USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 19 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.4!) USER MOD Single : A 20 SER OG : rot 124:sc= 2.03 USER MOD Single : A 22 GLN : amide:sc= 0.0486 K(o=0.049,f=-4.4!) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0.212 (180deg=0.103) USER MOD Single : A 25 SER OG : rot -111:sc= 1.35 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 29 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.0014) USER MOD Single : A 30 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.15) USER MOD Single : A 32 THR OG1 : rot -14:sc= 1.2 USER MOD Single : A 35 SER OG : rot 42:sc= 0.659 USER MOD Single : A 37 SER OG : rot 160:sc= -0.993 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 34:sc= 0.0509 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 89 ASN : amide:sc= -0.084 K(o=-0.084,f=-1) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -10.175 -9.866 5.871 1.00 0.00 N ATOM 70 CA ASN A 10 -10.379 -10.335 4.461 1.00 0.00 C ATOM 71 C ASN A 10 -11.245 -9.423 3.508 1.00 0.00 C ATOM 72 O ASN A 10 -12.311 -9.811 3.019 1.00 0.00 O ATOM 73 CB ASN A 10 -10.886 -11.812 4.517 1.00 0.00 C ATOM 74 CG ASN A 10 -9.917 -12.845 5.094 1.00 0.00 C ATOM 75 OD1 ASN A 10 -8.973 -13.288 4.453 1.00 0.00 O ATOM 76 ND2 ASN A 10 -10.104 -13.249 6.322 1.00 0.00 N ATOM 0 HA ASN A 10 -9.408 -10.263 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.802 -11.836 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.151 -12.120 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.466 -13.928 6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.888 -12.886 6.865 1.00 0.00 H new ATOM 77 N LEU A 11 -10.715 -8.242 3.147 1.00 0.00 N ATOM 78 CA LEU A 11 -11.326 -7.315 2.172 1.00 0.00 C ATOM 79 C LEU A 11 -10.454 -7.290 0.854 1.00 0.00 C ATOM 80 O LEU A 11 -9.222 -7.218 0.879 1.00 0.00 O ATOM 81 CB LEU A 11 -11.481 -5.998 2.991 1.00 0.00 C ATOM 82 CG LEU A 11 -12.076 -4.809 2.232 1.00 0.00 C ATOM 83 CD1 LEU A 11 -13.584 -4.986 1.991 1.00 0.00 C ATOM 84 CD2 LEU A 11 -11.836 -3.491 2.985 1.00 0.00 C ATOM 0 H LEU A 11 -9.835 -7.896 3.530 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.306 -7.579 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.109 -6.203 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.500 -5.710 3.369 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.569 -4.769 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.970 -4.122 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.755 -5.888 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.098 -5.073 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.270 -2.665 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.303 -3.544 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.764 -3.328 3.100 1.00 0.00 H new ATOM 85 N ASP A 12 -11.086 -7.382 -0.324 1.00 0.00 N ATOM 86 CA ASP A 12 -10.370 -7.502 -1.632 1.00 0.00 C ATOM 87 C ASP A 12 -9.755 -6.170 -2.186 1.00 0.00 C ATOM 88 O ASP A 12 -10.189 -5.072 -1.824 1.00 0.00 O ATOM 89 CB ASP A 12 -11.392 -8.043 -2.672 1.00 0.00 C ATOM 90 CG ASP A 12 -12.052 -9.385 -2.376 1.00 0.00 C ATOM 91 OD1 ASP A 12 -11.495 -10.460 -2.558 1.00 0.00 O ATOM 92 OD2 ASP A 12 -13.310 -9.239 -1.867 1.00 0.00 O ATOM 0 H ASP A 12 -12.102 -7.377 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.522 -8.166 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.180 -7.299 