656 8.094 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.295 -0.912 4.968 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.085 -1.314 4.290 1.00 0.00 C ATOM 1243 C TYR A 85 -16.909 -0.884 5.135 1.00 0.00 C ATOM 1244 O TYR A 85 -16.995 0.075 5.901 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.006 -0.637 2.920 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.092 -1.100 1.986 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.346 -0.462 1.991 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -18.862 -2.216 1.165 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.387 -0.957 1.193 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.878 -2.683 0.322 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.149 -2.075 0.363 1.00 0.00 C ATOM 1252 OH TYR A 85 -22.163 -2.610 -0.352 1.00 0.00 O ATOM 0 H TYR A 85 -19.246 0.044 5.320 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.077 -2.394 4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.077 0.443 3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.034 -0.842 2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.507 0.409 2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.903 -2.713 1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.360 -0.489 1.213 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.689 -3.503 -0.355 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.803 -3.242 -1.008 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.789 -1.547 4.902 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.470 -1.007 5.159 1.00 0.00 C ATOM 1264 C LEU A 86 -13.877 -0.702 3.817 1.00 0.00 C ATOM 1265 O LEU A 86 -14.352 -1.224 2.817 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.595 -2.004 5.932 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.148 -2.376 7.315 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.707 -3.779 7.715 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.719 -1.356 8.370 1.00 0.00 C ATOM 0 H LEU A 86 -15.774 -2.493 4.522 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.530 -0.114 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.486 -2.912 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.598 -1.580 6.052 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.236 -2.363 7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.111 -4.021 8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.076 -4.499 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.618 -3.822 7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.124 -1.644 9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.631 -1.326 8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.096 -0.370 8.097 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.844 0.124 3.821 1.00 0.00 N ATOM 1282 CA PHE A 87 -12.030 0.412 2.669 1.00 0.00 C ATOM 1283 C PHE A 87 -10.584 0.371 3.119 1.00 0.00 C ATOM 1284 O PHE A 87 -10.285 0.754 4.255 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.377 1.783 2.084 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.793 1.883 1.569 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.084 1.347 0.306 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.808 2.516 2.317 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.375 1.467 -0.219 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.107 2.630 1.787 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.388 2.099 0.518 1.00 0.00 C ATOM 0 H PHE A 87 -12.545 0.625 4.658 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.208 -0.323 1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.224 2.544 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.687 2.006 1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.314 0.843 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.588 2.913 3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.594 1.070 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.883 3.123 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.384 2.177 0.109 1.00 0.00 H new ATOM 1301 N MET A 88 -9.685 -0.028 2.226 1.00 0.00 N ATOM 1302 CA MET A 88 -8.280 0.303 2.323 1.00 0.00 C ATOM 1303 C MET A 88 -7.856 0.837 0.967 1.00 0.00 C ATOM 1304 O MET A 88 -8.560 0.678 -0.030 1.00 0.00 O ATOM 1305 CB MET A 88 -7.427 -0.919 2.662 1.00 0.00 C ATOM 