USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 686 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 30 THR OG1 : rot 102:sc= 0.228 USER MOD Set 1.2: A 102 ASN : amide:sc= -0.444 K(o=-0.22,f=-1.8!) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 22 SER OG : rot -82:sc= 0.513 USER MOD Single : A 8 SER OG : rot 35:sc= 0.422 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 29 SER OG : rot -121:sc= 0.0578 USER MOD Single : A 31 SER OG : rot 34:sc= 0.686 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.882 K(o=-0.88,f=0) USER MOD Single : A 48 ASN : amide:sc=-0.00785 X(o=-0.0078,f=-0.024) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.068 USER MOD Single : A 103 THR OG1 : rot -177:sc= 0.247 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.0248 K(o=0.025,f=-1.1) USER MOD Single : A 112 SER OG : rot 37:sc= 0.546 USER MOD ----------------------------------------------------------------- ATOM 24 N ALA A 3 -16.582 11.588 -1.587 1.00 0.00 N ATOM 25 CA ALA A 3 -15.330 10.932 -2.166 1.00 0.00 C ATOM 26 C ALA A 3 -15.569 9.504 -2.726 1.00 0.00 C ATOM 27 O ALA A 3 -15.228 8.513 -2.095 1.00 0.00 O ATOM 28 CB ALA A 3 -14.123 10.993 -1.164 1.00 0.00 C ATOM 0 HA ALA A 3 -15.059 11.530 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.252 10.516 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.890 12.034 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.387 10.472 -0.244 1.00 0.00 H new ATOM 34 N ALA A 4 -16.110 9.473 -3.944 1.00 0.00 N ATOM 35 CA ALA A 4 -16.422 8.182 -4.654 1.00 0.00 C ATOM 36 C ALA A 4 -15.161 7.588 -5.285 1.00 0.00 C ATOM 37 O ALA A 4 -14.431 8.317 -5.941 1.00 0.00 O ATOM 38 CB ALA A 4 -17.398 8.502 -5.796 1.00 0.00 C ATOM 0 H ALA A 4 -16.349 10.309 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.836 7.473 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.645 7.585 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -18.308 8.938 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.935 9.210 -6.483 1.00 0.00 H new ATOM 44 N VAL A 5 -14.946 6.286 -5.016 1.00 0.00 N ATOM 45 CA VAL A 5 -13.771 5.473 -5.527 1.00 0.00 C ATOM 46 C VAL A 5 -14.452 4.236 -6.140 1.00 0.00 C ATOM 47 O VAL A 5 -15.451 3.769 -5.607 1.00 0.00 O ATOM 48 CB VAL A 5 -12.763 5.011 -4.338 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.325 4.544 -4.893 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.593 6.148 -3.241 1.00 0.00 C ATOM 0 H VAL A 5 -15.579 5.740 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.154 6.044 -6.220 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.227 4.144 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.692 4.246 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.453 3.700 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.856 5.370 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.913 5.803 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.186 7.045 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.563 6.376 -2.800 1.00 0.00 H new ATOM 60 N SER A 6 -13.942 3.819 -7.290 1.00 0.00 N ATOM 61 CA SER A 6 -14.475 2.624 -8.035 1.00 0.00 C ATOM 62 C SER A 6 -13.437 2.135 -9.049 1.00 0.00 C ATOM 63 O SER A 6 -12.738 2.951 -9.626 1.00 0.00 O ATOM 64 CB SER A 6 -15.734 3.039 -8.816 1.00 0.00 C ATOM 65 OG SER A 6 -15.482 4.379 -9.221 1.00 0.00 O ATOM 0 H SER A 6 -13.155 4.275 -7.752 1.00 0.00 H new ATOM 0 HA SER A 6 -14.702 1.834 -7.319 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.899 2.390 -9.676 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.626 2.975 -8.193 1.00 0.00 H new ATOM 0 HG SER A 6 -16.248 4.716 -9.731 1.00 0.00 H new ATOM 71 N VAL A 7 -13.379 0.800 -9.189 1.00 0.00 N ATOM 72 CA VAL A 7 -12.442 0.056 -10.126 1.00 0.00 C ATOM 73 C VAL A 7 -13.415 -0.782 -10.988 1.00 0.00 C ATOM 74 O VAL A 7 -14.437 -1.204 -10.466 1.00 0.00 O ATOM 75 CB VAL A 7 -11.436 -0.900 -9.283 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.199 -1.429 -10.163 1.00 0.00 C ATOM 77 CG2 VAL A 7 -10.911 -0.181 -7.955 1.00 0.00 C ATOM 0 H VAL A 7 -13.982 0.173 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.802 0.711 -10.717 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.023 -1.771 -8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.560 -2.063 -9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.574 -2.004 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.623 -0.579 -10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.241 -0.852 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.375 0.730 -8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.759 0.071 -7.318 1.00 0.00 H new ATOM 87 N SER A 8 -13.087 -0.925 -12.284 1.00 0.00 N ATOM 88 CA SER A 8 -13.932 -1.717 -13.273 1.00 0.00 C ATOM 89 C SER A 8 -13.030 -2.157 -14.521 1.00 0.00 C ATOM 90 O SER A 8 -12.582 -1.229 -15.189 1.00 0.00 O ATOM 91 CB SER A 8 -15.025 -0.741 -13.799 1.00 0.00 C ATOM 92 OG SER A 8 -16.086 -0.863 -12.863 1.00 0.00 O ATOM 0 H SER A 8 -12.250 -0.514 -12.697 1.00 0.00 H new ATOM 0 HA SER A 8 -14.354 -2.603 -12.798 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.654 0.283 -13.848 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.349 -1.011 -14.804 1.00 0.00 H new ATOM 0 HG SER A 8 -15.717 -1.007 -11.967 1.00 0.00 H new ATOM 98 N PRO A 9 -12.660 -3.493 -14.840 1.00 0.00 N ATOM 99 CA PRO A 9 -12.937 -4.786 -14.079 1.00 0.00 C ATOM 100 C PRO A 9 -12.231 -4.816 -12.711 1.00 0.00 C ATOM 101 O PRO A 9 -11.195 -4.188 -12.567 1.00 0.00 O ATOM 102 CB PRO A 9 -12.348 -5.912 -14.948 1.00 0.00 C ATOM 103 CG PRO A 9 -11.783 -5.288 -16.231 1.00 0.00 C ATOM 104 CD PRO A 9 -11.921 -3.768 -16.125 1.00 0.00 C ATOM 0 HA PRO A 9 -14.007 -4.887 -13.896 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.563 -6.439 -14.405 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.117 -6.646 -15.190 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.737 -5.567 -16.360 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.322 -5.659 -17.103 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.942 -3.289 -16.119 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.467 -3.368 -16.979 1.00 0.00 H new ATOM 112 N ALA A 10 -12.861 -5.532 -11.757 1.00 0.00 N ATOM 113 CA ALA A 10 -12.348 -5.698 -10.327 1.00 0.00 C ATOM 114 C ALA A 10 -12.477 -7.140 -9.821 1.00 0.00 C ATOM 115 O ALA A 10 -11.831 -7.463 -8.837 1.00 0.00 O ATOM 116 CB ALA A 10 -13.244 -4.849 -9.403 1.00 0.00 C ATOM 0 H ALA A 10 -13.740 -6.021 -11.927 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.299 -5.403 -10.320 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.901 -4.948 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.190 -3.803 -9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.275 -5.195 -9.477 1.00 0.00 H new ATOM 122 N THR A 11 -13.310 -7.941 -10.514 1.00 0.00 N ATOM 123 CA THR A 11 -13.578 -9.401 -10.166 1.00 0.00 C ATOM 124 C THR A 11 -13.289 -10.314 -11.369 1.00 0.00 C ATOM 125 O THR A 11 -13.395 -9.874 -12.503 1.00 0.00 O ATOM 126 CB THR A 11 -15.106 -9.530 -9.862 1.00 0.00 C ATOM 127 OG1 THR A 11 -15.719 -8.583 -10.715 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.543 -9.068 -8.442 1.00 0.00 C ATOM 0 H THR A 11 -13.827 -7.621 -11.333 1.00 0.00 H new ATOM 0 HA THR A 11 -12.946 -9.690 -9.326 1.00 0.00 H new ATOM 0 HB THR A 11 -15.370 -10.581 -9.977 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.690 -8.604 -10.583 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.620 -9.198 -8.332 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.027 -9.665 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.289 -8.017 -8.307 1.00 0.00 H new ATOM 136 N GLY A 12 -12.908 -11.562 -11.063 1.00 0.00 N ATOM 137 CA GLY A 12 -12.586 -12.601 -12.121 1.00 0.00 C ATOM 138 C GLY A 12 -11.273 -12.305 -12.853 1.00 0.00 C ATOM 139 O GLY A 12 -11.133 -12.662 -14.013 1.00 0.00 O ATOM 0 H GLY A 12 -12.808 -11.901 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.524 -13.584 -11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.400 -12.643 -12.844 1.00 0.00 H new ATOM 143 N LEU A 13 -10.354 -11.702 -12.120 1.00 0.00 N ATOM 144 CA LEU A 13 -8.993 -11.322 -12.656 1.00 0.00 C ATOM 145 C LEU A 13 -8.100 -12.569 -12.810 1.00 0.00 C ATOM 146 O LEU A 13 -8.324 -13.559 -12.132 1.00 0.00 O ATOM 147 CB LEU A 13 -8.301 -10.351 -11.613 1.00 0.00 C ATOM 148 CG LEU A 13 -9.124 -9.004 -11.154 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.206 -8.082 -10.218 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.711 -8.148 -12.370 1.00 0.00 C ATOM 0 H LEU A 13 -10.496 -11.450 -11.142 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.116 -10.845 -13.629 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.077 -10.928 -10.716 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.347 -10.033 -12.034 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.989 -9.361 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.764 -7.194 -9.922 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.916 -8.641 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.313 -7.783 -10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.239 -7.277 -11.981 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.893 -7.820 -13.012 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.401 -8.763 -12.948 1.00 0.00 H new ATOM 162 N ALA A 14 -7.133 -12.439 -13.742 1.00 0.00 N ATOM 163 CA ALA A 14 -6.112 -13.499 -14.105 1.00 0.00 C ATOM 164 C ALA A 14 -4.717 -12.851 -14.093 1.00 0.00 C ATOM 165 O ALA A 14 -4.606 -11.701 -13.705 1.00 0.00 O ATOM 166 CB ALA A 14 -6.453 -13.984 -15.535 1.00 0.00 C ATOM 0 H ALA A 14 -7.020 -11.584 -14.287 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.126 -14.334 -13.405 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.740 -14.751 -15.839 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.461 -14.399 -15.548 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.398 -13.144 -16.227 1.00 0.00 H new ATOM 172 N ASP A 15 -3.704 -13.621 -14.486 1.00 0.00 N ATOM 173 CA ASP A 15 -2.274 -13.131 -14.528 1.00 0.00 C ATOM 174 C ASP A 15 -2.047 -12.025 -15.588 1.00 0.00 C ATOM 175 O ASP A 15 -2.424 -12.201 -16.737 1.00 0.00 O ATOM 176 CB ASP A 15 -1.403 -14.350 -14.900 1.00 0.00 C ATOM 177 CG ASP A 15 0.000 -13.905 -15.340 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.708 -13.402 -14.483 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.289 -14.109 -16.509 1.00 0.00 O ATOM 0 H ASP A 15 -3.818 -14.590 -14.785 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.021 -12.700 -13.559 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.325 -15.021 -14.045 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.880 -14.912 -15.703 1.00 0.00 H new ATOM 184 N GLY A 16 -1.455 -10.909 -15.142 1.00 0.00 N ATOM 185 CA GLY A 16 -1.151 -9.726 -16.038 1.00 0.00 C ATOM 186 C GLY A 16 -2.412 -8.973 -16.495 1.00 0.00 C ATOM 187 O GLY A 16 -2.387 -8.364 -17.553 1.00 0.00 