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.884 -8.122 -3.633 1.00 0.00 H new ATOM 93 N GLU A 13 -8.778 -6.270 -3.119 1.00 0.00 N ATOM 94 CA GLU A 13 -8.215 -5.076 -3.827 1.00 0.00 C ATOM 95 C GLU A 13 -9.333 -4.398 -4.704 1.00 0.00 C ATOM 96 O GLU A 13 -10.033 -5.042 -5.491 1.00 0.00 O ATOM 97 CB GLU A 13 -6.904 -5.480 -4.577 1.00 0.00 C ATOM 98 CG GLU A 13 -6.431 -4.618 -5.784 1.00 0.00 C ATOM 99 CD GLU A 13 -7.034 -4.983 -7.139 1.00 0.00 C ATOM 100 OE1 GLU A 13 -6.807 -6.035 -7.726 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.836 -4.003 -7.634 1.00 0.00 O ATOM 0 H GLU A 13 -8.360 -7.156 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.908 -4.300 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.096 -5.493 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.029 -6.503 -4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.663 -3.574 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.346 -4.695 -5.858 1.00 0.00 H new ATOM 102 N GLY A 14 -9.489 -3.085 -4.512 1.00 0.00 N ATOM 103 CA GLY A 14 -10.595 -2.297 -5.135 1.00 0.00 C ATOM 104 C GLY A 14 -11.852 -2.049 -4.251 1.00 0.00 C ATOM 105 O GLY A 14 -12.931 -1.783 -4.782 1.00 0.00 O ATOM 0 H GLY A 14 -8.866 -2.528 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.196 -1.330 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.912 -2.811 -6.042 1.00 0.00 H new ATOM 106 N GLU A 15 -11.714 -2.083 -2.916 1.00 0.00 N ATOM 107 CA GLU A 15 -12.811 -1.816 -1.948 1.00 0.00 C ATOM 108 C GLU A 15 -12.333 -0.755 -0.898 1.00 0.00 C ATOM 109 O GLU A 15 -11.192 -0.793 -0.421 1.00 0.00 O ATOM 110 CB GLU A 15 -13.226 -3.148 -1.257 1.00 0.00 C ATOM 111 CG GLU A 15 -13.840 -4.239 -2.180 1.00 0.00 C ATOM 112 CD GLU A 15 -14.452 -5.433 -1.449 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.673 -5.133 -0.925 1.00 0.00 O ATOM 114 OE2 GLU A 15 -13.912 -6.532 -1.346 1.00 0.00 O ATOM 0 H GLU A 15 -10.826 -2.299 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.681 -1.414 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.347 -3.568 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.947 -2.917 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.609 -3.778 -2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.064 -4.603 -2.853 1.00 0.00 H new ATOM 115 N LEU A 16 -13.208 0.198 -0.524 1.00 0.00 N ATOM 116 CA LEU A 16 -12.861 1.291 0.437 1.00 0.00 C ATOM 117 C LEU A 16 -12.564 0.755 1.887 1.00 0.00 C ATOM 118 O LEU A 16 -13.341 -0.009 2.467 1.00 0.00 O ATOM 119 CB LEU A 16 -14.004 2.351 0.425 1.00 0.00 C ATOM 120 CG LEU A 16 -13.924 3.455 -0.667 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.174 2.942 -2.095 1.00 0.00 C ATOM 122 CD2 LEU A 16 -14.941 4.569 -0.366 1.00 0.00 C ATOM 0 H LEU A 16 -14.167 0.243 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.932 1.759 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.953 1.827 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.026 2.838 1.400 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.901 3.828 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.101 3.772 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.429 2.187 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.170 2.503 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.877 5.338 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.947 4.150 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.720 5.010 0.606 