USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=31 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 90 THR OG1 : rot 130:sc= 0.505 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc=-0.00725 USER MOD Set 2.1: A 27 TYR OH : rot 30:sc= 0.756 USER MOD Set 2.2: A 81 THR OG1 : rot -56:sc= 1.65 USER MOD Set 3.1: A 41 THR OG1 : rot 180:sc= 0.0796 USER MOD Set 3.2: A 57 GLN : amide:sc= -0.86 K(o=-0.78,f=-3.8) USER MOD Set 4.1: A 5 THR OG1 : rot 10:sc= 0.409 USER MOD Set 4.2: A 10 ASN : amide:sc= 0.332 K(o=0.74,f=-0.17) USER MOD Single : A 1 PCA N :NH3+ -159:sc= 1.02 (180deg=0.762) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 110:sc= 0.767 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 11 TYR OH : rot 141:sc= 0.459 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= -0.124 K(o=-0.12,f=-0.95) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0547 X(o=-0.055,f=-0.47) USER MOD Single : A 26 TYR OH : rot 80:sc= 0.395 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 29 ASN : amide:sc= -0.77 K(o=-0.77,f=-0.0072) USER MOD Single : A 32 THR OG1 : rot 59:sc= 0.0813 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 12:sc= 0.656 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.68) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 124:sc= 2.16 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 87:sc= 0.195 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 18:sc= 0.394 USER MOD Single : A 80 ASN : amide:sc= -1.42 K(o=-1.4,f=-7.5!) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.908 K(o=-0.91,f=-4.8!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= 0.0353 K(o=0.035,f=-4.9!) USER MOD Single : A 103 SER OG : rot 57:sc= 1.16 USER MOD Single : A 105 THR OG1 : rot 161:sc= 0.6 USER MOD Single : A 106 ASN : amide:sc= -0.252 K(o=-0.25,f=-3!) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 3.811 11.278 -8.243 1.00 0.00 N HETATM 2 CA PCA A 1 3.992 11.783 -6.874 1.00 0.00 C HETATM 3 CB PCA A 1 2.737 11.367 -6.095 1.00 0.00 C HETATM 4 CG PCA A 1 2.247 10.092 -6.793 1.00 0.00 C HETATM 5 CD PCA A 1 2.747 10.268 -8.224 1.00 0.00 C HETATM 6 OE PCA A 1 2.244 9.722 -9.203 1.00 0.00 O HETATM 7 C PCA A 1 5.279 11.221 -6.272 1.00 0.00 C HETATM 8 O PCA A 1 5.265 10.173 -5.628 1.00 0.00 O HETATM 0 H2 PCA A 1 3.167 11.908 -8.763 1.00 0.00 H new HETATM 0 HA PCA A 1 4.101 12.867 -6.842 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.966 11.180 -5.046 1.00 0.00 H new HETATM 0 HB3 PCA A 1 1.978 12.149 -6.121 1.00 0.00 H new HETATM 0 HG2 PCA A 1 2.658 9.195 -6.330 1.00 0.00 H new HETATM 0 HG3 PCA A 1 1.161 10.002 -6.753 1.00 0.00 H new ATOM 15 N SER A 2 6.391 11.929 -6.500 1.00 0.00 N ATOM 16 CA SER A 2 7.715 11.558 -6.024 1.00 0.00 C ATOM 17 C SER A 2 8.522 12.832 -5.789 1.00 0.00 C ATOM 18 O SER A 2 9.436 13.153 -6.549 1.00 0.00 O ATOM 19 CB SER A 2 8.376 10.621 -7.039 1.00 0.00 C ATOM 20 OG SER A 2 9.638 10.195 -6.573 1.00 0.00 O ATOM 0 H SER A 2 6.388 12.797 -7.035 1.00 0.00 H new ATOM 0 HA SER A 2 7.658 11.018 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.736 9.756 -7.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.489 11.133 -7.995 1.00 0.00 H new ATOM 0 HG SER A 2 10.045 9.596 -7.233 1.00 0.00 H new ATOM 26 N ALA A 3 8.147 13.549 -4.723 1.00 0.00 N ATOM 27 CA ALA A 3 8.721 14.808 -4.262 1.00 0.00 C ATOM 28 C ALA A 3 8.352 15.958 -5.198 1.00 0.00 C ATOM 29 O ALA A 3 8.299 15.785 -6.415 1.00 0.00 O ATOM 30 CB ALA A 3 10.238 14.712 -4.057 1.00 0.00 C ATOM 0 H ALA A 3 7.383 13.240 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 3 8.286 15.021 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.620 15.673 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.457 13.947 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.717 14.447 -5.000 1.00 0.00 H new ATOM 36 N THR A 4 8.083 17.133 -4.617 1.00 0.00 N ATOM 37 CA THR A 4 7.704 18.335 -5.346 1.00 0.00 C ATOM 38 C THR A 4 8.557 19.527 -4.937 1.00 0.00 C ATOM 39 O THR A 4 8.261 20.194 -3.947 1.00 0.00 O ATOM 40 CB THR A 4 6.231 18.650 -5.077 1.00 0.00 C ATOM 41 OG1 THR A 4 5.940 18.311 -3.740 1.00 0.00 O ATOM 42 CG2 THR A 4 5.317 17.906 -6.048 1.00 0.00 C ATOM 0 H THR A 4 8.125 17.271 -3.607 1.00 0.00 H new ATOM 0 HA THR A 4 7.863 18.151 -6.408 1.00 0.00 H new ATOM 0 HB THR A 4 6.051 19.714 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.787 19.128 -3.221 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.278 18.152 -5.830 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.553 18.203 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.467 16.832 -5.938 1.00 0.00 H new ATOM 50 N THR A 5 9.612 19.797 -5.710 1.00 0.00 N ATOM 51 CA THR A 5 10.510 20.889 -5.535 1.00 0.00 C ATOM 52 C THR A 5 9.970 21.891 -6.554 1.00 0.00 C ATOM 53 O THR A 5 10.303 21.844 -7.738 1.00 0.00 O ATOM 54 CB THR A 5 11.917 20.347 -5.793 1.00 0.00 C ATOM 55 OG1 THR A 5 12.385 19.670 -4.648 1.00 0.00 O ATOM 56 CG2 THR A 5 12.836 21.497 -6.127 1.00 0.00 C ATOM 0 H THR A 5 9.856 19.215 -6.511 1.00 0.00 H new ATOM 0 HA THR A 5 10.575 21.364 -4.556 1.00 0.00 H new ATOM 0 HB THR A 5 11.894 19.647 -6.628 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.652 19.567 -4.006 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.841 21.118 -6.312 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.471 22.007 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.861 22.197 -5.292 1.00 0.00 H new ATOM 64 N CYS A 6 9.109 22.792 -6.073 1.00 0.00 N ATOM 65 CA CYS A 6 8.466 23.822 -6.871 1.00 0.00 C ATOM 66 C CYS A 6 9.356 25.060 -6.822 1.00 0.00 C ATOM 67 O CYS A 6 9.046 26.046 -6.154 1.00 0.00 O ATOM 68 CB CYS A 6 7.042 24.051 -6.348 1.00 0.00 C ATOM 69 SG CYS A 6 5.832 22.751 -6.755 1.00 0.00 S ATOM 0 H CYS A 6 8.837 22.820 -5.090 1.00 0.00 H new ATOM 0 HA CYS A 6 8.355 23.536 -7.917 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.085 24.155 -5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.677 24.998 -6.745 1.00 0.00 H new ATOM 74 N GLY A 7 10.478 24.974 -7.549 1.00 0.00 N ATOM 75 CA GLY A 7 11.488 26.010 -7.642 1.00 0.00 C ATOM 76 C GLY A 7 12.358 25.944 -6.392 1.00 0.00 C ATOM 77 O GLY A 7 13.255 25.109 -6.303 1.00 0.00 O ATOM 0 H GLY A 7 10.705 24.149 -8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.096 25.868 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.019 26.990 -7.727 1.00 0.00 H new ATOM 81 N SER A 8 12.072 26.833 -5.436 1.00 0.00 N ATOM 82 CA SER A 8 12.755 26.939 -4.154 1.00 0.00 C ATOM 83 C SER A 8 11.895 26.288 -3.069 1.00 0.00 C ATOM 84 O SER A 8 12.420 25.618 -2.180 1.00 0.00 O ATOM 85 CB SER A 8 13.013 28.416 -3.836 1.00 0.00 C ATOM 86 OG SER A 8 13.867 28.981 -4.807 1.00 0.00 O ATOM 0 H SER A 8 11.329 27.523 -5.543 1.00 0.00 H new ATOM 0 HA SER A 8 13.714 26.422 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.069 28.960 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.462 28.510 -2.847 1.00 0.00 H new ATOM 0 HG SER A 8 14.024 29.925 -4.595 1.00 0.00 H new ATOM 92 N THR A 9 10.572 26.492 -3.151 1.00 0.00 N ATOM 93 CA THR A 9 9.588 25.974 -2.215 1.00 0.00 C ATOM 94 C THR A 9 9.444 24.464 -2.444 1.00 0.00 C ATOM 95 O THR A 9 8.836 24.049 -3.428 1.00 0.00 O ATOM 96 CB THR A 9 8.253 26.730 -2.400 1.00 0.00 C ATOM 97 OG1 THR A 9 8.458 28.050 -2.862 1.00 0.00 O ATOM 98 CG2 THR A 9 7.498 26.815 -1.073 1.00 0.00 C ATOM 0 H THR A 9 10.153 27.043 -3.900 1.00 0.00 H new ATOM 0 HA THR A 9 9.905 26.131 -1.184 1.00 0.00 H new ATOM 0 HB THR A 9 7.678 26.171 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.593 28.497 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.560 27.350 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.288 25.809 -0.709 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.107 27.346 -0.341 1.00 0.00 H new ATOM 106 N ASN A 10 10.000 23.646 -1.537 1.00 0.00 N ATOM 107 CA ASN A 10 9.978 22.189 -1.625 1.00 0.00 C ATOM 108 C ASN A 10 9.102 21.552 -0.548 1.00 0.00 C ATOM 109 O ASN A 10 9.172 21.933 0.619 1.00 0.00 O ATOM 110 CB ASN A 10 11.418 21.668 -1.525 1.00 0.00 C ATOM 111 CG ASN A 10 11.510 20.140 -1.573 1.00 0.00 C ATOM 112 OD1 ASN A 10 10.725 19.481 -2.252 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.474 19.571 -0.844 1.00 0.00 N ATOM 0 H ASN A 10 10.485 23.991 -0.709 1.00 0.00 H new ATOM 0 HA ASN A 10 9.540 21.910 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.007 22.087 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.863 22.024 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.577 18.556 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.107 20.151 -0.293 1.00 0.00 H new ATOM 120 N TYR A 11 8.272 20.584 -0.965 1.00 0.00 N ATOM 121 CA TYR A 11 7.372 19.818 -0.122 1.00 0.00 C ATOM 122 C TYR A 11 7.713 18.336 -0.324 1.00 0.00 C ATOM 123 O TYR A 11 8.148 17.933 -1.407 1.00 0.00 O ATOM 124 CB TYR A 11 5.895 20.094 -0.468 1.00 0.00 C ATOM 125 CG TYR A 11 5.586 21.226 -1.437 1.00 0.00 C ATOM 126 CD1 TYR A 11 6.054 22.537 -1.214 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.805 20.958 -2.575 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.762 23.554 -2.135 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.524 21.969 -3.501 1.00 0.00 C ATOM 130 CZ TYR A 11 5.005 23.266 -3.280 1.00 0.00 C ATOM 131 OH TYR A 11 4.737 24.238 -4.189 1.00 0.00 O ATOM 0 H TYR A 11 8.215 20.309 -1.946 1.00 0.00 H new ATOM 0 HA TYR A 11 7.501 20.107 0.921 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.472 19.178 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.367 20.299 0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.638 22.759 -0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.418 19.963 -2.736 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.120 24.558 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.939 21.750 -4.382 1.00 0.00 H new ATOM 0 HH TYR A 11 4.794 23.865 -5.093 1.00 0.00 H new ATOM 141 N SER A 12 7.499 17.527 0.720 1.00 0.00 N ATOM 142 CA SER A 12 7.781 16.100 0.723 1.00 0.00 C ATOM 143 C SER A 12 6.769 15.358 -0.122 1.00 0.00 C ATOM 144 O SER A 12 5.656 15.839 -0.323 1.00 0.00 O ATOM 145 CB SER A 12 7.760 15.584 2.168 1.00 0.00 C ATOM 146 OG SER A 12 8.743 16.243 2.937 1.00 0.00 O ATOM 0 H SER A 12 7.116 17.861 1.604 1.00 0.00 H new ATOM 0 HA SER A 12 8.768 15.926 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.775 15.748 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.939 14.509 2.180 1.00 0.00 H new ATOM 0 HG SER A 12 8.719 15.906 3.857 1.00 0.00 H new ATOM 152 N ALA A 13 7.177 14.182 -0.622 1.00 0.00 N ATOM 153 CA ALA A 13 6.305 13.313 -1.395 1.00 0.00 C ATOM 154 C ALA A 13 5.101 12.956 -0.505 1.00 0.00 C ATOM 155 O ALA A 13 4.052 12.551 -1.002 1.00 0.00 O ATOM 156 CB ALA A 13 7.073 12.048 -1.800 1.00 0.00 C ATOM 0 H ALA A 13 8.121 13.816 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 13 5.963 13.806 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.420 11.396 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.938 12.325 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.408 11.524 -0.905 1.00 0.00 H new ATOM 162 N SER A 14 5.274 13.132 0.818 1.00 0.00 N ATOM 163 CA SER A 14 4.265 12.879 1.829 1.00 0.00 C ATOM 164 C SER A 14 3.192 13.966 1.761 1.00 0.00 C ATOM 165 O SER A 14 2.010 13.657 1.885 1.00 0.00 O ATOM 166 CB SER A 14 4.927 12.845 3.210 1.00 0.00 C