O ATOM 0 H GLY A 16 -1.168 -10.776 -14.172 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.495 -9.035 -15.507 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.605 -10.073 -16.915 1.00 0.00 H new ATOM 191 N ALA A 17 -3.454 -9.016 -15.666 1.00 0.00 N ATOM 192 CA ALA A 17 -4.758 -8.328 -15.980 1.00 0.00 C ATOM 193 C ALA A 17 -4.665 -6.794 -15.857 1.00 0.00 C ATOM 194 O ALA A 17 -4.322 -6.295 -14.798 1.00 0.00 O ATOM 195 CB ALA A 17 -5.804 -8.808 -14.964 1.00 0.00 C ATOM 0 H ALA A 17 -3.446 -9.509 -14.773 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.022 -8.573 -17.009 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.759 -8.324 -15.169 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.920 -9.889 -15.044 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.477 -8.552 -13.956 1.00 0.00 H new ATOM 201 N THR A 18 -4.999 -6.109 -16.948 1.00 0.00 N ATOM 202 CA THR A 18 -4.973 -4.602 -17.014 1.00 0.00 C ATOM 203 C THR A 18 -6.271 -4.122 -16.356 1.00 0.00 C ATOM 204 O THR A 18 -7.321 -4.658 -16.682 1.00 0.00 O ATOM 205 CB THR A 18 -4.947 -4.233 -18.538 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.644 -4.588 -18.956 1.00 0.00 O ATOM 207 CG2 THR A 18 -5.030 -2.709 -18.901 1.00 0.00 C ATOM 0 H THR A 18 -5.296 -6.553 -17.817 1.00 0.00 H new ATOM 0 HA THR A 18 -4.119 -4.148 -16.512 1.00 0.00 H new ATOM 0 HB THR A 18 -5.810 -4.724 -18.988 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.541 -4.389 -19.910 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.003 -2.591 -19.984 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.960 -2.293 -18.514 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.185 -2.183 -18.457 1.00 0.00 H new ATOM 215 N VAL A 19 -6.134 -3.175 -15.416 1.00 0.00 N ATOM 216 CA VAL A 19 -7.300 -2.566 -14.642 1.00 0.00 C ATOM 217 C VAL A 19 -7.181 -1.027 -14.670 1.00 0.00 C ATOM 218 O VAL A 19 -6.080 -0.505 -14.566 1.00 0.00 O ATOM 219 CB VAL A 19 -7.363 -3.154 -13.132 1.00 0.00 C ATOM 220 CG1 VAL A 19 -7.584 -4.734 -13.137 1.00 0.00 C ATOM 221 CG2 VAL A 19 -6.096 -2.760 -12.223 1.00 0.00 C ATOM 0 H VAL A 19 -5.228 -2.790 -15.149 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.241 -2.842 -15.118 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.225 -2.674 -12.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.622 -5.099 -12.111 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.522 -4.969 -13.641 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.759 -5.215 -13.663 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.214 -3.191 -11.229 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.185 -3.147 -12.681 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.029 -1.675 -12.143 1.00 0.00 H new ATOM 231 N THR A 20 -8.359 -0.381 -14.810 1.00 0.00 N ATOM 232 CA THR A 20 -8.526 1.121 -14.874 1.00 0.00 C ATOM 233 C THR A 20 -9.113 1.657 -13.545 1.00 0.00 C ATOM 234 O THR A 20 -10.314 1.569 -13.330 1.00 0.00 O ATOM 235 CB THR A 20 -9.522 1.335 -16.077 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.732 1.050 -17.214 1.00 0.00 O ATOM 237 CG2 THR A 20 -10.013 2.796 -16.365 1.00 0.00 C ATOM 0 H THR A 20 -9.246 -0.880 -14.885 1.00 0.00 H new ATOM 0 HA THR A 20 -7.586 1.654 -15.017 1.00 0.00 H new ATOM 0 HB THR A 20 -10.405 0.737 -15.851 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.274 1.156 -18.024 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.691 2.790 -17.218 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.534 3.184 -15.490 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.155 3.431 -16.587 1.00 0.00 H new ATOM 245 N VAL A 21 -8.230 2.223 -12.714 1.00 0.00 N ATOM 246 CA VAL A 21 -8.624 2.809 -11.367 1.00 0.00 C ATOM 247 C VAL A 21 -9.211 4.189 -11.703 1.00 0.00 C ATOM 248 O VAL A 21 -8.778 4.790 -12.673 1.00 0.00 O ATOM 249 CB VAL A 21 -7.288 2.918 -10.445 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.425 3.907 -9.175 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.828 1.470 -9.965 1.00 0.00 C ATOM 0 H VAL A 21 -7.235 2.302 -12.923 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.346 2.210 -10.811 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.528 3.365 -11.086 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.488 3.917 -8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.652 4.915 -9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.228 3.557 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.933 1.558 -9.349 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.626 1.009 -9.382 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.610 0.850 -10.835 1.00 0.00 H new ATOM 261 N SER A 22 -10.189 4.607 -10.891 1.00 0.00 N ATOM 262 CA SER A 22 -10.901 5.932 -11.037 1.00 0.00 C ATOM 263 C SER A 22 -11.043 6.576 -9.661 1.00 0.00 C ATOM 264 O SER A 22 -10.901 5.898 -8.652 1.00 0.00 O ATOM 265 CB SER A 22 -12.313 5.683 -11.611 1.00 0.00 C ATOM 266 OG SER A 22 -13.179 5.735 -10.488 1.00 0.00 O ATOM 0 H SER A 22 -10.527 4.052 -10.105 1.00 0.00 H new ATOM 0 HA SER A 22 -10.333 6.584 -11.701 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.578 6.440 -12.350 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.371 4.716 -12.110 1.00 0.00 H new ATOM 0 HG SER A 22 -13.168 4.871 -10.026 1.00 0.00 H new ATOM 272 N ALA A 23 -11.234 7.888 -9.682 1.00 0.00 N ATOM 273 CA ALA A 23 -11.400 8.716 -8.437 1.00 0.00 C ATOM 274 C ALA A 23 -12.076 10.028 -8.826 1.00 0.00 C ATOM 275 O ALA A 23 -11.904 10.465 -9.954 1.00 0.00 O ATOM 276 CB ALA A 23 -10.004 9.006 -7.837 1.00 0.00 C ATOM 0 H ALA A 23 -11.282 8.431 -10.544 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.005 8.189 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.114 9.606 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.511 8.065 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.402 9.551 -8.564 1.00 0.00 H new ATOM 282 N SER A 24 -12.872 10.575 -7.900 1.00 0.00 N ATOM 283 CA SER A 24 -13.606 11.872 -8.134 1.00 0.00 C ATOM 284 C SER A 24 -13.952 12.517 -6.794 1.00 0.00 C ATOM 285 O SER A 24 -14.230 11.807 -5.840 1.00 0.00 O ATOM 286 CB SER A 24 -14.910 11.571 -8.893 1.00 0.00 C ATOM 287 OG SER A 24 -15.308 10.295 -8.415 1.00 0.00 O ATOM 0 H SER A 24 -13.038 10.162 -6.982 1.00 0.00 H new ATOM 0 HA SER A 24 -12.977 12.550 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.670 12.326 -8.692 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.749 11.559 -9.971 1.00 0.00 H new ATOM 0 HG SER A 24 -16.143 10.027 -8.853 1.00 0.00 H new ATOM 293 N GLY A 25 -13.912 13.852 -6.774 1.00 0.00 N ATOM 294 CA GLY A 25 -14.221 14.656 -5.537 1.00 0.00 C ATOM 295 C GLY A 25 -13.091 14.513 -4.510 1.00 0.00 C ATOM 296 O GLY A 25 -13.168 13.653 -3.652 1.00 0.00 O ATOM 0 H GLY A 25 -13.672 14.419 -7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.351 15.706 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.162 14.318 -5.102 1.00 0.00 H new ATOM 300 N PHE A 26 -12.080 15.366 -4.668 1.00 0.00 N ATOM 301 CA PHE A 26 -10.866 15.397 -3.769 1.00 0.00 C ATOM 302 C PHE A 26 -10.309 16.825 -3.760 1.00 0.00 C ATOM 303 O PHE A 26 -10.480 17.543 -4.732 1.00 0.00 O ATOM 304 CB PHE A 26 -9.787 14.445 -4.368 1.00 0.00 C ATOM 305 CG PHE A 26 -9.854 12.978 -3.733 1.00 0.00 C ATOM 306 CD1 PHE A 26 -9.188 12.665 -2.515 1.00 0.00 C ATOM 307 CD2 PHE A 26 -10.525 11.904 -4.381 1.00 0.00 C ATOM 308 CE1 PHE A 26 -9.194 11.380 -2.013 1.00 0.00 C ATOM 309 CE2 PHE A 26 -10.507 10.633 -3.844 1.00 0.00 C ATOM 310 CZ PHE A 26 -9.849 10.375 -2.670 1.00 0.00 C ATOM 0 H PHE A 26 -12.053 16.063 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.128 15.085 -2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.923 14.378 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.797 14.868 -4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -8.670 13.445 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.055 12.086 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.675 11.165 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.018 9.831 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.848 9.375 -2.262 1.00 0.00 H new ATOM 320 N ALA A 27 -9.702 17.197 -2.628 1.00 0.00 N ATOM 321 CA ALA A 27 -9.089 18.571 -2.426 1.00 0.00 C ATOM 322 C ALA A 27 -8.096 18.571 -1.238 1.00 0.00 C ATOM 323 O ALA A 27 -7.227 19.435 -1.182 1.00 0.00 O ATOM 324 CB ALA A 27 -10.237 19.578 -2.127 1.00 0.00 C ATOM 0 H ALA A 27 -9.607 16.584 -1.819 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.544 18.852 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.818 20.573 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.931 19.598 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.767 19.269 -1.226 1.00 0.00 H new ATOM 330 N THR A 28 -8.169 17.527 -0.405 1.00 0.00 N ATOM 331 CA THR A 28 -7.265 17.394 0.803 1.00 0.00 C ATOM 332 C THR A 28 -5.876 16.882 0.393 1.00 0.00 C ATOM 333 O THR A 28 -4.896 17.489 0.802 1.00 0.00 O ATOM 334 CB THR A 28 -7.874 16.345 1.788 1.00 0.00 C ATOM 335 OG1 THR A 28 -8.450 15.332 0.983 1.00 0.00 O ATOM 336 CG2 THR A 28 -9.075 16.857 2.642 1.00 0.00 C ATOM 0 H THR A 28 -8.828 16.757 -0.520 1.00 0.00 H new ATOM 0 HA THR A 28 -7.177 18.376 1.268 1.00 0.00 H new ATOM 0 HB THR A 28 -7.065 16.053 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.847 14.644 1.557 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.426 16.056 3.293 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.755 17.704 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.884 17.169 1.982 1.00 0.00 H new ATOM 344 N SER A 29 -5.834 15.794 -0.393 1.00 0.00 N ATOM 345 CA SER A 29 -4.524 15.189 -0.869 1.00 0.00 C ATOM 346 C SER A 29 -3.808 16.158 -1.836 1.00 0.00 C ATOM 347 O SER A 29 -4.471 16.781 -2.641 1.00 0.00 O ATOM 348 CB SER A 29 -4.845 13.889 -1.617 1.00 0.00 C ATOM 349 OG SER A 29 -5.932 14.218 -2.462 1.00 0.00 O ATOM 0 H SER A 29 -6.665 15.302 -0.723 1.00 0.00 H new ATOM 0 HA SER A 29 -3.875 14.999 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.987 13.542 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.109 13.089 -0.925 1.00 0.00 H new ATOM 0 HG SER A 29 -6.697 13.644 -2.249 1.00 0.00 H new ATOM 355 N THR A 30 -2.482 16.241 -1.707 1.00 0.00 N ATOM 356 CA THR A 30 -1.618 17.151 -2.571 1.00 0.00 C ATOM 357 C THR A 30 -1.287 16.566 -3.957 1.00 0.00 C ATOM 358 O THR A 30 -0.930 17.323 -4.841 1.00 0.00 O ATOM 359 CB THR A 30 -0.272 17.330 -1.789 1.00 0.00 C ATOM 360 OG1 THR A 30 -0.650 17.317 -0.425 1.00 0.00 O ATOM 361 CG2 THR A 30 0.450 18.712 -1.933 1.00 0.00 C ATOM 0 H THR A 30 -1.953 15.702 -1.022 1.00 0.00 H new ATOM 0 HA THR A 30 -2.163 18.078 -2.750 1.00 0.00 H new ATOM 0 HB THR A 30 0.402 16.561 -2.167 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.450 16.439 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.367 18.706 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.693 18.888 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.207 