1.00 0.00 H new ATOM 123 N CYS A 17 -11.415 1.164 2.444 1.00 0.00 N ATOM 124 CA CYS A 17 -10.904 0.671 3.751 1.00 0.00 C ATOM 125 C CYS A 17 -10.506 1.811 4.742 1.00 0.00 C ATOM 126 O CYS A 17 -10.130 2.919 4.345 1.00 0.00 O ATOM 127 CB CYS A 17 -9.677 -0.207 3.405 1.00 0.00 C ATOM 128 SG CYS A 17 -8.511 0.672 2.334 1.00 0.00 S ATOM 0 H CYS A 17 -10.803 1.851 2.004 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.688 0.121 4.272 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.173 -0.508 4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.009 -1.120 2.911 1.00 0.00 H new ATOM 129 N LEU A 18 -10.558 1.511 6.053 1.00 0.00 N ATOM 130 CA LEU A 18 -10.083 2.448 7.110 1.00 0.00 C ATOM 131 C LEU A 18 -8.540 2.242 7.295 1.00 0.00 C ATOM 132 O LEU A 18 -7.776 3.120 6.912 1.00 0.00 O ATOM 133 CB LEU A 18 -10.919 2.263 8.416 1.00 0.00 C ATOM 134 CG LEU A 18 -12.429 2.610 8.366 1.00 0.00 C ATOM 135 CD1 LEU A 18 -13.126 2.101 9.639 1.00 0.00 C ATOM 136 CD2 LEU A 18 -12.670 4.121 8.227 1.00 0.00 C ATOM 0 H LEU A 18 -10.923 0.630 6.414 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.237 3.487 6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.825 1.223 8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.461 2.873 9.195 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.845 2.120 7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.187 2.348 9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.008 1.020 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.678 2.574 10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.742 4.317 8.196 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.231 4.639 9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.209 4.480 7.307 1.00 0.00 H new ATOM 137 N ASN A 19 -8.081 1.178 7.975 1.00 0.00 N ATOM 138 CA ASN A 19 -6.633 0.810 8.077 1.00 0.00 C ATOM 139 C ASN A 19 -6.185 -0.297 7.047 1.00 0.00 C ATOM 140 O ASN A 19 -7.010 -0.935 6.384 1.00 0.00 O ATOM 141 CB ASN A 19 -6.359 0.477 9.575 1.00 0.00 C ATOM 142 CG ASN A 19 -7.086 -0.738 10.161 1.00 0.00 C ATOM 143 OD1 ASN A 19 -6.723 -1.879 9.920 1.00 0.00 O ATOM 144 ND2 ASN A 19 -8.137 -0.536 10.912 1.00 0.00 N ATOM 0 H ASN A 19 -8.696 0.537 8.477 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.000 1.646 7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.287 0.322 9.697 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.625 1.351 10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.651 -1.330 11.294 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.443 0.415 11.115 1.00 0.00 H new ATOM 145 N SER A 20 -4.870 -0.588 6.965 1.00 0.00 N ATOM 146 CA SER A 20 -4.338 -1.699 6.101 1.00 0.00 C ATOM 147 C SER A 20 -4.490 -3.154 6.646 1.00 0.00 C ATOM 148 O SER A 20 -4.494 -4.098 5.851 1.00 0.00 O ATOM 149 CB SER A 20 -2.851 -1.435 5.807 1.00 0.00 C ATOM 150 OG SER A 20 -2.673 -0.261 5.018 1.00 0.00 O ATOM 0 H SER A 20 -4.149 -0.081 7.478 1.00 0.00 H new ATOM 0 HA SER A 20 -4.965 -1.672 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.307 -1.329 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.425 -2.292 5.286 1.00 0.00 H new ATOM 0 HG SER A 20 -2.066 0.354 5.479 1.00 0.00 H new ATOM 151 N ALA A 21 -4.676 -3.346 7.962 1.00 0.00 N ATOM 152 CA ALA A 21 -4.939 -4.691 8.547 1.00 0.00 C ATOM 153 C ALA A 21 -6.381 -5.294 8.352 1.00 0.00 C ATOM 154 O ALA A 21 -6.702 -6.334 8.923 1.00 0.00 O ATOM 155 CB ALA A 