USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 85 TYR OH : rot -13:sc= 0.69 USER MOD Set 1.2: A 105 THR OG1 : rot 170:sc= 1.05 USER MOD Set 2.1: A 28 GLN : amide:sc= 0.074 X(o=0.15,f=-0.065) USER MOD Set 2.2: A 57 GLN : amide:sc= 0.073 X(o=0.15,f=-0.065) USER MOD Set 2.3: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 25 GLN : amide:sc= 0.0205 X(o=0.038,f=0.075) USER MOD Set 3.2: A 26 TYR OH : rot 45:sc= 0.0172 USER MOD Set 4.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 10 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 1 PCA N :NH3+ -154:sc= 0.434 (180deg=0.169) USER MOD Single : A 2 SER OG : rot 58:sc= 0.114 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : A 11 TYR OH : rot 150:sc= -0.533 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.19) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.914 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 32 THR OG1 : rot -92:sc= -0.0271 USER MOD Single : A 35 SER OG : rot 60:sc= 0.156 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 37 THR OG1 : rot -95:sc= 1.44 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.17) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc=-0.00113 X(o=-0.0011,f=-0.0011) USER MOD Single : A 44 ASN : amide:sc= -1.38 K(o=-1.4,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -126:sc=-0.00862 (180deg=-0.964) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : A 71 SER OG : rot 29:sc= 0.691 USER MOD Single : A 80 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.21) USER MOD Single : A 82 ASN : amide:sc= -0.0134 K(o=-0.013,f=-0.57) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -2.66 X(o=-2.7,f=-2.5!) USER MOD Single : A 92 THR OG1 : rot -140:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc=-0.00166 USER MOD Single : A 97 ASN : amide:sc=-0.00389 X(o=-0.0039,f=-0.0039) USER MOD Single : A 98 ASN : amide:sc= -0.295 K(o=-0.3,f=-2.5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 3.457 11.376 -8.177 1.00 0.00 N HETATM 2 CA PCA A 1 3.708 11.942 -6.845 1.00 0.00 C HETATM 3 CB PCA A 1 2.506 11.531 -5.981 1.00 0.00 C HETATM 4 CG PCA A 1 2.001 10.221 -6.591 1.00 0.00 C HETATM 5 CD PCA A 1 2.413 10.351 -8.055 1.00 0.00 C HETATM 6 OE PCA A 1 1.901 9.719 -8.976 1.00 0.00 O HETATM 7 C PCA A 1 5.047 11.445 -6.294 1.00 0.00 C HETATM 8 O PCA A 1 5.085 10.533 -5.469 1.00 0.00 O HETATM 0 H2 PCA A 1 2.830 12.011 -8.711 1.00 0.00 H new HETATM 0 HA PCA A 1 3.795 13.028 -6.862 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.798 11.393 -4.940 1.00 0.00 H new HETATM 0 HB3 PCA A 1 1.730 12.297 -5.996 1.00 0.00 H new HETATM 0 HG2 PCA A 1 2.457 9.352 -6.118 1.00 0.00 H new HETATM 0 HG3 PCA A 1 0.922 10.113 -6.482 1.00 0.00 H new ATOM 15 N SER A 2 6.142 12.052 -6.772 1.00 0.00 N ATOM 16 CA SER A 2 7.512 11.728 -6.400 1.00 0.00 C ATOM 17 C SER A 2 8.277 12.978 -5.959 1.00 0.00 C ATOM 18 O SER A 2 9.307 13.313 -6.541 1.00 0.00 O ATOM 19 CB SER A 2 8.169 11.035 -7.595 1.00 0.00 C ATOM 20 OG SER A 2 8.167 11.865 -8.739 1.00 0.00 O ATOM 0 H SER A 2 6.088 12.809 -7.453 1.00 0.00 H new ATOM 0 HA SER A 2 7.525 11.056 -5.542 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.194 10.765 -7.342 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.640 10.108 -7.816 1.00 0.00 H new ATOM 0 HG SER A 2 8.638 12.700 -8.538 1.00 0.00 H new ATOM 26 N ALA A 3 7.764 13.651 -4.919 1.00 0.00 N ATOM 27 CA ALA A 3 8.301 14.872 -4.318 1.00 0.00 C ATOM 28 C ALA A 3 8.171 16.067 -5.261 1.00 0.00 C ATOM 29 O ALA A 3 8.437 15.946 -6.454 1.00 0.00 O ATOM 30 CB ALA A 3 9.743 14.681 -3.831 1.00 0.00 C ATOM 0 H ALA A 3 6.914 13.336 -4.451 1.00 0.00 H new ATOM 0 HA ALA A 3 7.697 15.091 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.105 15.611 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.772 13.890 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.378 14.407 -4.673 1.00 0.00 H new ATOM 36 N THR A 4 7.749 17.221 -4.726 1.00 0.00 N ATOM 37 CA THR A 4 7.559 18.448 -5.487 1.00 0.00 C ATOM 38 C THR A 4 8.478 19.586 -5.051 1.00 0.00 C ATOM 39 O THR A 4 8.302 20.142 -3.970 1.00 0.00 O ATOM 40 CB THR A 4 6.108 18.914 -5.333 1.00 0.00 C ATOM 41 OG1 THR A 4 5.738 18.900 -3.974 1.00 0.00 O ATOM 42 CG2 THR A 4 5.151 18.013 -6.095 1.00 0.00 C ATOM 0 H THR A 4 7.528 17.322 -3.735 1.00 0.00 H new ATOM 0 HA THR A 4 7.804 18.212 -6.523 1.00 0.00 H new ATOM 0 HB THR A 4 6.047 19.925 -5.737 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.810 19.201 -3.885 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.130 18.373 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.406 18.024 -7.155 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.229 16.995 -5.714 1.00 0.00 H new ATOM 50 N THR A 5 9.449 19.937 -5.902 1.00 0.00 N ATOM 51 CA THR A 5 10.377 21.022 -5.702 1.00 0.00 C ATOM 52 C THR A 5 9.841 22.040 -6.706 1.00 0.00 C ATOM 53 O THR A 5 10.116 21.966 -7.903 1.00 0.00 O ATOM 54 CB THR A 5 11.821 20.538 -5.912 1.00 0.00 C ATOM 55 OG1 THR A 5 12.387 20.236 -4.654 1.00 0.00 O ATOM 56 CG2 THR A 5 12.681 21.585 -6.607 1.00 0.00 C ATOM 0 H THR A 5 9.604 19.443 -6.781 1.00 0.00 H new ATOM 0 HA THR A 5 10.436 21.452 -4.702 1.00 0.00 H new ATOM 0 HB THR A 5 11.792 19.656 -6.551 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.308 19.925 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.692 21.199 -6.734 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.255 21.816 -7.584 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.712 22.491 -6.002 1.00 0.00 H new ATOM 64 N CYS A 6 9.051 22.987 -6.193 1.00 0.00 N ATOM 65 CA CYS A 6 8.412 24.027 -6.977 1.00 0.00 C ATOM 66 C CYS A 6 9.290 25.274 -6.962 1.00 0.00 C ATOM 67 O CYS A 6 9.037 26.222 -6.219 1.00 0.00 O ATOM 68 CB CYS A 6 6.987 24.253 -6.446 1.00 0.00 C ATOM 69 SG CYS A 6 5.773 22.954 -6.860 1.00 0.00 S ATOM 0 H CYS A 6 8.838 23.046 -5.197 1.00 0.00 H new ATOM 0 HA CYS A 6 8.308 23.738 -8.023 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.034 24.348 -5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.621 25.204 -6.834 1.00 0.00 H new ATOM 74 N GLY A 7 10.331 25.239 -7.805 1.00 0.00 N ATOM 75 CA GLY A 7 11.310 26.298 -7.965 1.00 0.00 C ATOM 76 C GLY A 7 12.298 26.275 -6.804 1.00 0.00 C ATOM 77 O GLY A 7 13.360 25.662 -6.902 1.00 0.00 O ATOM 0 H GLY A 7 10.512 24.439 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.842 26.173 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.808 27.265 -8.007 1.00 0.00 H new ATOM 81 N SER A 8 11.925 26.950 -5.712 1.00 0.00 N ATOM 82 CA SER A 8 12.696 27.065 -4.482 1.00 0.00 C ATOM 83 C SER A 8 11.908 26.481 -3.310 1.00 0.00 C ATOM 84 O SER A 8 12.490 25.832 -2.443 1.00 0.00 O ATOM 85 CB SER A 8 13.048 28.537 -4.241 1.00 0.00 C ATOM 86 OG SER A 8 11.885 29.342 -4.209 1.00 0.00 O ATOM 0 H SER A 8 11.038 27.451 -5.665 1.00 0.00 H new ATOM 0 HA SER A 8 13.622 26.498 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.588 28.635 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.715 28.888 -5.028 1.00 0.00 H new ATOM 0 HG SER A 8 12.138 30.276 -4.052 1.00 0.00 H new ATOM 92 N THR A 9 10.587 26.713 -3.291 1.00 0.00 N ATOM 93 CA THR A 9 9.685 26.240 -2.254 1.00 0.00 C ATOM 94 C THR A 9 9.480 24.736 -2.455 1.00 0.00 C ATOM 95 O THR A 9 8.703 24.320 -3.314 1.00 0.00 O ATOM 96 CB THR A 9 8.377 27.042 -2.332 1.00 0.00 C ATOM 97 OG1 THR A 9 8.655 28.419 -2.492 1.00 0.00 O ATOM 98 CG2 THR A 9 7.555 26.872 -1.056 1.00 0.00 C ATOM 0 H THR A 9 10.114 27.249 -4.019 1.00 0.00 H new ATOM 0 HA THR A 9 10.092 26.391 -1.254 1.00 0.00 H new ATOM 0 HB THR A 9 7.814 26.666 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.814 28.919 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.634 27.450 -1.137 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.312 25.819 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.132 27.226 -0.202 1.00 0.00 H new ATOM 106 N ASN A 10 10.184 23.925 -1.655 1.00 0.00 N ATOM 107 CA ASN A 10 10.140 22.471 -1.732 1.00 0.00 C ATOM 108 C ASN A 10 9.146 21.847 -0.758 1.00 0.00 C ATOM 109 O ASN A 10 8.887 22.392 0.314 1.00 0.00 O ATOM 110 CB ASN A 10 11.538 21.896 -1.470 1.00 0.00 C ATOM 111 CG ASN A 10 12.634 22.570 -2.296 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.415 22.948 -3.445 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.823 22.719 -1.704 1.00 0.00 N ATOM 0 H ASN A 10 10.808 24.273 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 10 9.802 22.221 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.774 22.002 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.531 20.829 -1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.592 23.161 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.962 22.391 -0.748 1.00 0.00 H new ATOM 120 N TYR A 11 8.588 20.700 -1.164 1.00 0.00 N ATOM 121 CA TYR A 11 7.641 19.910 -0.398 1.00 0.00 C ATOM 122 C TYR A 11 7.878 18.418 -0.649 1.00 0.00 C ATOM 123 O TYR A 11 8.356 18.019 -1.712 1.00 0.00 O ATOM 124 CB TYR A 11 6.195 20.246 -0.771 1.00 0.00 C ATOM 125 CG TYR A 11 5.892 21.684 -1.137 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.678 22.637 -0.128 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.814 22.067 -2.491 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.395 23.968 -0.473 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.528 23.396 -2.832 1.00 0.00 C ATOM 130 CZ TYR A 11 5.322 24.346 -1.823 1.00 0.00 C ATOM 131 OH TYR A 11 5.059 25.641 -2.146 1.00 0.00 O ATOM 0 H TYR A 11 8.798 20.288 -2.073 1.00 0.00 H new ATOM 0 HA TYR A 11 7.796 20.147 0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.908 19.615 -1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.556 19.969 0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.731 22.347 0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.975 21.334 -3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.233 24.703 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.467 23.687 -3.870 1.00 0.00 H new ATOM 0 HH TYR A 11 5.489 25.859 -2.999 1.00 0.00 H new ATOM 141 N SER A 12 7.517 17.605 0.346 1.00 0.00 N ATOM 142 CA SER A 12 7.626 16.155 0.335 1.00 0.00 C ATOM 143 C SER A 12 6.561 15.525 -0.544 1.00 0.00 C ATOM 144 O SER A 12 5.540 16.143 -0.850 1.00 0.00 O ATOM 145 CB SER A 12 7.475 15.645 1.773 1.00 0.00 C ATOM 146 OG SER A 12 8.487 16.189 2.593 1.00 0.00 O ATOM 0 H SER A 12 7.124 17.961 1.217 1.00 0.00 H new ATOM 0 HA SER A 12 8.598 15.878 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.495 15.919 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.531 14.557 1.788 1.00 0.00 H new ATOM 0 HG SER A 12 8.379 15.858 3.509 1.00 0.00 H new ATOM 152 N ALA A 13 6.827 14.277 -0.957 1.00 0.00 N ATOM 153 CA ALA A 13 5.878 13.498 -1.731 1.00 0.00 C ATOM 154 C ALA A 13 4.656 13.299 -0.822 1.00 0.00 C ATOM 155 O ALA A 13 3.550 13.067 -1.305 1.00 0.00 O ATOM 156 CB ALA A 13 6.495 12.147 -2.103 1.00 0.00 C ATOM 0 H ALA A 13 7.702 13.792 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 13 5.603 13.998 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.778 11.567 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.395 12.309 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.752 11.602 -1.195 1.00 0.00 H new ATOM 162 N SER A 14 4.884 13.412 0.502 1.00 0.00 N ATOM 163 CA SER A 14 3.874 13.284 1.536 1.00 0.00 C ATOM 164 C SER A 14 2.948 14.498 1.482 1.00 0.00 C ATOM 