19.505 -1.574 1.00 0.00 H new ATOM 369 N SER A 31 -1.442 15.256 -4.101 1.00 0.00 N ATOM 370 CA SER A 31 -1.151 14.522 -5.398 1.00 0.00 C ATOM 371 C SER A 31 -1.667 13.083 -5.299 1.00 0.00 C ATOM 372 O SER A 31 -1.376 12.423 -4.313 1.00 0.00 O ATOM 373 CB SER A 31 0.378 14.382 -5.600 1.00 0.00 C ATOM 374 OG SER A 31 0.796 15.551 -6.279 1.00 0.00 O ATOM 0 H SER A 31 -1.768 14.647 -3.350 1.00 0.00 H new ATOM 0 HA SER A 31 -1.621 15.082 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.890 14.284 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.614 13.490 -6.180 1.00 0.00 H new ATOM 0 HG SER A 31 0.251 16.311 -5.987 1.00 0.00 H new ATOM 380 N ALA A 32 -2.366 12.628 -6.338 1.00 0.00 N ATOM 381 CA ALA A 32 -2.930 11.221 -6.366 1.00 0.00 C ATOM 382 C ALA A 32 -1.820 10.216 -6.689 1.00 0.00 C ATOM 383 O ALA A 32 -0.905 10.557 -7.420 1.00 0.00 O ATOM 384 CB ALA A 32 -3.982 11.112 -7.487 1.00 0.00 C ATOM 0 H ALA A 32 -2.569 13.179 -7.172 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.369 11.008 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.388 10.101 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.787 11.823 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.516 11.336 -8.447 1.00 0.00 H new ATOM 390 N THR A 33 -1.925 9.028 -6.086 1.00 0.00 N ATOM 391 CA THR A 33 -0.935 7.880 -6.267 1.00 0.00 C ATOM 392 C THR A 33 -1.734 6.594 -5.976 1.00 0.00 C ATOM 393 O THR A 33 -2.753 6.689 -5.312 1.00 0.00 O ATOM 394 CB THR A 33 0.247 8.049 -5.219 1.00 0.00 C ATOM 395 OG1 THR A 33 0.988 9.181 -5.627 1.00 0.00 O ATOM 396 CG2 THR A 33 1.354 6.936 -5.208 1.00 0.00 C ATOM 0 H THR A 33 -2.689 8.801 -5.450 1.00 0.00 H new ATOM 0 HA THR A 33 -0.499 7.855 -7.265 1.00 0.00 H new ATOM 0 HB THR A 33 -0.253 8.064 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.732 9.327 -5.006 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.099 7.172 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.898 5.972 -4.982 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.834 6.891 -6.186 1.00 0.00 H new ATOM 404 N ALA A 34 -1.269 5.458 -6.517 1.00 0.00 N ATOM 405 CA ALA A 34 -1.947 4.107 -6.324 1.00 0.00 C ATOM 406 C ALA A 34 -0.905 2.977 -6.180 1.00 0.00 C ATOM 407 O ALA A 34 -0.148 2.735 -7.112 1.00 0.00 O ATOM 408 CB ALA A 34 -2.813 3.837 -7.567 1.00 0.00 C ATOM 0 H ALA A 34 -0.430 5.417 -7.095 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.549 4.130 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.313 2.875 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.560 4.625 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.180 3.820 -8.455 1.00 0.00 H new ATOM 414 N LEU A 35 -0.903 2.355 -4.980 1.00 0.00 N ATOM 415 CA LEU A 35 0.029 1.208 -4.592 1.00 0.00 C ATOM 416 C LEU A 35 -0.810 -0.061 -4.330 1.00 0.00 C ATOM 417 O LEU A 35 -1.977 0.062 -3.992 1.00 0.00 O ATOM 418 CB LEU A 35 0.691 1.617 -3.222 1.00 0.00 C ATOM 419 CG LEU A 35 1.888 2.717 -3.351 1.00 0.00 C ATOM 420 CD1 LEU A 35 1.895 3.720 -2.106 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.326 2.041 -3.555 1.00 0.00 C ATOM 0 H LEU A 35 -1.543 2.617 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 35 0.762 1.020 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.082 2.015 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.087 0.722 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 35 1.681 3.295 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.705 4.440 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.943 4.249 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.042 3.156 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.086 2.819 -3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.551 1.400 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.321 1.444 -4.467 1.00 0.00 H new ATOM 433 N GLN A 36 -0.158 -1.224 -4.528 1.00 0.00 N ATOM 434 CA GLN A 36 -0.751 -2.611 -4.339 1.00 0.00 C ATOM 435 C GLN A 36 0.216 -3.364 -3.402 1.00 0.00 C ATOM 436 O GLN A 36 1.346 -3.593 -3.804 1.00 0.00 O ATOM 437 CB GLN A 36 -0.833 -3.237 -5.796 1.00 0.00 C ATOM 438 CG GLN A 36 -0.970 -4.810 -5.952 1.00 0.00 C ATOM 439 CD GLN A 36 -2.235 -5.383 -5.290 1.00 0.00 C ATOM 440 OE1 GLN A 36 -3.163 -5.782 -5.963 1.00 0.00 O ATOM 441 NE2 GLN A 36 -2.305 -5.484 -3.994 1.00 0.00 N ATOM 0 H GLN A 36 0.816 -1.252 -4.830 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.745 -2.642 -3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.684 -2.781 -6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.062 -2.930 -6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.978 -5.063 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.093 -5.288 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.534 -5.153 -3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.131 -5.894 -3.558 1.00 0.00 H new ATOM 450 N CYS A 37 -0.274 -3.702 -2.183 1.00 0.00 N ATOM 451 CA CYS A 37 0.528 -4.444 -1.117 1.00 0.00 C ATOM 452 C CYS A 37 -0.206 -5.707 -0.632 1.00 0.00 C ATOM 453 O CYS A 37 -1.421 -5.771 -0.742 1.00 0.00 O ATOM 454 CB CYS A 37 0.705 -3.493 0.091 1.00 0.00 C ATOM 455 SG CYS A 37 1.180 -1.775 -0.246 1.00 0.00 S ATOM 0 H CYS A 37 -1.226 -3.481 -1.890 1.00 0.00 H new ATOM 0 HA CYS A 37 1.484 -4.746 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.233 -3.478 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.458 -3.925 0.750 1.00 0.00 H new ATOM 460 N ALA A 38 0.597 -6.649 -0.088 1.00 0.00 N ATOM 461 CA ALA A 38 0.120 -7.986 0.465 1.00 0.00 C ATOM 462 C ALA A 38 0.216 -7.991 2.002 1.00 0.00 C ATOM 463 O ALA A 38 1.299 -7.770 2.525 1.00 0.00 O ATOM 464 CB ALA A 38 1.075 -9.067 -0.085 1.00 0.00 C ATOM 0 H ALA A 38 1.606 -6.525 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.915 -8.167 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.770 -10.045 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.038 -9.065 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.092 -8.855 0.244 1.00 0.00 H new ATOM 470 N ILE A 39 -0.922 -8.264 2.666 1.00 0.00 N ATOM 471 CA ILE A 39 -1.003 -8.305 4.187 1.00 0.00 C ATOM 472 C ILE A 39 -0.458 -9.687 4.654 1.00 0.00 C ATOM 473 O ILE A 39 -1.009 -10.706 4.272 1.00 0.00 O ATOM 474 CB ILE A 39 -2.557 -8.075 4.636 1.00 0.00 C ATOM 475 CG1 ILE A 39 -3.141 -6.621 4.210 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.831 -8.412 6.206 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.771 -5.377 5.101 1.00 0.00 C ATOM 0 H ILE A 39 -1.808 -8.462 2.201 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.405 -7.520 4.649 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.124 -8.809 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.806 -6.413 3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.228 -6.696 4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.882 -8.238 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.584 -9.455 6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.211 -7.768 6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.235 -4.482 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.132 -5.537 6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.689 -5.250 5.117 1.00 0.00 H new ATOM 489 N LEU A 40 0.597 -9.639 5.485 1.00 0.00 N ATOM 490 CA LEU A 40 1.289 -10.866 6.071 1.00 0.00 C ATOM 491 C LEU A 40 0.717 -11.047 7.499 1.00 0.00 C ATOM 492 O LEU A 40 -0.191 -10.311 7.858 1.00 0.00 O ATOM 493 CB LEU A 40 2.851 -10.589 6.181 1.00 0.00 C ATOM 494 CG LEU A 40 3.607 -9.971 4.876 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.195 -9.924 5.119 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.275 -10.742 3.511 1.00 0.00 C ATOM 0 H LEU A 40 1.017 -8.760 5.788 1.00 0.00 H new ATOM 0 HA LEU A 40 1.126 -11.747 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.012 -9.907 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.340 -11.528 6.438 1.00 0.00 H new ATOM 0 HG LEU A 40 3.221 -8.959 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.686 -9.509 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.412 -9.298 5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.566 -10.933 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.814 -10.273 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.581 -11.785 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.204 -10.693 3.317 1.00 0.00 H new ATOM 508 N ALA A 41 1.246 -12.024 8.247 1.00 0.00 N ATOM 509 CA ALA A 41 0.788 -12.317 9.662 1.00 0.00 C ATOM 510 C ALA A 41 1.115 -11.161 10.618 1.00 0.00 C ATOM 511 O ALA A 41 0.257 -10.751 11.385 1.00 0.00 O ATOM 512 CB ALA A 41 1.532 -13.569 10.152 1.00 0.00 C ATOM 0 H ALA A 41 1.992 -12.638 7.920 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.293 -12.459 9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.220 -13.802 11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.298 -14.410 9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.606 -13.384 10.135 1.00 0.00 H new ATOM 518 N ASP A 42 2.344 -10.653 10.493 1.00 0.00 N ATOM 519 CA ASP A 42 2.850 -9.498 11.353 1.00 0.00 C ATOM 520 C ASP A 42 2.187 -8.148 10.946 1.00 0.00 C ATOM 521 O ASP A 42 2.154 -7.221 11.748 1.00 0.00 O ATOM 522 CB ASP A 42 4.405 -9.405 11.246 1.00 0.00 C ATOM 523 CG ASP A 42 4.906 -9.695 9.830 1.00 0.00 C ATOM 524 OD1 ASP A 42 4.720 -8.829 9.010 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.448 -10.774 9.659 1.00 0.00 O ATOM 0 H ASP A 42 3.028 -10.997 9.819 1.00 0.00 H new ATOM 0 HA ASP A 42 2.573 -9.694 12.389 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.729 -8.409 11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.858 -10.111 11.942 1.00 0.00 H new ATOM 530 N GLY A 43 1.669 -8.096 9.708 1.00 0.00 N ATOM 531 CA GLY A 43 0.978 -6.873 9.139 1.00 0.00 C ATOM 532 C GLY A 43 1.909 -5.797 8.558 1.00 0.00 C ATOM 533 O GLY A 43 1.475 -4.656 8.476 1.00 0.00 O ATOM 0 H GLY A 43 1.704 -8.882 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.292 -7.196 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.374 -6.420 9.925 1.00 0.00 H new ATOM 537 N ARG A 44 3.138 -6.177 8.172 1.00 0.00 N ATOM 538 CA ARG A 44 4.133 -5.184 7.575 1.00 0.00 C ATOM 539 C ARG A 44 3.665 -4.841 6.151 1.00 0.00 C ATOM 540 O ARG A 44 3.188 -5.723 5.455 1.00 0.00 O ATOM 541 CB ARG A 44 5.543 -5.845 7.438 1.00 0.00 C ATOM 542 CG ARG A 44 6.327 -5.995 8.811 1.00 0.00 C ATOM 543 CD ARG A 44 7.300 -4.822 9.155 1.00 0.00 C ATOM 544 NE ARG A 44 7.670 -4.948 10.592 1.00 0.00 N ATOM 545 CZ ARG A 44 7.626 -3.895 11.360 1.00 0.00 C ATOM 546 NH1 ARG A 44 8.646 -3.081 11.373 1.00 0.00 N ATOM 547 NH2 ARG A 44 6.562 -3.688 12.087 1.00 0.00 N ATOM 0 H ARG A 44 3.489 -7.132 8.247 1.00 0.00 H new ATOM 0 HA ARG A 44 4.189 -4.306 8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.428 -6.831 6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.146 -5.250 6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.600 -6.090 9.617 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.898 -6.923 