21 -4.580 -4.500 10.029 1.00 0.00 C ATOM 0 H ALA A 21 -4.651 -2.593 8.649 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.349 -5.443 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.737 -5.436 10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.535 -4.203 10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.214 -3.725 10.460 1.00 0.00 H new ATOM 156 N GLN A 22 -7.207 -4.679 7.500 1.00 0.00 N ATOM 157 CA GLN A 22 -8.551 -5.178 7.098 1.00 0.00 C ATOM 158 C GLN A 22 -8.567 -5.964 5.732 1.00 0.00 C ATOM 159 O GLN A 22 -9.441 -6.810 5.534 1.00 0.00 O ATOM 160 CB GLN A 22 -9.478 -3.937 6.997 1.00 0.00 C ATOM 161 CG GLN A 22 -9.873 -3.277 8.343 1.00 0.00 C ATOM 162 CD GLN A 22 -10.726 -2.025 8.159 1.00 0.00 C ATOM 163 OE1 GLN A 22 -10.242 -0.962 7.792 1.00 0.00 O ATOM 164 NE2 GLN A 22 -12.012 -2.096 8.380 1.00 0.00 N ATOM 0 H GLN A 22 -6.964 -3.795 7.052 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.885 -5.897 7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.984 -3.188 6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.390 -4.230 6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.421 -3.998 8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.969 -3.018 8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.429 -2.975 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.599 -1.272 8.246 1.00 0.00 H new ATOM 165 N CYS A 23 -7.669 -5.665 4.776 1.00 0.00 N ATOM 166 CA CYS A 23 -7.610 -6.337 3.461 1.00 0.00 C ATOM 167 C CYS A 23 -6.878 -7.730 3.456 1.00 0.00 C ATOM 168 O CYS A 23 -6.057 -8.023 4.331 1.00 0.00 O ATOM 169 CB CYS A 23 -6.857 -5.356 2.531 1.00 0.00 C ATOM 170 SG CYS A 23 -7.283 -3.594 2.662 1.00 0.00 S ATOM 0 H CYS A 23 -6.957 -4.944 4.893 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.627 -6.564 3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.789 -5.461 2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.027 -5.669 1.501 1.00 0.00 H new ATOM 171 N LYS A 24 -7.143 -8.583 2.440 1.00 0.00 N ATOM 172 CA LYS A 24 -6.359 -9.848 2.218 1.00 0.00 C ATOM 173 C LYS A 24 -4.862 -9.471 1.891 1.00 0.00 C ATOM 174 O LYS A 24 -3.927 -9.892 2.576 1.00 0.00 O ATOM 175 CB LYS A 24 -6.982 -10.692 1.066 1.00 0.00 C ATOM 176 CG LYS A 24 -8.218 -11.579 1.333 1.00 0.00 C ATOM 177 CD LYS A 24 -9.527 -11.058 0.707 1.00 0.00 C ATOM 178 CE LYS A 24 -10.592 -12.165 0.623 1.00 0.00 C ATOM 179 NZ LYS A 24 -11.934 -11.586 0.425 1.00 0.00 N ATOM 0 H LYS A 24 -7.886 -8.431 1.758 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.390 -10.456 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.247 -10.001 0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.196 -11.341 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.020 -12.580 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.357 -11.672 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.910 -10.228 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.325 -10.670 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.357 -12.840 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.578 -12.759 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.655 -12.321 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.083 -10.813 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.012 -11.215 -0.543 1.00 0.00 H new ATOM 180 N SER A 25 -4.660 -8.661 0.833 1.00 0.00 N ATOM 181 CA SER A 25 -3.351 -8.045 0.518 1.00 0.00 C ATOM 182 C