165 O SER A 14 1.748 14.354 1.700 1.00 0.00 O ATOM 166 CB SER A 14 4.551 13.170 2.906 1.00 0.00 C ATOM 167 OG SER A 14 3.579 13.016 3.918 1.00 0.00 O ATOM 0 H SER A 14 5.813 13.601 0.879 1.00 0.00 H new ATOM 0 HA SER A 14 3.282 12.384 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.232 12.319 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.150 14.060 3.099 1.00 0.00 H new ATOM 0 HG SER A 14 4.022 12.943 4.789 1.00 0.00 H new ATOM 173 N GLN A 15 3.501 15.687 1.193 1.00 0.00 N ATOM 174 CA GLN A 15 2.754 16.928 1.084 1.00 0.00 C ATOM 175 C GLN A 15 1.802 16.854 -0.109 1.00 0.00 C ATOM 176 O GLN A 15 0.652 17.280 -0.016 1.00 0.00 O ATOM 177 CB GLN A 15 3.725 18.109 0.957 1.00 0.00 C ATOM 178 CG GLN A 15 3.066 19.410 1.424 1.00 0.00 C ATOM 179 CD GLN A 15 3.047 19.549 2.943 1.00 0.00 C ATOM 180 OE1 GLN A 15 1.991 19.454 3.565 1.00 0.00 O ATOM 181 NE2 GLN A 15 4.222 19.787 3.534 1.00 0.00 N ATOM 0 H GLN A 15 4.501 15.803 1.027 1.00 0.00 H new ATOM 0 HA GLN A 15 2.156 17.080 1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.619 17.916 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.046 18.211 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.599 20.257 0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.044 19.450 1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.071 19.857 2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.270 19.899 4.547 1.00 0.00 H new ATOM 190 N VAL A 16 2.301 16.312 -1.230 1.00 0.00 N ATOM 191 CA VAL A 16 1.521 16.131 -2.449 1.00 0.00 C ATOM 192 C VAL A 16 0.355 15.195 -2.121 1.00 0.00 C ATOM 193 O VAL A 16 -0.784 15.496 -2.462 1.00 0.00 O ATOM 194 CB VAL A 16 2.394 15.630 -3.622 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.923 14.352 -4.315 1.00 0.00 C ATOM 196 CG2 VAL A 16 2.473 16.715 -4.688 1.00 0.00 C ATOM 0 H VAL A 16 3.264 15.987 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 16 1.123 17.086 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 16 3.354 15.396 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.613 14.099 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.893 13.536 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.926 14.508 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.088 16.366 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.471 16.943 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.917 17.614 -4.260 1.00 0.00 H new ATOM 206 N ARG A 17 0.653 14.073 -1.448 1.00 0.00 N ATOM 207 CA ARG A 17 -0.309 13.058 -1.039 1.00 0.00 C ATOM 208 C ARG A 17 -1.290 13.576 0.015 1.00 0.00 C ATOM 209 O ARG A 17 -2.399 13.056 0.096 1.00 0.00 O ATOM 210 CB ARG A 17 0.435 11.825 -0.508 1.00 0.00 C ATOM 211 CG ARG A 17 0.964 10.945 -1.649 1.00 0.00 C ATOM 212 CD ARG A 17 2.030 9.954 -1.165 1.00 0.00 C ATOM 213 NE ARG A 17 1.632 9.238 0.055 1.00 0.00 N ATOM 214 CZ ARG A 17 0.798 8.186 0.119 1.00 0.00 C ATOM 215 NH1 ARG A 17 0.202 7.698 -0.980 1.00 0.00 N ATOM 216 NH2 ARG A 17 0.562 7.613 1.307 1.00 0.00 N ATOM 0 H ARG A 17 1.607 13.847 -1.167 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.896 12.788 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.266 12.144 0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.234 11.240 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.136 10.396 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.386 11.578 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.232 9.231 -1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.960 10.491 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 17 2.025 9.570 0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.378 8.127 -1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.427 6.899 -0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.013 7.976 2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.069 6.814 1.371 1.00 0.00 H new ATOM 230 N ALA A 18 -0.909 14.576 0.821 1.00 0.00 N ATOM 231 CA ALA A 18 -1.775 15.131 1.851 1.00 0.00 C ATOM 232 C ALA A 18 -2.904 15.907 1.176 1.00 0.00 C ATOM 233 O ALA A 18 -4.077 15.571 1.337 1.00 0.00 O ATOM 234 CB ALA A 18 -0.966 16.016 2.806 1.00 0.00 C ATOM 0 H ALA A 18 0.009 15.018 0.772 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.211 14.331 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.626 16.424 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.186 15.421 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.510 16.833 2.247 1.00 0.00 H new ATOM 240 N ALA A 19 -2.533 16.940 0.408 1.00 0.00 N ATOM 241 CA ALA A 19 -3.494 17.759 -0.310 1.00 0.00 C ATOM 242 C ALA A 19 -4.226 16.948 -1.376 1.00 0.00 C ATOM 243 O ALA A 19 -5.360 17.287 -1.704 1.00 0.00 O ATOM 244 CB ALA A 19 -2.816 18.969 -0.944 1.00 0.00 C ATOM 0 H ALA A 19 -1.562 17.223 0.273 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.227 18.112 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.558 19.565 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.353 19.576 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.052 18.632 -1.645 1.00 0.00 H new ATOM 250 N ALA A 20 -3.594 15.899 -1.926 1.00 0.00 N ATOM 251 CA ALA A 20 -4.230 15.063 -2.933 1.00 0.00 C ATOM 252 C ALA A 20 -5.220 14.087 -2.331 1.00 0.00 C ATOM 253 O ALA A 20 -6.248 13.829 -2.947 1.00 0.00 O ATOM 254 CB ALA A 20 -3.213 14.384 -3.851 1.00 0.00 C ATOM 0 H ALA A 20 -2.644 15.617 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.813 15.730 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.737 13.772 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.624 15.143 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.552 13.753 -3.257 1.00 0.00 H new ATOM 260 N ASN A 21 -4.928 13.532 -1.153 1.00 0.00 N ATOM 261 CA ASN A 21 -5.866 12.642 -0.493 1.00 0.00 C ATOM 262 C ASN A 21 -7.044 13.505 -0.007 1.00 0.00 C ATOM 263 O ASN A 21 -8.151 12.997 0.192 1.00 0.00 O ATOM 264 CB ASN A 21 -5.173 11.909 0.660 1.00 0.00 C ATOM 265 CG ASN A 21 -6.122 10.948 1.372 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.354 9.839 0.897 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.670 11.372 2.513 1.00 0.00 N ATOM 0 H ASN A 21 -4.056 13.685 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.234 11.873 -1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.316 11.356 0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.789 12.637 1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.310 10.767 3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.449 12.301 2.871 1.00 0.00 H new ATOM 274 N ALA A 22 -6.807 14.823 0.156 1.00 0.00 N ATOM 275 CA ALA A 22 -7.836 15.733 0.636 1.00 0.00 C ATOM 276 C ALA A 22 -8.748 15.924 -0.562 1.00 0.00 C ATOM 277 O ALA A 22 -9.934 15.621 -0.491 1.00 0.00 O ATOM 278 CB ALA A 22 -7.233 17.042 1.146 1.00 0.00 C ATOM 0 H ALA A 22 -5.911 15.268 -0.041 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.383 15.343 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.030 17.698 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.549 16.831 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.690 17.532 0.338 1.00 0.00 H new ATOM 284 N ALA A 23 -8.161 16.437 -1.649 1.00 0.00 N ATOM 285 CA ALA A 23 -8.823 16.644 -2.928 1.00 0.00 C ATOM 286 C ALA A 23 -9.636 15.401 -3.315 1.00 0.00 C ATOM 287 O ALA A 23 -10.796 15.532 -3.680 1.00 0.00 O ATOM 288 CB ALA A 23 -7.768 16.957 -3.992 1.00 0.00 C ATOM 0 H ALA A 23 -7.183 16.726 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.513 17.484 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.256 17.113 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.224 17.858 -3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.071 16.122 -4.070 1.00 0.00 H new ATOM 294 N CYS A 24 -9.049 14.200 -3.223 1.00 0.00 N ATOM 295 CA CYS A 24 -9.709 12.937 -3.540 1.00 0.00 C ATOM 296 C CYS A 24 -11.048 12.822 -2.812 1.00 0.00 C ATOM 297 O CYS A 24 -12.081 12.612 -3.444 1.00 0.00 O ATOM 298 CB CYS A 24 -8.854 11.742 -3.075 1.00 0.00 C ATOM 299 SG CYS A 24 -7.532 11.127 -4.149 1.00 0.00 S ATOM 0 H CYS A 24 -8.082 14.083 -2.919 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.851 12.921 -4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.401 12.014 -2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.531 10.911 -2.880 1.00 0.00 H new ATOM 304 N GLN A 25 -11.016 12.977 -1.484 1.00 0.00 N ATOM 305 CA GLN A 25 -12.179 12.843 -0.620 1.00 0.00 C ATOM 306 C GLN A 25 -13.171 14.013 -0.591 1.00 0.00 C ATOM 307 O GLN A 25 -14.351 13.779 -0.339 1.00 0.00 O ATOM 308 CB GLN A 25 -11.635 12.568 0.790 1.00 0.00 C ATOM 309 CG GLN A 25 -12.657 11.927 1.734 1.00 0.00 C ATOM 310 CD GLN A 25 -12.019 11.602 3.083 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.341 12.226 4.093 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.107 10.627 3.108 1.00 0.00 N ATOM 0 H GLN A 25 -10.161 13.203 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.785 12.035 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.766 11.914 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.291 13.506 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.500 12.603 1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.053 11.016 1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.866 10.132 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.651 10.377 3.986 1.00 0.00 H new ATOM 321 N TYR A 26 -12.730 15.251 -0.855 1.00 0.00 N ATOM 322 CA TYR A 26 -13.590 16.435 -0.787 1.00 0.00 C ATOM 323 C TYR A 26 -13.882 17.158 -2.101 1.00 0.00 C ATOM 324 O TYR A 26 -14.680 18.094 -2.089 1.00 0.00 O ATOM 325 CB TYR A 26 -12.953 17.425 0.190 1.00 0.00 C ATOM 326 CG TYR A 26 -12.437 16.799 1.473 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.276 15.972 2.244 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.113 17.032 1.891 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.799 15.382 3.425 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.634 16.436 3.072 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.476 15.612 3.840 1.00 0.00 C ATOM 332 OH TYR A 26 -11.007 15.028 4.980 1.00 0.00 O ATOM 0 H TYR A 26 -11.767 15.457 -1.121 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.562 16.061 -0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.127 17.930 -0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.687 18.190 0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.292 15.791 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.465 17.668 1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.448 14.752 4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.617 16.612 3.390 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.277 14.086 5.000 1.00 0.00 H new ATOM 342 N TYR A 27 -13.258 16.766 -3.216 1.00 0.00 N ATOM 343 CA TYR A 27 -13.477 17.427 -4.500 1.00 0.00 C ATOM 344 C TYR A 27 -14.532 16.755 -5.386 1.00 0.00 C ATOM 345 O TYR A 27 -15.299 17.473 -6.022 1.00 0.00 O ATOM 346 CB TYR A 27 -12.142 17.791 -5.192 1.00 0.00 C ATOM 347 CG TYR A 27 -11.680 17.035 -6.431 1.00 0.00 C ATOM 348 CD1 TYR A 27 -11.730 15.628 -6.516 1.00 0.00 C ATOM 349 CD2 TYR A 27 -11.171 17.774 -7.520 1.00 0.00 C ATOM 350 CE1 TYR A 27 -11.303 14.972 -7.683 1.00 0.00 C ATOM 351 CE2 TYR A 27 -10.738 17.111 -8.676 1.00 0.00 C ATOM 352 CZ TYR A 27 -10.816 15.723 -8.762 1.00 0.00 C ATOM 353 OH TYR A 27 -10.396 15.135 -9.908 1.00 0.00 O ATOM 0 H TYR A 27 -12.596 15.991 -3.252 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.951 