USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= -3.17! C(o=-4.6!,f=-5!) USER MOD Set 1.2: A 110 TYR OH : rot 99:sc= 0.349 USER MOD Set 1.3: A 112 HIS : no HD1:sc= -1.78 K(o=-4.6,f=-3.2) USER MOD Set 2.1: A 101 SER OG : rot 180:sc= -0.0195 USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0.0023 USER MOD Set 3.1: A 68 HIS : no HD1:sc= 0.411 K(o=0.66,f=-6.2!) USER MOD Set 3.2: A 88 TYR OH : rot 75:sc= 0.251 USER MOD Set 4.1: A 76 ASN : amide:sc= -0.372 K(o=-0.37,f=-0.89) USER MOD Set 4.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 60 GLN : amide:sc= -1.33! C(o=-2.9!,f=-14!) USER MOD Set 5.2: A 109 ASN : amide:sc= -1.54! C(o=-2.9!,f=-8.6!) USER MOD Set 6.1: A 21 TYR OH : rot 54:sc= 1.07 USER MOD Set 6.2: A 30 SER OG : rot -19:sc= 2.34 USER MOD Set 7.1: A 19 TYR OH : rot 30:sc= 0.63 USER MOD Set 7.2: A 84 SER OG : rot -131:sc= 1.28 USER MOD Set 8.1: A 15 GLN : amide:sc= -0.229 K(o=0.8,f=-6.8!) USER MOD Set 8.2: A 87 ASN : amide:sc= -0.246 K(o=0.8,f=-7.5!) USER MOD Set 8.3: A 89 SER OG : rot 113:sc= 1.28 USER MOD Set 9.1: A 11 TYR OH : rot 44:sc= 1.19 USER MOD Set 9.2: A 34 ASN : amide:sc= 1.16 K(o=2.3,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0445 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 7 SER OG : rot 21:sc= 0.538 USER MOD Single : A 9 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.6) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -56:sc= 0.75 USER MOD Single : A 17 THR OG1 : rot 76:sc= -0.0393 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0.529 (180deg=0.4) USER MOD Single : A 31 THR OG1 : rot -40:sc= 0.889 USER MOD Single : A 36 ASN : amide:sc= 0.0946 K(o=0.095,f=-3.5!) USER MOD Single : A 37 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.87) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 48 THR OG1 : rot 92:sc= 0.923 USER MOD Single : A 51 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.03) USER MOD Single : A 52 THR OG1 : rot -18:sc= 0.91 USER MOD Single : A 54 SER OG : rot -8:sc= 0.826 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 79:sc= 1.22 USER MOD Single : A 86 MET CE :methyl -110:sc= -0.546 (180deg=-1.4) USER MOD Single : A 94 SER OG : rot -89:sc= 1.17 USER MOD Single : A 96 SER OG : rot 29:sc= 0.326 USER MOD Single : A 97 SER OG : rot 30:sc= 0.0692 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.337 -3.385 2.110 1.00 0.00 N ATOM 2 CA GLY A 1 -28.882 -3.108 2.114 1.00 0.00 C ATOM 3 C GLY A 1 -28.427 -2.450 3.398 1.00 0.00 C ATOM 4 O GLY A 1 -29.086 -2.573 4.430 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.502 -4.369 1.817 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.721 -3.240 3.066 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.811 -2.741 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.336 -4.041 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.635 -2.464 1.270 1.00 0.00 H new ATOM 10 N SER A 2 -27.311 -1.736 3.325 1.00 0.00 N ATOM 11 CA SER A 2 -26.724 -1.095 4.492 1.00 0.00 C ATOM 12 C SER A 2 -25.650 -0.098 4.065 1.00 0.00 C ATOM 13 O SER A 2 -25.450 0.932 4.716 1.00 0.00 O ATOM 14 CB SER A 2 -26.124 -2.147 5.432 1.00 0.00 C ATOM 15 OG SER A 2 -25.669 -1.562 6.642 1.00 0.00 O ATOM 0 H SER A 2 -26.791 -1.586 2.460 1.00 0.00 H new ATOM 0 HA SER A 2 -27.509 -0.557 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.872 -2.908 5.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.295 -2.650 4.935 1.00 0.00 H new ATOM 0 HG SER A 2 -25.293 -2.258 7.221 1.00 0.00 H new ATOM 21 N SER A 3 -24.979 -0.393 2.953 1.00 0.00 N ATOM 22 CA SER A 3 -23.891 0.441 2.457 1.00 0.00 C ATOM 23 C SER A 3 -24.414 1.713 1.784 1.00 0.00 C ATOM 24 O SER A 3 -24.088 2.006 0.635 1.00 0.00 O ATOM 25 CB SER A 3 -23.029 -0.360 1.480 1.00 0.00 C ATOM 26 OG SER A 3 -22.500 -1.521 2.102 1.00 0.00 O ATOM 0 H SER A 3 -25.174 -1.211 2.376 1.00 0.00 H new ATOM 0 HA SER A 3 -23.285 0.747 3.310 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.626 -0.647 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.214 0.264 1.113 1.00 0.00 H new ATOM 0 HG SER A 3 -21.954 -2.018 1.457 1.00 0.00 H new ATOM 32 N ILE A 4 -25.221 2.466 2.517 1.00 0.00 N ATOM 33 CA ILE A 4 -25.733 3.742 2.039 1.00 0.00 C ATOM 34 C ILE A 4 -24.868 4.873 2.604 1.00 0.00 C ATOM 35 O ILE A 4 -25.127 6.060 2.398 1.00 0.00 O ATOM 36 CB ILE A 4 -27.217 3.934 2.451 1.00 0.00 C ATOM 37 CG1 ILE A 4 -27.840 5.135 1.730 1.00 0.00 C ATOM 38 CG2 ILE A 4 -27.344 4.094 3.960 1.00 0.00 C ATOM 39 CD1 ILE A 4 -27.864 4.991 0.223 1.00 0.00 C ATOM 0 H ILE A 4 -25.537 2.212 3.453 1.00 0.00 H new ATOM 0 HA ILE A 4 -25.688 3.758 0.950 1.00 0.00 H new ATOM 0 HB ILE A 4 -27.763 3.039 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -28.859 5.275 2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -27.283 6.035 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -28.393 4.227 4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -26.955 3.204 4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -26.775 4.966 4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -28.318 5.877 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -26.845 4.881 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -28.446 4.110 -0.049 1.00 0.00 H new ATOM 51 N SER A 5 -23.828 4.472 3.317 1.00 0.00 N ATOM 52 CA SER A 5 -22.901 5.398 3.941 1.00 0.00 C ATOM 53 C SER A 5 -21.571 5.383 3.186 1.00 0.00 C ATOM 54 O SER A 5 -21.522 4.969 2.028 1.00 0.00 O ATOM 55 CB SER A 5 -22.699 4.985 5.397 1.00 0.00 C ATOM 56 OG SER A 5 -23.941 4.681 6.013 1.00 0.00 O ATOM 0 H SER A 5 -23.603 3.490 3.479 1.00 0.00 H new ATOM 0 HA SER A 5 -23.302 6.411 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.042 4.117 5.445 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.205 5.789 5.942 1.00 0.00 H new ATOM 0 HG SER A 5 -23.788 4.417 6.944 1.00 0.00 H new ATOM 62 N HIS A 6 -20.501 5.837 3.834 1.00 0.00 N ATOM 63 CA HIS A 6 -19.174 5.821 3.216 1.00 0.00 C ATOM 64 C HIS A 6 -18.630 4.397 3.137 1.00 0.00 C ATOM 65 O HIS A 6 -17.797 4.092 2.287 1.00 0.00 O ATOM 66 CB HIS A 6 -18.199 6.725 3.980 1.00 0.00 C ATOM 67 CG HIS A 6 -18.499 8.186 3.821 1.00 0.00 C ATOM 68 ND1 HIS A 6 -18.567 9.069 4.879 1.00 0.00 N ATOM 69 CD2 HIS A 6 -18.742 8.923 2.709 1.00 0.00 C ATOM 70 CE1 HIS A 6 -18.839 10.277 4.425 1.00 0.00 C ATOM 71 NE2 HIS A 6 -18.950 10.215 3.114 1.00 0.00 N ATOM 0 H HIS A 6 -20.524 6.218 4.780 1.00 0.00 H new ATOM 0 HA HIS A 6 -19.274 6.209 2.202 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -18.229 6.468 5.039 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -17.184 6.529 3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -18.767 8.559 1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -18.952 11.167 5.027 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -19.157 11.002 2.499 1.00 0.00 H new ATOM 80 N SER A 7 -19.113 3.543 4.039 1.00 0.00 N ATOM 81 CA SER A 7 -18.815 2.107 4.038 1.00 0.00 C ATOM 82 C SER A 7 -17.311 1.811 3.998 1.00 0.00 C ATOM 83 O SER A 7 -16.834 1.043 3.160 1.00 0.00 O ATOM 84 CB SER A 7 -19.551 1.394 2.887 1.00 0.00 C ATOM 85 OG SER A 7 -19.315 2.018 1.633 1.00 0.00 O ATOM 0 H SER A 7 -19.729 3.830 4.800 1.00 0.00 H new ATOM 0 HA SER A 7 -19.183 1.711 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.228 0.354 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.622 1.386 3.092 1.00 0.00 H new ATOM 0 HG SER A 7 -18.499 2.558 1.685 1.00 0.00 H new ATOM 91 N GLY A 8 -16.566 2.430 4.904 1.00 0.00 N ATOM 92 CA GLY A 8 -15.163 2.096 5.063 1.00 0.00 C ATOM 93 C GLY A 8 -14.244 2.904 4.169 1.00 0.00 C ATOM 94 O GLY A 8 -13.480 3.741 4.653 1.00 0.00 O ATOM 0 H GLY A 8 -16.907 3.158 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.876 2.253 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -15.024 1.036 4.851 1.00 0.00 H new ATOM 98 N ASN A 9 -14.317 2.663 2.867 1.00 0.00 N ATOM 99 CA ASN A 9 -13.414 3.308 1.922 1.00 0.00 C ATOM 100 C ASN A 9 -14.149 3.651 0.634 1.00 0.00 C ATOM 101 O ASN A 9 -15.080 2.954 0.237 1.00 0.00 O ATOM 102 CB ASN A 9 -12.214 2.396 1.631 1.00 0.00 C ATOM 103 CG ASN A 9 -11.173 3.043 0.730 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.059 4.266 0.662 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.382 2.223 0.056 1.00 0.00 N ATOM 0 H ASN A 9 -14.991 2.027 2.441 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.048 4.234 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.744 2.113 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.569 1.478 1.164 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.649 2.600 -0.544 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.506 1.214 0.137 1.00 0.00 H new ATOM 112 N LEU A 10 -13.717 4.727 -0.009 1.00 0.00 N ATOM 113 CA LEU A 10 -14.368 5.225 -1.213 1.00 0.00 C ATOM 114 C LEU A 10 -14.066 4.341 -2.420 1.00 0.00 C ATOM 115 O LEU A 10 -14.912 4.152 -3.297 1.00 0.00 O ATOM 116 CB LEU A 10 -13.882 6.643 -1.505 1.00 0.00 C ATOM 117 CG LEU A 10 -14.048 7.647 -0.360 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.494 9.005 -0.759 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.511 7.767 0.033 1.00 0.00 C ATOM 0 H LEU A 10 -12.910 5.277 0.287 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.444 5.217 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.827 6.598 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.418 7.020 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.487 7.284 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.620 9.706 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.434 8.910 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.030 9.374 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.611 8.484 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.091 8.108 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.881 6.795 0.358 1.00 0.00 H new ATOM 131 N TYR A 11 -12.857 3.800 -2.452 1.00 0.00 N ATOM 132 CA TYR A 11 -12.364 3.078 -3.617 1.00 0.00 C ATOM 133 C TYR A 11 -13.058 1.720 -3.767 1.00 0.00 C ATOM 134 O TYR A 11 -13.768 1.270 -2.866 1.00 0.00 O ATOM 135 CB TYR A 11 -10.845 2.900 -3.506 1.00 0.00 C ATOM 136 CG TYR A 11 -10.166 2.627 -4.828 1.00 0.00 C ATOM 137 CD1 TYR A 11 -9.981 3.645 -5.753 1.00 0.00 C ATOM 138 CD2 TYR A 11 -9.720 1.356 -5.156 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.369 3.405 -6.969 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.105 1.104 -6.370 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.933 2.132 -7.273 1.00 0.00 C ATOM 142 OH TYR A 11 -8.317 1.889 -8.481 1.00 0.00 O ATOM 0 H TYR A 11 -12.194 3.848 -1.678 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.593 3.661 -4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.414 3.799 -3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.634 2.078 -2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.321 4.643 -5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.855 0.548 -4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.233 4.209 -7.677 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.762 0.108 -6.609 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.672 2.603 -8.669 1.00 0.00 H new ATOM 152 N THR A 12 -12.851 1.087 -4.917 1.00 0.00 N ATOM 153 CA THR A 12 -13.444 -0.209 -5.222 1.00 0.00 C ATOM 154 C THR A 12 -13.035 -1.258 -4.185 1.00 0.00 C ATOM 155 O THR A 12 -11.897 -1.266 -3.717 1.00 0.00 O ATOM 156 CB THR A 12 -13.021 -0.671 -6.631 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.428 0.301 -7.606 1.00 0.00 O ATOM 158 CG2 THR A 12 -13.623 -2.023 -6.982 1.00 0.00 C ATOM 0 H THR A 12 -12.266 1.460 -5.665 1.00 0.00 H new ATOM 0 HA THR A 12 -14.528 -0.100 -5.191 1.00 0.00 H new ATOM 0 HB THR A 12 -11.936 -0.771 -6.635 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.155 0.003 -8.499 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.303 -2.315 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.288 -2.769 -6.261 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.711 -1.955 -6.955 1.00 0.00 H new ATOM 166 N ALA A 13 -13.965 -2.142 -3.850 1.00 0.00 N ATOM 167 CA ALA A 13 -13.779 -3.093 -2.768 1.00 0.00 C ATOM 168 C ALA A 13 -12.815 -4.209 -3.150 1.00 0.00 C ATOM 169 O ALA A 13 -12.787 -4.653 -4.300 1.00 0.00 O ATOM 170 CB ALA A 13 -15.119 -3.674 -2.344 1.00 0.00 C ATOM 0 H ALA A 13 -14.867 -2.218 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.338 -2.555 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.967 -4.385 -1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.773 -2.871 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.579 -4.183 -3.191 1.00 0.00 H new ATOM 176 N GLY A 14 -12.027 -4.651 -2.175 1.00 0.00 N ATOM 177 CA GLY A 14 -11.090 -5.739 -2.391 1.00 0.00 C ATOM 178 C GLY A 14 -9.955 -5.350 -3.312 1.00 0.00 C ATOM 179 O GLY A 14 -9.362 -6.203 -3.971 1.00 0.00 O ATOM 0 H GLY A 14 -12.021 -4.270 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.682 -6.059 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.620 -6.593 -2.813 1.00 0.00 H new ATOM 183 N GLN A 15 -9.655 -4.063 -3.357 1.00 0.00 N ATOM 184 CA GLN A 15 -8.636 -3.548 -4.260 1.00 0.00 C ATOM 185 C GLN A 15 -7.289 -3.381 -3.583 1.00 0.00 C ATOM 186 O GLN A 15 -7.173 -3.495 -2.366 1.00 0.00 O ATOM 187 CB GLN A 15 -9.082 -2.217 -4.842 1.00 0.00 C ATOM 188 CG GLN A 15 -9.863 -2.366 -6.124 1.00 0.00 C ATOM 189 CD GLN A 15 -8.970 -2.684 -7.301 1.00 0.00 C ATOM 190 OE1 GLN A 15 -7.898 -3.281 -7.154 1.00 0.00 O ATOM 191 NE2 GLN A 15 -9.410 -2.301 -8.476 1.00 0.00 N ATOM 0 H GLN A 15 -10.103 -3.353 -2.778 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.513 -4.283 -5.055 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.695 -1.693 -4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.206 -1.596 -5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.603 -3.158 -6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.410 -1.445 -6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.301 -1.811 -8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.861 -2.494 -9.314 1.00 0.00 H new ATOM 200 N CYS A 16 -6.281 -3.088 -4.396 1.00 0.00 N ATOM 201 CA CYS A 16 -4.922 -2.904 -3.908 1.00 0.00 C ATOM 202 C CYS A 16 -4.861 -1.705 -2.971 1.00 0.00 C ATOM 203 O CYS A 16 -4.392 -1.814 -1.843 1.00 0.00 O ATOM 204 CB CYS A 16 -3.967 -2.707 -5.089 1.00 0.00 C ATOM 205 SG CYS A 16 -2.219 -2.960 -4.711 1.00 0.00 S ATOM 0 H CYS A 16 -6.382 -2.972 -5.404 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.618 -3.793 -3.355 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.253 -3.393 -5.886 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.096 -1.696 -5.476 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.869 -2.177 -3.734 1.00 0.00 H new ATOM 211 N THR A 17 -5.369 -0.570 -3.437 1.00 0.00 N ATOM 212 CA THR A 17 -5.379 0.645 -2.632 1.00 0.00 C ATOM 213 C THR A 17 -6.438 0.550 -1.533 1.00 0.00 C ATOM 214 O THR A 17 -6.323 1.178 -0.483 1.00 0.00 O ATOM 215 CB THR A 17 -5.652 1.888 -3.505 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.840 1.685 -4.272 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.493 2.168 -4.444 1.00 0.00 C ATOM 0 H THR A 17 -5.778 -0.466 -4.365 1.00 0.00 H new ATOM 0 HA THR A 17 -4.394 0.748 -2.176 1.00 0.00 H new ATOM 0 HB THR A 17 -5.774 2.745 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.625 1.796 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.716 3.049 -5.045 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.588 2.345 -3.863 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.341 1.311 -5.100 1.00 0.00 H new ATOM 225 N TRP A 18 -7.465 -0.254 -1.790 1.00 0.00 N ATOM 226 CA TRP A 18 -8.555 -0.446 -0.843 1.00 0.00 C ATOM 227 C TRP A 18 -8.086 -1.248 0.368 1.00 0.00 C ATOM 228 O TRP A 18 -8.321 -0.850 1.509 1.00 0.00 O ATOM 229 CB TRP A 18 -9.716 -1.163 -1.534 1.00 0.00 C ATOM 230 CG TRP A 18 -10.973 -1.234 -0.721 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.012 -0.349 -0.744 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.333 -2.249 0.223 1.00 0.00 C ATOM 233 NE1 TRP A 18 -12.993 -0.754 0.124 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.602 -1.914 0.731 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.708 -3.407 0.688 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.257 -2.697 1.678 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.359 -4.182 1.627 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.622 -3.824 2.113 1.00 0.00 C ATOM 0 H TRP A 18 -7.564 -0.787 -2.654 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.891 0.530 -0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.934 -0.654 -2.473 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.403 -2.176 -1.786 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.055 0.540 -1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.874 -0.267 0.290 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.733 -3.692 0.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.231 -2.423 2.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.885 -5.081 1.993 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -13.104 -4.453 2.847 1.00 0.00 H new ATOM 249 N TYR A 19 -7.418 -2.373 0.111 1.00 0.00 N ATOM 250 CA TYR A 19 -6.922 -3.228 1.186 1.00 0.00 C ATOM 251 C TYR A 19 -5.947 -2.464 2.068 1.00 0.00 C ATOM 252 O TYR A 19 -5.987 -2.564 3.295 1.00 0.00 O ATOM 253 CB TYR A 19 -6.240 -4.465 0.602 1.00 0.00 C ATOM 254 CG TYR A 19 -5.677 -5.415 1.638 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.502 -6.295 2.323 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.318 -5.441 1.912 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.987 -7.176 3.256 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.796 -6.315 2.845 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.634 -7.182 3.512 1.00 0.00 C ATOM 260 OH TYR A 19 -4.114 -8.061 4.438 1.00 0.00 O ATOM 0 H TYR A 19 -7.209 -2.711 -0.828 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.769 -3.544 1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.959 -5.004 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.432 -4.144 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.564 -6.292 2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.657 -4.767 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.642 -7.855 3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.736 -6.319 3.051 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.663 -8.872 4.463 1.00 0.00 H new ATOM 270 N VAL A 20 -5.073 -1.705 1.423 1.00 0.00 N ATOM 271 CA VAL A 20 -4.131 -0.843 2.121 1.00 0.00 C ATOM 272 C VAL A 20 -4.856 0.088 3.091 1.00 0.00 C ATOM 273 O VAL A 20 -4.470 0.215 4.254 1.00 0.00 O ATOM 274 CB VAL A 20 -3.305 -0.006 1.121 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.550 1.102 1.830 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.344 -0.901 0.353 1.00 0.00 C ATOM 0 H VAL A 20 -4.997 -1.669 0.406 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.457 -1.486 2.687 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.993 0.457 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.977 1.676 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.258 1.760 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.872 0.668 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.768 -0.298 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.666 -1.392 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.909 -1.655 -0.195 1.00 0.00 H new ATOM 286 N TYR A 21 -5.921 0.714 2.607 1.00 0.00 N ATOM 287 CA TYR A 21 -6.679 1.663 3.406 1.00 0.00 C ATOM 288 C TYR A 21 -7.327 0.972 4.603 1.00 0.00 C ATOM 289 O TYR A 21 -7.316 1.497 5.719 1.00 0.00 O ATOM 290 CB TYR A 21 -7.751 2.339 2.552 1.00 0.00 C ATOM 291 CG TYR A 21 -8.360 3.543 3.222 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.650 4.729 3.340 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.643 3.489 3.744 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.204 5.827 3.962 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.206 4.581 4.366 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.485 5.748 4.474 1.00 0.00 C ATOM 297 OH TYR A 21 -10.046 6.842 5.093 1.00 0.00 O ATOM 0 H TYR A 21 -6.279 0.580 1.661 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.988 2.421 3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.313 2.641 1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.537 1.618 2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.649 4.793 2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.211 2.574 3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.640 6.744 4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.207 4.522 4.767 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.994 7.618 4.496 1.00 0.00 H new ATOM 307 N ASP A 22 -7.879 -0.207 4.366 1.00 0.00 N ATOM 308 CA ASP A 22 -8.532 -0.976 5.423 1.00 0.00 C ATOM 309 C ASP A 22 -7.525 -1.400 6.494 1.00 0.00 C ATOM 310 O ASP A 22 -7.802 -1.312 7.692 1.00 0.00 O ATOM 311 CB ASP A 22 -9.223 -2.206 4.825 1.00 0.00 C ATOM 312 CG ASP A 22 -9.791 -3.138 5.878 1.00 0.00 C ATOM 313 OD1 ASP A 22 -10.924 -2.899 6.344 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.115 -4.130 6.231 1.00 0.00 O ATOM 0 H ASP A 22 -7.890 -0.656 3.450 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.281 -0.342 5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.027 -1.879 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.509 -2.754 4.210 1.00 0.00 H new ATOM 319 N LYS A 23 -6.349 -1.828 6.054 1.00 0.00 N ATOM 320 CA LYS A 23 -5.310 -2.313 6.960 1.00 0.00 C ATOM 321 C LYS A 23 -4.767 -1.208 7.863 1.00 0.00 C ATOM 322 O LYS A 23 -4.455 -1.453 9.028 1.00 0.00 O ATOM 323 CB LYS A 23 -4.176 -2.948 6.156 1.00 0.00 C ATOM 324 CG LYS A 23 -4.527 -4.321 5.611 1.00 0.00 C ATOM 325 CD LYS A 23 -4.454 -5.385 6.696 1.00 0.00 C ATOM 326 CE LYS A 23 -3.022 -5.580 7.160 1.00 0.00 C ATOM 327 NZ LYS A 23 -2.895 -6.621 8.210 1.00 0.00 N ATOM 0 H LYS A 23 -6.087 -1.850 5.068 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.763 -3.062 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.915 -2.291 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.292 -3.030 6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.531 -4.300 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.844 -4.578 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.079 -5.094 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.850 -6.327 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.402 -5.854 6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.637 -4.635 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.921 -6.630 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.553 -6.412 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.122 -7.552 7.805 1.00 0.00 H new ATOM 341 N VAL A 24 -4.665 0.008 7.337 1.00 0.00 N ATOM 342 CA VAL A 24 -4.153 1.127 8.126 1.00 0.00 C ATOM 343 C VAL A 24 -5.245 1.727 9.009 1.00 0.00 C ATOM 344 O VAL A 24 -5.033 2.740 9.677 1.00 0.00 O ATOM 345 CB VAL A 24 -3.544 2.241 7.245 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.370 1.708 6.443 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.594 2.853 6.327 1.00 0.00 C ATOM 0 H VAL A 24 -4.926 0.244 6.380 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.362 0.716 8.753 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.179 3.029 7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.955 2.508 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.603 1.338 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.708 0.895 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.136 3.634 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.003 2.080 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.395 3.284 6.927 1.00 0.00 H new ATOM 357 N GLY A 25 -6.415 1.096 9.004 1.00 0.00 N ATOM 358 CA GLY A 25 -7.517 1.555 9.828 1.00 0.00 C ATOM 359 C GLY A 25 -8.164 2.808 9.280 1.00 0.00 C ATOM 360 O GLY A 25 -8.901 3.494 9.987 1.00 0.00 O ATOM 0 H GLY A 25 -6.620 0.271 8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.265 0.766 9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.156 1.748 10.838 1.00 0.00 H new ATOM 364 N GLY A 26 -7.888 3.100 8.016 1.00 0.00 N ATOM 365 CA GLY A 26 -8.441 4.280 7.384 1.00 0.00 C ATOM 366 C GLY A 26 -7.890 5.571 7.957 1.00 0.00 C ATOM 367 O GLY A 26 -8.591 6.579 8.011 1.00 0.00 O ATOM 0 