USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 667 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 95 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Set 2.1: A 28 GLN : amide:sc= -0.0186 X(o=0.15,f=-0.24) USER MOD Set 2.2: A 81 THR OG1 : rot 18:sc= 0.166 USER MOD Set 3.1: A 62 LYS NZ :NH3+ 169:sc= 0.276 (180deg=0) USER MOD Set 3.2: A 68 THR OG1 : rot -70:sc= 0.243 USER MOD Set 4.1: A 43 ASN : amide:sc= 0 X(o=0,f=0.37) USER MOD Set 4.2: A 44 ASN : amide:sc= 0 X(o=0,f=0.37) USER MOD Set 5.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 21 ASN : amide:sc= 0 X(o=0.061,f=0.19) USER MOD Set 6.2: A 25 GLN : amide:sc= 0.0615 X(o=0.061,f=0.19) USER MOD Set 7.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 10 ASN : amide:sc= -0.109 K(o=-0.11,f=-2) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -90:sc= -0.0847 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 110:sc= -0.0966 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= -0.0537 K(o=-0.054,f=-2.2!) USER MOD Single : A 26 TYR OH : rot -156:sc= 1.15 USER MOD Single : A 29 ASN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 64:sc= 0.0289 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -0.325 K(o=-0.32,f=-3.7!) USER MOD Single : A 42 TYR OH : rot 180:sc= 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 57 GLN : amide:sc= -0.615 K(o=-0.62,f=-1.2) USER MOD Single : A 63 SER OG : rot -11:sc= 0.779 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.659 K(o=-0.66,f=0.27) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 THR OG1 : rot -126:sc= -0.157 USER MOD Single : A 91 HIS : no HD1:sc= -2.04! C(o=-2!,f=-2.1!) USER MOD Single : A 92 THR OG1 : rot -39:sc= 0.576 USER MOD Single : A 97 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 103 SER OG : rot -53:sc= 0.135 USER MOD Single : A 105 THR OG1 : rot -60:sc= 0.491 USER MOD Single : A 106 ASN : amide:sc= 0.00285 K(o=0.0028,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 6.797 12.259 -6.012 1.00 0.00 N ATOM 16 CA SER A 2 7.994 11.876 -5.277 1.00 0.00 C ATOM 17 C SER A 2 8.897 13.099 -5.096 1.00 0.00 C ATOM 18 O SER A 2 9.580 13.500 -6.039 1.00 0.00 O ATOM 19 CB SER A 2 8.710 10.728 -6.003 1.00 0.00 C ATOM 20 OG SER A 2 9.856 10.340 -5.275 1.00 0.00 O ATOM 0 HA SER A 2 7.724 11.513 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.035 9.880 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.995 11.043 -7.007 1.00 0.00 H new ATOM 0 HG SER A 2 10.308 9.606 -5.742 1.00 0.00 H new ATOM 26 N ALA A 3 8.890 13.681 -3.887 1.00 0.00 N ATOM 27 CA ALA A 3 9.680 14.849 -3.508 1.00 0.00 C ATOM 28 C ALA A 3 9.369 16.004 -4.462 1.00 0.00 C ATOM 29 O ALA A 3 10.173 16.341 -5.331 1.00 0.00 O ATOM 30 CB ALA A 3 11.173 14.494 -3.446 1.00 0.00 C ATOM 0 H ALA A 3 8.311 13.334 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 3 9.409 15.178 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.745 15.377 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.330 13.707 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.505 14.145 -4.424 1.00 0.00 H new ATOM 36 N THR A 4 8.196 16.620 -4.281 1.00 0.00 N ATOM 37 CA THR A 4 7.673 17.699 -5.077 1.00 0.00 C ATOM 38 C THR A 4 8.328 19.014 -4.655 1.00 0.00 C ATOM 39 O THR A 4 7.953 19.598 -3.643 1.00 0.00 O ATOM 40 CB THR A 4 6.172 17.659 -4.784 1.00 0.00 C ATOM 41 OG1 THR A 4 5.691 16.339 -4.949 1.00 0.00 O ATOM 42 CG2 THR A 4 5.362 18.592 -5.661 1.00 0.00 C ATOM 0 H THR A 4 7.562 16.352 -3.528 1.00 0.00 H new ATOM 0 HA THR A 4 7.871 17.611 -6.145 1.00 0.00 H new ATOM 0 HB THR A 4 6.048 17.997 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.400 16.210 -5.876 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.307 18.513 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.698 19.618 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.498 18.318 -6.707 1.00 0.00 H new ATOM 50 N THR A 5 9.312 19.472 -5.436 1.00 0.00 N ATOM 51 CA THR A 5 10.069 20.677 -5.210 1.00 0.00 C ATOM 52 C THR A 5 9.765 21.615 -6.373 1.00 0.00 C ATOM 53 O THR A 5 10.082 21.301 -7.521 1.00 0.00 O ATOM 54 CB THR A 5 11.540 20.258 -5.075 1.00 0.00 C ATOM 55 OG1 THR A 5 11.821 19.974 -3.721 1.00 0.00 O ATOM 56 CG2 THR A 5 12.501 21.308 -5.609 1.00 0.00 C ATOM 0 H THR A 5 9.605 18.979 -6.279 1.00 0.00 H new ATOM 0 HA THR A 5 9.813 21.218 -4.299 1.00 0.00 H new ATOM 0 HB THR A 5 11.688 19.366 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.759 19.705 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.526 20.958 -5.488 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.299 21.482 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.367 22.238 -5.057 1.00 0.00 H new ATOM 64 N CYS A 6 9.136 22.758 -6.065 1.00 0.00 N ATOM 65 CA CYS A 6 8.756 23.756 -7.049 1.00 0.00 C ATOM 66 C CYS A 6 9.564 25.035 -6.828 1.00 0.00 C ATOM 67 O CYS A 6 9.184 25.888 -6.027 1.00 0.00 O ATOM 68 CB CYS A 6 7.247 24.016 -6.999 1.00 0.00 C ATOM 69 SG CYS A 6 6.108 22.600 -6.977 1.00 0.00 S ATOM 0 H CYS A 6 8.878 23.009 -5.111 1.00 0.00 H new ATOM 0 HA CYS A 6 8.984 23.383 -8.048 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.046 24.614 -6.110 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.991 24.631 -7.862 1.00 0.00 H new ATOM 74 N GLY A 7 10.688 25.156 -7.546 1.00 0.00 N ATOM 75 CA GLY A 7 11.591 26.294 -7.463 1.00 0.00 C ATOM 76 C GLY A 7 12.318 26.292 -6.122 1.00 0.00 C ATOM 77 O GLY A 7 13.359 25.651 -5.987 1.00 0.00 O ATOM 0 H GLY A 7 10.995 24.447 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.314 26.254 -8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.031 27.222 -7.580 1.00 0.00 H new ATOM 81 N SER A 8 11.763 27.019 -5.143 1.00 0.00 N ATOM 82 CA SER A 8 12.295 27.130 -3.792 1.00 0.00 C ATOM 83 C SER A 8 11.156 26.949 -2.785 1.00 0.00 C ATOM 84 O SER A 8 11.077 27.670 -1.792 1.00 0.00 O ATOM 85 CB SER A 8 13.004 28.483 -3.626 1.00 0.00 C ATOM 86 OG SER A 8 14.090 28.585 -4.523 1.00 0.00 O ATOM 0 H SER A 8 10.908 27.558 -5.280 1.00 0.00 H new ATOM 0 HA SER A 8 13.033 26.349 -3.608 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.299 29.294 -3.806 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.360 28.591 -2.601 1.00 0.00 H new ATOM 0 HG SER A 8 14.530 29.453 -4.406 1.00 0.00 H new ATOM 92 N THR A 9 10.267 25.983 -3.059 1.00 0.00 N ATOM 93 CA THR A 9 9.127 25.638 -2.224 1.00 0.00 C ATOM 94 C THR A 9 9.027 24.114 -2.276 1.00 0.00 C ATOM 95 O THR A 9 8.341 23.548 -3.128 1.00 0.00 O ATOM 96 CB THR A 9 7.853 26.355 -2.707 1.00 0.00 C ATOM 97 OG1 THR A 9 8.106 27.712 -3.006 1.00 0.00 O ATOM 98 CG2 THR A 9 6.812 26.307 -1.590 1.00 0.00 C ATOM 0 H THR A 9 10.332 25.406 -3.898 1.00 0.00 H new ATOM 0 HA THR A 9 9.249 25.968 -1.192 1.00 0.00 H new ATOM 0 HB THR A 9 7.501 25.853 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.279 28.139 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.903 26.812 -1.918 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.584 25.269 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.205 26.807 -0.705 1.00 0.00 H new ATOM 106 N ASN A 10 9.731 23.460 -1.345 1.00 0.00 N ATOM 107 CA ASN A 10 9.820 22.013 -1.241 1.00 0.00 C ATOM 108 C ASN A 10 8.678 21.384 -0.443 1.00 0.00 C ATOM 109 O ASN A 10 8.231 21.945 0.557 1.00 0.00 O ATOM 110 CB ASN A 10 11.186 21.635 -0.649 1.00 0.00 C ATOM 111 CG ASN A 10 12.370 22.091 -1.510 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.201 22.763 -2.528 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.584 21.716 -1.102 1.00 0.00 N ATOM 0 H ASN A 10 10.268 23.944 -0.625 1.00 0.00 H new ATOM 0 HA ASN A 10 9.722 21.606 -2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.278 22.075 0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.233 20.553 -0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.408 21.986 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.688 21.159 -0.254 1.00 0.00 H new ATOM 120 N TYR A 11 8.218 20.217 -0.916 1.00 0.00 N ATOM 121 CA TYR A 11 7.158 19.416 -0.318 1.00 0.00 C ATOM 122 C TYR A 11 7.498 17.929 -0.443 1.00 0.00 C ATOM 123 O TYR A 11 7.943 17.469 -1.498 1.00 0.00 O ATOM 124 CB TYR A 11 5.798 19.632 -1.005 1.00 0.00 C ATOM 125 CG TYR A 11 5.464 21.006 -1.533 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.277 22.083 -0.652 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.321 21.198 -2.918 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.952 23.347 -1.165 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.002 22.463 -3.427 1.00 0.00 C ATOM 130 CZ TYR A 11 4.820 23.538 -2.547 1.00 0.00 C ATOM 131 OH TYR A 11 4.522 24.770 -3.034 1.00 0.00 O ATOM 0 H TYR A 11 8.596 19.793 -1.763 1.00 0.00 H new ATOM 0 HA TYR A 11 7.085 19.728 0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.734 18.933 -1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.020 19.353 -0.294 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.383 21.939 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.458 20.366 -3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.803 24.178 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.897 22.609 -4.492 1.00 0.00 H new ATOM 0 HH TYR A 11 5.303 25.135 -3.500 1.00 0.00 H new ATOM 141 N SER A 12 7.271 17.181 0.641 1.00 0.00 N ATOM 142 CA SER A 12 7.489 15.745 0.724 1.00 0.00 C ATOM 143 C SER A 12 6.530 15.014 -0.196 1.00 0.00 C ATOM 144 O SER A 12 5.487 15.544 -0.581 1.00 0.00 O ATOM 145 CB SER A 12 7.276 15.289 2.172 1.00 0.00 C ATOM 146 OG SER A 12 8.191 15.943 3.026 1.00 0.00 O ATOM 0 H SER A 12 6.918 17.578 1.512 1.00 0.00 H new ATOM 0 HA SER A 12 8.508 15.515 0.413 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.255 15.508 2.484 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.407 14.209 2.244 1.00 0.00 H new ATOM 0 HG SER A 12 8.046 15.647 3.949 1.00 0.00 H new ATOM 152 N ALA A 13 6.908 13.782 -0.558 1.00 0.00 N ATOM 153 CA ALA A 13 6.063 12.925 -1.365 1.00 0.00 C ATOM 154 C ALA A 13 4.789 12.681 -0.545 1.00 0.00 C ATOM 155 O ALA A 13 3.734 12.377 -1.100 1.00 0.00 O ATOM 156 CB ALA A 13 6.785 11.598 -1.614 1.00 0.00 C ATOM 0 H ALA A 13 7.801 13.364 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 13 5.830 13.376 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.154 10.949 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.722 11.786 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.994 11.113 -0.660 1.00 0.00 H new ATOM 162 N SER A 14 4.911 12.838 0.784 1.00 0.00 N ATOM 163 CA SER A 14 3.837 12.674 1.747 1.00 0.00 C ATOM 164 C SER A 14 2.918 13.897 1.718 1.00 0.00 C ATOM 165 O SER A 14 1.713 13.760 1.922 1.00 0.00 O ATOM 166 CB SER A 14 4.432 12.467 3.143 1.00 0.00 C ATOM 167 OG SER A 14 3.404 12.200 4.072 1.00 0.00 O ATOM 0 H SER A 14 5.797 13.092 1.221 1.00 0.00 H new ATOM 0 HA SER A 14 3.242 11.798 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.141 11.640 3.126 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.986 13.355 3.447 1.00 0.00 H new ATOM 0 HG SER A 14 3.793 12.067 4.962 1.00 0.00 H new ATOM 173 N GLN A 15 3.477 15.087 1.455 1.00 0.00 N ATOM 174 CA GLN A 15 2.740 16.334 1.414 1.00 0.00 C ATOM 175 C GLN A 15 1.918 16.408 0.130 1.00 0.00 C ATOM 176 O GLN A 15 0.789 16.887 0.158 1.00 0.00 O ATOM 177 CB GLN A 15 3.712 17.509 1.585 1.00 0.00 C ATOM 178 CG GLN