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 27 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 1 PCA N :NH3+ 180:sc=-0.00681 (180deg=-0.00681) USER MOD Set 2.2: A 4 THR OG1 : rot -120:sc= -0.177 USER MOD Set 2.3: A 85 TYR OH : rot -140:sc= -1.58! USER MOD Set 2.4: A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 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 10 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.44) USER MOD Single : A 11 TYR OH : rot 30:sc= -0.111 USER MOD Single : A 12 SER OG : rot 180:sc= 0.13 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 21 ASN : amide:sc= -0.0724 K(o=-0.072,f=-0.93) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 29 ASN : amide:sc= -1.96! C(o=-2!,f=-7.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0071 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0701 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 66:sc= 0.209 USER MOD Single : A 38 TYR OH : rot 180:sc= 0.256 USER MOD Single : A 40 HIS : no HE2:sc= -1 X(o=-1,f=-1.4) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0573 K(o=-0.057,f=-2.9!) USER MOD Single : A 44 ASN : amide:sc= -0.76 K(o=-0.76,f=-2.2!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 178:sc= 0.831 USER MOD Single : A 57 GLN : amide:sc= -0.72 K(o=-0.72,f=-2.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -61:sc= 0.0958 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 130:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.41 K(o=-0.41,f=0.39) USER MOD Single : A 81 THR OG1 : rot -56:sc= 0.202 USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-6.5!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.33) USER MOD Single : A 98 ASN : amide:sc= -0.068 X(o=-0.068,f=-0.095) USER MOD Single : A 105 THR OG1 : rot 96:sc= 0.366 USER MOD Single : A 106 ASN : amide:sc= 0.757 K(o=0.76,f=-0.14) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 5.014 13.939 -8.766 1.00 0.00 N HETATM 2 CA PCA A 1 5.084 12.673 -8.019 1.00 0.00 C HETATM 3 CB PCA A 1 6.167 11.840 -8.713 1.00 0.00 C HETATM 4 CG PCA A 1 6.096 12.278 -10.181 1.00 0.00 C HETATM 5 CD PCA A 1 5.611 13.721 -10.087 1.00 0.00 C HETATM 6 OE PCA A 1 5.864 14.585 -10.923 1.00 0.00 O HETATM 7 C PCA A 1 5.355 12.874 -6.531 1.00 0.00 C HETATM 8 O PCA A 1 5.242 13.980 -6.011 1.00 0.00 O HETATM 0 H2 PCA A 1 4.828 13.740 -9.770 1.00 0.00 H new HETATM 0 HA PCA A 1 4.123 12.158 -8.036 1.00 0.00 H new HETATM 0 HB2 PCA A 1 7.152 12.033 -8.287 1.00 0.00 H new HETATM 0 HB3 PCA A 1 5.977 10.772 -8.606 1.00 0.00 H new HETATM 0 HG2 PCA A 1 7.068 12.210 -10.670 1.00 0.00 H new HETATM 0 HG3 PCA A 1 5.407 11.657 -10.754 1.00 0.00 H new ATOM 15 N SER A 2 5.738 11.795 -5.844 1.00 0.00 N ATOM 16 CA SER A 2 6.021 11.806 -4.416 1.00 0.00 C ATOM 17 C SER A 2 7.401 12.435 -4.264 1.00 0.00 C ATOM 18 O SER A 2 8.370 11.967 -4.860 1.00 0.00 O ATOM 19 CB SER A 2 6.023 10.367 -3.892 1.00 0.00 C ATOM 20 OG SER A 2 4.730 9.809 -3.987 1.00 0.00 O ATOM 0 H SER A 2 5.860 10.879 -6.275 1.00 0.00 H new ATOM 0 HA SER A 2 5.275 12.366 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.729 9.765 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.358 10.351 -2.855 1.00 0.00 H new ATOM 0 HG SER A 2 4.745 8.889 -3.651 1.00 0.00 H new ATOM 26 N ALA A 3 7.448 13.510 -3.465 1.00 0.00 N ATOM 27 CA ALA A 3 8.610 14.340 -3.185 1.00 0.00 C ATOM 28 C ALA A 3 8.751 15.213 -4.433 1.00 0.00 C ATOM 29 O ALA A 3 9.721 15.100 -5.181 1.00 0.00 O ATOM 30 CB ALA A 3 9.866 13.537 -2.814 1.00 0.00 C ATOM 0 H ALA A 3 6.619 13.837 -2.969 1.00 0.00 H new ATOM 0 HA ALA A 3 8.480 14.949 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.691 14.222 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.668 12.944 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.131 12.875 -3.638 1.00 0.00 H new ATOM 36 N THR A 4 7.758 16.094 -4.625 1.00 0.00 N ATOM 37 CA THR A 4 7.636 16.999 -5.764 1.00 0.00 C ATOM 38 C THR A 4 8.295 18.332 -5.417 1.00 0.00 C ATOM 39 O THR A 4 8.170 18.798 -4.288 1.00 0.00 O ATOM 40 CB THR A 4 6.138 17.117 -6.157 1.00 0.00 C ATOM 41 OG1 THR A 4 5.889 16.628 -7.456 1.00 0.00 O ATOM 42 CG2 THR A 4 5.505 18.508 -6.037 1.00 0.00 C ATOM 0 H THR A 4 6.990 16.195 -3.961 1.00 0.00 H new ATOM 0 HA THR A 4 8.158 16.617 -6.641 1.00 0.00 H new ATOM 0 HB THR A 4 5.657 16.496 -5.401 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.518 17.346 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.459 18.459 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.568 18.849 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.037 19.207 -6.683 1.00 0.00 H new ATOM 50 N THR A 5 9.007 18.946 -6.372 1.00 0.00 N ATOM 51 CA THR A 5 9.690 20.206 -6.174 1.00 0.00 C ATOM 52 C THR A 5 9.222 21.195 -7.241 1.00 0.00 C ATOM 53 O THR A 5 9.345 20.930 -8.437 1.00 0.00 O ATOM 54 CB THR A 5 11.203 19.926 -6.170 1.00 0.00 C ATOM 55 OG1 THR A 5 11.651 19.815 -4.835 1.00 0.00 O ATOM 56 CG2 THR A 5 12.018 20.987 -6.899 1.00 0.00 C ATOM 0 H THR A 5 9.119 18.566 -7.312 1.00 0.00 H new ATOM 0 HA THR A 5 9.454 20.672 -5.217 1.00 0.00 H new ATOM 0 HB THR A 5 11.356 18.993 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.614 19.635 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.075 20.726 -6.857 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.698 21.040 -7.940 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.864 21.955 -6.423 1.00 0.00 H new ATOM 64 N CYS A 6 8.676 22.328 -6.782 1.00 0.00 N ATOM 65 CA CYS A 6 8.183 23.415 -7.611 1.00 0.00 C ATOM 66 C CYS A 6 9.230 24.528 -7.596 1.00 0.00 C ATOM 67 O CYS A 6 9.088 25.521 -6.883 1.00 0.00 O ATOM 68 CB CYS A 6 6.813 23.881 -7.095 1.00 0.00 C ATOM 69 SG CYS A 6 5.389 22.863 -7.582 1.00 0.00 S ATOM 0 H CYS A 6 8.565 22.511 -5.785 1.00 0.00 H new ATOM 0 HA CYS A 6 8.034 23.096 -8.642 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.851 23.920 -6.006 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.643 24.899 -7.444 1.00 0.00 H new ATOM 74 N GLY A 7 10.287 24.334 -8.396 1.00 0.00 N ATOM 75 CA GLY A 7 11.400 25.258 -8.525 1.00 0.00 C ATOM 76 C GLY A 7 12.249 25.231 -7.258 1.00 0.00 C ATOM 77 O GLY A 7 13.101 24.359 -7.102 1.00 0.00 O ATOM 0 H GLY A 7 10.385 23.506 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.010 24.988 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.027 26.267 -8.702 1.00 0.00 H new ATOM 81 N SER A 8 12.004 26.196 -6.366 1.00 0.00 N ATOM 82 CA SER A 8 12.686 26.343 -5.089 1.00 0.00 C ATOM 83 C SER A 8 11.814 25.789 -3.963 1.00 0.00 C ATOM 84 O SER A 8 12.325 25.151 -3.045 1.00 0.00 O ATOM 85 CB SER A 8 12.998 27.827 -4.856 1.00 0.00 C ATOM 86 OG SER A 8 13.699 27.998 -3.643 1.00 0.00 O ATOM 0 H SER A 8 11.301 26.917 -6.524 1.00 0.00 H new ATOM 0 HA SER A 8 13.620 25.780 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.591 28.215 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.071 28.401 -4.832 1.00 0.00 H new ATOM 0 HG SER A 8 13.893 28.949 -3.508 1.00 0.00 H new ATOM 92 N THR A 9 10.499 26.036 -4.042 1.00 0.00 N ATOM 93 CA THR A 9 9.523 25.604 -3.056 1.00 0.00 C ATOM 94 C THR A 9 9.317 24.091 -3.160 1.00 0.00 C ATOM 95 O THR A 9 8.541 23.617 -3.991 1.00 0.00 O ATOM 96 CB THR A 9 8.217 26.391 -3.249 1.00 0.00 C ATOM 97 OG1 THR A 9 8.485 27.776 -3.340 1.00 0.00 O ATOM 98 CG2 THR A 9 7.274 26.168 -2.066 1.00 0.00 C ATOM 0 H THR A 9 10.084 26.555 -4.816 1.00 0.00 H new ATOM 0 HA THR A 9 9.884 25.811 -2.049 1.00 0.00 H new ATOM 0 HB THR A 9 7.751 26.036 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.645 28.264 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.355 26.733 -2.221 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.038 25.107 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.756 26.504 -1.148 1.00 0.00 H new ATOM 106 N ASN A 10 10.023 23.338 -2.308 1.00 0.00 N ATOM 107 CA ASN A 10 9.969 21.883 -2.261 1.00 0.00 C ATOM 108 C ASN A 10 8.731 21.408 -1.498 1.00 0.00 C ATOM 109 O ASN A 10 8.194 22.143 -0.668 1.00 0.00 O ATOM 110 CB ASN A 10 11.264 21.334 -1.651 1.00 0.00 C ATOM 111 CG ASN A 10 11.508 21.854 -0.235 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.151 22.886 -0.055 1.00 0.00 O ATOM 113 ND2 ASN A 10 10.995 21.139 0.771 1.00 0.00 N ATOM 0 H ASN A 10 10.660 23.738 -1.619 1.00 0.00 H new ATOM 0 HA ASN A 10 9.884 21.495 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.220 20.245 -1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.106 21.609 -2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.131 21.444 1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.468 20.288 0.575 1.00 0.00 H new ATOM 120 N TYR A 11 8.283 20.180 -1.791 1.00 0.00 N ATOM 121 CA TYR A 11 7.123 19.561 -1.166 1.00 0.00 C ATOM 122 C TYR A 11 7.351 18.065 -0.965 1.00 0.00 C ATOM 123 O TYR A 11 7.553 17.322 -1.926 1.00 0.00 O ATOM 124 CB TYR A 11 5.872 19.779 -2.023 1.00 0.00 C ATOM 125 CG TYR A 11 5.440 21.222 -2.157 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.033 21.920 -1.008 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.451 21.868 -3.408 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.638 23.260 -1.108 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.033 23.207 -3.507 1.00 0.00 C ATOM 130 CZ TYR A 11 4.626 23.900 -2.355 1.00 0.00 C ATOM 131 OH TYR A 11 4.228 25.198 -2.436 1.00 0.00 O ATOM 0 H TYR A 11 8.732 19.582 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 11 6.976 20.029 -0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.056 19.375 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.050 19.206 -1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.025 21.424 -0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.780 21.337 -4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.342 23.802 -0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.025 23.702 -4.467 1.00 0.00 H new ATOM 0 HH TYR A 11 4.443 25.659 -1.598 1.00 0.00 H new ATOM 141 N SER A 12 7.300 17.646 0.305 1.00 0.00 N ATOM 142 CA SER A 12 7.464 16.277 0.763 1.00 0.00 C ATOM 143 C SER A 12 6.403 15.380 0.158 1.00 0.00 C ATOM 144 O SER A 12 5.362 15.851 -0.292 1.00 0.00 O ATOM 145 CB SER A 12 7.352 16.277 2.294 1.00 0.00 C ATOM 146 OG SER A 12 7.473 14.971 2.819 1.00 0.00 O ATOM 0 H SER A 12 7.134 18.294 1.075 1.00 0.00 H new ATOM 0 HA SER A 12 8.436 15.893 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.128 16.914 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.393 16.703 2.590 1.00 0.00 H new ATOM 0 HG SER A 12 7.399 15.003 3.796 1.00 0.00 H new ATOM 152 N ALA A 13 6.686 14.073 0.140 1.00 0.00 N ATOM 153 CA ALA A 13 5.728 13.095 -0.337 1.00 0.00 C ATOM 154 C ALA A 13 4.494 13.196 0.573 1.00 0.00 C ATOM 155 O ALA A 13 3.420 12.727 0.206 1.00 0.00 O ATOM 156 CB ALA A 13 6.343 11.696 -0.282 1.00 0.00 C ATOM 0 H ALA A 13 7.573 13.677 0.452 1.00 0.00 H new ATOM 0 HA ALA A 13 5.447 13.284 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.618 10.966 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.233 11.665 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.617 11.459 0.746 1.00 0.00 H new ATOM 162 N SER A 14 4.659 13.823 1.755 1.00 0.00 N ATOM 163 CA SER A 14 3.604 14.037 2.729 1.00 0.00 C ATOM 164 C SER A 14 2.719 15.190 2.250 1.00 0.00 C ATOM 165 O SER A 14 1.498 15.087 2.321 1.00 0.00 O ATOM 166 CB SER A 14 4.218 14.346 4.099 1.00 0.00 C ATOM 167 OG SER A 