ATOM 167 OG SER A 14 3.965 12.575 4.208 1.00 0.00 O ATOM 0 H SER A 14 6.154 13.466 1.212 1.00 0.00 H new ATOM 0 HA SER A 14 3.789 11.915 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.705 12.082 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.412 13.800 3.412 1.00 0.00 H new ATOM 0 HG SER A 14 4.401 12.554 5.085 1.00 0.00 H new ATOM 173 N GLN A 15 3.592 15.233 1.562 1.00 0.00 N ATOM 174 CA GLN A 15 2.665 16.352 1.464 1.00 0.00 C ATOM 175 C GLN A 15 1.877 16.301 0.160 1.00 0.00 C ATOM 176 O GLN A 15 0.711 16.683 0.144 1.00 0.00 O ATOM 177 CB GLN A 15 3.393 17.687 1.657 1.00 0.00 C ATOM 178 CG GLN A 15 4.073 17.736 3.032 1.00 0.00 C ATOM 179 CD GLN A 15 3.097 17.665 4.209 1.00 0.00 C ATOM 180 OE1 GLN A 15 1.932 18.041 4.092 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.577 17.172 5.353 1.00 0.00 N ATOM 0 H GLN A 15 4.571 15.501 1.466 1.00 0.00 H new ATOM 0 HA GLN A 15 1.939 16.268 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.138 17.818 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.685 18.510 1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.779 16.909 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.652 18.656 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.550 16.871 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.971 17.097 6.170 1.00 0.00 H new ATOM 190 N VAL A 16 2.511 15.843 -0.926 1.00 0.00 N ATOM 191 CA VAL A 16 1.863 15.694 -2.225 1.00 0.00 C ATOM 192 C VAL A 16 0.696 14.722 -2.032 1.00 0.00 C ATOM 193 O VAL A 16 -0.423 14.999 -2.457 1.00 0.00 O ATOM 194 CB VAL A 16 2.838 15.144 -3.280 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.170 15.093 -4.649 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.063 16.042 -3.422 1.00 0.00 C ATOM 0 H VAL A 16 3.492 15.565 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 16 1.519 16.664 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 16 3.132 14.149 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.874 14.701 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.295 14.444 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.862 16.097 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.733 15.627 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.749 17.040 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.583 16.101 -2.466 1.00 0.00 H new ATOM 206 N ARG A 17 0.982 13.588 -1.372 1.00 0.00 N ATOM 207 CA ARG A 17 0.031 12.534 -1.068 1.00 0.00 C ATOM 208 C ARG A 17 -1.045 13.016 -0.091 1.00 0.00 C ATOM 209 O ARG A 17 -2.204 12.637 -0.244 1.00 0.00 O ATOM 210 CB ARG A 17 0.793 11.319 -0.519 1.00 0.00 C ATOM 211 CG ARG A 17 -0.122 10.104 -0.326 1.00 0.00 C ATOM 212 CD ARG A 17 0.684 8.893 0.152 1.00 0.00 C ATOM 213 NE ARG A 17 -0.183 7.721 0.334 1.00 0.00 N ATOM 214 CZ ARG A 17 0.217 6.532 0.814 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.490 6.325 1.182 1.00 0.00 N ATOM 216 NH2 ARG A 17 -0.672 5.535 0.930 1.00 0.00 N ATOM 0 H ARG A 17 1.920 13.383 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.490 12.244 -1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.601 11.059 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.254 11.581 0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.900 10.340 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.623 9.867 -1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.465 8.663 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.182 9.131 1.092 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.165 7.818 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.174 7.078 1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.775 5.415 1.544 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.643 5.683 0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.377 4.629 1.293 1.00 0.00 H new ATOM 230 N ALA A 18 -0.684 13.846 0.901 1.00 0.00 N ATOM 231 CA ALA A 18 -1.638 14.343 1.886 1.00 0.00 C ATOM 232 C ALA A 18 -2.650 15.273 1.217 1.00 0.00 C ATOM 233 O ALA A 18 -3.860 15.054 1.307 1.00 0.00 O ATOM 234 CB ALA A 18 -0.895 15.054 3.021 1.00 0.00 C ATOM 0 H ALA A 18 0.269 14.184 1.036 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.186 13.503 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.615 15.422 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.213 14.354 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.328 15.892 2.616 1.00 0.00 H new ATOM 240 N ALA A 19 -2.140 16.306 0.537 1.00 0.00 N ATOM 241 CA ALA A 19 -2.941 17.288 -0.173 1.00 0.00 C ATOM 242 C ALA A 19 -3.775 16.623 -1.262 1.00 0.00 C ATOM 243 O ALA A 19 -4.864 17.106 -1.562 1.00 0.00 O ATOM 244 CB ALA A 19 -2.045 18.375 -0.771 1.00 0.00 C ATOM 0 H ALA A 19 -1.137 16.479 0.468 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.623 17.753 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.660 19.103 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.497 18.875 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.339 17.922 -1.467 1.00 0.00 H new ATOM 250 N ALA A 20 -3.270 15.531 -1.857 1.00 0.00 N ATOM 251 CA ALA A 20 -3.996 14.816 -2.889 1.00 0.00 C ATOM 252 C ALA A 20 -5.126 13.996 -2.307 1.00 0.00 C ATOM 253 O ALA A 20 -6.224 14.030 -2.851 1.00 0.00 O ATOM 254 CB ALA A 20 -3.061 13.999 -3.783 1.00 0.00 C ATOM 0 H ALA A 20 -2.358 15.132 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.460 15.557 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.646 13.479 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.347 14.665 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.523 13.270 -3.177 1.00 0.00 H new ATOM 260 N ASN A 21 -4.884 13.271 -1.211 1.00 0.00 N ATOM 261 CA ASN A 21 -5.939 12.504 -0.570 1.00 0.00 C ATOM 262 C ASN A 21 -7.044 13.475 -0.124 1.00 0.00 C ATOM 263 O ASN A 21 -8.206 13.082 -0.002 1.00 0.00 O ATOM 264 CB ASN A 21 -5.360 11.722 0.616 1.00 0.00 C ATOM 265 CG ASN A 21 -6.416 10.838 1.278 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.662 9.721 0.826 1.00 0.00 O ATOM 267 ND2 ASN A 21 -7.044 11.336 2.346 1.00 0.00 N ATOM 0 H ASN A 21 -3.973 13.203 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.367 11.780 -1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.530 11.104 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.957 12.420 1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.759 10.785 2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.809 12.268 2.688 1.00 0.00 H new ATOM 274 N ALA A 22 -6.686 14.754 0.092 1.00 0.00 N ATOM 275 CA ALA A 22 -7.644 15.752 0.549 1.00 0.00 C ATOM 276 C ALA A 22 -8.464 16.133 -0.673 1.00 0.00 C ATOM 277 O ALA A 22 -9.692 16.122 -0.630 1.00 0.00 O ATOM 278 CB ALA A 22 -6.930 16.956 1.152 1.00 0.00 C ATOM 0 H ALA A 22 -5.740 15.111 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.286 15.363 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.667 17.687 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.328 16.634 2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.284 17.410 0.401 1.00 0.00 H new ATOM 284 N ALA A 23 -7.744 16.480 -1.748 1.00 0.00 N ATOM 285 CA ALA A 23 -8.300 16.824 -3.044 1.00 0.00 C ATOM 286 C ALA A 23 -9.266 15.744 -3.526 1.00 0.00 C ATOM 287 O ALA A 23 -10.225 16.078 -4.210 1.00 0.00 O ATOM 288 CB ALA A 23 -7.172 17.028 -4.061 1.00 0.00 C ATOM 0 H ALA A 23 -6.725 16.528 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.858 17.755 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.598 17.286 -5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.521 17.835 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.593 16.109 -4.152 1.00 0.00 H new ATOM 294 N CYS A 24 -9.031 14.468 -3.184 1.00 0.00 N ATOM 295 CA CYS A 24 -9.906 13.375 -3.576 1.00 0.00 C ATOM 296 C CYS A 24 -11.226 13.447 -2.815 1.00 0.00 C ATOM 297 O CYS A 24 -12.287 13.468 -3.435 1.00 0.00 O ATOM 298 CB CYS A 24 -9.250 12.010 -3.339 1.00 0.00 C ATOM 299 SG CYS A 24 -7.672 11.762 -4.183 1.00 0.00 S ATOM 0 H CYS A 24 -8.227 14.175 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.096 13.481 -4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.096 11.879 -2.268 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.942 11.231 -3.659 1.00 0.00 H new ATOM 304 N GLN A 25 -11.159 13.500 -1.475 1.00 0.00 N ATOM 305 CA GLN A 25 -12.343 13.545 -0.628 1.00 0.00 C ATOM 306 C GLN A 25 -13.216 14.761 -0.961 1.00 0.00 C ATOM 307 O GLN A 25 -14.437 14.644 -1.037 1.00 0.00 O ATOM 308 CB GLN A 25 -11.927 13.552 0.851 1.00 0.00 C ATOM 309 CG GLN A 25 -11.213 12.261 1.282 1.00 0.00 C ATOM 310 CD GLN A 25 -12.113 11.027 1.236 1.00 0.00 C ATOM 311 OE1 GLN A 25 -13.266 11.075 1.655 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.582 9.911 0.734 1.00 0.00 N ATOM 0 H GLN A 25 -10.280 13.512 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.941 12.654 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.270 14.402 1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.812 13.695 1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.351 12.098 0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.832 12.386 2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.620 9.911 0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.138 9.057 0.688 1.00 0.00 H new ATOM 321 N TYR A 26 -12.581 15.918 -1.177 1.00 0.00 N ATOM 322 CA TYR A 26 -13.245 17.179 -1.488 1.00 0.00 C ATOM 323 C TYR A 26 -13.762 17.186 -2.937 1.00 0.00 C ATOM 324 O TYR A 26 -14.898 17.601 -3.159 1.00 0.00 O ATOM 325 CB TYR A 26 -12.300 18.336 -1.111 1.00 0.00 C ATOM 326 CG TYR A 26 -12.693 19.768 -1.444 1.00 0.00 C ATOM 327 CD1 TYR A 26 -14.020 20.163 -1.705 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.672 20.732 -1.481 1.00 0.00 C ATOM 329 CE1 TYR A 26 -14.310 21.499 -2.031 1.00 0.00 C ATOM 330 CE2 TYR A 26 -11.957 22.068 -1.808 1.00 0.00 C ATOM 331 CZ TYR A 26 -13.276 22.449 -2.098 1.00 0.00 C ATOM 332 OH TYR A 26 -13.554 23.741 -2.432 1.00 0.00 O ATOM 0 H TYR A 26 -11.565 16.001 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.148 17.313 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.136 18.285 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -11.340 18.142 -1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.817 19.436 -1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.656 20.443 -1.255 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -15.329 21.796 -2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.163 22.800 -1.836 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.907 24.213 -1.649 1.00 0.00 H new ATOM 342 N TYR A 27 -12.974 16.726 -3.925 1.00 0.00 N ATOM 343 CA TYR A 27 -13.410 16.684 -5.326 1.00 0.00 C ATOM 344 C TYR A 27 -14.719 15.892 -5.412 1.00 0.00 C ATOM 345 O TYR A 27 -15.597 16.244 -6.200 1.00 0.00 O ATOM 346 CB TYR A 27 -12.289 16.181 -6.283 1.00 0.00 C ATOM 347 CG TYR A 27 -12.743 15.868 -7.706 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.575 14.740 -7.858 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.370 16.629 -8.853 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.078 14.373 -9.107 1.00 0.00 C ATOM 351 CE2 TYR A 27 -12.887 16.238 -10.107 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.748 15.133 -10.229 1.00 0.00 C ATOM 353 OH TYR A 27 -14.263 14.775 -11.436 1.00 0.00 O ATOM 0 H TYR A 27 -12.027 16.377 -3.774 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.613 17.695 -5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.504 16.936 -6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.843 15.283 -5.855 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.828 14.148 -6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.711 17.480 -8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.717 13.508 -9.204 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.616 16.798 -10.990 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.135 14.347 -11.306 1.00 0.00 H new ATOM 363 N GLN A 28 -14.855 14.838 -4.594 1.00 0.00 N ATOM 364 CA GLN A 28 -16.041 14.002 -4.576 1.00 0.00 C ATOM 365 C GLN A 28 -17.187 14.792 -3.950 1.00 0.00 C ATOM 366 O GLN A 28 -18.133 15.126 -4.658 1.00 0.00 O ATOM 367 CB GLN A 28 -15.752 12.695 -3.827 1.00 0.00 C ATOM 368 CG GLN A 28 -14.835 11.791 -4.661 1.00 0.00 C ATOM 369 CD GLN A 28 -14.414 10.556 -3.872 1.00 0.00 C ATOM 370 OE1 GLN A 28 -13.364 10.553 -3.232 1.00 0.00 O ATOM 371 NE2 GLN A 28 -15.234 9.502 -3.919 1.00 0.00 N ATOM 0 H GLN A 28 -14.138 14.549 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.332 13.726 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.282 12.914 -2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.687 12.177 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.351 11.486 -5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.950 12.349 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.095 9.550 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.999 8.650 -3.410 1.00 0.00 H new ATOM 380 N ASN A 29 -17.071 15.086 -2.644 1.00 0.00 N ATOM 381 CA ASN A 29 -18.027 15.813 -1.792 1.00 0.00 C ATOM 382 C ASN A 29 -17.899 15.475 -0.297 1.00 0.00 C ATOM 383 O ASN A 29 -18.578 16.112 0.508 1.00 0.00 O ATOM 384 CB ASN A 29 -19.503 15.625 -2.211 1.00 0.00 C ATOM 385 CG ASN A 29 -19.958 14.162 -2.247 1.00 0.00 C ATOM 386 OD1 ASN A 29 -20.182 13.606 -3.319 1.00 0.00 O ATOM 387 ND2 ASN A 29 -20.107 13.533 -1.077 1.00 0.00 N ATOM 0 H ASN A 29 -16.245 14.801 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 29 -17.749 16.856 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.140 16.176 -1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.649 16.065 -3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -20.416 12.561 -1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.912 14.025 -0.205 1.00 0.00 H new ATOM 394 N ASP A 30 -17.066 14.498 0.096 1.00 0.00 N ATOM 395 CA ASP A 30 -16.887 14.070 1.478 1.00 0.00 C ATOM 396 C ASP A 30 -15.975 15.007 2.288 1.00 0.00 C ATOM 397 O ASP A 30 -14.985 14.561 2.861 1.00 0.00 O ATOM 398 CB ASP A 30 -16.393 12.613 1.459 1.00 0.00 C ATOM 399 CG ASP A 30 -16.529 11.929 2.818 1.00 0.00 C ATOM 400 OD1 ASP A 30 -17.687 11.647 3.200 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.478 11.690 3.451 1.00 0.00 O ATOM 0 H ASP A 30 -16.487 13.975 -0.561 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.842 14.123 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.958 12.051 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.348 12.591 1.148 1.00 0.00 H new ATOM 406 N ASP A 31 -16.351 16.297 2.319 1.00 0.00 N ATOM 407 CA ASP A 31 -15.777 17.468 2.983 1.00 0.00 C ATOM 408 C ASP A 31 -15.836 18.653 2.016 1.00 0.00 C ATOM 409 O ASP A 31 -15.202 18.627 0.963 1.00 0.00 O ATOM 410 CB ASP A 31 -14.378 17.296 3.609 1.00 0.00 C ATOM 411 CG ASP A 31 -13.222 17.284 2.606 1.00 0.00 C ATOM 412 OD1 ASP A 31 -13.203 16.376 1.751 1.00 0.00 O ATOM 413 OD2 ASP A 31 -12.373 18.196 2.709 1.00 0.00 O ATOM 0 H ASP A 31 -17.185 16.575 1.802 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.394 17.646 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.213 18.104 4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.360 16.364 4.173 1.00 0.00 H new ATOM 418 N THR A 32 -16.608 19.688 2.367 1.00 0.00 N ATOM 419 CA THR A 32 -16.778 20.884 1.550 1.00 0.00 C ATOM 420 C THR A 32 -15.809 21.966 2.032 1.00 0.00 C ATOM 421 O THR A 32 -16.220 23.026 2.501 1.00 0.00 O ATOM 422 CB THR A 32 -18.252 21.320 1.572 1.00 0.00 C ATOM 423 OG1 THR A 32 -18.694 21.525 2.899 1.00 0.00 O ATOM 424 CG2 THR A 32 -19.138 20.261 0.904 1.00 0.00 C ATOM 0 H THR A 32 -17.137 19.714 3.239 1.00 0.00 H new ATOM 0 HA THR A 32 -16.533 20.684 0.507 1.00 0.00 H new ATOM 0 HB THR A 32 -18.329 22.257 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.142 22.214 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.178 20.588 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.825 20.126 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.041 19.316 1.439 1.00 0.00 H new ATOM 432 N ALA A 33 -14.507 21.680 1.897 1.00 0.00 N ATOM 433 CA ALA A 33 -13.416 22.558 2.298 1.00 0.00 C ATOM 434 C ALA A 33 -13.143 23.605 1.214 1.00 0.00 C ATOM 435 O ALA A 33 -13.999 23.867 0.371 1.00 0.00 O ATOM 436 CB ALA A 33 -12.192 21.683 2.600 1.00 0.00 C ATOM 0 H ALA A 33 -14.181 20.802 1.492 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.675 23.117 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.358 22.316 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.431 20.988 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.916 21.123 1.707 1.00 0.00 H new ATOM 442 N GLY A 34 -11.949 24.207 1.263 1.00 0.00 N ATOM 443 CA GLY A 34 -11.448 25.211 0.333 1.00 0.00 C ATOM 444 C GLY A 34 -12.458 26.312 0.008 1.00 0.00 C ATOM 445 O GLY A 34 -12.903 27.019 0.911 1.00 0.00 O ATOM 0 H GLY A 34 -11.273 23.991 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.551 25.666 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.151 24.719 -0.593 1.00 0.00 H new ATOM 449 N SER A 35 -12.805 26.453 -1.281 1.00 0.00 N ATOM 450 CA SER A 35 -13.739 27.457 -1.768 1.00 0.00 C ATOM 451 C SER A 35 -14.658 26.871 -2.845 1.00 0.00 C ATOM 452 O SER A 35 -15.699 26.314 -2.503 1.00 0.00 O ATOM 453 CB SER A 35 -12.967 28.701 -2.231 1.00 0.00 C ATOM 454 OG SER A 35 -13.859 29.691 -2.695 1.00 0.00 O ATOM 0 H SER A 35 -12.433 25.857 -2.020 1.00 0.00 H new ATOM 0 HA SER A 35 -14.397 27.774 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.373 29.096 -1.407 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.270 28.430 -3.024 1.00 0.00 H new ATOM 0 HG SER A 35 -13.352 30.478 -2.985 1.00 0.00 H new ATOM 460 N SER A 36 -14.287 26.979 -4.132 1.00 0.00 N ATOM 461 CA SER A 36 -15.082 26.497 -5.258 1.00 0.00 C ATOM 462 C SER A 36 -14.225 26.358 -6.518 1.00 0.00 C ATOM 463 O SER A 36 -14.363 25.372 -7.240 1.00 0.00 O ATOM 464 CB SER A 36 -16.237 27.468 -5.556 1.00 0.00 C ATOM 465 OG SER A 36 -17.240 27.415 -4.566 1.00 0.00 O ATOM 0 H SER A 36 -13.409 27.413 -4.417 1.00 0.00 H new ATOM 0 HA SER A 36 -15.479 25.520 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.848 28.484 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.672 27.227 -6.526 1.00 0.00 H new ATOM 0 HG SER A 36 -16.910 26.911 -3.793 1.00 0.00 H new ATOM 471 N THR A 37 -13.338 27.331 -6.777 1.00 0.00 N ATOM 472 CA THR A 37 -12.465 27.365 -7.948 1.00 0.00 C ATOM 473 C THR A 37 -11.230 26.461 -7.801 1.00 0.00 C ATOM 474 O THR A 37 -10.149 26.830 -8.252 1.00 0.00 O ATOM 475 CB THR A 37 -12.074 28.824 -8.245 1.00 0.00 C ATOM 476 OG1 THR A 37 -11.349 29.363 -7.159 1.00 0.00 O ATOM 477 CG2 THR A 37 -13.304 29.696 -8.522 1.00 0.00 C ATOM 0 H THR A 37 -13.209 28.133 -6.160 1.00 0.00 H new ATOM 0 HA THR A 37 -13.018 26.960 -8.795 1.00 0.00 H new ATOM 0 HB THR A 37 -11.452 28.821 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.103 30.291 -7.358 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.986 30.718 -8.727 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.842 29.303 -9.385 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.960 29.688 -7.651 1.00 0.00 H new ATOM 485 N TYR A 38 -11.414 25.295 -7.168 1.00 0.00 N ATOM 486 CA TYR A 38 -10.487 24.203 -6.869 1.00 0.00 C ATOM 487 C TYR A 38 -11.195 23.387 -5.784 1.00 0.00 C ATOM 488 O TYR A 38 -11.459 23.905 -4.700 1.00 0.00 O ATOM 489 CB TYR A 38 -9.089 24.609 -6.353 1.00 0.00 C ATOM 490 CG TYR A 38 -8.827 26.044 -5.935 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.671 26.692 -5.019 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.731 26.731 -6.485 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.420 28.026 -4.656 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.479 28.065 -6.127 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.328 28.716 -5.215 1.00 0.00 C ATOM 496 OH TYR A 38 -8.093 30.014 -4.867 1.00 0.00 O ATOM 0 H TYR A 38 -12.341 25.070 -6.807 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.275 23.675 -7.799 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.861 23.974 -5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.370 24.361 -7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.513 26.165 -4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.080 26.230 -7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.066 28.523 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.635 28.589 -6.551 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.301 30.342 -5.342 1.00 0.00 H new ATOM 506 N PRO A 39 -11.520 22.119 -6.050 1.00 0.00 N ATOM 507 CA PRO A 39 -11.261 21.425 -7.293 1.00 0.00 C ATOM 508 C PRO A 39 -12.223 21.915 -8.387 1.00 0.00 C ATOM 509 O PRO A 39 -13.438 21.909 -8.188 1.00 0.00 O ATOM 510 CB PRO A 39 -11.433 19.947 -6.955 1.00 0.00 C ATOM 511 CG PRO A 39 -12.406 19.939 -5.781 1.00 0.00 C ATOM 512 CD PRO A 39 -12.177 21.269 -5.085 1.00 0.00 C ATOM 0 HA PRO A 39 -10.264 21.610 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.829 19.389 -7.803 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.482 19.487 -6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.437 19.842 -6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.211 19.102 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.121 21.706 -4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.561 21.142 -4.195 1.00 0.00 H new ATOM 520 N HIS A 40 -11.673 22.349 -9.533 1.00 0.00 N ATOM 521 CA HIS A 40 -12.413 22.841 -10.692 1.00 0.00 C ATOM 522 C HIS A 40 -11.628 22.569 -11.977 1.00 0.00 C ATOM 523 O HIS A 40 -10.397 22.584 -11.967 1.00 0.00 O ATOM 524 CB HIS A 40 -12.720 24.342 -10.550 1.00 0.00 C ATOM 525 CG HIS A 40 -11.551 25.262 -10.819 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.709 26.513 -11.398 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.200 25.145 -10.593 1.00 0.00 C ATOM 528 CE1 HIS A 40 -10.488 27.066 -11.500 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.520 26.274 -11.037 1.00 0.00 N ATOM 0 H HIS A 40 -10.663 22.365 -9.676 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.362 22.308 -10.745 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.529 24.598 -11.234 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.085 24.529 -9.540 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.729 24.290 -10.132 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.310 28.048 -11.913 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -8.516 26.454 -11.014 1.00 0.00 H new ATOM 537 N THR A 41 -12.337 22.315 -13.083 1.00 0.00 N ATOM 538 CA THR A 41 -11.771 22.051 -14.389 1.00 0.00 C ATOM 539 C THR A 41 -11.033 23.263 -14.950 1.00 0.00 C ATOM 540 O THR A 41 -11.505 24.388 -14.792 1.00 0.00 O ATOM 541 CB THR A 41 -12.918 21.644 -15.330 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.946 