A 15 3.018 18.860 1.819 1.00 0.00 C ATOM 179 CD GLN A 15 2.624 19.081 3.279 1.00 0.00 C ATOM 180 OE1 GLN A 15 1.917 18.269 3.871 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.083 20.191 3.867 1.00 0.00 N ATOM 0 H GLN A 15 4.472 15.199 1.263 1.00 0.00 H new ATOM 0 HA GLN A 15 2.030 16.389 2.239 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.374 17.301 2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.339 17.582 0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.682 19.664 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.126 18.918 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.668 20.842 3.342 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.848 20.387 4.840 1.00 0.00 H new ATOM 190 N VAL A 16 2.487 15.947 -0.990 1.00 0.00 N ATOM 191 CA VAL A 16 1.813 15.920 -2.283 1.00 0.00 C ATOM 192 C VAL A 16 0.626 14.953 -2.247 1.00 0.00 C ATOM 193 O VAL A 16 -0.446 15.285 -2.746 1.00 0.00 O ATOM 194 CB VAL A 16 2.782 15.594 -3.438 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.636 14.217 -4.103 1.00 0.00 C ATOM 196 CG2 VAL A 16 2.587 16.676 -4.488 1.00 0.00 C ATOM 0 H VAL A 16 3.438 15.580 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 16 1.430 16.921 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 16 3.779 15.563 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.376 14.116 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.793 13.435 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.635 14.121 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.253 16.490 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.553 16.665 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.814 17.650 -4.054 1.00 0.00 H new ATOM 206 N ARG A 17 0.823 13.756 -1.669 1.00 0.00 N ATOM 207 CA ARG A 17 -0.220 12.740 -1.553 1.00 0.00 C ATOM 208 C ARG A 17 -1.338 13.226 -0.637 1.00 0.00 C ATOM 209 O ARG A 17 -2.505 12.956 -0.901 1.00 0.00 O ATOM 210 CB ARG A 17 0.367 11.385 -1.114 1.00 0.00 C ATOM 211 CG ARG A 17 0.025 10.926 0.315 1.00 0.00 C ATOM 212 CD ARG A 17 0.639 9.560 0.651 1.00 0.00 C ATOM 213 NE ARG A 17 2.106 9.621 0.676 1.00 0.00 N ATOM 214 CZ ARG A 17 2.922 8.811 1.376 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.445 7.780 2.092 1.00 0.00 N ATOM 216 NH2 ARG A 17 4.241 9.044 1.363 1.00 0.00 N ATOM 0 H ARG A 17 1.717 13.471 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.661 12.576 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.023 10.621 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.452 11.436 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.384 11.668 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.058 10.873 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.271 9.223 1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.317 8.824 -0.086 1.00 0.00 H new ATOM 0 HE ARG A 17 2.548 10.345 0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.442 7.595 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.086 7.182 2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.615 9.827 0.827 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.871 8.438 1.889 1.00 0.00 H new ATOM 230 N ALA A 18 -0.967 13.927 0.439 1.00 0.00 N ATOM 231 CA ALA A 18 -1.904 14.485 1.409 1.00 0.00 C ATOM 232 C ALA A 18 -2.722 15.588 0.742 1.00 0.00 C ATOM 233 O ALA A 18 -3.946 15.638 0.870 1.00 0.00 O ATOM 234 CB ALA A 18 -1.154 15.028 2.628 1.00 0.00 C ATOM 0 H ALA A 18 0.009 14.124 0.661 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.577 13.700 1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.868 15.440 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.595 14.221 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.464 15.811 2.312 1.00 0.00 H new ATOM 240 N ALA A 19 -2.019 16.465 0.016 1.00 0.00 N ATOM 241 CA ALA A 19 -2.609 17.567 -0.715 1.00 0.00 C ATOM 242 C ALA A 19 -3.632 17.016 -1.700 1.00 0.00 C ATOM 243 O ALA A 19 -4.718 17.573 -1.841 1.00 0.00 O ATOM 244 CB ALA A 19 -1.524 18.385 -1.412 1.00 0.00 C ATOM 0 H ALA A 19 -1.004 16.418 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.121 18.241 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.984 19.209 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.833 18.782 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.979 17.748 -2.109 1.00 0.00 H new ATOM 250 N ALA A 20 -3.274 15.910 -2.365 1.00 0.00 N ATOM 251 CA ALA A 20 -4.129 15.247 -3.326 1.00 0.00 C ATOM 252 C ALA A 20 -5.206 14.380 -2.694 1.00 0.00 C ATOM 253 O ALA A 20 -6.184 14.069 -3.366 1.00 0.00 O ATOM 254 CB ALA A 20 -3.284 14.501 -4.361 1.00 0.00 C ATOM 0 H ALA A 20 -2.370 15.455 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.691 16.022 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.940 14.007 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.642 15.209 -4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.668 13.755 -3.859 1.00 0.00 H new ATOM 260 N ASN A 21 -5.041 13.976 -1.432 1.00 0.00 N ATOM 261 CA ASN A 21 -6.046 13.194 -0.733 1.00 0.00 C ATOM 262 C ASN A 21 -7.186 14.154 -0.378 1.00 0.00 C ATOM 263 O ASN A 21 -8.334 13.733 -0.250 1.00 0.00 O ATOM 264 CB ASN A 21 -5.440 12.534 0.511 1.00 0.00 C ATOM 265 CG ASN A 21 -6.466 11.677 1.250 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.866 10.624 0.759 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.897 12.124 2.433 1.00 0.00 N ATOM 0 H ASN A 21 -4.212 14.183 -0.876 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.425 12.382 -1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.592 11.915 0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.057 13.303 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.583 11.586 2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.540 13.004 2.807 1.00 0.00 H new ATOM 274 N ALA A 22 -6.872 15.454 -0.240 1.00 0.00 N ATOM 275 CA ALA A 22 -7.869 16.461 0.108 1.00 0.00 C ATOM 276 C ALA A 22 -8.571 16.774 -1.199 1.00 0.00 C ATOM 277 O ALA A 22 -9.799 16.780 -1.259 1.00 0.00 O ATOM 278 CB ALA A 22 -7.215 17.684 0.733 1.00 0.00 C ATOM 0 H ALA A 22 -5.930 15.825 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.577 16.112 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.981 18.418 0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.685 17.390 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.510 18.121 0.026 1.00 0.00 H new ATOM 284 N ALA A 23 -7.757 17.045 -2.229 1.00 0.00 N ATOM 285 CA ALA A 23 -8.230 17.292 -3.585 1.00 0.00 C ATOM 286 C ALA A 23 -9.250 16.218 -3.979 1.00 0.00 C ATOM 287 O ALA A 23 -10.334 16.531 -4.463 1.00 0.00 O ATOM 288 CB ALA A 23 -7.049 17.276 -4.559 1.00 0.00 C ATOM 0 H ALA A 23 -6.743 17.098 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.708 18.271 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.409 17.461 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.337 18.052 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.559 16.303 -4.521 1.00 0.00 H new ATOM 294 N CYS A 24 -8.884 14.953 -3.746 1.00 0.00 N ATOM 295 CA CYS A 24 -9.659 13.757 -4.026 1.00 0.00 C ATOM 296 C CYS A 24 -10.893 13.615 -3.131 1.00 0.00 C ATOM 297 O CYS A 24 -11.884 13.042 -3.575 1.00 0.00 O ATOM 298 CB CYS A 24 -8.726 12.551 -3.867 1.00 0.00 C ATOM 299 SG CYS A 24 -9.477 10.905 -3.898 1.00 0.00 S ATOM 0 H CYS A 24 -7.979 14.732 -3.330 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.047 13.822 -5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.980 12.596 -4.661 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.193 12.660 -2.922 1.00 0.00 H new ATOM 304 N GLN A 25 -10.871 14.126 -1.893 1.00 0.00 N ATOM 305 CA GLN A 25 -12.007 13.989 -0.999 1.00 0.00 C ATOM 306 C GLN A 25 -13.170 14.893 -1.401 1.00 0.00 C ATOM 307 O GLN A 25 -14.234 14.400 -1.771 1.00 0.00 O ATOM 308 CB GLN A 25 -11.589 14.287 0.451 1.00 0.00 C ATOM 309 CG GLN A 25 -11.124 13.025 1.183 1.00 0.00 C ATOM 310 CD GLN A 25 -10.559 13.366 2.561 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.382 13.693 2.688 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.398 13.294 3.598 1.00 0.00 N ATOM 0 H GLN A 25 -10.079 14.634 -1.498 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.350 12.957 -1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.786 15.024 0.453 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.429 14.729 0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.960 12.334 1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.364 12.516 0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.369 13.018 3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.068 13.515 4.537 1.00 0.00 H new ATOM 321 N TYR A 26 -12.960 16.212 -1.350 1.00 0.00 N ATOM 322 CA TYR A 26 -14.027 17.167 -1.630 1.00 0.00 C ATOM 323 C TYR A 26 -14.577 17.234 -3.047 1.00 0.00 C ATOM 324 O TYR A 26 -15.790 17.234 -3.252 1.00 0.00 O ATOM 325 CB TYR A 26 -13.789 18.535 -0.989 1.00 0.00 C ATOM 326 CG TYR A 26 -12.637 19.477 -1.295 1.00 0.00 C ATOM 327 CD1 TYR A 26 -11.619 19.205 -2.226 1.00 0.00 C ATOM 328 CD2 TYR A 26 -12.617 20.702 -0.597 1.00 0.00 C ATOM 329 CE1 TYR A 26 -10.608 20.154 -2.455 1.00 0.00 C ATOM 330 CE2 TYR A 26 -11.603 21.644 -0.823 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.595 21.372 -1.757 1.00 0.00 C ATOM 332 OH TYR A 26 -9.616 22.293 -1.991 1.00 0.00 O ATOM 0 H TYR A 26 -12.063 16.638 -1.118 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.872 16.710 -1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.696 19.109 -1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.743 18.353 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.614 18.269 -2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -13.394 20.918 0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.832 19.944 -3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.599 22.577 -0.278 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.518 22.872 -1.207 1.00 0.00 H new ATOM 342 N TYR A 27 -13.675 17.280 -4.012 1.00 0.00 N ATOM 343 CA TYR A 27 -13.988 17.374 -5.432 1.00 0.00 C ATOM 344 C TYR A 27 -14.822 16.191 -5.922 1.00 0.00 C ATOM 345 O TYR A 27 -15.593 16.346 -6.868 1.00 0.00 O ATOM 346 CB TYR A 27 -12.704 17.485 -6.258 1.00 0.00 C ATOM 347 CG TYR A 27 -12.947 17.681 -7.743 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.343 18.939 -8.239 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.795 16.599 -8.631 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.584 19.114 -9.613 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.042 16.774 -10.003 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.439 18.030 -10.496 1.00 0.00 C ATOM 353 OH TYR A 27 -13.668 18.193 -11.833 1.00 0.00 O ATOM 0 H TYR A 27 -12.673 17.252 -3.826 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.586 18.276 -5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.112 18.320 -5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.110 16.583 -6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.462 19.772 -7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.488 15.633 -8.257 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.881 20.082 -9.990 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.927 15.941 -10.681 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.521 17.342 -12.296 1.00 0.00 H new ATOM 363 