1306 CG MET A 88 -7.739 -1.581 3.999 1.00 0.00 C ATOM 1307 SD MET A 88 -6.536 -2.862 4.434 1.00 0.00 S ATOM 1308 CE MET A 88 -6.985 -4.141 3.229 1.00 0.00 C ATOM 0 H MET A 88 -9.919 -0.594 1.411 1.00 0.00 H new ATOM 0 HA MET A 88 -8.136 1.033 3.120 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.551 -1.659 1.871 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.378 -0.622 2.658 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.756 -0.822 4.781 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.735 -2.021 3.959 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.007 -5.113 3.722 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.969 -3.921 2.815 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.249 -4.158 2.425 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.669 1.420 0.941 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.975 1.818 -0.258 1.00 0.00 C ATOM 1320 C VAL A 89 -4.708 0.959 -0.320 1.00 0.00 C ATOM 1321 O VAL A 89 -4.153 0.534 0.713 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.701 3.337 -0.174 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -4.959 3.879 -1.402 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -6.991 4.160 0.001 1.00 0.00 C ATOM 0 H VAL A 89 -6.148 1.634 1.791 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.542 1.660 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.070 3.450 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.795 4.950 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.998 3.374 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.555 3.699 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.742 5.220 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.652 3.985 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.493 3.858 0.920 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.201 0.758 -1.532 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.834 0.335 -1.785 1.00 0.00 C ATOM 1336 C ARG A 90 -2.256 1.222 -2.851 1.00 0.00 C ATOM 1337 O ARG A 90 -2.939 1.473 -3.837 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.767 -1.143 -2.177 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.157 -1.939 -1.021 1.00 0.00 C ATOM 1340 CD ARG A 90 -2.000 -3.392 -1.441 1.00 0.00 C ATOM 1341 NE ARG A 90 -0.961 -4.074 -0.665 1.00 0.00 N ATOM 1342 CZ ARG A 90 -0.717 -5.381 -0.776 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -1.604 -6.192 -1.350 1.00 0.00 N ATOM 1344 NH2 ARG A 90 0.445 -5.854 -0.346 1.00 0.00 N ATOM 0 H ARG A 90 -4.745 0.889 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.244 0.432 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.765 -1.517 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.166 -1.267 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.188 -1.521 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.795 -1.870 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.949 -3.912 -1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.751 -3.439 -2.501 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.400 -3.526 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.481 -5.816 -1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.406 -7.190 -1.429 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.134 -5.221 0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.650 -6.850 -0.422 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.988 1.595 -2.739 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.259 2.166 -3.860 1.00 0.00 C ATOM 1360 C ALA A 91 0.285 0.992 -4.671 1.00 0.00 C ATOM 1361 O ALA A 91 0.440 -0.113 -4.152 1.00 0.00 O ATOM 1362 CB ALA A 91 0.893 3.033 -3.342 1.00 0.00 C ATOM 0 H ALA A 91 -0.443 1.511 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.902 2.797 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.436 3.458 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.494 3.838 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.570 2.421 -2.746 1.00 0.00 H new ATOM 1368 N ILE A 92 0.506 1.198 -5.961 1.00 0.00 N ATOM 1369 CA ILE A 92 1.127 0.252 -6.876 1.00 0.00 C ATOM 1370 C ILE A 92 2.447 0.850 -7.321 1.00 0.00 C ATOM 1371 O ILE A 92 2.574 2.069 -7.449 1.00 0.00 O ATOM 1372 CB ILE A 92 0.172 -0.079 -8.058 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.228 -1.555 -7.930 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.765 0.129 -9.460 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.342 -1.976 -8.885 1.00 0.00 C ATOM 0 H ILE A 92 0.245 2.071 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 92 1.322 -0.703 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.665 0.615 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.649 -2.177 -8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.548 -1.748 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.020 -0.130 -10.212 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.056 1.173 -9.581 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.641 -0.508 -9.583 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.570 -3.031 -8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.234 -1.381 -8.688 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.019 -1.817 -9.914 1.00 0.00 H new ATOM 1387 N ASN A 93 3.404 -0.009 -7.637 1.00 0.00 N ATOM 1388 CA ASN A 93 4.705 0.358 -8.175 1.00 0.00 C ATOM 1389 C ASN A 93 5.303 -0.926 -8.775 1.00 0.00 C ATOM 1390 O ASN A 93 4.886 -2.024 -8.406 1.00 0.00 O ATOM 1391 CB ASN A 93 5.552 0.971 -7.036 1.00 0.00 C ATOM 1392 CG ASN A 93 6.513 2.065 -7.458 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.336 2.713 -8.483 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.517 2.346 -6.648 1.00 0.00 N ATOM 0 H ASN A 93 3.292 -1.016 -7.522 1.00 0.00 H new ATOM 0 HA ASN A 93 4.659 1.114 -8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.877 1.375 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 93 6.122 0.173 -6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.155 3.109 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.654 1.800 -5.798 1.00 0.00 H new ATOM 1401 N PRO A 94 6.290 -0.863 -9.679 1.00 0.00 N ATOM 1402 CA PRO A 94 6.815 -2.032 -10.379 1.00 0.00 C ATOM 1403 C PRO A 94 7.765 -2.863 -9.493 1.00 0.00 C ATOM 1404 O PRO A 94 8.468 -3.746 -9.992 1.00 0.00 O ATOM 1405 CB PRO A 94 7.486 -1.444 -11.626 1.00 0.00 C ATOM 1406 CG PRO A 94 8.036 -0.113 -11.126 1.00 0.00 C ATOM 1407 CD PRO A 94 7.013 0.321 -10.083 1.00 0.00 C ATOM 0 HA PRO A 94 6.041 -2.751 -10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.278 -2.092 -12.001 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.774 -1.306 -12.440 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.029 -0.226 -10.692 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.122 0.615 -11.933 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.507 0.782 -9.227 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.333 1.065 -10.497 1.00 0.00 H new ATOM 1415 N GLN A 95 7.815 -2.563 -8.191 1.00 0.00 N ATOM 1416 CA GLN A 95 8.563 -3.257 -7.145 1.00 0.00 C ATOM 1417 C GLN A 95 7.605 -3.773 -6.060 1.00 0.00 C ATOM 1418 O GLN A 95 8.022 -4.128 -4.957 1.00 0.00 O ATOM 1419 CB GLN A 95 9.669 -2.342 -6.582 1.00 0.00 C ATOM 1420 CG GLN A 95 10.612 -1.771 -7.659 1.00 0.00 C ATOM 1421 CD GLN A 95 11.471 -2.816 -8.381 1.00 0.00 C ATOM 1422 OE1 GLN A 95 11.343 -4.028 -8.218 1.00 0.00 O ATOM 1423 NE2 GLN A 95 12.340 -2.389 -9.284 1.00 0.00 N ATOM 0 H GLN A 95 7.294 -1.770 -7.816 1.00 0.00 H new ATOM 0 HA GLN A 95 9.061 -4.129 -7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.205 -1.516 -6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.258 -2.904 -5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.015 -1.238 -8.399 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.271 -1.038 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.465 -1.389 -9.438 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.884 -3.061 -9.825 1.00 0.00 H new ATOM 1432 N GLY A 96 6.309 -3.803 -6.372 1.00 0.00 N ATOM 1433 CA GLY A 96 5.260 -4.311 -5.510 1.00 0.00 C ATOM 1434 C GLY A 96 4.273 -3.215 -5.161 1.00 0.00 C ATOM 1435 O GLY A 96 4.430 -2.045 -5.524 1.00 0.00 O ATOM 0 H GLY A 96 5.956 -3.460 -7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.740 -5.130 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.697 -4.717 -4.598 1.00 0.00 H new ATOM 1439 N LEU A 97 3.235 -3.610 -4.432 1.00 0.00 N ATOM 1440 CA LEU A 97 2.276 -2.664 -3.891 1.00 0.00 C ATOM 1441 C LEU A 97 2.890 -2.100 -2.608 1.00 0.00 C ATOM 1442 O LEU A 97 3.826 -2.687 -2.057 1.00 0.00 O ATOM 1443 CB