20.961 -14.641 1.00 0.00 O ATOM 543 CG2 THR A 41 -12.383 20.709 -16.402 1.00 0.00 C ATOM 0 H THR A 41 -13.357 22.289 -13.081 1.00 0.00 H new ATOM 0 HA THR A 41 -11.037 21.250 -14.302 1.00 0.00 H new ATOM 0 HB THR A 41 -13.324 22.559 -15.762 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.657 20.720 -15.270 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.194 20.419 -17.070 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.606 21.217 -16.973 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.964 19.819 -15.932 1.00 0.00 H new ATOM 551 N TYR A 42 -9.874 23.031 -15.589 1.00 0.00 N ATOM 552 CA TYR A 42 -9.104 24.114 -16.202 1.00 0.00 C ATOM 553 C TYR A 42 -8.515 23.677 -17.545 1.00 0.00 C ATOM 554 O TYR A 42 -8.361 22.484 -17.804 1.00 0.00 O ATOM 555 CB TYR A 42 -8.058 24.693 -15.238 1.00 0.00 C ATOM 556 CG TYR A 42 -6.678 24.070 -15.332 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.463 22.773 -14.837 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.614 24.780 -15.924 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.185 22.196 -14.916 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.335 24.201 -16.000 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.119 22.909 -15.492 1.00 0.00 C ATOM 562 OH TYR A 42 -2.871 22.361 -15.561 1.00 0.00 O ATOM 0 H TYR A 42 -9.456 22.106 -15.692 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.788 24.936 -16.416 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.969 25.763 -15.424 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.423 24.576 -14.218 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.279 22.220 -14.396 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.781 25.771 -16.320 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.020 21.200 -14.532 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.519 24.749 -16.448 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.259 22.994 -15.991 1.00 0.00 H new ATOM 572 N ASN A 43 -8.186 24.661 -18.394 1.00 0.00 N ATOM 573 CA ASN A 43 -7.634 24.457 -19.728 1.00 0.00 C ATOM 574 C ASN A 43 -6.806 25.683 -20.136 1.00 0.00 C ATOM 575 O ASN A 43 -6.680 26.632 -19.361 1.00 0.00 O ATOM 576 CB ASN A 43 -8.812 24.208 -20.690 1.00 0.00 C ATOM 577 CG ASN A 43 -8.382 23.672 -22.057 1.00 0.00 C ATOM 578 OD1 ASN A 43 -8.420 24.394 -23.051 1.00 0.00 O ATOM 579 ND2 ASN A 43 -7.969 22.402 -22.108 1.00 0.00 N ATOM 0 H ASN A 43 -8.302 25.647 -18.159 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.966 23.596 -19.756 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.501 23.499 -20.231 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.359 25.140 -20.830 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.670 21.998 -22.996 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.953 21.837 -21.259 1.00 0.00 H new ATOM 586 N ASN A 44 -6.233 25.650 -21.350 1.00 0.00 N ATOM 587 CA ASN A 44 -5.425 26.699 -21.964 1.00 0.00 C ATOM 588 C ASN A 44 -4.031 26.804 -21.341 1.00 0.00 C ATOM 589 O ASN A 44 -3.768 26.241 -20.278 1.00 0.00 O ATOM 590 CB ASN A 44 -6.155 28.054 -21.975 1.00 0.00 C ATOM 591 CG ASN A 44 -7.562 27.939 -22.556 1.00 0.00 C ATOM 592 OD1 ASN A 44 -8.549 28.044 -21.830 1.00 0.00 O ATOM 593 ND2 ASN A 44 -7.659 27.719 -23.871 1.00 0.00 N ATOM 0 H ASN A 44 -6.332 24.839 -21.960 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.277 26.407 -23.004 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.213 28.443 -20.959 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.579 28.772 -22.559 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.577 27.632 -24.307 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.815 27.638 -24.438 1.00 0.00 H new ATOM 600 N TYR A 45 -3.140 27.529 -22.031 1.00 0.00 N ATOM 601 CA TYR A 45 -1.762 27.780 -21.631 1.00 0.00 C ATOM 602 C TYR A 45 -0.977 26.469 -21.535 1.00 0.00 C ATOM 603 O TYR A 45 -0.647 26.009 -20.443 1.00 0.00 O ATOM 604 CB TYR A 45 -1.712 28.617 -20.341 1.00 0.00 C ATOM 605 CG TYR A 45 -2.613 29.839 -20.362 1.00 0.00 C ATOM 606 CD1 TYR A 45 -2.240 30.982 -21.094 1.00 0.00 C ATOM 607 CD2 TYR A 45 -3.834 29.828 -19.659 1.00 0.00 C ATOM 608 CE1 TYR A 45 -3.081 32.108 -21.122 1.00 0.00 C ATOM 609 CE2 TYR A 45 -4.674 30.954 -19.688 1.00 0.00 C ATOM 610 CZ TYR A 45 -4.304 32.091 -20.426 1.00 0.00 C ATOM 611 OH TYR A 45 -5.127 33.179 -20.458 1.00 0.00 O ATOM 0 H TYR A 45 -3.376 27.972 -22.919 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.270 28.375 -22.400 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.994 27.985 -19.499 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.685 28.939 -20.168 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.306 30.994 -21.635 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.125 28.953 -19.097 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.788 32.987 -21.678 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.606 30.946 -19.142 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.929 32.998 -19.925 1.00 0.00 H new ATOM 621 N GLU A 46 -0.674 25.878 -22.697 1.00 0.00 N ATOM 622 CA GLU A 46 0.055 24.621 -22.808 1.00 0.00 C ATOM 623 C GLU A 46 1.542 24.824 -22.508 1.00 0.00 C ATOM 624 O GLU A 46 2.049 25.946 -22.533 1.00 0.00 O ATOM 625 CB GLU A 46 -0.143 24.012 -24.207 1.00 0.00 C ATOM 626 CG GLU A 46 -1.552 23.443 -24.431 1.00 0.00 C ATOM 627 CD GLU A 46 -2.645 24.511 -24.434 1.00 0.00 C ATOM 628 OE1 GLU A 46 -2.609 25.362 -25.349 1.00 0.00 O ATOM 629 OE2 GLU A 46 -3.492 24.461 -23.515 1.00 0.00 O ATOM 0 H GLU A 46 -0.936 26.272 -23.600 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.343 23.926 -22.069 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.056 24.776 -24.959 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.589 23.219 -24.357 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.573 22.909 -25.381 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.769 22.714 -23.651 1.00 0.00 H new ATOM 636 N GLY A 47 2.234 23.718 -22.218 1.00 0.00 N ATOM 637 CA GLY A 47 3.655 23.689 -21.916 1.00 0.00 C ATOM 638 C GLY A 47 4.066 22.240 -21.683 1.00 0.00 C ATOM 639 O GLY A 47 4.843 21.679 -22.455 1.00 0.00 O ATOM 0 H GLY A 47 1.801 22.795 -22.188 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.227 24.118 -22.739 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.868 24.291 -21.032 1.00 0.00 H new ATOM 643 N PHE A 48 3.530 21.648 -20.610 1.00 0.00 N ATOM 644 CA PHE A 48 3.749 20.277 -20.190 1.00 0.00 C ATOM 645 C PHE A 48 2.511 19.455 -20.535 1.00 0.00 C ATOM 646 O PHE A 48 1.443 20.007 -20.807 1.00 0.00 O ATOM 647 CB PHE A 48 4.014 20.224 -18.674 1.00 0.00 C ATOM 648 CG PHE A 48 3.904 21.542 -17.935 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.653 22.002 -17.479 1.00 0.00 C ATOM 650 CD2 PHE A 48 5.060 22.313 -17.719 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.565 23.234 -16.805 1.00 0.00 C ATOM 652 CE2 PHE A 48 4.969 23.543 -17.049 1.00 0.00 C ATOM 653 CZ PHE A 48 3.724 24.001 -16.588 1.00 0.00 C ATOM 0 H PHE A 48 2.899 22.148 -19.983 1.00 0.00 H new ATOM 0 HA PHE A 48 4.618 19.868 -20.705 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.313 19.520 -18.227 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.015 19.823 -18.514 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.765 21.411 -17.646 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.018 21.959 -18.069 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.608 23.591 -16.454 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.856 24.137 -16.888 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.656 24.944 -16.066 1.00 0.00 H new ATOM 663 N ASP A 49 2.667 18.128 -20.511 1.00 0.00 N ATOM 664 CA ASP A 49 1.605 17.175 -20.785 1.00 0.00 C ATOM 665 C ASP A 49 1.620 16.132 -19.673 1.00 0.00 C ATOM 666 O ASP A 49 2.644 15.494 -19.429 1.00 0.00 O ATOM 667 CB ASP A 49 1.801 16.533 -22.162 1.00 0.00 C ATOM 668 CG ASP A 49 1.723 17.571 -23.280 1.00 0.00 C ATOM 669 OD1 ASP A 49 0.592 18.031 -23.551 1.00 0.00 O ATOM 670 OD2 ASP A 49 2.795 17.892 -23.836 1.00 0.00 O ATOM 0 H ASP A 49 3.559 17.683 -20.295 1.00 0.00 H new ATOM 0 HA ASP A 49 0.636 17.674 -20.806 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.768 16.032 -22.196 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.040 15.769 -22.320 1.00 0.00 H new ATOM 675 N PHE A 50 0.472 15.968 -19.009 1.00 0.00 N ATOM 676 CA PHE A 50 0.281 15.047 -17.902 1.00 0.00 C ATOM 677 C PHE A 50 -0.177 13.674 -18.426 1.00 0.00 C ATOM 678 O PHE A 50 -0.754 13.618 -19.512 1.00 0.00 O ATOM 679 CB PHE A 50 -0.754 15.665 -16.961 1.00 0.00 C ATOM 680 CG PHE A 50 -0.458 17.089 -16.510 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.388 17.325 -15.408 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.019 18.184 -17.197 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.646 18.643 -14.980 1.00 0.00 C ATOM 684 CE2 PHE A 50 -0.758 19.498 -16.771 1.00 0.00 C ATOM 685 CZ PHE A 50 0.063 19.730 -15.653 1.00 0.00 C ATOM 0 H PHE A 50 -0.372 16.492 -19.240 1.00 0.00 H new ATOM 0 HA PHE A 50 1.214 14.885 -17.363 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.724 15.653 -17.457 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.840 15.033 -16.077 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.840 16.493 -14.889 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.652 18.013 -18.055 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.293 18.818 -14.133 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.189 20.332 -17.304 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.245 20.739 -15.313 1.00 0.00 H new ATOM 695 N PRO A 51 0.075 12.566 -17.698 1.00 0.00 N ATOM 696 CA PRO A 51 -0.322 11.214 -18.087 1.00 0.00 C ATOM 697 C PRO A 51 -1.766 11.105 -18.588 1.00 0.00 C ATOM 698 O PRO A 51 -1.989 10.709 -19.732 1.00 0.00 O ATOM 699 CB PRO A 51 -0.067 10.330 -16.860 1.00 0.00 C ATOM 700 CG PRO A 51 1.102 11.040 -16.184 1.00 0.00 C ATOM 701 CD PRO A 51 0.794 12.517 -16.431 1.00 0.00 C ATOM 0 HA PRO A 51 0.265 10.891 -18.947 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.940 10.275 -16.210 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.186 9.308 -17.141 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.153 10.811 -15.120 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.058 10.748 -16.619 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.191 12.931 -15.623 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.711 13.105 -16.478 1.00 0.00 H new ATOM 709 N VAL A 52 -2.739 11.459 -17.740 1.00 0.00 N ATOM 710 CA VAL A 52 -4.157 11.424 -18.077 1.00 0.00 C ATOM 711 C VAL A 52 -4.512 12.623 -18.961 1.00 0.00 C ATOM 712 O VAL A 52 -3.854 13.662 -18.896 1.00 0.00 O ATOM 713 CB VAL A 52 -5.020 11.363 -16.803 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.819 10.021 -16.090 1.00 0.00 C ATOM 715 CG2 VAL A 52 -4.729 12.521 -15.838 1.00 0.00 C ATOM 0 H VAL A 52 -2.556 11.781 -16.790 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.370 10.518 -18.645 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.059 11.459 -17.117 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.435 9.991 -15.191 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.109 9.208 -16.756 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.770 9.908 -15.815 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.365 