18.385 -4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.197 18.846 -5.461 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.355 17.693 -4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.098 15.052 -5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.115 18.851 -7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.350 13.895 -7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.342 17.679 -9.505 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.095 15.823 -10.538 1.00 0.00 H new ATOM 363 N GLN A 28 -14.596 15.413 -5.431 1.00 0.00 N ATOM 364 CA GLN A 28 -15.541 14.673 -6.270 1.00 0.00 C ATOM 365 C GLN A 28 -15.981 13.349 -5.616 1.00 0.00 C ATOM 366 O GLN A 28 -16.224 12.374 -6.328 1.00 0.00 O ATOM 367 CB GLN A 28 -14.894 14.389 -7.645 1.00 0.00 C ATOM 368 CG GLN A 28 -14.546 15.619 -8.499 1.00 0.00 C ATOM 369 CD GLN A 28 -15.769 16.270 -9.137 1.00 0.00 C ATOM 370 OE1 GLN A 28 -16.182 17.357 -8.740 1.00 0.00 O ATOM 371 NE2 GLN A 28 -16.346 15.609 -10.144 1.00 0.00 N ATOM 0 H GLN A 28 -13.985 14.810 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.432 15.289 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.981 13.816 -7.482 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.571 13.755 -8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.034 16.353 -7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.848 15.324 -9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.972 14.709 -10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.160 16.005 -10.613 1.00 0.00 H new ATOM 380 N ASN A 29 -16.093 13.289 -4.281 1.00 0.00 N ATOM 381 CA ASN A 29 -16.514 12.091 -3.553 1.00 0.00 C ATOM 382 C ASN A 29 -17.577 12.486 -2.530 1.00 0.00 C ATOM 383 O ASN A 29 -18.748 12.144 -2.697 1.00 0.00 O ATOM 384 CB ASN A 29 -15.299 11.406 -2.905 1.00 0.00 C ATOM 385 CG ASN A 29 -14.542 10.519 -3.896 1.00 0.00 C ATOM 386 OD1 ASN A 29 -13.943 11.014 -4.849 1.00 0.00 O ATOM 387 ND2 ASN A 29 -14.563 9.201 -3.667 1.00 0.00 N ATOM 0 H ASN A 29 -15.891 14.082 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.953 11.364 -4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.624 12.165 -2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.631 10.803 -2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.070 8.566 -4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.072 8.831 -2.864 1.00 0.00 H new ATOM 394 N ASP A 30 -17.169 13.200 -1.476 1.00 0.00 N ATOM 395 CA ASP A 30 -18.033 13.688 -0.412 1.00 0.00 C ATOM 396 C ASP A 30 -17.594 15.127 -0.147 1.00 0.00 C ATOM 397 O ASP A 30 -16.772 15.397 0.726 1.00 0.00 O ATOM 398 CB ASP A 30 -18.017 12.767 0.819 1.00 0.00 C ATOM 399 CG ASP A 30 -16.623 12.439 1.356 1.00 0.00 C ATOM 400 OD1 ASP A 30 -15.976 11.550 0.760 1.00 0.00 O ATOM 401 OD2 ASP A 30 -16.229 13.078 2.356 1.00 0.00 O ATOM 0 H ASP A 30 -16.192 13.460 -1.341 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.085 13.679 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.596 13.236 1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -18.522 11.835 0.565 1.00 0.00 H new ATOM 406 N ASP A 31 -18.160 16.042 -0.943 1.00 0.00 N ATOM 407 CA ASP A 31 -17.880 17.466 -0.906 1.00 0.00 C ATOM 408 C ASP A 31 -18.121 18.104 0.463 1.00 0.00 C ATOM 409 O ASP A 31 -19.239 18.081 0.975 1.00 0.00 O ATOM 410 CB ASP A 31 -18.680 18.181 -1.998 1.00 0.00 C ATOM 411 CG ASP A 31 -18.308 17.682 -3.394 1.00 0.00 C ATOM 412 OD1 ASP A 31 -18.911 16.671 -3.820 1.00 0.00 O ATOM 413 OD2 ASP A 31 -17.425 18.315 -4.012 1.00 0.00 O ATOM 0 H ASP A 31 -18.849 15.793 -1.653 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.813 17.584 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.745 18.026 -1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.501 19.254 -1.936 1.00 0.00 H new ATOM 418 N THR A 32 -17.044 18.656 1.037 1.00 0.00 N ATOM 419 CA THR A 32 -17.013 19.346 2.321 1.00 0.00 C ATOM 420 C THR A 32 -16.027 20.516 2.226 1.00 0.00 C ATOM 421 O THR A 32 -15.161 20.682 3.084 1.00 0.00 O ATOM 422 CB THR A 32 -16.663 18.383 3.471 1.00 0.00 C ATOM 423 OG1 THR A 32 -15.391 17.810 3.262 1.00 0.00 O ATOM 424 CG2 THR A 32 -17.696 17.268 3.646 1.00 0.00 C ATOM 0 H THR A 32 -16.127 18.629 0.591 1.00 0.00 H new ATOM 0 HA THR A 32 -18.004 19.737 2.550 1.00 0.00 H new ATOM 0 HB THR A 32 -16.662 18.979 4.384 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.488 16.968 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.397 16.621 4.470 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.670 17.706 3.863 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.758 16.682 2.729 1.00 0.00 H new ATOM 432 N ALA A 33 -16.165 21.331 1.173 1.00 0.00 N ATOM 433 CA ALA A 33 -15.312 22.482 0.914 1.00 0.00 C ATOM 434 C ALA A 33 -15.978 23.408 -0.099 1.00 0.00 C ATOM 435 O ALA A 33 -16.777 22.964 -0.923 1.00 0.00 O ATOM 436 CB ALA A 33 -13.952 22.017 0.382 1.00 0.00 C ATOM 0 H ALA A 33 -16.889 21.200 0.467 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.161 23.027 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.320 22.884 0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.473 21.375 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.095 21.461 -0.545 1.00 0.00 H new ATOM 442 N GLY A 34 -15.640 24.703 -0.030 1.00 0.00 N ATOM 443 CA GLY A 34 -16.163 25.717 -0.929 1.00 0.00 C ATOM 444 C GLY A 34 -15.636 25.496 -2.346 1.00 0.00 C ATOM 445 O GLY A 34 -14.583 24.884 -2.528 1.00 0.00 O ATOM 0 H GLY A 34 -14.988 25.071 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.252 25.684 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.875 26.708 -0.577 1.00 0.00 H new ATOM 449 N SER A 35 -16.377 25.992 -3.343 1.00 0.00 N ATOM 450 CA SER A 35 -16.040 25.865 -4.753 1.00 0.00 C ATOM 451 C SER A 35 -16.209 27.224 -5.425 1.00 0.00 C ATOM 452 O SER A 35 -17.203 27.457 -6.115 1.00 0.00 O ATOM 453 CB SER A 35 -16.915 24.771 -5.378 1.00 0.00 C ATOM 454 OG SER A 35 -16.577 24.588 -6.735 1.00 0.00 O ATOM 0 H SER A 35 -17.245 26.503 -3.182 1.00 0.00 H new ATOM 0 HA SER A 35 -15.002 25.564 -4.891 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.783 23.836 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.967 25.044 -5.292 1.00 0.00 H new ATOM 0 HG SER A 35 -15.636 24.324 -6.805 1.00 0.00 H new ATOM 460 N SER A 36 -15.226 28.116 -5.224 1.00 0.00 N ATOM 461 CA SER A 36 -15.212 29.460 -5.781 1.00 0.00 C ATOM 462 C SER A 36 -14.173 29.497 -6.898 1.00 0.00 C ATOM 463 O SER A 36 -14.497 29.788 -8.048 1.00 0.00 O ATOM 464 CB SER A 36 -14.913 30.473 -4.668 1.00 0.00 C ATOM 465 OG SER A 36 -13.779 30.104 -3.906 1.00 0.00 O ATOM 0 H SER A 36 -14.405 27.909 -4.656 1.00 0.00 H new ATOM 0 HA SER A 36 -16.181 29.728 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.750 31.457 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.779 30.557 -4.012 1.00 0.00 H new ATOM 0 HG SER A 36 -13.621 30.775 -3.209 1.00 0.00 H new ATOM 471 N THR A 37 -12.925 29.192 -6.532 1.00 0.00 N ATOM 472 CA THR A 37 -11.756 29.135 -7.399 1.00 0.00 C ATOM 473 C THR A 37 -11.067 27.763 -7.295 1.00 0.00 C ATOM 474 O THR A 37 -10.192 27.473 -8.104 1.00 0.00 O ATOM 475 CB THR A 37 -10.845 30.352 -7.134 1.00 0.00 C ATOM 476 OG1 THR A 37 -9.525 30.121 -7.580 1.00 0.00 O ATOM 477 CG2 THR A 37 -10.831 30.794 -5.665 1.00 0.00 C ATOM 0 H THR A 37 -12.695 28.966 -5.564 1.00 0.00 H new ATOM 0 HA THR A 37 -12.051 29.215 -8.445 1.00 0.00 H new ATOM 0 HB THR A 37 -11.279 31.168 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.978 29.804 -6.832 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.171 31.654 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.840 31.068 -5.358 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.472 29.975 -5.042 1.00 0.00 H new ATOM 485 N TYR A 38 -11.434 26.921 -6.314 1.00 0.00 N ATOM 486 CA TYR A 38 -10.893 25.576 -6.121 1.00 0.00 C ATOM 487 C TYR A 38 -11.906 24.804 -5.264 1.00 0.00 C ATOM 488 O TYR A 38 -12.321 25.328 -4.231 1.00 0.00 O ATOM 489 CB TYR A 38 -9.512 25.553 -5.433 1.00 0.00 C ATOM 490 CG TYR A 38 -8.651 26.789 -5.578 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.910 27.889 -4.744 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.610 26.861 -6.526 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.143 29.058 -4.853 1.00 0.00 C ATOM 494 CE2 TYR A 38 -6.841 28.030 -6.633 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.105 29.132 -5.800 1.00 0.00 C ATOM 496 OH TYR A 38 -6.351 30.263 -5.908 1.00 0.00 O ATOM 0 H TYR A 38 -12.136 27.170 -5.617 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.741 25.124 -7.101 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.666 25.371 -4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.953 24.703 -5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.704 27.834 -4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.405 26.018 -7.169 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.349 29.901 -4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.043 28.084 -7.358 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.679 30.142 -6.611 1.00 0.00 H new ATOM 506 N PRO A 39 -12.329 23.588 -5.650 1.00 0.00 N ATOM 507 CA PRO A 39 -11.940 22.878 -6.855 1.00 0.00 C ATOM 508 C PRO A 39 -12.703 23.418 -8.066 1.00 0.00 C ATOM 509 O PRO A 39 -13.893 23.718 -7.975 1.00 0.00 O ATOM 510 CB PRO A 39 -12.319 21.422 -6.584 1.00 0.00 C ATOM 511 CG PRO A 39 -13.573 21.553 -5.721 1.00 0.00 C ATOM 512 CD PRO A 39 -13.272 22.791 -4.880 1.00 0.00 C ATOM 0 HA PRO A 39 -10.880 22.993 -7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.518 20.878 -7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.524 20.887 -6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.470 21.683 -6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.732 20.671 -5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.183 23.354 -4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.849 22.512 -3.915 1.00 0.00 H new ATOM 520 N HIS A 40 -12.004 23.547 -9.197 1.00 0.00 N ATOM 521 CA HIS A 40 -12.568 24.017 -10.454 1.00 0.00 C ATOM 522 C HIS A 40 -11.712 23.458 -11.588 1.00 0.00 C ATOM 523 O HIS A 40 -10.505 23.281 -11.415 1.00 0.00 O ATOM 524 CB HIS A 40 -12.668 25.552 -10.495 1.00 0.00 C ATOM 525 CG HIS A 40 -11.395 26.267 -10.876 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.381 27.366 -11.719 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.079 26.056 -10.545 1.00 0.00 C ATOM 528 CE1 HIS A 40 -10.101 27.753 -11.852 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.253 26.991 -11.160 1.00 0.00 N ATOM 0 H HIS A 40 -11.011 23.322 -9.260 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.592 23.659 -10.563 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.449 25.831 -11.203 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.986 25.906 -9.514 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.731 25.268 -9.893 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.791 28.593 -12.456 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -8.238 27.074 -11.097 1.00 0.00 H new ATOM 537 N THR A 41 -12.324 23.185 -12.745 1.00 0.00 N ATOM 538 CA THR A 41 -11.601 22.634 -13.881 1.00 0.00 C ATOM 539 C THR A 41 -10.426 23.541 -14.250 1.00 0.00 C ATOM 540 O THR A 41 -10.528 24.764 -14.136 1.00 0.00 O ATOM 541 CB THR A 41 -12.548 22.351 -15.053 1.00 0.00 C ATOM 542 OG1 THR A 41 -11.945 