SER A 25 -3.276 -6.786 1.445 1.00 0.00 C ATOM 183 O SER A 25 -3.934 -5.780 1.166 1.00 0.00 O ATOM 184 CB SER A 25 -3.323 -7.723 -0.994 1.00 0.00 C ATOM 185 OG SER A 25 -2.179 -6.940 -1.338 1.00 0.00 O ATOM 0 H SER A 25 -5.397 -8.414 0.172 1.00 0.00 H new ATOM 0 HA SER A 25 -2.483 -8.678 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.316 -8.651 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.230 -7.186 -1.270 1.00 0.00 H new ATOM 0 HG SER A 25 -2.465 -6.038 -1.594 1.00 0.00 H new ATOM 186 N ASN A 26 -2.483 -6.859 2.531 1.00 0.00 N ATOM 187 CA ASN A 26 -2.427 -5.798 3.590 1.00 0.00 C ATOM 188 C ASN A 26 -1.783 -4.455 3.095 1.00 0.00 C ATOM 189 O ASN A 26 -0.603 -4.139 3.275 1.00 0.00 O ATOM 190 CB ASN A 26 -1.656 -6.449 4.779 1.00 0.00 C ATOM 191 CG ASN A 26 -1.567 -5.648 6.092 1.00 0.00 C ATOM 192 OD1 ASN A 26 -1.275 -4.458 6.152 1.00 0.00 O ATOM 193 ND2 ASN A 26 -1.743 -6.287 7.219 1.00 0.00 N ATOM 0 H ASN A 26 -1.860 -7.646 2.711 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.428 -5.487 3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.126 -7.407 5.001 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.640 -6.662 4.445 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.637 -5.795 8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.987 -7.277 7.211 1.00 0.00 H new ATOM 194 N CYS A 27 -2.653 -3.682 2.440 1.00 0.00 N ATOM 195 CA CYS A 27 -2.302 -2.395 1.819 1.00 0.00 C ATOM 196 C CYS A 27 -3.567 -1.521 1.567 1.00 0.00 C ATOM 197 O CYS A 27 -4.158 -1.556 0.482 1.00 0.00 O ATOM 198 CB CYS A 27 -1.542 -2.631 0.488 1.00 0.00 C ATOM 199 SG CYS A 27 -0.975 -1.029 -0.129 1.00 0.00 S ATOM 0 H CYS A 27 -3.635 -3.933 2.323 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.654 -1.856 2.510 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.695 -3.299 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.194 -3.111 -0.242 1.00 0.00 H new ATOM 200 N CYS A 28 -3.999 -0.720 2.558 1.00 0.00 N ATOM 201 CA CYS A 28 -5.065 0.298 2.350 1.00 0.00 C ATOM 202 C CYS A 28 -4.299 1.469 1.662 1.00 0.00 C ATOM 203 O CYS A 28 -3.398 2.086 2.241 1.00 0.00 O ATOM 204 CB CYS A 28 -5.739 0.661 3.680 1.00 0.00 C ATOM 205 SG CYS A 28 -7.175 1.705 3.403 1.00 0.00 S ATOM 0 H CYS A 28 -3.633 -0.751 3.510 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.902 -0.033 1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.040 -0.248 4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.027 1.177 4.325 1.00 0.00 H new ATOM 206 N GLN A 29 -4.597 1.689 0.384 1.00 0.00 N ATOM 207 CA GLN A 29 -3.825 2.614 -0.473 1.00 0.00 C ATOM 208 C GLN A 29 -4.370 4.072 -0.493 1.00 0.00 C ATOM 209 O GLN A 29 -5.458 4.364 -0.996 1.00 0.00 O ATOM 210 CB GLN A 29 -3.791 1.917 -1.869 1.00 0.00 C ATOM 211 CG GLN A 29 -2.373 1.750 -2.479 1.00 0.00 C ATOM 212 CD GLN A 29 -1.617 2.946 -3.031 1.00 0.00 C ATOM 213 OE1 GLN A 29 -0.394 2.979 -3.033 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.290 3.892 -3.618 1.00 0.00 N ATOM 0 H GLN A 29 -5.376 1.237 -0.095 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.819 2.774 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.251 0.933 -1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.404 2.493 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.744 1.301 -1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.456 1.023 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.310 3.868 -3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.798 4.658 -4.078 1.00 0.00 H new ATOM 215 N HIS A 30 -3.566 4.972 0.071 1.00 0.00 N ATOM 216 CA HIS A 30 -3.897 6.400 0.257 1.00 0.00 C ATOM 217 C HIS A 30 -3.674 7.254 -1.031 1.00 0.00 C ATOM 218 O HIS A 30 -2.653 7.134 -1.716 1.00 0.00 O ATOM 219 CB HIS A 30 -2.920 6.904 1.370 1.00 0.00 C ATOM 220 CG HIS A 30 -3.341 8.130 2.174 1.00 0.00 C ATOM 221 ND1 HIS A 30 -3.650 9.360 1.618 1.00 0.00 N ATOM 222 CD2 HIS A 30 -3.269 8.230 3.574 1.00 0.00 C ATOM 223 CE1 HIS A 30 -3.766 10.103 2.761 1.00 0.00 C ATOM 224 NE2 HIS A 30 -3.567 9.516 3.977 1.00 0.00 N ATOM 0 H HIS A 30 -2.640 4.730 0.423 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.952 6.504 0.512 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.755 6.084 2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.960 7.122 0.902 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -3.017 7.417 4.239 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.015 11.152 2.701 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -3.623 9.914 4.915 1.00 0.00 H new ATOM 225 N ASP A 31 -4.576 8.207 -1.284 1.00 0.00 N ATOM 226 CA ASP A 31 -4.410 9.210 -2.383 1.00 0.00 C ATOM 227 C ASP A 31 -3.273 10.311 -2.216 1.00 0.00 C ATOM 228 O ASP A 31 -3.285 11.323 -2.918 1.00 0.00 O ATOM 229 CB ASP A 31 -5.812 9.837 -2.591 1.00 0.00 C ATOM 230 CG ASP A 31 -6.401 10.787 -1.542 1.00 0.00 C ATOM 231 OD1 ASP A 31 -5.786 10.711 -0.324 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.360 11.512 -1.781 1.00 0.00 O ATOM 0 H ASP A 31 -5.438 8.319 -0.750 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.036 8.680 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.786 10.378 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.517 9.015 -2.713 1.00 0.00 H new ATOM 233 N THR A 32 -2.302 10.098 -1.310 1.00 0.00 N ATOM 234 CA THR A 32 -1.109 10.962 -1.041 1.00 0.00 C ATOM 235 C THR A 32 -1.480 12.263 -0.252 1.00 0.00 C ATOM 236 O THR A 32 -1.932 13.257 -0.820 1.00 0.00 O ATOM 237 CB THR A 32 -0.182 11.216 -2.278 1.00 0.00 C ATOM 238 OG1 THR A 32 -0.815 12.006 -3.276 1.00 0.00 O ATOM 239 CG2 THR A 32 0.282 9.914 -2.954 1.00 0.00 C ATOM 0 H THR A 32 -2.317 9.276 -0.706 1.00 0.00 H new ATOM 0 HA THR A 32 -0.479 10.369 -0.378 1.00 0.00 H new ATOM 0 HB THR A 32 0.678 11.745 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.778 12.047 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.921 10.153 -3.804 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.841 9.312 -2.238 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.587 9.354 -3.299 1.00 0.00 H new ATOM 240 N ILE A 33 -1.286 12.232 1.083 1.00 0.00 N ATOM 241 CA ILE A 33 -1.467 13.398 2.020 1.00 0.00 C ATOM 242 C ILE A 33 -2.968 13.774 2.336 1.00 0.00 C ATOM 243 O ILE A 33 -3.274 13.916 3.522 1.00 0.00 O ATOM 244 CB ILE A 33 -0.563 14.639 1.644 1.00 0.00 C ATOM 245 CG1 ILE A 33 0.953 14.318 1.438 1.00 0.00 C ATOM 246 CG2 ILE A 33 -0.667 15.792 2.679 1.00 0.00 C ATOM 247 CD1 ILE A 33 1.707 13.647 2.606 1.00 0.00 C ATOM 0 H ILE A 33 -0.992 11.383 1.566 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.092 13.036 2.977 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.975 14.947 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.044 13.672 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.464 15.251 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.026 16.617 