N GLN A 28 -14.687 15.021 -5.283 1.00 0.00 N ATOM 364 CA GLN A 28 -15.412 13.828 -5.695 1.00 0.00 C ATOM 365 C GLN A 28 -16.819 13.852 -5.106 1.00 0.00 C ATOM 366 O GLN A 28 -17.778 14.066 -5.847 1.00 0.00 O ATOM 367 CB GLN A 28 -14.638 12.561 -5.308 1.00 0.00 C ATOM 368 CG GLN A 28 -13.344 12.401 -6.121 1.00 0.00 C ATOM 369 CD GLN A 28 -13.594 12.113 -7.601 1.00 0.00 C ATOM 370 OE1 GLN A 28 -13.343 12.962 -8.454 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.081 10.907 -7.905 1.00 0.00 N ATOM 0 H GLN A 28 -14.078 14.883 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.507 13.817 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.396 12.595 -4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.272 11.688 -5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.751 13.311 -6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.753 11.591 -5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.275 10.233 -7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.259 10.660 -8.878 1.00 0.00 H new ATOM 380 N ASN A 29 -16.936 13.649 -3.787 1.00 0.00 N ATOM 381 CA ASN A 29 -18.228 13.619 -3.097 1.00 0.00 C ATOM 382 C ASN A 29 -18.115 13.586 -1.564 1.00 0.00 C ATOM 383 O ASN A 29 -19.054 13.139 -0.905 1.00 0.00 O ATOM 384 CB ASN A 29 -19.095 12.451 -3.616 1.00 0.00 C ATOM 385 CG ASN A 29 -18.391 11.098 -3.513 1.00 0.00 C ATOM 386 OD1 ASN A 29 -17.918 10.567 -4.517 1.00 0.00 O ATOM 387 ND2 ASN A 29 -18.327 10.532 -2.305 1.00 0.00 N ATOM 0 H ASN A 29 -16.137 13.501 -3.171 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.719 14.563 -3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.025 12.415 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.363 12.638 -4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.873 9.626 -2.190 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.732 11.006 -1.498 1.00 0.00 H new ATOM 394 N ASP A 30 -16.999 14.049 -0.987 1.00 0.00 N ATOM 395 CA ASP A 30 -16.797 14.088 0.459 1.00 0.00 C ATOM 396 C ASP A 30 -16.541 15.542 0.847 1.00 0.00 C ATOM 397 O ASP A 30 -15.404 15.926 1.109 1.00 0.00 O ATOM 398 CB ASP A 30 -15.687 13.111 0.876 1.00 0.00 C ATOM 399 CG ASP A 30 -15.562 13.014 2.395 1.00 0.00 C ATOM 400 OD1 ASP A 30 -16.510 12.474 3.009 1.00 0.00 O ATOM 401 OD2 ASP A 30 -14.524 13.480 2.915 1.00 0.00 O ATOM 0 H ASP A 30 -16.207 14.409 -1.519 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.678 13.748 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.897 12.124 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.737 13.437 0.453 1.00 0.00 H new ATOM 406 N ASP A 31 -17.645 16.305 0.876 1.00 0.00 N ATOM 407 CA ASP A 31 -17.830 17.725 1.168 1.00 0.00 C ATOM 408 C ASP A 31 -18.240 18.431 -0.124 1.00 0.00 C ATOM 409 O ASP A 31 -17.641 18.205 -1.174 1.00 0.00 O ATOM 410 CB ASP A 31 -16.633 18.436 1.824 1.00 0.00 C ATOM 411 CG ASP A 31 -16.259 17.865 3.191 1.00 0.00 C ATOM 412 OD1 ASP A 31 -17.187 17.679 4.006 1.00 0.00 O ATOM 413 OD2 ASP A 31 -15.047 17.636 3.401 1.00 0.00 O ATOM 0 H ASP A 31 -18.546 15.876 0.666 1.00 0.00 H new ATOM 0 HA ASP A 31 -18.610 17.784 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.771 18.365 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.865 19.495 1.933 1.00 0.00 H new ATOM 418 N THR A 32 -19.270 19.279 -0.025 1.00 0.00 N ATOM 419 CA THR A 32 -19.819 20.059 -1.126 1.00 0.00 C ATOM 420 C THR A 32 -19.105 21.411 -1.178 1.00 0.00 C ATOM 421 O THR A 32 -19.603 22.416 -0.674 1.00 0.00 O ATOM 422 CB THR A 32 -21.353 20.145 -1.042 1.00 0.00 C ATOM 423 OG1 THR A 32 -21.850 21.103 -1.956 1.00 0.00 O ATOM 424 CG2 THR A 32 -21.856 20.457 0.365 1.00 0.00 C ATOM 0 H THR A 32 -19.757 19.442 0.856 1.00 0.00 H new ATOM 0 HA THR A 32 -19.631 19.563 -2.078 1.00 0.00 H new ATOM 0 HB THR A 32 -21.731 19.157 -1.306 1.00 0.00 H new ATOM 0 HG1 THR A 32 -22.827 21.143 -1.889 1.00 0.00 H new ATOM 0 HG21 THR A 32 -22.945 20.505 0.360 1.00 0.00 H new ATOM 0 HG22 THR A 32 -21.530 19.674 1.050 1.00 0.00 H new ATOM 0 HG23 THR A 32 -21.452 21.415 0.691 1.00 0.00 H new ATOM 432 N ALA A 33 -17.916 21.420 -1.793 1.00 0.00 N ATOM 433 CA ALA A 33 -17.081 22.606 -1.929 1.00 0.00 C ATOM 434 C ALA A 33 -17.750 23.697 -2.770 1.00 0.00 C ATOM 435 O ALA A 33 -18.694 23.436 -3.517 1.00 0.00 O ATOM 436 CB ALA A 33 -15.725 22.215 -2.516 1.00 0.00 C ATOM 0 H ALA A 33 -17.506 20.587 -2.215 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.936 23.029 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.102 23.104 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.234 21.501 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.870 21.761 -3.496 1.00 0.00 H new ATOM 442 N GLY A 34 -17.237 24.927 -2.647 1.00 0.00 N ATOM 443 CA GLY A 34 -17.741 26.103 -3.334 1.00 0.00 C ATOM 444 C GLY A 34 -17.599 26.071 -4.857 1.00 0.00 C ATOM 445 O GLY A 34 -18.539 26.457 -5.549 1.00 0.00 O ATOM 0 H GLY A 34 -16.437 25.128 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.795 26.227 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.218 26.980 -2.953 1.00 0.00 H new ATOM 449 N SER A 35 -16.448 25.610 -5.376 1.00 0.00 N ATOM 450 CA SER A 35 -16.160 25.556 -6.809 1.00 0.00 C ATOM 451 C SER A 35 -16.213 26.995 -7.324 1.00 0.00 C ATOM 452 O SER A 35 -17.170 27.398 -7.983 1.00 0.00 O ATOM 453 CB SER A 35 -17.092 24.587 -7.553 1.00 0.00 C ATOM 454 OG SER A 35 -17.006 23.296 -6.985 1.00 0.00 O ATOM 0 H SER A 35 -15.684 25.260 -4.798 1.00 0.00 H new ATOM 0 HA SER A 35 -15.168 25.145 -6.997 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.119 24.947 -7.502 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.820 24.547 -8.608 1.00 0.00 H new ATOM 0 HG SER A 35 -17.605 22.687 -7.465 1.00 0.00 H new ATOM 460 N SER A 36 -15.153 27.751 -7.018 1.00 0.00 N ATOM 461 CA SER A 36 -14.971 29.162 -7.312 1.00 0.00 C ATOM 462 C SER A 36 -13.650 29.499 -6.631 1.00 0.00 C ATOM 463 O SER A 36 -12.796 30.175 -7.198 1.00 0.00 O ATOM 464 CB SER A 36 -16.124 30.004 -6.738 1.00 0.00 C ATOM 465 OG SER A 36 -16.431 29.643 -5.406 1.00 0.00 O ATOM 0 H SER A 36 -14.350 27.360 -6.525 1.00 0.00 H new ATOM 0 HA SER A 36 -14.963 29.374 -8.381 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.855 31.060 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A 36 -17.010 29.879 -7.361 1.00 0.00 H new ATOM 0 HG SER A 36 -17.166 30.201 -5.077 1.00 0.00 H new ATOM 471 N THR A 37 -13.518 28.989 -5.397 1.00 0.00 N ATOM 472 CA THR A 37 -12.378 29.112 -4.531 1.00 0.00 C ATOM 473 C THR A 37 -11.748 27.735 -4.275 1.00 0.00 C ATOM 474 O THR A 37 -11.522 27.396 -3.115 1.00 0.00 O ATOM 475 CB THR A 37 -12.785 29.843 -3.240 1.00 0.00 C ATOM 476 OG1 THR A 37 -13.821 29.142 -2.584 1.00 0.00 O ATOM 477 CG2 THR A 37 -13.244 31.276 -3.537 1.00 0.00 C ATOM 0 H THR A 37 -14.266 28.446 -4.966 1.00 0.00 H new ATOM 0 HA THR A 37 -11.607 29.715 -5.011 1.00 0.00 H new ATOM 0 HB THR A 37 -11.909 29.885 -2.592 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.494 28.262 -2.303 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.525 31.768 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.431 31.828 -4.008 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.102 31.251 -4.208 1.00 0.00 H new ATOM 485 N TYR A 38 -11.454 26.960 -5.347 1.00 0.00 N ATOM 486 CA TYR A 38 -10.784 25.647 -5.312 1.00 0.00 C ATOM 487 C TYR A 38 -11.651 24.609 -4.562 1.00 0.00 C ATOM 488 O TYR A 38 -12.153 24.889 -3.475 1.00 0.00 O ATOM 489 CB TYR A 38 -9.341 25.874 -4.774 1.00 0.00 C ATOM 490 CG TYR A 38 -8.644 27.001 -5.546 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.930 28.348 -5.255 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.726 26.729 -6.575 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.348 29.387 -5.975 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.122 27.771 -7.298 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.441 29.107 -7.008 1.00 0.00 C ATOM 496 OH TYR A 38 -6.870 30.124 -7.713 1.00 0.00 O ATOM 0 H TYR A 38 -11.689 27.249 -6.297 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.676 25.200 -6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.378 26.122 -3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.765 24.953 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.617 28.581 -4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.482 25.704 -6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.595 30.411 -5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.411 27.544 -8.078 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.789 30.914 -7.139 1.00 0.00 H new ATOM 506 N PRO A 39 -11.851 23.388 -5.089 1.00 0.00 N ATOM 507 CA PRO A 39 -11.286 22.835 -6.305 1.00 0.00 C ATOM 508 C PRO A 39 -12.001 23.417 -7.523 1.00 0.00 C ATOM 509 O PRO A 39 -13.104 23.944 -7.415 1.00 0.00 O ATOM 510 CB PRO A 39 -11.481 21.324 -6.186 1.00 0.00 C ATOM 511 CG PRO A 39 -12.799 21.232 -5.418 1.00 0.00 C ATOM 512 CD PRO A 39 -12.698 22.401 -4.447 1.00 0.00 C ATOM 0 HA PRO A 39 -10.231 23.078 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.543 20.843 -7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.661 20.848 -5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.661 21.327 -6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.900 20.280 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.683 22.814 -4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.272 22.082 -3.496 1.00 0.00 H new ATOM 520 N HIS A 40 -11.354 23.301 -8.681 1.00 0.00 N ATOM 521 CA HIS A 40 -11.823 23.821 -9.954 1.00 0.00 C ATOM 522 C HIS A 40 -11.489 22.841 -11.069 1.00 0.00 C ATOM 523 O HIS A 40 -10.471 22.159 -10.991 1.00 0.00 O ATOM 524 CB HIS A 40 -11.045 25.123 -10.244 1.00 0.00 C ATOM 525 CG HIS A 40 -11.849 26.390 -10.205 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.601 27.432 -11.086 1.00 0.00 N ATOM 527 CD2 HIS A 40 -12.883 26.821 -9.412 1.00 0.00 C ATOM 528 CE1 HIS A 40 -12.465 28.416 -10.796 1.00 0.00 C ATOM 529 NE2 HIS A 40 -13.281 28.098 -9.792 1.00 0.00 N ATOM 0 H HIS A 40 -10.456 22.824 -8.756 1.00 0.00 H new ATOM 0 HA HIS A 40 -12.900 23.984 -9.908 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.234 25.208 -9.520 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.586 25.037 -11.229 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -10.892 27.447 -11.819 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.324 26.250 -8.608 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.496 29.361 -11.318 1.00 0.00 H new ATOM 537 N THR A 41 -12.336 22.758 -12.102 1.00 0.00 N ATOM 538 CA THR A 41 -12.033 21.885 -13.222 1.00 0.00 C ATOM 539 C THR A 41 -10.962 22.659 -13.998 1.00 0.00 C ATOM 540 O THR A 41 -11.119 23.854 -14.252 1.00 0.00 O ATOM 541 CB THR A 41 -13.278 21.507 -14.038 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.058 20.251 -14.649 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.601 22.522 -15.130 1.00 0.00 C ATOM 0 H THR A 41 -13.213 23.274 -12.179 1.00 0.00 H new ATOM 0 HA THR A 41 -11.668 20.904 -12.918 1.00 0.00 H new ATOM 0 HB THR A 41 -14.122 21.481 -13.348 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.848 19.999 -15.172 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.490 22.202 -15.673 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.783 23.497 -14.678 