12.429 -14.957 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.682 12.488 -15.535 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.933 13.469 -16.335 1.00 0.00 H new ATOM 725 N ASP A 53 -5.552 12.467 -19.791 1.00 0.00 N ATOM 726 CA ASP A 53 -6.014 13.496 -20.711 1.00 0.00 C ATOM 727 C ASP A 53 -6.905 14.503 -19.981 1.00 0.00 C ATOM 728 O ASP A 53 -6.436 15.581 -19.617 1.00 0.00 O ATOM 729 CB ASP A 53 -6.714 12.846 -21.914 1.00 0.00 C ATOM 730 CG ASP A 53 -5.752 11.954 -22.697 1.00 0.00 C ATOM 731 OD1 ASP A 53 -4.916 12.524 -23.431 1.00 0.00 O ATOM 732 OD2 ASP A 53 -5.863 10.718 -22.542 1.00 0.00 O ATOM 0 H ASP A 53 -6.099 11.607 -19.837 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.161 14.054 -21.097 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.563 12.255 -21.569 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.111 13.621 -22.570 1.00 0.00 H new ATOM 737 N GLY A 54 -8.182 14.159 -19.764 1.00 0.00 N ATOM 738 CA GLY A 54 -9.128 15.021 -19.074 1.00 0.00 C ATOM 739 C GLY A 54 -10.475 14.313 -18.869 1.00 0.00 C ATOM 740 O GLY A 54 -10.663 13.225 -19.413 1.00 0.00 O ATOM 0 H GLY A 54 -8.581 13.270 -20.066 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.718 15.316 -18.108 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.278 15.935 -19.649 1.00 0.00 H new ATOM 744 N PRO A 55 -11.421 14.883 -18.094 1.00 0.00 N ATOM 745 CA PRO A 55 -11.343 16.136 -17.344 1.00 0.00 C ATOM 746 C PRO A 55 -10.179 16.162 -16.349 1.00 0.00 C ATOM 747 O PRO A 55 -9.689 15.114 -15.929 1.00 0.00 O ATOM 748 CB PRO A 55 -12.692 16.297 -16.636 1.00 0.00 C ATOM 749 CG PRO A 55 -13.637 15.411 -17.443 1.00 0.00 C ATOM 750 CD PRO A 55 -12.723 14.271 -17.886 1.00 0.00 C ATOM 0 HA PRO A 55 -11.146 16.967 -18.021 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.637 15.979 -15.595 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.021 17.336 -16.635 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.471 15.052 -16.840 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.064 15.942 -18.293 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.674 13.489 -17.128 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.090 13.806 -18.801 1.00 0.00 H new ATOM 758 N TYR A 56 -9.745 17.368 -15.961 1.00 0.00 N ATOM 759 CA TYR A 56 -8.610 17.558 -15.070 1.00 0.00 C ATOM 760 C TYR A 56 -8.798 18.839 -14.264 1.00 0.00 C ATOM 761 O TYR A 56 -9.062 19.905 -14.834 1.00 0.00 O ATOM 762 CB TYR A 56 -7.413 17.621 -16.043 1.00 0.00 C ATOM 763 CG TYR A 56 -6.016 17.735 -15.488 1.00 0.00 C ATOM 764 CD1 TYR A 56 -5.572 16.801 -14.546 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.153 18.755 -15.922 1.00 0.00 C ATOM 766 CE1 TYR A 56 -4.282 16.889 -14.011 1.00 0.00 C ATOM 767 CE2 TYR A 56 -3.853 18.835 -15.399 1.00 0.00 C ATOM 768 CZ TYR A 56 -3.415 17.905 -14.441 1.00 0.00 C ATOM 769 OH TYR A 56 -2.158 17.999 -13.922 1.00 0.00 O ATOM 0 H TYR A 56 -10.179 18.240 -16.262 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.477 16.774 -14.324 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.447 16.725 -16.663 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.573 18.472 -16.705 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.230 16.006 -14.229 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.488 19.474 -16.655 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.954 16.176 -13.269 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.186 19.615 -15.735 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.501 17.977 -14.649 1.00 0.00 H new ATOM 779 N GLN A 57 -8.639 18.705 -12.933 1.00 0.00 N ATOM 780 CA GLN A 57 -8.835 19.784 -11.977 1.00 0.00 C ATOM 781 C GLN A 57 -7.583 20.167 -11.186 1.00 0.00 C ATOM 782 O GLN A 57 -6.683 19.362 -10.950 1.00 0.00 O ATOM 783 CB GLN A 57 -10.039 19.449 -11.082 1.00 0.00 C ATOM 784 CG GLN A 57 -11.255 19.084 -11.956 1.00 0.00 C ATOM 785 CD GLN A 57 -12.616 19.303 -11.294 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.711 19.576 -10.104 1.00 0.00 O ATOM 787 NE2 GLN A 57 -13.690 19.167 -12.075 1.00 0.00 N ATOM 0 H GLN A 57 -8.366 17.825 -12.496 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.052 20.690 -12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.792 18.618 -10.421 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.279 20.301 -10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.215 19.673 -12.872 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.173 18.037 -12.246 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.577 18.939 -13.063 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.624 19.291 -11.684 1.00 0.00 H new ATOM 796 N GLU A 58 -7.572 21.438 -10.770 1.00 0.00 N ATOM 797 CA GLU A 58 -6.540 22.144 -10.041 1.00 0.00 C ATOM 798 C GLU A 58 -6.755 22.024 -8.527 1.00 0.00 C ATOM 799 O GLU A 58 -7.898 21.992 -8.081 1.00 0.00 O ATOM 800 CB GLU A 58 -6.642 23.575 -10.609 1.00 0.00 C ATOM 801 CG GLU A 58 -6.410 24.730 -9.658 1.00 0.00 C ATOM 802 CD GLU A 58 -5.009 24.758 -9.070 1.00 0.00 C ATOM 803 OE1 GLU A 58 -4.046 24.736 -9.868 1.00 0.00 O ATOM 804 OE2 GLU A 58 -4.931 24.809 -7.825 1.00 0.00 O ATOM 0 H GLU A 58 -8.368 22.047 -10.959 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.532 21.748 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.925 23.664 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.635 23.693 -11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.593 25.667 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.135 24.673 -8.846 1.00 0.00 H new ATOM 811 N PHE A 59 -5.670 21.944 -7.734 1.00 0.00 N ATOM 812 CA PHE A 59 -5.743 21.844 -6.282 1.00 0.00 C ATOM 813 C PHE A 59 -4.527 22.549 -5.667 1.00 0.00 C ATOM 814 O PHE A 59 -3.412 22.049 -5.756 1.00 0.00 O ATOM 815 CB PHE A 59 -5.842 20.384 -5.856 1.00 0.00 C ATOM 816 CG PHE A 59 -6.502 20.304 -4.509 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.905 20.329 -4.446 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.736 20.223 -3.333 1.00 0.00 C ATOM 819 CE1 PHE A 59 -8.546 20.262 -3.206 1.00 0.00 C ATOM 820 CE2 PHE A 59 -6.384 20.148 -2.090 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.787 20.162 -2.027 1.00 0.00 C ATOM 0 H PHE A 59 -4.716 21.948 -8.095 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.642 22.341 -5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.416 19.817 -6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.849 19.937 -5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.487 20.400 -5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.657 20.219 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.624 20.287 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.804 20.080 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.284 20.096 -1.070 1.00 0.00 H new ATOM 831 N PRO A 60 -4.696 23.699 -5.008 1.00 0.00 N ATOM 832 CA PRO A 60 -3.583 24.457 -4.485 1.00 0.00 C ATOM 833 C PRO A 60 -2.969 23.936 -3.178 1.00 0.00 C ATOM 834 O PRO A 60 -3.690 23.448 -2.307 1.00 0.00 O ATOM 835 CB PRO A 60 -4.149 25.861 -4.420 1.00 0.00 C ATOM 836 CG PRO A 60 -5.561 25.612 -3.901 1.00 0.00 C ATOM 837 CD PRO A 60 -5.948 24.358 -4.688 1.00 0.00 C ATOM 0 HA PRO A 60 -2.699 24.383 -5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.575 26.501 -3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.153 26.345 -5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.580 25.445 -2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.229 26.449 -4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.594 23.708 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.498 24.617 -5.593 1.00 0.00 H new ATOM 845 N ILE A 61 -1.629 24.037 -3.059 1.00 0.00 N ATOM 846 CA ILE A 61 -0.852 23.617 -1.893 1.00 0.00 C ATOM 847 C ILE A 61 -0.046 24.763 -1.305 1.00 0.00 C ATOM 848 O ILE A 61 -0.224 25.947 -1.584 1.00 0.00 O ATOM 849 CB ILE A 61 0.068 22.425 -2.212 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.233 21.329 -1.128 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.338 22.810 -2.973 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.585 19.997 -1.774 1.00 0.00 C ATOM 0 H ILE A 61 -1.047 24.427 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.576 23.294 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.528 21.864 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.014 21.618 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.690 21.231 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.934 21.917 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.067 23.272 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.918 23.516 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.698 19.236 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.211 19.703 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.520 20.096 -2.325 1.00 0.00 H new ATOM 864 N LYS A 62 0.856 24.278 -0.473 1.00 0.00 N ATOM 865 CA LYS A 62 1.851 24.966 0.342 1.00 0.00 C ATOM 866 C LYS A 62 2.936 23.965 0.766 1.00 0.00 C ATOM 867 O LYS A 62 2.877 22.791 0.404 1.00 0.00 O ATOM 868 CB LYS A 62 1.123 25.618 1.532 1.00 0.00 C ATOM 869 CG LYS A 62 1.948 26.620 2.345 1.00 0.00 C ATOM 870 CD LYS A 62 1.025 27.425 3.264 1.00 0.00 C ATOM 871 CE LYS A 62 1.848 28.412 4.094 1.00 0.00 C ATOM 872 NZ LYS A 62 0.994 29.211 4.989 1.00 0.00 N ATOM 0 H LYS A 62 0.919 23.270 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 62 2.358 25.757 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.235 26.126 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.780 24.829 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.697 26.093 2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.485 27.291 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.286 27.963 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.476 26.752 3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.585 27.867 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.400 29.076 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.585 29.869 5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.307 29.750 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.486 28.579 5.640 1.00 0.00 H new ATOM 886 N SER A 63 3.939 24.416 1.530 1.00 0.00 N ATOM 887 CA SER A 63 5.003 23.565 2.041 1.00 0.00 C ATOM 888 C SER A 63 4.517 22.975 3.368 1.00 0.00 C ATOM 889 O SER A 63 5.095 23.218 4.427 1.00 0.00 O ATOM 890 CB SER A 63 6.299 24.372 2.179 1.00 0.00 C ATOM 891 OG SER A 63 7.371 23.525 2.536 1.00 0.00 O ATOM 0 H SER A 63 4.029 25.393 1.809 1.00 0.00 H new ATOM 0 HA SER A 63 5.232 22.747 1.359 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.523 24.876 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.173 25.148 2.934 1.00 0.00 H new ATOM 0 HG SER A 63 7.771 23.144 1.726 1.00 0.00 H new ATOM 897 N GLY A 64 3.428 22.200 3.282 1.00 0.00 N ATOM 898 CA GLY A 64 2.769 21.545 4.396 1.00 0.00 C ATOM 899 C GLY A 64 1.575 22.387 4.831 1.00 0.00 C ATOM 900 O GLY A 64 1.577 22.952 5.923 1.00 0.00 O ATOM 0 H GLY A 64 2.970 22.010 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.440 20.547 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.465 21.422 5.226 1.00 0.00 H new ATOM 904 N GLY A 65 0.554 22.468 3.967 1.00 0.00 N ATOM 905 CA GLY A 65 -0.649 23.239 4.228 1.00 0.00 C ATOM 906 C GLY A 65 -1.664 23.037 3.106 1.00 0.00 C ATOM 907 O GLY A 65 -1.539 23.640 2.041 1.00 0.00 O ATOM 0 H GLY A 65 0.549 21.994 3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.084 22.935 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.399 24.296 4.315 1.00 0.00 H new ATOM 911 N VAL A 66 -2.673 22.195 3.359 1.00 0.00 N ATOM 912 CA VAL A 66 -3.738 21.893 2.413 1.00 0.00 C ATOM 913 C VAL A 66 -4.834 22.961 2.530 1.00 0.00 C ATOM 914 O VAL A 66 -5.238 23.310 3.638 1.00 0.00 O ATOM 915 CB VAL A 66 -4.236 20.456 2.645 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.062 20.284 3.926 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.028 19.964 1.434 1.00 0.00 C ATOM 0 H VAL A 66 -2.768 21.699 4.245 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.379 21.929 1.385 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.342 19.846 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.377 19.245 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.456 20.558 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.941 20.927 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.373 18.946 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.887 20.615 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.389 19.980 0.551 1.00 0.00 H new ATOM 927 N TYR A 67 -5.299 23.475 1.380 1.00 0.00 N ATOM 928 CA TYR A 67 -6.316 24.518 1.250 1.00 0.00 C ATOM 929 C TYR A 67 -6.124 25.682 2.231 1.00 0.00 C ATOM 930 O TYR A 67 -7.074 26.137 2.864 1.00 0.00 O ATOM 931 CB TYR A 67 -7.752 23.949 1.198 1.00 0.00 C ATOM 932 CG TYR A 67 -8.169 22.916 2.235 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.392 23.268 3.581 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.353 21.578 1.837 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.786 22.293 4.514 1.00 0.00 C ATOM 936 CE2 TYR A 67 -8.749 20.603 2.767 1.00 0.00 C ATOM 937 CZ TYR A 67 -8.968 20.960 4.108 1.00 0.00 C ATOM 938 OH TYR A 67 -9.364 20.018 5.013 1.00 0.00 O ATOM 0 H TYR A 67 -4.956 23.155 0.474 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.163 24.973 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.443 24.789 1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.896 23.505 0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.260 24.292 3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.188 21.299 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.949 22.569 5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.885 19.579 2.451 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.443 19.149 4.567 1.00 0.00 H new ATOM 948 N THR A 68 -4.883 26.174 2.347 1.00 0.00 N ATOM 949 CA THR A 68 -4.527 27.270 3.240 1.00 0.00 C ATOM 950 C THR A 68 -3.353 28.068 2.666 1.00 0.00 C ATOM 951 O THR A 68 -2.655 27.598 1.767 1.00 0.00 O ATOM 952 CB THR A 68 -4.280 26.747 4.661 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.198 27.817 5.579 1.00 0.00 O ATOM 954 CG2 THR A 68 -2.996 25.932 4.723 1.00 0.00 C ATOM 0 H THR A 68 -4.092 25.813 1.813 1.00 0.00 H new ATOM 0 HA THR A 68 -5.361 27.968 3.315 1.00 0.00 H new ATOM 0 HB THR A 68 -5.121 26.107 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.042 27.464 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.842 25.572 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.071 25.082 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.153 26.558 4.428 1.00 0.00 H new ATOM 962 N GLY A 69 -3.143 29.279 3.197 1.00 0.00 N ATOM 963 CA GLY A 69 -2.094 30.191 2.771 1.00 0.00 C ATOM 964 C GLY A 69 -2.619 31.149 1.704 1.00 0.00 C ATOM 965 O GLY A 69 -3.580 30.838 1.000 1.00 0.00 O ATOM 0 H GLY A 69 -3.716 29.653 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.726 30.757 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.250 29.625 2.377 1.00 0.00 H new ATOM 969 N GLY A 70 -1.980 32.318 1.581 1.00 0.00 N ATOM 970 CA GLY A 70 -2.377 33.331 0.620 1.00 0.00 C ATOM 971 C GLY A 70 -1.454 34.542 0.716 1.00 0.00 C ATOM 972 O GLY A 70 -1.759 35.497 1.429 1.00 0.00 O ATOM 0 H GLY A 70 -1.174 32.580 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.343 32.919 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.407 33.635 0.806 1.00 0.00 H new ATOM 976 N SER A 71 -0.328 34.490 -0.005 1.00 0.00 N ATOM 977 CA SER A 71 0.668 35.551 -0.055 1.00 0.00 C ATOM 978 C SER A 71 1.330 35.556 -1.439 1.00 0.00 C ATOM 979 O SER A 71 1.091 36.498 -2.194 1.00 0.00 O ATOM 980 CB SER A 71 1.641 35.460 1.131 1.00 0.00 C ATOM 981 OG SER A 71 1.024 35.948 2.303 1.00 0.00 O ATOM 0 H SER A 71 -0.084 33.685 -0.582 1.00 0.00 H new ATOM 0 HA SER A 71 0.195 36.526 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.952 34.426 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.541 36.036 0.918 1.00 0.00 H new ATOM 0 HG SER A 71 0.053 35.974 2.175 1.00 0.00 H new ATOM 987 N PRO A 72 2.140 34.549 -1.818 1.00 0.00 N ATOM 988 CA PRO A 72 2.675 34.454 -3.167 1.00 0.00 C ATOM 989 C PRO A 72 1.574 34.083 -4.168 1.00 0.00 C ATOM 990 O PRO A 72 1.479 34.704 -5.226 1.00 0.00 O ATOM 991 CB PRO A 72 3.775 33.392 -3.104 1.00 0.00 C ATOM 992 CG PRO A 72 3.321 32.477 -1.970 1.00 0.00 C ATOM 993 CD PRO A 72 2.619 33.439 -1.009 1.00 0.00 C ATOM 0 HA PRO A 72 3.077 35.407 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.865 32.850 -4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.749 33.835 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.646 31.698 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.164 31.975 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.792 32.944 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.306 33.788 -0.238 1.00 0.00 H new ATOM 1001 N GLY A 73 0.740 33.086 -3.834 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.341 32.606 -4.684 1.00 0.00 C ATOM 1003 C GLY A 73 0.239 32.066 -5.988 1.00 0.00 C ATOM 1004 O GLY A 73 -0.114 32.543 -7.065 1.00 0.00 O ATOM 0 H GLY A 73 0.806 32.587 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.901 31.824 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.041 33.415 -4.892 1.00 0.00 H new ATOM 1008 N ALA A 74 1.124 31.067 -5.869 1.00 0.00 N ATOM 1009 CA ALA A 74 1.811 30.443 -6.988 1.00 0.00 C ATOM 1010 C ALA A 74 1.708 28.920 -6.947 1.00 0.00 C ATOM 1011 O ALA A 74 1.191 28.335 -7.890 1.00 0.00 O ATOM 1012 CB ALA A 74 3.278 30.904 -6.958 1.00 0.00 C ATOM 0 H ALA A 74 1.382 30.667 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 74 1.338 30.750 -7.921 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.819 30.450 -7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.320 31.990 -7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.736 30.599 -6.017 1.00 0.00 H new ATOM 1018 N ASP A 75 2.186 28.301 -5.862 1.00 0.00 N ATOM 1019 CA ASP A 75 2.245 26.865 -5.593 1.00 0.00 C ATOM 1020 C ASP A 75 0.920 26.087 -5.642 1.00 0.00 C ATOM 1021 O ASP A 75 0.085 26.244 -4.748 1.00 0.00 O ATOM 1022 CB ASP A 75 2.852 26.707 -4.198 1.00 0.00 C ATOM 1023 CG ASP A 75 4.240 27.338 -4.072 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.132 26.928 -4.847 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.387 28.220 -3.199 1.00 0.00 O ATOM 0 H ASP A 75 2.573 28.839 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 75 2.833 26.432 -6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.185 27.161 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.918 25.646 -3.955 1.00 0.00 H new ATOM 1030 N ARG A 76 0.725 25.235 -6.666 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.501 24.453 -6.820 1.00 0.00 C ATOM 1032 C ARG A 76 -0.312 23.081 -7.476 1.00 0.00 C ATOM 1033 O ARG A 76 0.172 23.001 -8.604 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.540 25.251 -7.630 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.803 26.669 -7.105 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.941 27.376 -7.844 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.783 28.833 -7.750 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.602 29.740 -8.303 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.702 29.363 -8.972 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.310 31.042 -8.191 1.00 0.00 N ATOM 0 H ARG A 76 1.413 25.075 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.845 24.264 -5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.203 25.317 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.480 24.699 -7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.042 26.619 -6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.892 27.261 -7.199 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.949 27.071 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.900 27.079 -7.418 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.985 29.184 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.927 28.373 -9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.313 30.067 -9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.472 31.335 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.926 31.740 -8.608 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.708 21.998 -6.781 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.624 20.641 -7.324 1.00 0.00 C ATOM 1056 C VAL A 77 -1.850 20.464 -8.224 1.00 0.00 C ATOM 1057 O VAL A 77 -2.813 21.217 -8.104 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.517 19.542 -6.249 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.753 19.715 -5.416 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.729 19.447 -5.317 1.00 0.00 C ATOM 0 H VAL A 77 -1.091 22.044 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 77 0.302 20.526 -7.888 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.480 18.606 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.805 18.927 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.626 19.655 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.735 20.687 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.569 18.649 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.859 20.393 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.623 19.232 -5.903 1.00 0.00 H new ATOM 1070 N VAL A 78 -1.849 19.497 -9.145 1.00 0.00 N ATOM 1071 CA VAL A 78 -2.984 19.313 -10.036 1.00 0.00 C ATOM 1072 C VAL A 78 -3.219 17.805 -10.230 1.00 0.00 C ATOM 1073 O VAL A 78 -2.307 17.059 -10.602 1.00 0.00 O ATOM 1074 CB VAL A 78 -2.698 20.138 -11.299 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -3.862 20.100 -12.283 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -2.433 21.635 -11.003 1.00 0.00 C ATOM 0 H VAL A 78 -1.082 18.840 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.932 19.682 -9.644 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.806 19.675 -11.721 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.616 20.697 -13.161 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.049 19.070 -12.585 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.754 20.506 -11.807 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.238 22.162 -11.937 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.306 22.070 -10.517 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.568 21.728 -10.346 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.470 17.379 -9.978 1.00 0.00 N ATOM 1087 CA ILE A 79 -4.914 15.989 -10.040 1.00 0.00 C ATOM 1088 C ILE A 79 -5.988 15.744 -11.107 1.00 0.00 C ATOM 1089 O ILE A 79 -6.490 16.682 -11.726 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.423 