LEU A 97 0.944 -3.368 -3.572 1.00 0.00 C ATOM 1444 CG LEU A 97 0.355 -4.145 -4.770 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.513 -5.657 -4.561 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -1.129 -3.852 -5.022 1.00 0.00 C ATOM 0 H LEU A 97 3.039 -4.585 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 97 2.065 -1.873 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.096 -4.057 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.220 -2.624 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 97 0.918 -3.806 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.092 -6.188 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.571 -5.903 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.012 -5.956 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.474 -4.432 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.709 -4.126 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.260 -2.790 -5.227 1.00 0.00 H new ATOM 1458 N SER A 98 2.348 -1.010 -2.080 1.00 0.00 N ATOM 1459 CA SER A 98 2.756 -0.525 -0.772 1.00 0.00 C ATOM 1460 C SER A 98 2.211 -1.448 0.328 1.00 0.00 C ATOM 1461 O SER A 98 1.313 -2.277 0.110 1.00 0.00 O ATOM 1462 CB SER A 98 2.337 0.938 -0.588 1.00 0.00 C ATOM 1463 OG SER A 98 0.929 1.075 -0.645 1.00 0.00 O ATOM 0 H SER A 98 1.629 -0.449 -2.536 1.00 0.00 H new ATOM 0 HA SER A 98 3.843 -0.549 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.703 1.307 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.797 1.552 -1.363 1.00 0.00 H new ATOM 0 HG SER A 98 0.533 0.725 0.180 1.00 0.00 H new ATOM 1469 N ASP A 99 2.728 -1.273 1.545 1.00 0.00 N ATOM 1470 CA ASP A 99 1.984 -1.595 2.767 1.00 0.00 C ATOM 1471 C ASP A 99 0.538 -1.085 2.628 1.00 0.00 C ATOM 1472 O ASP A 99 0.312 -0.070 1.955 1.00 0.00 O ATOM 1473 CB ASP A 99 2.631 -0.901 3.981 1.00 0.00 C ATOM 1474 CG ASP A 99 3.520 -1.777 4.859 1.00 0.00 C ATOM 1475 OD1 ASP A 99 3.856 -2.931 4.514 1.00 0.00 O ATOM 1476 OD2 ASP A 99 3.911 -1.250 5.925 1.00 0.00 O ATOM 0 H ASP A 99 3.665 -0.908 1.713 1.00 0.00 H new ATOM 0 HA ASP A 99 1.997 -2.675 2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.225 -0.062 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.837 -0.486 4.602 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.454 -1.726 3.261 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.828 -1.251 3.229 1.00 0.00 C ATOM 1483 C PRO A 100 -1.920 0.074 3.995 1.00 0.00 C ATOM 1484 O PRO A 100 -1.168 0.301 4.952 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.647 -2.371 3.883 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.663 -3.009 4.856 1.00 0.00 C ATOM 1487 CD PRO A 100 -0.337 -2.904 4.103 1.00 0.00 C ATOM 0 HA PRO A 100 -2.200 -1.047 2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.524 -1.979 4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.005 -3.089 3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.632 -2.479 5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.924 -4.044 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.500 -2.809 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.155 -3.797 3.504 1.00 0.00 H new ATOM 1495 N SER A 101 -2.844 0.948 3.592 1.00 0.00 N ATOM 1496 CA SER A 101 -3.254 2.050 4.444 1.00 0.00 C ATOM 1497 C SER A 101 -3.903 1.477 5.712 1.00 0.00 C ATOM 1498 O SER A 101 -4.365 0.332 5.696 1.00 0.00 O ATOM 1499 CB SER A 101 -4.235 2.951 3.680 1.00 0.00 C ATOM 1500 OG SER A 101 -5.466 2.295 3.424 1.00 0.00 O ATOM 0 H SER A 101 -3.315 0.910 2.688 1.00 0.00 H new ATOM 0 HA SER A 101 -2.392 2.653 4.730 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.420 3.857 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.785 3.260 2.736 1.00 0.00 H new ATOM 0 HG SER A 101 -6.008 2.286 4.240 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.063 2.282 6.769 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.106 2.034 7.754 1.00 0.00 C ATOM 1508 C PRO A 102 -6.461 1.883 7.041 1.00 0.00 C ATOM 1509 O PRO A 102 -6.686 2.502 5.992 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.094 3.267 8.663 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.731 3.915 8.420 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.439 3.575 6.969 1.00 0.00 C ATOM 0 HA PRO A 102 -4.943 1.119 