H GLY A 26 -7.287 2.536 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.232 4.245 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.525 4.272 7.497 1.00 0.00 H new ATOM 371 N GLU A 27 -6.635 5.546 8.391 1.00 0.00 N ATOM 372 CA GLU A 27 -6.007 6.738 8.946 1.00 0.00 C ATOM 373 C GLU A 27 -5.521 7.661 7.837 1.00 0.00 C ATOM 374 O GLU A 27 -5.785 8.865 7.857 1.00 0.00 O ATOM 375 CB GLU A 27 -4.838 6.366 9.865 1.00 0.00 C ATOM 376 CG GLU A 27 -4.204 7.560 10.558 1.00 0.00 C ATOM 377 CD GLU A 27 -3.184 7.152 11.597 1.00 0.00 C ATOM 378 OE1 GLU A 27 -3.564 6.469 12.569 1.00 0.00 O ATOM 379 OE2 GLU A 27 -1.999 7.508 11.447 1.00 0.00 O ATOM 0 H GLU A 27 -6.037 4.720 8.370 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.759 7.263 9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.190 5.663 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.077 5.850 9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.725 8.196 9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.983 8.156 11.033 1.00 0.00 H new ATOM 386 N ILE A 28 -4.828 7.091 6.859 1.00 0.00 N ATOM 387 CA ILE A 28 -4.218 7.887 5.803 1.00 0.00 C ATOM 388 C ILE A 28 -4.830 7.561 4.446 1.00 0.00 C ATOM 389 O ILE A 28 -5.243 6.429 4.198 1.00 0.00 O ATOM 390 CB ILE A 28 -2.669 7.692 5.734 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.237 6.805 4.545 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.143 7.110 7.039 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.419 5.313 4.753 1.00 0.00 C ATOM 0 H ILE A 28 -4.675 6.086 6.776 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.419 8.930 6.050 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.234 8.679 5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.804 7.105 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.187 7.000 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.063 6.982 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.377 7.788 7.860 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.612 6.143 7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.087 4.778 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.829 4.991 5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.472 5.097 4.935 1.00 0.00 H new ATOM 405 N GLY A 29 -4.912 8.563 3.587 1.00 0.00 N ATOM 406 CA GLY A 29 -5.215 8.311 2.201 1.00 0.00 C ATOM 407 C GLY A 29 -6.578 8.787 1.768 1.00 0.00 C ATOM 408 O GLY A 29 -6.890 9.975 1.872 1.00 0.00 O ATOM 0 H GLY A 29 -4.774 9.545 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.460 8.796 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.141 7.240 2.014 1.00 0.00 H new ATOM 412 N SER A 30 -7.377 7.839 1.270 1.00 0.00 N ATOM 413 CA SER A 30 -8.681 8.111 0.658 1.00 0.00 C ATOM 414 C SER A 30 -8.507 8.879 -0.655 1.00 0.00 C ATOM 415 O SER A 30 -8.760 8.348 -1.738 1.00 0.00 O ATOM 416 CB SER A 30 -9.595 8.897 1.607 1.00 0.00 C ATOM 417 OG SER A 30 -9.526 8.398 2.930 1.00 0.00 O ATOM 0 H SER A 30 -7.133 6.849 1.281 1.00 0.00 H new ATOM 0 HA SER A 30 -9.153 7.151 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.310 9.949 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.624 8.843 1.250 1.00 0.00 H new ATOM 0 HG SER A 30 -9.165 7.487 2.918 1.00 0.00 H new ATOM 423 N THR A 31 -8.022 10.108 -0.548 1.00 0.00 N ATOM 424 CA THR A 31 -7.884 10.991 -1.690 1.00 0.00 C ATOM 425 C THR A 31 -6.482 10.887 -2.303 1.00 0.00 C ATOM 426 O THR A 31 -6.060 11.765 -3.059 1.00 0.00 O ATOM 427 CB THR A 31 -8.179 12.457 -1.284 1.00 0.00 C ATOM 428 OG1 THR A 31 -8.158 13.313 -2.435 1.00 0.00 O ATOM 429 CG2 THR A 31 -7.170 12.955 -0.255 1.00 0.00 C ATOM 0 H THR A 31 -7.714 10.518 0.334 1.00 0.00 H new ATOM 0 HA THR A 31 -8.610 10.680 -2.441 1.00 0.00 H new ATOM 0 HB THR A 31 -9.173 12.483 -0.837 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.420 13.051 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.401 13.986 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.221 12.330 0.636 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.166 12.906 -0.676 1.00 0.00 H new ATOM 437 N TRP A 32 -5.766 9.802 -2.005 1.00 0.00 N ATOM 438 CA TRP A 32 -4.434 9.608 -2.575 1.00 0.00 C ATOM 439 C TRP A 32 -4.527 9.213 -4.051 1.00 0.00 C ATOM 440 O TRP A 32 -3.520 9.140 -4.759 1.00 0.00 O ATOM 441 CB TRP A 32 -3.623 8.572 -1.783 1.00 0.00 C ATOM 442 CG TRP A 32 -4.240 7.213 -1.745 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.960 6.620 -2.729 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.166 6.271 -0.677 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.360 5.380 -2.343 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.890 5.134 -1.078 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.564 6.281 0.580 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.029 4.017 -0.262 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.703 5.171 1.390 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.432 4.054 0.967 1.00 0.00 C ATOM 0 H TRP A 32 -6.079 9.057 -1.383 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.906 10.559 -2.505 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.627 8.495 -2.220 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.496 8.930 -0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.184 7.070 -3.685 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.919 4.736 -2.903 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.000 7.139 0.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.588 3.152 -0.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.241 5.165 2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.525 3.203 1.626 1.00 0.00 H new ATOM 461 N GLY A 33 -5.744 8.958 -4.509 1.00 0.00 N ATOM 462 CA GLY A 33 -5.935 8.563 -5.880 1.00 0.00 C ATOM 463 C GLY A 33 -5.706 7.089 -6.083 1.00 0.00 C ATOM 464 O GLY A 33 -6.425 6.249 -5.533 1.00 0.00 O ATOM 0 H GLY A 33 -6.597 9.019 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.948 8.818 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.253 9.126 -6.517 1.00 0.00 H new ATOM 468 N ASN A 34 -4.688 6.782 -6.865 1.00 0.00 N ATOM 469 CA ASN A 34 -4.295 5.410 -7.109 1.00 0.00 C ATOM 470 C ASN A 34 -2.833 5.235 -6.740 1.00 0.00 C ATOM 471 O ASN A 34 -2.177 6.188 -6.323 1.00 0.00 O ATOM 472 CB ASN A 34 -4.522 5.005 -8.566 1.00 0.00 C ATOM 473 CG ASN A 34 -5.988 4.977 -8.947 1.00 0.00 C ATOM 474 OD1 ASN A 34 -6.658 3.957 -8.798 1.00 0.00 O ATOM 475 ND2 ASN A 34 -6.493 6.091 -9.454 1.00 0.00 N ATOM 0 H ASN A 34 -4.114 7.474 -7.346 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.916 4.762 -6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.995 5.702 -9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.088 4.019 -8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.472 6.124 -9.737 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.903 6.916 -9.561 1.00 0.00 H new ATOM 482 N ALA A 35 -2.322 4.037 -6.937 1.00 0.00 N ATOM 483 CA ALA A 35 -1.005 3.667 -6.443 1.00 0.00 C ATOM 484 C ALA A 35 0.130 4.461 -7.102 1.00 0.00 C ATOM 485 O ALA A 35 1.164 4.704 -6.481 1.00 0.00 O ATOM 486 CB ALA A 35 -0.801 2.181 -6.641 1.00 0.00 C ATOM 0 H ALA A 35 -2.803 3.293 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.969 3.915 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.185 1.897 -6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.566 1.632 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.875 1.942 -7.702 1.00 0.00 H new ATOM 492 N ASN A 36 -0.056 4.859 -8.352 1.00 0.00 N ATOM 493 CA ASN A 36 0.976 5.599 -9.080 1.00 0.00 C ATOM 494 C ASN A 36 0.872 7.098 -8.814 1.00 0.00 C ATOM 495 O ASN A 36 1.741 7.876 -9.204 1.00 0.00 O ATOM 496 CB ASN A 36 0.881 5.326 -10.588 1.00 0.00 C ATOM 497 CG ASN A 36 -0.394 5.861 -11.221 1.00 0.00 C ATOM 498 OD1 ASN A 36 -1.441 5.956 -10.575 1.00 0.00 O ATOM 499 ND2 ASN A 36 -0.315 6.205 -12.496 1.00 0.00 N ATOM 0 H ASN A 36 -0.908 4.685 -8.886 1.00 0.00 H new ATOM 0 HA ASN A 36 1.945 5.252 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.741 5.775 -11.086 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.939 4.251 -10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.138 6.564 -12.979 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.569 6.112 -12.996 1.00 0.00 H new ATOM 506 N ASN A 37 -0.192 7.490 -8.133 1.00 0.00 N ATOM 507 CA ASN A 37 -0.430 8.890 -7.807 1.00 0.00 C ATOM 508 C ASN A 37 -0.207 9.098 -6.311 1.00 0.00 C ATOM 509 O ASN A 37 -0.377 10.196 -5.779 1.00 0.00 O ATOM 510 CB ASN A 37 -1.862 9.269 -8.217 1.00 0.00 C ATOM 511 CG ASN A 37 -2.173 10.749 -8.062 1.00 0.00 C ATOM 512 OD1 ASN A 37 -1.872 11.555 -8.944 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.809 11.112 -6.958 1.00 0.00 N ATOM 0 H ASN A 37 -0.912 6.853 -7.792 1.00 0.00 H new ATOM 0 HA ASN A 37 0.262 9.533 -8.351 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.021 8.981 -9.256 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.566 8.694 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.067 12.089 -6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.041 10.415 -6.250 1.00 0.00 H new ATOM 520 N TRP A 38 0.231 8.026 -5.661 1.00 0.00 N ATOM 521 CA TRP A 38 0.338 7.970 -4.208 1.00 0.00 C ATOM 522 C TRP A 38 1.207 9.071 -3.628 1.00 0.00 C ATOM 523 O TRP A 38 0.704 9.945 -2.938 1.00 0.00 O ATOM 524 CB TRP A 38 0.881 6.620 -3.768 1.00 0.00 C ATOM 525 CG TRP A 38 -0.131 5.820 -3.044 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.408 5.568 -3.435 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.048 5.170 -1.792 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.042 4.805 -2.502 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.168 4.549 -1.468 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.123 5.056 -0.912 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.332 3.827 -0.287 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.955 4.340 0.247 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.262 3.740 0.552 1.00 0.00 C ATOM 0 H TRP A 38 0.523 7.168 -6.129 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.672 8.117 -3.825 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.223 6.065 -4.642 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.749 6.771 -3.127 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.855 5.921 -4.352 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.006 4.477 -2.559 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.071 5.522 -1.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.273 3.354 -0.