14 3.198 14.507 5.062 1.00 0.00 O ATOM 0 H SER A 14 5.559 14.199 2.053 1.00 0.00 H new ATOM 0 HA SER A 14 2.994 13.139 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.886 13.538 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.820 15.253 4.040 1.00 0.00 H new ATOM 0 HG SER A 14 3.600 14.703 5.934 1.00 0.00 H new ATOM 173 N GLN A 15 3.330 16.279 1.761 1.00 0.00 N ATOM 174 CA GLN A 15 2.640 17.459 1.251 1.00 0.00 C ATOM 175 C GLN A 15 1.847 17.135 -0.012 1.00 0.00 C ATOM 176 O GLN A 15 0.688 17.527 -0.138 1.00 0.00 O ATOM 177 CB GLN A 15 3.669 18.561 0.973 1.00 0.00 C ATOM 178 CG GLN A 15 4.212 19.163 2.275 1.00 0.00 C ATOM 179 CD GLN A 15 3.699 20.584 2.498 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.489 21.520 2.584 1.00 0.00 O ATOM 181 NE2 GLN A 15 2.375 20.748 2.582 1.00 0.00 N ATOM 0 H GLN A 15 4.346 16.359 1.711 1.00 0.00 H new ATOM 0 HA GLN A 15 1.929 17.803 2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.493 18.152 0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.210 19.346 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.920 18.534 3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.302 19.170 2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.755 19.941 2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.984 21.680 2.723 1.00 0.00 H new ATOM 190 N VAL A 16 2.488 16.410 -0.933 1.00 0.00 N ATOM 191 CA VAL A 16 1.912 15.981 -2.200 1.00 0.00 C ATOM 192 C VAL A 16 0.661 15.152 -1.904 1.00 0.00 C ATOM 193 O VAL A 16 -0.416 15.433 -2.425 1.00 0.00 O ATOM 194 CB VAL A 16 2.923 15.114 -2.978 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.287 14.485 -4.219 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.128 15.964 -3.387 1.00 0.00 C ATOM 0 H VAL A 16 3.451 16.099 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 16 1.661 16.854 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 16 3.247 14.306 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.029 13.881 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.451 13.853 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.927 15.272 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.839 15.347 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.795 16.786 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.609 16.366 -2.495 1.00 0.00 H new ATOM 206 N ARG A 17 0.829 14.137 -1.045 1.00 0.00 N ATOM 207 CA ARG A 17 -0.204 13.195 -0.645 1.00 0.00 C ATOM 208 C ARG A 17 -1.307 13.825 0.201 1.00 0.00 C ATOM 209 O ARG A 17 -2.450 13.387 0.110 1.00 0.00 O ATOM 210 CB ARG A 17 0.453 12.011 0.077 1.00 0.00 C ATOM 211 CG ARG A 17 -0.563 10.929 0.464 1.00 0.00 C ATOM 212 CD ARG A 17 0.128 9.623 0.866 1.00 0.00 C ATOM 213 NE ARG A 17 0.727 8.957 -0.300 1.00 0.00 N ATOM 214 CZ ARG A 17 1.134 7.678 -0.342 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.047 6.883 0.736 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.633 7.186 -1.484 1.00 0.00 N ATOM 0 H ARG A 17 1.726 13.950 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.705 12.847 -1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.218 11.575 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.958 12.370 0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.177 11.285 1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.234 10.743 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.901 9.830 1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.594 8.957 1.337 1.00 0.00 H new ATOM 0 HE ARG A 17 0.843 9.513 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.666 7.248 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.362 5.914 0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.701 7.781 -2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.945 6.216 -1.528 1.00 0.00 H new ATOM 230 N ALA A 18 -0.999 14.846 1.011 1.00 0.00 N ATOM 231 CA ALA A 18 -1.999 15.478 1.859 1.00 0.00 C ATOM 232 C ALA A 18 -3.019 16.204 0.986 1.00 0.00 C ATOM 233 O ALA A 18 -4.210 15.889 1.010 1.00 0.00 O ATOM 234 CB ALA A 18 -1.327 16.434 2.849 1.00 0.00 C ATOM 0 H ALA A 18 -0.064 15.247 1.092 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.522 14.718 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.086 16.900 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.629 15.878 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.787 17.205 2.300 1.00 0.00 H new ATOM 240 N ALA A 19 -2.527 17.169 0.203 1.00 0.00 N ATOM 241 CA ALA A 19 -3.357 17.972 -0.678 1.00 0.00 C ATOM 242 C ALA A 19 -4.033 17.113 -1.746 1.00 0.00 C ATOM 243 O ALA A 19 -5.136 17.446 -2.185 1.00 0.00 O ATOM 244 CB ALA A 19 -2.539 19.114 -1.277 1.00 0.00 C ATOM 0 H ALA A 19 -1.537 17.410 0.168 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.161 18.416 -0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.172 19.709 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.154 19.745 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.706 18.704 -1.848 1.00 0.00 H new ATOM 250 N ALA A 20 -3.391 16.010 -2.160 1.00 0.00 N ATOM 251 CA ALA A 20 -3.965 15.128 -3.161 1.00 0.00 C ATOM 252 C ALA A 20 -5.099 14.301 -2.588 1.00 0.00 C ATOM 253 O ALA A 20 -6.186 14.285 -3.161 1.00 0.00 O ATOM 254 CB ALA A 20 -2.901 14.279 -3.859 1.00 0.00 C ATOM 0 H ALA A 20 -2.478 15.717 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.401 15.756 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.377 13.635 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.182 14.932 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.385 13.664 -3.122 1.00 0.00 H new ATOM 260 N ASN A 21 -4.875 13.620 -1.462 1.00 0.00 N ATOM 261 CA ASN A 21 -5.928 12.841 -0.832 1.00 0.00 C ATOM 262 C ASN A 21 -7.087 13.778 -0.457 1.00 0.00 C ATOM 263 O ASN A 21 -8.216 13.313 -0.275 1.00 0.00 O ATOM 264 CB ASN A 21 -5.391 12.110 0.408 1.00 0.00 C ATOM 265 CG ASN A 21 -4.348 11.040 0.078 1.00 0.00 C ATOM 266 OD1 ASN A 21 -4.007 10.818 -1.082 1.00 0.00 O ATOM 267 ND2 ASN A 21 -3.832 10.371 1.112 1.00 0.00 N ATOM 0 H ASN A 21 -3.979 13.596 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.289 12.085 -1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.950 12.839 1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.224 11.645 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.130 9.648 0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.140 10.583 2.061 1.00 0.00 H new ATOM 274 N ALA A 22 -6.818 15.095 -0.366 1.00 0.00 N ATOM 275 CA ALA A 22 -7.835 16.060 0.015 1.00 0.00 C ATOM 276 C ALA A 22 -8.803 16.244 -1.152 1.00 0.00 C ATOM 277 O ALA A 22 -9.936 15.772 -1.056 1.00 0.00 O ATOM 278 CB ALA A 22 -7.194 17.353 0.517 1.00 0.00 C ATOM 0 H ALA A 22 -5.902 15.502 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.422 15.695 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.974 18.061 0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.571 17.137 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.579 17.784 -0.272 1.00 0.00 H new ATOM 284 N ALA A 23 -8.394 16.914 -2.246 1.00 0.00 N ATOM 285 CA ALA A 23 -9.300 17.072 -3.393 1.00 0.00 C ATOM 286 C ALA A 23 -9.801 15.724 -3.910 1.00 0.00 C ATOM 287 O ALA A 23 -10.898 15.669 -4.448 1.00 0.00 O ATOM 288 CB ALA A 23 -8.741 17.914 -4.542 1.00 0.00 C ATOM 0 H ALA A 23 -7.474 17.340 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.142 17.638 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.479 17.974 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.514 18.917 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.831 17.451 -4.923 1.00 0.00 H new ATOM 294 N CYS A 24 -9.029 14.638 -3.775 1.00 0.00 N ATOM 295 CA CYS A 24 -9.483 13.324 -4.213 1.00 0.00 C ATOM 296 C CYS A 24 -10.800 12.989 -3.504 1.00 0.00 C ATOM 297 O CYS A 24 -11.732 12.510 -4.150 1.00 0.00 O ATOM 298 CB CYS A 24 -8.401 12.272 -3.954 1.00 0.00 C ATOM 299 SG CYS A 24 -8.961 10.549 -4.022 1.00 0.00 S ATOM 0 H CYS A 24 -8.094 14.649 -3.368 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.666 13.329 -5.287 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.604 12.407 -4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.966 12.457 -2.972 1.00 0.00 H new ATOM 304 N GLN A 25 -10.876 13.253 -2.190 1.00 0.00 N ATOM 305 CA GLN A 25 -12.060 13.011 -1.379 1.00 0.00 C ATOM 306 C GLN A 25 -12.951 14.253 -1.186 1.00 0.00 C ATOM 307 O GLN A 25 -13.928 14.155 -0.451 1.00 0.00 O ATOM 308 CB GLN A 25 -11.577 12.422 -0.041 1.00 0.00 C ATOM 309 CG GLN A 25 -12.686 11.797 0.813 1.00 0.00 C ATOM 310 CD GLN A 25 -12.105 10.962 1.952 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.094 9.734 1.882 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.625 11.626 3.007 1.00 0.00 N ATOM 0 H GLN A 25 -10.098 13.647 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.713 12.310 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.820 11.664 -0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.092 13.210 0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.320 12.584 1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.321 11.170 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.654 12.645 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.230 11.114 3.795 1.00 0.00 H new ATOM 321 N TYR A 26 -12.656 15.410 -1.808 1.00 0.00 N ATOM 322 CA TYR A 26 -13.474 16.624 -1.672 1.00 0.00 C ATOM 323 C TYR A 26 -13.936 17.252 -2.996 1.00 0.00 C ATOM 324 O TYR A 26 -14.813 18.113 -2.973 1.00 0.00 O ATOM 325 CB TYR A 26 -12.716 17.677 -0.848 1.00 0.00 C ATOM 326 CG TYR A 26 -12.318 17.277 0.564 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.217 16.594 1.408 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.036 17.604 1.042 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.827 16.220 2.704 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.644 17.232 2.339 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.536 16.529 3.168 1.00 0.00 C ATOM 332 OH TYR A 26 -11.155 16.157 4.424 1.00 0.00 O ATOM 0 H TYR A 26 -11.846 15.527 -2.417 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.382 16.299 -1.165 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.812 17.950 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.335 18.572 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.210 16.357 1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.349 18.144 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.519 15.694 3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.658 17.486 2.699 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.233 16.447 4.585 1.00 0.00 H new ATOM 342 N TYR A 27 -13.384 16.838 -4.142 1.00 0.00 N ATOM 343 CA TYR A 27 -13.722 17.388 -5.449 1.00 0.00 C ATOM 344 C TYR A 27 -15.081 16.920 -5.962 1.00 0.00 C ATOM 345 O TYR A 27 -15.911 17.756 -6.317 1.00 0.00 O ATOM 346 CB TYR A 27 -12.630 17.034 -6.474 1.00 0.00 C ATOM 347 CG TYR A 27 -12.960 17.367 -7.922 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.345 18.672 -8.284 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.892 16.365 -8.913 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.664 18.966 -9.621 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.208 16.663 -10.248 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.594 17.963 -10.603 1.00 0.00 C ATOM 353 OH TYR A 27 -13.912 18.247 -11.899 1.00 0.00 O ATOM 0 H TYR A 27 -12.680 16.101 -4.183 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.782 