8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.907 3.950 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.219 2.989 9.709 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.763 4.992 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.969 3.514 9.089 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.853 4.324 6.294 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.367 3.532 6.779 1.00 0.00 H new ATOM 1520 N MET A 103 -7.383 1.110 7.617 1.00 0.00 N ATOM 1521 CA MET A 103 -8.757 1.053 7.126 1.00 0.00 C ATOM 1522 C MET A 103 -9.472 2.381 7.378 1.00 0.00 C ATOM 1523 O MET A 103 -9.220 3.037 8.390 1.00 0.00 O ATOM 1524 CB MET A 103 -9.532 -0.088 7.804 1.00 0.00 C ATOM 1525 CG MET A 103 -9.311 -1.410 7.073 1.00 0.00 C ATOM 1526 SD MET A 103 -10.133 -2.831 7.824 1.00 0.00 S ATOM 1527 CE MET A 103 -8.947 -3.224 9.122 1.00 0.00 C ATOM 0 H MET A 103 -7.201 0.515 8.425 1.00 0.00 H new ATOM 0 HA MET A 103 -8.722 0.865 6.053 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.211 -0.184 8.841 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.596 0.149 7.820 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.661 -1.305 6.046 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.240 -1.609 7.026 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.300 -4.085 9.689 1.00 0.00 H new ATOM 0 HE2 MET A 103 -7.981 -3.456 8.674 1.00 0.00 H new ATOM 0 HE3 MET A 103 -8.841 -2.369 9.789 1.00 0.00 H new ATOM 1537 N SER A 104 -10.446 2.712 6.527 1.00 0.00 N ATOM 1538 CA SER A 104 -11.318 3.892 6.584 1.00 0.00 C ATOM 1539 C SER A 104 -12.177 4.005 7.837 1.00 0.00 C ATOM 1540 O SER A 104 -12.838 5.025 8.036 1.00 0.00 O ATOM 1541 CB SER A 104 -12.272 3.800 5.387 1.00 0.00 C ATOM 1542 OG SER A 104 -13.029 2.594 5.464 1.00 0.00 O ATOM 0 H SER A 104 -10.663 2.123 5.723 1.00 0.00 H new ATOM 0 HA SER A 104 -10.664 4.764 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.941 4.660 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.706 3.826 4.456 1.00 0.00 H new ATOM 0 HG SER A 104 -13.654 2.648 6.217 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.167 2.961 8.662 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.175 2.612 9.654 1.00 0.00 C ATOM 1550 C ASP A 105 -14.485 2.155 8.977 1.00 0.00 C ATOM 1551 O ASP A 105 -14.681 2.451 7.791 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.341 3.775 10.646 1.00 0.00 C ATOM 1553 CG ASP A 105 -13.312 3.311 12.090 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -12.323 2.643 12.474 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.241 3.641 12.855 1.00 0.00 O ATOM 0 H ASP A 105 -11.399 2.290 8.652 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.850 1.751 10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.546 4.503 10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.284 4.285 10.450 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.351 1.374 9.658 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.533 0.776 9.050 1.00 0.00 C ATOM 1562 C PRO A 106 -17.605 1.843 8.824 1.00 0.00 C ATOM 1563 O PRO A 106 -18.296 2.251 9.764 1.00 0.00 O ATOM 1564 CB PRO A 106 -16.989 -0.353 9.980 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.419 0.031 11.340 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.182 0.862 11.008 1.00 0.00 C ATOM 0 HA PRO A 106 -16.322 0.359 8.065 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.076 -0.429 10.011 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.611 -1.320 9.648 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.138 0.604 11.926 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.161 -0.851 11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.068 1.681 11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.281 0.253 11.077 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.723 2.319 7.588 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.672 3.345 7.183 1.00 0.00 C ATOM 1576 C VAL A 107 -19.944 2.691 6.679 1.00 0.00 C ATOM 1577 O VAL A 107 -19.908 1.796 5.835 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.053 4.290 6.133 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -17.200 5.300 6.913 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.262 3.582 5.023 1.00 0.00 C ATOM 0 H VAL A 107 -17.141 1.989 6.818 