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.761 22.594 -15.820 1.00 0.00 H new ATOM 551 N TYR A 42 -9.874 21.982 -14.362 1.00 0.00 N ATOM 552 CA TYR A 42 -8.754 22.580 -15.066 1.00 0.00 C ATOM 553 C TYR A 42 -8.929 22.338 -16.560 1.00 0.00 C ATOM 554 O TYR A 42 -8.746 21.222 -17.041 1.00 0.00 O ATOM 555 CB TYR A 42 -7.435 22.032 -14.499 1.00 0.00 C ATOM 556 CG TYR A 42 -6.224 22.889 -14.817 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.006 24.080 -14.100 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.320 22.506 -15.826 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.895 24.889 -14.393 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.205 23.311 -16.115 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.993 24.505 -15.400 1.00 0.00 C ATOM 562 OH TYR A 42 -2.918 25.296 -15.686 1.00 0.00 O ATOM 0 H TYR A 42 -9.750 20.988 -14.171 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.721 23.659 -14.919 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.527 21.939 -13.417 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.271 21.029 -14.893 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.695 24.373 -13.322 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.484 21.593 -16.379 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.734 25.805 -13.845 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.510 23.013 -16.886 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.393 24.887 -16.406 1.00 0.00 H new ATOM 572 N ASN A 43 -9.298 23.396 -17.288 1.00 0.00 N ATOM 573 CA ASN A 43 -9.532 23.369 -18.722 1.00 0.00 C ATOM 574 C ASN A 43 -9.498 24.802 -19.253 1.00 0.00 C ATOM 575 O ASN A 43 -8.695 25.117 -20.131 1.00 0.00 O ATOM 576 CB ASN A 43 -10.883 22.700 -19.016 1.00 0.00 C ATOM 577 CG ASN A 43 -11.231 22.762 -20.502 1.00 0.00 C ATOM 578 OD1 ASN A 43 -12.106 23.525 -20.906 1.00 0.00 O ATOM 579 ND2 ASN A 43 -10.542 21.959 -21.318 1.00 0.00 N ATOM 0 H ASN A 43 -9.444 24.318 -16.877 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.756 22.789 -19.221 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.852 21.660 -18.692 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.666 23.191 -18.438 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.734 21.964 -22.320 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.824 21.341 -20.939 1.00 0.00 H new ATOM 586 N ASN A 44 -10.375 25.657 -18.710 1.00 0.00 N ATOM 587 CA ASN A 44 -10.507 27.056 -19.089 1.00 0.00 C ATOM 588 C ASN A 44 -9.434 27.884 -18.379 1.00 0.00 C ATOM 589 O ASN A 44 -9.727 28.658 -17.470 1.00 0.00 O ATOM 590 CB ASN A 44 -11.930 27.542 -18.780 1.00 0.00 C ATOM 591 CG ASN A 44 -12.963 26.783 -19.612 1.00 0.00 C ATOM 592 OD1 ASN A 44 -13.267 27.178 -20.736 1.00 0.00 O ATOM 593 ND2 ASN A 44 -13.504 25.691 -19.065 1.00 0.00 N ATOM 0 H ASN A 44 -11.026 25.380 -17.976 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.351 27.176 -20.161 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.142 27.406 -17.719 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -12.006 28.610 -18.986 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -14.197 25.151 -19.583 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.224 25.397 -18.129 1.00 0.00 H new ATOM 600 N TYR A 45 -8.182 27.696 -18.808 1.00 0.00 N ATOM 601 CA TYR A 45 -7.013 28.387 -18.292 1.00 0.00 C ATOM 602 C TYR A 45 -5.938 28.323 -19.375 1.00 0.00 C ATOM 603 O TYR A 45 -5.661 29.330 -20.024 1.00 0.00 O ATOM 604 CB TYR A 45 -6.569 27.790 -16.942 1.00 0.00 C ATOM 605 CG TYR A 45 -6.484 28.821 -15.835 1.00 0.00 C ATOM 606 CD1 TYR A 45 -5.393 29.709 -15.787 1.00 0.00 C ATOM 607 CD2 TYR A 45 -7.495 28.903 -14.859 1.00 0.00 C ATOM 608 CE1 TYR A 45 -5.315 30.676 -14.769 1.00 0.00 C ATOM 609 CE2 TYR A 45 -7.417 29.870 -13.842 1.00 0.00 C ATOM 610 CZ TYR A 45 -6.329 30.760 -13.798 1.00 0.00 C ATOM 611 OH TYR A 45 -6.254 31.706 -12.817 1.00 0.00 O ATOM 0 H TYR A 45 -7.955 27.034 -19.550 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.229 29.433 -18.074 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.270 27.008 -16.649 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.595 27.316 -17.064 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.615 29.648 -16.533 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.332 28.222 -14.892 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.476 31.355 -14.733 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.193 29.930 -13.094 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.034 31.629 -12.228 1.00 0.00 H new ATOM 621 N GLU A 46 -5.347 27.136 -19.570 1.00 0.00 N ATOM 622 CA GLU A 46 -4.317 26.882 -20.566 1.00 0.00 C ATOM 623 C GLU A 46 -3.954 25.398 -20.549 1.00 0.00 C ATOM 624 O GLU A 46 -4.005 24.757 -19.499 1.00 0.00 O ATOM 625 CB GLU A 46 -3.065 27.744 -20.309 1.00 0.00 C ATOM 626 CG GLU A 46 -2.579 28.394 -21.608 1.00 0.00 C ATOM 627 CD GLU A 46 -1.359 29.279 -21.361 1.00 0.00 C ATOM 628 OE1 GLU A 46 -1.563 30.393 -20.830 1.00 0.00 O ATOM 629 OE2 GLU A 46 -0.244 28.827 -21.702 1.00 0.00 O ATOM 0 H GLU A 46 -5.584 26.310 -19.021 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.706 27.152 -21.548 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.293 28.516 -19.574 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.272 27.126 -19.887 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.329 27.620 -22.333 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.382 28.990 -22.042 1.00 0.00 H new ATOM 636 N GLY A 47 -3.586 24.856 -21.717 1.00 0.00 N ATOM 637 CA GLY A 47 -3.190 23.464 -21.859 1.00 0.00 C ATOM 638 C GLY A 47 -1.842 23.243 -21.175 1.00 0.00 C ATOM 639 O GLY A 47 -1.030 24.167 -21.090 1.00 0.00 O ATOM 0 H GLY A 47 -3.557 25.381 -22.591 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.945 22.814 -21.417 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.121 23.201 -22.914 1.00 0.00 H new ATOM 643 N PHE A 48 -1.605 22.023 -20.680 1.00 0.00 N ATOM 644 CA PHE A 48 -0.373 21.671 -19.988 1.00 0.00 C ATOM 645 C PHE A 48 -0.039 20.197 -20.211 1.00 0.00 C ATOM 646 O PHE A 48 -0.855 19.450 -20.752 1.00 0.00 O ATOM 647 CB PHE A 48 -0.500 22.023 -18.495 1.00 0.00 C ATOM 648 CG PHE A 48 0.732 22.701 -17.932 1.00 0.00 C ATOM 649 CD1 PHE A 48 0.877 24.097 -18.044 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.741 21.942 -17.311 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.025 24.729 -17.536 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.890 22.574 -16.807 1.00 0.00 C ATOM 653 CZ PHE A 48 3.032 23.967 -16.923 1.00 0.00 C ATOM 0 H PHE A 48 -2.270 21.253 -20.752 1.00 0.00 H new ATOM 0 HA PHE A 48 0.457 22.249 -20.396 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.361 22.676 -18.355 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.695 21.112 -17.929 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.105 24.683 -18.521 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.632 20.871 -17.222 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.132 25.801 -17.617 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.663 21.990 -16.331 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.917 24.452 -16.540 1.00 0.00 H new ATOM 663 N ASP A 49 1.167 19.777 -19.797 1.00 0.00 N ATOM 664 CA ASP A 49 1.633 18.406 -19.953 1.00 0.00 C ATOM 665 C ASP A 49 0.901 17.449 -19.005 1.00 0.00 C ATOM 666 O ASP A 49 -0.150 17.783 -18.460 1.00 0.00 O ATOM 667 CB ASP A 49 3.170 18.346 -19.907 1.00 0.00 C ATOM 668 CG ASP A 49 3.756 18.413 -18.501 1.00 0.00 C ATOM 669 OD1 ASP A 49 3.783 19.529 -17.938 1.00 0.00 O ATOM 670 OD2 ASP A 49 4.177 17.339 -18.020 1.00 0.00 O ATOM 0 H ASP A 49 1.844 20.390 -19.343 1.00 0.00 H new ATOM 0 HA ASP A 49 1.368 18.041 -20.945 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.501 17.423 -20.383 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.572 19.170 -20.496 1.00 0.00 H new ATOM 675 N PHE A 50 1.465 16.253 -18.824 1.00 0.00 N ATOM 676 CA PHE A 50 0.934 15.175 -18.004 1.00 0.00 C ATOM 677 C PHE A 50 -0.507 14.829 -18.411 1.00 0.00 C ATOM 678 O PHE A 50 -1.416 14.907 -17.588 1.00 0.00 O ATOM 679 CB PHE A 50 1.169 15.414 -16.496 1.00 0.00 C ATOM 680 CG PHE A 50 0.704 16.723 -15.864 1.00 0.00 C ATOM 681 CD1 PHE A 50 -0.617 16.878 -15.401 1.00 0.00 C ATOM 682 CD2 PHE A 50 1.606 17.795 -15.722 1.00 0.00 C ATOM 683 CE1 PHE A 50 -1.035 18.091 -14.826 1.00 0.00 C ATOM 684 CE2 PHE A 50 1.197 19.003 -15.133 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.130 19.156 -14.693 1.00 0.00 C ATOM 0 H PHE A 50 2.348 16.003 -19.270 1.00 0.00 H new ATOM 0 HA PHE A 50 1.503 14.267 -18.204 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.685 14.600 -15.956 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.240 15.325 -16.314 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.315 16.058 -15.488 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.623 17.687 -16.070 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.054 18.204 -14.486 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.901 19.814 -15.018 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.452 20.089 -14.255 1.00 0.00 H new ATOM 695 N PRO A 51 -0.739 14.441 -19.681 1.00 0.00 N ATOM 696 CA PRO A 51 -2.055 14.097 -20.200 1.00 0.00 C ATOM 697 C PRO A 51 -2.442 12.676 -19.778 1.00 0.00 C ATOM 698 O PRO A 51 -2.557 11.779 -20.613 1.00 0.00 O ATOM 699 CB PRO A 51 -1.911 14.234 -21.720 1.00 0.00 C ATOM 700 CG PRO A 51 -0.480 13.749 -21.951 1.00 0.00 C ATOM 701 CD PRO A 51 0.257 14.318 -20.739 1.00 0.00 C ATOM 0 HA PRO A 51 -2.849 14.738 -19.817 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.639 13.625 -22.255 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.051 15.263 -22.052 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.421 12.661 -21.989 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.070 14.124 -22.889 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.071 13.660 -20.434 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.700 15.286 -20.972 1.00 0.00 H new ATOM 709 N VAL A 52 -2.649 12.470 -18.472 1.00 0.00 N ATOM 710 CA VAL A 52 -3.039 11.188 -17.910 1.00 0.00 C ATOM 711 C VAL A 52 -4.465 10.882 -18.372 1.00 0.00 C ATOM 712 O VAL A 52 -4.685 9.932 -19.120 1.00 0.00 O ATOM 713 CB VAL A 52 -2.897 11.232 -16.378 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.473 9.968 -15.726 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.429 11.400 -15.963 1.00 0.00 C ATOM 0 H VAL A 52 -2.547 13.205 -17.772 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.392 10.383 -18.257 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.465 12.095 -16.030 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.357 10.031 -14.644 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.531 9.881 -15.973 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.941 9.092 -16.097 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.359 11.428 -14.876 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.845 10.561 -16.343 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.038 12.330 -16.376 1.00 0.00 H new ATOM 725 N ASP A 53 -5.423 11.702 -17.923 1.00 0.00 N ATOM 726 CA ASP A 53 -6.835 11.596 -18.253 1.00 0.00 C ATOM 727 C ASP A 53 -7.520 12.900 -17.827 1.00 0.00 C ATOM 728 O ASP A 53 -6.840 