18.469 -5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.714 17.557 -6.199 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.421 15.966 -6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.395 19.448 -7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.595 15.362 -8.643 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.964 19.967 -9.895 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.154 15.891 -11.001 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.808 17.440 -12.446 1.00 0.00 H new ATOM 363 N GLN A 28 -15.310 15.601 -5.998 1.00 0.00 N ATOM 364 CA GLN A 28 -16.552 15.049 -6.519 1.00 0.00 C ATOM 365 C GLN A 28 -17.092 13.900 -5.646 1.00 0.00 C ATOM 366 O GLN A 28 -17.710 12.953 -6.127 1.00 0.00 O ATOM 367 CB GLN A 28 -16.366 14.873 -8.043 1.00 0.00 C ATOM 368 CG GLN A 28 -16.549 13.465 -8.571 1.00 0.00 C ATOM 369 CD GLN A 28 -16.121 13.313 -10.032 1.00 0.00 C ATOM 370 OE1 GLN A 28 -15.876 14.297 -10.730 1.00 0.00 O ATOM 371 NE2 GLN A 28 -16.031 12.065 -10.499 1.00 0.00 N ATOM 0 H GLN A 28 -14.645 14.901 -5.670 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.413 15.712 -6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -17.072 15.527 -8.554 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.366 15.214 -8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.972 12.775 -7.956 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.597 13.180 -8.474 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.242 11.276 -9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.751 11.901 -11.466 1.00 0.00 H new ATOM 380 N ASN A 29 -16.870 13.992 -4.327 1.00 0.00 N ATOM 381 CA ASN A 29 -17.343 12.997 -3.374 1.00 0.00 C ATOM 382 C ASN A 29 -18.859 13.161 -3.199 1.00 0.00 C ATOM 383 O ASN A 29 -19.624 12.271 -3.565 1.00 0.00 O ATOM 384 CB ASN A 29 -16.562 13.094 -2.047 1.00 0.00 C ATOM 385 CG ASN A 29 -16.695 14.439 -1.322 1.00 0.00 C ATOM 386 OD1 ASN A 29 -16.607 15.497 -1.942 1.00 0.00 O ATOM 387 ND2 ASN A 29 -16.920 14.404 -0.005 1.00 0.00 N ATOM 0 H ASN A 29 -16.356 14.762 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 29 -17.158 11.991 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.905 12.302 -1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.507 12.908 -2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.025 15.274 0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.987 13.508 0.477 1.00 0.00 H new ATOM 394 N ASP A 30 -19.262 14.312 -2.648 1.00 0.00 N ATOM 395 CA ASP A 30 -20.617 14.768 -2.362 1.00 0.00 C ATOM 396 C ASP A 30 -20.555 16.127 -1.650 1.00 0.00 C ATOM 397 O ASP A 30 -21.353 16.412 -0.758 1.00 0.00 O ATOM 398 CB ASP A 30 -21.378 13.734 -1.520 1.00 0.00 C ATOM 399 CG ASP A 30 -20.643 13.361 -0.229 1.00 0.00 C ATOM 400 OD1 ASP A 30 -19.790 12.448 -0.299 1.00 0.00 O ATOM 401 OD2 ASP A 30 -20.946 13.990 0.807 1.00 0.00 O ATOM 0 H ASP A 30 -18.576 15.012 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.161 14.884 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.363 14.129 -1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.537 12.834 -2.115 1.00 0.00 H new ATOM 406 N ASP A 31 -19.603 16.965 -2.073 1.00 0.00 N ATOM 407 CA ASP A 31 -19.319 18.289 -1.530 1.00 0.00 C ATOM 408 C ASP A 31 -18.212 18.953 -2.366 1.00 0.00 C ATOM 409 O ASP A 31 -17.831 18.444 -3.421 1.00 0.00 O ATOM 410 CB ASP A 31 -18.886 18.162 -0.053 1.00 0.00 C ATOM 411 CG ASP A 31 -19.133 19.441 0.744 1.00 0.00 C ATOM 412 OD1 ASP A 31 -20.308 19.671 1.106 1.00 0.00 O ATOM 413 OD2 ASP A 31 -18.147 20.174 0.975 1.00 0.00 O ATOM 0 H ASP A 31 -18.980 16.722 -2.843 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.214 18.909 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.429 17.339 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.826 17.910 -0.009 1.00 0.00 H new ATOM 418 N THR A 32 -17.712 20.097 -1.882 1.00 0.00 N ATOM 419 CA THR A 32 -16.650 20.905 -2.467 1.00 0.00 C ATOM 420 C THR A 32 -15.517 21.063 -1.447 1.00 0.00 C ATOM 421 O THR A 32 -14.363 20.794 -1.774 1.00 0.00 O ATOM 422 CB THR A 32 -17.207 22.268 -2.908 1.00 0.00 C ATOM 423 OG1 THR A 32 -17.820 22.947 -1.829 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.219 22.110 -4.048 1.00 0.00 C ATOM 0 H THR A 32 -18.065 20.503 -1.016 1.00 0.00 H new ATOM 0 HA THR A 32 -16.250 20.411 -3.353 1.00 0.00 H new ATOM 0 HB THR A 32 -16.361 22.858 -3.262 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.163 23.811 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.596 23.091 -4.339 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.733 21.640 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.049 21.487 -3.714 1.00 0.00 H new ATOM 432 N ALA A 33 -15.858 21.494 -0.220 1.00 0.00 N ATOM 433 CA ALA A 33 -14.955 21.726 0.906 1.00 0.00 C ATOM 434 C ALA A 33 -13.684 22.451 0.481 1.00 0.00 C ATOM 435 O ALA A 33 -12.557 22.009 0.704 1.00 0.00 O ATOM 436 CB ALA A 33 -14.647 20.421 1.601 1.00 0.00 C ATOM 0 H ALA A 33 -16.828 21.700 0.019 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.460 22.383 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.974 20.605 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.572 19.978 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.173 19.737 0.897 1.00 0.00 H new ATOM 442 N GLY A 34 -13.941 23.586 -0.146 1.00 0.00 N ATOM 443 CA GLY A 34 -12.968 24.509 -0.699 1.00 0.00 C ATOM 444 C GLY A 34 -13.471 25.946 -0.658 1.00 0.00 C ATOM 445 O GLY A 34 -14.586 26.211 -0.209 1.00 0.00 O ATOM 0 H GLY A 34 -14.898 23.907 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.035 24.433 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.746 24.230 -1.729 1.00 0.00 H new ATOM 449 N SER A 35 -12.630 26.865 -1.144 1.00 0.00 N ATOM 450 CA SER A 35 -12.915 28.290 -1.182 1.00 0.00 C ATOM 451 C SER A 35 -14.145 28.560 -2.050 1.00 0.00 C ATOM 452 O SER A 35 -15.183 28.973 -1.536 1.00 0.00 O ATOM 453 CB SER A 35 -11.671 29.047 -1.672 1.00 0.00 C ATOM 454 OG SER A 35 -11.215 28.547 -2.914 1.00 0.00 O ATOM 0 H SER A 35 -11.716 26.627 -1.528 1.00 0.00 H new ATOM 0 HA SER A 35 -13.149 28.652 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.904 30.107 -1.769 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.877 28.962 -0.931 1.00 0.00 H new ATOM 0 HG SER A 35 -10.424 29.050 -3.199 1.00 0.00 H new ATOM 460 N SER A 36 -14.021 28.314 -3.358 1.00 0.00 N ATOM 461 CA SER A 36 -15.081 28.493 -4.335 1.00 0.00 C ATOM 462 C SER A 36 -14.700 27.741 -5.608 1.00 0.00 C ATOM 463 O SER A 36 -15.351 26.759 -5.960 1.00 0.00 O ATOM 464 CB SER A 36 -15.316 29.986 -4.602 1.00 0.00 C ATOM 465 OG SER A 36 -16.324 30.148 -5.574 1.00 0.00 O ATOM 0 H SER A 36 -13.152 27.975 -3.771 1.00 0.00 H new ATOM 0 HA SER A 36 -16.019 28.088 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.605 30.488 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.392 30.453 -4.943 1.00 0.00 H new ATOM 0 HG SER A 36 -16.470 31.103 -5.738 1.00 0.00 H new ATOM 471 N THR A 37 -13.637 28.204 -6.280 1.00 0.00 N ATOM 472 CA THR A 37 -13.132 27.627 -7.516 1.00 0.00 C ATOM 473 C THR A 37 -11.829 26.858 -7.271 1.00 0.00 C ATOM 474 O THR A 37 -10.983 26.817 -8.159 1.00 0.00 O ATOM 475 CB THR A 37 -12.958 28.733 -8.571 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.017 29.690 -8.126 1.00 0.00 O ATOM 477 CG2 THR A 37 -14.287 29.429 -8.886 1.00 0.00 C ATOM 0 H THR A 37 -13.097 29.010 -5.965 1.00 0.00 H new ATOM 0 HA THR A 37 -13.856 26.906 -7.896 1.00 0.00 H new ATOM 0 HB THR A 37 -12.597 28.260 -9.484 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.131 29.276 -8.070 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.123 30.204 -9.635 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.999 28.698 -9.270 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.685 29.881 -7.978 1.00 0.00 H new ATOM 485 N TYR A 38 -11.658 26.263 -6.080 1.00 0.00 N ATOM 486 CA TYR A 38 -10.495 25.473 -5.685 1.00 0.00 C ATOM 487 C TYR A 38 -10.874 24.681 -4.421 1.00 0.00 C ATOM 488 O TYR A 38 -10.948 25.282 -3.350 1.00 0.00 O ATOM 489 CB TYR A 38 -9.261 26.355 -5.382 1.00 0.00 C ATOM 490 CG TYR A 38 -8.692 27.176 -6.530 1.00 0.00 C ATOM 491 CD1 TYR A 38 -7.776 26.623 -7.453 1.00 0.00 C ATOM 492 CD2 TYR A 38 -9.099 28.517 -6.676 1.00 0.00 C ATOM 493 CE1 TYR A 38 -7.290 27.407 -8.512 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.607 29.298 -7.734 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.710 28.741 -8.660 1.00 0.00 C ATOM 496 OH TYR A 38 -7.242 29.498 -9.695 1.00 0.00 O ATOM 0 H TYR A 38 -12.358 26.325 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.225 24.814 -6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.525 27.040 -4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.469 25.709 -5.004 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.450 25.599 -7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.794 28.947 -5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.590 26.983 -9.217 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.918 30.327 -7.836 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.634 30.395 -9.648 1.00 0.00 H new ATOM 506 N PRO A 39 -11.131 23.359 -4.498 1.00 0.00 N ATOM 507 CA PRO A 39 -11.103 22.517 -5.685 1.00 0.00 C ATOM 508 C PRO A 39 -12.155 22.896 -6.728 1.00 0.00 C ATOM 509 O PRO A 39 -13.180 23.495 -6.407 1.00 0.00 O ATOM 510 CB PRO A 39 -11.340 21.080 -5.199 1.00 0.00 C ATOM 511 CG PRO A 39 -11.014 21.135 -3.710 1.00 0.00 C ATOM 512 CD PRO A 39 -11.472 22.542 -3.346 1.00 0.00 C ATOM 0 HA PRO A 39 -10.143 22.639 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.369 20.765 -5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.698 20.371 -5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.549 20.371 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.951 20.988 -3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.543 22.569 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.971 22.900 -2.446 1.00 0.00 H new ATOM 520 N HIS A 40 -11.876 22.521 -7.980 1.00 0.00 N ATOM 521 CA HIS A 40 -12.719 22.745 -9.146 1.00 0.00 C ATOM 522 C HIS A 40 -12.137 21.985 -10.332 1.00 0.00 C ATOM 523 O HIS A 40 -11.004 21.507 -10.268 1.00 0.00 O ATOM 524 CB HIS A 40 -12.795 24.235 -9.507 1.00 0.00 C ATOM 525 CG HIS A 40 -11.521 24.791 -10.102 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.525 25.741 -11.112 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.192 24.554 -9.840 1.00 0.00 C ATOM 528 CE1 HIS A 40 -10.243 26.025 -11.401 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.380 25.333 -10.658 1.00 0.00 N ATOM 0 H HIS A 40 -11.013 22.030 -8.213 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.724 22.394 -8.912 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.610 24.385 -10.215 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.043 24.803 -8.610 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.349 26.149 -11.554 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.828 23.857 -9.099 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.944 26.738 -12.155 1.00 0.00 H new ATOM 537 N THR A 41 -12.918 21.894 -11.413 1.00 0.00 N ATOM 538 CA THR A 41 -12.504 21.228 -12.635 1.00 0.00 C ATOM 539 C THR A 41 -11.387 22.036 -13.295 1.00 0.00 C ATOM 540 O THR A 41 -11.319 23.254 -13.127 1.00 0.00 O ATOM 541 CB THR A 41 -13.707 21.006 -13.558 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.365 20.099 -14.586 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.179 22.318 -14.177 1.00 0.00 C ATOM 0 H THR A 41 -13.859 22.285 -11.457 1.00 0.00 H new ATOM 0 HA THR A 41 -12.106 20.239 -12.409 1.00 0.00 H new ATOM 0 HB THR A 41 -14.519 20.595 -12.957 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.139 19.961 -15.171 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.033 22.127 -14.826 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.471 23.009 -13.386 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.370 22.757 -14.761 1.00 0.00 H new ATOM 551 N TYR A 42 -10.510 21.359 -14.041 1.00 0.00 N ATOM 552 CA TYR A 42 -9.414 22.023 -14.721 1.00 0.00 C ATOM 553 C TYR A 42 -9.939 22.665 -16.002 1.00 0.00 C ATOM 554 O TYR A 42 -10.307 21.964 -16.944 1.00 0.00 O ATOM 555 CB TYR A 42 -8.268 21.044 -14.985 1.00 0.00 C ATOM 556 CG TYR A 42 -7.020 21.720 -15.525 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.925 22.058 -16.887 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.954 22.024 -14.657 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.774 22.696 -17.376 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.801 22.662 -15.146 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.711 23.001 -16.508 1.00 0.00 C ATOM 562 OH TYR A 42 -3.591 23.614 -16.989 1.00 0.00 O ATOM 0 H TYR A 42 -10.545 20.350 -14.185 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.006 22.811 -14.088 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.021 20.525 -14.059 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.601 20.287 -15.696 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.739 21.826 -17.558 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.023 21.766 -13.611 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.705 22.953 -18.423 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.985 22.892 -14.477 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.954 23.754 -16.257 1.00 0.00 H new ATOM 572 N ASN A 43 -9.968 24.003 -15.983 1.00 0.00 N ATOM 573 CA ASN A 43 -10.384 24.946 -17.016 1.00 0.00 C ATOM 574 C ASN A 43 -10.619 24.340 -18.409 1.00 0.00 C ATOM 575 O ASN A 43 -11.739 23.917 -18.685 1.00 0.00 O ATOM 576 CB ASN A 43 -9.411 26.142 -17.012 1.00 0.00 C ATOM 577 CG ASN A 43 -7.932 25.737 -16.972 1.00 0.00 C ATOM 578 OD1 ASN A 43 -7.280 25.651 -18.009 1.00 0.00 O ATOM 579 ND2 ASN A 43 -7.393 25.492 -15.773 1.00 0.00 N ATOM 0 H ASN A 43 -9.665 24.502 -15.147 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.385 25.293 -16.759 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.589 26.746 -17.902 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.629 26.773 -16.150 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.411 25.224 -15.700 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.963 25.573 -14.931 1.00 0.00 H new ATOM 586 N ASN A 44 -9.578 24.316 -19.256 1.00 0.00 N ATOM 587 CA ASN A 44 -9.491 23.832 -20.636 1.00 0.00 C ATOM 588 C ASN A 44 -8.541 24.773 -21.379 1.00 0.00 C ATOM 589 O ASN A 44 -7.569 24.322 -21.983 1.00 0.00 O ATOM 590 CB ASN A 44 -10.834 23.795 -21.395 1.00 0.00 C ATOM 591 CG ASN A 44 -11.670 22.534 -21.165 1.00 0.00 C ATOM 592 OD1 ASN A 44 -11.246 21.601 -20.484 1.00 0.00 O ATOM 593 ND2 ASN A 44 -12.873 22.513 -21.745 1.00 0.00 N ATOM 0 H ASN A 44 -8.675 24.678 -18.951 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.145 22.799 -20.596 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.424 24.663 -21.102 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.634 23.891 -22.462 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.480 21.701 -21.631 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.185 23.309 -22.301 1.00 0.00 H new ATOM 600 N TYR A 45 -8.842 26.078 -21.324 1.00 0.00 N ATOM 601 CA TYR A 45 -8.084 27.139 -21.971 1.00 0.00 C ATOM 602 C TYR A 45 -6.631 27.102 -21.499 1.00 0.00 C ATOM 603 O TYR A 45 -6.372 27.156 -20.298 1.00 0.00 O ATOM 604 CB TYR A 45 -8.750 28.490 -21.682 1.00 0.00 C ATOM 605 CG TYR A 45 -10.205 28.538 -22.111 1.00 0.00 C ATOM 606 CD1 TYR A 45 -10.531 28.563 -23.480 1.00 0.00 C ATOM 607 CD2 TYR A 45 -11.233 28.542 -21.149 1.00 0.00 C ATOM 608 CE1 TYR A 45 -11.876 28.594 -23.886 1.00 0.00 C ATOM 609 CE2 TYR A 45 -12.578 28.574 -21.555 1.00 0.00 C ATOM 610 CZ TYR A 45 -12.901 28.590 -22.924 1.00 0.00 C ATOM 611 OH TYR A 45 -14.208 28.609 -23.317 1.00 0.00 O ATOM 0 H TYR A 45 -9.649 26.428 -20.808 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.079 26.992 -23.051 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.685 28.700 -20.614 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.199 29.278 -22.196 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.745 28.558 -24.221 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.988 28.520 -20.097 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.122 28.621 -24.937 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.365 28.586 -20.815 1.00 0.00 H new ATOM 0 HH TYR A 45 -14.787 28.602 -22.527 1.00 0.00 H new ATOM 621 N GLU A 46 -5.697 27.003 -22.454 1.00 0.00 N ATOM 622 CA GLU A 46 -4.262 26.918 -22.213 1.00 0.00 C ATOM 623 C GLU A 46 -3.977 25.642 -21.417 1.00 0.00 C ATOM 624 O GLU A 46 -3.435 25.691 -20.312 1.00 0.00 O ATOM 625 CB GLU A 46 -3.705 28.195 -21.556 1.00 0.00 C ATOM 626 CG GLU A 46 -3.917 29.423 -22.453 1.00 0.00 C ATOM 627 CD GLU A 46 -3.353 30.692 -21.817 1.00 0.00 C ATOM 628 OE1 GLU A 46 -2.139 30.687 -21.509 1.00 0.00 O ATOM 629 OE2 GLU A 46 -4.142 31.649 -21.654 1.00 0.00 O ATOM 0 H GLU A 46 -5.934 26.980 -23.446 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.731 26.853 -23.163 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.194 28.355 -20.595 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.641 28.068 -21.355 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.438 29.256 -23.418 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.982 29.554 -22.644 1.00 0.00 H new ATOM 636 N GLY A 47 -4.367 24.497 -21.997 1.00 0.00 N ATOM 637 CA GLY A 47 -4.207 23.177 -21.412 1.00 0.00 C ATOM 638 C GLY A 47 -2.729 22.822 -21.283 1.00 0.00 C ATOM 639 O GLY A 47 -2.058 22.609 -22.293 1.00 0.00 O ATOM 0 H GLY A 47 -4.815 24.474 -22.913 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.680 23.149 -20.431 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.712 22.435 -22.031 1.00 0.00 H new ATOM 643 N PHE A 48 -2.234 22.751 -20.040 1.00 0.00 N ATOM 644 CA PHE A 48 -0.841 22.445 -19.744 1.00 0.00 C ATOM 645 C PHE A 48 -0.601 20.927 -19.778 1.00 0.00 C ATOM 646 O PHE A 48 -1.549 20.142 -19.822 1.00 0.00 O ATOM 647 CB PHE A 48 -0.469 23.108 -18.407 1.00 0.00 C ATOM 648 CG PHE A 48 0.982 23.495 -18.141 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.995 23.428 -19.123 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.311 23.954 -16.851 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.311 23.810 -18.810 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.630 24.317 -16.534 1.00 0.00 C ATOM 653 CZ PHE A 48 3.631 24.242 -17.515 1.00 0.00 C ATOM 0 H PHE A 48 -2.802 22.907 -19.207 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.179 22.855 -20.507 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.071 24.011 -18.311 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.779 22.432 -17.610 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.758 23.082 -20.118 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.541 24.028 -16.098 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.078 23.771 -19.569 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.874 24.653 -15.537 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.647 24.517 -17.273 1.00 0.00 H new ATOM 663 N ASP A 49 0.672 20.514 -19.745 1.00 0.00 N ATOM 664 CA ASP A 49 1.104 19.125 -19.810 1.00 0.00 C ATOM 665 C ASP A 49 0.795 18.325 -18.542 1.00 0.00 C ATOM 666 O ASP A 49 1.118 18.764 -17.439 1.00 0.00 O ATOM 667 CB ASP A 49 2.614 19.083 -20.086 1.00 0.00 C ATOM 668 CG ASP A 49 3.001 19.930 -21.297 1.00 0.00 C ATOM 669 OD1 ASP A 49 2.633 19.522 -22.420 1.00 0.00 O ATOM 670 OD2 ASP A 49 3.650 20.977 -21.078 1.00 0.00 O ATOM 0 H ASP A 49 1.452 21.166 -19.670 1.00 0.00 H new ATOM 0 HA ASP A 49 0.540 18.655 -20.616 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.153 19.439 -19.208 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.923 18.051 -20.252 1.00 0.00 H new ATOM 675 N PHE A 50 0.179 17.147 -18.725 1.00 0.00 N ATOM 676 CA PHE A 50 -0.189 16.197 -17.681 1.00 0.00 C ATOM 677 C PHE A 50 -0.484 14.841 -18.332 1.00 0.00 C ATOM 678 O PHE A 50 -1.365 14.788 -19.189 1.00 0.00 O ATOM 679 CB PHE A 50 -1.458 16.607 -16.923 1.00 0.00 C ATOM 680 CG PHE A 50 -1.370 17.853 -16.070 1.00 0.00 C ATOM 681 CD1 PHE A 50 -0.533 17.869 -14.940 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.130 18.993 -16.398 1.00 0.00 C ATOM 683 CE1 PHE A 50 -0.456 19.019 -14.139 1.00 0.00 C ATOM 684 CE2 PHE A 50 -2.051 20.141 -15.594 1.00 0.00 C ATOM 685 CZ PHE A 50 -1.222 20.152 -14.461 1.00 0.00 C ATOM 0 H PHE A 50 -0.086 16.821 -19.654 1.00 0.00 H new ATOM 0 HA PHE A 50 0.644 16.160 -16.979 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.257 16.749 -17.650 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.754 15.777 -16.282 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.051 16.996 -14.688 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.772 18.984 -17.266 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.192 19.033 -13.275 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.629 21.017 -15.847 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.173 21.032 -13.837 1.00 0.00 H new ATOM 695 N PRO A 51 0.222 13.748 -17.980 1.00 0.00 N ATOM 696 CA PRO A 51 -0.050 12.418 -18.519 1.00 0.00 C ATOM 697 C PRO A 51 -1.435 11.914 -18.078 1.00 0.00 C ATOM 698 O PRO A 51 -2.254 12.685 -17.585 1.00 0.00 O ATOM 699 CB PRO A 51 1.053 11.504 -17.964 1.00 0.00 C ATOM 700 CG PRO A 51 2.147 12.466 -17.511 1.00 0.00 C ATOM 701 CD PRO A 51 1.357 13.697 -17.076 1.00 0.00 C ATOM 0 HA PRO A 51 -0.054 12.431 -19.609 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.688 10.898 -17.135 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.419 10.815 -18.725 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.735 12.053 -16.692 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.843 12.696 -18.318 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.033 13.613 -16.039 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.962 14.601 -17.149 1.00 0.00 H new ATOM 709 N VAL A 52 -1.691 10.610 -18.248 1.00 0.00 N ATOM 710 CA VAL A 52 -2.935 9.942 -17.878 1.00 0.00 C ATOM 711 C VAL A 52 -4.024 10.252 -18.909 1.00 0.00 C ATOM 712 O VAL A 52 -4.006 9.649 -19.981 1.00 0.00 O ATOM 713 CB VAL A 52 -3.321 10.191 -16.399 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.542 9.372 -15.967 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.158 9.811 -15.475 1.00 0.00 C ATOM 0 H VAL A 52 -1.010 9.973 -18.662 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.793 8.862 -17.915 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.558 11.252 -16.320 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.771 9.583 -14.922 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.398 9.640 -16.587 