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.782 4.241 0.934 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.361 3.191 1.477 1.00 0.00 H new ATOM 544 N ALA A 39 2.508 9.024 -3.907 1.00 0.00 N ATOM 545 CA ALA A 39 3.459 9.953 -3.295 1.00 0.00 C ATOM 546 C ALA A 39 3.032 11.408 -3.487 1.00 0.00 C ATOM 547 O ALA A 39 3.201 12.232 -2.590 1.00 0.00 O ATOM 548 CB ALA A 39 4.856 9.723 -3.855 1.00 0.00 C ATOM 0 H ALA A 39 2.928 8.354 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 39 3.473 9.758 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.553 10.421 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.170 8.701 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.847 9.882 -4.933 1.00 0.00 H new ATOM 554 N ALA A 40 2.450 11.705 -4.644 1.00 0.00 N ATOM 555 CA ALA A 40 1.992 13.053 -4.946 1.00 0.00 C ATOM 556 C ALA A 40 0.779 13.426 -4.095 1.00 0.00 C ATOM 557 O ALA A 40 0.782 14.451 -3.413 1.00 0.00 O ATOM 558 CB ALA A 40 1.669 13.181 -6.429 1.00 0.00 C ATOM 0 H ALA A 40 2.285 11.028 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 40 2.796 13.748 -4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.328 14.194 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.563 12.969 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.885 12.471 -6.693 1.00 0.00 H new ATOM 564 N ALA A 41 -0.244 12.577 -4.118 1.00 0.00 N ATOM 565 CA ALA A 41 -1.472 12.836 -3.373 1.00 0.00 C ATOM 566 C ALA A 41 -1.232 12.751 -1.871 1.00 0.00 C ATOM 567 O ALA A 41 -1.866 13.461 -1.087 1.00 0.00 O ATOM 568 CB ALA A 41 -2.560 11.862 -3.788 1.00 0.00 C ATOM 0 H ALA A 41 -0.247 11.703 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.799 13.849 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.469 12.069 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.762 11.974 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.232 10.842 -3.586 1.00 0.00 H new ATOM 574 N ALA A 42 -0.317 11.873 -1.482 1.00 0.00 N ATOM 575 CA ALA A 42 0.080 11.721 -0.092 1.00 0.00 C ATOM 576 C ALA A 42 0.656 13.024 0.443 1.00 0.00 C ATOM 577 O ALA A 42 0.258 13.495 1.506 1.00 0.00 O ATOM 578 CB ALA A 42 1.104 10.611 0.038 1.00 0.00 C ATOM 0 H ALA A 42 0.170 11.247 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.802 11.463 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.395 10.505 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.672 9.675 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.982 10.854 -0.560 1.00 0.00 H new ATOM 584 N GLN A 43 1.593 13.606 -0.300 1.00 0.00 N ATOM 585 CA GLN A 43 2.178 14.885 0.086 1.00 0.00 C ATOM 586 C GLN A 43 1.151 16.002 -0.037 1.00 0.00 C ATOM 587 O GLN A 43 1.202 16.986 0.701 1.00 0.00 O ATOM 588 CB GLN A 43 3.416 15.202 -0.754 1.00 0.00 C ATOM 589 CG GLN A 43 4.594 14.295 -0.449 1.00 0.00 C ATOM 590 CD GLN A 43 5.881 14.775 -1.088 1.00 0.00 C ATOM 591 OE1 GLN A 43 5.875 15.365 -2.168 1.00 0.00 O ATOM 592 NE2 GLN A 43 6.994 14.552 -0.408 1.00 0.00 N ATOM 0 H GLN A 43 1.961 13.215 -1.167 1.00 0.00 H new ATOM 0 HA GLN A 43 2.488 14.810 1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.162 15.114 -1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.709 16.238 -0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.730 14.233 0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.372 13.287 -0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.956 14.059 0.484 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.889 14.873 -0.776 1.00 0.00 H new ATOM 601 N GLY A 44 0.218 15.844 -0.970 1.00 0.00 N ATOM 602 CA GLY A 44 -0.888 16.774 -1.082 1.00 0.00 C ATOM 603 C GLY A 44 -1.742 16.783 0.171 1.00 0.00 C ATOM 604 O GLY A 44 -2.313 17.810 0.539 1.00 0.00 O ATOM 0 H GLY A 44 0.209 15.086 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.503 17.777 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.504 16.505 -1.940 1.00 0.00 H new ATOM 608 N ALA A 45 -1.829 15.631 0.825 1.00 0.00 N ATOM 609 CA ALA A 45 -2.536 15.517 2.091 1.00 0.00 C ATOM 610 C ALA A 45 -1.634 15.949 3.239 1.00 0.00 C ATOM 611 O ALA A 45 -2.088 16.558 4.207 1.00 0.00 O ATOM 612 CB ALA A 45 -3.025 14.092 2.298 1.00 0.00 C ATOM 0 H ALA A 45 -1.415 14.759 0.496 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.404 16.176 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.552 14.023 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.701 13.818 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.173 13.412 2.305 1.00 0.00 H new ATOM 618 N GLY A 46 -0.351 15.626 3.119 1.00 0.00 N ATOM 619 CA GLY A 46 0.622 16.051 4.105 1.00 0.00 C ATOM 620 C GLY A 46 1.374 14.892 4.735 1.00 0.00 C ATOM 621 O GLY A 46 1.809 14.985 5.882 1.00 0.00 O ATOM 0 H GLY A 46 0.033 15.074 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.336 16.727 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.115 16.616 4.887 1.00 0.00 H new ATOM 625 N PHE A 47 1.528 13.799 3.995 1.00 0.00 N ATOM 626 CA PHE A 47 2.250 12.638 4.514 1.00 0.00 C ATOM 627 C PHE A 47 3.747 12.794 4.277 1.00 0.00 C ATOM 628 O PHE A 47 4.175 13.504 3.361 1.00 0.00 O ATOM 629 CB PHE A 47 1.785 11.333 3.852 1.00 0.00 C ATOM 630 CG PHE A 47 0.305 11.063 3.919 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.512 11.711 4.831 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.267 10.152 3.046 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.869 11.457 4.862 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.619 9.887 3.074 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.422 10.544 3.982 1.00 0.00 C ATOM 0 H PHE A 47 1.169 13.691 3.047 1.00 0.00 H new ATOM 0 HA PHE A 47 2.039 12.585 5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.086 11.350 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.310 10.501 4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.084 12.421 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.359 9.640 2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.499 11.971 5.573 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.047 9.170 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.483 10.346 4.006 1.00 0.00 H new ATOM 645 N THR A 48 4.532 12.119 5.095 1.00 0.00 N ATOM 646 CA THR A 48 5.973 12.089 4.935 1.00 0.00 C ATOM 647 C THR A 48 6.360 10.852 4.125 1.00 0.00 C ATOM 648 O THR A 48 5.992 9.739 4.486 1.00 0.00 O ATOM 649 CB THR A 48 6.666 12.041 6.309 1.00 0.00 C ATOM 650 OG1 THR A 48 5.955 12.864 7.251 1.00 0.00 O ATOM 651 CG2 THR A 48 8.101 12.528 6.204 1.00 0.00 C ATOM 0 H THR A 48 4.189 11.577 5.888 1.00 0.00 H new ATOM 0 HA THR A 48 6.293 12.992 4.414 1.00 0.00 H new ATOM 0 HB THR A 48 6.666 11.007 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.296 12.319 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.572 12.486 7.186 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.651 11.892 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.111 13.556 5.841 1.00 0.00 H new ATOM 659 N VAL A 49 7.073 11.029 3.024 1.00 0.00 N ATOM 660 CA VAL A 49 7.376 9.896 2.157 1.00 0.00 C ATOM 661 C VAL A 49 8.787 9.941 1.571 1.00 0.00 C ATOM 662 O VAL A 49 9.192 10.916 0.934 1.00 0.00 O ATOM 663 CB VAL A 49 6.323 9.759 1.029 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.871 11.122 0.556 1.00 0.00 C ATOM 665 CG2 VAL A 49 6.850 8.936 -0.141 1.00 0.00 C ATOM 0 H VAL A 49 7.447 11.925 2.712 1.00 0.00 H new ATOM 0 HA VAL A 49 7.332 9.012 2.794 1.00 0.00 H new ATOM 0 HB VAL A 49 5.466 9.228 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.132 11.005 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.427 11.668 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.728 11.677 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.081 8.864 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.735 9.419 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.111 7.936 0.206 1.00 0.00 H new ATOM 675 N ASN A 50 9.528 8.868 1.830 1.00 0.00 N ATOM 676 CA ASN A 50 10.781 8.587 1.161 1.00 0.00 C ATOM 677 C ASN A 50 10.646 7.192 0.560 1.00 0.00 C ATOM 678 O ASN A 50 9.547 6.814 0.151 1.00 0.00 O ATOM 679 CB ASN A 50 11.971 8.693 2.137 1.00 0.00 C ATOM 680 CG ASN A 50 11.932 7.695 3.281 1.00 0.00 C ATOM 681 OD1 ASN A 50 12.499 6.608 3.188 1.00 0.00 O ATOM 682 ND2 ASN A 50 11.283 8.060 4.372 1.00 0.00 N ATOM 0 H ASN A 50 9.266 8.164 2.520 1.00 0.00 H new ATOM 0 HA ASN A 50 10.985 9.316 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.897 8.552 1.579 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.998 9.701 2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.240 7.432 5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.825 8.970 4.412 1.00 0.00 H new ATOM 689 N HIS A 51 11.708 6.411 0.515 1.00 0.00 N ATOM 690 CA HIS A 51 11.595 5.074 -0.048 1.00 0.00 C ATOM 691 C HIS A 51 12.362 4.024 0.755 1.00 0.00 C ATOM 692 O HIS A 51 13.474 3.621 0.406 1.00 0.00 O ATOM 693 CB HIS A 51 11.994 5.041 -1.537 1.00 0.00 C ATOM 694 CG HIS A 51 13.331 5.641 -1.869 1.00 0.00 C ATOM 695 ND1 HIS A 51 13.492 6.959 -2.237 1.00 0.00 N ATOM 696 CD2 HIS A 51 14.563 5.087 -1.928 1.00 0.00 C ATOM 697 CE1 HIS A 51 14.762 7.186 -2.509 1.00 0.00 C ATOM 698 NE2 HIS A 51 15.434 6.067 -2.328 1.00 0.00 N ATOM 0 H HIS A 51 12.637 6.667 0.851 1.00 0.00 H new ATOM 0 HA HIS A 51 10.540 4.809 0.019 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.989 4.004 -1.872 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.229 5.565 -2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.814 4.061 -1.702 1.00 0.00 H new ATOM 0 HE1 HIS A 51 15.181 8.130 -2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 51 16.438 5.949 -2.463 1.00 0.00 H new ATOM 707 N THR A 52 11.765 3.626 1.868 1.00 0.00 N ATOM 708 CA THR A 52 12.218 2.475 2.644 1.00 0.00 C ATOM 709 C THR A 52 11.046 1.899 3.447 1.00 0.00 C ATOM 710 O THR A 52 10.573 2.532 4.390 1.00 0.00 O ATOM 711 CB THR A 52 13.363 2.850 3.612 1.00 0.00 C ATOM 712 OG1 THR A 52 14.438 3.452 2.880 1.00 0.00 O ATOM 713 CG2 THR A 52 13.878 1.623 4.353 1.00 0.00 C ATOM 0 H THR A 52 10.948 4.093 2.263 1.00 0.00 H new ATOM 0 HA THR A 52 12.597 1.732 1.942 1.00 0.00 H new ATOM 0 HB THR A 52 12.972 3.557 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.350 3.232 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.683 1.916 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.066 1.178 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.254 0.895 3.634 1.00 0.00 H new ATOM 721 N PRO A 53 10.543 0.701 3.076 1.00 0.00 N ATOM 722 CA PRO A 53 9.396 0.075 3.753 1.00 0.00 C ATOM 723 C PRO A 53 9.606 -0.084 5.258 1.00 0.00 C ATOM 724 O PRO A 53 10.739 -0.093 5.746 1.00 0.00 O ATOM 725 CB PRO A 53 9.280 -1.301 3.083 1.00 0.00 C ATOM 726 CG PRO A 53 10.589 -1.510 2.401 1.00 0.00 C ATOM 727 CD PRO A 53 11.044 -0.145 1.983 1.00 0.00 C ATOM 0 HA PRO A 53 8.500 0.688 3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.089 -2.083 3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.456 -1.325 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.311 -1.976 3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.482 -2.169 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.129 -0.089 1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.626 0.146 1.019 1.00 0.00 H new ATOM 735 N SER A 54 8.506 -0.233 5.987 1.00 0.00 N ATOM 736 CA SER A 54 8.534 -0.258 7.439 1.00 0.00 C ATOM 737 C SER A 54 7.231 -0.831 7.971 1.00 0.00 C ATOM 738 O SER A 54 6.178 -0.677 7.345 1.00 0.00 O ATOM 739 CB SER A 54 8.756 1.153 8.000 1.00 0.00 C ATOM 740 OG SER A 54 10.056 1.636 7.688 1.00 0.00 O ATOM 0 H SER A 54 7.574 -0.339 5.587 1.00 0.00 H new ATOM 0 HA SER A 54 9.362 -0.891 7.760 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.007 1.831 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.620 1.142 9.081 1.00 0.00 H new ATOM 0 HG SER A 54 10.586 0.915 7.288 1.00 0.00 H new ATOM 746 N LYS A 55 7.309 -1.508 9.107 1.00 0.00 N ATOM 747 CA LYS A 55 6.133 -2.098 9.735 1.00 0.00 C ATOM 748 C LYS A 55 5.104 -1.020 10.070 1.00 0.00 C ATOM 749 O LYS A 55 5.370 -0.129 10.878 1.00 0.00 O ATOM 750 CB LYS A 55 6.543 -2.847 11.004 1.00 0.00 C ATOM 751 CG LYS A 55 5.381 -3.490 11.740 1.00 0.00 C ATOM 752 CD LYS A 55 5.863 -4.266 12.953 1.00 0.00 C ATOM 753 CE LYS A 55 4.706 -4.857 13.742 1.00 0.00 C ATOM 754 NZ LYS A 55 5.184 -5.653 14.901 1.00 0.00 N ATOM 0 H LYS A 55 8.179 -1.664 9.616 1.00 0.00 H new ATOM 0 HA LYS A 55 5.679 -2.800 9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.266 -3.619 10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.048 -2.154 11.677 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.675 -2.721 12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.845 -4.159 11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.530 -5.066 12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.444 -3.607 13.598 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.057 -4.055 14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.105 -5.489 13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.368 -6.041 15.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.783 -6.433 14.