USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 703 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 23 SER OG : rot -81:sc= 0.588 USER MOD Set 1.2: A 24 THR OG1 : rot 94:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.15 (180deg=-0.164) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0839 USER MOD Single : A 4 ASN : amide:sc= -0.774 K(o=-0.77,f=0) USER MOD Single : A 6 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.68) USER MOD Single : A 8 CYS SG : rot -27:sc= -1.09! USER MOD Single : A 9 SER OG : rot 180:sc= -0.133 USER MOD Single : A 13 GLN : amide:sc= -0.879 K(o=-0.88,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= -0.0232 (180deg=-0.244) USER MOD Single : A 16 SER OG : rot 118:sc= 1.29 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00321 USER MOD Single : A 25 GLN : amide:sc= -0.925 K(o=-0.92,f=-0.021) USER MOD Single : A 27 ASN : amide:sc= 0.864 K(o=0.86,f=-7.8!) USER MOD Single : A 32 CYS SG : rot 180:sc= -1.72 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -93:sc= 1.27 USER MOD Single : A 43 GLN : amide:sc= -0.911 K(o=-0.91,f=0) USER MOD Single : A 53 SER OG : rot 147:sc= 1.15 USER MOD Single : A 55 THR OG1 : rot 22:sc= 1.37 USER MOD Single : A 58 GLN : amide:sc= -0.897 K(o=-0.9,f=0) USER MOD Single : A 59 THR OG1 : rot 77:sc= 0.524 USER MOD Single : A 62 SER OG : rot -103:sc= 0.408 USER MOD Single : A 65 ASN : amide:sc= 1.18 K(o=1.2,f=-0.071) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= 0.416 K(o=0.42,f=-1.6) USER MOD Single : A 78 GLN : amide:sc= -0.666 K(o=-0.67,f=-2.1) USER MOD Single : A 79 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.066) USER MOD Single : A 82 GLN : amide:sc= -0.875 K(o=-0.87,f=-0.16) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -85:sc= 0.0142 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 95 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=-0.0013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 84.470 21.565 2.908 1.00 0.00 N ATOM 2 CA MET A 1 84.211 22.087 1.568 1.00 0.00 C ATOM 3 C MET A 1 83.229 21.195 0.839 1.00 0.00 C ATOM 4 O MET A 1 82.773 20.182 1.399 1.00 0.00 O ATOM 5 CB MET A 1 85.510 22.275 0.780 1.00 0.00 C ATOM 6 CG MET A 1 86.396 23.377 1.336 1.00 0.00 C ATOM 7 SD MET A 1 87.955 23.539 0.453 1.00 0.00 S ATOM 8 CE MET A 1 88.712 24.888 1.365 1.00 0.00 C ATOM 0 H1 MET A 1 84.209 22.281 3.616 1.00 0.00 H new ATOM 0 H2 MET A 1 83.905 20.705 3.061 1.00 0.00 H new ATOM 0 H3 MET A 1 85.480 21.337 3.002 1.00 0.00 H new ATOM 0 HA MET A 1 83.759 23.074 1.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 86.066 21.337 0.780 1.00 0.00 H new ATOM 0 HB3 MET A 1 85.267 22.502 -0.258 1.00 0.00 H new ATOM 0 HG2 MET A 1 85.859 24.325 1.291 1.00 0.00 H new ATOM 0 HG3 MET A 1 86.600 23.176 2.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 89.690 25.111 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 1 88.078 25.772 1.300 1.00 0.00 H new ATOM 0 HE3 MET A 1 88.828 24.601 2.410 1.00 0.00 H new ATOM 20 N HIS A 2 82.884 21.556 -0.385 1.00 0.00 N ATOM 21 CA HIS A 2 81.896 20.814 -1.148 1.00 0.00 C ATOM 22 C HIS A 2 82.511 19.590 -1.797 1.00 0.00 C ATOM 23 O HIS A 2 83.107 19.664 -2.877 1.00 0.00 O ATOM 24 CB HIS A 2 81.206 21.700 -2.198 1.00 0.00 C ATOM 25 CG HIS A 2 80.466 22.868 -1.618 1.00 0.00 C ATOM 26 ND1 HIS A 2 80.942 24.160 -1.641 1.00 0.00 N ATOM 27 CD2 HIS A 2 79.263 22.921 -0.989 1.00 0.00 C ATOM 28 CE1 HIS A 2 80.046 24.947 -1.039 1.00 0.00 C ATOM 29 NE2 HIS A 2 78.996 24.242 -0.620 1.00 0.00 N ATOM 0 H HIS A 2 83.275 22.362 -0.873 1.00 0.00 H new ATOM 0 HA HIS A 2 81.132 20.479 -0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 2 81.957 22.069 -2.897 1.00 0.00 H new ATOM 0 HB3 HIS A 2 80.509 21.090 -2.772 1.00 0.00 H new ATOM 0 HD2 HIS A 2 78.616 22.076 -0.804 1.00 0.00 H new ATOM 0 HE1 HIS A 2 80.158 26.013 -0.909 1.00 0.00 H new ATOM 0 HE2 HIS A 2 78.171 24.593 -0.133 1.00 0.00 H new ATOM 37 N THR A 3 82.403 18.490 -1.111 1.00 0.00 N ATOM 38 CA THR A 3 82.901 17.234 -1.569 1.00 0.00 C ATOM 39 C THR A 3 81.871 16.544 -2.437 1.00 0.00 C ATOM 40 O THR A 3 80.657 16.697 -2.225 1.00 0.00 O ATOM 41 CB THR A 3 83.253 16.353 -0.367 1.00 0.00 C ATOM 42 OG1 THR A 3 82.230 16.499 0.650 1.00 0.00 O ATOM 43 CG2 THR A 3 84.604 16.736 0.204 1.00 0.00 C ATOM 0 H THR A 3 81.955 18.444 -0.196 1.00 0.00 H new ATOM 0 HA THR A 3 83.797 17.403 -2.166 1.00 0.00 H new ATOM 0 HB THR A 3 83.302 15.315 -0.695 1.00 0.00 H new ATOM 0 HG1 THR A 3 82.452 15.935 1.420 1.00 0.00 H new ATOM 0 HG21 THR A 3 84.833 16.097 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 3 85.371 16.610 -0.560 1.00 0.00 H new ATOM 0 HG23 THR A 3 84.581 17.777 0.527 1.00 0.00 H new ATOM 51 N ASN A 4 82.331 15.824 -3.411 1.00 0.00 N ATOM 52 CA ASN A 4 81.449 15.109 -4.292 1.00 0.00 C ATOM 53 C ASN A 4 81.244 13.727 -3.757 1.00 0.00 C ATOM 54 O ASN A 4 82.202 12.975 -3.536 1.00 0.00 O ATOM 55 CB ASN A 4 81.999 15.058 -5.719 1.00 0.00 C ATOM 56 CG ASN A 4 82.149 16.430 -6.366 1.00 0.00 C ATOM 57 OD1 ASN A 4 83.061 16.654 -7.163 1.00 0.00 O ATOM 58 ND2 ASN A 4 81.255 17.348 -6.062 1.00 0.00 N ATOM 0 H ASN A 4 83.323 15.712 -3.621 1.00 0.00 H new ATOM 0 HA ASN A 4 80.495 15.634 -4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 4 82.970 14.563 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 4 81.337 14.447 -6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 4 81.307 18.272 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 4 80.510 17.135 -5.398 1.00 0.00 H new ATOM 65 N TRP A 5 80.025 13.408 -3.515 1.00 0.00 N ATOM 66 CA TRP A 5 79.664 12.142 -2.980 1.00 0.00 C ATOM 67 C TRP A 5 78.562 11.547 -3.816 1.00 0.00 C ATOM 68 O TRP A 5 77.724 12.281 -4.363 1.00 0.00 O ATOM 69 CB TRP A 5 79.331 12.237 -1.469 1.00 0.00 C ATOM 70 CG TRP A 5 78.248 13.210 -1.060 1.00 0.00 C ATOM 71 CD1 TRP A 5 78.010 14.466 -1.547 1.00 0.00 C ATOM 72 CD2 TRP A 5 77.312 13.017 -0.007 1.00 0.00 C ATOM 73 NE1 TRP A 5 76.951 15.028 -0.903 1.00 0.00 N ATOM 74 CE2 TRP A 5 76.509 14.169 0.057 1.00 0.00 C ATOM 75 CE3 TRP A 5 77.060 11.972 0.877 1.00 0.00 C ATOM 76 CZ2 TRP A 5 75.479 14.308 0.974 1.00 0.00 C ATOM 77 CZ3 TRP A 5 76.042 12.111 1.789 1.00 0.00 C ATOM 78 CH2 TRP A 5 75.261 13.272 1.831 1.00 0.00 C ATOM 0 H TRP A 5 79.234 14.029 -3.686 1.00 0.00 H new ATOM 0 HA TRP A 5 80.512 11.460 -3.033 1.00 0.00 H new ATOM 0 HB2 TRP A 5 79.041 11.244 -1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 5 80.244 12.505 -0.938 1.00 0.00 H new ATOM 0 HD1 TRP A 5 78.581 14.943 -2.330 1.00 0.00 H new ATOM 0 HE1 TRP A 5 76.553 15.945 -1.106 1.00 0.00 H new ATOM 0 HE3 TRP A 5 77.653 11.070 0.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 74.874 15.202 1.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 75.841 11.311 2.486 1.00 0.00 H new ATOM 0 HH2 TRP A 5 74.467 13.348 2.560 1.00 0.00 H new ATOM 89 N GLN A 6 78.573 10.252 -3.941 1.00 0.00 N ATOM 90 CA GLN A 6 77.696 9.580 -4.857 1.00 0.00 C ATOM 91 C GLN A 6 76.381 9.167 -4.238 1.00 0.00 C ATOM 92 O GLN A 6 76.309 8.807 -3.057 1.00 0.00 O ATOM 93 CB GLN A 6 78.428 8.428 -5.598 1.00 0.00 C ATOM 94 CG GLN A 6 79.192 7.425 -4.714 1.00 0.00 C ATOM 95 CD GLN A 6 78.312 6.475 -3.919 1.00 0.00 C ATOM 96 OE1 GLN A 6 77.220 6.107 -4.341 1.00 0.00 O ATOM 97 NE2 GLN A 6 78.779 6.072 -2.773 1.00 0.00 N ATOM 0 H GLN A 6 79.188 9.633 -3.413 1.00 0.00 H new ATOM 0 HA GLN A 6 77.414 10.308 -5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 6 77.693 7.877 -6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 6 79.133 8.868 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 6 79.857 6.838 -5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 6 79.822 7.981 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 6 79.691 6.397 -2.451 1.00 0.00 H new ATOM 0 HE22 GLN A 6 78.233 5.431 -2.197 1.00 0.00 H new ATOM 106 N VAL A 7 75.342 9.272 -5.024 1.00 0.00 N ATOM 107 CA VAL A 7 74.022 8.908 -4.602 1.00 0.00 C ATOM 108 C VAL A 7 73.619 7.638 -5.361 1.00 0.00 C ATOM 109 O VAL A 7 74.062 7.426 -6.502 1.00 0.00 O ATOM 110 CB VAL A 7 72.982 10.068 -4.862 1.00 0.00 C ATOM 111 CG1 VAL A 7 73.505 11.410 -4.341 1.00 0.00 C ATOM 112 CG2 VAL A 7 72.592 10.190 -6.335 1.00 0.00 C ATOM 0 H VAL A 7 75.392 9.616 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 7 74.022 8.727 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 7 72.082 9.800 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 7 72.767 12.188 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 7 73.684 11.339 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 7 74.437 11.659 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 7 71.875 11.002 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 7 73.481 10.399 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 7 72.141 9.256 -6.671 1.00 0.00 H new ATOM 122 N CYS A 8 72.858 6.789 -4.742 1.00 0.00 N ATOM 123 CA CYS A 8 72.418 5.577 -5.374 1.00 0.00 C ATOM 124 C CYS A 8 70.981 5.264 -4.986 1.00 0.00 C ATOM 125 O CYS A 8 70.568 5.485 -3.843 1.00 0.00 O ATOM 126 CB CYS A 8 73.340 4.409 -4.993 1.00 0.00 C ATOM 127 SG CYS A 8 73.439 4.094 -3.219 1.00 0.00 S ATOM 0 H CYS A 8 72.523 6.913 -3.787 1.00 0.00 H new ATOM 0 HA CYS A 8 72.462 5.717 -6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 8 72.989 3.506 -5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 8 74.342 4.613 -5.371 1.00 0.00 H new ATOM 0 HG CYS A 8 73.198 5.194 -2.569 1.00 0.00 H new ATOM 133 N SER A 9 70.219 4.820 -5.935 1.00 0.00 N ATOM 134 CA SER A 9 68.890 4.390 -5.697 1.00 0.00 C ATOM 135 C SER A 9 68.903 2.915 -5.376 1.00 0.00 C ATOM 136 O SER A 9 69.469 2.098 -6.107 1.00 0.00 O ATOM 137 CB SER A 9 67.995 4.687 -6.918 1.00 0.00 C ATOM 138 OG SER A 9 66.655 4.228 -6.742 1.00 0.00 O ATOM 0 H SER A 9 70.513 4.748 -6.909 1.00 0.00 H new ATOM 0 HA SER A 9 68.474 4.936 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 9 67.986 5.761 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 9 68.424 4.214 -7.802 1.00 0.00 H new ATOM 0 HG SER A 9 66.129 4.441 -7.541 1.00 0.00 H new ATOM 144 N LEU A 10 68.351 2.596 -4.274 1.00 0.00 N ATOM 145 CA LEU A 10 68.203 1.251 -3.868 1.00 0.00 C ATOM 146 C LEU A 10 66.788 0.838 -4.064 1.00 0.00 C ATOM 147 O LEU A 10 65.860 1.552 -3.675 1.00 0.00 O ATOM 148 CB LEU A 10 68.591 1.065 -2.405 1.00 0.00 C ATOM 149 CG LEU A 10 70.066 1.221 -2.058 1.00 0.00 C ATOM 150 CD1 LEU A 10 70.284 0.974 -0.578 1.00 0.00 C ATOM 151 CD2 LEU A 10 70.909 0.257 -2.866 1.00 0.00 C ATOM 0 H LEU A 10 67.979 3.276 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 10 68.866 0.633 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 10 68.025 1.782 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 10 68.273 0.070 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 10 70.368 2.240 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 10 71.342 1.088 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 10 