21.428 -15.937 1.00 0.00 O ATOM 543 CG2 THR A 41 -12.885 23.628 -15.814 1.00 0.00 C ATOM 0 H THR A 41 -13.318 23.339 -12.913 1.00 0.00 H new ATOM 0 HA THR A 41 -11.176 21.669 -13.605 1.00 0.00 H new ATOM 0 HB THR A 41 -13.472 21.937 -14.649 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.552 21.247 -16.685 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.558 23.393 -16.639 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.369 24.336 -15.141 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.969 24.069 -16.207 1.00 0.00 H new ATOM 551 N TYR A 42 -9.314 22.941 -14.690 1.00 0.00 N ATOM 552 CA TYR A 42 -8.135 23.710 -15.050 1.00 0.00 C ATOM 553 C TYR A 42 -8.376 24.277 -16.446 1.00 0.00 C ATOM 554 O TYR A 42 -8.451 23.529 -17.418 1.00 0.00 O ATOM 555 CB TYR A 42 -6.878 22.833 -15.002 1.00 0.00 C ATOM 556 CG TYR A 42 -5.574 23.491 -15.437 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.361 24.879 -15.289 1.00 0.00 C ATOM 558 CD2 TYR A 42 -4.552 22.693 -15.987 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.142 25.456 -15.687 1.00 0.00 C ATOM 560 CE2 TYR A 42 -3.336 23.273 -16.386 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.129 24.653 -16.238 1.00 0.00 C ATOM 562 OH TYR A 42 -1.949 25.215 -16.632 1.00 0.00 O ATOM 0 H TYR A 42 -9.214 21.932 -14.802 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.968 24.522 -14.342 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.754 22.470 -13.982 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.047 21.960 -15.632 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.138 25.500 -14.868 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.704 21.630 -16.103 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.984 26.518 -15.569 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.558 22.654 -16.808 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.359 24.519 -16.990 1.00 0.00 H new ATOM 572 N ASN A 43 -8.506 25.609 -16.508 1.00 0.00 N ATOM 573 CA ASN A 43 -8.755 26.366 -17.723 1.00 0.00 C ATOM 574 C ASN A 43 -7.496 26.358 -18.587 1.00 0.00 C ATOM 575 O ASN A 43 -6.708 27.302 -18.573 1.00 0.00 O ATOM 576 CB ASN A 43 -9.202 27.785 -17.347 1.00 0.00 C ATOM 577 CG ASN A 43 -10.414 27.758 -16.417 1.00 0.00 C ATOM 578 OD1 ASN A 43 -10.279 27.962 -15.212 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.599 27.494 -16.973 1.00 0.00 N ATOM 0 H ASN A 43 -8.437 26.201 -15.680 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.555 25.913 -18.308 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.380 28.311 -16.861 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.447 28.343 -18.251 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.437 27.456 -16.393 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.666 27.331 -17.978 1.00 0.00 H new ATOM 586 N ASN A 44 -7.320 25.262 -19.332 1.00 0.00 N ATOM 587 CA ASN A 44 -6.193 25.037 -20.211 1.00 0.00 C ATOM 588 C ASN A 44 -6.650 24.021 -21.258 1.00 0.00 C ATOM 589 O ASN A 44 -6.303 22.844 -21.194 1.00 0.00 O ATOM 590 CB ASN A 44 -4.982 24.589 -19.367 1.00 0.00 C ATOM 591 CG ASN A 44 -3.660 25.098 -19.934 1.00 0.00 C ATOM 592 OD1 ASN A 44 -3.210 26.185 -19.578 1.00 0.00 O ATOM 593 ND2 ASN A 44 -3.029 24.315 -20.809 1.00 0.00 N ATOM 0 H ASN A 44 -7.985 24.489 -19.332 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.865 25.933 -20.738 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.100 24.951 -18.346 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.959 23.500 -19.319 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.139 24.611 -21.209 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.436 23.420 -21.078 1.00 0.00 H new ATOM 600 N TYR A 45 -7.451 24.497 -22.223 1.00 0.00 N ATOM 601 CA TYR A 45 -7.993 23.704 -23.327 1.00 0.00 C ATOM 602 C TYR A 45 -6.865 23.053 -24.130 1.00 0.00 C ATOM 603 O TYR A 45 -7.012 21.912 -24.568 1.00 0.00 O ATOM 604 CB TYR A 45 -8.959 24.522 -24.205 1.00 0.00 C ATOM 605 CG TYR A 45 -8.848 26.032 -24.089 1.00 0.00 C ATOM 606 CD1 TYR A 45 -7.894 26.736 -24.846 1.00 0.00 C ATOM 607 CD2 TYR A 45 -9.694 26.729 -23.205 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.792 28.133 -24.724 1.00 0.00 C ATOM 609 CE2 TYR A 45 -9.587 28.123 -23.079 1.00 0.00 C ATOM 610 CZ TYR A 45 -8.633 28.826 -23.835 1.00 0.00 C ATOM 611 OH TYR A 45 -8.527 30.182 -23.711 1.00 0.00 O ATOM 0 H TYR A 45 -7.746 25.473 -22.254 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.592 22.898 -22.903 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.795 24.245 -25.246 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.980 24.232 -23.955 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.240 26.204 -25.521 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.427 26.190 -22.623 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.067 28.674 -25.314 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.238 28.655 -22.401 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.182 30.503 -23.056 1.00 0.00 H new ATOM 621 N GLU A 46 -5.749 23.771 -24.319 1.00 0.00 N ATOM 622 CA GLU A 46 -4.580 23.265 -25.029 1.00 0.00 C ATOM 623 C GLU A 46 -3.992 22.088 -24.236 1.00 0.00 C ATOM 624 O GLU A 46 -3.506 21.125 -24.826 1.00 0.00 O ATOM 625 CB GLU A 46 -3.578 24.411 -25.223 1.00 0.00 C ATOM 626 CG GLU A 46 -2.316 23.965 -25.971 1.00 0.00 C ATOM 627 CD GLU A 46 -1.376 25.144 -26.208 1.00 0.00 C ATOM 628 OE1 GLU A 46 -0.692 25.529 -25.236 1.00 0.00 O ATOM 629 OE2 GLU A 46 -1.360 25.646 -27.353 1.00 0.00 O ATOM 0 H GLU A 46 -5.638 24.726 -23.978 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.845 22.895 -26.020 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.057 25.219 -25.775 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.297 24.813 -24.249 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.801 23.195 -25.397 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.593 23.519 -26.926 1.00 0.00 H new ATOM 636 N GLY A 47 -4.052 22.170 -22.898 1.00 0.00 N ATOM 637 CA GLY A 47 -3.589 21.161 -21.962 1.00 0.00 C ATOM 638 C GLY A 47 -2.078 21.160 -21.735 1.00 0.00 C ATOM 639 O GLY A 47 -1.317 20.869 -22.656 1.00 0.00 O ATOM 0 H GLY A 47 -4.445 22.985 -22.427 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.088 21.313 -21.005 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.891 20.179 -22.326 1.00 0.00 H new ATOM 643 N PHE A 48 -1.654 21.482 -20.503 1.00 0.00 N ATOM 644 CA PHE A 48 -0.253 21.488 -20.104 1.00 0.00 C ATOM 645 C PHE A 48 0.064 20.010 -19.864 1.00 0.00 C ATOM 646 O PHE A 48 -0.384 19.454 -18.865 1.00 0.00 O ATOM 647 CB PHE A 48 -0.073 22.356 -18.844 1.00 0.00 C ATOM 648 CG PHE A 48 1.344 22.596 -18.333 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.475 22.076 -18.995 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.526 23.373 -17.171 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.766 22.311 -18.491 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.820 23.625 -16.677 1.00 0.00 C ATOM 653 CZ PHE A 48 3.939 23.085 -17.331 1.00 0.00 C ATOM 0 H PHE A 48 -2.290 21.748 -19.751 1.00 0.00 H new ATOM 0 HA PHE A 48 0.421 21.918 -20.845 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.525 23.328 -19.041 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.645 21.896 -18.038 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.349 21.493 -19.895 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.667 23.778 -16.656 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.626 21.896 -18.996 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.952 24.234 -15.795 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.931 23.264 -16.943 1.00 0.00 H new ATOM 663 N ASP A 49 0.817 19.392 -20.786 1.00 0.00 N ATOM 664 CA ASP A 49 1.209 17.986 -20.786 1.00 0.00 C ATOM 665 C ASP A 49 1.336 17.327 -19.406 1.00 0.00 C ATOM 666 O ASP A 49 2.239 17.635 -18.630 1.00 0.00 O ATOM 667 CB ASP A 49 2.428 17.735 -21.684 1.00 0.00 C ATOM 668 CG ASP A 49 3.726 18.429 -21.266 1.00 0.00 C ATOM 669 OD1 ASP A 49 3.678 19.312 -20.381 1.00 0.00 O ATOM 670 OD2 ASP A 49 4.763 18.063 -21.859 1.00 0.00 O ATOM 0 H ASP A 49 1.186 19.893 -21.594 1.00 0.00 H new ATOM 0 HA ASP A 49 0.357 17.468 -21.226 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.610 16.661 -21.723 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.180 18.053 -22.697 1.00 0.00 H new ATOM 675 N PHE A 50 0.405 16.404 -19.131 1.00 0.00 N ATOM 676 CA PHE A 50 0.287 15.617 -17.910 1.00 0.00 C ATOM 677 C PHE A 50 -0.298 14.247 -18.281 1.00 0.00 C ATOM 678 O PHE A 50 -1.034 14.157 -19.263 1.00 0.00 O ATOM 679 CB PHE A 50 -0.749 16.236 -16.953 1.00 0.00 C ATOM 680 CG PHE A 50 -0.599 17.652 -16.437 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.644 18.169 -16.022 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.752 18.459 -16.359 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.727 19.488 -15.541 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.667 19.773 -15.877 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.429 20.288 -15.469 1.00 0.00 C ATOM 0 H PHE A 50 -0.329 16.178 -19.802 1.00 0.00 H new ATOM 0 HA PHE A 50 1.272 15.567 -17.446 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.716 16.181 -17.454 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.804 15.585 -16.081 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.531 17.554 -16.073 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.707 18.063 -16.672 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.680 19.888 -15.226 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.554 20.387 -15.820 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.362 21.300 -15.099 1.00 0.00 H new ATOM 695 N PRO A 51 0.016 13.173 -17.536 1.00 0.00 N ATOM 696 CA PRO A 51 -0.541 11.848 -17.768 1.00 0.00 C ATOM 697 C PRO A 51 -1.966 11.839 -17.184 1.00 0.00 C ATOM 698 O PRO A 51 -2.189 11.310 -16.094 1.00 0.00 O ATOM 699 CB PRO A 51 0.408 10.895 -17.032 1.00 0.00 C ATOM 700 CG PRO A 51 0.902 11.735 -15.851 1.00 0.00 C ATOM 701 CD PRO A 51 0.963 13.147 -16.433 1.00 0.00 C ATOM 0 HA PRO A 51 -0.619 11.557 -18.816 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.106 9.994 -16.698 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.231 10.574 -17.670 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.220 11.678 -15.002 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.878 11.401 -15.499 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.703 13.890 -15.679 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.970 13.382 -16.779 1.00 0.00 H new ATOM 709 N VAL A 52 -2.929 12.430 -17.911 1.00 0.00 N ATOM 710 CA VAL A 52 -4.328 12.548 -17.505 1.00 0.00 C ATOM 711 C VAL A 52 -5.308 11.941 -18.507 1.00 0.00 C ATOM 712 O VAL A 52 -4.944 11.546 -19.612 1.00 0.00 O ATOM 713 CB VAL A 52 -4.689 14.039 -17.301 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.917 14.646 -16.129 1.00 0.00 C ATOM 715 CG2 VAL A 52 -4.501 14.883 -18.568 1.00 0.00 C ATOM 0 H VAL A 52 -2.744 12.849 -18.822 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.423 11.986 -16.576 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.753 14.059 -17.065 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.195 15.694 -16.014 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.159 14.104 -15.215 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.847 14.573 -16.322 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.771 15.918 -18.359 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.459 14.836 -18.885 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.139 14.495 -19.362 1.00 0.00 H new ATOM 725 N ASP A 53 -6.568 11.879 -18.060 1.00 0.00 N ATOM 726 CA ASP A 53 -7.747 11.402 -18.766 1.00 0.00 C ATOM 727 C ASP A 53 -8.774 12.536 -18.687 1.00 0.00 C ATOM 728 O ASP A 53 -9.361 12.923 -19.696 1.00 0.00 O ATOM 729 CB ASP A 53 -8.267 10.110 -18.127 1.00 0.00 C ATOM 730 CG ASP A 53 -9.500 9.587 -18.860 1.00 0.00 C ATOM 731 OD1 ASP A 53 -9.316 9.057 -19.978 1.00 0.00 O ATOM 732 OD2 ASP A 53 -10.607 9.732 -18.295 1.00 0.00 O ATOM 0 H ASP A 53 -6.800 12.189 -17.116 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.530 11.157 -19.806 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.483 9.353 -18.143 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.513 10.292 -17.081 1.00 0.00 H new ATOM 737 N GLY A 54 -8.989 13.055 -17.469 1.00 0.00 N ATOM 738 CA GLY A 54 -9.885 14.155 -17.159 1.00 0.00 C ATOM 739 C GLY A 54 -11.324 13.722 -16.879 1.00 0.00 C ATOM 740 O GLY A 54 -11.669 12.558 -17.086 1.00 0.00 O ATOM 0 H GLY A 54 -8.515 12.695 -16.641 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.501 14.689 -16.290 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.883 14.858 -17.992 1.00 0.00 H new ATOM 744 N PRO A 55 -12.171 14.651 -16.399 1.00 0.00 N ATOM 745 CA PRO A 55 -11.845 16.044 -16.110 1.00 0.00 C ATOM 746 C PRO A 55 -10.933 16.183 -14.885 1.00 0.00 C ATOM 747 O PRO A 55 -11.156 15.543 -13.858 1.00 0.00 O ATOM 748 CB PRO A 55 -13.190 16.729 -15.863 1.00 0.00 C ATOM 749 CG PRO A 55 -14.084 15.602 -15.351 1.00 0.00 C ATOM 750 CD PRO A 55 -13.568 14.380 -16.109 1.00 0.00 C ATOM 0 HA PRO A 55 -11.295 16.495 -16.936 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.101 17.533 -15.132 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.587 17.171 -16.777 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.994 15.475 -14.272 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -15.136 15.794 -15.563 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.674 13.476 -15.510 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.134 14.222 -17.027 1.00 0.00 H new ATOM 758 N TYR A 56 -9.898 17.025 -15.023 1.00 0.00 N ATOM 759 CA TYR A 56 -8.908 17.327 -13.998 1.00 0.00 C ATOM 760 C TYR A 56 -9.143 18.740 -13.460 1.00 0.00 C ATOM 761 O TYR A 56 -9.380 19.668 -14.238 1.00 0.00 O ATOM 762 CB TYR A 56 -7.493 17.140 -14.566 1.00 0.00 C ATOM 763 CG TYR A 56 -7.242 17.744 -15.940 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.837 19.085 -16.072 1.00 0.00 C ATOM 765 CD2 TYR A 56 -7.420 16.956 -17.093 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.619 19.633 -17.351 1.00 0.00 C ATOM 767 CE2 TYR A 56 -7.204 17.504 -18.368 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.810 18.846 -18.500 1.00 0.00 C ATOM 769 OH TYR A 56 -6.609 19.379 -19.742 1.00 0.00 O ATOM 0 H TYR A 56 -9.728 17.532 -15.892 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.010 16.637 -13.160 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.781 17.574 -13.864 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.281 16.072 -14.616 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.693 19.694 -15.192 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.724 15.924 -16.997 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.304 20.661 -17.449 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.341 16.893 -19.248 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.785 18.697 -20.423 1.00 0.00 H new ATOM 779 N GLN A 57 -9.065 18.894 -12.127 1.00 0.00 N ATOM 780 CA GLN A 57 -9.286 20.167 -11.445 1.00 0.00 C ATOM 781 C GLN A 57 -8.101 20.530 -10.554 1.00 0.00 C ATOM 782 O GLN A 57 -7.287 19.675 -10.195 1.00 0.00 O ATOM 783 CB GLN A 57 -10.573 20.152 -10.604 1.00 0.00 C ATOM 784 CG GLN A 57 -11.777 19.502 -11.300 1.00 0.00 C ATOM 785 CD GLN A 57 -13.046 19.651 -10.462 1.00 0.00 C ATOM 786 OE1 GLN A 57 -13.574 20.753 -10.321 1.00 0.00 O ATOM 787 NE2 GLN A 57 -13.546 18.542 -9.908 1.00 0.00 N ATOM 0 H GLN A 57 -8.844 18.127 -11.492 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.392 20.922 -12.224 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.378 19.622 -9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.832 21.177 -10.339 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.927 19.961 -12.277 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.574 18.445 -11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.079 17.646 -10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.395 18.591 -9.345 1.00 0.00 H new ATOM 796 N GLU A 58 -8.042 21.821 -10.201 1.00 0.00 N ATOM 797 CA GLU A 58 -7.003 22.397 -9.367 1.00 0.00 C ATOM 798 C GLU A 58 -7.303 22.205 -7.883 1.00 0.00 C ATOM 799 O GLU A 58 -8.454 22.078 -7.468 1.00 0.00 O ATOM 800 CB GLU A 58 -6.890 23.910 -9.615 1.00 0.00 C ATOM 801 CG GLU A 58 -6.512 24.323 -11.045 1.00 0.00 C ATOM 802 CD GLU A 58 -5.039 24.088 -11.373 1.00 0.00 C ATOM 803 OE1 GLU A 58 -4.212 24.159 -10.438 1.00 0.00 O ATOM 804 OE2 GLU A 58 -4.757 23.850 -12.565 1.00 0.00 O ATOM 0 H GLU A 58 -8.738 22.503 -10.500 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.076 21.887 -9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.844 24.373 -9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.146 24.318 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.128 23.766 -11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.744 25.379 -11.184 1.00 0.00 H new ATOM 811 N PHE A 59 -6.222 22.179 -7.103 1.00 0.00 N ATOM 812 CA PHE A 59 -6.193 22.052 -5.661 1.00 0.00 C ATOM 813 C PHE A 59 -4.855 22.696 -5.291 1.00 0.00 C ATOM 814 O PHE A 59 -3.810 22.078 -5.455 1.00 0.00 O ATOM 815 CB PHE A 59 -6.314 20.583 -5.274 1.00 0.00 C ATOM 816 CG PHE A 59 -6.694 20.423 -3.825 1.00 0.00 C ATOM 817 CD1 PHE A 59 -5.726 20.570 -2.817 1.00 0.00 C ATOM 818 CD2 PHE A 59 -8.027 20.135 -3.484 1.00 0.00 C ATOM 819 CE1 PHE A 59 -6.093 20.425 -1.467 1.00 0.00 C ATOM 820 CE2 PHE A 59 -8.375 19.968 -2.137 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.419 20.112 -1.133 1.00 0.00 C ATOM 0 H PHE A 59 -5.284 22.252 -7.497 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.014 22.535 -5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.062 20.101 -5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.367 20.077 -5.461 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.702 20.794 -3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.778 20.043 -4.255 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.355 20.554 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.394 19.725 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.699 19.983 -0.098 1.00 0.00 H new ATOM 831 N PRO A 60 -4.838 23.927 -4.777 1.00 0.00 N ATOM 832 CA PRO A 60 -3.603 24.625 -4.500 1.00 0.00 C ATOM 833 C PRO A 60 -2.849 24.176 -3.241 1.00 0.00 C ATOM 834 O PRO A 60 -3.463 23.956 -2.198 1.00 0.00 O ATOM 835 CB PRO A 60 -4.024 26.081 -4.529 1.00 0.00 C ATOM 836 CG PRO A 60 -5.389 26.036 -3.845 1.00 0.00 C ATOM 837 CD PRO A 60 -5.977 24.737 -4.402 1.00 0.00 C ATOM 0 HA PRO A 60 -2.830 24.402 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.321 26.719 -3.993 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.091 26.465 -5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.301 26.012 -2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.001 26.902 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.589 24.231 -3.655 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.619 24.933 -5.261 1.00 0.00 H new ATOM 845 N ILE A 61 -1.515 24.034 -3.352 1.00 0.00 N ATOM 846 CA ILE A 61 -0.611 23.609 -2.301 1.00 0.00 C ATOM 847 C ILE A 61 -0.076 24.762 -1.489 1.00 0.00 C ATOM 848 O ILE A 61 -0.248 25.942 -1.792 1.00 0.00 O ATOM 849 CB ILE A 61 0.501 22.714 -2.894 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.795 22.289 -2.156 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.840 22.959 -4.365 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.574 21.070 -1.257 1.00 0.00 C ATOM 0 H ILE A 61 -1.028 24.226 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.176 23.010 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.130 21.846 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.571 22.063 -2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.158 23.122 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.632 22.277 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.046 22.788 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.177 23.988 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.509 20.810 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.818 21.303 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.238 20.228 -1.862 1.00 0.00 H new ATOM 864 N LYS A 62 0.589 24.320 -0.434 1.00 0.00 N ATOM 865 CA LYS A 62 1.227 25.168 0.568 1.00 0.00 C ATOM 866 C LYS A 62 2.322 24.442 1.361 1.00 0.00 C ATOM 867 O LYS A 62 2.471 23.224 1.272 1.00 0.00 O ATOM 868 CB LYS A 62 0.192 25.889 1.450 1.00 0.00 C ATOM 869 CG LYS A 62 -0.704 24.953 2.269 1.00 0.00 C ATOM 870 CD LYS A 62 -1.781 25.716 3.057 1.00 0.00 C ATOM 871 CE LYS A 62 -1.278 26.413 4.330 1.00 0.00 C ATOM 872 NZ LYS A 62 -0.715 27.750 4.071 1.00 0.00 N ATOM 0 H LYS A 62 0.705 23.325 -0.242 1.00 0.00 H new ATOM 0 HA LYS A 62 1.757 25.952 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.717 26.558 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.438 26.511 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.184 24.238 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.089 24.379 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.228 26.465 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.573 25.019 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.102 26.503 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.518 25.790 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.246 27.804 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.679 27.919 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.314 28.472 4.519 1.00 0.00 H new ATOM 886 N SER A 63 3.077 25.223 2.150 1.00 0.00 N ATOM 887 CA SER A 63 4.200 24.803 2.979 1.00 0.00 C ATOM 888 C SER A 63 3.740 24.219 4.314 1.00 0.00 C ATOM 889 O SER A 63 4.116 24.714 5.376 1.00 0.00 O ATOM 890 CB SER A 63 5.144 25.998 3.189 1.00 0.00 C ATOM 891 OG SER A 63 5.541 26.566 1.959 1.00 0.00 O ATOM 0 H SER A 63 2.902 26.225 2.225 1.00 0.00 H new ATOM 0 HA SER A 63 4.734 24.005 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.646 26.754 3.796 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.025 25.674 3.743 1.00 0.00 H new ATOM 0 HG SER A 63 6.139 27.324 2.127 1.00 0.00 H new ATOM 897 N GLY A 64 2.919 23.169 4.242 1.00 0.00 N ATOM 898 CA GLY A 64 2.392 22.460 5.397 1.00 0.00 C ATOM 899 C GLY A 64 0.906 22.737 5.557 1.00 0.00 C ATOM 900 O GLY A 64 0.514 23.477 6.459 1.00 0.00 O ATOM 0 H GLY A 64 2.598 22.783 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.558 21.389 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.925 22.770 6.296 1.00 0.00 H new ATOM 904 N GLY A 65 0.081 22.147 4.684 1.00 0.00 N ATOM 905 CA GLY A 65 -1.358 22.325 4.748 1.00 0.00 C ATOM 906 C GLY A 65 -2.067 21.870 3.477 1.00 0.00 C ATOM 907 O GLY A 65 -1.449 21.372 2.536 1.00 0.00 O ATOM 0 H GLY A 65 0.396 21.542 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.751 21.767 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.582 23.377 4.927 1.00 0.00 H new ATOM 911 N VAL A 66 -3.388 22.070 3.489 1.00 0.00 N ATOM 912 CA VAL A 66 -4.341 21.735 2.443 1.00 0.00 C ATOM 913 C VAL A 66 -4.998 23.056 2.016 1.00 0.00 C ATOM 914 O VAL A 66 -5.138 23.962 2.839 1.00 0.00 O ATOM 915 CB VAL A 66 -5.331 20.702 3.020 1.00 0.00 C ATOM 916 CG1 VAL A 66 -6.388 20.248 2.014 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.597 19.437 3.491 1.00 0.00 C ATOM 0 H VAL A 66 -3.846 22.502 4.291 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.893 21.279 1.560 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.819 21.216 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.051 19.522 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.969 21.109 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.899 19.788 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.319 18.726 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.073 18.985 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.878 19.701 4.266 1.00 0.00 H new ATOM 927 N TYR A 67 -5.386 23.175 0.736 1.00 0.00 N ATOM 928 CA TYR A 67 -6.002 24.359 0.135 1.00 0.00 C ATOM 929 C TYR A 67 -5.105 25.599 0.262 1.00 0.00 C ATOM 930 O TYR A 67 -3.940 25.487 0.638 1.00 0.00 O ATOM 931 CB TYR A 67 -7.492 24.523 0.515 1.00 0.00 C ATOM 932 CG TYR A 67 -7.850 24.802 1.965 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.934 26.126 2.437 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.116 23.735 2.845 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.277 26.379 3.776 1.00 0.00 C ATOM 936 CE2 TYR A 67 -8.439 23.986 4.189 1.00 0.00 C ATOM 937 CZ TYR A 67 -8.522 25.310 4.655 1.00 0.00 C ATOM 938 OH TYR A 67 -8.846 25.553 5.958 1.00 0.00 O ATOM 0 H TYR A 67 -5.272 22.414 0.067 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.062 24.206 -0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.899 25.335 -0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.011 23.613 0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.734 26.950 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.071 22.718 2.484 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.352 27.396 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.623 23.163 4.864 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.983 24.702 6.425 1.00 0.00 H new ATOM 948 N THR A 68 -5.635 26.781 -0.064 1.00 0.00 N ATOM 949 CA THR A 68 -4.897 28.042 -0.015 1.00 0.00 C ATOM 950 C THR A 68 -4.794 28.609 1.406 1.00 0.00 C ATOM 951 O THR A 68 -5.491 28.162 2.314 1.00 0.00 O ATOM 952 CB THR A 68 -5.496 29.040 -1.017 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.662 30.176 -1.141 1.00 0.00 O ATOM 954 CG2 THR A 68 -6.893 29.483 -0.595 1.00 0.00 C ATOM 0 H THR A 68 -6.601 26.888 -0.373 1.00 0.00 H new ATOM 0 HA THR A 68 -3.867 27.847 -0.315 1.00 0.00 H new ATOM 0 HB THR A 68 -5.569 28.533 -1.979 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.056 30.802 -1.784 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.287 30.189 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.549 28.614 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.843 29.963 0.382 1.00 0.00 H new ATOM 962 N GLY A 69 -3.908 29.597 1.592 1.00 0.00 N ATOM 963 CA GLY A 69 -3.693 30.250 2.872 1.00 0.00 C ATOM 964 C GLY A 69 -2.506 31.214 2.809 1.00 0.00 C ATOM 965 O GLY A 69 -1.489 30.904 2.189 1.00 0.00 O ATOM 0 H GLY A 69 -3.319 29.963 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.592 30.794 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.514 29.499 3.641 1.00 0.00 H new ATOM 969 N GLY A 70 -2.648 32.378 3.462 1.00 0.00 N ATOM 970 CA GLY A 70 -1.630 33.417 3.535 1.00 0.00 C ATOM 971 C GLY A 70 -1.864 34.491 2.476 1.00 0.00 C ATOM 972 O GLY A 70 -2.857 35.213 2.544 1.00 0.00 O ATOM 0 H GLY A 70 -3.501 32.621 3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.640 33.871 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.644 32.974 3.397 1.00 0.00 H new ATOM 976 N SER A 71 -0.941 34.599 1.510 1.00 0.00 N ATOM 977 CA SER A 71 -1.001 35.561 0.416 1.00 0.00 C ATOM 978 C SER A 71 -0.195 35.043 -0.782 1.00 0.00 C ATOM 979 O SER A 71 -0.807 34.703 -1.794 1.00 0.00 O ATOM 980 CB SER A 71 -0.588 36.968 0.878 1.00 0.00 C ATOM 981 OG SER A 71 -1.664 37.610 1.526 1.00 0.00 O ATOM 0 H SER A 71 -0.115 34.002 1.473 1.00 0.00 H new ATOM 0 HA SER A 71 -2.034 35.663 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.264 36.900 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.267 37.559 0.020 1.00 0.00 H new ATOM 0 HG SER A 71 -2.239 36.938 1.949 1.00 0.00 H new ATOM 987 N PRO A 72 1.148 34.950 -0.719 1.00 0.00 N ATOM 988 CA PRO A 72 1.939 34.369 -1.795 1.00 0.00 C ATOM 989 C PRO A 72 1.759 32.850 -1.834 1.00 0.00 C ATOM 990 O PRO A 72 1.339 32.238 -0.853 1.00 0.00 O ATOM 991 CB PRO A 72 3.391 34.742 -1.487 1.00 0.00 C ATOM 992 CG PRO A 72 3.400 34.791 0.039 1.00 0.00 C ATOM 993 CD PRO A 72 2.022 35.370 0.365 1.00 0.00 C ATOM 0 HA PRO A 72 1.631 34.743 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.091 34.002 -1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.666 35.701 -1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.537 33.801 0.475 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.204 35.421 0.419 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.660 35.001 1.324 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.062 36.457 0.436 1.00 0.00 H new ATOM 1001 N GLY A 73 2.086 32.247 -2.983 1.00 0.00 N ATOM 1002 CA GLY A 73 1.979 30.814 -3.176 1.00 0.00 C ATOM 1003 C GLY A 73 2.549 30.423 -4.532 1.00 0.00 C ATOM 1004 O GLY A 73 3.705 30.008 -4.615 1.00 0.00 O ATOM 0 H GLY A 73 2.432 32.749 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.515 30.292 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.935 30.508 -3.110 1.00 0.00 H new ATOM 1008 N ALA A 74 1.722 30.551 -5.580 1.00 0.00 N ATOM 1009 CA ALA A 74 2.032 30.222 -6.967 1.00 0.00 C ATOM 1010 C ALA A 74 1.869 28.720 -7.226 1.00 0.00 C ATOM 1011 O ALA A 74 1.364 28.341 -8.279 1.00 0.00 O ATOM 1012 CB ALA A 74 3.404 30.754 -7.410 1.00 0.00 C ATOM 0 H ALA A 74 0.772 30.905 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 74 1.305 30.739 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.582 30.480 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.422 31.839 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.182 30.320 -6.782 1.00 0.00 H new ATOM 1018 N ASP A 75 2.288 27.877 -6.271 1.00 0.00 N ATOM 1019 CA ASP A 75 2.238 26.424 -6.329 1.00 0.00 C ATOM 1020 C ASP A 75 0.831 25.816 -6.217 1.00 0.00 C ATOM 1021 O ASP A 75 0.095 26.073 -5.261 1.00 0.00 O ATOM 1022 CB ASP A 75 3.175 25.864 -5.247 1.00 0.00 C ATOM 1023 CG ASP A 75 2.766 26.268 -3.827 1.00 0.00 C ATOM 1024 OD1 ASP A 75 2.789 27.482 -3.537 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.445 25.355 -3.037 1.00 0.00 O ATOM 0 H ASP A 75 2.690 28.216 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 75 2.569 26.133 -7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.192 24.776 -5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.190 26.212 -5.439 1.00 0.00 H new ATOM 1030 N ARG A 76 0.466 24.983 -7.206 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.815 24.293 -7.250 1.00 0.00 C ATOM 1032 C ARG A 76 -0.679 22.849 -7.738 1.00 0.00 C ATOM 1033 O ARG A 76 -0.026 22.602 -8.751 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.847 25.015 -8.135 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.108 26.480 -7.756 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.461 26.982 -8.290 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.599 26.811 -9.742 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.410 27.517 -10.551 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -5.211 28.484 -10.077 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.414 27.256 -11.866 1.00 0.00 N ATOM 0 H ARG A 76 1.067 24.774 -8.003 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.171 24.294 -6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.507 24.977 -9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.789 24.469 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.086 26.583 -6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.308 27.105 -8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.266 26.446 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.576 28.037 -8.040 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.026 26.089 -10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.215 28.700 -9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.816 29.003 -10.714 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.807 26.529 -12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.025 27.785 -12.489 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.291 21.906 -6.999 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.316 20.490 -7.346 1.00 0.00 C ATOM 1056 C VAL A 77 -2.626 20.298 -8.101 1.00 0.00 C ATOM 1057 O VAL A 77 -3.614 20.982 -7.844 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.154 19.518 -6.158 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.294 19.509 -5.667 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.090 19.756 -4.971 1.00 0.00 C ATOM 0 H VAL A 77 -1.787 22.118 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.446 20.236 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.441 18.548 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.390 18.818 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.951 19.191 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.575 20.512 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.889 19.017 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.923 20.756 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.125 19.665 -5.300 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.631 19.370 -9.051 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.785 19.105 -9.891 1.00 0.00 C ATOM 1072 C VAL A 78 -3.960 17.591 -9.947 1.00 0.00 C ATOM 1073 O VAL A 78 -2.964 16.871 -10.028 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.478 19.801 -11.228 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.530 19.591 -12.323 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.318 21.313 -10.959 1.00 0.00 C ATOM 0 H VAL A 78 -1.827 18.778 -9.259 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.740 19.493 -9.536 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.565 19.346 -11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.225 20.119 -13.226 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.623 18.527 -12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.491 19.977 -11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.099 21.828 -11.895 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.242 21.707 -10.535 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.500 21.473 -10.257 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.216 17.116 -9.890 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.535 15.687 -9.895 1.00 0.00 C ATOM 1088 C ILE A 79 -6.695 15.347 -10.843 1.00 0.00 C ATOM 1089 O ILE A 79 -7.428 16.231 -11.288 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.837 