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.327 8.310 -16.084 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.443 9.991 -14.438 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.918 8.756 -15.607 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.285 10.415 -15.721 1.00 0.00 H new ATOM 725 N ASP A 53 -4.954 11.177 -18.621 1.00 0.00 N ATOM 726 CA ASP A 53 -6.035 11.516 -19.541 1.00 0.00 C ATOM 727 C ASP A 53 -6.765 12.789 -19.108 1.00 0.00 C ATOM 728 O ASP A 53 -6.694 13.804 -19.800 1.00 0.00 O ATOM 729 CB ASP A 53 -7.025 10.340 -19.655 1.00 0.00 C ATOM 730 CG ASP A 53 -8.190 10.661 -20.588 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.911 10.916 -21.780 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.339 10.643 -20.097 1.00 0.00 O ATOM 0 H ASP A 53 -4.972 11.704 -17.748 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.594 11.706 -20.519 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.500 9.458 -20.021 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.410 10.093 -18.666 1.00 0.00 H new ATOM 737 N GLY A 54 -7.469 12.722 -17.970 1.00 0.00 N ATOM 738 CA GLY A 54 -8.254 13.809 -17.402 1.00 0.00 C ATOM 739 C GLY A 54 -9.747 13.451 -17.460 1.00 0.00 C ATOM 740 O GLY A 54 -10.088 12.320 -17.804 1.00 0.00 O ATOM 0 H GLY A 54 -7.504 11.874 -17.404 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.952 13.988 -16.370 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.069 14.731 -17.953 1.00 0.00 H new ATOM 744 N PRO A 55 -10.658 14.383 -17.121 1.00 0.00 N ATOM 745 CA PRO A 55 -10.390 15.737 -16.658 1.00 0.00 C ATOM 746 C PRO A 55 -9.642 15.741 -15.325 1.00 0.00 C ATOM 747 O PRO A 55 -9.603 14.735 -14.618 1.00 0.00 O ATOM 748 CB PRO A 55 -11.758 16.414 -16.528 1.00 0.00 C ATOM 749 CG PRO A 55 -12.715 15.245 -16.312 1.00 0.00 C ATOM 750 CD PRO A 55 -12.090 14.141 -17.162 1.00 0.00 C ATOM 0 HA PRO A 55 -9.746 16.269 -17.358 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.782 17.112 -15.692 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.012 16.981 -17.424 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.778 14.961 -15.261 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.727 15.484 -16.639 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.333 13.155 -16.765 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.464 14.174 -18.185 1.00 0.00 H new ATOM 758 N TYR A 56 -9.059 16.896 -14.994 1.00 0.00 N ATOM 759 CA TYR A 56 -8.276 17.103 -13.787 1.00 0.00 C ATOM 760 C TYR A 56 -8.995 18.028 -12.810 1.00 0.00 C ATOM 761 O TYR A 56 -10.040 18.595 -13.128 1.00 0.00 O ATOM 762 CB TYR A 56 -6.901 17.662 -14.200 1.00 0.00 C ATOM 763 CG TYR A 56 -6.177 16.855 -15.261 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.442 17.095 -16.623 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.234 15.877 -14.897 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.786 16.347 -17.613 1.00 0.00 C ATOM 767 CE2 TYR A 56 -4.563 15.143 -15.891 1.00 0.00 C ATOM 768 CZ TYR A 56 -4.847 15.370 -17.248 1.00 0.00 C ATOM 769 OH TYR A 56 -4.208 14.655 -18.216 1.00 0.00 O ATOM 0 H TYR A 56 -9.124 17.730 -15.577 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.141 16.157 -13.263 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.034 18.680 -14.566 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.268 17.722 -13.315 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.152 17.857 -16.907 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.025 15.690 -13.854 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.004 16.523 -18.656 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.828 14.403 -15.611 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.566 14.042 -17.800 1.00 0.00 H new ATOM 779 N GLN A 57 -8.416 18.156 -11.611 1.00 0.00 N ATOM 780 CA GLN A 57 -8.924 18.969 -10.519 1.00 0.00 C ATOM 781 C GLN A 57 -7.747 19.655 -9.835 1.00 0.00 C ATOM 782 O GLN A 57 -6.763 18.992 -9.505 1.00 0.00 O ATOM 783 CB GLN A 57 -9.733 18.094 -9.554 1.00 0.00 C ATOM 784 CG GLN A 57 -8.856 17.062 -8.825 1.00 0.00 C ATOM 785 CD GLN A 57 -9.643 15.813 -8.458 1.00 0.00 C ATOM 786 OE1 GLN A 57 -10.177 15.149 -9.339 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.716 15.478 -7.171 1.00 0.00 N ATOM 0 H GLN A 57 -7.548 17.675 -11.374 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.598 19.741 -10.890 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.228 18.729 -8.820 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.516 17.576 -10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.013 16.788 -9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.442 17.510 -7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.258 16.056 -6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.230 14.643 -6.890 1.00 0.00 H new ATOM 796 N GLU A 58 -7.849 20.970 -9.615 1.00 0.00 N ATOM 797 CA GLU A 58 -6.774 21.741 -9.001 1.00 0.00 C ATOM 798 C GLU A 58 -6.940 21.894 -7.492 1.00 0.00 C ATOM 799 O GLU A 58 -8.023 21.687 -6.953 1.00 0.00 O ATOM 800 CB GLU A 58 -6.661 23.124 -9.661 1.00 0.00 C ATOM 801 CG GLU A 58 -6.497 23.037 -11.183 1.00 0.00 C ATOM 802 CD GLU A 58 -6.359 24.415 -11.831 1.00 0.00 C ATOM 803 OE1 GLU A 58 -5.487 25.184 -11.370 1.00 0.00 O ATOM 804 OE2 GLU A 58 -7.126 24.673 -12.785 1.00 0.00 O ATOM 0 H GLU A 58 -8.672 21.521 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.854 21.179 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.551 23.708 -9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.810 23.657 -9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.617 22.438 -11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.357 22.521 -11.610 1.00 0.00 H new ATOM 811 N PHE A 59 -5.835 22.245 -6.821 1.00 0.00 N ATOM 812 CA PHE A 59 -5.772 22.486 -5.387 1.00 0.00 C ATOM 813 C PHE A 59 -4.516 23.321 -5.146 1.00 0.00 C ATOM 814 O PHE A 59 -3.416 22.776 -5.232 1.00 0.00 O ATOM 815 CB PHE A 59 -5.738 21.177 -4.574 1.00 0.00 C ATOM 816 CG PHE A 59 -6.541 21.230 -3.277 1.00 0.00 C ATOM 817 CD1 PHE A 59 -6.755 22.442 -2.595 1.00 0.00 C ATOM 818 CD2 PHE A 59 -7.096 20.054 -2.748 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.523 22.481 -1.423 1.00 0.00 C ATOM 820 CE2 PHE A 59 -7.868 20.092 -1.572 1.00 0.00 C ATOM 821 CZ PHE A 59 -8.094 21.307 -0.915 1.00 0.00 C ATOM 0 H PHE A 59 -4.935 22.371 -7.283 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.667 23.009 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.122 20.367 -5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.702 20.935 -4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.322 23.354 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.929 19.111 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.675 23.419 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.288 19.180 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.703 21.339 -0.024 1.00 0.00 H new ATOM 831 N PRO A 60 -4.623 24.628 -4.857 1.00 0.00 N ATOM 832 CA PRO A 60 -3.454 25.442 -4.651 1.00 0.00 C ATOM 833 C PRO A 60 -2.816 25.105 -3.297 1.00 0.00 C ATOM 834 O PRO A 60 -3.462 25.243 -2.259 1.00 0.00 O ATOM 835 CB PRO A 60 -3.935 26.874 -4.829 1.00 0.00 C ATOM 836 CG PRO A 60 -5.341 26.821 -4.243 1.00 0.00 C ATOM 837 CD PRO A 60 -5.810 25.450 -4.725 1.00 0.00 C ATOM 0 HA PRO A 60 -2.644 25.264 -5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.300 27.585 -4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.943 27.173 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.337 26.896 -3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.973 27.627 -4.616 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.510 25.009 -4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.332 25.532 -5.678 1.00 0.00 H new ATOM 845 N ILE A 61 -1.549 24.663 -3.309 1.00 0.00 N ATOM 846 CA ILE A 61 -0.821 24.266 -2.110 1.00 0.00 C ATOM 847 C ILE A 61 -0.201 25.446 -1.394 1.00 0.00 C ATOM 848 O ILE A 61 -0.376 26.616 -1.730 1.00 0.00 O ATOM 849 CB ILE A 61 0.175 23.122 -2.400 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.872 22.293 -1.297 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.124 23.432 -3.554 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.100 20.842 -1.720 1.00 0.00 C ATOM 0 H ILE A 61 -1.002 24.573 -4.165 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.548 23.859 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.591 22.392 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.829 22.752 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.266 22.314 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.798 22.589 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.547 23.605 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.705 24.323 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.592 20.301 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.141 20.372 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.729 20.817 -2.610 1.00 0.00 H new ATOM 864 N LYS A 62 0.523 25.022 -0.378 1.00 0.00 N ATOM 865 CA LYS A 62 1.302 25.814 0.565 1.00 0.00 C ATOM 866 C LYS A 62 2.352 24.949 1.264 1.00 0.00 C ATOM 867 O LYS A 62 2.260 23.722 1.262 1.00 0.00 O ATOM 868 CB LYS A 62 0.390 26.518 1.584 1.00 0.00 C ATOM 869 CG LYS A 62 0.292 28.031 1.343 1.00 0.00 C ATOM 870 CD LYS A 62 1.608 28.757 1.658 1.00 0.00 C ATOM 871 CE LYS A 62 1.443 30.266 1.463 1.00 0.00 C ATOM 872 NZ LYS A 62 2.709 30.976 1.709 1.00 0.00 N ATOM 0 H LYS A 62 0.590 24.026 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 62 1.826 26.588 0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.607 26.081 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.769 26.338 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.018 28.214 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.505 28.444 1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.910 28.547 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.401 28.384 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.100 30.469 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.675 30.641 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.567 31.997 1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.022 30.800 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.434 30.633 1.046 1.00 0.00 H new ATOM 886 N SER A 63 3.341 25.617 1.873 1.00 0.00 N ATOM 887 CA SER A 63 4.469 25.023 2.574 1.00 0.00 C ATOM 888 C SER A 63 4.088 24.542 3.977 1.00 0.00 C ATOM 889 O SER A 63 4.679 24.963 4.971 1.00 0.00 O ATOM 890 CB SER A 63 5.626 26.031 2.589 1.00 0.00 C ATOM 891 OG SER A 63 6.802 25.431 3.089 1.00 0.00 O ATOM 0 H SER A 63 3.370 26.637 1.886 1.00 0.00 H new ATOM 0 HA SER A 63 4.791 24.127 2.044 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.803 26.405 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.359 26.890 3.205 1.00 0.00 H new ATOM 0 HG SER A 63 6.650 25.131 4.010 1.00 0.00 H new ATOM 897 N GLY A 64 3.084 23.662 4.039 1.00 0.00 N ATOM 898 CA GLY A 64 2.584 23.049 5.259 1.00 0.00 C ATOM 899 C GLY A 64 1.099 23.314 5.478 1.00 0.00 C ATOM 900 O GLY A 64 0.738 23.919 6.487 1.00 0.00 O ATOM 0 H GLY A 64 2.583 23.350 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.756 21.973 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.147 23.430 6.111 1.00 0.00 H new ATOM 904 N GLY A 65 0.242 22.865 4.549 1.00 0.00 N ATOM 905 CA GLY A 65 -1.196 23.045 4.680 