69.703 1.693 0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 10 69.963 -0.037 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 10 71.959 0.384 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 10 70.602 -0.766 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 10 70.774 0.458 -3.929 1.00 0.00 H new ATOM 163 N VAL A 11 66.625 -0.257 -4.704 1.00 0.00 N ATOM 164 CA VAL A 11 65.350 -0.849 -4.884 1.00 0.00 C ATOM 165 C VAL A 11 65.235 -1.925 -3.824 1.00 0.00 C ATOM 166 O VAL A 11 65.859 -2.984 -3.915 1.00 0.00 O ATOM 167 CB VAL A 11 65.208 -1.443 -6.313 1.00 0.00 C ATOM 168 CG1 VAL A 11 63.918 -2.230 -6.474 1.00 0.00 C ATOM 169 CG2 VAL A 11 65.276 -0.337 -7.358 1.00 0.00 C ATOM 0 H VAL A 11 67.390 -0.781 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 11 64.552 -0.114 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 11 66.040 -2.132 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 11 63.859 -2.628 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.902 -3.053 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 11 63.067 -1.574 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 11 65.175 -0.770 -8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 11 64.468 0.374 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 11 66.234 0.177 -7.282 1.00 0.00 H new ATOM 179 N VAL A 12 64.522 -1.617 -2.794 1.00 0.00 N ATOM 180 CA VAL A 12 64.383 -2.509 -1.685 1.00 0.00 C ATOM 181 C VAL A 12 63.081 -3.261 -1.800 1.00 0.00 C ATOM 182 O VAL A 12 62.012 -2.673 -1.718 1.00 0.00 O ATOM 183 CB VAL A 12 64.434 -1.739 -0.329 1.00 0.00 C ATOM 184 CG1 VAL A 12 64.306 -2.689 0.853 1.00 0.00 C ATOM 185 CG2 VAL A 12 65.719 -0.924 -0.216 1.00 0.00 C ATOM 0 H VAL A 12 64.016 -0.737 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 12 65.216 -3.212 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 12 63.585 -1.056 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 12 64.345 -2.121 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 12 63.356 -3.220 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 12 65.125 -3.408 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 12 65.732 -0.396 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 12 66.579 -1.591 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 12 65.765 -0.202 -1.031 1.00 0.00 H new ATOM 195 N GLN A 13 63.175 -4.535 -2.038 1.00 0.00 N ATOM 196 CA GLN A 13 62.018 -5.375 -2.099 1.00 0.00 C ATOM 197 C GLN A 13 61.757 -5.872 -0.698 1.00 0.00 C ATOM 198 O GLN A 13 62.614 -6.551 -0.091 1.00 0.00 O ATOM 199 CB GLN A 13 62.247 -6.539 -3.051 1.00 0.00 C ATOM 200 CG GLN A 13 61.017 -7.409 -3.271 1.00 0.00 C ATOM 201 CD GLN A 13 61.236 -8.522 -4.284 1.00 0.00 C ATOM 202 OE1 GLN A 13 60.641 -9.597 -4.179 1.00 0.00 O ATOM 203 NE2 GLN A 13 62.052 -8.282 -5.276 1.00 0.00 N ATOM 0 H GLN A 13 64.058 -5.021 -2.195 1.00 0.00 H new ATOM 0 HA GLN A 13 61.159 -4.820 -2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 13 62.580 -6.149 -4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 13 63.054 -7.160 -2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 13 60.717 -7.848 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 13 60.192 -6.780 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 13 62.530 -7.383 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 13 62.210 -8.993 -5.990 1.00 0.00 H new ATOM 212 N ALA A 14 60.637 -5.515 -0.177 1.00 0.00 N ATOM 213 CA ALA A 14 60.290 -5.803 1.171 1.00 0.00 C ATOM 214 C ALA A 14 58.863 -6.312 1.256 1.00 0.00 C ATOM 215 O ALA A 14 58.159 -6.384 0.237 1.00 0.00 O ATOM 216 CB ALA A 14 60.460 -4.548 2.008 1.00 0.00 C ATOM 0 H ALA A 14 59.918 -5.002 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 14 60.947 -6.583 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.195 -4.763 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 14 61.497 -4.216 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 14 59.810 -3.763 1.623 1.00 0.00 H new ATOM 222 N LYS A 15 58.473 -6.740 2.447 1.00 0.00 N ATOM 223 CA LYS A 15 57.100 -7.170 2.715 1.00 0.00 C ATOM 224 C LYS A 15 56.125 -6.045 2.438 1.00 0.00 C ATOM 225 O LYS A 15 56.161 -5.014 3.113 1.00 0.00 O ATOM 226 CB LYS A 15 56.908 -7.596 4.181 1.00 0.00 C ATOM 227 CG LYS A 15 57.329 -9.006 4.553 1.00 0.00 C ATOM 228 CD LYS A 15 58.795 -9.275 4.333 1.00 0.00 C ATOM 229 CE LYS A 15 59.169 -10.619 4.906 1.00 0.00 C ATOM 230 NZ LYS A 15 58.353 -11.719 4.336 1.00 0.00 N ATOM 0 H LYS A 15 59.093 -6.801 3.255 1.00 0.00 H new ATOM 0 HA LYS A 15 56.910 -8.020 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 15 57.463 -6.900 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 15 55.853 -7.481 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 15 57.089 -9.183 5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 15 56.746 -9.717 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 15 59.021 -9.250 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 15 59.390 -8.492 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 15 60.224 -10.814 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 15 59.042 -10.598 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 58.781 -12.634 4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 57.389 -11.672 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 58.316 -11.623 3.301 1.00 0.00 H new ATOM 244 N SER A 16 55.254 -6.263 1.482 1.00 0.00 N ATOM 245 CA SER A 16 54.216 -5.324 1.117 1.00 0.00 C ATOM 246 C SER A 16 53.335 -4.958 2.330 1.00 0.00 C ATOM 247 O SER A 16 52.954 -3.797 2.510 1.00 0.00 O ATOM 248 CB SER A 16 53.378 -5.913 -0.029 1.00 0.00 C ATOM 249 OG SER A 16 52.264 -5.099 -0.364 1.00 0.00 O ATOM 0 H SER A 16 55.246 -7.116 0.923 1.00 0.00 H new ATOM 0 HA SER A 16 54.680 -4.398 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 16 54.009 -6.039 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 16 53.026 -6.905 0.255 1.00 0.00 H new ATOM 0 HG SER A 16 52.349 -4.793 -1.291 1.00 0.00 H new ATOM 255 N GLU A 17 53.074 -5.926 3.190 1.00 0.00 N ATOM 256 CA GLU A 17 52.239 -5.707 4.369 1.00 0.00 C ATOM 257 C GLU A 17 52.951 -4.849 5.420 1.00 0.00 C ATOM 258 O GLU A 17 52.308 -4.219 6.252 1.00 0.00 O ATOM 259 CB GLU A 17 51.863 -7.046 5.003 1.00 0.00 C ATOM 260 CG GLU A 17 53.065 -7.858 5.471 1.00 0.00 C ATOM 261 CD GLU A 17 52.674 -9.113 6.174 1.00 0.00 C ATOM 262 OE1 GLU A 17 52.241 -10.060 5.514 1.00 0.00 O ATOM 263 OE2 GLU A 17 52.789 -9.177 7.404 1.00 0.00 O ATOM 0 H GLU A 17 53.428 -6.878 3.098 1.00 0.00 H new ATOM 0 HA GLU A 17 51.345 -5.180 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.205 -6.864 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 17 51.297 -7.634 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.687 -8.107 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.673 -7.247 6.138 1.00 0.00 H new ATOM 270 N ARG A 18 54.264 -4.791 5.340 1.00 0.00 N ATOM 271 CA ARG A 18 55.071 -4.178 6.370 1.00 0.00 C ATOM 272 C ARG A 18 55.781 -2.925 5.842 1.00 0.00 C ATOM 273 O ARG A 18 56.633 -2.336 6.516 1.00 0.00 O ATOM 274 CB ARG A 18 56.061 -5.227 6.841 1.00 0.00 C ATOM 275 CG ARG A 18 56.772 -4.887 8.113 1.00 0.00 C ATOM 276 CD ARG A 18 57.559 -6.055 8.601 1.00 0.00 C ATOM 277 NE ARG A 18 56.714 -7.178 9.022 1.00 0.00 N ATOM 278 CZ ARG A 18 57.143 -8.224 9.735 1.00 0.00 C ATOM 279 NH1 ARG A 18 58.362 -8.233 10.238 1.00 0.00 N ATOM 280 NH2 ARG A 18 56.335 -9.234 9.982 1.00 0.00 N ATOM 0 H ARG A 18 54.800 -5.168 4.558 1.00 0.00 H new ATOM 0 HA ARG A 18 54.450 -3.845 7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.533 -6.171 6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.802 -5.386 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.435 -4.037 7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 18 56.049 -4.586 8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 18 58.231 -6.389 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 18 58.182 -5.742 9.439 1.00 0.00 H new ATOM 0 HE ARG A 18 55.731 -7.159 8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 18 58.983 -7.439 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 18 58.684 -9.034 10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 18 55.378 -9.220 9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 18 56.666 -10.031 10.526 1.00 0.00 H new ATOM 294 N ILE A 19 55.373 -2.507 4.654 1.00 0.00 N ATOM 295 CA ILE A 19 55.938 -1.354 3.938 1.00 0.00 C ATOM 296 C ILE A 19 56.084 -0.097 4.803 1.00 0.00 C ATOM 297 O ILE A 19 57.168 0.466 4.873 1.00 0.00 O ATOM 298 CB ILE A 19 55.124 -1.065 2.626 1.00 0.00 C ATOM 299 CG1 ILE A 19 55.451 -2.119 1.553 1.00 0.00 C ATOM 300 CG2 ILE A 19 55.321 0.355 2.086 1.00 0.00 C ATOM 301 CD1 ILE A 19 56.891 -2.107 1.065 1.00 0.00 C ATOM 0 H ILE A 19 54.621 -2.966 4.141 1.00 0.00 H new ATOM 0 HA ILE A 19 56.956 -1.631 3.665 1.00 0.00 H new ATOM 0 HB ILE A 19 54.069 -1.136 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 19 55.226 -3.107 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 19 54.792 -1.964 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 19 54.730 0.485 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 19 54.999 1.077 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 19 56.375 0.515 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 19 57.026 -2.883 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 19 57.119 -1.134 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 19 57.561 -2.295 1.904 1.00 0.00 H new ATOM 313 N SER A 20 55.030 0.275 5.502 1.00 0.00 N ATOM 314 CA SER A 20 55.003 1.497 6.298 1.00 0.00 C ATOM 315 C SER A 20 56.049 1.482 7.431 1.00 0.00 C ATOM 316 O SER A 20 56.667 2.514 7.752 1.00 0.00 O ATOM 317 CB SER A 20 53.605 1.682 6.862 1.00 0.00 C ATOM 318 OG SER A 20 52.634 1.526 5.826 1.00 0.00 O ATOM 0 H SER A 20 54.162 -0.260 5.537 1.00 0.00 H new ATOM 0 HA SER A 20 55.261 2.335 5.651 1.00 0.00 H new ATOM 0 HB2 SER A 20 53.424 0.954 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 20 53.513 2.671 7.311 1.00 0.00 H new ATOM 0 HG SER A 20 51.736 1.645 6.199 1.00 0.00 H new ATOM 324 N ASP A 21 56.270 0.318 8.013 1.00 0.00 N ATOM 325 CA ASP A 21 57.252 0.192 9.089 1.00 0.00 C ATOM 326 C ASP A 21 58.643 0.233 8.534 1.00 0.00 C ATOM 327 O ASP A 21 59.542 0.859 9.110 1.00 0.00 O ATOM 328 CB ASP A 21 57.076 -1.096 9.904 1.00 0.00 C ATOM 329 CG ASP A 21 55.973 -1.031 10.926 1.00 0.00 C ATOM 330 OD1 ASP A 21 56.215 -0.553 12.052 1.00 0.00 O ATOM 331 OD2 ASP A 21 54.848 -1.486 10.646 1.00 0.00 O ATOM 0 H ASP A 21 55.792 -0.549 7.767 1.00 0.00 H new ATOM 0 HA ASP A 21 57.087 1.036 9.758 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.875 -1.921 9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 21 58.014 -1.323 10.411 1.00 0.00 H new ATOM 336 N ILE A 22 58.819 -0.415 7.413 1.00 0.00 N ATOM 337 CA ILE A 22 60.112 -0.517 6.779 1.00 0.00 C ATOM 338 C ILE A 22 60.553 0.825 6.192 1.00 0.00 C ATOM 339 O ILE A 22 61.693 1.224 