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.924 3.960 8.047 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.850 4.785 5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.735 5.998 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.833 5.850 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.425 4.770 7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.863 4.324 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.440 3.019 5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -17.921 2.900 4.485 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.082 3.141 7.200 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.379 2.783 6.653 1.00 0.00 C ATOM 1592 C ARG A 108 -22.635 3.643 5.431 1.00 0.00 C ATOM 1593 O ARG A 108 -22.064 4.728 5.278 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.451 2.966 7.740 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.724 2.135 7.495 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.341 1.797 8.853 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.749 1.378 8.794 1.00 0.00 N ATOM 1598 CZ ARG A 108 -27.215 0.136 8.617 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -26.387 -0.868 8.370 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -28.519 -0.096 8.688 1.00 0.00 N ATOM 0 H ARG A 108 -21.127 3.761 8.009 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.409 1.739 6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.028 2.691 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.721 4.020 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.432 2.695 6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.484 1.223 6.949 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -24.757 1.001 9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -25.261 2.669 9.502 1.00 0.00 H new ATOM 0 HE ARG A 108 -27.447 2.114 8.899 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -25.383 -0.699 8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -26.754 -1.810 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -29.164 0.671 8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -28.877 -1.042 8.553 1.00 0.00 H new ATOM 1614 N THR A 109 -23.514 3.172 4.570 1.00 0.00 N ATOM 1615 CA THR A 109 -24.063 3.960 3.491 1.00 0.00 C ATOM 1616 C THR A 109 -25.336 4.645 3.948 1.00 0.00 C ATOM 1617 O THR A 109 -25.882 4.380 5.025 1.00 0.00 O ATOM 1618 CB THR A 109 -24.279 3.028 2.296 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.901 1.830 2.690 1.00 0.00 O ATOM 1620 CG2 THR A 109 -22.931 2.614 1.735 1.00 0.00 C ATOM 0 H THR A 109 -23.871 2.217 4.603 1.00 0.00 H new ATOM 0 HA THR A 109 -23.383 4.756 3.188 1.00 0.00 H new ATOM 0 HB THR A 109 -24.892 3.567 1.574 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.959 1.223 1.922 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.080 1.950 0.884 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.383 3.500 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.360 2.095 2.505 1.00 0.00 H new ATOM 1628 N GLN A 110 -25.786 5.567 3.114 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.069 6.215 3.241 1.00 0.00 C ATOM 1630 C GLN A 110 -28.197 5.264 2.898 1.00 0.00 C ATOM 1631 O GLN A 110 -28.026 4.109 2.497 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.073 7.410 2.287 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.333 8.621 2.845 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.944 9.928 2.328 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -28.135 10.176 2.513 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.192 10.797 1.677 1.00 0.00 N ATOM 0 H GLN A 110 -25.250 5.891 2.309 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.225 6.539 4.270 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -26.616 7.115 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.104 7.690 2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.371 8.604 3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.282 8.571 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.204 10.599 1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.599 11.666 1.332 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.363 5.847 3.078 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.652 5.373 2.618 1.00 0.00 C ATOM 1647 C ASP A 111 -30.783 5.668 1.121 