15.200 -8.457 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.162 15.742 -7.883 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.684 15.534 -7.496 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.702 14.826 -6.778 1.00 0.00 C ATOM 0 H ILE A 79 -6.038 17.718 -9.839 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.658 15.160 -10.272 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.942 14.118 -8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.006 16.744 -7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.899 15.828 -8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.930 15.178 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.771 15.048 -7.840 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.533 16.613 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.637 15.233 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.881 13.831 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.973 14.762 -5.970 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.836 14.041 -11.118 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.847 13.406 -11.955 1.00 0.00 C ATOM 1107 C ASN A 80 -9.005 12.965 -11.069 1.00 0.00 C ATOM 1108 O ASN A 80 -8.808 12.738 -9.875 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.266 12.138 -12.582 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.173 12.450 -13.591 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.986 12.287 -13.317 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -6.592 12.896 -14.773 1.00 0.00 N ATOM 0 H ASN A 80 -6.192 13.354 -10.727 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.169 14.109 -12.723 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.863 11.498 -11.797 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.063 11.578 -13.072 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.915 13.120 -15.503 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.590 13.014 -14.949 1.00 0.00 H new ATOM 1119 N THR A 81 -10.209 12.834 -11.650 1.00 0.00 N ATOM 1120 CA THR A 81 -11.402 12.434 -10.914 1.00 0.00 C ATOM 1121 C THR A 81 -11.530 10.940 -10.643 1.00 0.00 C ATOM 1122 O THR A 81 -12.413 10.245 -11.142 1.00 0.00 O ATOM 1123 CB THR A 81 -12.651 13.167 -11.411 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.752 12.907 -10.562 1.00 0.00 O ATOM 1125 CG2 THR A 81 -13.018 12.833 -12.846 1.00 0.00 C ATOM 0 H THR A 81 -10.374 13.004 -12.642 1.00 0.00 H new ATOM 0 HA THR A 81 -11.274 12.791 -9.892 1.00 0.00 H new ATOM 0 HB THR A 81 -12.405 14.229 -11.387 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.541 13.385 -10.894 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.912 13.388 -13.131 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.195 13.108 -13.505 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.211 11.764 -12.933 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.583 10.479 -9.827 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.411 9.156 -9.297 1.00 0.00 C ATOM 1135 C ASN A 82 -9.579 9.504 -8.060 1.00 0.00 C ATOM 1136 O ASN A 82 -10.127 9.849 -7.013 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.742 8.263 -10.360 1.00 0.00 C ATOM 1138 CG ASN A 82 -9.353 6.890 -9.816 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -8.168 6.584 -9.693 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.351 6.063 -9.499 1.00 0.00 N ATOM 0 H ASN A 82 -9.847 11.102 -9.495 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.293 8.570 -9.039 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.422 8.136 -11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -8.852 8.764 -10.741 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.146 5.132 -9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.319 6.362 -9.619 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.259 9.416 -8.212 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.224 9.729 -7.230 1.00 0.00 C ATOM 1149 C CYS A 83 -5.834 9.912 -7.859 1.00 0.00 C ATOM 1150 O CYS A 83 -4.854 10.015 -7.121 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.214 8.745 -6.046 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.195 9.238 -4.600 1.00 0.00 S ATOM 0 H CYS A 83 -7.855 9.099 -9.093 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.492 10.701 -6.816 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -7.579 7.780 -6.397 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -6.182 8.599 -5.728 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.714 9.967 -9.194 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.414 10.074 -9.841 1.00 0.00 C ATOM 1159 C GLU A 84 -3.903 11.508 -9.895 1.00 0.00 C ATOM 1160 O GLU A 84 -4.629 12.422 -10.269 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.455 9.445 -11.241 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.923 7.981 -11.228 1.00 0.00 C ATOM 1163 CD GLU A 84 -4.099 7.119 -10.273 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -2.929 6.844 -10.620 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -4.648 6.757 -9.209 1.00 0.00 O ATOM 0 H GLU A 84 -6.504 9.939 -9.838 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.704 9.517 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.122 10.028 -11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.462 9.499 -11.687 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.973 7.940 -10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.855 7.571 -12.236 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.634 11.686 -9.509 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.930 12.958 -9.502 1.00 0.00 C ATOM 1174 C TYR A 85 -1.630 13.311 -10.960 1.00 0.00 C ATOM 1175 O TYR A 85 -0.996 12.535 -11.674 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.688 12.800 -8.587 1.00 0.00 C ATOM 1177 CG TYR A 85 0.504 13.724 -8.800 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.356 13.501 -9.898 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.785 14.789 -7.914 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.463 14.329 -10.128 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.891 15.625 -8.155 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.731 15.398 -9.259 1.00 0.00 C ATOM 1183 OH TYR A 85 3.806 16.209 -9.478 1.00 0.00 O ATOM 0 H TYR A 85 -2.054 10.913 -9.182 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.502 13.790 -9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.020 12.922 -7.556 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.333 11.775 -8.688 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.154 12.681 -10.572 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.153 14.960 -7.055 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.109 14.145 -10.973 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.096 16.448 -7.486 1.00 0.00 H new ATOM 0 HH TYR A 85 4.401 15.793 -10.137 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.103 14.483 -11.403 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.895 14.976 -12.753 1.00 0.00 C ATOM 1195 C ALA A 86 -0.533 15.655 -12.821 1.00 0.00 C ATOM 1196 O ALA A 86 0.315 15.258 -13.615 1.00 0.00 O ATOM 1197 CB ALA A 86 -3.014 15.935 -13.158 1.00 0.00 C ATOM 0 H ALA A 86 -2.647 15.117 -10.819 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.916 14.144 -13.456 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.838 16.292 -14.173 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.971 15.415 -13.117 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.032 16.783 -12.473 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.314 16.676 -11.983 1.00 0.00 N ATOM 1204 CA GLY A 87 0.953 17.376 -11.989 1.00 0.00 C ATOM 1205 C GLY A 87 0.998 18.505 -10.971 1.00 0.00 C ATOM 1206 O GLY A 87 -0.028 19.071 -10.595 1.00 0.00 O ATOM 0 H GLY A 87 -0.993 17.023 -11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.756 16.669 -11.779 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.136 17.781 -12.984 1.00 0.00 H new ATOM 1210 N ALA A 88 2.223 18.803 -10.529 1.00 0.00 N ATOM 1211 CA ALA A 88 2.546 19.851 -9.582 1.00 0.00 C ATOM 1212 C ALA A 88 3.190 20.955 -10.406 1.00 0.00 C ATOM 1213 O ALA A 88 4.288 20.770 -10.928 1.00 0.00 O ATOM 1214 CB ALA A 88 3.503 19.309 -8.525 1.00 0.00 C ATOM 0 H ALA A 88 3.048 18.291 -10.842 1.00 0.00 H new ATOM 0 HA ALA A 88 1.670 20.224 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.745 20.099 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.032 18.479 -7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.417 18.962 -9.006 1.00 0.00 H new ATOM 1220 N ILE A 89 2.500 22.091 -10.525 1.00 0.00 N ATOM 1221 CA ILE A 89 2.957 23.236 -11.297 1.00 0.00 C ATOM 1222 C ILE A 89 2.979 24.471 -10.398 1.00 0.00 C ATOM 1223 O ILE A 89 2.352 24.465 -9.342 1.00 0.00 O ATOM 1224 CB ILE A 89 2.115 23.385 -12.576 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.594 23.470 -12.354 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.451 22.291 -13.596 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.138 22.137 -12.163 1.00 0.00 C ATOM 0 H ILE A 89 1.595 22.238 -10.079 1.00 0.00 H new ATOM 0 HA ILE A 89 3.980 23.093 -11.645 1.00 0.00 H new ATOM 0 HB ILE A 89 2.400 24.358 -12.976 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.410 24.090 -11.477 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.152 23.985 -13.207 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.839 22.425 -14.488 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.505 22.357 -13.866 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.248 21.313 -13.160 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.202 22.324 -12.016 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.002 21.515 -13.047 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.264 21.623 -11.290 1.00 0.00 H new ATOM 1239 N THR A 90 3.697 25.530 -10.800 1.00 0.00 N ATOM 1240 CA THR A 90 3.805 26.736 -9.994 1.00 0.00 C ATOM 1241 C THR A 90 4.238 27.974 -10.774 1.00 0.00 C ATOM 1242 O THR A 90 4.953 27.842 -11.767 1.00 0.00 O ATOM 1243 CB THR A 90 4.871 26.470 -8.909 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.920 27.547 -7.999 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.268 26.257 -9.522 1.00 0.00 C ATOM 0 H THR A 90 4.209 25.567 -11.681 1.00 0.00 H new ATOM 0 HA THR A 90 2.813 26.946 -9.594 1.00 0.00 H new ATOM 0 HB THR A 90 4.583 25.557 -8.387 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.598 27.367 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.990 26.073 -8.727 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.243 25.400 -10.195 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.561 27.147 -10.079 1.00 0.00 H new ATOM 1253 N HIS A 91 3.795 29.169 -10.336 1.00 0.00 N ATOM 1254 CA HIS A 91 4.235 30.426 -10.952 1.00 0.00 C ATOM 1255 C HIS A 91 5.507 30.883 -10.206 1.00 0.00 C ATOM 1256 O HIS A 91 5.518 31.925 -9.551 1.00 0.00 O ATOM 1257 CB HIS A 91 3.196 31.571 -11.096 1.00 0.00 C ATOM 1258 CG HIS A 91 1.808 31.438 -10.549 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.132 32.514 -9.992 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.943 30.388 -10.469 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.080 32.073 -9.616 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.254 30.777 -9.875 1.00 0.00 N ATOM 0 H HIS A 91 3.138 29.285 -9.564 1.00 0.00 H new ATOM 0 HA HIS A 91 4.423 