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.189 -4.865 8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.822 -3.861 8.966 1.00 0.00 H new ATOM 0 HE ARG A 44 7.955 -5.850 10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.460 -3.274 10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.630 -2.252 11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.782 -4.345 12.049 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.510 -2.870 12.694 1.00 0.00 H new ATOM 561 N GLY A 45 3.833 -3.581 5.768 1.00 0.00 N ATOM 562 CA GLY A 45 3.421 -3.079 4.399 1.00 0.00 C ATOM 563 C GLY A 45 4.416 -3.455 3.288 1.00 0.00 C ATOM 564 O GLY A 45 5.092 -2.567 2.789 1.00 0.00 O ATOM 0 H GLY A 45 4.249 -2.864 6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.440 -3.485 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.318 -1.994 4.433 1.00 0.00 H new ATOM 568 N ALA A 46 4.436 -4.740 2.906 1.00 0.00 N ATOM 569 CA ALA A 46 5.363 -5.245 1.825 1.00 0.00 C ATOM 570 C ALA A 46 4.731 -4.942 0.465 1.00 0.00 C ATOM 571 O ALA A 46 3.763 -5.595 0.103 1.00 0.00 O ATOM 572 CB ALA A 46 5.548 -6.767 2.016 1.00 0.00 C ATOM 0 H ALA A 46 3.837 -5.459 3.311 1.00 0.00 H new ATOM 0 HA ALA A 46 6.337 -4.759 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.215 -7.152 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.979 -6.961 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.581 -7.263 1.940 1.00 0.00 H new ATOM 578 N CYS A 47 5.270 -3.894 -0.216 1.00 0.00 N ATOM 579 CA CYS A 47 4.771 -3.440 -1.579 1.00 0.00 C ATOM 580 C CYS A 47 5.941 -3.196 -2.537 1.00 0.00 C ATOM 581 O CYS A 47 6.981 -2.700 -2.120 1.00 0.00 O ATOM 582 CB CYS A 47 3.971 -2.097 -1.419 1.00 0.00 C ATOM 583 SG CYS A 47 3.158 -1.711 0.160 1.00 0.00 S ATOM 0 H CYS A 47 6.048 -3.339 0.141 1.00 0.00 H new ATOM 0 HA CYS A 47 4.133 -4.224 -1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.659 -1.281 -1.638 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.203 -2.082 -2.192 1.00 0.00 H new ATOM 588 N ASN A 48 5.724 -3.599 -3.799 1.00 0.00 N ATOM 589 CA ASN A 48 6.750 -3.445 -4.893 1.00 0.00 C ATOM 590 C ASN A 48 6.662 -1.993 -5.427 1.00 0.00 C ATOM 591 O ASN A 48 5.653 -1.602 -5.994 1.00 0.00 O ATOM 592 CB ASN A 48 6.406 -4.495 -5.991 1.00 0.00 C ATOM 593 CG ASN A 48 7.254 -4.314 -7.273 1.00 0.00 C ATOM 594 OD1 ASN A 48 8.434 -4.004 -7.246 1.00 0.00 O ATOM 595 ND2 ASN A 48 6.694 -4.546 -8.427 1.00 0.00 N ATOM 0 H ASN A 48 4.855 -4.036 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 48 7.770 -3.616 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.565 -5.497 -5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.349 -4.417 -6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.241 -4.467 -9.284 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.709 -4.807 -8.473 1.00 0.00 H new ATOM 602 N VAL A 49 7.743 -1.244 -5.216 1.00 0.00 N ATOM 603 CA VAL A 49 7.867 0.211 -5.650 1.00 0.00 C ATOM 604 C VAL A 49 7.856 0.474 -7.187 1.00 0.00 C ATOM 605 O VAL A 49 7.645 1.594 -7.568 1.00 0.00 O ATOM 606 CB VAL A 49 9.202 0.827 -4.967 1.00 0.00 C ATOM 607 CG1 VAL A 49 9.199 0.613 -3.379 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.574 0.288 -5.616 1.00 0.00 C ATOM 0 H VAL A 49 8.575 -1.596 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 49 6.962 0.712 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 49 9.169 1.896 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.108 1.038 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.330 1.109 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.157 -0.453 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.422 0.745 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.627 -0.795 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.603 0.549 -6.674 1.00 0.00 H new ATOM 618 N ALA A 50 8.073 -0.540 -8.002 1.00 0.00 N ATOM 619 CA ALA A 50 8.086 -0.373 -9.519 1.00 0.00 C ATOM 620 C ALA A 50 6.717 -0.083 -10.205 1.00 0.00 C ATOM 621 O ALA A 50 6.729 0.461 -11.298 1.00 0.00 O ATOM 622 CB ALA A 50 8.591 -1.700 -10.102 1.00 0.00 C ATOM 0 H ALA A 50 8.245 -1.494 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 50 8.706 0.502 -9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.619 -1.632 -11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.593 -1.905 -9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.920 -2.506 -9.806 1.00 0.00 H new ATOM 628 N GLU A 51 5.601 -0.401 -9.532 1.00 0.00 N ATOM 629 CA GLU A 51 4.174 -0.182 -10.095 1.00 0.00 C ATOM 630 C GLU A 51 3.613 1.255 -9.882 1.00 0.00 C ATOM 631 O GLU A 51 2.486 1.526 -10.278 1.00 0.00 O ATOM 632 CB GLU A 51 3.190 -1.201 -9.393 1.00 0.00 C ATOM 633 CG GLU A 51 3.758 -2.654 -9.268 1.00 0.00 C ATOM 634 CD GLU A 51 2.601 -3.652 -9.182 1.00 0.00 C ATOM 635 OE1 GLU A 51 2.169 -3.877 -8.069 1.00 0.00 O ATOM 636 OE2 GLU A 51 2.234 -4.156 -10.233 1.00 0.00 O ATOM 0 H GLU A 51 5.613 -0.811 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 51 4.244 -0.338 -11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.949 -0.830 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.257 -1.234 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.387 -2.885 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.387 -2.734 -8.382 1.00 0.00 H new ATOM 643 N PHE A 52 4.428 2.148 -9.328 1.00 0.00 N ATOM 644 CA PHE A 52 4.007 3.598 -9.058 1.00 0.00 C ATOM 645 C PHE A 52 3.794 4.461 -10.328 1.00 0.00 C ATOM 646 O PHE A 52 4.132 4.033 -11.423 1.00 0.00 O ATOM 647 CB PHE A 52 5.104 4.262 -8.168 1.00 0.00 C ATOM 648 CG PHE A 52 6.281 4.983 -9.001 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.234 4.234 -9.744 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.480 6.393 -8.968 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.291 4.854 -10.379 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.551 6.973 -9.618 1.00 0.00 C ATOM 653 CZ PHE A 52 8.447 6.210 -10.317 1.00 0.00 C ATOM 0 H PHE A 52 5.385 1.936 -9.045 1.00 0.00 H new ATOM 0 HA PHE A 52 3.035 3.555 -8.566 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.632 4.997 -7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.544 3.501 -7.524 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.129 3.161 -9.813 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.784 7.017 -8.427 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.004 4.260 -10.932 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.684 8.044 -9.574 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.279 6.681 -10.820 1.00 0.00 H new ATOM 663 N HIS A 53 3.225 5.653 -10.091 1.00 0.00 N ATOM 664 CA HIS A 53 2.914 6.682 -11.161 1.00 0.00 C ATOM 665 C HIS A 53 3.284 8.077 -10.619 1.00 0.00 C ATOM 666 O HIS A 53 4.255 8.640 -11.085 1.00 0.00 O ATOM 667 CB HIS A 53 1.403 6.601 -11.507 1.00 0.00 C ATOM 668 CG HIS A 53 1.186 5.515 -12.576 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.221 5.737 -13.834 1.00 0.00 N ATOM 670 CD2 HIS A 53 0.913 4.161 -12.441 1.00 0.00 C ATOM 671 CE1 HIS A 53 0.994 4.631 -14.456 1.00 0.00 C ATOM 672 NE2 HIS A 53 0.794 3.608 -13.647 1.00 0.00 N ATOM 0 H HIS A 53 2.957 5.956 -9.155 1.00 0.00 H new ATOM 0 HA HIS A 53 3.488 6.493 -12.068 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.825 6.368 -10.613 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.049 7.565 -11.873 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.812 3.636 -11.502 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.970 4.550 -15.533 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.597 2.636 -13.886 1.00 0.00 H new ATOM 679 N ASP A 54 2.537 8.538 -9.603 1.00 0.00 N ATOM 680 CA ASP A 54 2.723 9.888 -8.911 1.00 0.00 C ATOM 681 C ASP A 54 2.754 11.138 -9.853 1.00 0.00 C ATOM 682 O ASP A 54 3.747 11.405 -10.517 1.00 0.00 O ATOM 683 CB ASP A 54 3.969 9.847 -7.956 1.00 0.00 C ATOM 684 CG ASP A 54 3.977 11.077 -7.032 1.00 0.00 C ATOM 685 OD1 ASP A 54 3.309 11.000 -6.012 1.00 0.00 O ATOM 686 OD2 ASP A 54 4.672 12.019 -7.385 1.00 0.00 O ATOM 0 H ASP A 54 1.766 7.998 -9.210 1.00 0.00 H new ATOM 0 HA ASP A 54 1.815 10.034 -8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.947 8.936 -7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.886 9.821 -8.545 1.00 0.00 H new ATOM 691 N PHE A 55 1.613 11.848 -9.907 1.00 0.00 N ATOM 692 CA PHE A 55 1.432 13.099 -10.757 1.00 0.00 C ATOM 693 C PHE A 55 0.304 13.930 -10.130 1.00 0.00 C ATOM 694 O PHE A 55 -0.542 13.377 -9.446 1.00 0.00 O ATOM 695 CB PHE A 55 1.120 12.783 -12.275 1.00 0.00 C ATOM 696 CG PHE A 55 -0.359 12.244 -12.520 1.00 0.00 C ATOM 697 CD1 PHE A 55 -0.747 10.948 -12.100 1.00 0.00 C ATOM 698 CD2 PHE A 55 -1.347 13.012 -13.199 1.00 0.00 C ATOM 699 CE1 PHE A 55 -2.018 10.478 -12.338 1.00 0.00 C ATOM 700 CE2 PHE A 55 -2.607 12.502 -13.418 1.00 0.00 C ATOM 701 CZ PHE A 55 -2.939 11.248 -12.992 1.00 0.00 C ATOM 0 H PHE A 55 0.779 11.596 -9.376 1.00 0.00 H new ATOM 0 HA PHE A 55 2.371 13.653 -10.765 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.271 13.687 -12.865 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.833 12.043 -12.638 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.035 10.320 -11.586 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.105 14.006 -13.546 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.292 9.488 -12.004 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.342 13.102 -13.934 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.932 10.863 -13.172 1.00 0.00 H new ATOM 711 N SER A 56 0.366 15.244 -10.355 1.00 0.00 N ATOM 712 CA SER A 56 -0.652 16.229 -9.812 1.00 0.00 C ATOM 713 C SER A 56 -2.104 16.002 -10.275 1.00 0.00 C ATOM 714 O SER A 56 -2.331 15.460 -11.335 1.00 0.00 O ATOM 715 CB SER A 56 -0.195 17.632 -10.263 1.00 0.00 C ATOM 716 OG SER A 56 -0.438 17.661 -11.662 1.00 0.00 O ATOM 0 H SER A 56 1.103 15.681 -10.909 1.00 0.00 H new ATOM 0 HA SER A 56 -0.680 16.101 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.753 18.414 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.860 17.795 -10.041 1.00 0.00 H new ATOM 0 HG SER A 56 -0.171 18.532 -12.022 1.00 0.00 H new ATOM 722 N LEU A 57 -3.033 16.499 -9.458 1.00 0.00 N ATOM 723 CA LEU A 57 -4.515 16.374 -9.745 1.00 0.00 C ATOM 724 C LEU A 57 -4.890 17.449 -10.780 1.00 0.00 C ATOM 725 O LEU A 57 -4.341 18.543 -10.754 1.00 0.00 O ATOM 726 CB LEU A 57 -5.312 16.727 -8.429 1.00 0.00 C ATOM 727 CG LEU A 57 -5.275 15.594 -7.250 1.00 0.00 C ATOM 728 CD1 LEU A 57 -5.384 16.273 -5.808 1.00 0.00 C ATOM 729 CD2 LEU A 57 -6.408 14.467 -7.424 1.00 0.00 C ATOM 0 H LEU A 57 -2.817 16.993 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.745 15.368 -10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.915 17.658 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.352 16.913 -8.696 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.313 15.090 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.357 15.501 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.548 