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.737 -5.043 15.537 1.00 0.00 H new ATOM 768 N GLY A 56 3.945 -1.095 9.427 1.00 0.00 N ATOM 769 CA GLY A 56 2.894 -0.130 9.683 1.00 0.00 C ATOM 770 C GLY A 56 2.743 0.878 8.561 1.00 0.00 C ATOM 771 O GLY A 56 1.842 1.717 8.587 1.00 0.00 O ATOM 0 H GLY A 56 3.715 -1.807 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.950 -0.656 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.108 0.396 10.613 1.00 0.00 H new ATOM 775 N ALA A 57 3.630 0.807 7.577 1.00 0.00 N ATOM 776 CA ALA A 57 3.575 1.716 6.442 1.00 0.00 C ATOM 777 C ALA A 57 3.131 0.978 5.186 1.00 0.00 C ATOM 778 O ALA A 57 2.713 -0.177 5.256 1.00 0.00 O ATOM 779 CB ALA A 57 4.923 2.381 6.225 1.00 0.00 C ATOM 0 H ALA A 57 4.393 0.131 7.543 1.00 0.00 H new ATOM 0 HA ALA A 57 2.842 2.493 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.862 3.057 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.198 2.945 7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.678 1.619 6.031 1.00 0.00 H new ATOM 785 N ILE A 58 3.210 1.640 4.038 1.00 0.00 N ATOM 786 CA ILE A 58 2.766 1.034 2.791 1.00 0.00 C ATOM 787 C ILE A 58 3.824 1.182 1.705 1.00 0.00 C ATOM 788 O ILE A 58 4.419 2.241 1.545 1.00 0.00 O ATOM 789 CB ILE A 58 1.446 1.640 2.268 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.359 1.668 3.351 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.956 0.855 1.058 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.447 2.857 4.289 1.00 0.00 C ATOM 0 H ILE A 58 3.574 2.588 3.945 1.00 0.00 H new ATOM 0 HA ILE A 58 2.598 -0.019 3.018 1.00 0.00 H new ATOM 0 HB ILE A 58 1.649 2.671 1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.619 1.671 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.422 0.751 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.024 1.289 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.707 0.896 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.786 -0.183 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.356 2.801 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.409 2.846 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.352 3.780 3.717 1.00 0.00 H new ATOM 804 N LEU A 59 4.027 0.109 0.964 1.00 0.00 N ATOM 805 CA LEU A 59 4.999 0.049 -0.116 1.00 0.00 C ATOM 806 C LEU A 59 4.388 0.619 -1.398 1.00 0.00 C ATOM 807 O LEU A 59 3.251 0.294 -1.730 1.00 0.00 O ATOM 808 CB LEU A 59 5.368 -1.416 -0.326 1.00 0.00 C ATOM 809 CG LEU A 59 6.591 -1.685 -1.180 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.849 -1.653 -0.327 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.442 -3.017 -1.892 1.00 0.00 C ATOM 0 H LEU A 59 3.513 -0.762 1.097 1.00 0.00 H new ATOM 0 HA LEU A 59 5.884 0.635 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.526 -1.872 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.516 -1.922 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 59 6.680 -0.903 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.719 -1.848 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.949 -0.672 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.782 -2.416 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.325 -3.203 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.336 -3.813 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.558 -2.992 -2.529 1.00 0.00 H new ATOM 823 N GLN A 60 5.129 1.449 -2.124 1.00 0.00 N ATOM 824 CA GLN A 60 4.583 2.101 -3.313 1.00 0.00 C ATOM 825 C GLN A 60 5.570 2.097 -4.480 1.00 0.00 C ATOM 826 O GLN A 60 6.747 2.392 -4.320 1.00 0.00 O ATOM 827 CB GLN A 60 4.164 3.540 -2.964 1.00 0.00 C ATOM 828 CG GLN A 60 3.445 4.292 -4.080 1.00 0.00 C ATOM 829 CD GLN A 60 4.374 5.104 -4.967 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.421 5.577 -4.533 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.979 5.291 -6.214 1.00 0.00 N ATOM 0 H GLN A 60 6.099 1.686 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 60 3.711 1.533 -3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.514 3.511 -2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.054 4.103 -2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.902 3.576 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.704 4.959 -3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.103 4.882 -6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.550 5.844 -6.852 1.00 0.00 H new ATOM 840 N SER A 61 5.065 1.753 -5.658 1.00 0.00 N ATOM 841 CA SER A 61 5.838 1.818 -6.889 1.00 0.00 C ATOM 842 C SER A 61 5.154 2.773 -7.857 1.00 0.00 C ATOM 843 O SER A 61 3.922 2.850 -7.899 1.00 0.00 O ATOM 844 CB SER A 61 5.971 0.425 -7.517 1.00 0.00 C ATOM 845 OG SER A 61 6.768 0.451 -8.690 1.00 0.00 O ATOM 0 H SER A 61 4.109 1.422 -5.786 1.00 0.00 H new ATOM 0 HA SER A 61 6.840 2.183 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.412 -0.260 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.981 0.039 -7.759 1.00 0.00 H new ATOM 0 HG SER A 61 6.832 -0.453 -9.062 1.00 0.00 H new ATOM 851 N SER A 62 5.956 3.497 -8.623 1.00 0.00 N ATOM 852 CA SER A 62 5.449 4.491 -9.550 1.00 0.00 C ATOM 853 C SER A 62 4.987 3.814 -10.839 1.00 0.00 C ATOM 854 O SER A 62 4.008 4.227 -11.462 1.00 0.00 O ATOM 855 CB SER A 62 6.543 5.525 -9.841 1.00 0.00 C ATOM 856 OG SER A 62 6.028 6.668 -10.501 1.00 0.00 O ATOM 0 H SER A 62 6.972 3.411 -8.618 1.00 0.00 H new ATOM 0 HA SER A 62 4.594 5.001 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.014 5.827 -8.906 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.319 5.069 -10.456 1.00 0.00 H new ATOM 0 HG SER A 62 6.754 7.304 -10.668 1.00 0.00 H new ATOM 862 N GLU A 63 5.694 2.760 -11.224 1.00 0.00 N ATOM 863 CA GLU A 63 5.352 2.003 -12.417 1.00 0.00 C ATOM 864 C GLU A 63 4.305 0.940 -12.100 1.00 0.00 C ATOM 865 O GLU A 63 4.089 0.594 -10.934 1.00 0.00 O ATOM 866 CB GLU A 63 6.604 1.356 -13.015 1.00 0.00 C ATOM 867 CG GLU A 63 7.378 0.490 -12.036 1.00 0.00 C ATOM 868 CD GLU A 63 8.562 -0.193 -12.683 1.00 0.00 C ATOM 869 OE1 GLU A 63 9.607 0.463 -12.865 1.00 0.00 O ATOM 870 OE2 GLU A 63 8.446 -1.388 -13.026 1.00 0.00 O ATOM 0 H GLU A 63 6.511 2.410 -10.724 1.00 0.00 H new ATOM 0 HA GLU A 63 4.931 2.691 -13.150 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.313 0.748 -13.871 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.262 2.140 -13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.726 1.106 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.712 -0.264 -11.616 1.00 0.00 H new ATOM 877 N GLY A 64 3.665 0.429 -13.143 1.00 0.00 N ATOM 878 CA GLY A 64 2.628 -0.569 -12.977 1.00 0.00 C ATOM 879 C GLY A 64 1.369 -0.199 -13.735 1.00 0.00 C ATOM 880 O GLY A 64 1.352 0.809 -14.446 1.00 0.00 O ATOM 0 H GLY A 64 3.849 0.692 -14.111 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.993 -1.535 -13.327 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.396 -0.680 -11.918 1.00 0.00 H new ATOM 884 N PRO A 65 0.291 -0.988 -13.598 1.00 0.00 N ATOM 885 CA PRO A 65 -0.976 -0.719 -14.283 1.00 0.00 C ATOM 886 C PRO A 65 -1.608 0.568 -13.775 1.00 0.00 C ATOM 887 O PRO A 65 -2.084 1.401 -14.546 1.00 0.00 O ATOM 888 CB PRO A 65 -1.863 -1.917 -13.921 1.00 0.00 C ATOM 889 CG PRO A 65 -0.951 -2.938 -13.330 1.00 0.00 C ATOM 890 CD PRO A 65 0.219 -2.191 -12.759 1.00 0.00 C ATOM 0 HA PRO A 65 -0.842 -0.596 -15.358 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.638 -1.628 -13.211 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.369 -2.309 -14.803 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.461 -3.510 -12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.623 -3.650 -14.088 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.064 -1.941 -11.709 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.137 -2.776 -12.815 1.00 0.00 H new ATOM 898 N PHE A 66 -1.594 0.714 -12.463 1.00 0.00 N ATOM 899 CA PHE A 66 -2.119 1.893 -11.798 1.00 0.00 C ATOM 900 C PHE A 66 -1.188 2.253 -10.654 1.00 0.00 C ATOM 901 O PHE A 66 -1.548 2.987 -9.735 1.00 0.00 O ATOM 902 CB PHE A 66 -3.538 1.629 -11.275 1.00 0.00 C ATOM 903 CG PHE A 66 -3.595 0.637 -10.144 1.00 0.00 C ATOM 904 CD1 PHE A 66 -3.190 -0.674 -10.330 1.00 0.00 C ATOM 905 CD2 PHE A 66 -4.048 1.021 -8.892 1.00 0.00 C ATOM 906 CE1 PHE A 66 -3.237 -1.582 -9.293 1.00 0.00 C ATOM 907 CE2 PHE A 66 -4.098 0.117 -7.851 1.00 0.00 C ATOM 908 CZ PHE A 66 -3.691 -1.187 -8.052 1.00 0.00 C ATOM 0 H PHE A 66 -1.216 0.014 -11.825 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.175 2.722 -12.504 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.973 2.571 -10.942 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.156 1.265 -12.096 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.833 -0.989 -11.299 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.366 2.040 -8.729 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.919 -2.602 -9.453 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.455 0.429 -6.881 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.728 -1.897 -7.239 1.00 0.00 H new ATOM 918 N GLY A 67 0.028 1.731 -10.746 1.00 0.00 N ATOM 919 CA GLY A 67 0.982 1.843 -9.668 1.00 0.00 C ATOM 920 C GLY A 67 1.046 0.562 -8.860 1.00 0.00 C ATOM 921 O GLY A 67 0.473 -0.450 -9.259 1.00 0.00 O ATOM 0 H GLY A 67 0.371 1.225 -11.563 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.968 2.071 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.705 2.673 -9.018 1.00 0.00 H new ATOM 925 N HIS A 68 1.724 0.602 -7.724 1.00 0.00 N ATOM 926 CA HIS A 68 1.835 -0.571 -6.864 1.00 0.00 C ATOM 927 C HIS A 68 1.856 -0.156 -5.402 1.00 0.00 C ATOM 928 O HIS A 68 2.888 0.291 -4.917 1.00 0.00 O ATOM 929 CB HIS A 68 3.133 -1.327 -7.174 1.00 0.00 C ATOM 930 CG HIS A 68 3.206 -2.712 -6.592 1.00 0.00 C ATOM 931 ND1 HIS A 68 3.887 -3.739 -7.203 1.00 0.00 N ATOM 932 CD2 HIS A 68 2.698 -3.235 -5.448 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.794 -4.829 -6.467 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.079 -4.551 -5.396 1.00 0.00 N ATOM 0 H HIS A 68 2.205 1.431 -7.375 1.00 0.00 H new ATOM 0 HA HIS A 68 0.974 -1.213 -7.051 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.249 -1.395 -8.256 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.975 -0.745 -6.800 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.103 -2.712 -4.714 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.231 -5.788 -6.703 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.847 -5.207 -4.650 1.00 0.00 H new ATOM 943 N VAL A 69 0.738 -0.277 -4.694 1.00 0.00 N ATOM 944 CA VAL A 69 0.765 -0.043 -3.265 1.00 0.00 C ATOM 945 C VAL A 69 0.416 -1.296 -2.479 1.00 0.00 C ATOM 946 O VAL A 69 -0.702 -1.810 -2.532 1.00 0.00 O ATOM 947 CB VAL A 69 -0.142 1.125 -2.857 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.407 2.407 -3.445 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.575 0.901 -3.308 1.00 0.00 C ATOM 0 H VAL A 69 -0.173 -0.529 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 69 1.790 0.231 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.154 1.196 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.233 3.242 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.416 2.577 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.434 2.326 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.189 1.748 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.604 0.805 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.961 -0.011 -2.853 1.00 0.00 H new ATOM 959 N ALA A 70 1.404 -1.786 -1.761 1.00 0.00 N ATOM 960 CA ALA A 70 1.250 -2.965 -0.941 1.00 0.00 C ATOM 961 C ALA A 70 1.490 -2.595 0.506 1.00 0.00 C ATOM 962 O ALA A 70 2.543 -2.065 0.842 1.00 0.00 O ATOM 963 CB ALA A 70 2.227 -4.042 -1.382 1.00 0.00 C ATOM 0 H ALA A 70 2.338 -1.376 -1.731 1.00 0.00 H new ATOM 0 HA ALA A 70 0.239 -3.357 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.101 -4.926 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.035 -4.304 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.247 -3.670 -1.284 1.00 0.00 H new ATOM 969 N TYR A 71 0.530 -2.865 1.365 1.00 0.00 N ATOM 970 CA TYR A 71 0.659 -2.478 2.754 1.00 0.00 C ATOM 971 C TYR A 71 1.730 -3.325 3.429 1.00 0.00 C ATOM 972 O TYR A 71 1.743 -4.548 3.301 1.00 0.00 O ATOM 973 CB TYR A 71 -0.691 -2.607 3.466 1.00 0.00 C ATOM 974 CG TYR A 71 -0.591 -2.599 4.974 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.410 -3.784 5.676 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.671 -1.415 5.693 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.314 -3.788 7.054 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.577 -1.411 7.073 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.398 -2.600 7.748 1.00 0.00 C ATOM 980 OH TYR A 71 -0.310 -2.603 9.123 1.00 0.00 O ATOM 0 H TYR A 71 -0.339 -3.345 1.130 1.00 0.00 H new ATOM 0 HA TYR A 71 0.967 -1.434 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.337 -1.788 3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.171 -3.532 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.343 -4.717 5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.809 -0.482 5.167 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.174 -4.718 7.585 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.643 -0.482 7.619 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.387 -1.685 9.458 1.00 0.00 H new ATOM 990 N VAL A 72 2.633 -2.662 4.131 1.00 0.00 N ATOM 991 CA VAL A 72 3.767 -3.327 4.742 1.00 0.00 C ATOM 992 C VAL A 72 3.399 -3.845 6.122 1.00 0.00 C ATOM 993 O VAL A 72 3.248 -3.071 7.071 1.00 0.00 O ATOM 994 CB VAL A 72 4.978 -2.383 4.864 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.208 -3.151 5.315 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.239 -1.668 3.547 1.00 0.00 C ATOM 0 H VAL A 72 2.600 -1.655 4.292 1.00 0.00 H new ATOM 0 HA VAL A 72 4.039 -4.161 4.096 1.00 0.00 H new ATOM 0 HB VAL A 72 4.751 -1.629 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.054 -2.468 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.016 -3.608 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.438 -3.929 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.098 -1.007 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.443 -2.403 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.363 -1.081 3.271 1.00 0.00 H new ATOM 1006 N GLU A 73 3.256 -5.155 6.221 1.00 0.00 N ATOM 1007 CA GLU A 73 2.888 -5.797 7.471 1.00 0.00 C ATOM 1008 C GLU A 73 4.031 -5.700 8.472 1.00 0.00 C ATOM 1009 O GLU A 73 3.804 -5.487 9.664 1.00 0.00 O ATOM 1010 CB GLU A 73 2.529 -7.265 7.216 1.00 0.00 C ATOM 1011 CG GLU A 73 1.310 -7.452 6.328 1.00 0.00 C ATOM 1012 CD GLU A 73 0.003 -7.370 7.091 1.00 0.00 C ATOM 1013 OE1 GLU A 73 -0.051 -6.697 8.142 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -0.984 -7.993 6.650 1.00 0.00 O ATOM 0 H GLU A 73 3.391 -5.800 5.443 1.00 0.00 H new ATOM 0 HA GLU A 73 2.020 -5.287 7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.382 -7.764 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.350 -7.757 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.316 -6.692 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.374 -8.420 5.831 1.00 0.00 H new ATOM 1021 N SER A 74 5.259 -5.817 7.966 1.00 0.00 N ATOM 1022 CA SER A 74 6.444 -5.842 8.810 1.00 0.00 C ATOM 1023 C SER A 74 7.686 -6.088 7.958 1.00 0.00 C ATOM 1024 O SER A 74 7.613 -6.746 6.920 1.00 0.00 O ATOM 1025 CB SER A 74 6.322 -6.948 9.870 1.00 0.00 C ATOM 1026 OG SER A 74 7.365 -6.870 10.828 1.00 0.00 O ATOM 0 H SER A 74 5.455 -5.896 6.968 1.00 0.00 H new ATOM 0 HA SER A 74 6.533 -4.878 9.311 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.358 -6.866 10.373 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.346 -7.923 9.384 1.00 0.00 H new ATOM 0 HG SER A 74 7.257 -7.586 11.488 1.00 0.00 H new ATOM 1032 N VAL A 75 8.814 -5.543 8.382 1.00 0.00 N ATOM 1033 CA VAL A 75 10.085 -5.845 7.748 1.00 0.00 C ATOM 1034 C VAL A 75 10.821 -6.876 8.593 1.00 0.00 C ATOM 1035 O VAL A 75 10.944 -6.716 9.811 1.00 0.00 O ATOM 1036 CB VAL A 75 10.961 -4.584 7.577 1.00 0.00 C ATOM 1037 CG1 VAL A 75 12.262 -4.920 6.857 1.00 0.00 C ATOM 1038 CG2 VAL A 75 10.199 -3.504 6.828 1.00 0.00 C ATOM 0 H VAL A 75 8.875 -4.889 9.163 1.00 0.00 H new ATOM 0 HA VAL A 75 9.887 -6.238 6.751 1.00 0.00 H new ATOM 0 HB VAL A 75 11.211 -4.206 8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.862 -4.016 6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.818 -5.657 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.038 -5.327 5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.831 -2.623 6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.917 -3.875 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.302 -3.238 7.386 1.00 0.00 H new ATOM 1048 N ASN A 76 11.289 -7.938 7.956 1.00 0.00 N ATOM 1049 CA ASN A 76 11.902 -9.050 8.668 1.00 0.00 C ATOM 1050 C ASN A 76 13.267 -8.660 9.226 1.00 0.00 C ATOM 1051 O ASN A 76 13.802 -7.599 8.905 1.00 0.00 O ATOM 1052 CB ASN A 76 12.034 -10.272 7.753 1.00 0.00 C ATOM 1053 CG ASN A 76 10.689 -10.859 7.367 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.724 -10.786 8.127 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.614 -11.451 6.184 1.00 0.00 N ATOM 0 H ASN A 76 11.256 -8.054 6.943 1.00 0.00 H new ATOM 0 HA ASN A 76 11.252 -9.308 9.504 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.575 -9.989 6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.629 -11.035 8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.734 -11.866 5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.436 -11.492 5.581 1.00 0.00 H new ATOM 1062 N SER A 77 13.831 -9.535 10.047 1.00 0.00 N ATOM 1063 CA SER A 77 15.087 -9.255 10.729 1.00 0.00 C ATOM 1064 C SER A 77 16.261 -9.298 9.756 1.00 0.00 C ATOM 1065 O SER A 77 17.287 -8.653 9.972 1.00 0.00 O ATOM 1066 CB SER A 77 15.298 -10.274 11.846 1.00 0.00 C ATOM 1067 OG SER A 77 14.148 -10.364 12.673 1.00 0.00 O ATOM 0 H SER A 77 13.435 -10.451 10.258 1.00 0.00 H new ATOM 0 HA SER A 77 15.036 -8.252 11.152 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.519 -11.251 11.416 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.161 -9.988 12.447 1.00 0.00 H new ATOM 0 HG SER A 77 14.305 -11.024 13.381 1.00 0.00 H new ATOM 1073 N ASP A 78 16.103 -10.057 8.681 1.00 0.00 N ATOM 1074 CA ASP A 78 17.167 -10.220 7.701 1.00 0.00 C ATOM 1075 C ASP A 78 17.194 -9.057 6.715 1.00 0.00 C ATOM 1076 O ASP A 78 18.247 -8.723 6.169 1.00 0.00 O ATOM 1077 CB ASP A 78 16.992 -11.534 6.944 1.00 0.00 C ATOM 1078 CG ASP A 78 15.662 -11.609 6.224 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.675 -12.064 6.843 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.597 -11.198 5.049 1.00 0.00 O ATOM 0 H ASP A 78 15.248 -10.570 8.465 1.00 0.00 H new ATOM 0 HA ASP A 78 18.115 -10.236 8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.801 -11.645 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.072 -12.367 7.643 1.00 0.00 H new ATOM 1085 N GLY A 79 16.052 -8.414 6.522 1.00 0.00 N ATOM 1086 CA GLY A 79 15.976 -7.320 5.573 1.00 0.00 C ATOM 1087 C GLY A 79 14.825 -7.470 4.601 1.00 0.00 C ATOM 1088 O GLY A 79 14.368 -6.485 4.019 1.00 0.00 O ATOM 0 H GLY A 79 15.179 -8.628 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.868 -6.381 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.911 -7.261 5.016 1.00 0.00 H new ATOM 1092 N SER A 80 14.364 -8.700 4.408 1.00 0.00 N ATOM 1093 CA SER A 80 13.215 -8.952 3.554 1.00 0.00 C ATOM 1094 C SER A 80 11.954 -8.365 4.180 1.00 0.00 C ATOM 1095 O SER A 80 11.792 -8.375 5.396 1.00 0.00 O ATOM 1096 CB SER A 80 13.038 -10.452 3.331 1.00 0.00 C ATOM 1097 OG SER A 80 14.229 -11.037 2.834 1.00 0.00 O ATOM 0 H SER A 80 14.769 -9.535 4.831 1.00 0.00 H new ATOM 0 HA SER A 80 13.387 -8.472 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.757 -10.932 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.223 -10.625 2.628 1.00 0.00 H new ATOM 0 HG SER A 80 14.857 -11.178 3.573 1.00 0.00 H new ATOM 1103 N VAL A 81 11.071 -7.852 3.351 1.00 0.00 N ATOM 1104 CA VAL A 81 9.875 -7.184 3.826 1.00 0.00 C ATOM 1105 C VAL A 81 8.627 -8.004 3.524 1.00 0.00 C ATOM 1106 O VAL A 81 8.415 -8.446 2.394 1.00 0.00 O ATOM 1107 CB VAL A 81 9.741 -5.786 3.191 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.503 -5.072 3.708 1.00 0.00 C ATOM 1109 CG2 VAL A 81 10.987 -4.961 3.467 1.00 0.00 C ATOM 0 H VAL A 81 11.159 -7.885 2.335 1.00 0.00 H new ATOM 0 HA VAL A 81 9.969 -7.078 4.907 1.00 0.00 H new ATOM 0 HB VAL A 81 9.634 -5.908 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.431 -4.088 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.616 -5.656 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.573 -4.960 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.879 -3.976 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.120 -4.852 4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.857 -5.463 3.043 1.00 0.00 H new ATOM 1119 N THR A 82 7.811 -8.207 4.548 1.00 0.00 N ATOM 1120 CA THR A 82 6.546 -8.901 4.401 1.00 0.00 C ATOM 1121 C THR A 82 5.425 -7.891 4.164 1.00 0.00 C ATOM 1122 O THR A 82 5.097 -7.090 5.045 1.00 0.00 O ATOM 1123 CB THR A 82 6.226 -9.735 5.660 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.361 -10.541 6.015 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.015 -10.629 5.428 1.00 0.00 C ATOM 0 H THR A 82 8.008 -7.896 5.499 1.00 0.00 H new ATOM 0 HA THR A 82 6.623 -9.573 3.547 1.00 0.00 H new ATOM 0 HB THR A 82 5.997 -9.048 6.475 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.152 -11.066 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.811 -11.206 6.330 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.149 -10.013 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.218 -11.309 4.601 1.00 0.00 H new ATOM 1133 N ILE A 83 4.861 -7.907 2.968 1.00 0.00 N ATOM 1134 CA ILE A 83 3.779 -6.999 2.629 1.00 0.00 C ATOM 1135 C ILE A 83 2.494 -7.771 2.366 1.00 0.00 C ATOM 1136 O ILE A 83 2.510 -8.998 2.246 1.00 0.00 O ATOM 1137 CB ILE A 83 4.131 -6.118 1.399 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.481 -6.972 0.168 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.280 -5.178 1.731 1.00 0.00 C ATOM 1140 CD1 ILE A 83 3.274 -7.448 -0.616 1.00 0.00 C ATOM 0 H ILE A 83 5.135 -8.539 2.216 1.00 0.00 H new ATOM 0 HA ILE A 83 3.630 -6.339 3.483 1.00 0.00 H new ATOM 0 HB ILE A 83 3.247 -5.529 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.125 -6.392 -0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.056 -7.839 0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.514 -4.568 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.993 -4.531 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.157 -5.761 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.605 -8.043 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.639 -8.057 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.709 -6.587 -0.973 1.00 0.00 H new ATOM 1152 N SER A 84 1.389 -7.054 2.279 1.00 0.00 N ATOM 1153 CA SER A 84 0.114 -7.657 1.950 1.00 0.00 C ATOM 1154 C SER A 84 -0.667 -6.728 1.025 1.00 0.00 C ATOM 1155 O SER A 84 -0.998 -5.595 1.389 1.00 0.00 O ATOM 1156 CB SER A 84 -0.680 -7.950 3.224 1.00 0.00 C ATOM 1157 OG SER A 84 -1.789 -8.791 2.957 1.00 0.00 O ATOM 0 H SER A 84 1.351 -6.046 2.433 1.00 0.00 H new ATOM 0 HA SER A 84 0.285 -8.602 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.030 -8.424 3.959 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.027 -7.014 3.662 1.00 0.00 H new ATOM 0 HG SER A 84 -2.595 -8.408 3.362 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.931 -7.204 -0.179 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.640 -6.424 -1.186 1.00 0.00 C ATOM 1165 C GLU A 85 -2.765 -7.248 -1.815 1.00 0.00 C ATOM 1166 O GLU A 85 -2.527 -8.231 -2.505 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.662 -5.936 -2.264 1.00 0.00 C ATOM 1168 CG GLU A 85 0.148 -7.053 -2.911 1.00 0.00 C ATOM 1169 CD GLU A 85 1.106 -6.550 -3.970 1.00 0.00 C ATOM 1170 OE1 GLU A 85 0.678 -6.343 -5.121 1.00 0.00 O ATOM 1171 OE2 GLU A 85 2.300 -6.362 -3.662 1.00 0.00 O ATOM 0 H GLU A 85 -0.662 -8.138 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.086 -5.556 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.222 -5.411 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.023 -5.214 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.711 -7.580 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.533 -7.776 -3.359 1.00 0.00 H new ATOM 1178 N MET A 86 -3.996 -6.855 -1.557 1.00 0.00 N ATOM 1179 CA MET A 86 -5.145 -7.576 -2.075 1.00 0.00 C ATOM 1180 C MET A 86 -5.447 -7.188 -3.521 1.00 0.00 C ATOM 1181 O MET A 86 -5.537 -6.006 -3.853 1.00 0.00 O ATOM 1182 CB MET A 86 -6.363 -7.317 -1.192 1.00 0.00 C ATOM 1183 CG MET A 86 -7.612 -8.040 -1.652 1.00 0.00 C ATOM 1184 SD MET A 86 -8.977 -7.893 -0.484 1.00 0.00 S ATOM 1185 CE MET A 86 -8.377 -8.901 0.870 1.00 0.00 C ATOM 0 H MET A 86 -4.228 -6.039 -0.991 1.00 0.00 H new ATOM 0 HA MET A 86 -4.909 -8.640 -2.062 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.132 -7.622 -0.171 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.562 -6.246 -1.168 