6.371 1.00 0.00 O ATOM 340 CB ILE A 22 60.121 -1.636 5.706 1.00 0.00 C ATOM 341 CG1 ILE A 22 59.690 -2.952 6.362 1.00 0.00 C ATOM 342 CG2 ILE A 22 61.515 -1.787 5.084 1.00 0.00 C ATOM 343 CD1 ILE A 22 59.523 -4.101 5.404 1.00 0.00 C ATOM 0 H ILE A 22 58.069 -0.889 6.910 1.00 0.00 H new ATOM 0 HA ILE A 22 60.837 -0.790 7.546 1.00 0.00 H new ATOM 0 HB ILE A 22 59.427 -1.373 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 22 60.429 -3.227 7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 22 58.747 -2.791 6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 22 61.495 -2.578 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 22 61.807 -0.848 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 22 62.235 -2.042 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 22 59.217 -4.991 5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 22 58.762 -3.851 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 22 60.469 -4.294 4.899 1.00 0.00 H new ATOM 355 N SER A 23 59.639 1.536 5.551 1.00 0.00 N ATOM 356 CA SER A 23 59.953 2.821 4.951 1.00 0.00 C ATOM 357 C SER A 23 60.382 3.833 6.010 1.00 0.00 C ATOM 358 O SER A 23 61.433 4.473 5.886 1.00 0.00 O ATOM 359 CB SER A 23 58.755 3.331 4.157 1.00 0.00 C ATOM 360 OG SER A 23 57.588 3.307 4.960 1.00 0.00 O ATOM 0 H SER A 23 58.669 1.242 5.433 1.00 0.00 H new ATOM 0 HA SER A 23 60.792 2.690 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 23 58.945 4.347 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 23 58.608 2.714 3.271 1.00 0.00 H new ATOM 0 HG SER A 23 57.219 2.399 4.974 1.00 0.00 H new ATOM 366 N THR A 24 59.601 3.928 7.068 1.00 0.00 N ATOM 367 CA THR A 24 59.889 4.831 8.158 1.00 0.00 C ATOM 368 C THR A 24 61.238 4.472 8.817 1.00 0.00 C ATOM 369 O THR A 24 62.003 5.354 9.226 1.00 0.00 O ATOM 370 CB THR A 24 58.752 4.784 9.196 1.00 0.00 C ATOM 371 OG1 THR A 24 57.493 4.978 8.507 1.00 0.00 O ATOM 372 CG2 THR A 24 58.934 5.887 10.237 1.00 0.00 C ATOM 0 H THR A 24 58.750 3.380 7.194 1.00 0.00 H new ATOM 0 HA THR A 24 59.962 5.844 7.763 1.00 0.00 H new ATOM 0 HB THR A 24 58.765 3.820 9.705 1.00 0.00 H new ATOM 0 HG1 THR A 24 57.108 4.106 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 24 58.122 5.840 10.963 1.00 0.00 H new ATOM 0 HG22 THR A 24 59.887 5.751 10.749 1.00 0.00 H new ATOM 0 HG23 THR A 24 58.923 6.859 9.743 1.00 0.00 H new ATOM 380 N GLN A 25 61.526 3.175 8.888 1.00 0.00 N ATOM 381 CA GLN A 25 62.746 2.694 9.415 1.00 0.00 C ATOM 382 C GLN A 25 63.908 3.120 8.524 1.00 0.00 C ATOM 383 O GLN A 25 64.888 3.664 9.009 1.00 0.00 O ATOM 384 CB GLN A 25 62.688 1.188 9.498 1.00 0.00 C ATOM 385 CG GLN A 25 63.645 0.634 10.480 1.00 0.00 C ATOM 386 CD GLN A 25 63.529 -0.865 10.678 1.00 0.00 C ATOM 387 OE1 GLN A 25 64.514 -1.535 10.943 1.00 0.00 O ATOM 388 NE2 GLN A 25 62.325 -1.387 10.619 1.00 0.00 N ATOM 0 H GLN A 25 60.894 2.440 8.570 1.00 0.00 H new ATOM 0 HA GLN A 25 62.900 3.111 10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 25 61.678 0.882 9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 25 62.897 0.766 8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 25 64.659 0.870 10.156 1.00 0.00 H new ATOM 0 HG3 GLN A 25 63.493 1.129 11.439 1.00 0.00 H new ATOM 0 HE21 GLN A 25 61.524 -0.797 10.395 1.00 0.00 H new ATOM 0 HE22 GLN A 25 62.191 -2.382 10.798 1.00 0.00 H new ATOM 397 N LEU A 26 63.771 2.901 7.212 1.00 0.00 N ATOM 398 CA LEU A 26 64.794 3.220 6.255 1.00 0.00 C ATOM 399 C LEU A 26 65.079 4.708 6.195 1.00 0.00 C ATOM 400 O LEU A 26 66.204 5.115 5.999 1.00 0.00 O ATOM 401 CB LEU A 26 64.439 2.667 4.883 1.00 0.00 C ATOM 402 CG LEU A 26 64.372 1.133 4.776 1.00 0.00 C ATOM 403 CD1 LEU A 26 64.012 0.698 3.370 1.00 0.00 C ATOM 404 CD2 LEU A 26 65.685 0.495 5.209 1.00 0.00 C ATOM 0 H LEU A 26 62.933 2.493 6.798 1.00 0.00 H new ATOM 0 HA LEU A 26 65.713 2.739 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 26 63.473 3.076 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 26 65.173 3.031 4.164 1.00 0.00 H new ATOM 0 HG LEU A 26 63.587 0.792 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 26 63.972 -0.390 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 26 63.039 1.108 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 64.766 1.063 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 26 65.609 -0.589 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 26 66.492 0.854 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 26 65.896 0.763 6.244 1.00 0.00 H new ATOM 416 N ASN A 27 64.061 5.504 6.408 1.00 0.00 N ATOM 417 CA ASN A 27 64.205 6.969 6.453 1.00 0.00 C ATOM 418 C ASN A 27 64.997 7.419 7.670 1.00 0.00 C ATOM 419 O ASN A 27 65.467 8.561 7.748 1.00 0.00 O ATOM 420 CB ASN A 27 62.840 7.640 6.467 1.00 0.00 C ATOM 421 CG ASN A 27 62.208 7.745 5.107 1.00 0.00 C ATOM 422 OD1 ASN A 27 62.894 7.868 4.110 1.00 0.00 O ATOM 423 ND2 ASN A 27 60.906 7.699 5.055 1.00 0.00 N ATOM 0 H ASN A 27 63.107 5.174 6.556 1.00 0.00 H new ATOM 0 HA ASN A 27 64.750 7.265 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.176 7.080 7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 27 62.940 8.639 6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 27 60.429 7.767 4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 27 60.365 7.595 5.913 1.00 0.00 H new ATOM 430 N ALA A 28 65.149 6.532 8.614 1.00 0.00 N ATOM 431 CA ALA A 28 65.860 6.820 9.822 1.00 0.00 C ATOM 432 C ALA A 28 67.322 6.386 9.709 1.00 0.00 C ATOM 433 O ALA A 28 68.099 6.569 10.637 1.00 0.00 O ATOM 434 CB ALA A 28 65.171 6.149 10.998 1.00 0.00 C ATOM 0 H ALA A 28 64.779 5.583 8.563 1.00 0.00 H new ATOM 0 HA ALA A 28 65.853 7.897 9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 28 65.717 6.372 11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 28 64.151 6.522 11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 28 65.151 5.071 10.841 1.00 0.00 H new ATOM 440 N PHE A 29 67.689 5.816 8.576 1.00 0.00 N ATOM 441 CA PHE A 29 69.038 5.399 8.332 1.00 0.00 C ATOM 442 C PHE A 29 69.882 6.590 7.886 1.00 0.00 C ATOM 443 O PHE A 29 69.347 7.554 7.309 1.00 0.00 O ATOM 444 CB PHE A 29 69.063 4.313 7.266 1.00 0.00 C ATOM 445 CG PHE A 29 68.788 2.927 7.742 1.00 0.00 C ATOM 446 CD1 PHE A 29 67.544 2.579 8.176 1.00 0.00 C ATOM 447 CD2 PHE A 29 69.783 1.973 7.750 1.00 0.00 C ATOM 448 CE1 PHE A 29 67.272 1.301 8.610 1.00 0.00 C ATOM 449 CE2 PHE A 29 69.521 0.694 8.180 1.00 0.00 C ATOM 450 CZ PHE A 29 68.264 0.357 8.612 1.00 0.00 C ATOM 0 H PHE A 29 67.050 5.633 7.803 1.00 0.00 H new ATOM 0 HA PHE A 29 69.456 4.997 9.255 1.00 0.00 H new ATOM 0 HB2 PHE A 29 68.330 4.566 6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 29 70.042 4.324 6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 29 66.757 3.319 8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.777 2.233 7.416 1.00 0.00 H new ATOM 0 HE1 PHE A 29 66.279 1.044 8.948 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.307 -0.047 8.178 1.00 0.00 H new ATOM 0 HZ PHE A 29 68.058 -0.647 8.952 1.00 0.00 H new ATOM 460 N PRO A 30 71.207 6.546 8.130 1.00 0.00 N ATOM 461 CA PRO A 30 72.110 7.632 7.782 1.00 0.00 C ATOM 462 C PRO A 30 72.283 7.771 6.277 1.00 0.00 C ATOM 463 O PRO A 30 73.032 7.018 5.643 1.00 0.00 O ATOM 464 CB PRO A 30 73.445 7.251 8.434 1.00 0.00 C ATOM 465 CG PRO A 30 73.151 6.072 9.296 1.00 0.00 C ATOM 466 CD PRO A 30 71.930 5.425 8.737 1.00 0.00 C ATOM 0 HA PRO A 30 71.724 8.591 8.127 1.00 0.00 H new ATOM 0 HB2 PRO A 30 74.194 7.008 7.680 1.00 0.00 H new ATOM 0 HB3 PRO A 30 73.843 8.077 9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 30 73.990 5.376 9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 30 72.988 6.379 10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 30 72.180 4.661 8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 30 71.340 4.938 9.514 1.00 0.00 H new ATOM 474 N GLY A 31 71.547 8.683 5.711 1.00 0.00 N ATOM 475 CA GLY A 31 71.641 8.931 4.308 1.00 0.00 C ATOM 476 C GLY A 31 70.747 8.025 3.500 1.00 0.00 C ATOM 477 O GLY A 31 71.091 7.652 2.388 1.00 0.00 O ATOM 0 H GLY A 31 70.873 9.268 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 31 71.377 9.969 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 31 72.674 8.797 3.987 1.00 0.00 H new ATOM 481 N CYS A 32 69.627 7.617 4.065 1.00 0.00 N ATOM 482 CA CYS A 32 68.674 6.839 3.343 1.00 0.00 C ATOM 483 C CYS A 32 67.309 7.538 3.334 1.00 0.00 C ATOM 484 O CYS A 32 66.770 7.896 4.390 1.00 0.00 O ATOM 485 CB CYS A 32 68.578 5.485 3.982 1.00 0.00 C ATOM 486 SG CYS A 32 70.143 4.579 4.018 1.00 0.00 S ATOM 0 H CYS A 32 69.366 7.820 5.030 1.00 0.00 H new ATOM 0 HA CYS A 32 68.994 6.729 2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 32 68.213 5.601 5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 32 67.838 4.892 3.444 1.00 0.00 H new ATOM 0 HG CYS A 32 69.963 3.425 4.589 1.00 0.00 H new ATOM 492 N GLU A 33 66.780 7.771 2.150 1.00 0.00 N ATOM 493 CA GLU A 33 65.494 8.420 1.989 1.00 0.00 C ATOM 494 C GLU A 33 64.603 7.589 1.083 1.00 0.00 C ATOM 495 O GLU A 33 64.971 7.296 -0.061 1.00 0.00 O ATOM 496 CB GLU A 33 65.680 9.809 1.373 1.00 0.00 C ATOM 497 CG GLU A 33 64.391 10.595 1.187 1.00 0.00 C ATOM 498 CD GLU A 33 64.622 11.905 0.493 1.00 0.00 C ATOM 499 OE1 GLU A 33 65.137 12.839 1.127 1.00 0.00 O ATOM 500 OE2 GLU A 33 64.306 12.024 -0.717 1.00 0.00 O ATOM 0 H GLU A 33 67.230 7.516 1.271 1.00 0.00 H new ATOM 0 HA GLU A 33 65.028 8.517 2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 33 66.354 10.386 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 33 66.167 9.700 0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.684 9.999 0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.934 10.777 2.160 1.00 0.00 H new ATOM 507 N VAL A 34 63.463 7.204 1.580 1.00 0.00 N ATOM 508 CA VAL A 34 62.501 6.472 0.803 1.00 0.00 C ATOM 509 C VAL A 34 61.770 7.460 -0.086 1.00 0.00 C ATOM 510 O VAL A 34 60.907 8.221 0.368 1.00 0.00 O ATOM 511 CB VAL A 34 61.478 5.710 1.684 1.00 0.00 C ATOM 512 CG1 VAL A 34 60.544 4.869 0.825 1.00 0.00 C ATOM 513 CG2 VAL A 34 62.184 4.839 2.704 1.00 0.00 C ATOM 0 H VAL A 34 63.172 7.389 2.540 1.00 0.00 H new ATOM 0 HA VAL A 34 63.031 5.721 0.216 1.00 0.00 H new ATOM 0 HB VAL A 34 60.882 6.450 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.835 4.344 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 34 60.001 5.517 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 34 61.127 4.144 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 34 61.444 4.315 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 34 62.812 4.112 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 34 62.804 5.463 3.348 1.00 0.00 H new ATOM 523 N ALA A 35 62.146 7.466 -1.325 1.00 0.00 N ATOM 524 CA ALA A 35 61.616 8.377 -2.287 1.00 0.00 C ATOM 525 C ALA A 35 60.246 7.935 -2.752 1.00 0.00 C ATOM 526 O ALA A 35 59.303 8.736 -2.809 1.00 0.00 O ATOM 527 CB ALA A 35 62.565 8.482 -3.465 1.00 0.00 C ATOM 0 H