15.573 -8.641 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.747 16.266 -8.268 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.389 15.879 -7.544 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.555 15.428 -7.273 1.00 0.00 C ATOM 0 H ILE A 79 -5.219 18.020 -9.718 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.063 15.376 -10.335 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.589 14.497 -8.700 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.538 17.245 -7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.338 16.434 -9.168 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.784 15.572 -6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.468 15.333 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.181 16.949 -7.528 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.483 15.946 -7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.785 14.459 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.973 15.282 -6.363 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.347 14.464 -11.301 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.339 14.024 -12.274 1.00 0.00 C ATOM 1107 C ASN A 80 -8.753 14.238 -11.753 1.00 0.00 C ATOM 1108 O ASN A 80 -8.954 14.960 -10.775 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.044 12.590 -12.750 1.00 0.00 C ATOM 1110 CG ASN A 80 -7.668 11.477 -11.904 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -7.987 11.668 -10.734 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -7.850 10.304 -12.517 1.00 0.00 N ATOM 0 H ASN A 80 -5.941 13.695 -10.769 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.267 14.646 -13.166 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.398 12.486 -13.776 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.964 12.446 -12.769 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.269 9.524 -12.011 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.570 10.189 -13.491 1.00 0.00 H new ATOM 1119 N THR A 81 -9.722 13.593 -12.415 1.00 0.00 N ATOM 1120 CA THR A 81 -11.129 13.707 -12.088 1.00 0.00 C ATOM 1121 C THR A 81 -11.726 12.626 -11.201 1.00 0.00 C ATOM 1122 O THR A 81 -12.866 12.199 -11.369 1.00 0.00 O ATOM 1123 CB THR A 81 -11.896 14.176 -13.346 1.00 0.00 C ATOM 1124 OG1 THR A 81 -12.378 15.490 -13.186 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.968 13.250 -13.931 1.00 0.00 C ATOM 0 H THR A 81 -9.537 12.971 -13.202 1.00 0.00 H new ATOM 0 HA THR A 81 -11.263 14.496 -11.348 1.00 0.00 H new ATOM 0 HB THR A 81 -11.126 14.140 -14.116 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.935 15.538 -12.381 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.414 13.719 -14.808 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.513 12.302 -14.218 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.740 13.070 -13.183 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.934 12.186 -10.225 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.392 11.215 -9.266 1.00 0.00 C ATOM 1135 C ASN A 82 -10.463 11.317 -8.073 1.00 0.00 C ATOM 1136 O ASN A 82 -10.792 11.925 -7.056 1.00 0.00 O ATOM 1137 CB ASN A 82 -11.458 9.804 -9.879 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.791 8.736 -8.835 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.497 9.005 -7.866 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.282 7.516 -9.030 1.00 0.00 N ATOM 0 H ASN A 82 -9.972 12.495 -10.088 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.415 11.416 -8.947 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.211 9.787 -10.667 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.502 9.567 -10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.476 6.770 -8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.700 7.331 -9.847 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.292 10.709 -8.255 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.252 10.619 -7.244 1.00 0.00 C ATOM 1149 C CYS A 83 -6.875 10.242 -7.795 1.00 0.00 C ATOM 1150 O CYS A 83 -6.384 9.170 -7.445 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.699 9.692 -6.094 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.665 9.771 -4.600 1.00 0.00 S ATOM 0 H CYS A 83 -9.039 10.256 -9.133 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.117 11.625 -6.846 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.724 9.943 -5.822 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -8.708 8.665 -6.458 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.238 11.059 -8.646 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.907 10.696 -9.141 1.00 0.00 C ATOM 1159 C GLU A 84 -3.997 11.895 -9.393 1.00 0.00 C ATOM 1160 O GLU A 84 -4.325 12.751 -10.211 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.029 9.864 -10.425 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.706 9.187 -10.801 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.782 8.602 -12.207 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.242 7.445 -12.323 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -3.385 9.329 -13.144 1.00 0.00 O ATOM 0 H GLU A 84 -6.607 11.944 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.440 10.110 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.800 9.105 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.352 10.507 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.893 9.911 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.479 8.397 -10.085 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.850 11.943 -8.698 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.862 12.998 -8.867 1.00 0.00 C ATOM 1174 C TYR A 85 -1.308 12.854 -10.278 1.00 0.00 C ATOM 1175 O TYR A 85 -0.801 11.785 -10.619 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.731 12.871 -7.828 1.00 0.00 C ATOM 1177 CG TYR A 85 0.472 13.774 -8.085 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.456 13.386 -9.016 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.611 15.005 -7.413 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.561 14.211 -9.276 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.720 15.832 -7.675 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.694 15.437 -8.607 1.00 0.00 C ATOM 1183 OH TYR A 85 3.776 16.230 -8.859 1.00 0.00 O ATOM 0 H TYR A 85 -2.589 11.244 -8.002 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.317 13.977 -8.719 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.135 13.098 -6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.393 11.835 -7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.359 12.444 -9.535 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.135 15.315 -6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.309 13.902 -9.991 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.822 16.774 -7.157 1.00 0.00 H new ATOM 0 HH TYR A 85 4.077 16.090 -9.781 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.415 13.910 -11.095 1.00 0.00 N ATOM 1194 CA ALA A 86 -0.891 13.869 -12.455 1.00 0.00 C ATOM 1195 C ALA A 86 0.419 14.656 -12.531 1.00 0.00 C ATOM 1196 O ALA A 86 1.352 14.229 -13.209 1.00 0.00 O ATOM 1197 CB ALA A 86 -1.943 14.368 -13.438 1.00 0.00 C ATOM 0 H ALA A 86 -1.856 14.792 -10.836 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.662 12.841 -12.736 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.541 14.333 -14.450 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.828 13.734 -13.377 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.214 15.394 -13.191 1.00 0.00 H new ATOM 1203 N GLY A 87 0.491 15.797 -11.833 1.00 0.00 N ATOM 1204 CA GLY A 87 1.680 16.631 -11.799 1.00 0.00 C ATOM 1205 C GLY A 87 1.510 17.774 -10.801 1.00 0.00 C ATOM 1206 O GLY A 87 0.532 17.816 -10.055 1.00 0.00 O ATOM 0 H GLY A 87 -0.282 16.161 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.545 16.028 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.875 17.035 -12.792 1.00 0.00 H new ATOM 1210 N ALA A 88 2.482 18.695 -10.789 1.00 0.00 N ATOM 1211 CA ALA A 88 2.485 19.862 -9.919 1.00 0.00 C ATOM 1212 C ALA A 88 3.096 21.052 -10.649 1.00 0.00 C ATOM 1213 O ALA A 88 4.098 20.911 -11.349 1.00 0.00 O ATOM 1214 CB ALA A 88 3.230 19.560 -8.620 1.00 0.00 C ATOM 0 H ALA A 88 3.299 18.643 -11.397 1.00 0.00 H new ATOM 0 HA ALA A 88 1.458 20.115 -9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.222 20.444 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.740 18.735 -8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.260 19.286 -8.847 1.00 0.00 H new ATOM 1220 N ILE A 89 2.483 22.226 -10.460 1.00 0.00 N ATOM 1221 CA ILE A 89 2.881 23.478 -11.083 1.00 0.00 C ATOM 1222 C ILE A 89 2.945 24.600 -10.038 1.00 0.00 C ATOM 1223 O ILE A 89 2.464 24.440 -8.919 1.00 0.00 O ATOM 1224 CB ILE A 89 1.916 23.786 -12.249 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.455 23.881 -11.770 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.051 22.728 -13.353 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.533 24.235 -12.888 1.00 0.00 C ATOM 0 H ILE A 89 1.672 22.326 -9.849 1.00 0.00 H new ATOM 0 HA ILE A 89 3.885 23.397 -11.499 1.00 0.00 H new ATOM 0 HB ILE A 89 2.193 24.758 -12.657 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.164 22.929 -11.326 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.387 24.633 -10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.364 22.961 -14.166 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.073 22.725 -13.731 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.812 21.745 -12.946 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.542 24.285 -12.479 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.267 25.201 -13.316 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.493 23.471 -13.664 1.00 0.00 H new ATOM 1239 N THR A 90 3.556 25.735 -10.396 1.00 0.00 N ATOM 1240 CA THR A 90 3.689 26.896 -9.528 1.00 0.00 C ATOM 1241 C THR A 90 3.985 28.173 -10.330 1.00 0.00 C ATOM 1242 O THR A 90 4.591 28.084 -11.395 1.00 0.00 O ATOM 1243 CB THR A 90 4.829 26.644 -8.519 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.036 27.785 -7.711 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.143 26.296 -9.243 1.00 0.00 C ATOM 0 H THR A 90 3.977 25.868 -11.315 1.00 0.00 H new ATOM 0 HA THR A 90 2.744 27.042 -9.005 1.00 0.00 H new ATOM 0 HB THR A 90 4.534 25.801 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.052 27.519 -6.768 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.929 26.124 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.002 25.396 -9.841 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.430 27.122 -9.894 1.00 0.00 H new ATOM 1253 N HIS A 91 3.551 29.352 -9.843 1.00 0.00 N ATOM 1254 CA HIS A 91 3.883 30.630 -10.493 1.00 0.00 C ATOM 1255 C HIS A 91 5.321 31.054 -10.108 1.00 0.00 C ATOM 1256 O HIS A 91 5.518 32.159 -9.601 1.00 0.00 O ATOM 1257 CB HIS A 91 2.962 31.835 -10.170 1.00 0.00 C ATOM 1258 CG HIS A 91 1.500 31.760 -10.480 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.641 32.816 -10.217 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.715 30.782 -11.017 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.586 32.443 -10.617 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.606 31.209 -11.118 1.00 0.00 N ATOM 0 H HIS A 91 2.974 29.443 -9.007 1.00 0.00 H new ATOM 0 HA HIS A 91 3.754 30.414 -11.554 