13.894 -17.569 1.00 0.00 O ATOM 729 CB ASP A 53 -7.453 10.360 -17.570 1.00 0.00 C ATOM 730 CG ASP A 53 -8.610 9.787 -18.385 1.00 0.00 C ATOM 731 OD1 ASP A 53 -8.312 9.095 -19.382 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.771 10.054 -18.003 1.00 0.00 O ATOM 0 H ASP A 53 -5.221 12.483 -17.298 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.975 11.459 -19.325 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.687 9.596 -17.437 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.807 10.632 -16.576 1.00 0.00 H new ATOM 737 N GLY A 54 -8.856 12.918 -17.752 1.00 0.00 N ATOM 738 CA GLY A 54 -9.577 14.108 -17.338 1.00 0.00 C ATOM 739 C GLY A 54 -11.094 13.966 -17.485 1.00 0.00 C ATOM 740 O GLY A 54 -11.579 12.887 -17.822 1.00 0.00 O ATOM 0 H GLY A 54 -9.451 12.120 -17.974 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.337 14.329 -16.298 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.237 14.957 -17.931 1.00 0.00 H new ATOM 744 N PRO A 55 -11.849 15.050 -17.228 1.00 0.00 N ATOM 745 CA PRO A 55 -11.358 16.359 -16.813 1.00 0.00 C ATOM 746 C PRO A 55 -10.654 16.313 -15.457 1.00 0.00 C ATOM 747 O PRO A 55 -11.207 15.791 -14.493 1.00 0.00 O ATOM 748 CB PRO A 55 -12.589 17.268 -16.726 1.00 0.00 C ATOM 749 CG PRO A 55 -13.642 16.549 -17.568 1.00 0.00 C ATOM 750 CD PRO A 55 -13.296 15.079 -17.342 1.00 0.00 C ATOM 0 HA PRO A 55 -10.621 16.722 -17.529 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.920 17.393 -15.695 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.378 18.264 -17.116 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.654 16.783 -17.239 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.577 16.824 -18.621 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.771 14.695 -16.439 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.640 14.460 -18.171 1.00 0.00 H new ATOM 758 N TYR A 56 -9.432 16.854 -15.394 1.00 0.00 N ATOM 759 CA TYR A 56 -8.625 16.910 -14.183 1.00 0.00 C ATOM 760 C TYR A 56 -9.000 18.134 -13.344 1.00 0.00 C ATOM 761 O TYR A 56 -9.433 19.149 -13.885 1.00 0.00 O ATOM 762 CB TYR A 56 -7.118 16.793 -14.490 1.00 0.00 C ATOM 763 CG TYR A 56 -6.533 17.336 -15.787 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.996 18.530 -16.370 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.485 16.625 -16.408 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.420 19.005 -17.564 1.00 0.00 C ATOM 767 CE2 TYR A 56 -4.908 17.099 -17.599 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.372 18.294 -18.173 1.00 0.00 C ATOM 769 OH TYR A 56 -4.810 18.767 -19.324 1.00 0.00 O ATOM 0 H TYR A 56 -8.973 17.272 -16.203 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.851 16.038 -13.569 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.588 17.282 -13.673 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.865 15.734 -14.446 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.795 19.084 -15.900 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.123 15.709 -15.965 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.784 19.917 -18.012 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.110 16.546 -18.071 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.098 18.159 -19.615 1.00 0.00 H new ATOM 779 N GLN A 57 -8.838 18.024 -12.017 1.00 0.00 N ATOM 780 CA GLN A 57 -9.157 19.054 -11.036 1.00 0.00 C ATOM 781 C GLN A 57 -7.920 19.778 -10.515 1.00 0.00 C ATOM 782 O GLN A 57 -6.804 19.286 -10.654 1.00 0.00 O ATOM 783 CB GLN A 57 -9.911 18.431 -9.863 1.00 0.00 C ATOM 784 CG GLN A 57 -9.100 17.334 -9.164 1.00 0.00 C ATOM 785 CD GLN A 57 -9.602 17.048 -7.753 1.00 0.00 C ATOM 786 OE1 GLN A 57 -9.982 15.921 -7.446 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.586 18.066 -6.890 1.00 0.00 N ATOM 0 H GLN A 57 -8.465 17.177 -11.588 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.777 19.794 -11.541 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.162 19.209 -9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.852 18.012 -10.221 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.146 16.419 -9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.053 17.633 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.262 18.985 -7.191 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.898 17.925 -5.929 1.00 0.00 H new ATOM 796 N GLU A 58 -8.143 20.945 -9.900 1.00 0.00 N ATOM 797 CA GLU A 58 -7.175 21.837 -9.342 1.00 0.00 C ATOM 798 C GLU A 58 -7.113 21.677 -7.817 1.00 0.00 C ATOM 799 O GLU A 58 -8.102 21.298 -7.188 1.00 0.00 O ATOM 800 CB GLU A 58 -7.761 23.201 -9.749 1.00 0.00 C ATOM 801 CG GLU A 58 -7.248 24.357 -8.951 1.00 0.00 C ATOM 802 CD GLU A 58 -5.755 24.574 -9.122 1.00 0.00 C ATOM 803 OE1 GLU A 58 -5.307 24.413 -10.276 1.00 0.00 O ATOM 804 OE2 GLU A 58 -5.099 24.899 -8.108 1.00 0.00 O ATOM 0 H GLU A 58 -9.092 21.300 -9.781 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.152 21.678 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.542 23.377 -10.802 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.846 23.160 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.778 25.262 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.468 24.191 -7.896 1.00 0.00 H new ATOM 811 N PHE A 59 -5.940 21.963 -7.232 1.00 0.00 N ATOM 812 CA PHE A 59 -5.701 21.921 -5.797 1.00 0.00 C ATOM 813 C PHE A 59 -4.460 22.760 -5.487 1.00 0.00 C ATOM 814 O PHE A 59 -3.353 22.323 -5.779 1.00 0.00 O ATOM 815 CB PHE A 59 -5.529 20.498 -5.273 1.00 0.00 C ATOM 816 CG PHE A 59 -5.610 20.523 -3.764 1.00 0.00 C ATOM 817 CD1 PHE A 59 -6.871 20.402 -3.160 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.459 20.682 -2.970 1.00 0.00 C ATOM 819 CE1 PHE A 59 -6.989 20.436 -1.765 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.577 20.722 -1.572 1.00 0.00 C ATOM 821 CZ PHE A 59 -5.843 20.602 -0.975 1.00 0.00 C ATOM 0 H PHE A 59 -5.115 22.236 -7.766 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.575 22.330 -5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.303 19.849 -5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.570 20.091 -5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.752 20.282 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.488 20.773 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.958 20.335 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.698 20.845 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.934 20.638 0.101 1.00 0.00 H new ATOM 831 N PRO A 60 -4.583 23.947 -4.882 1.00 0.00 N ATOM 832 CA PRO A 60 -3.437 24.788 -4.622 1.00 0.00 C ATOM 833 C PRO A 60 -2.697 24.397 -3.330 1.00 0.00 C ATOM 834 O PRO A 60 -3.333 24.196 -2.297 1.00 0.00 O ATOM 835 CB PRO A 60 -4.035 26.185 -4.649 1.00 0.00 C ATOM 836 CG PRO A 60 -5.377 25.982 -3.941 1.00 0.00 C ATOM 837 CD PRO A 60 -5.797 24.582 -4.409 1.00 0.00 C ATOM 0 HA PRO A 60 -2.633 24.693 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.406 26.906 -4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.164 26.552 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.275 26.033 -2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.105 26.740 -4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.244 24.014 -3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.543 24.641 -5.202 1.00 0.00 H new ATOM 845 N ILE A 61 -1.355 24.278 -3.388 1.00 0.00 N ATOM 846 CA ILE A 61 -0.492 23.903 -2.273 1.00 0.00 C ATOM 847 C ILE A 61 0.325 25.051 -1.742 1.00 0.00 C ATOM 848 O ILE A 61 0.385 26.162 -2.264 1.00 0.00 O ATOM 849 CB ILE A 61 0.433 22.732 -2.619 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.141 21.903 -1.519 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.364 23.042 -3.789 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.368 20.456 -1.968 1.00 0.00 C ATOM 0 H ILE A 61 -0.834 24.449 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.177 23.588 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.337 22.014 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.098 22.364 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.540 21.913 -0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.996 22.177 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.771 23.272 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.990 23.899 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.867 19.902 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.408 19.989 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.991 20.446 -2.863 1.00 0.00 H new ATOM 864 N LYS A 62 0.936 24.649 -0.648 1.00 0.00 N ATOM 865 CA LYS A 62 1.831 25.425 0.199 1.00 0.00 C ATOM 866 C LYS A 62 2.692 24.539 1.103 1.00 0.00 C ATOM 867 O LYS A 62 2.404 23.357 1.289 1.00 0.00 O ATOM 868 CB LYS A 62 1.059 26.483 0.994 1.00 0.00 C ATOM 869 CG LYS A 62 -0.082 25.887 1.822 1.00 0.00 C ATOM 870 CD LYS A 62 -0.462 26.819 2.975 1.00 0.00 C ATOM 871 CE LYS A 62 -0.881 28.212 2.489 1.00 0.00 C ATOM 872 NZ LYS A 62 -1.283 29.071 3.615 1.00 0.00 N ATOM 0 H LYS A 62 0.814 23.699 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 62 2.524 25.950 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.748 27.007 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.653 27.224 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.950 25.717 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.218 24.916 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.279 26.375 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.384 26.914 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.054 28.676 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.708 28.121 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.381 30.052 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.193 28.741 3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.559 29.027 4.361 1.00 0.00 H new ATOM 886 N SER A 63 3.753 25.134 1.670 1.00 0.00 N ATOM 887 CA SER A 63 4.681 24.482 2.585 1.00 0.00 C ATOM 888 C SER A 63 4.171 24.733 4.007 1.00 0.00 C ATOM 889 O SER A 63 4.864 25.344 4.819 1.00 0.00 O ATOM 890 CB SER A 63 6.106 25.031 2.395 1.00 0.00 C ATOM 891 OG SER A 63 6.665 24.596 1.177 1.00 0.00 O ATOM 0 H SER A 63 3.989 26.111 1.494 1.00 0.00 H new ATOM 0 HA SER A 63 4.730 23.411 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.084 26.121 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.736 24.707 3.223 1.00 0.00 H new ATOM 0 HG SER A 63 6.104 23.890 0.793 1.00 0.00 H new ATOM 897 N GLY A 64 2.950 24.270 4.305 1.00 0.00 N ATOM 898 CA GLY A 64 2.345 24.456 5.613 1.00 0.00 C ATOM 899 C GLY A 64 1.106 23.584 5.787 1.00 0.00 C ATOM 900 O GLY A 64 1.091 22.714 6.655 1.00 0.00 O ATOM 0 H GLY A 64 2.364 23.760 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.072 24.215 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.075 25.504 5.744 1.00 0.00 H new ATOM 904 N GLY A 65 0.076 23.818 4.961 1.00 0.00 N ATOM 905 CA GLY A 65 -1.185 23.092 5.018 1.00 0.00 C ATOM 906 C GLY A 65 -1.639 22.530 3.670 1.00 0.00 C ATOM 907 O GLY A 65 -0.913 22.565 2.679 1.00 0.00 O ATOM 0 H GLY A 65 0.103 24.527 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.088 22.271 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.959 23.757 5.402 1.00 0.00 H new ATOM 911 N VAL A 66 -2.871 22.006 3.686 1.00 0.00 N ATOM 912 CA VAL A 66 -3.593 21.383 2.584 