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.922 -7.641 -2.618 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.381 -9.095 -1.802 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.968 -9.815 0.933 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.331 -9.157 0.698 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.466 -8.346 1.804 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.573 -8.207 -4.370 1.00 0.00 N ATOM 1196 CA ASN A 87 -5.990 -8.061 -5.768 1.00 0.00 C ATOM 1197 C ASN A 87 -4.885 -7.485 -6.644 1.00 0.00 C ATOM 1198 O ASN A 87 -4.384 -8.180 -7.530 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.261 -7.218 -5.899 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.707 -7.077 -7.342 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -7.426 -7.928 -8.172 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -8.401 -6.001 -7.651 1.00 0.00 N ATOM 0 H ASN A 87 -5.386 -9.174 -4.104 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.208 -9.068 -6.124 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.060 -7.676 -5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.084 -6.229 -5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.722 -5.859 -8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.618 -5.310 -6.932 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.520 -6.220 -6.410 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.526 -5.534 -7.248 1.00 0.00 C ATOM 1211 C TYR A 88 -4.022 -5.457 -8.705 1.00 0.00 C ATOM 1212 O TYR A 88 -3.234 -5.429 -9.653 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.171 -6.265 -7.152 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.022 -5.597 -7.885 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -0.742 -4.247 -7.712 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.212 -6.329 -8.746 1.00 0.00 C ATOM 1217 CE1 TYR A 88 0.312 -3.646 -8.377 1.00 0.00 C ATOM 1218 CE2 TYR A 88 0.843 -5.735 -9.414 1.00 0.00 C ATOM 1219 CZ TYR A 88 1.099 -4.395 -9.228 1.00 0.00 C ATOM 1220 OH TYR A 88 2.157 -3.799 -9.886 1.00 0.00 O ATOM 0 H TYR A 88 -4.895 -5.651 -5.651 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.389 -4.514 -6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.902 -6.362 -6.100 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.293 -7.275 -7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.357 -3.658 -7.048 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.410 -7.380 -8.896 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.518 -2.596 -8.231 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.463 -6.319 -10.078 1.00 0.00 H new ATOM 0 HH TYR A 88 2.892 -3.649 -9.255 1.00 0.00 H new ATOM 1230 N SER A 89 -5.350 -5.402 -8.859 1.00 0.00 N ATOM 1231 CA SER A 89 -5.995 -5.335 -10.172 1.00 0.00 C ATOM 1232 C SER A 89 -5.699 -6.583 -11.008 1.00 0.00 C ATOM 1233 O SER A 89 -5.406 -6.496 -12.200 1.00 0.00 O ATOM 1234 CB SER A 89 -5.564 -4.068 -10.915 1.00 0.00 C ATOM 1235 OG SER A 89 -5.939 -2.906 -10.189 1.00 0.00 O ATOM 0 H SER A 89 -6.005 -5.403 -8.077 1.00 0.00 H new ATOM 0 HA SER A 89 -7.073 -5.296 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.484 -4.077 -11.063 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.021 -4.048 -11.904 1.00 0.00 H new ATOM 0 HG SER A 89 -5.135 -2.442 -9.876 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.803 -7.743 -10.376 1.00 0.00 N ATOM 1242 CA GLY A 90 -5.600 -8.995 -11.070 1.00 0.00 C ATOM 1243 C GLY A 90 -6.758 -9.945 -10.851 1.00 0.00 C ATOM 1244 O GLY A 90 -7.404 -10.392 -11.799 1.00 0.00 O ATOM 0 H GLY A 90 -6.027 -7.838 -9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.480 -8.806 -12.137 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.677 -9.459 -10.723 1.00 0.00 H new ATOM 1248 N GLY A 91 -7.015 -10.245 -9.590 1.00 0.00 N ATOM 1249 CA GLY A 91 -8.157 -11.051 -9.224 1.00 0.00 C ATOM 1250 C GLY A 91 -8.772 -10.550 -7.934 1.00 0.00 C ATOM 1251 O GLY A 91 -8.133 -10.624 -6.889 1.00 0.00 O ATOM 0 H GLY A 91 -6.443 -9.939 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.899 -11.023 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.853 -12.091 -9.108 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.994 -9.995 -7.987 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.662 -9.406 -6.819 1.00 0.00 C ATOM 1257 C PRO A 92 -10.514 -10.235 -5.544 1.00 0.00 C ATOM 1258 O PRO A 92 -10.944 -11.390 -5.478 1.00 0.00 O ATOM 1259 CB PRO A 92 -12.119 -9.336 -7.264 1.00 0.00 C ATOM 1260 CG PRO A 92 -12.034 -9.111 -8.733 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.826 -9.882 -9.200 1.00 0.00 C ATOM 0 HA PRO A 92 -10.229 -8.443 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.653 -10.257 -7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.650 -8.525 -6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.937 -9.459 -9.234 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.932 -8.050 -8.960 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.102 -10.862 -9.589 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.301 -9.358 -9.999 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.862 -9.621 -4.555 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.667 -10.185 -3.216 1.00 0.00 C ATOM 1271 C PHE A 93 -8.556 -11.227 -3.148 1.00 0.00 C ATOM 1272 O PHE A 93 -8.379 -11.855 -2.105 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.945 -10.779 -2.629 1.00 0.00 C ATOM 1274 CG PHE A 93 -12.011 -9.766 -2.312 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.901 -9.347 -3.289 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.130 -9.243 -1.034 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.884 -8.421 -2.999 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.112 -8.316 -0.739 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.992 -7.906 -1.721 1.00 0.00 C ATOM 0 H PHE A 93 -9.445 -8.697 -4.664 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.366 -9.328 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.350 -11.507 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.694 -11.322 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.825 -9.749 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.448 -9.563 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.568 -8.100 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.191 -7.912 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.762 -7.185 -1.491 1.00 0.00 H new ATOM 1289 N SER A 94 -7.795 -11.418 -4.222 1.00 0.00 N ATOM 1290 CA SER A 94 -6.605 -12.256 -4.118 1.00 0.00 C ATOM 1291 C SER A 94 -5.551 -11.511 -3.331 1.00 0.00 C ATOM 1292 O SER A 94 -4.785 -10.726 -3.891 1.00 0.00 O ATOM 1293 CB SER A 94 -6.034 -12.668 -5.484 1.00 0.00 C ATOM 1294 OG SER A 94 -5.830 -11.549 -6.329 1.00 0.00 O ATOM 0 H SER A 94 -7.972 -11.019 -5.144 1.00 0.00 H new ATOM 0 HA SER A 94 -6.897 -13.176 -3.612 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.089 -13.191 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.716 -13.368 -5.967 1.00 0.00 H new ATOM 0 HG SER A 94 -6.645 -11.376 -6.845 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.557 -11.691 -2.023 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.557 -11.065 -1.190 1.00 0.00 C ATOM 1302 C VAL A 95 -3.174 -11.608 -1.572 1.00 0.00 C ATOM 1303 O VAL A 95 -2.765 -12.694 -1.154 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.850 -11.250 0.318 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -5.112 -12.704 0.662 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.718 -10.687 1.163 1.00 0.00 C ATOM 0 H VAL A 95 -6.238 -12.261 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.580 -9.990 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.757 -10.691 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.314 -12.795 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.973 -13.062 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.237 -13.302 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.947 -10.829 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.790 -11.205 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.604 -9.623 0.956 1.00 0.00 H new ATOM 1316 N SER A 96 -2.486 -10.852 -2.410 1.00 0.00 N ATOM 1317 CA SER A 96 -1.276 -11.316 -3.055 1.00 0.00 C ATOM 1318 C SER A 96 -0.082 -11.213 -2.125 1.00 0.00 C ATOM 1319 O SER A 96 0.050 -10.257 -1.357 1.00 0.00 O ATOM 1320 CB SER A 96 -1.036 -10.507 -4.330 1.00 0.00 C ATOM 1321 OG SER A 96 -2.194 -10.515 -5.150 1.00 0.00 O ATOM 0 H SER A 96 -2.753 -9.900 -2.661 1.00 0.00 H new ATOM 0 HA SER A 96 -1.400 -12.368 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.773 -9.481 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.192 -10.924 -4.879 1.00 0.00 H new ATOM 0 HG SER A 96 -2.992 -10.609 -4.589 1.00 0.00 H new ATOM 1327 N SER A 97 0.771 -12.216 -2.189 1.00 0.00 N ATOM 1328 CA SER A 97 1.947 -12.273 -1.337 1.00 0.00 C ATOM 1329 C SER A 97 3.224 -11.971 -2.122 1.00 0.00 C ATOM 1330 O SER A 97 3.521 -12.617 -3.129 1.00 0.00 O ATOM 1331 CB SER A 97 2.035 -13.650 -0.678 1.00 0.00 C ATOM 1332 OG SER A 97 1.933 -14.685 -1.641 1.00 0.00 O ATOM 0 H SER A 97 0.673 -13.007 -2.825 1.00 0.00 H new ATOM 0 HA SER A 97 1.851 -11.508 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.980 -13.740 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.239 -13.755 0.059 1.00 0.00 H new ATOM 0 HG SER A 97 2.294 -14.372 -2.497 1.00 0.00 H new ATOM 1338 N ARG A 98 3.971 -10.978 -1.659 1.00 0.00 N ATOM 1339 CA ARG A 98 5.263 -10.641 -2.243 1.00 0.00 C ATOM 1340 C ARG A 98 6.303 -10.469 -1.148 1.00 0.00 C ATOM 1341 O ARG A 98 6.059 -9.800 -0.144 1.00 0.00 O ATOM 1342 CB ARG A 98 5.177 -9.358 -3.074 1.00 0.00 C ATOM 1343 CG ARG A 98 4.906 -9.581 -4.553 1.00 0.00 C ATOM 1344 CD ARG A 98 6.066 -10.287 -5.234 1.00 0.00 C ATOM 1345 NE ARG A 98 6.090 -10.045 -6.679 1.00 0.00 N ATOM 1346 CZ ARG A 98 6.129 -11.005 -7.605 1.00 0.00 C ATOM 1347 NH1 ARG A 98 6.080 -12.287 -7.259 1.00 0.00 N ATOM 1348 NH2 ARG A 98 6.217 -10.677 -8.887 1.00 0.00 N ATOM 0 H ARG A 98 3.701 -10.386 -0.873 1.00 0.00 H new ATOM 0 HA ARG A 98 5.557 -11.459 -2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.388 -8.727 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.112 -8.808 -2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.999 -10.173 -4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.727 -8.622 -5.039 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.004 -9.947 -4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.997 -11.359 -5.048 1.00 0.00 H new ATOM 0 HE ARG A 98 6.076 -9.077 -6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.012 -12.547 -6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.111 -13.011 -7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.255 -9.695 -9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.247 -11.407 -9.599 1.00 0.00 H new ATOM 1362 N THR A 99 7.450 -11.090 -1.336 1.00 0.00 N ATOM 1363 CA THR A 99 8.549 -10.953 -0.402 1.00 0.00 C ATOM 1364 C THR A 99 9.543 -9.921 -0.922 1.00 0.00 C ATOM 1365 O THR A 99 10.388 -10.226 -1.770 1.00 0.00 O ATOM 1366 CB THR A 99 9.262 -12.301 -0.169 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.300 -13.298 0.205 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.316 -12.180 0.924 1.00 0.00 C ATOM 0 H THR A 99 7.646 -11.698 -2.132 1.00 0.00 H new ATOM 0 HA THR A 99 8.142 -10.620 0.553 1.00 0.00 H new ATOM 0 HB THR A 99 9.756 -12.591 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.755 -14.154 0.351 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.803 -13.144 1.068 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.059 -11.438 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.841 -11.871 1.855 1.00 0.00 H new ATOM 1376 N ILE A 100 9.416 -8.694 -0.436 1.00 0.00 N ATOM 1377 CA ILE A 100 10.257 -7.600 -0.898 1.00 0.00 C ATOM 1378 C ILE A 100 11.658 -7.722 -0.322 1.00 0.00 C ATOM 1379 O ILE A 100 11.854 -7.543 0.875 1.00 0.00 O ATOM 1380 CB ILE A 100 9.681 -6.220 -0.497 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.233 -6.064 -0.970 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.544 -5.098 -1.060 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.051 -6.249 -2.462 1.00 0.00 C ATOM 0 H ILE A 100 8.738 -8.432 0.279 1.00 0.00 H new ATOM 0 HA ILE A 100 10.289 -7.667 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 100 9.689 -6.159 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.610 -6.788 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.875 -5.073 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.125 -4.135 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.557 -5.186 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.569 -5.169 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.999 -6.123 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.646 -5.508 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.377 -7.249 -2.747 1.00 0.00 H new ATOM 1395 N SER A 101 12.627 -8.038 -1.158 1.00 0.00 N ATOM 1396 CA SER A 101 14.008 -8.040 -0.717 1.00 0.00 C ATOM 1397 C SER A 101 14.513 -6.604 -0.668 1.00 0.00 C ATOM 1398 O SER A 101 13.915 -5.719 -1.281 1.00 0.00 O ATOM 1399 CB SER A 101 14.869 -8.889 -1.655 1.00 0.00 C ATOM 1400 OG SER A 101 16.237 -8.854 -1.281 1.00 0.00 O ATOM 0 H SER A 101 12.487 -8.294 -2.135 1.00 0.00 H new ATOM 0 HA SER A 101 14.074 -8.478 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.514 -9.919 -1.643 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.761 -8.526 -2.677 1.00 0.00 H new ATOM 0 HG SER A 101 16.759 -9.407 -1.899 1.00 0.00 H new ATOM 1406 N ALA A 102 15.596 -6.368 0.067 1.00 0.00 N ATOM 1407 CA ALA A 102 16.185 -5.036 0.168 1.00 0.00 C ATOM 1408 C ALA A 102 16.466 -4.440 -1.215 1.00 0.00 C ATOM 1409 O ALA A 102 16.381 -3.222 -1.407 1.00 0.00 O ATOM 1410 CB ALA A 102 17.460 -5.088 0.997 1.00 0.00 C ATOM 0 H ALA A 102 16.085 -7.085 0.603 1.00 0.00 H new ATOM 0 HA ALA A 102 15.465 -4.386 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.890 -4.089 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.229 -5.453 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.175 -5.760 0.522 1.00 0.00 H new ATOM 1416 N SER A 103 16.766 -5.312 -2.175 1.00 0.00 N ATOM 1417 CA SER A 103 17.013 -4.898 -3.548 1.00 0.00 C ATOM 1418 C SER A 103 15.800 -4.162 -4.113 1.00 0.00 C ATOM 1419 O SER A 103 15.940 -3.135 -4.778 1.00 0.00 O ATOM 1420 CB SER A 103 17.330 -6.125 -4.406 1.00 0.00 C ATOM 1421 OG SER A 103 18.315 -6.939 -3.786 1.00 0.00 O ATOM 0 H SER A 103 16.844 -6.317 -2.022 1.00 0.00 H new ATOM 0 HA SER A 103 17.865 -4.218 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.422 -6.706 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.682 -5.806 -5.387 1.00 0.00 H new ATOM 0 HG SER A 103 18.500 -7.717 -4.352 1.00 0.00 H new ATOM 1427 N GLU A 104 14.610 -4.686 -3.837 1.00 0.00 N ATOM 1428 CA GLU A 104 13.381 -4.057 -4.295 1.00 0.00 C ATOM 1429 C GLU A 104 12.921 -3.005 -3.294 1.00 0.00 C ATOM 1430 O GLU A 104 12.247 -2.047 -3.657 1.00 0.00 O ATOM 1431 CB GLU A 104 12.263 -5.084 -4.498 1.00 0.00 C ATOM 1432 CG GLU A 104 12.608 -6.223 -5.444 1.00 0.00 C ATOM 1433 CD GLU A 104 13.209 -7.419 -4.736 1.00 0.00 C ATOM 1434 OE1 GLU A 104 12.444 -8.207 -4.136 1.00 0.00 O ATOM 1435 OE2 GLU A 104 14.444 -7.589 -4.784 1.00 0.00 O ATOM 0 H GLU A 104 14.473 -5.542 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 104 13.595 -3.586 -5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.994 -5.504 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.381 -4.569 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.707 -6.535 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.309 -5.863 -6.197 1.00 0.00 H new ATOM 1442 N ALA A 105 13.289 -3.189 -2.033 1.00 0.00 N ATOM 1443 CA ALA A 105 12.897 -2.265 -0.973 1.00 0.00 C ATOM 1444 C ALA A 105 13.377 -0.850 -1.265 1.00 0.00 C ATOM 1445 O ALA A 105 12.673 0.122 -0.997 1.00 0.00 O ATOM 1446 CB ALA A 105 13.433 -2.740 0.367 1.00 0.00 C ATOM 0 H ALA A 105 13.861 -3.972 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 105 11.808 -2.246 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.133 -2.041 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 105 13.031 -3.728 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.521 -2.792 0.326 1.00 0.00 H new ATOM 1452 N GLY A 106 14.576 -0.745 -1.825 1.00 0.00 N ATOM 1453 CA GLY A 106 15.107 0.551 -2.204 1.00 0.00 C ATOM 1454 C GLY A 106 14.440 1.118 -3.448 1.00 0.00 C ATOM 1455 O GLY A 106 14.660 2.273 -3.808 1.00 0.00 O ATOM 0 H GLY A 106 15.191 -1.534 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.976 1.249 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.179 0.462 -2.380 1.00 0.00 H new ATOM 1459 N ASN A 107 13.628 0.300 -4.104 1.00 0.00 N ATOM 1460 CA ASN A 107 12.933 0.705 -5.324 1.00 0.00 C ATOM 1461 C ASN A 107 11.594 1.351 -4.997 1.00 0.00 C ATOM 1462 O ASN A 107 11.171 2.303 -5.653 1.00 0.00 O ATOM 1463 CB ASN A 107 12.714 -0.514 -6.230 1.00 0.00 C ATOM 1464 CG ASN A 107 11.814 -0.228 -7.422 1.00 0.00 C ATOM 1465 OD1 ASN A 107 12.282 0.216 -8.470 1.00 0.00 O ATOM 1466 ND2 ASN A 107 10.522 -0.514 -7.288 1.00 0.00 N ATOM 0 H ASN A 107 13.432 -0.657 -3.810 1.00 0.00 H new ATOM 0 HA ASN A 107 13.551 1.437 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.680 -0.868 -6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.279 -1.321 -5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 107 9.883 -0.367 -8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.170 -0.881 -6.404 1.00 0.00 H new ATOM 1473 N TYR A 108 10.934 0.831 -3.977 1.00 0.00 N ATOM 1474 CA TYR A 108 9.595 1.282 -3.638 1.00 0.00 C ATOM 1475 C TYR A 108 9.625 2.452 -2.666 1.00 0.00 C ATOM 1476 O TYR A 108 10.431 2.484 -1.738 1.00 0.00 O ATOM 1477 CB TYR A 108 8.791 0.148 -3.011 1.00 0.00 C ATOM 1478 CG TYR A 108 8.555 -1.044 -3.912 1.00 0.00 C ATOM 1479 CD1 TYR A 108 7.534 -1.038 -4.850 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.334 -2.187 -3.803 1.00 0.00 C ATOM 1481 CE1 TYR A 108 7.301 -2.134 -5.660 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.107 -3.287 -4.606 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.089 -3.256 -5.532 1.00 0.00 C ATOM 1484 OH TYR A 108 7.857 -4.354 -6.330 1.00 0.00 O ATOM 0 H TYR A 108 11.302 0.098 -3.370 1.00 0.00 H new ATOM 0 HA TYR A 108 9.124 1.606 -4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.309 -0.191 -2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 108 7.825 0.541 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.910 -0.162 -4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.133 -2.217 -3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 108 6.505 -2.110 -6.389 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.725 -4.167 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 108 8.502 -5.059 -6.113 1.00 0.00 H new ATOM 1494 N ASN A 109 8.726 3.397 -2.887 1.00 0.00 N ATOM 1495 CA ASN A 109 8.528 4.511 -1.973 1.00 0.00 C ATOM 1496 C ASN A 109 7.570 4.071 -0.876 1.00 0.00 C ATOM 1497 O ASN A 109 7.015 2.976 -0.947 1.00 0.00 O ATOM 1498 CB ASN A 109 7.929 5.713 -2.713 1.00 0.00 C ATOM 1499 CG ASN A 109 8.817 6.244 -3.821 1.00 0.00 C ATOM 1500 OD1 ASN A 109 10.043 6.211 -3.731 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.195 6.727 -4.885 1.00 0.00 N ATOM 0 H ASN A 109 8.114 3.414 -3.703 1.00 0.00 H new ATOM 0 HA ASN A 109 9.488 4.806 -1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.966 5.426 -3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.738 6.512 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.735 7.090 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.176 6.736 -4.920 1.00 0.00 H new ATOM 1508 N TYR A 110 7.385 4.896 0.140 1.00 0.00 N ATOM 1509 CA TYR A 110 6.378 4.618 1.152 1.00 0.00 C ATOM 1510 C TYR A 110 5.919 5.911 1.813 1.00 0.00 C ATOM 1511 O TYR A 110 6.738 6.759 2.178 1.00 0.00 O ATOM 1512 CB TYR A 110 6.906 3.620 2.197 1.00 0.00 C ATOM 1513 CG TYR A 110 7.818 4.212 3.244 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.975 4.885 2.892 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.508 4.103 4.590 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.794 5.433 3.854 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.322 4.651 5.558 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.467 5.314 5.183 1.00 0.00 C ATOM 1519 OH TYR A 110 10.282 5.876 6.139 1.00 0.00 O ATOM 0 H TYR A 110 7.913 5.756 0.287 1.00 0.00 H new ATOM 0 HA TYR A 110 5.518 4.160 0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.055 3.158 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.441 2.824 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.239 4.982 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.612 3.579 4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.693 5.956 3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.063 4.560 6.602 1.00 0.00 H new ATOM 0 HH TYR A 110 9.907 6.735 6.425 1.00 0.00 H new ATOM 1529 N ILE A 111 4.617 6.077 1.962 1.00 0.00 N ATOM 1530 CA ILE A 111 4.094 7.266 2.590 1.00 0.00 C ATOM 1531 C ILE A 111 3.742 6.953 4.035 1.00 0.00 C ATOM 1532 O ILE A 111 3.050 5.978 4.327 1.00 0.00 O ATOM 1533 CB ILE A 111 2.867 7.833 1.834 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.675 6.881 1.925 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.230 8.074 0.375 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.393 7.423 1.320 1.00 0.00 C ATOM 0 H ILE A 111 3.911 5.406 1.658 1.00 0.00 H new ATOM 0 HA ILE A 111 4.863 8.038 2.558 1.00 0.00 H new ATOM 0 HB ILE A 111 2.582 8.776 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.932 5.947 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.495 6.642 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.365 8.473 -0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 111 4.051 8.788 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.534 7.134 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.401 6.684 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.107 8.340 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.551 7.635 0.262 1.00 0.00 H new ATOM 1548 N HIS A 112 4.267 7.744 4.942 1.00 0.00 N ATOM 1549 CA HIS A 112 4.008 7.531 6.352 1.00 0.00 C ATOM 1550 C HIS A 112 3.599 8.840 7.001 1.00 0.00 C ATOM 1551 O HIS A 112 3.965 9.909 6.526 1.00 0.00 O ATOM 1552 CB HIS A 112 5.223 6.901 7.057 1.00 0.00 C ATOM 1553 CG HIS A 112 6.475 7.730 7.040 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.816 8.581 8.068 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.480 7.824 6.125 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.965 9.166 7.793 1.00 0.00 C ATOM 1557 NE2 HIS A 112 8.389 8.726 6.624 1.00 0.00 N ATOM 0 H HIS A 112 4.873 8.537 4.733 1.00 0.00 H new ATOM 0 HA HIS A 112 3.185 6.823 6.455 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.956 6.698 8.094 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.436 5.940 6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.549 7.292 5.188 1.00 0.00 H new ATOM 0 HE1 HIS A 112 8.473 9.884 8.419 1.00 0.00 H new ATOM 0 HE2 HIS A 112 9.254 9.010 6.164 1.00 0.00 H new ATOM 1566 N ILE A 113 2.831 8.749 8.068 1.00 0.00 N ATOM 1567 CA ILE A 113 2.263 9.925 8.707 1.00 0.00 C ATOM 1568 C ILE A 113 3.353 10.706 9.440 1.00 0.00 C ATOM 1569 O ILE A 113 3.620 10.390 10.619 1.00 0.00 O ATOM 1570 CB ILE A 113 1.134 9.546 9.703 1.00 0.00 C ATOM 1571 CG1 ILE A 113 0.210 8.470 9.123 1.00 0.00 C ATOM 1572 CG2 ILE A 113 0.311 10.770 10.072 1.00 0.00 C ATOM 1573 CD1 ILE A 113 0.712 7.049 9.301 1.00 0.00 C ATOM 1574 OXT ILE A 113 3.960 11.609 8.827 1.00 0.00 O ATOM 0 H ILE A 113 2.583 7.867 8.516 1.00 0.00 H new ATOM 0 HA ILE A 113 1.830 10.548 7.924 1.00 0.00 H new ATOM 0 HB ILE A 113 1.614 9.147 10.597 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.769 8.558 9.593 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.071 8.663 8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.475 10.483 10.771 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.956 11.515 10.537 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.139 11.190 9.173 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.003 6.353 8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.677 6.939 8.806 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.823 6.833 10.364 1.00 0.00 H new TER 1586 ILE A 113