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.058 32.040 -9.104 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.362 32.700 -10.698 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.070 29.809 -11.322 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.459 33.074 -10.541 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.405 30.695 -11.490 1.00 0.00 H new ATOM 1270 N THR A 92 6.340 30.210 -10.332 1.00 0.00 N ATOM 1271 CA THR A 92 7.726 30.549 -10.004 1.00 0.00 C ATOM 1272 C THR A 92 8.305 31.435 -11.108 1.00 0.00 C ATOM 1273 O THR A 92 8.280 32.659 -10.995 1.00 0.00 O ATOM 1274 CB THR A 92 8.548 29.279 -9.722 1.00 0.00 C ATOM 1275 OG1 THR A 92 8.021 28.640 -8.578 1.00 0.00 O ATOM 1276 CG2 THR A 92 10.027 29.590 -9.451 1.00 0.00 C ATOM 0 H THR A 92 6.225 29.283 -10.742 1.00 0.00 H new ATOM 0 HA THR A 92 7.767 31.127 -9.081 1.00 0.00 H new ATOM 0 HB THR A 92 8.486 28.645 -10.607 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.537 27.828 -8.390 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.565 28.662 -9.258 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.460 30.086 -10.320 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.108 30.244 -8.583 1.00 0.00 H new ATOM 1284 N GLY A 93 8.824 30.813 -12.171 1.00 0.00 N ATOM 1285 CA GLY A 93 9.400 31.487 -13.326 1.00 0.00 C ATOM 1286 C GLY A 93 8.324 31.976 -14.301 1.00 0.00 C ATOM 1287 O GLY A 93 8.653 32.438 -15.392 1.00 0.00 O ATOM 0 H GLY A 93 8.853 29.796 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.997 32.335 -12.990 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.076 30.806 -13.844 1.00 0.00 H new ATOM 1291 N ALA A 94 7.045 31.863 -13.917 1.00 0.00 N ATOM 1292 CA ALA A 94 5.896 32.286 -14.699 1.00 0.00 C ATOM 1293 C ALA A 94 5.847 33.810 -14.831 1.00 0.00 C ATOM 1294 O ALA A 94 6.493 34.531 -14.072 1.00 0.00 O ATOM 1295 CB ALA A 94 4.638 31.788 -13.989 1.00 0.00 C ATOM 0 H ALA A 94 6.782 31.458 -13.018 1.00 0.00 H new ATOM 0 HA ALA A 94 5.967 31.871 -15.704 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.757 32.091 -14.554 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.667 30.701 -13.918 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.592 32.216 -12.988 1.00 0.00 H new ATOM 1301 N SER A 95 5.062 34.292 -15.802 1.00 0.00 N ATOM 1302 CA SER A 95 4.880 35.714 -16.059 1.00 0.00 C ATOM 1303 C SER A 95 4.139 36.363 -14.887 1.00 0.00 C ATOM 1304 O SER A 95 4.573 37.391 -14.374 1.00 0.00 O ATOM 1305 CB SER A 95 4.104 35.906 -17.366 1.00 0.00 C ATOM 1306 OG SER A 95 3.986 37.278 -17.674 1.00 0.00 O ATOM 0 H SER A 95 4.532 33.693 -16.435 1.00 0.00 H new ATOM 0 HA SER A 95 5.853 36.194 -16.159 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.614 35.388 -18.178 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.113 35.461 -17.276 1.00 0.00 H new ATOM 0 HG SER A 95 3.489 37.384 -18.512 1.00 0.00 H new ATOM 1312 N GLY A 96 3.029 35.743 -14.467 1.00 0.00 N ATOM 1313 CA GLY A 96 2.198 36.226 -13.381 1.00 0.00 C ATOM 1314 C GLY A 96 0.901 35.427 -13.322 1.00 0.00 C ATOM 1315 O GLY A 96 0.533 34.926 -12.263 1.00 0.00 O ATOM 0 H GLY A 96 2.686 34.878 -14.886 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.733 36.137 -12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.977 37.284 -13.524 1.00 0.00 H new ATOM 1319 N ASN A 97 0.216 35.313 -14.466 1.00 0.00 N ATOM 1320 CA ASN A 97 -1.044 34.596 -14.598 1.00 0.00 C ATOM 1321 C ASN A 97 -0.793 33.118 -14.895 1.00 0.00 C ATOM 1322 O ASN A 97 -1.410 32.254 -14.271 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.890 35.240 -15.703 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.147 36.722 -15.434 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.608 37.584 -16.124 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.968 37.019 -14.424 1.00 0.00 N ATOM 0 H ASN A 97 0.535 35.728 -15.341 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.590 34.658 -13.657 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.382 35.128 -16.661 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.842 34.715 -15.784 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.169 37.994 -14.200 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.394 36.271 -13.877 1.00 0.00 H new ATOM 1333 N ASN A 98 0.118 32.829 -15.837 1.00 0.00 N ATOM 1334 CA ASN A 98 0.454 31.471 -16.245 1.00 0.00 C ATOM 1335 C ASN A 98 1.236 30.712 -15.163 1.00 0.00 C ATOM 1336 O ASN A 98 1.374 31.185 -14.035 1.00 0.00 O ATOM 1337 CB ASN A 98 1.097 31.475 -17.644 1.00 0.00 C ATOM 1338 CG ASN A 98 2.404 32.261 -17.735 1.00 0.00 C ATOM 1339 OD1 ASN A 98 3.335 32.025 -16.970 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.479 33.194 -18.687 1.00 0.00 N ATOM 0 H ASN A 98 0.644 33.545 -16.338 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.463 30.891 -16.345 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.285 30.445 -17.947 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.386 31.893 -18.356 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.333 33.741 -18.799 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.683 33.360 -19.303 1.00 0.00 H new ATOM 1347 N PHE A 99 1.743 29.526 -15.517 1.00 0.00 N ATOM 1348 CA PHE A 99 2.473 28.631 -14.630 1.00 0.00 C ATOM 1349 C PHE A 99 3.713 28.010 -15.274 1.00 0.00 C ATOM 1350 O PHE A 99 3.955 28.145 -16.473 1.00 0.00 O ATOM 1351 CB PHE A 99 1.507 27.467 -14.338 1.00 0.00 C ATOM 1352 CG PHE A 99 0.543 27.719 -13.207 1.00 0.00 C ATOM 1353 CD1 PHE A 99 -0.681 28.377 -13.419 1.00 0.00 C ATOM 1354 CD2 PHE A 99 0.886 27.269 -11.926 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -1.544 28.602 -12.333 1.00 0.00 C ATOM 1356 CE2 PHE A 99 0.029 27.487 -10.843 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.178 28.165 -11.047 1.00 0.00 C ATOM 0 H PHE A 99 1.650 29.156 -16.463 1.00 0.00 H new ATOM 0 HA PHE A 99 2.802 29.198 -13.759 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.937 27.250 -15.242 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.092 26.576 -14.108 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.956 28.707 -14.410 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.820 26.749 -11.773 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.485 29.109 -12.485 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.296 27.135 -9.858 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.834 28.354 -10.210 1.00 0.00 H new ATOM 1367 N VAL A 100 4.482 27.321 -14.420 1.00 0.00 N ATOM 1368 CA VAL A 100 5.685 26.561 -14.722 1.00 0.00 C ATOM 1369 C VAL A 100 5.607 25.292 -13.872 1.00 0.00 C ATOM 1370 O VAL A 100 4.868 25.237 -12.893 1.00 0.00 O ATOM 1371 CB VAL A 100 7.002 27.320 -14.516 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.183 28.386 -15.595 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.150 27.908 -13.117 1.00 0.00 C ATOM 0 H VAL A 100 4.255 27.283 -13.426 1.00 0.00 H new ATOM 0 HA VAL A 100 5.708 26.338 -15.789 1.00 0.00 H new ATOM 0 HB VAL A 100 7.803 26.587 -14.612 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.123 28.913 -15.431 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.199 27.912 -16.576 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.356 29.095 -15.548 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.103 28.431 -13.041 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.336 28.608 -12.929 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.116 27.106 -12.380 1.00 0.00 H new ATOM 1383 N GLY A 101 6.381 24.275 -14.244 1.00 0.00 N ATOM 1384 CA GLY A 101 6.395 22.981 -13.570 1.00 0.00 C ATOM 1385 C GLY A 101 7.310 22.856 -12.351 1.00 0.00 C ATOM 1386 O GLY A 101 8.182 23.692 -12.121 1.00 0.00 O ATOM 0 H GLY A 101 7.025 24.328 -15.033 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.377 22.748 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.687 22.222 -14.295 1.00 0.00 H new ATOM 1390 N CYS A 102 7.070 21.787 -11.576 1.00 0.00 N ATOM 1391 CA CYS A 102 7.810 21.390 -10.380 1.00 0.00 C ATOM 1392 C CYS A 102 8.519 20.069 -10.696 1.00 0.00 C ATOM 1393 O CYS A 102 8.475 19.605 -11.836 1.00 0.00 O ATOM 1394 CB CYS A 102 6.888 21.254 -9.162 1.00 0.00 C ATOM 1395 SG CYS A 102 5.835 22.684 -8.798 1.00 0.00 S ATOM 0 H CYS A 102 6.308 21.142 -11.785 1.00 0.00 H new ATOM 0 HA CYS A 102 8.539 22.158 -10.120 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.247 20.385 -9.312 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.504 21.049 -8.286 1.00 0.00 H new ATOM 1400 N SER A 103 9.186 19.453 -9.708 1.00 0.00 N ATOM 1401 CA SER A 103 9.858 18.179 -9.938 1.00 0.00 C ATOM 1402 C SER A 103 8.780 17.108 -10.143 1.00 0.00 C ATOM 1403 O SER A 103 8.053 16.761 -9.215 1.00 0.00 O ATOM 1404 CB SER A 103 10.846 17.845 -8.814 1.00 0.00 C ATOM 1405 OG SER A 103 10.197 17.674 -7.576 1.00 0.00 O ATOM 0 H SER A 103 9.270 19.815 -8.758 1.00 0.00 H new ATOM 0 HA SER A 103 10.474 18.230 -10.836 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.389 16.935 -9.067 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.583 18.643 -8.730 1.00 0.00 H new ATOM 0 HG SER A 103 9.516 16.974 -7.657 1.00 0.00 H new ATOM 1411 N GLY A 104 8.685 16.606 -11.380 1.00 0.00 N ATOM 1412 CA GLY A 104 7.725 15.604 -11.817 1.00 0.00 C ATOM 1413 C GLY A 104 6.691 16.239 -12.753 1.00 0.00 C ATOM 1414 O GLY A 104 5.519 15.865 -12.718 1.00 0.00 O ATOM 0 H GLY A 104 9.306 16.905 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.242 14.793 -12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.225 15.167 -10.953 1.00 0.00 H new ATOM 1418 N THR A 105 7.138 17.195 -13.582 1.00 0.00 N ATOM 1419 CA THR A 105 6.343 17.923 -14.561 1.00 0.00 C ATOM 1420 C THR A 105 7.295 18.372 -15.670 1.00 0.00 C ATOM 1421 O THR A 105 8.009 19.362 -15.512 1.00 0.00 O ATOM 1422 CB THR A 105 5.635 19.115 -13.892 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.690 18.644 -12.956 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.905 20.006 -14.900 1.00 0.00 C ATOM 0 H THR A 105 8.114 17.490 -13.581 1.00 0.00 H new ATOM 0 HA THR A 105 5.559 17.294 -14.983 1.00 0.00 H new ATOM 0 HB THR A 105 6.410 19.709 -13.407 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.468 19.361 -12.326 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.423 20.831 -14.375 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.621 20.403 -15.620 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.150 19.420 -15.424 1.00 0.00 H new ATOM 1432 N ASN A 106 7.305 17.633 -16.786 1.00 0.00 N ATOM 1433 CA ASN A 106 8.154 17.898 -17.938 1.00 0.00 C ATOM 1434 C ASN A 106 7.476 17.312 -19.178 1.00 0.00 C ATOM 1435 O ASN A 106 6.869 18.114 -19.920 1.00 0.00 O ATOM 1436 CB ASN A 106 9.551 17.304 -17.689 1.00 0.00 C ATOM 1437 CG ASN A 106 10.582 17.675 -18.759 1.00 0.00 C ATOM 1438 OD1 ASN A 106 10.245 17.899 -19.920 1.00 0.00 O ATOM 1439 ND2 ASN A 106 11.856 17.743 -18.361 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.404 16.065 -19.253 1.00 0.00 O ATOM 0 H ASN A 106 6.706 16.816 -16.909 1.00 0.00 H new ATOM 0 HA ASN A 106 8.287 18.968 -18.099 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.912 17.643 -16.718 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.470 16.218 -17.638 1.00 0.00 H new ATOM 0 HD21 ASN A 106 12.587 17.988 -19.029 1.00 0.00 H new ATOM 0 HD22 ASN A 106 12.098 17.550 -17.389 1.00 0.00 H new TER 1447 ASN A 106