1.00 0.00 C ATOM 913 C VAL A 66 -4.913 22.154 2.465 1.00 0.00 C ATOM 914 O VAL A 66 -5.809 21.957 3.284 1.00 0.00 O ATOM 915 CB VAL A 66 -3.769 19.884 2.921 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.781 19.148 2.034 1.00 0.00 C ATOM 917 CG2 VAL A 66 -2.413 19.168 2.832 1.00 0.00 C ATOM 0 H VAL A 66 -3.428 22.010 4.541 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.079 21.425 1.623 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.169 19.856 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.841 18.104 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.761 19.613 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.461 19.203 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.543 18.112 3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.016 19.266 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.717 19.617 3.541 1.00 0.00 H new ATOM 927 N TYR A 67 -5.018 23.031 1.451 1.00 0.00 N ATOM 928 CA TYR A 67 -6.168 23.889 1.170 1.00 0.00 C ATOM 929 C TYR A 67 -6.443 24.833 2.342 1.00 0.00 C ATOM 930 O TYR A 67 -7.156 24.475 3.277 1.00 0.00 O ATOM 931 CB TYR A 67 -7.407 23.083 0.754 1.00 0.00 C ATOM 932 CG TYR A 67 -8.703 23.873 0.733 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.912 24.862 -0.246 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.695 23.629 1.702 1.00 0.00 C ATOM 935 CE1 TYR A 67 -10.109 25.600 -0.258 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.889 24.370 1.691 1.00 0.00 C ATOM 937 CZ TYR A 67 -11.099 25.351 0.707 1.00 0.00 C ATOM 938 OH TYR A 67 -12.263 26.062 0.687 1.00 0.00 O ATOM 0 H TYR A 67 -4.264 23.162 0.777 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.917 24.509 0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.236 22.667 -0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.522 22.242 1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.152 25.054 -0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.538 22.871 2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.267 26.359 -1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.646 24.185 2.439 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.840 25.766 1.422 1.00 0.00 H new ATOM 948 N THR A 68 -5.866 26.040 2.281 1.00 0.00 N ATOM 949 CA THR A 68 -6.029 27.069 3.298 1.00 0.00 C ATOM 950 C THR A 68 -6.100 28.457 2.646 1.00 0.00 C ATOM 951 O THR A 68 -5.534 29.415 3.170 1.00 0.00 O ATOM 952 CB THR A 68 -4.892 26.982 4.333 1.00 0.00 C ATOM 953 OG1 THR A 68 -3.661 27.245 3.703 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.805 25.622 5.036 1.00 0.00 C ATOM 0 H THR A 68 -5.265 26.327 1.509 1.00 0.00 H new ATOM 0 HA THR A 68 -6.969 26.904 3.825 1.00 0.00 H new ATOM 0 HB THR A 68 -5.115 27.726 5.098 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.431 26.499 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.982 25.634 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.739 25.424 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.632 24.840 4.296 1.00 0.00 H new ATOM 962 N GLY A 69 -6.791 28.565 1.501 1.00 0.00 N ATOM 963 CA GLY A 69 -6.966 29.812 0.771 1.00 0.00 C ATOM 964 C GLY A 69 -5.672 30.277 0.100 1.00 0.00 C ATOM 965 O GLY A 69 -4.829 30.895 0.748 1.00 0.00 O ATOM 0 H GLY A 69 -7.248 27.769 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.739 29.682 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.316 30.585 1.455 1.00 0.00 H new ATOM 969 N GLY A 70 -5.526 29.992 -1.202 1.00 0.00 N ATOM 970 CA GLY A 70 -4.364 30.380 -1.989 1.00 0.00 C ATOM 971 C GLY A 70 -4.422 31.859 -2.385 1.00 0.00 C ATOM 972 O GLY A 70 -5.360 32.566 -2.019 1.00 0.00 O ATOM 0 H GLY A 70 -6.225 29.478 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.456 30.191 -1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.309 29.764 -2.886 1.00 0.00 H new ATOM 976 N SER A 71 -3.411 32.309 -3.139 1.00 0.00 N ATOM 977 CA SER A 71 -3.249 33.680 -3.617 1.00 0.00 C ATOM 978 C SER A 71 -3.081 34.646 -2.434 1.00 0.00 C ATOM 979 O SER A 71 -4.081 35.143 -1.916 1.00 0.00 O ATOM 980 CB SER A 71 -4.404 34.080 -4.548 1.00 0.00 C ATOM 981 OG SER A 71 -4.119 35.317 -5.165 1.00 0.00 O ATOM 0 H SER A 71 -2.653 31.698 -3.443 1.00 0.00 H new ATOM 0 HA SER A 71 -2.337 33.740 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.554 33.312 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.332 34.152 -3.980 1.00 0.00 H new ATOM 0 HG SER A 71 -4.859 35.565 -5.758 1.00 0.00 H new ATOM 987 N PRO A 72 -1.842 34.938 -1.990 1.00 0.00 N ATOM 988 CA PRO A 72 -0.570 34.466 -2.530 1.00 0.00 C ATOM 989 C PRO A 72 -0.428 32.944 -2.503 1.00 0.00 C ATOM 990 O PRO A 72 -0.710 32.309 -1.486 1.00 0.00 O ATOM 991 CB PRO A 72 0.516 35.134 -1.675 1.00 0.00 C ATOM 992 CG PRO A 72 -0.186 36.364 -1.105 1.00 0.00 C ATOM 993 CD PRO A 72 -1.593 35.827 -0.869 1.00 0.00 C ATOM 0 HA PRO A 72 -0.491 34.731 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.869 34.471 -0.885 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.385 35.409 -2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.280 36.712 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.178 37.201 -1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.660 35.295 0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.324 36.635 -0.834 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.001 32.358 -3.628 1.00 0.00 N ATOM 1002 CA GLY A 73 0.169 30.921 -3.746 1.00 0.00 C ATOM 1003 C GLY A 73 0.396 30.511 -5.199 1.00 0.00 C ATOM 1004 O GLY A 73 -0.489 29.910 -5.807 1.00 0.00 O ATOM 0 H GLY A 73 0.234 32.874 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.015 30.601 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.714 30.414 -3.356 1.00 0.00 H new ATOM 1008 N ALA A 74 1.576 30.826 -5.751 1.00 0.00 N ATOM 1009 CA ALA A 74 1.941 30.476 -7.123 1.00 0.00 C ATOM 1010 C ALA A 74 1.998 28.970 -7.355 1.00 0.00 C ATOM 1011 O ALA A 74 1.917 28.562 -8.510 1.00 0.00 O ATOM 1012 CB ALA A 74 3.323 31.029 -7.485 1.00 0.00 C ATOM 0 H ALA A 74 2.306 31.334 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 74 1.161 30.914 -7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.568 30.753 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.316 32.115 -7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.070 30.613 -6.809 1.00 0.00 H new ATOM 1018 N ASP A 75 2.142 28.162 -6.294 1.00 0.00 N ATOM 1019 CA ASP A 75 2.245 26.715 -6.393 1.00 0.00 C ATOM 1020 C ASP A 75 0.916 25.985 -6.214 1.00 0.00 C ATOM 1021 O ASP A 75 0.118 26.306 -5.331 1.00 0.00 O ATOM 1022 CB ASP A 75 3.299 26.168 -5.422 1.00 0.00 C ATOM 1023 CG ASP A 75 4.376 27.174 -4.999 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.070 27.984 -4.097 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.486 27.116 -5.572 1.00 0.00 O ATOM 0 H ASP A 75 2.190 28.508 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 75 2.563 26.514 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.793 25.803 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.787 25.310 -5.885 1.00 0.00 H new ATOM 1030 N ARG A 76 0.704 24.979 -7.068 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.500 24.175 -7.078 1.00 0.00 C ATOM 1032 C ARG A 76 -0.262 22.819 -7.735 1.00 0.00 C ATOM 1033 O ARG A 76 0.549 22.689 -8.650 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.629 24.935 -7.789 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.199 25.380 -9.187 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.357 25.865 -10.049 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.013 27.052 -9.489 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.934 27.779 -10.142 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.381 27.403 -11.349 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.409 28.901 -9.586 1.00 0.00 N ATOM 0 H ARG A 76 1.381 24.704 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.794 23.987 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.510 24.298 -7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.913 25.806 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.464 26.179 -9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.705 24.548 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.990 26.094 -11.050 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.089 25.064 -10.153 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.754 27.343 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.021 26.554 -11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.081 27.966 -11.832 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.071 29.199 -8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.109 29.457 -10.078 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.981 21.811 -7.235 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.958 20.455 -7.742 1.00 0.00 C ATOM 1056 C VAL A 77 -2.319 20.262 -8.393 1.00 0.00 C ATOM 1057 O VAL A 77 -3.329 20.800 -7.942 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.593 19.399 -6.693 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.781 19.721 -6.093 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.622 19.246 -5.569 1.00 0.00 C ATOM 0 H VAL A 77 -1.611 21.929 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.156 20.311 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.576 18.445 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.038 18.968 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.532 19.720 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.751 20.703 -5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.287 18.479 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.730 20.194 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.583 18.955 -5.993 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.342 19.485 -9.467 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.543 19.239 -10.243 1.00 0.00 C ATOM 1072 C VAL A 78 -3.661 17.718 -10.348 1.00 0.00 C ATOM 1073 O VAL A 78 -2.745 17.067 -10.849 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.376 20.056 -11.542 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.504 19.859 -12.558 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.264 21.562 -11.183 1.00 0.00 C ATOM 0 H VAL A 78 -1.517 19.004 -9.825 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.495 19.567 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.469 19.689 -12.022 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.309 20.468 -13.441 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.555 18.809 -12.846 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.452 20.159 -12.112 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.146 22.146 -12.096 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.168 21.880 -10.663 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.400 21.719 -10.537 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.785 17.165 -9.859 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.070 15.729 -9.817 1.00 0.00 C ATOM 1088 C ILE A 79 -6.137 15.314 -10.836 1.00 0.00 C ATOM 1089 O ILE A 79 -6.748 16.165 -11.476 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.387 15.280 -8.365 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.867 15.219 -7.947 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.691 16.162 -7.321 