ALA A 35 62.844 6.825 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 35 61.512 9.357 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 35 62.159 9.178 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 35 63.534 8.843 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 35 62.685 7.501 -3.924 1.00 0.00 H new ATOM 533 N VAL A 36 60.129 6.664 -3.065 1.00 0.00 N ATOM 534 CA VAL A 36 58.899 6.118 -3.600 1.00 0.00 C ATOM 535 C VAL A 36 58.598 4.799 -2.931 1.00 0.00 C ATOM 536 O VAL A 36 59.450 3.910 -2.911 1.00 0.00 O ATOM 537 CB VAL A 36 59.015 5.854 -5.141 1.00 0.00 C ATOM 538 CG1 VAL A 36 57.705 5.338 -5.725 1.00 0.00 C ATOM 539 CG2 VAL A 36 59.483 7.091 -5.890 1.00 0.00 C ATOM 0 H VAL A 36 60.879 5.981 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 36 58.108 6.845 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 36 59.769 5.078 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 36 57.826 5.167 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 36 57.432 4.402 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 36 56.919 6.075 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 36 59.551 6.868 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 36 58.771 7.902 -5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 36 60.463 7.392 -5.519 1.00 0.00 H new ATOM 549 N SER A 37 57.438 4.675 -2.359 1.00 0.00 N ATOM 550 CA SER A 37 57.005 3.411 -1.855 1.00 0.00 C ATOM 551 C SER A 37 56.000 2.846 -2.840 1.00 0.00 C ATOM 552 O SER A 37 55.122 3.578 -3.318 1.00 0.00 O ATOM 553 CB SER A 37 56.362 3.552 -0.474 1.00 0.00 C ATOM 554 OG SER A 37 57.225 4.227 0.437 1.00 0.00 O ATOM 0 H SER A 37 56.774 5.438 -2.230 1.00 0.00 H new ATOM 0 HA SER A 37 57.862 2.746 -1.745 1.00 0.00 H new ATOM 0 HB2 SER A 37 55.424 4.100 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 37 56.118 2.564 -0.082 1.00 0.00 H new ATOM 0 HG SER A 37 56.785 4.303 1.309 1.00 0.00 H new ATOM 560 N ASP A 38 56.166 1.605 -3.203 1.00 0.00 N ATOM 561 CA ASP A 38 55.237 0.939 -4.088 1.00 0.00 C ATOM 562 C ASP A 38 54.773 -0.331 -3.421 1.00 0.00 C ATOM 563 O ASP A 38 55.428 -1.371 -3.505 1.00 0.00 O ATOM 564 CB ASP A 38 55.889 0.628 -5.443 1.00 0.00 C ATOM 565 CG ASP A 38 54.952 0.038 -6.455 1.00 0.00 C ATOM 566 OD1 ASP A 38 54.297 0.801 -7.179 1.00 0.00 O ATOM 567 OD2 ASP A 38 54.881 -1.210 -6.571 1.00 0.00 O ATOM 0 H ASP A 38 56.946 1.023 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 38 54.387 1.593 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 38 56.313 1.546 -5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 38 56.717 -0.063 -5.285 1.00 0.00 H new ATOM 572 N ALA A 39 53.689 -0.220 -2.690 1.00 0.00 N ATOM 573 CA ALA A 39 53.100 -1.344 -1.968 1.00 0.00 C ATOM 574 C ALA A 39 52.695 -2.530 -2.884 1.00 0.00 C ATOM 575 O ALA A 39 52.919 -3.670 -2.493 1.00 0.00 O ATOM 576 CB ALA A 39 51.935 -0.896 -1.093 1.00 0.00 C ATOM 0 H ALA A 39 53.180 0.656 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 39 53.889 -1.725 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 39 51.520 -1.758 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 39 52.287 -0.165 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 39 51.164 -0.445 -1.717 1.00 0.00 H new ATOM 582 N PRO A 40 52.083 -2.292 -4.103 1.00 0.00 N ATOM 583 CA PRO A 40 51.732 -3.364 -5.071 1.00 0.00 C ATOM 584 C PRO A 40 52.868 -4.384 -5.301 1.00 0.00 C ATOM 585 O PRO A 40 52.631 -5.594 -5.306 1.00 0.00 O ATOM 586 CB PRO A 40 51.454 -2.567 -6.374 1.00 0.00 C ATOM 587 CG PRO A 40 51.923 -1.191 -6.061 1.00 0.00 C ATOM 588 CD PRO A 40 51.618 -1.007 -4.633 1.00 0.00 C ATOM 0 HA PRO A 40 50.897 -3.968 -4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 40 51.993 -2.989 -7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 40 50.395 -2.579 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.990 -1.083 -6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 40 51.411 -0.449 -6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 40 52.151 -0.161 -4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 40 50.556 -0.842 -4.452 1.00 0.00 H new ATOM 596 N SER A 41 54.091 -3.910 -5.471 1.00 0.00 N ATOM 597 CA SER A 41 55.206 -4.824 -5.641 1.00 0.00 C ATOM 598 C SER A 41 55.899 -5.085 -4.302 1.00 0.00 C ATOM 599 O SER A 41 56.458 -6.159 -4.063 1.00 0.00 O ATOM 600 CB SER A 41 56.195 -4.293 -6.687 1.00 0.00 C ATOM 601 OG SER A 41 56.682 -2.997 -6.337 1.00 0.00 O ATOM 0 H SER A 41 54.334 -2.920 -5.495 1.00 0.00 H new ATOM 0 HA SER A 41 54.817 -5.774 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 41 57.033 -4.984 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 41 55.707 -4.249 -7.661 1.00 0.00 H new ATOM 0 HG SER A 41 56.120 -2.312 -6.755 1.00 0.00 H new ATOM 607 N GLY A 42 55.826 -4.111 -3.425 1.00 0.00 N ATOM 608 CA GLY A 42 56.478 -4.212 -2.152 1.00 0.00 C ATOM 609 C GLY A 42 57.864 -3.637 -2.232 1.00 0.00 C ATOM 610 O GLY A 42 58.732 -3.974 -1.443 1.00 0.00 O ATOM 0 H GLY A 42 55.318 -3.239 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 42 55.899 -3.682 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 42 56.527 -5.256 -1.842 1.00 0.00 H new ATOM 614 N GLN A 43 58.076 -2.782 -3.199 1.00 0.00 N ATOM 615 CA GLN A 43 59.353 -2.184 -3.399 1.00 0.00 C ATOM 616 C GLN A 43 59.400 -0.774 -2.879 1.00 0.00 C ATOM 617 O GLN A 43 58.455 0.004 -3.039 1.00 0.00 O ATOM 618 CB GLN A 43 59.726 -2.215 -4.860 1.00 0.00 C ATOM 619 CG GLN A 43 59.998 -3.610 -5.389 1.00 0.00 C ATOM 620 CD GLN A 43 60.208 -3.629 -6.881 1.00 0.00 C ATOM 621 OE1 GLN A 43 59.941 -4.621 -7.547 1.00 0.00 O ATOM 622 NE2 GLN A 43 60.659 -2.536 -7.428 1.00 0.00 N ATOM 0 H GLN A 43 57.363 -2.486 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 43 60.079 -2.768 -2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 43 58.921 -1.766 -5.441 1.00 0.00 H new ATOM 0 HB3 GLN A 43 60.612 -1.599 -5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 43 60.881 -4.017 -4.896 1.00 0.00 H new ATOM 0 HG3 GLN A 43 59.162 -4.261 -5.134 1.00 0.00 H new ATOM 0 HE21 GLN A 43 60.873 -1.725 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 43 60.798 -2.491 -8.437 1.00 0.00 H new ATOM 631 N LEU A 44 60.475 -0.468 -2.234 1.00 0.00 N ATOM 632 CA LEU A 44 60.745 0.844 -1.737 1.00 0.00 C ATOM 633 C LEU A 44 61.948 1.390 -2.468 1.00 0.00 C ATOM 634 O LEU A 44 62.996 0.734 -2.521 1.00 0.00 O ATOM 635 CB LEU A 44 61.053 0.792 -0.235 1.00 0.00 C ATOM 636 CG LEU A 44 59.933 0.300 0.675 1.00 0.00 C ATOM 637 CD1 LEU A 44 60.444 0.103 2.083 1.00 0.00 C ATOM 638 CD2 LEU A 44 58.809 1.296 0.687 1.00 0.00 C ATOM 0 H LEU A 44 61.213 -1.142 -2.031 1.00 0.00 H new ATOM 0 HA LEU A 44 59.874 1.480 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 44 61.920 0.148 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 44 61.340 1.792 0.089 1.00 0.00 H new ATOM 0 HG LEU A 44 59.571 -0.654 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 44 59.632 -0.248 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 44 61.247 -0.635 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 44 60.823 1.050 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 44 58.012 0.938 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 44 59.176 2.254 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 44 58.422 1.420 -0.324 1.00 0.00 H new ATOM 650 N ILE A 45 61.800 2.532 -3.068 1.00 0.00 N ATOM 651 CA ILE A 45 62.908 3.183 -3.710 1.00 0.00 C ATOM 652 C ILE A 45 63.559 4.063 -2.676 1.00 0.00 C ATOM 653 O ILE A 45 62.937 4.999 -2.169 1.00 0.00 O ATOM 654 CB ILE A 45 62.440 4.053 -4.923 1.00 0.00 C ATOM 655 CG1 ILE A 45 61.795 3.180 -6.015 1.00 0.00 C ATOM 656 CG2 ILE A 45 63.594 4.879 -5.501 1.00 0.00 C ATOM 657 CD1 ILE A 45 62.731 2.164 -6.635 1.00 0.00 C ATOM 0 H ILE A 45 60.916 3.038 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 45 63.601 2.437 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 45 61.686 4.748 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 45 60.941 2.656 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 45 61.409 3.829 -6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 45 63.232 5.471 -6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 45 63.987 5.544 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 45 64.385 4.211 -5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 45 62.196 1.592 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 45 63.574 2.679 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 45 63.098 1.488 -5.862 1.00 0.00 H new ATOM 669 N VAL A 46 64.781 3.773 -2.364 1.00 0.00 N ATOM 670 CA VAL A 46 65.493 4.499 -1.356 1.00 0.00 C ATOM 671 C VAL A 46 66.720 5.139 -1.961 1.00 0.00 C ATOM 672 O VAL A 46 67.506 4.476 -2.606 1.00 0.00 O ATOM 673 CB VAL A 46 65.897 3.573 -0.159 1.00 0.00 C ATOM 674 CG1 VAL A 46 66.649 4.347 0.911 1.00 0.00 C ATOM 675 CG2 VAL A 46 64.661 2.928 0.457 1.00 0.00 C ATOM 0 H VAL A 46 65.317 3.024 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 46 64.834 5.274 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 46 66.554 2.798 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 46 66.915 3.675 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 46 67.556 4.773 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.017 5.149 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 46 64.960 2.288 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 46 63.989 3.705 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 46 64.149 2.329 -0.297 1.00 0.00 H new ATOM 685 N VAL A 47 66.851 6.418 -1.803 1.00 0.00 N ATOM 686 CA VAL A 47 68.005 7.113 -2.284 1.00 0.00 C ATOM 687 C VAL A 47 69.007 7.186 -1.152 1.00 0.00 C ATOM 688 O VAL A 47 68.732 7.779 -0.096 1.00 0.00 O ATOM 689 CB VAL A 47 67.675 8.540 -2.793 1.00 0.00 C ATOM 690 CG1 VAL A 47 68.924 9.209 -3.364 1.00 0.00 C ATOM 691 CG2 VAL A 47 66.569 8.502 -3.838 1.00 0.00 C ATOM 0 H VAL A 47 66.163 7.010 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 47 68.409 6.568 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 47 67.323 9.128 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 47 68.672 10.209 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 47 69.686 9.279 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 47 69.306 8.617 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 47 66.356 9.515 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 47 66.889 7.894 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 47 65.669 8.070 -3.400 1.00 0.00 H new ATOM 701 N VAL A 48 70.110 6.533 -1.340 1.00 0.00 N ATOM 702 CA VAL A 48 71.162 6.487 -0.366 1.00 0.00 C ATOM 703 C VAL A 48 72.377 7.166 -0.927 1.00 0.00 C ATOM 704 O VAL A 48 72.830 6.818 -2.018 1.00 0.00 O ATOM 705 CB VAL A 48 71.529 5.021 0.000 1.00 0.00 C ATOM 706 CG1 VAL A 48 72.675 4.962 1.007 1.00 0.00 C ATOM 707 CG2 VAL A 48 70.321 4.291 0.540 1.00 0.00 C ATOM 0 H VAL A 48 70.311 6.006 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 