16.957 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.321 16.825 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.331 13.745 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.392 14.934 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.270 13.956 -8.377 1.00 0.00 H new ATOM 741 N SER A 58 -5.822 17.093 -11.670 1.00 0.00 N ATOM 742 CA SER A 58 -6.311 18.026 -12.761 1.00 0.00 C ATOM 743 C SER A 58 -7.200 19.154 -12.215 1.00 0.00 C ATOM 744 O SER A 58 -7.287 20.216 -12.808 1.00 0.00 O ATOM 745 CB SER A 58 -7.133 17.180 -13.751 1.00 0.00 C ATOM 746 OG SER A 58 -6.976 17.852 -14.992 1.00 0.00 O ATOM 0 H SER A 58 -6.268 16.176 -11.680 1.00 0.00 H new ATOM 0 HA SER A 58 -5.448 18.496 -13.233 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.764 16.156 -13.803 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.181 17.127 -13.456 1.00 0.00 H new ATOM 0 HG SER A 58 -7.472 17.373 -15.688 1.00 0.00 H new ATOM 752 N GLY A 59 -7.820 18.869 -11.097 1.00 0.00 N ATOM 753 CA GLY A 59 -8.733 19.827 -10.399 1.00 0.00 C ATOM 754 C GLY A 59 -9.277 19.114 -9.164 1.00 0.00 C ATOM 755 O GLY A 59 -9.404 19.710 -8.106 1.00 0.00 O ATOM 0 H GLY A 59 -7.726 17.972 -10.620 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.196 20.732 -10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.547 20.132 -11.057 1.00 0.00 H new ATOM 759 N GLY A 60 -9.570 17.839 -9.364 1.00 0.00 N ATOM 760 CA GLY A 60 -10.116 16.960 -8.276 1.00 0.00 C ATOM 761 C GLY A 60 -10.400 15.548 -8.822 1.00 0.00 C ATOM 762 O GLY A 60 -11.254 14.876 -8.278 1.00 0.00 O ATOM 0 H GLY A 60 -9.448 17.366 -10.259 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.403 16.903 -7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.032 17.393 -7.874 1.00 0.00 H new ATOM 766 N GLU A 61 -9.681 15.172 -9.907 1.00 0.00 N ATOM 767 CA GLU A 61 -9.809 13.812 -10.610 1.00 0.00 C ATOM 768 C GLU A 61 -8.395 13.394 -11.040 1.00 0.00 C ATOM 769 O GLU A 61 -7.538 14.259 -11.156 1.00 0.00 O ATOM 770 CB GLU A 61 -10.644 13.913 -11.946 1.00 0.00 C ATOM 771 CG GLU A 61 -11.997 14.664 -11.828 1.00 0.00 C ATOM 772 CD GLU A 61 -12.854 14.317 -13.047 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.610 14.932 -14.072 1.00 0.00 O ATOM 774 OE2 GLU A 61 -13.703 13.457 -12.883 1.00 0.00 O ATOM 0 H GLU A 61 -8.988 15.782 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.296 13.118 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.035 14.413 -12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.838 12.904 -12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.510 14.377 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.830 15.740 -11.777 1.00 0.00 H new ATOM 781 N GLY A 62 -8.190 12.092 -11.267 1.00 0.00 N ATOM 782 CA GLY A 62 -6.834 11.576 -11.697 1.00 0.00 C ATOM 783 C GLY A 62 -6.860 10.070 -12.001 1.00 0.00 C ATOM 784 O GLY A 62 -6.382 9.279 -11.203 1.00 0.00 O ATOM 0 H GLY A 62 -8.907 11.373 -11.171 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.504 12.119 -12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.105 11.775 -10.911 1.00 0.00 H new ATOM 788 N THR A 63 -7.392 9.747 -13.177 1.00 0.00 N ATOM 789 CA THR A 63 -7.510 8.320 -13.670 1.00 0.00 C ATOM 790 C THR A 63 -6.119 7.819 -14.112 1.00 0.00 C ATOM 791 O THR A 63 -5.297 8.637 -14.497 1.00 0.00 O ATOM 792 CB THR A 63 -8.450 8.382 -14.922 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.469 9.291 -14.553 1.00 0.00 O ATOM 794 CG2 THR A 63 -9.248 7.082 -15.254 1.00 0.00 C ATOM 0 H THR A 63 -7.759 10.438 -13.832 1.00 0.00 H new ATOM 0 HA THR A 63 -7.895 7.653 -12.899 1.00 0.00 H new ATOM 0 HB THR A 63 -7.813 8.613 -15.776 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.105 9.388 -15.293 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.862 7.248 -16.139 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.551 6.266 -15.443 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.889 6.823 -14.411 1.00 0.00 H new ATOM 802 N THR A 64 -5.893 6.493 -14.006 1.00 0.00 N ATOM 803 CA THR A 64 -4.553 5.870 -14.414 1.00 0.00 C ATOM 804 C THR A 64 -4.626 4.328 -14.613 1.00 0.00 C ATOM 805 O THR A 64 -5.279 3.646 -13.841 1.00 0.00 O ATOM 806 CB THR A 64 -3.424 6.215 -13.368 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.479 5.167 -13.462 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.830 6.171 -11.862 1.00 0.00 C ATOM 0 H THR A 64 -6.579 5.825 -13.656 1.00 0.00 H new ATOM 0 HA THR A 64 -4.306 6.311 -15.380 1.00 0.00 H new ATOM 0 HB THR A 64 -3.108 7.230 -13.610 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.747 5.329 -12.831 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.968 6.427 -11.245 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.632 6.887 -11.680 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.174 5.169 -11.607 1.00 0.00 H new ATOM 816 N SER A 65 -3.922 3.856 -15.663 1.00 0.00 N ATOM 817 CA SER A 65 -3.847 2.389 -16.044 1.00 0.00 C ATOM 818 C SER A 65 -2.655 1.718 -15.331 1.00 0.00 C ATOM 819 O SER A 65 -1.539 2.188 -15.501 1.00 0.00 O ATOM 820 CB SER A 65 -3.583 2.318 -17.561 1.00 0.00 C ATOM 821 OG SER A 65 -4.874 2.440 -18.140 1.00 0.00 O ATOM 0 H SER A 65 -3.383 4.461 -16.283 1.00 0.00 H new ATOM 0 HA SER A 65 -4.773 1.886 -15.764 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.921 3.119 -17.889 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.108 1.378 -17.840 1.00 0.00 H new ATOM 0 HG SER A 65 -4.799 2.406 -19.117 1.00 0.00 H new ATOM 827 N VAL A 66 -2.954 0.661 -14.546 1.00 0.00 N ATOM 828 CA VAL A 66 -1.919 -0.151 -13.746 1.00 0.00 C ATOM 829 C VAL A 66 -2.000 -1.617 -14.252 1.00 0.00 C ATOM 830 O VAL A 66 -3.070 -2.045 -14.662 1.00 0.00 O ATOM 831 CB VAL A 66 -2.273 -0.135 -12.155 1.00 0.00 C ATOM 832 CG1 VAL A 66 -0.993 -0.420 -11.220 1.00 0.00 C ATOM 833 CG2 VAL A 66 -3.000 1.215 -11.709 1.00 0.00 C ATOM 0 H VAL A 66 -3.908 0.320 -14.426 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.926 0.278 -13.884 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.970 -0.960 -12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.295 -0.396 -10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.581 -1.401 -11.456 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.236 0.344 -11.397 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.215 1.177 -10.641 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.350 2.065 -11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.932 1.326 -12.263 1.00 0.00 H new ATOM 843 N VAL A 67 -0.828 -2.291 -14.248 1.00 0.00 N ATOM 844 CA VAL A 67 -0.643 -3.746 -14.692 1.00 0.00 C ATOM 845 C VAL A 67 -0.239 -4.455 -13.376 1.00 0.00 C ATOM 846 O VAL A 67 0.715 -4.002 -12.761 1.00 0.00 O ATOM 847 CB VAL A 67 0.524 -3.804 -15.823 1.00 0.00 C ATOM 848 CG1 VAL A 67 1.162 -5.271 -16.031 1.00 0.00 C ATOM 849 CG2 VAL A 67 -0.016 -3.229 -17.215 1.00 0.00 C ATOM 0 H VAL A 67 0.043 -1.861 -13.938 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.518 -4.211 -15.145 1.00 0.00 H new ATOM 0 HB VAL A 67 1.332 -3.174 -15.451 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.932 -5.227 -16.801 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.604 -5.612 -15.095 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.381 -5.967 -16.338 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.778 -3.275 -17.960 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.864 -3.826 -17.551 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.330 -2.194 -17.084 1.00 0.00 H new ATOM 859 N VAL A 68 -1.004 -5.508 -12.986 1.00 0.00 N ATOM 860 CA VAL A 68 -0.742 -6.319 -11.705 1.00 0.00 C ATOM 861 C VAL A 68 -0.558 -7.841 -12.026 1.00 0.00 C ATOM 862 O VAL A 68 -1.365 -8.429 -12.731 1.00 0.00 O ATOM 863 CB VAL A 68 -1.917 -6.037 -10.603 1.00 0.00 C ATOM 864 CG1 VAL A 68 -2.082 -4.469 -10.328 1.00 0.00 C ATOM 865 CG2 VAL A 68 -3.336 -6.698 -10.956 1.00 0.00 C ATOM 0 H VAL A 68 -1.810 -5.836 -13.518 1.00 0.00 H new ATOM 0 HA VAL A 68 0.197 -5.988 -11.262 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.579 -6.535 -9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.870 -4.310 -9.592 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.143 -4.065 -9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.346 -3.963 -11.257 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.054 -6.459 -10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.694 -6.304 -11.907 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.225 -7.780 -11.030 1.00 0.00 H new ATOM 875 N ARG A 69 0.571 -8.384 -11.533 1.00 0.00 N ATOM 876 CA ARG A 69 0.973 -9.845 -11.709 1.00 0.00 C ATOM 877 C ARG A 69 0.399 -10.649 -10.522 1.00 0.00 C ATOM 878 O ARG A 69 0.091 -10.053 -9.501 1.00 0.00 O ATOM 879 CB ARG A 69 2.549 -9.914 -11.670 1.00 0.00 C ATOM 880 CG ARG A 69 3.270 -9.371 -12.985 1.00 0.00 C ATOM 881 CD ARG A 69 3.582 -10.458 -14.067 1.00 0.00 C ATOM 882 NE ARG A 69 3.914 -9.751 -15.337 1.00 0.00 N ATOM 883 CZ ARG A 69 4.725 -10.316 -16.190 1.00 0.00 C ATOM 884 NH1 ARG A 69 4.270 -11.269 -16.956 1.00 0.00 N ATOM 885 NH2 ARG A 69 5.963 -9.909 -16.246 1.00 0.00 N ATOM 0 H ARG A 69 1.250 -7.844 -10.996 1.00 0.00 H new ATOM 0 HA ARG A 69 0.597 -10.251 -12.648 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.904 -9.340 -10.814 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.850 -10.949 -11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.641 -8.603 -13.435 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.204 -8.889 -12.696 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.415 -11.086 -13.750 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.724 -11.115 -14.208 1.00 0.00 H new ATOM 0 HE ARG A 69 3.512 -8.835 -15.537 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.295 -11.561 -16.882 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.889 -11.722 -17.628 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.282 -9.162 -15.630 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.612 -10.338 -16.906 1.00 0.00 H new ATOM 899 N ARG A 70 0.283 -11.978 -10.692 1.00 0.00 N ATOM 900 CA ARG A 70 -0.264 -12.907 -9.616 1.00 0.00 C ATOM 901 C ARG A 70 0.717 -13.035 -8.409 1.00 0.00 C ATOM 902 O ARG A 70 0.259 -13.313 -7.311 1.00 0.00 O ATOM 903 CB ARG A 70 -0.440 -14.320 -10.298 1.00 0.00 C ATOM 904 CG ARG A 70 -1.579 -15.246 -9.659 1.00 0.00 C ATOM 905 CD ARG A 70 -1.407 -16.764 -9.986 1.00 0.00 C ATOM 906 NE ARG A 70 -1.141 -16.998 -11.439 1.00 0.00 N ATOM 907 CZ ARG A 70 -1.972 -17.726 -12.132 1.00 0.00 C ATOM 908 NH1 ARG A 70 -2.981 -17.144 -12.722 1.00 0.00 N ATOM 909 NH2 ARG A 70 -1.767 -19.012 -12.213 1.00 0.00 N ATOM 0 H ARG A 70 0.552 -12.458 -11.551 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.202 -12.514 -9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.665 -14.171 -11.354 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.510 -14.852 -10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.579 -15.114 -8.577 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.552 -14.913 -10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.585 -17.171 -9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.308 -17.303 -9.691 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.318 -16.592 -11.884 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.109 -16.136 -12.637 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.641 -17.698 -13.268 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.967 -19.432 -11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.406 -19.597 -12.750 1.00 0.00 H new ATOM 923 N SER A 71 2.019 -12.844 -8.682 1.00 0.00 N ATOM 924 CA SER A 71 3.137 -12.926 -7.642 1.00 0.00 C ATOM 925 C SER A 71 4.152 -11.813 -7.891 1.00 0.00 C ATOM 926 O SER A 71 4.330 -11.424 -9.027 1.00 0.00 O ATOM 927 CB SER A 71 3.863 -14.266 -7.825 1.00 0.00 C ATOM 928 OG SER A 71 2.916 -15.238 -7.412 1.00 0.00 O ATOM 0 H SER A 71 2.358 -12.627 -9.619 1.00 0.00 H new ATOM 0 HA SER A 71 2.714 -12.832 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.162 -14.418 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.770 -14.313 -7.222 1.00 0.00 H new ATOM 0 HG SER A 71 3.306 -16.133 -7.500 1.00 0.00 H new ATOM 934 N PHE A 72 4.762 -11.310 -6.808 1.00 0.00 N ATOM 935 CA PHE A 72 5.794 -10.195 -6.912 1.00 0.00 C ATOM 936 C PHE A 72 6.723 -10.175 -5.701 1.00 0.00 C ATOM 937 O PHE A 72 6.328 -10.571 -4.613 1.00 0.00 O ATOM 938 CB PHE A 72 5.068 -8.802 -7.060 1.00 0.00 C ATOM 939 CG PHE A 72 3.731 -8.694 -6.177 1.00 0.00 C ATOM 940 CD1 PHE A 72 3.773 -8.347 -4.795 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.435 -8.906 -6.732 1.00 0.00 C ATOM 942 CE1 PHE A 72 2.612 -8.231 -4.058 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.302 -8.778 -5.956 1.00 0.00 C ATOM 944 CZ PHE A 72 1.390 -8.443 -4.633 1.00 0.00 C ATOM 0 H PHE A 72 4.584 -11.630 -5.856 1.00 0.00 H new ATOM 0 HA PHE A 72 6.403 -10.384 -7.796 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.755 -8.008 -6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.819 -8.638 -8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.726 -8.173 -4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.339 -9.171 -7.775 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.670 -7.969 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.331 -8.945 -6.399 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.492 -8.346 -4.041 1.00 0.00 H new ATOM 954 N THR A 73 7.953 -9.737 -5.977 1.00 0.00 N ATOM 955 CA THR A 73 9.037 -9.621 -4.969 1.00 0.00 C ATOM 956 C THR A 73 8.676 -8.497 -3.961 1.00 0.00 C ATOM 957 O THR A 73 8.507 -7.347 -4.347 1.00 0.00 O ATOM 958 CB THR A 73 10.308 -9.303 -5.825 1.00 0.00 C ATOM 959 OG1 THR A 73 10.302 -10.338 -6.791 1.00 0.00 O ATOM 960 CG2 THR A 73 11.692 -9.516 -5.131 1.00 0.00 C ATOM 0 H THR A 73 8.239 -9.447 -6.912 1.00 0.00 H new ATOM 0 HA THR A 73 9.195 -10.513 -4.363 1.00 0.00 H new ATOM 0 HB THR A 73 10.240 -8.258 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.070 -10.230 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.491 -9.262 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.760 -8.876 -4.251 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.791 -10.559 -4.830 1.00 0.00 H new ATOM 968 N GLY A 74 8.519 -8.909 -2.699 1.00 0.00 N ATOM 969 CA GLY A 74 8.168 -7.963 -1.578 1.00 0.00 C ATOM 970 C GLY A 74 9.361 -7.053 -1.274 1.00 0.00 C ATOM 971 O GLY A 74 10.484 -7.492 -1.444 1.00 0.00 O ATOM 0 H GLY A 74 8.624 -9.880 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.302 -7.362 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.893 -8.527 -0.687 1.00 0.00 H new ATOM 975 N TYR A 75 9.065 -5.795 -0.898 1.00 0.00 N ATOM 976 CA TYR A 75 10.127 -4.759 -0.557 1.00 0.00 C ATOM 977 C TYR A 75 9.638 -3.905 0.636 1.00 0.00 C ATOM 978 O TYR A 75 8.520 -3.400 0.607 1.00 0.00 O ATOM 979 CB TYR A 75 10.390 -3.832 -1.811 1.00 0.00 C ATOM 980 CG TYR A 75 11.949 -3.527 -1.950 1.00 0.00 C ATOM 981 CD1 TYR A 75 12.577 -2.534 -1.155 1.00 0.00 C ATOM 982 CD2 TYR A 75 12.771 -4.193 -2.895 1.00 0.00 C ATOM 983 CE1 TYR A 75 13.915 -2.240 -1.313 1.00 0.00 C ATOM 984 CE2 TYR A 75 14.108 -3.866 -3.022 1.00 0.00 C ATOM 985 CZ TYR A 75 14.683 -2.898 -2.239 1.00 0.00 C ATOM 986 OH TYR A 75 16.021 -2.590 -2.380 1.00 0.00 O ATOM 0 H TYR A 75 8.110 -5.447 -0.815 1.00 0.00 H new ATOM 0 HA TYR A 75 11.056 -5.261 -0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.025 -4.318 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.837 -2.899 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.999 -2.000 -0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 75 12.348 -4.964 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 75 14.366 -1.477 -0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 75 14.712 -4.383 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 75 16.414 -3.152 -3.080 1.00 0.00 H new ATOM 996 N VAL A 76 10.482 -3.882 1.688 1.00 0.00 N ATOM 997 CA VAL A 76 10.237 -3.114 2.977 1.00 0.00 C ATOM 998 C VAL A 76 11.332 -1.992 2.912 1.00 0.00 C ATOM 999 O VAL A 76 12.506 -2.214 3.188 1.00 0.00 O ATOM 1000 CB VAL A 76 10.341 -4.115 4.265 1.00 0.00 C ATOM 1001 CG1 VAL A 76 9.706 -3.451 5.574 1.00 0.00 C ATOM 1002 CG2 VAL A 76 9.650 -5.525 3.959 1.00 0.00 C ATOM 0 H VAL A 76 11.365 -4.392 1.691 1.00 0.00 H new ATOM 0 HA VAL A 76 9.243 -2.680 3.086 1.00 0.00 H new ATOM 0 HB VAL A 76 11.400 -4.288 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.792 -4.143 6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.238 -2.529 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.654 -3.227 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.735 -6.169 4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.597 -5.371 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.146 -5.997 3.111 1.00 0.00 H new ATOM 1055 N GLY A 80 14.254 -3.123 5.855 1.00 0.00 N ATOM 1056 CA GLY A 80 15.011 -3.983 4.851 1.00 0.00 C ATOM 1057 C GLY A 80 15.817 -5.122 5.606 1.00 0.00 C ATOM 1058 O GLY A 80 15.583 -5.266 6.799 1.00 0.00 O ATOM 0 HA2 GLY A 80 14.312 -4.429 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.697 -3.363 4.274 1.00 0.00 H new ATOM 1062 N PRO A 81 16.661 -6.018 4.944 1.00 0.00 N ATOM 1063 CA PRO A 81 16.884 -6.209 3.442 1.00 0.00 C ATOM 1064 C PRO A 81 15.674 -6.864 2.724 1.00 0.00 C ATOM 1065 O PRO A 81 14.714 -7.235 3.384 1.00 0.00 O ATOM 1066 CB PRO A 81 18.091 -7.199 3.362 1.00 0.00 C ATOM 1067 CG PRO A 81 18.595 -7.471 4.781 1.00 0.00 C ATOM 1068 CD PRO A 81 17.588 -6.882 5.760 1.00 0.00 C ATOM 0 HA PRO A 81 17.043 -5.245 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.786 -8.130 2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.889 -6.774 2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.706 -8.543 4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.577 -7.022 4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 81 17.036 -7.670 6.271 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.091 -6.295 6.529 1.00 0.00 H new ATOM 1076 N GLU A 82 15.760 -6.924 1.382 1.00 0.00 N ATOM 1077 CA GLU A 82 14.688 -7.528 0.499 1.00 0.00 C ATOM 1078 C GLU A 82 14.498 -9.040 0.838 1.00 0.00 C ATOM 1079 O GLU A 82 15.482 -9.764 0.929 1.00 0.00 O ATOM 1080 CB GLU A 82 15.223 -7.322 -0.970 1.00 0.00 C ATOM 1081 CG GLU A 82 14.325 -7.871 -2.136 1.00 0.00 C ATOM 1082 CD GLU A 82 14.946 -9.148 -2.721 1.00 0.00 C ATOM 1083 OE1 GLU A 82 14.619 -10.201 -2.206 1.00 0.00 O ATOM 1084 OE2 GLU A 82 15.706 -8.994 -3.665 1.00 0.00 O ATOM 0 H GLU A 82 16.560 -6.564 0.861 1.00 0.00 H new ATOM 0 HA GLU A 82 13.711 -7.065 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.372 -6.254 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.202 -7.795 -1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.322 -8.082 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 82 14.225 -7.116 -2.915 1.00 0.00 H new ATOM 1091 N VAL A 83 13.218 -9.436 0.972 1.00 0.00 N ATOM 1092 CA VAL A 83 12.808 -10.861 1.306 1.00 0.00 C ATOM 1093 C VAL A 83 12.849 -11.782 0.042 1.00 0.00 C ATOM 1094 O VAL A 83 13.893 -12.380 -0.167 1.00 0.00 O ATOM 1095 CB VAL A 83 11.375 -10.869 2.088 1.00 0.00 C ATOM 1096 CG1 VAL A 83 11.575 -10.699 3.670 1.00 0.00 C ATOM 1097 CG2 VAL A 83 10.329 -9.781 1.539 1.00 0.00 C ATOM 0 H VAL A 83 12.427 -8.802 0.858 1.00 0.00 H new ATOM 0 HA VAL A 83 13.537 -11.292 1.993 1.00 0.00 H new ATOM 0 HB VAL A 83 10.939 -11.847 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.603 -10.708 4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.182 -11.520 4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.076 -9.753 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.402 -9.848 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.751 -8.782 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.123 -9.973 0.486 1.00 0.00 H new ATOM 1107 N GLY A 84 11.797 -11.852 -0.786 1.00 0.00 N ATOM 1108 CA GLY A 84 11.798 -12.728 -2.008 1.00 0.00 C ATOM 1109 C GLY A 84 10.372 -12.896 -2.531 1.00 0.00 C ATOM 1110 O GLY A 84 9.455 -12.235 -2.069 1.00 0.00 O ATOM 0 H GLY A 84 10.934 -11.325 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.428 -12.288 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.223 -13.702 -1.767 1.00 0.00 H new ATOM 1114 N ALA A 85 10.269 -13.794 -3.488 1.00 0.00 N ATOM 1115 CA ALA A 85 8.973 -14.149 -4.170 1.00 0.00 C ATOM 1116 C ALA A 85 7.965 -14.820 -3.220 1.00 0.00 C ATOM 1117 O ALA A 85 8.278 -15.865 -2.662 1.00 0.00 O ATOM 1118 CB ALA A 85 9.309 -15.145 -5.296 1.00 0.00 C ATOM 0 H ALA A 85 11.069 -14.320 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 85 8.514 -13.231 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.394 -15.428 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.998 -14.679 -6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.773 -16.034 -4.869 1.00 0.00 H new ATOM 1124 N VAL A 86 6.822 -14.125 -3.020 1.00 0.00 N ATOM 1125 CA VAL A 86 5.680 -14.587 -2.131 1.00 0.00 C ATOM 1126 C VAL A 86 4.355 -14.398 -2.920 1.00 0.00 C ATOM 1127 O VAL A 86 4.178 -13.388 -3.587 1.00 0.00 O ATOM 1128 CB VAL A 86 5.736 -13.784 -0.717 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.340 -12.235 -0.806 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.941 -14.537 0.446 1.00 0.00 C ATOM 0 H VAL A 86 6.645 -13.223 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 86 5.757 -15.643 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 86 6.793 -13.787 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.407 -11.785 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.023 -11.723 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.320 -12.141 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.010 -13.959 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.894 -14.643 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.376 -15.524 0.604 1.00 0.00 H new