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.125 14.031 -7.016 1.00 0.00 C ATOM 0 H ILE A 79 -5.542 17.728 -9.471 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.172 15.194 -10.125 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.010 14.257 -8.386 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.146 16.146 -7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.496 15.135 -8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.943 15.809 -6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.611 16.111 -7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.024 17.194 -7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.178 14.011 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.868 13.104 -7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.513 14.131 -6.120 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.365 14.000 -10.972 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.345 13.404 -11.875 1.00 0.00 C ATOM 1107 C ASN A 80 -8.667 13.228 -11.138 1.00 0.00 C ATOM 1108 O ASN A 80 -8.691 13.240 -9.909 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.842 12.044 -12.373 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.580 12.187 -13.215 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.478 11.905 -12.753 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.749 12.627 -14.462 1.00 0.00 N ATOM 0 H ASN A 80 -5.850 13.303 -10.434 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.491 14.060 -12.733 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.640 11.396 -11.520 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.621 11.561 -12.963 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.943 12.742 -15.076 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.685 12.849 -14.802 1.00 0.00 H new ATOM 1119 N THR A 81 -9.766 13.051 -11.886 1.00 0.00 N ATOM 1120 CA THR A 81 -11.096 12.890 -11.315 1.00 0.00 C ATOM 1121 C THR A 81 -11.429 11.507 -10.767 1.00 0.00 C ATOM 1122 O THR A 81 -12.429 10.882 -11.116 1.00 0.00 O ATOM 1123 CB THR A 81 -12.167 13.530 -12.201 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.423 13.522 -11.554 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.272 12.835 -13.553 1.00 0.00 C ATOM 0 H THR A 81 -9.749 13.017 -12.905 1.00 0.00 H new ATOM 0 HA THR A 81 -11.088 13.464 -10.388 1.00 0.00 H new ATOM 0 HB THR A 81 -11.864 14.562 -12.377 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.296 13.371 -10.594 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.043 13.319 -14.152 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.315 12.901 -14.071 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.533 11.787 -13.404 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.551 11.057 -9.878 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.628 9.821 -9.153 1.00 0.00 C ATOM 1135 C ASN A 82 -9.869 10.155 -7.878 1.00 0.00 C ATOM 1136 O ASN A 82 -10.464 10.599 -6.899 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.036 8.648 -9.953 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.036 8.095 -10.967 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.043 7.507 -10.583 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.763 8.269 -12.263 1.00 0.00 N ATOM 0 H ASN A 82 -9.716 11.591 -9.638 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.642 9.477 -8.951 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.136 8.979 -10.472 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.736 7.855 -9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.402 7.908 -12.972 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.916 8.763 -12.544 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.552 9.947 -7.918 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.648 10.187 -6.798 1.00 0.00 C ATOM 1149 C CYS A 83 -6.163 10.269 -7.177 1.00 0.00 C ATOM 1150 O CYS A 83 -5.332 10.381 -6.277 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.870 9.106 -5.721 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.858 9.663 -3.994 1.00 0.00 S ATOM 0 H CYS A 83 -8.076 9.599 -8.750 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.897 11.176 -6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.827 8.623 -5.916 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.099 8.345 -5.839 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.810 10.233 -8.470 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.415 10.209 -8.907 1.00 0.00 C ATOM 1159 C GLU A 84 -3.764 11.562 -9.174 1.00 0.00 C ATOM 1160 O GLU A 84 -4.316 12.380 -9.901 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.315 9.331 -10.165 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.765 7.889 -9.884 1.00 0.00 C ATOM 1163 CD GLU A 84 -4.837 7.057 -11.161 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.762 6.831 -11.758 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -5.969 6.665 -11.521 1.00 0.00 O ATOM 0 H GLU A 84 -6.483 10.220 -9.236 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.854 9.805 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.931 9.757 -10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.287 9.328 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.071 7.422 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.743 7.901 -9.403 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.575 11.783 -8.588 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.774 12.990 -8.765 1.00 0.00 C ATOM 1174 C TYR A 85 -1.406 12.998 -10.252 1.00 0.00 C ATOM 1175 O TYR A 85 -0.843 12.021 -10.742 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.535 12.921 -7.833 1.00 0.00 C ATOM 1177 CG TYR A 85 0.677 13.781 -8.189 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.531 13.369 -9.231 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.972 14.976 -7.492 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.646 14.140 -9.594 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.089 15.747 -7.861 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.923 15.333 -8.912 1.00 0.00 C ATOM 1183 OH TYR A 85 4.005 16.085 -9.267 1.00 0.00 O ATOM 0 H TYR A 85 -2.140 11.105 -7.963 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.294 13.911 -8.501 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.857 13.196 -6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.207 11.882 -7.789 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.325 12.448 -9.757 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.340 15.296 -6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.290 13.815 -10.398 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.307 16.663 -7.333 1.00 0.00 H new ATOM 0 HH TYR A 85 4.187 15.966 -10.223 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.733 14.079 -10.973 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.447 14.185 -12.397 1.00 0.00 C ATOM 1195 C ALA A 86 -0.086 14.851 -12.591 1.00 0.00 C ATOM 1196 O ALA A 86 0.765 14.312 -13.296 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.579 14.917 -13.129 1.00 0.00 C ATOM 0 H ALA A 86 -2.201 14.897 -10.582 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.396 13.190 -12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.342 14.984 -14.191 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.511 14.368 -12.999 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.689 15.921 -12.718 1.00 0.00 H new ATOM 1203 N GLY A 87 0.122 16.013 -11.957 1.00 0.00 N ATOM 1204 CA GLY A 87 1.378 16.738 -12.042 1.00 0.00 C ATOM 1205 C GLY A 87 1.313 18.058 -11.279 1.00 0.00 C ATOM 1206 O GLY A 87 0.238 18.635 -11.111 1.00 0.00 O ATOM 0 H GLY A 87 -0.580 16.469 -11.374 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.183 16.123 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.618 16.932 -13.087 1.00 0.00 H new ATOM 1210 N ALA A 88 2.483 18.523 -10.823 1.00 0.00 N ATOM 1211 CA ALA A 88 2.646 19.765 -10.087 1.00 0.00 C ATOM 1212 C ALA A 88 3.120 20.872 -11.026 1.00 0.00 C ATOM 1213 O ALA A 88 3.936 20.632 -11.915 1.00 0.00 O ATOM 1214 CB ALA A 88 3.648 19.565 -8.947 1.00 0.00 C ATOM 0 H ALA A 88 3.362 18.025 -10.964 1.00 0.00 H new ATOM 0 HA ALA A 88 1.686 20.058 -9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.766 20.499 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.281 18.792 -8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.611 19.261 -9.358 1.00 0.00 H new ATOM 1220 N ILE A 89 2.590 22.084 -10.814 1.00 0.00 N ATOM 1221 CA ILE A 89 2.908 23.285 -11.573 1.00 0.00 C ATOM 1222 C ILE A 89 3.110 24.436 -10.580 1.00 0.00 C ATOM 1223 O ILE A 89 2.610 24.383 -9.457 1.00 0.00 O ATOM 1224 CB ILE A 89 1.828 23.564 -12.642 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.451 23.824 -12.007 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.758 22.400 -13.636 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.682 24.069 -13.012 1.00 0.00 C ATOM 0 H ILE A 89 1.903 22.254 -10.080 1.00 0.00 H new ATOM 0 HA ILE A 89 3.834 23.160 -12.135 1.00 0.00 H new ATOM 0 HB ILE A 89 2.112 24.470 -13.178 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.187 22.970 -11.383 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.527 24.689 -11.348 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.994 22.607 -14.385 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.724 22.282 -14.126 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.506 21.482 -13.104 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.614 24.243 -12.474 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.446 24.942 -13.621 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.792 23.197 -13.656 1.00 0.00 H new ATOM 1239 N THR A 90 3.851 25.477 -10.979 1.00 0.00 N ATOM 1240 CA THR A 90 4.136 26.614 -10.120 1.00 0.00 C ATOM 1241 C THR A 90 4.499 27.856 -10.942 1.00 0.00 C ATOM 1242 O THR A 90 4.866 27.716 -12.107 1.00 0.00 O ATOM 1243 CB THR A 90 5.280 26.171 -9.185 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.774 25.813 -7.941 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.408 27.181 -8.996 1.00 0.00 C ATOM 0 H THR A 90 4.266 25.547 -11.908 1.00 0.00 H new ATOM 0 HA THR A 90 3.262 26.904 -9.537 1.00 0.00 H new ATOM 0 HB THR A 90 5.731 25.319 -9.693 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.237 26.319 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.157 26.767 -8.321 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.868 27.397 -9.960 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.006 28.101 -8.572 1.00 0.00 H new ATOM 1253 N HIS A 91 4.383 29.065 -10.354 1.00 0.00 N ATOM 1254 CA HIS A 91 4.771 30.287 -11.075 1.00 0.00 C ATOM 1255 C HIS A 91 6.299 30.451 -11.048 1.00 0.00 C ATOM 1256 O HIS A 91 6.926 30.498 -12.104 1.00 0.00 O ATOM 1257 CB HIS A 91 4.165 31.634 -10.629 1.00 0.00 C ATOM 1258 CG HIS A 91 2.663 31.733 -10.568 1.00 0.00 C ATOM 1259 ND1 HIS A 91 2.011 32.901 -10.207 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.662 30.831 -10.810 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.691 32.656 -10.252 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.410 31.405 -10.619 1.00 0.00 N ATOM 0 H HIS A 91 4.033 29.217 -9.408 1.00 0.00 H new ATOM 0 HA HIS A 91 4.352 30.102 -12.064 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.558 31.869 -9.640 