48 70.817 6.993 0.536 1.00 0.00 H new ATOM 0 HB VAL A 48 71.862 4.529 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 48 72.903 3.921 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 48 73.557 5.441 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 48 72.384 5.481 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 48 70.597 3.267 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 48 69.959 4.798 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.535 4.281 -0.215 1.00 0.00 H new ATOM 717 N GLU A 49 72.883 8.137 -0.235 1.00 0.00 N ATOM 718 CA GLU A 49 74.080 8.776 -0.670 1.00 0.00 C ATOM 719 C GLU A 49 75.194 8.589 0.328 1.00 0.00 C ATOM 720 O GLU A 49 74.975 8.609 1.561 1.00 0.00 O ATOM 721 CB GLU A 49 73.888 10.247 -1.086 1.00 0.00 C ATOM 722 CG GLU A 49 73.355 11.211 -0.041 1.00 0.00 C ATOM 723 CD GLU A 49 71.910 11.025 0.284 1.00 0.00 C ATOM 724 OE1 GLU A 49 71.050 11.452 -0.517 1.00 0.00 O ATOM 725 OE2 GLU A 49 71.600 10.502 1.362 1.00 0.00 O ATOM 0 H GLU A 49 72.486 8.503 0.631 1.00 0.00 H new ATOM 0 HA GLU A 49 74.377 8.272 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 49 74.849 10.626 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 49 73.210 10.269 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 49 73.939 11.098 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 49 73.508 12.231 -0.393 1.00 0.00 H new ATOM 732 N ALA A 50 76.373 8.364 -0.189 1.00 0.00 N ATOM 733 CA ALA A 50 77.524 8.123 0.621 1.00 0.00 C ATOM 734 C ALA A 50 78.737 8.719 -0.035 1.00 0.00 C ATOM 735 O ALA A 50 78.771 8.890 -1.256 1.00 0.00 O ATOM 736 CB ALA A 50 77.721 6.637 0.853 1.00 0.00 C ATOM 0 H ALA A 50 76.557 8.344 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 50 77.374 8.595 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 50 78.604 6.479 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.846 6.228 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.855 6.134 -0.105 1.00 0.00 H new ATOM 742 N GLU A 51 79.716 9.032 0.767 1.00 0.00 N ATOM 743 CA GLU A 51 80.939 9.648 0.302 1.00 0.00 C ATOM 744 C GLU A 51 81.784 8.699 -0.541 1.00 0.00 C ATOM 745 O GLU A 51 81.852 8.817 -1.771 1.00 0.00 O ATOM 746 CB GLU A 51 81.736 10.127 1.492 1.00 0.00 C ATOM 747 CG GLU A 51 81.048 11.190 2.310 1.00 0.00 C ATOM 748 CD GLU A 51 81.816 11.535 3.553 1.00 0.00 C ATOM 749 OE1 GLU A 51 83.057 11.709 3.473 1.00 0.00 O ATOM 750 OE2 GLU A 51 81.209 11.619 4.636 1.00 0.00 O ATOM 0 H GLU A 51 79.692 8.867 1.773 1.00 0.00 H new ATOM 0 HA GLU A 51 80.668 10.488 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 51 81.955 9.275 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 51 82.692 10.516 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.920 12.087 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 51 80.051 10.846 2.585 1.00 0.00 H new ATOM 757 N ASP A 52 82.391 7.751 0.118 1.00 0.00 N ATOM 758 CA ASP A 52 83.285 6.817 -0.523 1.00 0.00 C ATOM 759 C ASP A 52 82.569 5.498 -0.733 1.00 0.00 C ATOM 760 O ASP A 52 81.410 5.334 -0.296 1.00 0.00 O ATOM 761 CB ASP A 52 84.554 6.609 0.327 1.00 0.00 C ATOM 762 CG ASP A 52 85.418 7.853 0.461 1.00 0.00 C ATOM 763 OD1 ASP A 52 86.276 8.089 -0.408 1.00 0.00 O ATOM 764 OD2 ASP A 52 85.273 8.609 1.462 1.00 0.00 O ATOM 0 H ASP A 52 82.281 7.601 1.121 1.00 0.00 H new ATOM 0 HA ASP A 52 83.588 7.221 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 52 84.262 6.273 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 52 85.150 5.811 -0.117 1.00 0.00 H new ATOM 769 N SER A 53 83.230 4.556 -1.365 1.00 0.00 N ATOM 770 CA SER A 53 82.634 3.269 -1.627 1.00 0.00 C ATOM 771 C SER A 53 82.490 2.460 -0.331 1.00 0.00 C ATOM 772 O SER A 53 81.459 1.841 -0.103 1.00 0.00 O ATOM 773 CB SER A 53 83.452 2.510 -2.670 1.00 0.00 C ATOM 774 OG SER A 53 83.611 3.296 -3.854 1.00 0.00 O ATOM 0 H SER A 53 84.185 4.659 -1.708 1.00 0.00 H new ATOM 0 HA SER A 53 81.633 3.423 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 53 84.430 2.258 -2.260 1.00 0.00 H new ATOM 0 HB3 SER A 53 82.957 1.570 -2.915 1.00 0.00 H new ATOM 0 HG SER A 53 84.484 3.108 -4.257 1.00 0.00 H new ATOM 780 N GLU A 54 83.497 2.529 0.542 1.00 0.00 N ATOM 781 CA GLU A 54 83.461 1.797 1.805 1.00 0.00 C ATOM 782 C GLU A 54 82.312 2.276 2.687 1.00 0.00 C ATOM 783 O GLU A 54 81.608 1.472 3.294 1.00 0.00 O ATOM 784 CB GLU A 54 84.800 1.867 2.558 1.00 0.00 C ATOM 785 CG GLU A 54 85.262 3.265 2.939 1.00 0.00 C ATOM 786 CD GLU A 54 86.484 3.225 3.810 1.00 0.00 C ATOM 787 OE1 GLU A 54 86.343 2.981 5.024 1.00 0.00 O ATOM 788 OE2 GLU A 54 87.604 3.424 3.304 1.00 0.00 O ATOM 0 H GLU A 54 84.342 3.082 0.397 1.00 0.00 H new ATOM 0 HA GLU A 54 83.288 0.750 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 54 84.718 1.270 3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 54 85.570 1.404 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 54 85.477 3.837 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 54 84.459 3.784 3.462 1.00 0.00 H new ATOM 795 N THR A 55 82.093 3.586 2.710 1.00 0.00 N ATOM 796 CA THR A 55 81.012 4.157 3.469 1.00 0.00 C ATOM 797 C THR A 55 79.662 3.747 2.877 1.00 0.00 C ATOM 798 O THR A 55 78.680 3.605 3.588 1.00 0.00 O ATOM 799 CB THR A 55 81.143 5.692 3.572 1.00 0.00 C ATOM 800 OG1 THR A 55 81.483 6.246 2.289 1.00 0.00 O ATOM 801 CG2 THR A 55 82.203 6.082 4.591 1.00 0.00 C ATOM 0 H THR A 55 82.660 4.267 2.205 1.00 0.00 H new ATOM 0 HA THR A 55 81.067 3.763 4.484 1.00 0.00 H new ATOM 0 HB THR A 55 80.183 6.091 3.899 1.00 0.00 H new ATOM 0 HG1 THR A 55 81.220 5.620 1.582 1.00 0.00 H new ATOM 0 HG21 THR A 55 82.275 7.168 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.929 5.689 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 55 83.166 5.669 4.291 1.00 0.00 H new ATOM 809 N LEU A 56 79.644 3.522 1.567 1.00 0.00 N ATOM 810 CA LEU A 56 78.437 3.100 0.885 1.00 0.00 C ATOM 811 C LEU A 56 78.081 1.684 1.306 1.00 0.00 C ATOM 812 O LEU A 56 76.932 1.408 1.663 1.00 0.00 O ATOM 813 CB LEU A 56 78.614 3.171 -0.638 1.00 0.00 C ATOM 814 CG LEU A 56 77.399 2.758 -1.475 1.00 0.00 C ATOM 815 CD1 LEU A 56 76.232 3.701 -1.233 1.00 0.00 C ATOM 816 CD2 LEU A 56 77.752 2.697 -2.955 1.00 0.00 C ATOM 0 H LEU A 56 80.457 3.627 0.960 1.00 0.00 H new ATOM 0 HA LEU A 56 77.627 3.774 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 56 78.884 4.193 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 56 79.455 2.536 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 56 77.097 1.759 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 56 75.380 3.389 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 56 75.957 3.676 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 56 76.520 4.715 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 56 76.872 2.402 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 56 78.090 3.678 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 56 78.547 1.968 -3.110 1.00 0.00 H new ATOM 828 N ILE A 57 79.095 0.808 1.305 1.00 0.00 N ATOM 829 CA ILE A 57 78.931 -0.604 1.662 1.00 0.00 C ATOM 830 C ILE A 57 78.275 -0.737 3.032 1.00 0.00 C ATOM 831 O ILE A 57 77.257 -1.407 3.168 1.00 0.00 O ATOM 832 CB ILE A 57 80.295 -1.367 1.687 1.00 0.00 C ATOM 833 CG1 ILE A 57 81.007 -1.258 0.333 1.00 0.00 C ATOM 834 CG2 ILE A 57 80.081 -2.840 2.050 1.00 0.00 C ATOM 835 CD1 ILE A 57 82.369 -1.931 0.278 1.00 0.00 C ATOM 0 H ILE A 57 80.051 1.060 1.056 1.00 0.00 H new ATOM 0 HA ILE A 57 78.297 -1.048 0.895 1.00 0.00 H new ATOM 0 HB ILE A 57 80.925 -0.905 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 57 80.369 -1.696 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 57 81.127 -0.204 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 57 81.042 -3.355 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 57 79.620 -2.909 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 57 79.429 -3.306 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 57 82.798 -1.803 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 57 83.028 -1.479 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 57 82.258 -2.994 0.492 1.00 0.00 H new ATOM 847 N GLN A 58 78.835 -0.041 4.009 1.00 0.00 N ATOM 848 CA GLN A 58 78.371 -0.106 5.396 1.00 0.00 C ATOM 849 C GLN A 58 76.905 0.298 5.543 1.00 0.00 C ATOM 850 O GLN A 58 76.138 -0.374 6.250 1.00 0.00 O ATOM 851 CB GLN A 58 79.250 0.747 6.282 1.00 0.00 C ATOM 852 CG GLN A 58 80.695 0.290 6.311 1.00 0.00 C ATOM 853 CD GLN A 58 81.575 1.170 7.165 1.00 0.00 C ATOM 854 OE1 GLN A 58 82.768 1.316 6.895 1.00 0.00 O ATOM 855 NE2 GLN A 58 81.026 1.723 8.208 1.00 0.00 N ATOM 0 H GLN A 58 79.626 0.588 3.868 1.00 0.00 H new ATOM 0 HA GLN A 58 78.444 -1.147 5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 58 79.210 1.780 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 58 78.852 0.735 7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.739 -0.732 6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.085 0.273 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 58 80.034 1.579 8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 58 81.587 2.300 8.834 1.00 0.00 H new ATOM 864 N THR A 59 76.504 1.360 4.852 1.00 0.00 N ATOM 865 CA THR A 59 75.127 1.800 4.907 1.00 0.00 C ATOM 866 C THR A 59 74.206 0.701 4.332 1.00 0.00 C ATOM 867 O THR A 59 73.181 0.355 4.927 1.00 0.00 O ATOM 868 CB THR A 59 74.932 3.119 4.125 1.00 0.00 C ATOM 869 OG1 THR A 59 75.909 4.087 4.556 1.00 0.00 O ATOM 870 CG2 THR A 59 73.545 3.686 4.380 1.00 0.00 C ATOM 0 H THR A 59 77.110 1.923 4.255 1.00 0.00 H new ATOM 0 HA THR A 59 74.866 1.985 5.949 1.00 0.00 H new ATOM 0 HB THR A 59 75.051 2.910 3.062 1.00 0.00 H new ATOM 0 HG1 THR A 59 76.778 3.876 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 59 73.423 4.615 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 59 72.793 2.967 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 59 73.423 3.884 5.445 1.00 0.00 H new ATOM 878 N ILE A 60 74.626 0.119 3.210 1.00 0.00 N ATOM 879 CA ILE A 60 73.880 -0.945 2.553 1.00 0.00 C ATOM 880 C ILE A 60 73.772 -2.167 3.471 1.00 0.00 C ATOM 881 O ILE A 60 72.709 -2.782 3.572 1.00 0.00 O ATOM 882 CB ILE A 60 74.528 -1.344 1.193 1.00 0.00 C ATOM 883 CG1 ILE A 60 74.543 -0.137 0.243 1.00 0.00 C ATOM 884 CG2 ILE A 60 73.781 -2.520 0.547 1.00 0.00 C ATOM 885 CD1 ILE A 60 75.222 -0.399 -1.085 1.00 0.00 C ATOM 0 H ILE A 60 75.492 0.373 2.734 1.00 0.00 H new ATOM 0 HA ILE A 60 72.879 -0.568 2.346 1.00 0.00 H new ATOM 0 HB ILE A 60 75.553 -1.661 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 60 73.516 0.177 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 60 75.046 0.694 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 60 74.256 -2.776 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 60 73.813 -3.382 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 60 72.743 -2.238 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 60 75.189 0.504 