ATOM 1140 N ASP A 87 3.496 -15.409 -2.812 1.00 0.00 N ATOM 1141 CA ASP A 87 2.150 -15.420 -3.502 1.00 0.00 C ATOM 1142 C ASP A 87 1.125 -14.709 -2.620 1.00 0.00 C ATOM 1143 O ASP A 87 1.207 -14.815 -1.409 1.00 0.00 O ATOM 1144 CB ASP A 87 1.701 -16.891 -3.667 1.00 0.00 C ATOM 1145 CG ASP A 87 1.962 -17.342 -5.105 1.00 0.00 C ATOM 1146 OD1 ASP A 87 3.094 -17.722 -5.355 1.00 0.00 O ATOM 1147 OD2 ASP A 87 1.015 -17.280 -5.872 1.00 0.00 O ATOM 0 H ASP A 87 3.682 -16.246 -2.259 1.00 0.00 H new ATOM 0 HA ASP A 87 2.224 -14.921 -4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.244 -17.529 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.642 -16.988 -3.430 1.00 0.00 H new ATOM 1152 N CYS A 88 0.184 -14.027 -3.260 1.00 0.00 N ATOM 1153 CA CYS A 88 -0.901 -13.267 -2.531 1.00 0.00 C ATOM 1154 C CYS A 88 -2.026 -14.196 -2.030 1.00 0.00 C ATOM 1155 O CYS A 88 -2.716 -13.848 -1.088 1.00 0.00 O ATOM 1156 CB CYS A 88 -1.514 -12.259 -3.521 1.00 0.00 C ATOM 1157 SG CYS A 88 -1.815 -10.592 -2.898 1.00 0.00 S ATOM 0 H CYS A 88 0.124 -13.966 -4.276 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.457 -12.779 -1.664 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.853 -12.185 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -2.461 -12.665 -3.878 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.154 -15.355 -2.672 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.207 -16.378 -2.313 1.00 0.00 C ATOM 1164 C ASP A 89 -2.899 -17.191 -1.043 1.00 0.00 C ATOM 1165 O ASP A 89 -3.825 -17.553 -0.334 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.260 -17.375 -3.480 1.00 0.00 C ATOM 1167 CG ASP A 89 -3.922 -16.710 -4.690 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -3.189 -16.068 -5.424 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -5.124 -16.886 -4.815 1.00 0.00 O ATOM 0 H ASP A 89 -1.554 -15.635 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.136 -15.839 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.253 -17.703 -3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.820 -18.263 -3.188 1.00 0.00 H new ATOM 1174 N THR A 90 -1.610 -17.393 -0.769 1.00 0.00 N ATOM 1175 CA THR A 90 -1.144 -18.189 0.449 1.00 0.00 C ATOM 1176 C THR A 90 -1.184 -17.360 1.750 1.00 0.00 C ATOM 1177 O THR A 90 -1.234 -17.954 2.827 1.00 0.00 O ATOM 1178 CB THR A 90 0.345 -18.637 0.219 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.986 -17.525 -0.355 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.542 -19.772 -0.837 1.00 0.00 C ATOM 0 H THR A 90 -0.849 -17.035 -1.346 1.00 0.00 H new ATOM 0 HA THR A 90 -1.820 -19.037 0.559 1.00 0.00 H new ATOM 0 HB THR A 90 0.719 -18.995 1.178 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.927 -17.741 -0.523 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.602 -20.009 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.004 -20.661 -0.522 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.165 -19.439 -1.804 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.237 -16.021 1.617 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.276 -15.093 2.835 1.00 0.00 C ATOM 1190 C ALA A 91 -2.636 -15.251 3.656 1.00 0.00 C ATOM 1191 O ALA A 91 -3.602 -15.643 3.015 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.177 -13.633 2.335 1.00 0.00 C ATOM 0 H ALA A 91 -1.255 -15.538 0.719 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.446 -15.353 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.203 -12.954 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.242 -13.497 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.016 -13.417 1.674 1.00 0.00 H new ATOM 1198 N PRO A 92 -2.764 -14.910 5.015 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.074 -15.090 5.745 1.00 0.00 C ATOM 1200 C PRO A 92 -5.163 -14.069 5.373 1.00 0.00 C ATOM 1201 O PRO A 92 -6.300 -14.471 5.184 1.00 0.00 O ATOM 1202 CB PRO A 92 -3.720 -14.883 7.229 1.00 0.00 C ATOM 1203 CG PRO A 92 -2.418 -14.080 7.273 1.00 0.00 C ATOM 1204 CD PRO A 92 -1.716 -14.293 5.929 1.00 0.00 C ATOM 0 HA PRO A 92 -4.488 -16.066 5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.519 -14.350 7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.599 -15.842 7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.623 -13.022 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.786 -14.415 8.096 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.349 -13.350 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.853 -14.951 6.037 1.00 0.00 H new ATOM 1212 N GLY A 93 -4.776 -12.794 5.256 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.737 -11.691 4.905 1.00 0.00 C ATOM 1214 C GLY A 93 -6.123 -11.729 3.424 1.00 0.00 C ATOM 1215 O GLY A 93 -6.879 -12.590 3.005 1.00 0.00 O ATOM 0 H GLY A 93 -3.815 -12.481 5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.634 -11.781 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.286 -10.727 5.139 1.00 0.00 H new ATOM 1219 N GLY A 94 -5.551 -10.800 2.679 1.00 0.00 N ATOM 1220 CA GLY A 94 -5.821 -10.689 1.205 1.00 0.00 C ATOM 1221 C GLY A 94 -5.224 -9.388 0.670 1.00 0.00 C ATOM 1222 O GLY A 94 -4.986 -8.470 1.440 1.00 0.00 O ATOM 0 H GLY A 94 -4.898 -10.104 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.389 -11.542 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.895 -10.711 1.019 1.00 0.00 H new ATOM 1226 N CYS A 95 -5.051 -9.359 -0.645 1.00 0.00 N ATOM 1227 CA CYS A 95 -4.474 -8.158 -1.363 1.00 0.00 C ATOM 1228 C CYS A 95 -5.574 -7.083 -1.450 1.00 0.00 C ATOM 1229 O CYS A 95 -6.737 -7.449 -1.589 1.00 0.00 O ATOM 1230 CB CYS A 95 -4.059 -8.585 -2.801 1.00 0.00 C ATOM 1231 SG CYS A 95 -3.796 -10.339 -3.161 1.00 0.00 S ATOM 0 H CYS A 95 -5.291 -10.135 -1.262 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.605 -7.770 -0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.826 -8.221 -3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.137 -8.058 -3.046 1.00 0.00 H new ATOM 1236 N GLU A 96 -5.176 -5.805 -1.320 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.131 -4.607 -1.379 1.00 0.00 C ATOM 1238 C GLU A 96 -5.407 -3.391 -1.995 1.00 0.00 C ATOM 1239 O GLU A 96 -4.291 -3.097 -1.578 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.488 -4.153 0.089 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.743 -4.811 0.726 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.663 -4.617 2.242 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -8.000 -3.526 2.669 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -7.268 -5.574 2.889 1.00 0.00 O ATOM 0 H GLU A 96 -4.202 -5.541 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.007 -4.905 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.631 -4.360 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.631 -3.072 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.652 -4.357 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.783 -5.872 0.480 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.072 -2.728 -2.967 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.502 -1.507 -3.664 1.00 0.00 C ATOM 1253 C ILE A 97 -5.786 -0.394 -2.636 1.00 0.00 C ATOM 1254 O ILE A 97 -6.851 -0.414 -2.043 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.265 -1.194 -5.057 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.680 -2.489 -5.925 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -5.464 -0.108 -5.958 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.612 -3.622 -6.128 1.00 0.00 C ATOM 0 H ILE A 97 -6.998 -2.999 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.452 -1.620 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.213 -0.756 -4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.555 -2.938 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.989 -2.143 -6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.012 0.072 -6.883 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.370 0.826 -5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.471 -0.492 -6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.041 -4.422 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.739 -3.212 -6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.314 -4.019 -5.158 1.00 0.00 H new ATOM 1270 N VAL A 98 -4.773 0.458 -2.390 1.00 0.00 N ATOM 1271 CA VAL A 98 -4.858 1.621 -1.408 1.00 0.00 C ATOM 1272 C VAL A 98 -4.557 2.880 -2.249 1.00 0.00 C ATOM 1273 O VAL A 98 -3.579 2.887 -2.977 1.00 0.00 O ATOM 1274 CB VAL A 98 -3.760 1.420 -0.223 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -3.549 2.739 0.689 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.126 0.167 0.709 1.00 0.00 C ATOM 0 H VAL A 98 -3.866 0.384 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.831 1.695 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.816 1.227 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.804 2.534 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.207 3.563 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.493 3.010 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.372 0.062 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.102 0.327 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.152 -0.740 0.105 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.452 3.867 -2.115 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.395 5.220 -2.828 1.00 0.00 C ATOM 1288 C VAL A 99 -5.562 6.249 -1.675 1.00 0.00 C ATOM 1289 O VAL A 99 -6.342 6.009 -0.762 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.610 5.399 -3.900 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.335 6.586 -4.950 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.939 4.042 -4.671 1.00 0.00 C ATOM 0 H VAL A 99 -6.264 3.780 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.473 5.336 -3.398 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.485 5.673 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.175 6.662 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.220 7.528 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.423 6.374 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.755 4.211 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.055 3.709 -5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.233 3.277 -3.952 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.810 7.347 -1.742 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.884 8.419 -0.678 1.00 0.00 C ATOM 1304 C GLY A 100 -3.791 9.471 -0.903 1.00 0.00 C ATOM 1305 O GLY A 100 -3.494 9.815 -2.035 1.00 0.00 O ATOM 0 H GLY A 100 -4.148 7.541 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.865 8.894 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.768 7.970 0.308 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.263 9.976 0.205 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.177 11.014 0.173 1.00 0.00 C ATOM 1311 C GLY A 101 -1.663 11.231 1.598 1.00 0.00 C ATOM 1312 O GLY A 101 -1.947 10.421 2.467 1.00 0.00 O ATOM 0 H GLY A 101 -3.550 9.702 