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.526 32.407 -11.308 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.824 29.806 -11.110 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.062 33.393 -10.016 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.506 30.972 -10.733 1.00 0.00 H new ATOM 1270 N THR A 92 6.881 30.527 -9.837 1.00 0.00 N ATOM 1271 CA THR A 92 8.294 30.721 -9.498 1.00 0.00 C ATOM 1272 C THR A 92 9.041 31.855 -10.222 1.00 0.00 C ATOM 1273 O THR A 92 10.261 31.959 -10.094 1.00 0.00 O ATOM 1274 CB THR A 92 9.050 29.392 -9.464 1.00 0.00 C ATOM 1275 OG1 THR A 92 10.262 29.524 -8.749 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.336 28.852 -10.861 1.00 0.00 C ATOM 0 H THR A 92 6.314 30.446 -8.993 1.00 0.00 H new ATOM 0 HA THR A 92 8.270 31.116 -8.482 1.00 0.00 H new ATOM 0 HB THR A 92 8.403 28.677 -8.956 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.674 30.388 -8.960 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.874 27.907 -10.783 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.396 28.691 -11.389 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.943 29.571 -11.412 1.00 0.00 H new ATOM 1284 N GLY A 93 8.325 32.707 -10.962 1.00 0.00 N ATOM 1285 CA GLY A 93 8.868 33.836 -11.698 1.00 0.00 C ATOM 1286 C GLY A 93 8.414 33.793 -13.154 1.00 0.00 C ATOM 1287 O GLY A 93 9.222 34.001 -14.059 1.00 0.00 O ATOM 0 H GLY A 93 7.314 32.620 -11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.543 34.769 -11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.957 33.819 -11.650 1.00 0.00 H new ATOM 1291 N ALA A 94 7.120 33.523 -13.373 1.00 0.00 N ATOM 1292 CA ALA A 94 6.514 33.462 -14.695 1.00 0.00 C ATOM 1293 C ALA A 94 6.090 34.875 -15.118 1.00 0.00 C ATOM 1294 O ALA A 94 6.473 35.857 -14.481 1.00 0.00 O ATOM 1295 CB ALA A 94 5.333 32.484 -14.648 1.00 0.00 C ATOM 0 H ALA A 94 6.460 33.339 -12.618 1.00 0.00 H new ATOM 0 HA ALA A 94 7.221 33.097 -15.440 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.868 32.427 -15.632 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.690 31.496 -14.358 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.600 32.833 -13.920 1.00 0.00 H new ATOM 1301 N SER A 95 5.307 34.990 -16.198 1.00 0.00 N ATOM 1302 CA SER A 95 4.816 36.270 -16.700 1.00 0.00 C ATOM 1303 C SER A 95 3.975 36.976 -15.632 1.00 0.00 C ATOM 1304 O SER A 95 4.157 38.165 -15.380 1.00 0.00 O ATOM 1305 CB SER A 95 3.994 36.054 -17.974 1.00 0.00 C ATOM 1306 OG SER A 95 4.768 35.398 -18.956 1.00 0.00 O ATOM 0 H SER A 95 4.997 34.189 -16.749 1.00 0.00 H new ATOM 0 HA SER A 95 5.670 36.904 -16.938 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.107 35.462 -17.746 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.647 37.014 -18.357 1.00 0.00 H new ATOM 0 HG SER A 95 4.228 35.266 -19.763 1.00 0.00 H new ATOM 1312 N GLY A 96 3.062 36.226 -15.006 1.00 0.00 N ATOM 1313 CA GLY A 96 2.181 36.701 -13.955 1.00 0.00 C ATOM 1314 C GLY A 96 1.417 35.490 -13.437 1.00 0.00 C ATOM 1315 O GLY A 96 1.886 34.802 -12.533 1.00 0.00 O ATOM 0 H GLY A 96 2.918 35.241 -15.230 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.753 37.168 -13.154 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.494 37.456 -14.338 1.00 0.00 H new ATOM 1319 N ASN A 97 0.243 35.234 -14.027 1.00 0.00 N ATOM 1320 CA ASN A 97 -0.610 34.103 -13.688 1.00 0.00 C ATOM 1321 C ASN A 97 -0.174 32.856 -14.470 1.00 0.00 C ATOM 1322 O ASN A 97 -0.748 31.787 -14.269 1.00 0.00 O ATOM 1323 CB ASN A 97 -2.082 34.454 -13.960 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.684 35.326 -12.856 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -3.625 34.908 -12.184 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.150 36.535 -12.658 1.00 0.00 N ATOM 0 H ASN A 97 -0.142 35.822 -14.766 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.509 33.881 -12.626 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.159 34.975 -14.914 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.662 33.535 -14.051 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.523 37.144 -11.930 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.370 36.849 -13.235 1.00 0.00 H new ATOM 1333 N ASN A 98 0.838 32.977 -15.349 1.00 0.00 N ATOM 1334 CA ASN A 98 1.375 31.884 -16.149 1.00 0.00 C ATOM 1335 C ASN A 98 1.993 30.810 -15.252 1.00 0.00 C ATOM 1336 O ASN A 98 2.198 31.028 -14.058 1.00 0.00 O ATOM 1337 CB ASN A 98 2.386 32.427 -17.169 1.00 0.00 C ATOM 1338 CG ASN A 98 1.719 33.146 -18.341 1.00 0.00 C ATOM 1339 OD1 ASN A 98 0.596 33.635 -18.228 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.416 33.207 -19.480 1.00 0.00 N ATOM 0 H ASN A 98 1.310 33.865 -15.520 1.00 0.00 H new ATOM 0 HA ASN A 98 0.562 31.413 -16.701 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.067 33.114 -16.667 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.989 31.603 -17.550 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.019 33.672 -20.297 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.345 32.789 -19.533 1.00 0.00 H new ATOM 1347 N PHE A 99 2.300 29.648 -15.842 1.00 0.00 N ATOM 1348 CA PHE A 99 2.846 28.509 -15.123 1.00 0.00 C ATOM 1349 C PHE A 99 3.961 27.763 -15.853 1.00 0.00 C ATOM 1350 O PHE A 99 4.077 27.817 -17.076 1.00 0.00 O ATOM 1351 CB PHE A 99 1.683 27.528 -14.905 1.00 0.00 C ATOM 1352 CG PHE A 99 0.913 27.824 -13.643 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.375 27.260 -12.450 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.227 28.647 -13.636 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.714 27.511 -11.245 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -0.894 28.905 -12.423 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.414 28.345 -11.225 1.00 0.00 C ATOM 0 H PHE A 99 2.172 29.479 -16.840 1.00 0.00 H new ATOM 0 HA PHE A 99 3.291 28.889 -14.203 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.007 27.573 -15.759 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.072 26.511 -14.860 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.249 26.626 -12.460 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.589 29.079 -14.557 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.071 27.063 -10.329 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.773 29.532 -12.412 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.913 28.557 -10.291 1.00 0.00 H new ATOM 1367 N VAL A 100 4.778 27.078 -15.043 1.00 0.00 N ATOM 1368 CA VAL A 100 5.891 26.225 -15.429 1.00 0.00 C ATOM 1369 C VAL A 100 5.744 24.924 -14.635 1.00 0.00 C ATOM 1370 O VAL A 100 4.989 24.859 -13.666 1.00 0.00 O ATOM 1371 CB VAL A 100 7.266 26.885 -15.233 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.483 27.983 -16.274 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.477 27.436 -13.822 1.00 0.00 C ATOM 0 H VAL A 100 4.664 27.113 -14.030 1.00 0.00 H new ATOM 0 HA VAL A 100 5.852 26.030 -16.501 1.00 0.00 H new ATOM 0 HB VAL A 100 8.009 26.099 -15.371 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.461 28.440 -16.122 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.436 27.551 -17.274 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.707 28.742 -16.170 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.466 27.888 -13.752 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.718 28.189 -13.608 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.397 26.624 -13.099 1.00 0.00 H new ATOM 1383 N GLY A 101 6.481 23.892 -15.050 1.00 0.00 N ATOM 1384 CA GLY A 101 6.434 22.572 -14.433 1.00 0.00 C ATOM 1385 C GLY A 101 7.152 22.471 -13.085 1.00 0.00 C ATOM 1386 O GLY A 101 7.966 23.325 -12.735 1.00 0.00 O ATOM 0 H GLY A 101 7.133 23.953 -15.832 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.391 22.287 -14.296 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.875 21.849 -15.119 1.00 0.00 H new ATOM 1390 N CYS A 102 6.816 21.412 -12.333 1.00 0.00 N ATOM 1391 CA CYS A 102 7.377 21.070 -11.033 1.00 0.00 C ATOM 1392 C CYS A 102 7.381 19.554 -10.879 1.00 0.00 C ATOM 1393 O CYS A 102 6.638 18.835 -11.544 1.00 0.00 O ATOM 1394 CB CYS A 102 6.665 21.787 -9.877 1.00 0.00 C ATOM 1395 SG CYS A 102 6.954 21.196 -8.187 1.00 0.00 S ATOM 0 H CYS A 102 6.109 20.742 -12.637 1.00 0.00 H new ATOM 0 HA CYS A 102 8.406 21.426 -10.986 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.948 22.839 -9.914 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.593 21.739 -10.067 1.00 0.00 H new ATOM 1400 N SER A 103 8.240 19.104 -9.966 1.00 0.00 N ATOM 1401 CA SER A 103 8.494 17.711 -9.620 1.00 0.00 C ATOM 1402 C SER A 103 9.029 16.916 -10.815 1.00 0.00 C ATOM 1403 O SER A 103 8.674 15.754 -11.013 1.00 0.00 O ATOM 1404 CB SER A 103 7.246 17.083 -8.986 1.00 0.00 C ATOM 1405 OG SER A 103 7.564 15.866 -8.344 1.00 0.00 O ATOM 0 H SER A 103 8.812 19.744 -9.415 1.00 0.00 H new ATOM 0 HA SER A 103 9.285 17.677 -8.871 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.812 17.776 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.492 16.908 -9.754 1.00 0.00 H new ATOM 0 HG SER A 103 8.031 15.277 -8.972 1.00 0.00 H new ATOM 1411 N GLY A 104 9.882 17.566 -11.613 1.00 0.00 N ATOM 1412 CA GLY A 104 10.525 17.001 -12.788 1.00 0.00 C ATOM 1413 C GLY A 104 9.515 16.556 -13.841 1.00 0.00 C ATOM 1414 O GLY A 104 9.678 15.487 -14.427 1.00 0.00 O ATOM 0 H GLY A 104 10.149 18.536 -11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.198 17.740 -13.222 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.136 16.149 -12.491 1.00 0.00 H new ATOM 1418 N THR A 105 8.487 17.381 -14.084 1.00 0.00 N ATOM 1419 CA THR A 105 7.435 17.102 -15.065 1.00 0.00 C ATOM 1420 C THR A 105 7.767 17.594 -16.479 1.00 0.00 C ATOM 1421 O THR A 105 6.890 17.867 -17.295 1.00 0.00 O ATOM 1422 CB THR A 105 6.092 17.621 -14.537 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.012 17.019 -15.218 1.00 0.00 O ATOM 1424 CG2 THR A 105 6.031 19.138 -14.678 1.00 0.00 C ATOM 0 H THR A 105 8.363 18.270 -13.599 1.00 0.00 H new ATOM 0 HA THR A 105 7.360 16.021 -15.182 1.00 0.00 H new ATOM 0 HB THR A 105 6.011 17.357 -13.483 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.071 17.227 -16.174 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.075 19.500 -14.301 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.841 19.590 -14.105 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.134 19.410 -15.728 1.00 0.00 H new ATOM 1432 N ASN A 106 9.063 17.686 -16.753 1.00 0.00 N ATOM 1433 CA ASN A 106 9.638 18.138 -18.011 1.00 0.00 C ATOM 1434 C ASN A 106 9.629 17.009 -19.044 1.00 0.00 C ATOM 1435 O ASN A 106 9.595 17.350 -20.246 1.00 0.00 O ATOM 1436 CB ASN A 106 11.054 18.676 -17.766 1.00 0.00 C ATOM 1437 CG ASN A 106 11.989 17.621 -17.173 1.00 0.00 C ATOM 1438 OD1 ASN A 106 12.009 17.421 -15.960 1.00 0.00 O ATOM 1439 ND2 ASN A 106 12.766 16.950 -18.026 1.00 0.00 N ATOM 1440 OXT ASN A 106 9.797 15.841 -18.628 1.00 0.00 O ATOM 0 H ASN A 106 9.776 17.434 -16.068 1.00 0.00 H new ATOM 0 HA ASN A 106 9.032 18.948 -18.416 1.00 0.00 H new ATOM 0 HB2 ASN A 106 11.470 19.037 -18.707 1.00 0.00 H new ATOM 0 HB3 ASN A 106 11.002 19.531 -17.092 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.409 16.239 -17.679 1.00 0.00 H new ATOM 0 HD22 ASN A 106 12.717 17.149 -19.025 1.00 0.00 H new