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 60 76.260 -0.683 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 60 74.706 -1.207 -1.604 1.00 0.00 H new ATOM 897 N GLU A 61 74.862 -2.489 4.163 1.00 0.00 N ATOM 898 CA GLU A 61 74.885 -3.603 5.105 1.00 0.00 C ATOM 899 C GLU A 61 73.869 -3.373 6.214 1.00 0.00 C ATOM 900 O GLU A 61 73.135 -4.283 6.583 1.00 0.00 O ATOM 901 CB GLU A 61 76.286 -3.806 5.702 1.00 0.00 C ATOM 902 CG GLU A 61 77.358 -4.111 4.672 1.00 0.00 C ATOM 903 CD GLU A 61 78.727 -4.287 5.276 1.00 0.00 C ATOM 904 OE1 GLU A 61 79.270 -3.326 5.848 1.00 0.00 O ATOM 905 OE2 GLU A 61 79.280 -5.410 5.198 1.00 0.00 O ATOM 0 H GLU A 61 75.748 -1.989 4.087 1.00 0.00 H new ATOM 0 HA GLU A 61 74.621 -4.509 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.569 -2.908 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 61 76.247 -4.622 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 61 77.087 -5.018 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.391 -3.303 3.941 1.00 0.00 H new ATOM 912 N SER A 62 73.801 -2.146 6.707 1.00 0.00 N ATOM 913 CA SER A 62 72.859 -1.789 7.747 1.00 0.00 C ATOM 914 C SER A 62 71.412 -1.919 7.212 1.00 0.00 C ATOM 915 O SER A 62 70.527 -2.419 7.910 1.00 0.00 O ATOM 916 CB SER A 62 73.145 -0.361 8.266 1.00 0.00 C ATOM 917 OG SER A 62 72.399 -0.066 9.444 1.00 0.00 O ATOM 0 H SER A 62 74.395 -1.377 6.397 1.00 0.00 H new ATOM 0 HA SER A 62 72.973 -2.474 8.587 1.00 0.00 H new ATOM 0 HB2 SER A 62 74.210 -0.257 8.475 1.00 0.00 H new ATOM 0 HB3 SER A 62 72.900 0.364 7.490 1.00 0.00 H new ATOM 0 HG SER A 62 71.645 0.517 9.216 1.00 0.00 H new ATOM 923 N VAL A 63 71.190 -1.505 5.957 1.00 0.00 N ATOM 924 CA VAL A 63 69.871 -1.630 5.312 1.00 0.00 C ATOM 925 C VAL A 63 69.480 -3.119 5.183 1.00 0.00 C ATOM 926 O VAL A 63 68.333 -3.510 5.413 1.00 0.00 O ATOM 927 CB VAL A 63 69.853 -0.951 3.900 1.00 0.00 C ATOM 928 CG1 VAL A 63 68.518 -1.169 3.189 1.00 0.00 C ATOM 929 CG2 VAL A 63 70.130 0.539 4.023 1.00 0.00 C ATOM 0 H VAL A 63 71.905 -1.080 5.366 1.00 0.00 H new ATOM 0 HA VAL A 63 69.145 -1.117 5.942 1.00 0.00 H new ATOM 0 HB VAL A 63 70.637 -1.417 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 63 68.542 -0.684 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.345 -2.237 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.713 -0.741 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 63 70.114 0.995 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 63 69.366 1.001 4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 63 71.110 0.691 4.476 1.00 0.00 H new ATOM 939 N ARG A 64 70.469 -3.939 4.859 1.00 0.00 N ATOM 940 CA ARG A 64 70.297 -5.391 4.723 1.00 0.00 C ATOM 941 C ARG A 64 70.069 -6.064 6.072 1.00 0.00 C ATOM 942 O ARG A 64 69.751 -7.254 6.136 1.00 0.00 O ATOM 943 CB ARG A 64 71.507 -6.027 4.045 1.00 0.00 C ATOM 944 CG ARG A 64 71.696 -5.648 2.588 1.00 0.00 C ATOM 945 CD ARG A 64 72.936 -6.312 2.023 1.00 0.00 C ATOM 946 NE ARG A 64 72.873 -7.771 2.156 1.00 0.00 N ATOM 947 CZ ARG A 64 73.917 -8.603 2.073 1.00 0.00 C ATOM 948 NH1 ARG A 64 75.144 -8.134 1.812 1.00 0.00 N ATOM 949 NH2 ARG A 64 73.731 -9.902 2.264 1.00 0.00 N ATOM 0 H ARG A 64 71.422 -3.621 4.681 1.00 0.00 H new ATOM 0 HA ARG A 64 69.413 -5.543 4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 64 72.404 -5.746 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 64 71.416 -7.111 4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 64 70.821 -5.948 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 64 71.782 -4.565 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 64 73.045 -6.046 0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 64 73.819 -5.936 2.540 1.00 0.00 H new ATOM 0 HE ARG A 64 71.957 -8.186 2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 64 75.289 -7.134 1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 64 75.933 -8.777 1.751 1.00 0.00 H new ATOM 0 HH21 ARG A 64 72.798 -10.258 2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 64 74.521 -10.545 2.203 1.00 0.00 H new ATOM 963 N ASN A 65 70.244 -5.314 7.134 1.00 0.00 N ATOM 964 CA ASN A 65 70.044 -5.813 8.489 1.00 0.00 C ATOM 965 C ASN A 65 68.621 -5.601 8.966 1.00 0.00 C ATOM 966 O ASN A 65 68.313 -5.817 10.141 1.00 0.00 O ATOM 967 CB ASN A 65 71.041 -5.179 9.474 1.00 0.00 C ATOM 968 CG ASN A 65 72.301 -6.003 9.670 1.00 0.00 C ATOM 969 OD1 ASN A 65 72.403 -6.794 10.608 1.00 0.00 O ATOM 970 ND2 ASN A 65 73.256 -5.852 8.796 1.00 0.00 N ATOM 0 H ASN A 65 70.530 -4.336 7.091 1.00 0.00 H new ATOM 0 HA ASN A 65 70.228 -6.887 8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 65 71.316 -4.188 9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 65 70.551 -5.043 10.438 1.00 0.00 H new ATOM 0 HD21 ASN A 65 74.114 -6.396 8.879 1.00 0.00 H new ATOM 0 HD22 ASN A 65 73.145 -5.189 8.029 1.00 0.00 H new ATOM 977 N VAL A 66 67.745 -5.169 8.073 1.00 0.00 N ATOM 978 CA VAL A 66 66.360 -5.042 8.442 1.00 0.00 C ATOM 979 C VAL A 66 65.630 -6.344 8.223 1.00 0.00 C ATOM 980 O VAL A 66 65.777 -7.012 7.175 1.00 0.00 O ATOM 981 CB VAL A 66 65.585 -3.912 7.716 1.00 0.00 C ATOM 982 CG1 VAL A 66 64.106 -3.886 8.193 1.00 0.00 C ATOM 983 CG2 VAL A 66 66.243 -2.565 7.966 1.00 0.00 C ATOM 0 H VAL A 66 67.968 -4.908 7.112 1.00 0.00 H new ATOM 0 HA VAL A 66 66.386 -4.772 9.498 1.00 0.00 H new ATOM 0 HB VAL A 66 65.607 -4.111 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 66 63.571 -3.089 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 66 63.635 -4.843 7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 66 64.073 -3.708 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 66 65.684 -1.785 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 66 66.250 -2.357 9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 66 67.267 -2.586 7.594 1.00 0.00 H new ATOM 993 N GLU A 67 64.858 -6.670 9.211 1.00 0.00 N ATOM 994 CA GLU A 67 63.988 -7.790 9.265 1.00 0.00 C ATOM 995 C GLU A 67 63.091 -7.932 8.020 1.00 0.00 C ATOM 996 O GLU A 67 63.138 -8.954 7.327 1.00 0.00 O ATOM 997 CB GLU A 67 63.150 -7.646 10.526 1.00 0.00 C ATOM 998 CG GLU A 67 61.928 -8.489 10.549 1.00 0.00 C ATOM 999 CD GLU A 67 61.263 -8.519 11.889 1.00 0.00 C ATOM 1000 OE1 GLU A 67 60.453 -7.621 12.186 1.00 0.00 O ATOM 1001 OE2 GLU A 67 61.532 -9.434 12.673 1.00 0.00 O ATOM 0 H GLU A 67 64.821 -6.113 10.065 1.00 0.00 H new ATOM 0 HA GLU A 67 64.586 -8.701 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 67 63.767 -7.898 11.389 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.858 -6.602 10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 67 61.222 -8.116 9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 67 62.189 -9.506 10.256 1.00 0.00 H new ATOM 1008 N GLY A 68 62.308 -6.911 7.731 1.00 0.00 N ATOM 1009 CA GLY A 68 61.325 -6.997 6.667 1.00 0.00 C ATOM 1010 C GLY A 68 61.875 -6.874 5.250 1.00 0.00 C ATOM 1011 O GLY A 68 61.097 -6.873 4.292 1.00 0.00 O ATOM 0 H GLY A 68 62.332 -6.014 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 68 60.804 -7.951 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.582 -6.214 6.819 1.00 0.00 H new ATOM 1015 N VAL A 69 63.179 -6.788 5.096 1.00 0.00 N ATOM 1016 CA VAL A 69 63.762 -6.647 3.767 1.00 0.00 C ATOM 1017 C VAL A 69 64.068 -8.020 3.174 1.00 0.00 C ATOM 1018 O VAL A 69 64.527 -8.923 3.877 1.00 0.00 O ATOM 1019 CB VAL A 69 65.035 -5.735 3.762 1.00 0.00 C ATOM 1020 CG1 VAL A 69 65.639 -5.650 2.372 1.00 0.00 C ATOM 1021 CG2 VAL A 69 64.678 -4.342 4.252 1.00 0.00 C ATOM 0 H VAL A 69 63.854 -6.812 5.861 1.00 0.00 H new ATOM 0 HA VAL A 69 63.023 -6.148 3.140 1.00 0.00 H new ATOM 0 HB VAL A 69 65.772 -6.178 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 69 66.521 -5.011 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 69 65.923 -6.648 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 69 64.907 -5.231 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 69 65.569 -3.714 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 69 63.923 -3.908 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 69 64.285 -4.403 5.267 1.00 0.00 H new ATOM 1031 N LEU A 70 63.785 -8.177 1.899 1.00 0.00 N ATOM 1032 CA LEU A 70 63.986 -9.425 1.208 1.00 0.00 C ATOM 1033 C LEU A 70 65.162 -9.287 0.271 1.00 0.00 C ATOM 1034 O LEU A 70 66.141 -10.030 0.360 1.00 0.00 O ATOM 1035 CB LEU A 70 62.735 -9.772 0.397 1.00 0.00 C ATOM 1036 CG LEU A 70 61.433 -9.874 1.183 1.00 0.00 C ATOM 1037 CD1 LEU A 70 60.263 -10.018 0.238 1.00 0.00 C ATOM 1038 CD2 LEU A 70 61.480 -11.051 2.140 1.00 0.00 C ATOM 0 H LEU A 70 63.406 -7.434 1.311 1.00 0.00 H new ATOM 0 HA LEU A 70 64.178 -10.216 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 70 62.609 -9.017 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 70 62.906 -10.723 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 70 61.307 -8.960 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 70 59.339 -10.090 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 70 60.216 -9.149 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 70 60.389 -10.919 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 70 60.542 -11.108 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 70 61.626 -11.973 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 70 62.306 -10.919 2.839 1.00 0.00 H new ATOM 1050 N ALA A 71 65.081 -8.318 -0.608 1.00 0.00 N ATOM 1051 CA ALA A 71 66.110 -8.115 -1.577 1.00 0.00 C ATOM 1052 C ALA A 71 66.451 -6.662 -1.688 1.00 0.00 C ATOM 1053 O ALA A 71 65.567 -5.820 -1.803 1.00 0.00 O ATOM 1054 CB ALA A 71 65.669 -8.648 -2.924 1.00 0.00 C ATOM 0 H ALA A 71 64.305 -7.658 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 71 66.999 -8.656 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 71 66.461 -8.488 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 71 65.460 -9.715 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 71 64.768 -8.125 -3.245 1.00 0.00 H new ATOM 1060 N VAL A 72 67.710 -6.368 -1.633 1.00 0.00 N ATOM 1061 CA VAL A 72 68.183 -5.031 -1.827 1.00 0.00 C ATOM 1062 C VAL A 72 68.870 -4.998 -3.177 1.00 0.00 C ATOM 1063 O VAL A 72 69.911 -5.623 -3.375 1.00 0.00 O ATOM 1064 CB VAL A 72 69.190 -4.598 -0.718 1.00 0.00 C ATOM 1065 CG1 VAL A 72 69.654 -3.159 -0.932 1.00 0.00 C ATOM 1066 CG2 VAL A 72 68.574 -4.752 0.670 1.00 0.00 C ATOM 0 H VAL A 72 68.445 -7.051 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 72 67.343 -4.338 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 72 70.058 -5.254 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 72 70.355 -2.882 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 72 70.145 -3.075 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.793 -2.491 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 72 69.297 -4.443 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 72 67.683 -4.128 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.301 -5.795 0.833 1.00 0.00 H new ATOM 1076 N SER A 73 68.257 -4.346 -4.103 1.00 