1.00 0.00 C ATOM 1648 O ASP A 111 -30.208 6.636 0.622 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.715 6.118 3.421 1.00 0.00 C ATOM 1650 CG ASP A 111 -33.061 6.072 2.710 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.820 5.083 2.839 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.323 7.008 1.922 1.00 0.00 O ATOM 0 H ASP A 111 -29.441 6.728 3.586 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.767 4.299 2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -31.807 5.673 4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -31.409 7.154 3.564 1.00 0.00 H new ATOM 1657 N SER A 112 -31.561 4.857 0.400 1.00 0.00 N ATOM 1658 CA SER A 112 -31.572 4.872 -1.054 1.00 0.00 C ATOM 1659 C SER A 112 -32.653 5.761 -1.698 1.00 0.00 C ATOM 1660 O SER A 112 -32.859 5.651 -2.914 1.00 0.00 O ATOM 1661 CB SER A 112 -31.591 3.429 -1.567 1.00 0.00 C ATOM 1662 OG SER A 112 -30.841 3.302 -2.762 1.00 0.00 O ATOM 0 H SER A 112 -32.198 4.175 0.812 1.00 0.00 H new ATOM 0 HA SER A 112 -30.652 5.361 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.183 2.764 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.620 3.117 -1.745 1.00 0.00 H new ATOM 0 HG SER A 112 -30.996 2.417 -3.153 1.00 0.00 H new ATOM 1668 N GLY A 113 -33.343 6.612 -0.936 1.00 0.00 N ATOM 1669 CA GLY A 113 -34.388 7.498 -1.439 1.00 0.00 C ATOM 1670 C GLY A 113 -33.824 8.687 -2.234 1.00 0.00 C ATOM 1671 O GLY A 113 -33.116 9.505 -1.646 1.00 0.00 O ATOM 0 H GLY A 113 -33.186 6.704 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -35.066 6.929 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -34.976 7.872 -0.601 1.00 0.00 H new ATOM 1675 N PRO A 114 -34.117 8.834 -3.542 1.00 0.00 N ATOM 1676 CA PRO A 114 -33.992 10.122 -4.223 1.00 0.00 C ATOM 1677 C PRO A 114 -35.128 11.067 -3.786 1.00 0.00 C ATOM 1678 O PRO A 114 -36.132 10.622 -3.221 1.00 0.00 O ATOM 1679 CB PRO A 114 -34.089 9.785 -5.715 1.00 0.00 C ATOM 1680 CG PRO A 114 -35.041 8.589 -5.737 1.00 0.00 C ATOM 1681 CD PRO A 114 -34.718 7.852 -4.436 1.00 0.00 C ATOM 0 HA PRO A 114 -33.060 10.635 -3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -34.480 10.622 -6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -33.116 9.534 -6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -36.083 8.906 -5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -34.872 7.957 -6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -35.621 7.428 -3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -34.033 7.024 -4.619 1.00 0.00 H new ATOM 1689 N SER A 115 -34.996 12.354 -4.107 1.00 0.00 N ATOM 1690 CA SER A 115 -36.000 13.390 -3.904 1.00 0.00 C ATOM 1691 C SER A 115 -35.811 14.451 -5.003 1.00 0.00 C ATOM 1692 O SER A 115 -35.248 14.148 -6.066 1.00 0.00 O ATOM 1693 CB SER A 115 -35.871 13.919 -2.466 1.00 0.00 C ATOM 1694 OG SER A 115 -36.987 14.705 -2.094 1.00 0.00 O ATOM 0 H SER A 115 -34.144 12.716 -4.536 1.00 0.00 H new ATOM 0 HA SER A 115 -37.022 13.022 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 115 -35.771 13.080 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 115 -34.962 14.514 -2.377 1.00 0.00 H new ATOM 0 HG SER A 115 -36.871 15.023 -1.174 1.00 0.00 H new ATOM 1700 N SER A 116 -36.324 15.664 -4.805 1.00 0.00 N ATOM 1701 CA SER A 116 -36.179 16.787 -5.725 1.00 0.00 C ATOM 1702 C SER A 116 -36.104 18.085 -4.923 1.00 0.00 C ATOM 1703 O SER A 116 -37.053 18.453 -4.223 1.00 0.00 O ATOM 1704 CB SER A 116 -37.324 16.804 -6.747 1.00 0.00 C ATOM 1705 OG SER A 116 -38.573 16.513 -6.145 1.00 0.00 O ATOM 0 H SER A 116 -36.868 15.898 -3.975 1.00 0.00 H new ATOM 0 HA SER A 116 -35.255 16.681 -6.293 1.00 0.00 H new ATOM 0 HB2 SER A 116 -37.370 17.783 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 116 -37.121 16.076 -7.532 1.00 0.00 H new ATOM 0 HG SER A 116 -39.277 16.535 -6.826 1.00 0.00 H new ATOM 1711 N GLY A 117 -34.962 18.757 -5.008 1.00 0.00 N ATOM 1712 CA GLY A 117 -34.584 19.917 -4.227 1.00 0.00 C ATOM 1713 C GLY A 117 -33.093 20.113 -4.392 1.00 0.00 C ATOM 1714 O GLY A 117 -32.609 21.222 -4.077 1.00 0.00 O ATOM 0 H GLY A 117 -34.233 18.485 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -35.126 20.800 -4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -34.837 19.771 -3.177 1.00 0.00 H new TER 1718 GLY A 117