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.364 10.690 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.560 11.949 -0.237 1.00 0.00 H new ATOM 1316 N ASN A 102 -0.960 12.346 1.793 1.00 0.00 N ATOM 1317 CA ASN A 102 -0.373 12.713 3.144 1.00 0.00 C ATOM 1318 C ASN A 102 -1.427 13.144 4.196 1.00 0.00 C ATOM 1319 O ASN A 102 -1.103 13.133 5.372 1.00 0.00 O ATOM 1320 CB ASN A 102 0.658 13.849 2.928 1.00 0.00 C ATOM 1321 CG ASN A 102 -0.018 15.200 2.659 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -0.835 15.339 1.770 1.00 0.00 O ATOM 1323 ND2 ASN A 102 0.300 16.227 3.402 1.00 0.00 N ATOM 0 H ASN A 102 -0.767 13.026 1.058 1.00 0.00 H new ATOM 0 HA ASN A 102 0.094 11.817 3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.295 13.932 3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.306 13.595 2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -0.136 17.133 3.233 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.984 16.122 4.151 1.00 0.00 H new ATOM 1330 N THR A 103 -2.635 13.521 3.723 1.00 0.00 N ATOM 1331 CA THR A 103 -3.812 13.977 4.590 1.00 0.00 C ATOM 1332 C THR A 103 -5.062 13.137 4.226 1.00 0.00 C ATOM 1333 O THR A 103 -6.017 13.100 4.992 1.00 0.00 O ATOM 1334 CB THR A 103 -4.144 15.467 4.263 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.242 15.485 2.864 1.00 0.00 O ATOM 1336 CG2 THR A 103 -3.022 16.511 4.537 1.00 0.00 C ATOM 0 H THR A 103 -2.851 13.528 2.726 1.00 0.00 H new ATOM 0 HA THR A 103 -3.551 13.858 5.642 1.00 0.00 H new ATOM 0 HB THR A 103 -5.005 15.737 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.401 16.403 2.559 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.377 17.506 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.758 16.493 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.144 16.266 3.940 1.00 0.00 H new ATOM 1344 N GLY A 104 -4.988 12.416 3.094 1.00 0.00 N ATOM 1345 CA GLY A 104 -6.128 11.538 2.593 1.00 0.00 C ATOM 1346 C GLY A 104 -6.394 10.276 3.461 1.00 0.00 C ATOM 1347 O GLY A 104 -7.414 9.642 3.278 1.00 0.00 O ATOM 0 H GLY A 104 -4.165 12.405 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.039 12.135 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.907 11.223 1.573 1.00 0.00 H new ATOM 1351 N GLU A 105 -5.461 9.969 4.366 1.00 0.00 N ATOM 1352 CA GLU A 105 -5.508 8.783 5.326 1.00 0.00 C ATOM 1353 C GLU A 105 -5.509 7.407 4.630 1.00 0.00 C ATOM 1354 O GLU A 105 -4.440 6.837 4.493 1.00 0.00 O ATOM 1355 CB GLU A 105 -6.646 8.873 6.458 1.00 0.00 C ATOM 1356 CG GLU A 105 -6.414 10.021 7.485 1.00 0.00 C ATOM 1357 CD GLU A 105 -7.744 10.314 8.183 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -8.059 9.559 9.088 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -8.369 11.279 7.773 1.00 0.00 O ATOM 0 H GLU A 105 -4.618 10.531 4.481 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.558 8.866 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.614 9.016 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.692 7.923 6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.658 9.731 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.045 10.914 6.980 1.00 0.00 H new ATOM 1366 N TYR A 106 -6.687 6.928 4.236 1.00 0.00 N ATOM 1367 CA TYR A 106 -6.855 5.584 3.541 1.00 0.00 C ATOM 1368 C TYR A 106 -8.110 5.584 2.637 1.00 0.00 C ATOM 1369 O TYR A 106 -8.998 6.399 2.828 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.065 4.507 4.672 1.00 0.00 C ATOM 1371 CG TYR A 106 -5.723 3.712 5.014 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -5.335 2.568 4.273 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -4.895 4.061 6.113 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -4.217 1.839 4.624 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -3.784 3.306 6.430 1.00 0.00 C ATOM 1376 CZ TYR A 106 -3.440 2.200 5.695 1.00 0.00 C ATOM 1377 OH TYR A 106 -2.325 1.460 6.029 1.00 0.00 O ATOM 0 H TYR A 106 -7.565 7.429 4.372 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.981 5.375 2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.433 4.998 5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.833 3.800 4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -5.923 2.262 3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.138 4.929 6.709 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -3.949 0.968 4.045 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.173 3.592 7.274 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.891 1.858 6.813 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.091 4.677 1.647 1.00 0.00 N ATOM 1388 CA GLY A 107 -9.209 4.493 0.646 1.00 0.00 C ATOM 1389 C GLY A 107 -9.091 3.070 0.080 1.00 0.00 C ATOM 1390 O GLY A 107 -8.770 2.890 -1.083 1.00 0.00 O ATOM 0 H GLY A 107 -7.309 4.039 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.178 4.637 1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.134 5.231 -0.153 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.362 2.115 0.964 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.307 0.641 0.640 1.00 0.00 C ATOM 1396 C ASN A 108 -10.360 0.175 -0.394 1.00 0.00 C ATOM 1397 O ASN A 108 -11.399 0.803 -0.523 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.536 -0.132 1.970 1.00 0.00 C ATOM 1399 CG ASN A 108 -10.861 0.274 2.644 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -10.937 1.257 3.358 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -11.922 -0.468 2.464 1.00 0.00 N ATOM 0 H ASN A 108 -9.628 2.310 1.929 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.335 0.441 0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -9.542 -1.204 1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.707 0.062 2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.801 -0.221 2.919 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.871 -1.294 1.868 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.000 -0.887 -1.147 1.00 0.00 N ATOM 1409 CA ALA A 109 -10.903 -1.498 -2.215 1.00 0.00 C ATOM 1410 C ALA A 109 -10.426 -2.945 -2.538 1.00 0.00 C ATOM 1411 O ALA A 109 -9.432 -3.139 -3.223 1.00 0.00 O ATOM 1412 CB ALA A 109 -10.859 -0.621 -3.498 1.00 0.00 C ATOM 0 H ALA A 109 -9.099 -1.356 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 109 -11.928 -1.537 -1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.504 -1.058 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.206 0.385 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.836 -0.574 -3.872 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.153 -3.923 -1.983 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.850 -5.399 -2.174 1.00 0.00 C ATOM 1420 C ALA A 110 -11.125 -5.923 -3.594 1.00 0.00 C ATOM 1421 O ALA A 110 -11.821 -5.279 -4.364 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.765 -6.175 -1.212 1.00 0.00 C ATOM 0 H ALA A 110 -11.964 -3.746 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.785 -5.537 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.580 -7.244 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.558 -5.869 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.807 -5.962 -1.450 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.508 -7.098 -3.861 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.584 -7.879 -5.183 1.00 0.00 C ATOM 1430 C ILE A 111 -10.912 -9.356 -4.828 1.00 0.00 C ATOM 1431 O ILE A 111 -10.903 -9.678 -3.652 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.179 -7.748 -6.010 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -7.862 -8.431 -5.276 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -8.884 -6.196 -6.339 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -7.422 -9.833 -5.830 1.00 0.00 C ATOM 0 H ILE A 111 -9.923 -7.565 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.361 -7.475 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.326 -8.323 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.021 -7.744 -5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.075 -8.532 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.947 -6.113 -6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.697 -5.791 -6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -8.808 -5.635 -5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.551 -10.186 -5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.240 -10.544 -5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.169 -9.744 -6.887 1.00 0.00 H new ATOM 1447 N SER A 112 -11.215 -10.189 -5.850 1.00 0.00 N ATOM 1448 CA SER A 112 -11.551 -11.658 -5.642 1.00 0.00 C ATOM 1449 C SER A 112 -11.386 -12.439 -6.959 1.00 0.00 C ATOM 1450 O SER A 112 -12.001 -12.080 -7.948 1.00 0.00 O ATOM 1451 CB SER A 112 -13.027 -11.782 -5.209 1.00 0.00 C ATOM 1452 OG SER A 112 -12.999 -11.698 -3.793 1.00 0.00 O ATOM 0 H SER A 112 -11.240 -9.894 -6.826 1.00 0.00 H new ATOM 0 HA SER A 112 -10.881 -12.061 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.634 -10.986 -5.640 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.458 -12.727 -5.541 1.00 0.00 H new ATOM 0 HG SER A 112 -12.314 -11.054 -3.517 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.559 -13.495 -6.920 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.293 -14.363 -8.134 1.00 0.00 C ATOM 1460 C PHE A 113 -11.514 -15.237 -8.457 1.00 0.00 C ATOM 1461 O PHE A 113 -12.326 -15.504 -7.581 1.00 0.00 O ATOM 1462 CB PHE A 113 -9.118 -15.320 -7.803 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.907 -14.534 -7.131 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -6.999 -13.781 -7.920 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.646 -14.586 -5.732 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -5.919 -13.148 -7.344 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -6.553 -13.937 -5.197 1.00 0.00 C ATOM 1468 CZ PHE A 113 -5.698 -13.225 -5.995 1.00 0.00 C ATOM 0 H PHE A 113 -10.056 -13.787 -6.082 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.068 -13.716 -8.982 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.463 -16.105 -7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.776 -15.809 -8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.156 -13.703 -8.986 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.310 -15.139 -5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.238 -12.584 -7.964 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.369 -13.991 -4.134 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.847 -12.723 -5.559 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.595 -15.656 -9.711 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.731 -16.521 -10.191 1.00 0.00 C ATOM 1480 C GLY A 114 -12.551 -16.833 -11.677 1.00 0.00 C ATOM 1481 O GLY A 114 -13.570 -17.052 -12.311 1.00 0.00 O ATOM 1482 OXT GLY A 114 -11.405 -16.836 -12.096 1.00 0.00 O ATOM 0 H GLY A 114 -10.908 -15.429 -10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.763 -17.447 -9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.681 -16.012 -10.029 1.00 0.00 H new