0.00 N ATOM 1077 CA SER A 73 68.767 -4.244 -5.431 1.00 0.00 C ATOM 1078 C SER A 73 69.422 -2.876 -5.624 1.00 0.00 C ATOM 1079 O SER A 73 68.778 -1.833 -5.454 1.00 0.00 O ATOM 1080 CB SER A 73 67.612 -4.453 -6.401 1.00 0.00 C ATOM 1081 OG SER A 73 66.976 -5.713 -6.167 1.00 0.00 O ATOM 0 H SER A 73 67.372 -3.860 -3.959 1.00 0.00 H new ATOM 0 HA SER A 73 69.527 -5.003 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 73 66.886 -3.647 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 73 67.980 -4.411 -7.426 1.00 0.00 H new ATOM 0 HG SER A 73 66.236 -5.828 -6.799 1.00 0.00 H new ATOM 1087 N LEU A 74 70.695 -2.879 -5.941 1.00 0.00 N ATOM 1088 CA LEU A 74 71.438 -1.652 -6.120 1.00 0.00 C ATOM 1089 C LEU A 74 71.249 -1.156 -7.559 1.00 0.00 C ATOM 1090 O LEU A 74 71.175 -1.959 -8.492 1.00 0.00 O ATOM 1091 CB LEU A 74 72.932 -1.900 -5.821 1.00 0.00 C ATOM 1092 CG LEU A 74 73.642 -0.890 -4.890 1.00 0.00 C ATOM 1093 CD1 LEU A 74 75.086 -1.307 -4.657 1.00 0.00 C ATOM 1094 CD2 LEU A 74 73.584 0.533 -5.439 1.00 0.00 C ATOM 0 H LEU A 74 71.244 -3.727 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 74 71.071 -0.891 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 74 73.028 -2.892 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 74 73.468 -1.920 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 74 73.110 -0.896 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 74 75.572 -0.586 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 74 75.110 -2.293 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 74 75.613 -1.341 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 74 74.095 1.209 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 74 74.072 0.567 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 74 72.544 0.841 -5.544 1.00 0.00 H new ATOM 1106 N VAL A 75 71.152 0.156 -7.722 1.00 0.00 N ATOM 1107 CA VAL A 75 70.970 0.796 -9.036 1.00 0.00 C ATOM 1108 C VAL A 75 72.231 0.614 -9.922 1.00 0.00 C ATOM 1109 O VAL A 75 72.183 0.737 -11.160 1.00 0.00 O ATOM 1110 CB VAL A 75 70.658 2.317 -8.857 1.00 0.00 C ATOM 1111 CG1 VAL A 75 71.884 3.109 -8.405 1.00 0.00 C ATOM 1112 CG2 VAL A 75 70.009 2.920 -10.099 1.00 0.00 C ATOM 0 H VAL A 75 71.197 0.818 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 75 70.128 0.315 -9.534 1.00 0.00 H new ATOM 0 HB VAL A 75 69.926 2.393 -8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 75 71.618 4.160 -8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 75 72.235 2.721 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 75 72.675 3.011 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 75 69.810 3.978 -9.928 1.00 0.00 H new ATOM 0 HG22 VAL A 75 70.681 2.810 -10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 75 69.072 2.404 -10.307 1.00 0.00 H new ATOM 1122 N TYR A 76 73.329 0.328 -9.272 1.00 0.00 N ATOM 1123 CA TYR A 76 74.606 0.127 -9.892 1.00 0.00 C ATOM 1124 C TYR A 76 75.374 -0.828 -9.017 1.00 0.00 C ATOM 1125 O TYR A 76 75.400 -0.656 -7.808 1.00 0.00 O ATOM 1126 CB TYR A 76 75.345 1.476 -10.006 1.00 0.00 C ATOM 1127 CG TYR A 76 76.748 1.393 -10.579 1.00 0.00 C ATOM 1128 CD1 TYR A 76 76.953 1.225 -11.938 1.00 0.00 C ATOM 1129 CD2 TYR A 76 77.867 1.472 -9.753 1.00 0.00 C ATOM 1130 CE1 TYR A 76 78.224 1.146 -12.464 1.00 0.00 C ATOM 1131 CE2 TYR A 76 79.145 1.393 -10.273 1.00 0.00 C ATOM 1132 CZ TYR A 76 79.316 1.225 -11.628 1.00 0.00 C ATOM 1133 OH TYR A 76 80.591 1.146 -12.162 1.00 0.00 O ATOM 0 H TYR A 76 73.356 0.226 -8.258 1.00 0.00 H new ATOM 0 HA TYR A 76 74.501 -0.280 -10.898 1.00 0.00 H new ATOM 0 HB2 TYR A 76 74.753 2.146 -10.630 1.00 0.00 H new ATOM 0 HB3 TYR A 76 75.399 1.928 -9.016 1.00 0.00 H new ATOM 0 HD1 TYR A 76 76.101 1.155 -12.598 1.00 0.00 H new ATOM 0 HD2 TYR A 76 77.734 1.597 -8.689 1.00 0.00 H new ATOM 0 HE1 TYR A 76 78.364 1.023 -13.528 1.00 0.00 H new ATOM 0 HE2 TYR A 76 80.003 1.463 -9.621 1.00 0.00 H new ATOM 0 HH TYR A 76 81.252 1.219 -11.442 1.00 0.00 H new ATOM 1143 N HIS A 77 75.955 -1.834 -9.591 1.00 0.00 N ATOM 1144 CA HIS A 77 76.699 -2.777 -8.808 1.00 0.00 C ATOM 1145 C HIS A 77 78.078 -2.206 -8.561 1.00 0.00 C ATOM 1146 O HIS A 77 78.788 -1.857 -9.508 1.00 0.00 O ATOM 1147 CB HIS A 77 76.799 -4.133 -9.516 1.00 0.00 C ATOM 1148 CG HIS A 77 77.281 -5.248 -8.621 1.00 0.00 C ATOM 1149 ND1 HIS A 77 78.608 -5.507 -8.329 1.00 0.00 N ATOM 1150 CD2 HIS A 77 76.567 -6.184 -7.943 1.00 0.00 C ATOM 1151 CE1 HIS A 77 78.661 -6.561 -7.514 1.00 0.00 C ATOM 1152 NE2 HIS A 77 77.442 -7.012 -7.245 1.00 0.00 N ATOM 0 H HIS A 77 75.931 -2.025 -10.593 1.00 0.00 H new ATOM 0 HA HIS A 77 76.186 -2.946 -7.861 1.00 0.00 H new ATOM 0 HB2 HIS A 77 75.820 -4.397 -9.917 1.00 0.00 H new ATOM 0 HB3 HIS A 77 77.477 -4.041 -10.365 1.00 0.00 H new ATOM 0 HD1 HIS A 77 79.409 -4.981 -8.678 1.00 0.00 H new ATOM 0 HD2 HIS A 77 75.491 -6.272 -7.945 1.00 0.00 H new ATOM 0 HE1 HIS A 77 79.573 -6.990 -7.125 1.00 0.00 H new ATOM 1160 N GLN A 78 78.442 -2.089 -7.307 1.00 0.00 N ATOM 1161 CA GLN A 78 79.731 -1.547 -6.930 1.00 0.00 C ATOM 1162 C GLN A 78 80.873 -2.512 -7.273 1.00 0.00 C ATOM 1163 O GLN A 78 80.648 -3.566 -7.892 1.00 0.00 O ATOM 1164 CB GLN A 78 79.741 -1.121 -5.457 1.00 0.00 C ATOM 1165 CG GLN A 78 79.428 -2.222 -4.456 1.00 0.00 C ATOM 1166 CD GLN A 78 79.414 -1.692 -3.037 1.00 0.00 C ATOM 1167 OE1 GLN A 78 80.112 -0.737 -2.717 1.00 0.00 O ATOM 1168 NE2 GLN A 78 78.630 -2.298 -2.180 1.00 0.00 N ATOM 0 H GLN A 78 77.857 -2.365 -6.519 1.00 0.00 H new ATOM 0 HA GLN A 78 79.903 -0.648 -7.521 1.00 0.00 H new ATOM 0 HB2 GLN A 78 80.722 -0.709 -5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 78 79.017 -0.317 -5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 78 78.460 -2.664 -4.690 1.00 0.00 H new ATOM 0 HG3 GLN A 78 80.170 -3.016 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 78 78.062 -3.090 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 78 78.588 -1.977 -1.213 1.00 0.00 H new ATOM 1177 N GLN A 79 82.069 -2.168 -6.890 1.00 0.00 N ATOM 1178 CA GLN A 79 83.223 -2.933 -7.286 1.00 0.00 C ATOM 1179 C GLN A 79 84.069 -3.312 -6.095 1.00 0.00 C ATOM 1180 O GLN A 79 83.860 -2.810 -4.976 1.00 0.00 O ATOM 1181 CB GLN A 79 84.084 -2.103 -8.236 1.00 0.00 C ATOM 1182 CG GLN A 79 84.639 -0.832 -7.613 1.00 0.00 C ATOM 1183 CD GLN A 79 85.703 -0.174 -8.456 1.00 0.00 C ATOM 1184 OE1 GLN A 79 86.610 0.461 -7.928 1.00 0.00 O ATOM 1185 NE2 GLN A 79 85.622 -0.316 -9.750 1.00 0.00 N ATOM 0 H GLN A 79 82.274 -1.360 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 79 82.867 -3.841 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 79 84.914 -2.716 -8.588 1.00 0.00 H new ATOM 0 HB3 GLN A 79 83.490 -1.838 -9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 79 83.823 -0.127 -7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 79 85.054 -1.067 -6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 79 84.855 -0.851 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 79 86.326 0.107 -10.355 1.00 0.00 H new ATOM 1194 N GLU A 80 85.048 -4.149 -6.350 1.00 0.00 N ATOM 1195 CA GLU A 80 86.043 -4.499 -5.376 1.00 0.00 C ATOM 1196 C GLU A 80 87.080 -3.384 -5.346 1.00 0.00 C ATOM 1197 O GLU A 80 88.182 -3.531 -5.862 1.00 0.00 O ATOM 1198 CB GLU A 80 86.731 -5.829 -5.741 1.00 0.00 C ATOM 1199 CG GLU A 80 85.843 -7.061 -5.681 1.00 0.00 C ATOM 1200 CD GLU A 80 85.480 -7.451 -4.271 1.00 0.00 C ATOM 1201 OE1 GLU A 80 86.296 -8.157 -3.609 1.00 0.00 O ATOM 1202 OE2 GLU A 80 84.385 -7.098 -3.804 1.00 0.00 O ATOM 0 H GLU A 80 85.173 -4.609 -7.252 1.00 0.00 H new ATOM 0 HA GLU A 80 85.570 -4.622 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 80 87.137 -5.744 -6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 80 87.576 -5.978 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 80 84.931 -6.874 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 80 86.353 -7.895 -6.164 1.00 0.00 H new ATOM 1209 N GLU A 81 86.677 -2.223 -4.831 1.00 0.00 N ATOM 1210 CA GLU A 81 87.581 -1.089 -4.737 1.00 0.00 C ATOM 1211 C GLU A 81 88.671 -1.452 -3.754 1.00 0.00 C ATOM 1212 O GLU A 81 89.853 -1.179 -3.963 1.00 0.00 O ATOM 1213 CB GLU A 81 86.835 0.171 -4.303 1.00 0.00 C ATOM 1214 CG GLU A 81 87.678 1.430 -4.364 1.00 0.00 C ATOM 1215 CD GLU A 81 86.908 2.653 -3.978 1.00 0.00 C ATOM 1216 OE1 GLU A 81 86.148 3.189 -4.824 1.00 0.00 O ATOM 1217 OE2 GLU A 81 87.038 3.103 -2.838 1.00 0.00 O ATOM 0 H GLU A 81 85.737 -2.048 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 81 88.018 -0.870 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 81 85.958 0.300 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 81 86.473 0.036 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 81 88.537 1.321 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 81 88.068 1.554 -5.374 1.00 0.00 H new ATOM 1224 N GLN A 82 88.243 -2.091 -2.698 1.00 0.00 N ATOM 1225 CA GLN A 82 89.113 -2.693 -1.747 1.00 0.00 C ATOM 1226 C GLN A 82 88.887 -4.174 -1.873 1.00 0.00 C ATOM 1227 O GLN A 82 87.960 -4.727 -1.281 1.00 0.00 O ATOM 1228 CB GLN A 82 88.823 -2.214 -0.312 1.00 0.00 C ATOM 1229 CG GLN A 82 88.996 -0.716 -0.121 1.00 0.00 C ATOM 1230 CD GLN A 82 90.402 -0.223 -0.444 1.00 0.00 C ATOM 1231 OE1 GLN A 82 90.570 0.904 -0.902 1.00 0.00 O ATOM 1232 NE2 GLN A 82 91.412 -1.035 -0.202 1.00 0.00 N ATOM 0 H GLN A 82 87.254 -2.205 -2.478 1.00 0.00 H new ATOM 0 HA GLN A 82 90.150 -2.419 -1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 82 87.803 -2.490 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 82 89.485 -2.738 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 82 88.281 -0.191 -0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 82 88.757 -0.459 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 82 91.239 -1.965 0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 82 92.367 -0.733 -0.395 1.00 0.00 H new ATOM 1241 N GLY A 83 89.638 -4.778 -2.748 1.00 0.00 N ATOM 1242 CA GLY A 83 89.483 -6.169 -3.011 1.00 0.00 C ATOM 1243 C GLY A 83 90.349 -7.007 -2.129 1.00 0.00 C ATOM 1244 O GLY A 83 91.339 -6.508 -1.555 1.00 0.00 O ATOM 0 H GLY A 83 90.368 -4.319 -3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.440 -6.451 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.727 -6.370 -4.054 1.00 0.00 H new ATOM 1248 N GLU A 84 89.978 -8.271 -2.013 1.00 0.00 N ATOM 1249 CA GLU A 84 90.679 -9.267 -1.221 1.00 0.00 C ATOM 1250 C GLU A 84 90.599 -8.966 0.272 1.00 0.00 C ATOM 1251 O GLU A 84 91.405 -9.455 1.068 1.00 0.00 O ATOM 1252 CB GLU A 84 92.111 -9.485 -1.732 1.00 0.00 C ATOM 1253 CG GLU A 84 92.132 -10.009 -3.165 1.00 0.00 C ATOM 1254 CD GLU A 84 93.510 -10.204 -3.720 1.00 0.00 C ATOM 1255 OE1 GLU A 84 94.107 -9.224 -4.216 1.00 0.00 O ATOM 1256 OE2 GLU A 84 94.019 -11.343 -3.699 1.00 0.00 O ATOM 0 H GLU A 84 89.153 -8.644 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 84 90.168 -10.221 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 84 92.661 -8.545 