1.00 0.00 C ATOM 906 C GLY A 65 -1.938 23.085 3.345 1.00 0.00 C ATOM 907 O GLY A 65 -1.455 23.662 2.372 1.00 0.00 O ATOM 0 H GLY A 65 0.528 22.375 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.600 22.234 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.389 23.972 5.220 1.00 0.00 H new ATOM 911 N VAL A 66 -3.116 22.447 3.328 1.00 0.00 N ATOM 912 CA VAL A 66 -4.045 22.360 2.209 1.00 0.00 C ATOM 913 C VAL A 66 -5.155 23.394 2.457 1.00 0.00 C ATOM 914 O VAL A 66 -5.363 23.795 3.602 1.00 0.00 O ATOM 915 CB VAL A 66 -4.573 20.914 2.101 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.432 20.487 3.301 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.399 20.712 0.824 1.00 0.00 C ATOM 0 H VAL A 66 -3.461 21.949 4.149 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.571 22.587 1.254 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.679 20.290 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.770 19.460 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.840 20.552 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.297 21.146 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.755 19.683 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.252 21.391 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.778 20.918 -0.048 1.00 0.00 H new ATOM 927 N TYR A 67 -5.858 23.833 1.401 1.00 0.00 N ATOM 928 CA TYR A 67 -6.932 24.822 1.484 1.00 0.00 C ATOM 929 C TYR A 67 -6.337 26.153 1.938 1.00 0.00 C ATOM 930 O TYR A 67 -6.514 26.571 3.082 1.00 0.00 O ATOM 931 CB TYR A 67 -8.088 24.286 2.354 1.00 0.00 C ATOM 932 CG TYR A 67 -9.438 24.992 2.315 1.00 0.00 C ATOM 933 CD1 TYR A 67 -9.593 26.312 1.840 1.00 0.00 C ATOM 934 CD2 TYR A 67 -10.567 24.292 2.783 1.00 0.00 C ATOM 935 CE1 TYR A 67 -10.861 26.919 1.841 1.00 0.00 C ATOM 936 CE2 TYR A 67 -11.834 24.898 2.782 1.00 0.00 C ATOM 937 CZ TYR A 67 -11.980 26.216 2.322 1.00 0.00 C ATOM 938 OH TYR A 67 -13.208 26.811 2.334 1.00 0.00 O ATOM 0 H TYR A 67 -5.689 23.502 0.451 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.386 25.006 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.254 23.246 2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.747 24.287 3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.735 26.857 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -10.458 23.281 3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.976 27.927 1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -12.695 24.350 3.135 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.871 26.186 2.696 1.00 0.00 H new ATOM 948 N THR A 68 -5.630 26.804 1.005 1.00 0.00 N ATOM 949 CA THR A 68 -4.954 28.079 1.196 1.00 0.00 C ATOM 950 C THR A 68 -5.241 29.001 0.003 1.00 0.00 C ATOM 951 O THR A 68 -6.106 28.703 -0.822 1.00 0.00 O ATOM 952 CB THR A 68 -3.453 27.822 1.414 1.00 0.00 C ATOM 953 OG1 THR A 68 -2.895 27.227 0.257 1.00 0.00 O ATOM 954 CG2 THR A 68 -3.221 26.923 2.636 1.00 0.00 C ATOM 0 H THR A 68 -5.513 26.436 0.061 1.00 0.00 H new ATOM 0 HA THR A 68 -5.329 28.590 2.083 1.00 0.00 H new ATOM 0 HB THR A 68 -2.963 28.778 1.599 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.088 27.717 -0.006 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.152 26.757 2.768 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.625 27.406 3.525 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.721 25.966 2.484 1.00 0.00 H new ATOM 962 N GLY A 69 -4.517 30.127 -0.079 1.00 0.00 N ATOM 963 CA GLY A 69 -4.655 31.137 -1.119 1.00 0.00 C ATOM 964 C GLY A 69 -4.578 30.572 -2.539 1.00 0.00 C ATOM 965 O GLY A 69 -3.600 29.916 -2.896 1.00 0.00 O ATOM 0 H GLY A 69 -3.797 30.360 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.609 31.648 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.873 31.886 -0.992 1.00 0.00 H new ATOM 969 N GLY A 70 -5.622 30.843 -3.333 1.00 0.00 N ATOM 970 CA GLY A 70 -5.768 30.433 -4.721 1.00 0.00 C ATOM 971 C GLY A 70 -5.860 31.697 -5.568 1.00 0.00 C ATOM 972 O GLY A 70 -6.923 32.311 -5.624 1.00 0.00 O ATOM 0 H GLY A 70 -6.423 31.381 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.919 29.825 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.661 29.821 -4.848 1.00 0.00 H new ATOM 976 N SER A 71 -4.748 32.072 -6.215 1.00 0.00 N ATOM 977 CA SER A 71 -4.618 33.260 -7.052 1.00 0.00 C ATOM 978 C SER A 71 -4.792 34.515 -6.183 1.00 0.00 C ATOM 979 O SER A 71 -5.907 35.025 -6.084 1.00 0.00 O ATOM 980 CB SER A 71 -5.596 33.228 -8.239 1.00 0.00 C ATOM 981 OG SER A 71 -5.351 34.331 -9.084 1.00 0.00 O ATOM 0 H SER A 71 -3.884 31.532 -6.164 1.00 0.00 H new ATOM 0 HA SER A 71 -3.620 33.282 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.478 32.298 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.624 33.255 -7.877 1.00 0.00 H new ATOM 0 HG SER A 71 -5.974 34.308 -9.840 1.00 0.00 H new ATOM 987 N PRO A 72 -3.729 35.029 -5.539 1.00 0.00 N ATOM 988 CA PRO A 72 -2.337 34.607 -5.637 1.00 0.00 C ATOM 989 C PRO A 72 -2.062 33.311 -4.869 1.00 0.00 C ATOM 990 O PRO A 72 -2.849 32.889 -4.022 1.00 0.00 O ATOM 991 CB PRO A 72 -1.534 35.766 -5.037 1.00 0.00 C ATOM 992 CG PRO A 72 -2.476 36.301 -3.961 1.00 0.00 C ATOM 993 CD PRO A 72 -3.847 36.151 -4.621 1.00 0.00 C ATOM 0 HA PRO A 72 -2.067 34.392 -6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.587 35.428 -4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.298 36.525 -5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.405 35.727 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.258 37.339 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.621 35.966 -3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.127 37.061 -5.151 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.917 32.694 -5.181 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.448 31.458 -4.579 1.00 0.00 C ATOM 1003 C GLY A 73 0.786 30.969 -5.334 1.00 0.00 C ATOM 1004 O GLY A 73 1.846 30.790 -4.738 1.00 0.00 O ATOM 0 H GLY A 73 -0.275 33.060 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.206 31.620 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.233 30.702 -4.613 1.00 0.00 H new ATOM 1008 N ALA A 74 0.611 30.752 -6.645 1.00 0.00 N ATOM 1009 CA ALA A 74 1.575 30.305 -7.638 1.00 0.00 C ATOM 1010 C ALA A 74 1.590 28.789 -7.639 1.00 0.00 C ATOM 1011 O ALA A 74 1.151 28.178 -8.605 1.00 0.00 O ATOM 1012 CB ALA A 74 2.988 30.888 -7.439 1.00 0.00 C ATOM 0 H ALA A 74 -0.304 30.903 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 74 1.259 30.682 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.651 30.509 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.944 31.976 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.369 30.592 -6.462 1.00 0.00 H new ATOM 1018 N ASP A 75 2.080 28.225 -6.535 1.00 0.00 N ATOM 1019 CA ASP A 75 2.252 26.798 -6.294 1.00 0.00 C ATOM 1020 C ASP A 75 0.927 26.055 -6.110 1.00 0.00 C ATOM 1021 O ASP A 75 0.155 26.344 -5.196 1.00 0.00 O ATOM 1022 CB ASP A 75 3.222 26.584 -5.124 1.00 0.00 C ATOM 1023 CG ASP A 75 2.897 27.447 -3.905 1.00 0.00 C ATOM 1024 OD1 ASP A 75 2.071 26.997 -3.083 1.00 0.00 O ATOM 1025 OD2 ASP A 75 3.491 28.544 -3.812 1.00 0.00 O ATOM 0 H ASP A 75 2.384 28.788 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 75 2.691 26.356 -7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.203 25.534 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.236 26.804 -5.457 1.00 0.00 H new ATOM 1030 N ARG A 76 0.688 25.078 -6.997 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.511 24.257 -7.034 1.00 0.00 C ATOM 1032 C ARG A 76 -0.208 22.809 -7.383 1.00 0.00 C ATOM 1033 O ARG A 76 0.730 22.534 -8.128 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.422 24.766 -8.160 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.131 26.086 -7.860 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.137 26.993 -9.082 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.808 28.257 -8.758 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.923 28.745 -9.325 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.508 28.156 -10.380 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.467 29.856 -8.815 1.00 0.00 N ATOM 0 H ARG A 76 1.354 24.837 -7.731 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.965 24.316 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.826 24.887 -9.065 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.174 24.006 -8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.155 25.889 -7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.633 26.590 -7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.115 27.186 -9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.648 26.501 -9.909 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.383 28.825 -8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.106 27.307 -10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.355 28.557 -10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.035 30.313 -8.012 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.314 30.245 -9.229 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.014 21.897 -6.823 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.947 20.469 -7.085 1.00 0.00 C ATOM 1056 C VAL A 77 -2.248 20.181 -7.822 1.00 0.00 C ATOM 1057 O VAL A 77 -3.282 20.776 -7.508 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.796 19.575 -5.851 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.510 19.864 -5.106 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.969 19.654 -4.867 1.00 0.00 C ATOM 0 H VAL A 77 -1.747 22.147 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.045 20.233 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.783 18.560 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.584 19.212 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.355 19.682 -5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.521 20.905 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.781 18.991 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.074 20.678 -4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.887 19.350 -5.370 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.197 19.263 -8.789 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.347 18.940 -9.614 1.00 0.00 C ATOM 1072 C VAL A 78 -3.427 17.422 -9.864 1.00 0.00 C ATOM 1073 O VAL A 78 -2.464 16.805 -10.321 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.222 19.823 -10.873 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.371 19.586 -11.858 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.123 21.332 -10.511 1.00 0.00 C ATOM 0 H VAL A 78 -1.358 18.729 -9.016 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.302 19.162 -9.137 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.294 19.529 -11.364 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.242 20.229 -12.729 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.370 18.543 -12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.319 19.818 -11.373 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.036 21.920 -11.424 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.018 21.635 -9.968 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.245 21.500 -9.887 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.600 16.838 -9.564 1.00 0.00 N ATOM 1087 CA ILE A 79 -4.928 15.414 -9.674 1.00 0.00 C ATOM 1088 C ILE A 79 -5.851 15.149 -10.866 1.00 0.00 C ATOM 1089 O