30.197 -12.001 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.634 32.457 -10.637 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.099 31.779 -12.162 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.157 29.389 -10.819 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.830 32.699 -9.155 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.075 30.203 -9.682 1.00 0.00 H new ATOM 1270 N THR A 92 6.595 30.104 -10.283 1.00 0.00 N ATOM 1271 CA THR A 92 7.843 30.440 -9.597 1.00 0.00 C ATOM 1272 C THR A 92 8.471 31.736 -10.113 1.00 0.00 C ATOM 1273 O THR A 92 9.004 32.520 -9.329 1.00 0.00 O ATOM 1274 CB THR A 92 8.826 29.266 -9.572 1.00 0.00 C ATOM 1275 OG1 THR A 92 9.940 29.593 -8.769 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.302 28.904 -10.973 1.00 0.00 C ATOM 0 H THR A 92 6.632 29.235 -10.816 1.00 0.00 H new ATOM 0 HA THR A 92 7.580 30.636 -8.557 1.00 0.00 H new ATOM 0 HB THR A 92 8.305 28.404 -9.156 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.758 29.254 -9.190 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.998 28.067 -10.916 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.446 28.623 -11.587 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.803 29.763 -11.420 1.00 0.00 H new ATOM 1284 N GLY A 93 8.407 31.959 -11.427 1.00 0.00 N ATOM 1285 CA GLY A 93 8.943 33.152 -12.062 1.00 0.00 C ATOM 1286 C GLY A 93 8.918 33.006 -13.579 1.00 0.00 C ATOM 1287 O GLY A 93 9.947 33.180 -14.232 1.00 0.00 O ATOM 0 H GLY A 93 7.976 31.306 -12.082 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.359 34.023 -11.765 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.965 33.323 -11.724 1.00 0.00 H new ATOM 1291 N ALA A 94 7.736 32.700 -14.131 1.00 0.00 N ATOM 1292 CA ALA A 94 7.534 32.518 -15.559 1.00 0.00 C ATOM 1293 C ALA A 94 7.111 33.853 -16.171 1.00 0.00 C ATOM 1294 O ALA A 94 7.937 34.543 -16.767 1.00 0.00 O ATOM 1295 CB ALA A 94 6.541 31.374 -15.793 1.00 0.00 C ATOM 0 H ALA A 94 6.886 32.572 -13.582 1.00 0.00 H new ATOM 0 HA ALA A 94 8.455 32.222 -16.062 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.389 31.237 -16.864 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.937 30.454 -15.362 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.589 31.616 -15.320 1.00 0.00 H new ATOM 1301 N SER A 95 5.832 34.207 -16.007 1.00 0.00 N ATOM 1302 CA SER A 95 5.222 35.439 -16.493 1.00 0.00 C ATOM 1303 C SER A 95 3.945 35.706 -15.689 1.00 0.00 C ATOM 1304 O SER A 95 2.836 35.519 -16.191 1.00 0.00 O ATOM 1305 CB SER A 95 4.917 35.357 -17.995 1.00 0.00 C ATOM 1306 OG SER A 95 6.080 35.162 -18.769 1.00 0.00 O ATOM 0 H SER A 95 5.169 33.613 -15.509 1.00 0.00 H new ATOM 0 HA SER A 95 5.921 36.264 -16.356 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.221 34.539 -18.178 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.421 36.274 -18.313 1.00 0.00 H new ATOM 0 HG SER A 95 5.838 35.114 -19.717 1.00 0.00 H new ATOM 1312 N GLY A 96 4.106 36.139 -14.432 1.00 0.00 N ATOM 1313 CA GLY A 96 3.007 36.459 -13.534 1.00 0.00 C ATOM 1314 C GLY A 96 2.234 35.210 -13.120 1.00 0.00 C ATOM 1315 O GLY A 96 2.700 34.455 -12.268 1.00 0.00 O ATOM 0 H GLY A 96 5.024 36.277 -14.010 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.396 36.957 -12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.331 37.160 -14.022 1.00 0.00 H new ATOM 1319 N ASN A 97 1.058 34.998 -13.724 1.00 0.00 N ATOM 1320 CA ASN A 97 0.191 33.865 -13.432 1.00 0.00 C ATOM 1321 C ASN A 97 0.662 32.591 -14.138 1.00 0.00 C ATOM 1322 O ASN A 97 0.377 31.501 -13.649 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.248 34.206 -13.841 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.229 33.093 -13.475 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -2.842 32.487 -14.353 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.378 32.812 -12.178 1.00 0.00 N ATOM 0 H ASN A 97 0.683 35.622 -14.439 1.00 0.00 H new ATOM 0 HA ASN A 97 0.231 33.671 -12.360 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.553 35.132 -13.354 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.286 34.384 -14.916 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.018 32.073 -11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.852 33.337 -11.479 1.00 0.00 H new ATOM 1333 N ASN A 98 1.380 32.722 -15.267 1.00 0.00 N ATOM 1334 CA ASN A 98 1.885 31.605 -16.061 1.00 0.00 C ATOM 1335 C ASN A 98 2.604 30.579 -15.186 1.00 0.00 C ATOM 1336 O ASN A 98 3.478 30.927 -14.398 1.00 0.00 O ATOM 1337 CB ASN A 98 2.812 32.110 -17.173 1.00 0.00 C ATOM 1338 CG ASN A 98 2.069 32.893 -18.256 1.00 0.00 C ATOM 1339 OD1 ASN A 98 1.080 33.570 -17.986 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.553 32.806 -19.499 1.00 0.00 N ATOM 0 H ASN A 98 1.627 33.632 -15.656 1.00 0.00 H new ATOM 0 HA ASN A 98 1.030 31.109 -16.520 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.583 32.745 -16.736 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.320 31.261 -17.630 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.099 33.311 -20.260 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.377 32.234 -19.687 1.00 0.00 H new ATOM 1347 N PHE A 99 2.224 29.308 -15.346 1.00 0.00 N ATOM 1348 CA PHE A 99 2.746 28.175 -14.602 1.00 0.00 C ATOM 1349 C PHE A 99 3.848 27.414 -15.346 1.00 0.00 C ATOM 1350 O PHE A 99 3.899 27.413 -16.574 1.00 0.00 O ATOM 1351 CB PHE A 99 1.583 27.188 -14.402 1.00 0.00 C ATOM 1352 CG PHE A 99 0.625 27.538 -13.287 1.00 0.00 C ATOM 1353 CD1 PHE A 99 -0.378 28.508 -13.469 1.00 0.00 C ATOM 1354 CD2 PHE A 99 0.735 26.873 -12.057 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -1.245 28.823 -12.409 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -0.128 27.181 -10.999 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.112 28.165 -11.174 1.00 0.00 C ATOM 0 H PHE A 99 1.515 29.037 -16.027 1.00 0.00 H new ATOM 0 HA PHE A 99 3.170 28.558 -13.674 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.021 27.120 -15.334 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.997 26.199 -14.206 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.481 29.009 -14.420 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.493 26.116 -11.925 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.013 29.570 -12.543 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.037 26.665 -10.055 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.770 28.418 -10.356 1.00 0.00 H new ATOM 1367 N VAL A 100 4.724 26.771 -14.561 1.00 0.00 N ATOM 1368 CA VAL A 100 5.833 25.922 -14.993 1.00 0.00 C ATOM 1369 C VAL A 100 5.808 24.668 -14.112 1.00 0.00 C ATOM 1370 O VAL A 100 5.124 24.643 -13.095 1.00 0.00 O ATOM 1371 CB VAL A 100 7.196 26.631 -14.972 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.298 27.625 -16.129 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.486 27.320 -13.642 1.00 0.00 C ATOM 0 H VAL A 100 4.670 26.837 -13.545 1.00 0.00 H new ATOM 0 HA VAL A 100 5.700 25.656 -16.042 1.00 0.00 H new ATOM 0 HB VAL A 100 7.956 25.859 -15.094 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.269 28.119 -16.100 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.189 27.095 -17.075 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.509 28.371 -16.038 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.462 27.803 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.719 28.069 -13.446 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.484 26.581 -12.841 1.00 0.00 H new ATOM 1383 N GLY A 101 6.561 23.629 -14.484 1.00 0.00 N ATOM 1384 CA GLY A 101 6.586 22.361 -13.761 1.00 0.00 C ATOM 1385 C GLY A 101 7.489 22.295 -12.527 1.00 0.00 C ATOM 1386 O GLY A 101 8.495 22.995 -12.445 1.00 0.00 O ATOM 0 H GLY A 101 7.173 23.647 -15.300 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.568 22.125 -13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.898 21.580 -14.454 1.00 0.00 H new ATOM 1390 N CYS A 102 7.094 21.440 -11.568 1.00 0.00 N ATOM 1391 CA CYS A 102 7.809 21.158 -10.325 1.00 0.00 C ATOM 1392 C CYS A 102 8.426 19.761 -10.480 1.00 0.00 C ATOM 1393 O CYS A 102 8.369 19.174 -11.562 1.00 0.00 O ATOM 1394 CB CYS A 102 6.893 21.236 -9.093 1.00 0.00 C ATOM 1395 SG CYS A 102 5.908 22.749 -8.894 1.00 0.00 S ATOM 0 H CYS A 102 6.228 20.906 -11.648 1.00 0.00 H new ATOM 0 HA CYS A 102 8.580 21.910 -10.156 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.209 20.388 -9.125 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.511 21.114 -8.203 1.00 0.00 H new ATOM 1400 N SER A 103 9.031 19.213 -9.419 1.00 0.00 N ATOM 1401 CA SER A 103 9.612 17.878 -9.494 1.00 0.00 C ATOM 1402 C SER A 103 8.483 16.849 -9.612 1.00 0.00 C ATOM 1403 O SER A 103 7.434 16.992 -8.982 1.00 0.00 O ATOM 1404 CB SER A 103 10.535 17.613 -8.303 1.00 0.00 C ATOM 1405 OG SER A 103 11.117 16.331 -8.405 1.00 0.00 O ATOM 0 H SER A 103 9.128 19.670 -8.512 1.00 0.00 H new ATOM 0 HA SER A 103 10.239 17.794 -10.382 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.317 18.372 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.971 17.690 -7.374 1.00 0.00 H new ATOM 0 HG SER A 103 11.706 16.177 -7.637 1.00 0.00 H new ATOM 1411 N GLY A 104 8.705 15.820 -10.436 1.00 0.00 N ATOM 1412 CA GLY A 104 7.742 14.763 -10.691 1.00 0.00 C ATOM 1413 C GLY A 104 6.592 15.258 -11.572 1.00 0.00 C ATOM 1414 O GLY A 104 5.467 14.793 -11.414 1.00 0.00 O ATOM 0 H GLY A 104 9.578 15.703 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.240 13.924 -11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.345 14.394 -9.745 1.00 0.00 H new ATOM 1418 N THR A 105 6.872 16.197 -12.488 1.00 0.00 N ATOM 1419 CA THR A 105 5.905 16.775 -13.412 1.00 0.00 C ATOM 1420 C THR A 105 6.589 16.878 -14.772 1.00 0.00 C ATOM 1421 O THR A 105 7.474 17.714 -14.954 1.00 0.00 O ATOM 1422 CB THR A 105 5.444 18.147 -12.898 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.932 18.019 -11.588 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.371 18.762 -13.799 1.00 0.00 C ATOM 0 H THR A 105 7.809 16.582 -12.604 1.00 0.00 H new ATOM 0 HA THR A 105 5.013 16.155 -13.497 1.00 0.00 H new ATOM 0 HB THR A 105 6.311 18.808 -12.903 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.795 18.909 -11.202 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.073 19.731 -13.400 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.771 18.891 -14.805 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.504 18.102 -13.835 1.00 0.00 H new ATOM 1432 N ASN A 106 6.178 16.029 -15.721 1.00 0.00 N ATOM 1433 CA ASN A 106 6.745 15.989 -17.057 1.00 0.00 C ATOM 1434 C ASN A 106 5.752 15.330 -18.012 1.00 0.00 C ATOM 1435 O ASN A 106 5.564 14.100 -17.882 1.00 0.00 O ATOM 1436 CB ASN A 106 8.086 15.240 -17.011 1.00 0.00 C ATOM 1437 CG ASN A 106 8.774 15.230 -18.372 1.00 0.00 C ATOM 1438 OD1 ASN A 106 8.788 14.210 -19.057 1.00 0.00 O ATOM 1439 ND2 ASN A 106 9.351 16.369 -18.765 1.00 0.00 N ATOM 1440 OXT ASN A 106 5.068 16.094 -18.729 1.00 0.00 O ATOM 0 H ASN A 106 5.434 15.347 -15.573 1.00 0.00 H new ATOM 0 HA ASN A 106 6.935 16.997 -17.424 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.740 15.710 -16.276 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.919 14.215 -16.680 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.827 16.415 -19.666 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.315 17.193 -18.164 1.00 0.00 H new TER 1447 ASN A 106