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 84 92.625 -10.191 -1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 84 91.598 -10.959 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 84 91.589 -9.313 -3.804 1.00 0.00 H new ATOM 1263 N GLU A 85 89.568 -8.203 0.644 1.00 0.00 N ATOM 1264 CA GLU A 85 89.261 -7.948 2.044 1.00 0.00 C ATOM 1265 C GLU A 85 88.684 -9.212 2.633 1.00 0.00 C ATOM 1266 O GLU A 85 88.801 -9.486 3.824 1.00 0.00 O ATOM 1267 CB GLU A 85 88.274 -6.796 2.193 1.00 0.00 C ATOM 1268 CG GLU A 85 88.848 -5.444 1.826 1.00 0.00 C ATOM 1269 CD GLU A 85 90.037 -5.092 2.680 1.00 0.00 C ATOM 1270 OE1 GLU A 85 89.855 -4.814 3.883 1.00 0.00 O ATOM 1271 OE2 GLU A 85 91.180 -5.088 2.167 1.00 0.00 O ATOM 0 H GLU A 85 88.932 -7.751 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 85 90.172 -7.662 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 85 87.404 -6.993 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 85 87.923 -6.763 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 85 89.142 -5.447 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 85 88.079 -4.680 1.940 1.00 0.00 H new ATOM 1278 N THR A 86 88.050 -9.966 1.776 1.00 0.00 N ATOM 1279 CA THR A 86 87.591 -11.264 2.092 1.00 0.00 C ATOM 1280 C THR A 86 88.319 -12.247 1.134 1.00 0.00 C ATOM 1281 O THR A 86 87.912 -12.455 -0.010 1.00 0.00 O ATOM 1282 CB THR A 86 86.016 -11.360 2.039 1.00 0.00 C ATOM 1283 OG1 THR A 86 85.552 -12.682 2.329 1.00 0.00 O ATOM 1284 CG2 THR A 86 85.432 -10.876 0.709 1.00 0.00 C ATOM 0 H THR A 86 87.841 -9.675 0.821 1.00 0.00 H new ATOM 0 HA THR A 86 87.831 -11.530 3.121 1.00 0.00 H new ATOM 0 HB THR A 86 85.657 -10.687 2.817 1.00 0.00 H new ATOM 0 HG1 THR A 86 84.573 -12.701 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 86 84.346 -10.967 0.734 1.00 0.00 H new ATOM 0 HG22 THR A 86 85.706 -9.833 0.550 1.00 0.00 H new ATOM 0 HG23 THR A 86 85.828 -11.483 -0.105 1.00 0.00 H new ATOM 1292 N PRO A 87 89.470 -12.778 1.566 1.00 0.00 N ATOM 1293 CA PRO A 87 90.302 -13.628 0.728 1.00 0.00 C ATOM 1294 C PRO A 87 89.785 -15.062 0.649 1.00 0.00 C ATOM 1295 O PRO A 87 88.882 -15.453 1.402 1.00 0.00 O ATOM 1296 CB PRO A 87 91.662 -13.576 1.423 1.00 0.00 C ATOM 1297 CG PRO A 87 91.356 -13.346 2.863 1.00 0.00 C ATOM 1298 CD PRO A 87 90.040 -12.612 2.922 1.00 0.00 C ATOM 0 HA PRO A 87 90.324 -13.288 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 87 92.213 -14.506 1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 87 92.280 -12.775 1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 87 91.294 -14.292 3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 87 92.145 -12.762 3.336 1.00 0.00 H new ATOM 0 HD2 PRO A 87 89.384 -13.032 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 87 90.182 -11.560 3.168 1.00 0.00 H new ATOM 1306 N ARG A 88 90.346 -15.843 -0.258 1.00 0.00 N ATOM 1307 CA ARG A 88 89.933 -17.225 -0.404 1.00 0.00 C ATOM 1308 C ARG A 88 90.535 -18.072 0.720 1.00 0.00 C ATOM 1309 O ARG A 88 89.946 -19.070 1.149 1.00 0.00 O ATOM 1310 CB ARG A 88 90.285 -17.788 -1.793 1.00 0.00 C ATOM 1311 CG ARG A 88 91.775 -17.895 -2.096 1.00 0.00 C ATOM 1312 CD ARG A 88 92.014 -18.475 -3.475 1.00 0.00 C ATOM 1313 NE ARG A 88 91.297 -19.741 -3.672 1.00 0.00 N ATOM 1314 CZ ARG A 88 90.578 -20.062 -4.764 1.00 0.00 C ATOM 1315 NH1 ARG A 88 90.523 -19.221 -5.802 1.00 0.00 N ATOM 1316 NH2 ARG A 88 89.915 -21.216 -4.804 1.00 0.00 N ATOM 0 H ARG A 88 91.082 -15.546 -0.899 1.00 0.00 H new ATOM 0 HA ARG A 88 88.847 -17.266 -0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 88 89.840 -18.778 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 88 89.822 -17.156 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 88 92.234 -16.909 -2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 88 92.257 -18.522 -1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 88 91.695 -17.757 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 88 93.082 -18.637 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 88 91.348 -20.431 -2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 88 91.026 -18.335 -5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 88 89.978 -19.466 -6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 88 89.953 -21.854 -4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 88 89.369 -21.462 -5.630 1.00 0.00 H new ATOM 1330 N SER A 89 91.687 -17.664 1.196 1.00 0.00 N ATOM 1331 CA SER A 89 92.311 -18.315 2.300 1.00 0.00 C ATOM 1332 C SER A 89 91.734 -17.661 3.552 1.00 0.00 C ATOM 1333 O SER A 89 91.962 -16.477 3.800 1.00 0.00 O ATOM 1334 CB SER A 89 93.850 -18.140 2.217 1.00 0.00 C ATOM 1335 OG SER A 89 94.548 -18.972 3.148 1.00 0.00 O ATOM 0 H SER A 89 92.210 -16.872 0.823 1.00 0.00 H new ATOM 0 HA SER A 89 92.121 -19.388 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 89 94.185 -18.372 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 89 94.104 -17.097 2.405 1.00 0.00 H new ATOM 0 HG SER A 89 94.601 -18.519 4.016 1.00 0.00 H new ATOM 1341 N HIS A 90 90.940 -18.409 4.293 1.00 0.00 N ATOM 1342 CA HIS A 90 90.255 -17.875 5.459 1.00 0.00 C ATOM 1343 C HIS A 90 91.205 -17.758 6.642 1.00 0.00 C ATOM 1344 O HIS A 90 90.951 -17.015 7.587 1.00 0.00 O ATOM 1345 CB HIS A 90 89.011 -18.712 5.810 1.00 0.00 C ATOM 1346 CG HIS A 90 87.966 -18.751 4.715 1.00 0.00 C ATOM 1347 ND1 HIS A 90 87.476 -19.915 4.163 1.00 0.00 N ATOM 1348 CD2 HIS A 90 87.302 -17.738 4.094 1.00 0.00 C ATOM 1349 CE1 HIS A 90 86.560 -19.591 3.247 1.00 0.00 C ATOM 1350 NE2 HIS A 90 86.410 -18.275 3.163 1.00 0.00 N ATOM 0 H HIS A 90 90.751 -19.394 4.109 1.00 0.00 H new ATOM 0 HA HIS A 90 89.909 -16.871 5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 90 89.324 -19.731 6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 90 88.558 -18.309 6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 90 87.443 -16.685 4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 90 86.012 -20.307 2.652 1.00 0.00 H new ATOM 0 HE2 HIS A 90 85.777 -17.764 2.548 1.00 0.00 H new ATOM 1358 N HIS A 91 92.286 -18.500 6.590 1.00 0.00 N ATOM 1359 CA HIS A 91 93.329 -18.392 7.583 1.00 0.00 C ATOM 1360 C HIS A 91 94.291 -17.328 7.133 1.00 0.00 C ATOM 1361 O HIS A 91 94.544 -17.178 5.930 1.00 0.00 O ATOM 1362 CB HIS A 91 94.083 -19.717 7.785 1.00 0.00 C ATOM 1363 CG HIS A 91 93.279 -20.803 8.429 1.00 0.00 C ATOM 1364 ND1 HIS A 91 93.555 -21.326 9.676 1.00 0.00 N ATOM 1365 CD2 HIS A 91 92.213 -21.500 7.961 1.00 0.00 C ATOM 1366 CE1 HIS A 91 92.678 -22.299 9.915 1.00 0.00 C ATOM 1367 NE2 HIS A 91 91.836 -22.445 8.904 1.00 0.00 N ATOM 0 H HIS A 91 92.467 -19.192 5.863 1.00 0.00 H new ATOM 0 HA HIS A 91 92.873 -18.136 8.539 1.00 0.00 H new ATOM 0 HB2 HIS A 91 94.435 -20.070 6.816 1.00 0.00 H new ATOM 0 HB3 HIS A 91 94.966 -19.527 8.395 1.00 0.00 H new ATOM 0 HD2 HIS A 91 91.734 -21.344 7.006 1.00 0.00 H new ATOM 0 HE1 HIS A 91 92.656 -22.892 10.817 1.00 0.00 H new ATOM 0 HE2 HIS A 91 91.069 -23.114 8.833 1.00 0.00 H new ATOM 1375 N HIS A 92 94.809 -16.586 8.058 1.00 0.00 N ATOM 1376 CA HIS A 92 95.706 -15.514 7.733 1.00 0.00 C ATOM 1377 C HIS A 92 97.110 -15.971 7.438 1.00 0.00 C ATOM 1378 O HIS A 92 97.552 -17.048 7.877 1.00 0.00 O ATOM 1379 CB HIS A 92 95.666 -14.394 8.766 1.00 0.00 C ATOM 1380 CG HIS A 92 94.454 -13.538 8.615 1.00 0.00 C ATOM 1381 ND1 HIS A 92 94.416 -12.403 7.836 1.00 0.00 N ATOM 1382 CD2 HIS A 92 93.209 -13.690 9.112 1.00 0.00 C ATOM 1383 CE1 HIS A 92 93.181 -11.915 7.876 1.00 0.00 C ATOM 1384 NE2 HIS A 92 92.402 -12.657 8.639 1.00 0.00 N ATOM 0 H HIS A 92 94.627 -16.701 9.055 1.00 0.00 H new ATOM 0 HA HIS A 92 95.334 -15.097 6.797 1.00 0.00 H new ATOM 0 HB2 HIS A 92 95.684 -14.824 9.768 1.00 0.00 H new ATOM 0 HB3 HIS A 92 96.560 -13.778 8.668 1.00 0.00 H new ATOM 0 HD2 HIS A 92 92.889 -14.484 9.770 1.00 0.00 H new ATOM 0 HE1 HIS A 92 92.857 -11.027 7.353 1.00 0.00 H new ATOM 0 HE2 HIS A 92 91.414 -12.506 8.841 1.00 0.00 H new ATOM 1392 N HIS A 93 97.796 -15.138 6.699 1.00 0.00 N ATOM 1393 CA HIS A 93 99.142 -15.369 6.230 1.00 0.00 C ATOM 1394 C HIS A 93 100.127 -15.258 7.391 1.00 0.00 C ATOM 1395 O HIS A 93 101.147 -15.956 7.440 1.00 0.00 O ATOM 1396 CB HIS A 93 99.435 -14.313 5.140 1.00 0.00 C ATOM 1397 CG HIS A 93 100.793 -14.357 4.513 1.00 0.00 C ATOM 1398 ND1 HIS A 93 101.675 -13.298 4.541 1.00 0.00 N ATOM 1399 CD2 HIS A 93 101.383 -15.315 3.769 1.00 0.00 C ATOM 1400 CE1 HIS A 93 102.743 -13.628 3.830 1.00 0.00 C ATOM 1401 NE2 HIS A 93 102.619 -14.850 3.335 1.00 0.00 N ATOM 0 H HIS A 93 97.418 -14.241 6.393 1.00 0.00 H new ATOM 0 HA HIS A 93 99.249 -16.371 5.814 1.00 0.00 H new ATOM 0 HB2 HIS A 93 98.691 -14.423 4.351 1.00 0.00 H new ATOM 0 HB3 HIS A 93 99.293 -13.324 5.576 1.00 0.00 H new ATOM 0 HD2 HIS A 93 100.964 -16.285 3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 93 103.599 -12.987 3.675 1.00 0.00 H new ATOM 0 HE2 HIS A 93 103.293 -15.348 2.754 1.00 0.00 H new ATOM 1409 N HIS A 94 99.795 -14.406 8.326 1.00 0.00 N ATOM 1410 CA HIS A 94 100.631 -14.174 9.476 1.00 0.00 C ATOM 1411 C HIS A 94 100.326 -15.183 10.556 1.00 0.00 C ATOM 1412 O HIS A 94 99.162 -15.478 10.841 1.00 0.00 O ATOM 1413 CB HIS A 94 100.473 -12.735 10.001 1.00 0.00 C ATOM 1414 CG HIS A 94 100.900 -11.693 9.009 1.00 0.00 C ATOM 1415 ND1 HIS A 94 100.147 -10.593 8.661 1.00 0.00 N ATOM 1416 CD2 HIS A 94 102.041 -11.607 8.289 1.00 0.00 C ATOM 1417 CE1 HIS A 94 100.838 -9.892 7.758 1.00 0.00 C ATOM 1418 NE2 HIS A 94 102.002 -10.468 7.496 1.00 0.00 N ATOM 0 H HIS A 94 98.938 -13.853 8.312 1.00 0.00 H new ATOM 0 HA HIS A 94 101.671 -14.297 9.173 1.00 0.00 H new ATOM 0 HB2 HIS A 94 99.430 -12.566 10.270 1.00 0.00 H new ATOM 0 HB3 HIS A 94 101.060 -12.621 10.913 1.00 0.00 H new ATOM 0 HD2 HIS A 94 102.856 -12.314 8.325 1.00 0.00 H new ATOM 0 HE1 HIS A 94 100.493 -8.976 7.301 1.00 0.00 H new ATOM 0 HE2 HIS A 94 102.719 -10.143 6.848 1.00 0.00 H new ATOM 1426 N HIS A 95 101.360 -15.723 11.121 1.00 0.00 N ATOM 1427 CA HIS A 95 101.257 -16.712 12.161 1.00 0.00 C ATOM 1428 C HIS A 95 101.811 -16.127 13.436 1.00 0.00 C ATOM 1429 O HIS A 95 101.237 -16.336 14.509 1.00 0.00 O ATOM 1430 CB HIS A 95 101.974 -18.040 11.781 1.00 0.00 C ATOM 1431 CG HIS A 95 103.467 -17.959 11.548 1.00 0.00 C ATOM 1432 ND1 HIS A 95 104.406 -18.601 12.332 1.00 0.00 N ATOM 1433 CD2 HIS A 95 104.170 -17.329 10.572 1.00 0.00 C ATOM 1434 CE1 HIS A 95 105.610 -18.350 11.826 1.00 0.00 C ATOM 1435 NE2 HIS A 95 105.528 -17.576 10.752 1.00 0.00 N ATOM 1436 OXT HIS A 95 102.794 -15.361 13.349 1.00 0.00 O ATOM 0 H HIS A 95 102.321 -15.488 10.871 1.00 0.00 H new ATOM 0 HA HIS A 95 100.208 -16.971 12.303 1.00 0.00 H new ATOM 0 HB2 HIS A 95 101.791 -18.765 12.574 1.00 0.00 H new ATOM 0 HB3 HIS A 95 101.508 -18.432 10.877 1.00 0.00 H new ATOM 0 HD2 HIS A 95 103.743 -16.731 9.781 1.00 0.00 H new ATOM 0 HE1 HIS A 95 106.535 -18.728 12.236 1.00 0.00 H new ATOM 0 HE2 HIS A 95 106.299 -17.234 10.178 1.00 0.00 H new TER 1444 HIS A 95