ILE A 79 -6.318 16.078 -11.516 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.665 14.933 -8.389 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -5.537 15.895 -7.195 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.279 13.517 -7.943 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -6.225 15.340 -5.949 1.00 0.00 C ATOM 0 H ILE A 79 -5.389 17.384 -9.218 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.990 14.875 -9.808 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.709 14.919 -8.701 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.483 16.072 -6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.976 16.859 -7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.834 13.255 -7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.518 12.808 -8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.210 13.480 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.114 16.047 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.284 15.188 -6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.769 14.389 -5.674 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.110 13.861 -11.124 1.00 0.00 N ATOM 1106 CA ASN A 80 -6.994 13.334 -12.159 1.00 0.00 C ATOM 1107 C ASN A 80 -8.351 13.138 -11.480 1.00 0.00 C ATOM 1108 O ASN A 80 -8.430 13.215 -10.253 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.481 11.990 -12.693 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.397 12.162 -13.752 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.208 12.037 -13.466 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.817 12.443 -14.988 1.00 0.00 N ATOM 0 H ASN A 80 -5.678 13.116 -10.578 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.050 14.013 -13.010 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.087 11.400 -11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.314 11.429 -13.117 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.140 12.563 -15.742 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.815 12.538 -15.178 1.00 0.00 H new ATOM 1119 N THR A 81 -9.412 12.872 -12.256 1.00 0.00 N ATOM 1120 CA THR A 81 -10.757 12.699 -11.720 1.00 0.00 C ATOM 1121 C THR A 81 -11.081 11.380 -11.024 1.00 0.00 C ATOM 1122 O THR A 81 -12.055 10.700 -11.342 1.00 0.00 O ATOM 1123 CB THR A 81 -11.823 13.220 -12.689 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.090 13.242 -12.064 1.00 0.00 O ATOM 1125 CG2 THR A 81 -11.879 12.384 -13.961 1.00 0.00 C ATOM 0 H THR A 81 -9.355 12.772 -13.270 1.00 0.00 H new ATOM 0 HA THR A 81 -10.780 13.350 -10.846 1.00 0.00 H new ATOM 0 HB THR A 81 -11.546 14.237 -12.968 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.306 12.346 -11.731 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.646 12.783 -14.625 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.912 12.419 -14.462 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.119 11.351 -13.708 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.243 11.036 -10.049 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.392 9.873 -9.218 1.00 0.00 C ATOM 1135 C ASN A 82 -9.541 10.180 -7.993 1.00 0.00 C ATOM 1136 O ASN A 82 -10.049 10.648 -6.977 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.996 8.594 -9.977 1.00 0.00 C ATOM 1138 CG ASN A 82 -9.975 7.362 -9.072 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.746 7.273 -8.118 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -9.084 6.412 -9.365 1.00 0.00 N ATOM 0 H ASN A 82 -9.417 11.587 -9.818 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.421 9.672 -8.919 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.697 8.429 -10.795 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.011 8.730 -10.424 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.025 5.573 -8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.463 6.525 -10.166 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.243 9.914 -8.133 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.221 10.095 -7.105 1.00 0.00 C ATOM 1149 C CYS A 83 -5.778 10.112 -7.643 1.00 0.00 C ATOM 1150 O CYS A 83 -4.857 10.278 -6.844 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.370 8.978 -6.052 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.249 9.475 -4.309 1.00 0.00 S ATOM 0 H CYS A 83 -7.859 9.550 -9.005 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.387 11.080 -6.669 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.336 8.497 -6.202 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -6.606 8.225 -6.245 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.549 9.961 -8.960 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.201 9.885 -9.528 1.00 0.00 C ATOM 1159 C GLU A 84 -3.531 11.246 -9.713 1.00 0.00 C ATOM 1160 O GLU A 84 -3.937 12.025 -10.572 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.236 9.082 -10.841 1.00 0.00 C ATOM 1162 CG GLU A 84 -2.904 8.390 -11.169 1.00 0.00 C ATOM 1163 CD GLU A 84 -1.725 9.353 -11.284 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -1.839 10.303 -12.088 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -0.728 9.124 -10.565 1.00 0.00 O ATOM 0 H GLU A 84 -6.293 9.889 -9.654 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.576 9.364 -8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.022 8.329 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.501 9.751 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.687 7.654 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.009 7.845 -12.107 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.494 11.523 -8.910 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.738 12.764 -8.967 1.00 0.00 C ATOM 1174 C TYR A 85 -1.108 12.923 -10.358 1.00 0.00 C ATOM 1175 O TYR A 85 -0.194 12.181 -10.715 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.712 12.795 -7.822 1.00 0.00 C ATOM 1177 CG TYR A 85 0.162 14.036 -7.771 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.356 15.290 -8.156 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.502 13.944 -7.342 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.453 16.434 -8.121 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.307 15.091 -7.325 1.00 0.00 C ATOM 1182 CZ TYR A 85 1.790 16.329 -7.718 1.00 0.00 C ATOM 1183 OH TYR A 85 2.592 17.424 -7.694 1.00 0.00 O ATOM 0 H TYR A 85 -2.159 10.877 -8.196 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.394 13.622 -8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.245 12.706 -6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.068 11.920 -7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.383 15.369 -8.480 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.906 12.993 -7.028 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.046 17.394 -8.404 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.336 15.018 -7.005 1.00 0.00 H new ATOM 0 HH TYR A 85 3.484 17.183 -8.020 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.591 13.908 -11.131 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.148 14.186 -12.492 1.00 0.00 C ATOM 1195 C ALA A 86 0.168 14.957 -12.501 1.00 0.00 C ATOM 1196 O ALA A 86 1.037 14.669 -13.323 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.254 14.948 -13.218 1.00 0.00 C ATOM 0 H ALA A 86 -2.320 14.546 -10.811 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.957 13.248 -13.013 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.938 15.164 -14.239 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.160 14.342 -13.239 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.455 15.883 -12.695 1.00 0.00 H new ATOM 1203 N GLY A 87 0.321 15.921 -11.588 1.00 0.00 N ATOM 1204 CA GLY A 87 1.525 16.726 -11.466 1.00 0.00 C ATOM 1205 C GLY A 87 1.196 18.093 -10.879 1.00 0.00 C ATOM 1206 O GLY A 87 0.026 18.459 -10.767 1.00 0.00 O ATOM 0 H GLY A 87 -0.400 16.162 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.248 16.215 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.990 16.846 -12.445 1.00 0.00 H new ATOM 1210 N ALA A 88 2.241 18.838 -10.502 1.00 0.00 N ATOM 1211 CA ALA A 88 2.118 20.173 -9.936 1.00 0.00 C ATOM 1212 C ALA A 88 2.621 21.216 -10.925 1.00 0.00 C ATOM 1213 O ALA A 88 3.445 20.932 -11.794 1.00 0.00 O ATOM 1214 CB ALA A 88 2.858 20.270 -8.600 1.00 0.00 C ATOM 0 H ALA A 88 3.207 18.520 -10.585 1.00 0.00 H new ATOM 0 HA ALA A 88 1.064 20.371 -9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.751 21.277 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.436 19.552 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.915 20.050 -8.753 1.00 0.00 H new ATOM 1220 N ILE A 89 2.084 22.429 -10.766 1.00 0.00 N ATOM 1221 CA ILE A 89 2.376 23.603 -11.578 1.00 0.00 C ATOM 1222 C ILE A 89 2.662 24.772 -10.633 1.00 0.00 C ATOM 1223 O ILE A 89 2.225 24.738 -9.483 1.00 0.00 O ATOM 1224 CB ILE A 89 1.223 23.855 -12.567 1.00 0.00 C ATOM 1225 CG1 ILE A 89 -0.118 24.084 -11.843 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.129 22.665 -13.532 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -1.263 24.469 -12.785 1.00 0.00 C ATOM 0 H ILE A 89 1.403 22.623 -10.032 1.00 0.00 H new ATOM 0 HA ILE A 89 3.262 23.461 -12.197 1.00 0.00 H new ATOM 0 HB ILE A 89 1.434 24.767 -13.125 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.391 23.176 -11.304 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.010 24.870 -11.099 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.315 22.832 -14.238 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.067 22.564 -14.077 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.938 21.753 -12.967 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.176 24.615 -12.208 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.011 25.393 -13.305 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.418 23.673 -13.514 1.00 0.00 H new ATOM 1239 N THR A 90 3.381 25.810 -11.094 1.00 0.00 N ATOM 1240 CA THR A 90 3.714 26.933 -10.226 1.00 0.00 C ATOM 1241 C THR A 90 4.091 28.246 -10.919 1.00 0.00 C ATOM 1242 O THR A 90 4.787 28.220 -11.933 1.00 0.00 O ATOM 1243 CB THR A 90 4.874 26.514 -9.300 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.130 27.531 -8.352 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.168 26.218 -10.074 1.00 0.00 C ATOM 0 H THR A 90 3.734 25.887 -12.048 1.00 0.00 H new ATOM 0 HA THR A 90 2.791 27.154 -9.690 1.00 0.00 H new ATOM 0 HB THR A 90 4.562 25.596 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.867 27.255 -7.767 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.952 25.928 -9.375 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.992 25.406 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.479 27.110 -10.618 1.00 0.00 H new ATOM 1253 N HIS A 91 3.613 29.390 -10.384 1.00 0.00 N ATOM 1254 CA HIS A 91 4.002 30.713 -10.900 1.00 0.00 C ATOM 1255 C HIS A 91 5.344 31.109 -10.226 1.00 0.00 C ATOM 1256 O HIS A 91 5.478 32.236 -9.749 1.00 0.00 O ATOM 1257 CB HIS A 91 2.999 31.878 -10.657 1.00 0.00 C ATOM 1258 CG HIS A 91 1.689 31.834 -11.371 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.853 32.934 -11.502 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.051 30.815 -11.999 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.229 32.520 -12.185 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.158 31.239 -12.531 1.00 0.00 N ATOM 0 H HIS A 91 2.961 29.421 -9.600 1.00 0.00 H new ATOM 0 HA HIS A 91 4.053 30.592 -11.982 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.795 31.926 -9.587 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.496 32.809 -10.928 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.433 29.808 -12.075 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.065 33.160 -12.426 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.835 30.694 -13.064 1.00 0.00 H new ATOM 1270 N THR A 92 6.348 30.218 -10.164 1.00 0.00 N ATOM 1271 CA THR A 92 7.627 30.498 -9.499 1.00 0.00 C ATOM 1272 C THR A 92 8.474 31.596 -10.154 1.00 0.00 C ATOM 1273 O THR A 92 9.103 32.387 -9.453 1.00 0.00 O ATOM 1274 CB THR A 92 8.414 29.206 -9.242 1.00 0.00 C ATOM 1275 OG1 THR A 92 9.433 29.433 -8.289 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.038 28.667 -10.523 1.00 0.00 C ATOM 0 H THR A 92 6.294 29.285 -10.574 1.00 0.00 H new ATOM 0 HA THR A 92 7.364 30.928 -8.532 1.00 0.00 H new ATOM 0 HB THR A 92 7.710 28.466 -8.861 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.926 28.601 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.587 27.752 -10.303 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.253 28.453 -11.248 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.721 29.410 -10.936 1.00 0.00 H new ATOM 1284 N GLY A 93 8.489 31.638 -11.488 1.00 0.00 N ATOM 1285 CA GLY A 93 9.217 32.608 -12.296 1.00 0.00 C ATOM 1286 C GLY A 93 8.343 32.888 -13.509 1.00 0.00 C ATOM 1287 O GLY A 93 8.760 32.717 -14.652 1.00 0.00 O ATOM 0 H GLY A 93 7.971 30.967 -12.055 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.405 33.522 -11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.187 32.214 -12.598 1.00 0.00 H new ATOM 1291 N ALA A 94 7.116 33.321 -13.207 1.00 0.00 N ATOM 1292 CA ALA A 94 6.053 33.622 -14.146 1.00 0.00 C ATOM 1293 C ALA A 94 5.733 35.092 -14.361 1.00 0.00 C ATOM 1294 O ALA A 94 5.081 35.420 -15.351 1.00 0.00 O ATOM 1295 CB ALA A 94 4.798 33.028 -13.515 1.00 0.00 C ATOM 0 H ALA A 94 6.830 33.477 -12.241 1.00 0.00 H new ATOM 0 HA ALA A 94 6.369 33.233 -15.114 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.942 33.212 -14.164 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.930 31.954 -13.384 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.624 33.493 -12.545 1.00 0.00 H new ATOM 1301 N SER A 95 6.171 35.964 -13.444 1.00 0.00 N ATOM 1302 CA SER A 95 5.877 37.390 -13.485 1.00 0.00 C ATOM 1303 C SER A 95 4.356 37.538 -13.313 1.00 0.00 C ATOM 1304 O SER A 95 3.736 38.415 -13.913 1.00 0.00 O ATOM 1305 CB SER A 95 6.431 38.073 -14.745 1.00 0.00 C ATOM 1306 OG SER A 95 7.815 37.826 -14.867 1.00 0.00 O ATOM 0 H SER A 95 6.745 35.690 -12.647 1.00 0.00 H new ATOM 0 HA SER A 95 6.385 37.912 -12.675 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.909 37.702 -15.627 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.249 39.147 -14.695 1.00 0.00 H new ATOM 0 HG SER A 95 8.156 38.265 -15.674 1.00 0.00 H new ATOM 1312 N GLY A 96 3.771 36.652 -12.487 1.00 0.00 N ATOM 1313 CA GLY A 96 2.358 36.564 -12.170 1.00 0.00 C ATOM 1314 C GLY A 96 1.496 36.036 -13.320 1.00 0.00 C ATOM 1315 O GLY A 96 0.292 36.292 -13.308 1.00 0.00 O ATOM 0 H GLY A 96 4.317 35.941 -12.000 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.230 35.914 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.998 37.552 -11.883 1.00 0.00 H new ATOM 1319 N ASN A 97 2.069 35.304 -14.295 1.00 0.00 N ATOM 1320 CA ASN A 97 1.309 34.791 -15.436 1.00 0.00 C ATOM 1321 C ASN A 97 1.801 33.434 -15.962 1.00 0.00 C ATOM 1322 O ASN A 97 1.116 32.426 -15.792 1.00 0.00 O ATOM 1323 CB ASN A 97 1.320 35.825 -16.578 1.00 0.00 C ATOM 1324 CG ASN A 97 0.650 37.151 -16.214 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -0.551 37.315 -16.415 1.00 0.00 O ATOM 1326 ND2 ASN A 97 1.424 38.103 -15.687 1.00 0.00 N ATOM 0 H ASN A 97 3.059 35.058 -14.309 1.00 0.00 H new ATOM 0 HA ASN A 97 0.295 34.625 -15.072 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.352 36.018 -16.871 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.816 35.400 -17.446 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.022 39.006 -15.436 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.417 37.927 -15.536 1.00 0.00 H new ATOM 1333 N ASN A 98 2.982 33.412 -16.599 1.00 0.00 N ATOM 1334 CA ASN A 98 3.605 32.242 -17.217 1.00 0.00 C ATOM 1335 C ASN A 98 3.861 31.084 -16.245 1.00 0.00 C ATOM 1336 O ASN A 98 4.844 31.084 -15.512 1.00 0.00 O ATOM 1337 CB ASN A 98 4.898 32.657 -17.937 1.00 0.00 C ATOM 1338 CG ASN A 98 4.694 33.851 -18.870 1.00 0.00 C ATOM 1339 OD1 ASN A 98 4.317 33.677 -20.028 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.947 35.064 -18.368 1.00 0.00 N ATOM 0 H ASN A 98 3.552 34.252 -16.699 1.00 0.00 H new ATOM 0 HA ASN A 98 2.888 31.854 -17.941 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.658 32.905 -17.196 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.277 31.812 -18.512 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.829 35.892 -18.952 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.258 35.161 -17.401 1.00 0.00 H new ATOM 1347 N PHE A 99 2.990 30.071 -16.257 1.00 0.00 N ATOM 1348 CA PHE A 99 3.085 28.919 -15.368 1.00 0.00 C ATOM 1349 C PHE A 99 4.155 27.958 -15.886 1.00 0.00 C ATOM 1350 O PHE A 99 4.284 27.762 -17.093 1.00 0.00 O ATOM 1351 CB PHE A 99 1.774 28.099 -15.507 1.00 0.00 C ATOM 1352 CG PHE A 99 0.805 28.138 -14.354 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.183 27.578 -13.122 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.468 28.714 -14.510 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.300 27.620 -12.031 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.354 28.756 -13.421 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.961 28.222 -12.182 1.00 0.00 C ATOM 0 H PHE A 99 2.193 30.031 -16.892 1.00 0.00 H new ATOM 0 HA PHE A 99 3.289 29.276 -14.358 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.252 28.448 -16.398 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.045 27.058 -15.684 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.153 27.115 -13.014 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.764 29.123 -15.465 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.588 27.192 -11.082 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.333 29.197 -13.535 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.634 28.275 -11.339 1.00 0.00 H new ATOM 1367 N VAL A 100 4.917 27.379 -14.952 1.00 0.00 N ATOM 1368 CA VAL A 100 5.944 26.388 -15.241 1.00 0.00 C ATOM 1369 C VAL A 100 5.553 25.122 -14.486 1.00 0.00 C ATOM 1370 O VAL A 100 4.772 25.166 -13.538 1.00 0.00 O ATOM 1371 CB VAL A 100 7.374 26.847 -14.929 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.805 27.922 -15.924 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.552 27.315 -13.490 1.00 0.00 C ATOM 0 H VAL A 100 4.831 27.594 -13.959 1.00 0.00 H new ATOM 0 HA VAL A 100 5.979 26.209 -16.316 1.00 0.00 H new ATOM 0 HB VAL A 100 8.024 25.979 -15.038 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.821 28.243 -15.696 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.771 27.517 -16.935 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.131 28.775 -15.852 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.585 27.626 -13.334 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.886 28.156 -13.296 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.312 26.498 -12.809 1.00 0.00 H new ATOM 1383 N GLY A 101 6.118 23.996 -14.912 1.00 0.00 N ATOM 1384 CA GLY A 101 5.827 22.696 -14.330 1.00 0.00 C ATOM 1385 C GLY A 101 6.759 22.359 -13.170 1.00 0.00 C ATOM 1386 O GLY A 101 7.829 22.953 -13.037 1.00 0.00 O ATOM 0 H GLY A 101 6.794 23.963 -15.675 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.795 22.680 -13.980 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.915 21.928 -15.099 1.00 0.00 H new ATOM 1390 N CYS A 102 6.329 21.405 -12.334 1.00 0.00 N ATOM 1391 CA CYS A 102 7.070 20.923 -11.177 1.00 0.00 C ATOM 1392 C CYS A 102 7.399 19.436 -11.330 1.00 0.00 C ATOM 1393 O CYS A 102 6.750 18.723 -12.092 1.00 0.00 O ATOM 1394 CB CYS A 102 6.252 21.132 -9.899 1.00 0.00 C ATOM 1395 SG CYS A 102 5.531 22.773 -9.624 1.00 0.00 S ATOM 0 H CYS A 102 5.430 20.939 -12.453 1.00 0.00 H new ATOM 0 HA CYS A 102 7.999 21.489 -11.109 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.441 20.404 -9.896 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.892 20.899 -9.048 1.00 0.00 H new ATOM 1400 N SER A 103 8.408 18.978 -10.580 1.00 0.00 N ATOM 1401 CA SER A 103 8.894 17.603 -10.542 1.00 0.00 C ATOM 1402 C SER A 103 9.048 16.921 -11.907 1.00 0.00 C ATOM 1403 O SER A 103 8.294 16.006 -12.236 1.00 0.00 O ATOM 1404 CB SER A 103 7.995 16.807 -9.596 1.00 0.00 C ATOM 1405 OG SER A 103 8.454 15.483 -9.424 1.00 0.00 O ATOM 0 H SER A 103 8.930 19.591 -9.954 1.00 0.00 H new ATOM 0 HA SER A 103 9.919 17.632 -10.171 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.955 17.306 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.978 16.791 -9.989 1.00 0.00 H new ATOM 0 HG SER A 103 7.855 15.006 -8.812 1.00 0.00 H new ATOM 1411 N GLY A 104 10.022 17.376 -12.703 1.00 0.00 N ATOM 1412 CA GLY A 104 10.330 16.815 -14.012 1.00 0.00 C ATOM 1413 C GLY A 104 9.424 17.310 -15.138 1.00 0.00 C ATOM 1414 O GLY A 104 9.660 16.960 -16.293 1.00 0.00 O ATOM 0 H GLY A 104 10.625 18.157 -12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.364 17.053 -14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.258 15.729 -13.955 1.00 0.00 H new ATOM 1418 N THR A 105 8.406 18.121 -14.820 1.00 0.00 N ATOM 1419 CA THR A 105 7.490 18.658 -15.818 1.00 0.00 C ATOM 1420 C THR A 105 8.128 19.911 -16.417 1.00 0.00 C ATOM 1421 O THR A 105 8.159 20.957 -15.772 1.00 0.00 O ATOM 1422 CB THR A 105 6.116 18.930 -15.187 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.620 17.740 -14.610 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.098 19.430 -16.216 1.00 0.00 C ATOM 0 H THR A 105 8.200 18.418 -13.866 1.00 0.00 H new ATOM 0 HA THR A 105 7.317 17.941 -16.621 1.00 0.00 H new ATOM 0 HB THR A 105 6.252 19.705 -14.433 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.828 17.729 -13.652 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.142 19.609 -15.724 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.456 20.358 -16.661 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.970 18.679 -16.996 1.00 0.00 H new ATOM 1432 N ASN A 106 8.645 19.787 -17.648 1.00 0.00 N ATOM 1433 CA ASN A 106 9.286 20.857 -18.404 1.00 0.00 C ATOM 1434 C ASN A 106 10.466 21.452 -17.631 1.00 0.00 C ATOM 1435 O ASN A 106 11.475 20.725 -17.502 1.00 0.00 O ATOM 1436 CB ASN A 106 8.252 21.912 -18.833 1.00 0.00 C ATOM 1437 CG ASN A 106 7.114 21.300 -19.649 1.00 0.00 C ATOM 1438 OD1 ASN A 106 7.350 20.513 -20.564 1.00 0.00 O ATOM 1439 ND2 ASN A 106 5.872 21.661 -19.320 1.00 0.00 N ATOM 1440 OXT ASN A 106 10.300 22.560 -17.077 1.00 0.00 O ATOM 0 H ASN A 106 8.624 18.904 -18.158 1.00 0.00 H new ATOM 0 HA ASN A 106 9.705 20.438 -19.319 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.842 22.399 -17.948 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.746 22.685 -19.422 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.077 21.281 -19.834 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.717 22.317 -18.554 1.00 0.00 H new TER 1447 ASN A 106