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.699 16.137 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.349 15.432 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.747 13.484 2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.667 14.292 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.240 12.690 2.838 1.00 0.00 H new ATOM 248 N LEU A 34 -3.894 13.949 1.366 1.00 0.00 N ATOM 249 CA LEU A 34 -5.318 14.323 1.659 1.00 0.00 C ATOM 250 C LEU A 34 -6.180 13.106 2.183 1.00 0.00 C ATOM 251 O LEU A 34 -5.823 12.573 3.238 1.00 0.00 O ATOM 252 CB LEU A 34 -5.883 15.152 0.461 1.00 0.00 C ATOM 253 CG LEU A 34 -5.940 14.504 -0.953 1.00 0.00 C ATOM 254 CD1 LEU A 34 -7.273 14.797 -1.662 1.00 0.00 C ATOM 255 CD2 LEU A 34 -4.791 14.978 -1.859 1.00 0.00 C ATOM 0 H LEU A 34 -3.692 13.840 0.372 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.375 14.990 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.896 15.457 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.287 16.061 0.381 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.843 13.431 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.273 14.327 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.096 14.397 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.396 15.874 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.875 14.498 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.847 16.060 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.836 14.713 -1.405 1.00 0.00 H new ATOM 256 N SER A 35 -7.309 12.661 1.577 1.00 0.00 N ATOM 257 CA SER A 35 -8.080 11.498 2.128 1.00 0.00 C ATOM 258 C SER A 35 -9.051 10.752 1.146 1.00 0.00 C ATOM 259 O SER A 35 -10.189 11.164 0.899 1.00 0.00 O ATOM 260 CB SER A 35 -8.879 11.941 3.390 1.00 0.00 C ATOM 261 OG SER A 35 -9.953 12.832 3.068 1.00 0.00 O ATOM 0 H SER A 35 -7.704 13.070 0.730 1.00 0.00 H new ATOM 0 HA SER A 35 -7.306 10.766 2.357 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.279 11.060 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.203 12.429 4.092 1.00 0.00 H new ATOM 0 HG SER A 35 -10.403 12.522 2.254 1.00 0.00 H new ATOM 262 N LEU A 36 -8.594 9.593 0.662 1.00 0.00 N ATOM 263 CA LEU A 36 -9.380 8.637 -0.170 1.00 0.00 C ATOM 264 C LEU A 36 -8.526 7.329 -0.095 1.00 0.00 C ATOM 265 O LEU A 36 -7.433 7.261 -0.672 1.00 0.00 O ATOM 266 CB LEU A 36 -9.639 9.157 -1.616 1.00 0.00 C ATOM 267 CG LEU A 36 -10.763 8.457 -2.426 1.00 0.00 C ATOM 268 CD1 LEU A 36 -11.096 9.296 -3.671 1.00 0.00 C ATOM 269 CD2 LEU A 36 -10.396 7.034 -2.884 1.00 0.00 C ATOM 0 H LEU A 36 -7.641 9.272 0.835 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.397 8.482 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.876 10.219 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.710 9.068 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.618 8.374 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.885 8.805 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.433 10.286 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.206 9.393 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.228 6.606 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.512 7.073 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.188 6.413 -2.012 1.00 0.00 H new ATOM 270 N SER A 37 -8.983 6.325 0.676 1.00 0.00 N ATOM 271 CA SER A 37 -8.187 5.087 0.933 1.00 0.00 C ATOM 272 C SER A 37 -8.933 3.793 0.465 1.00 0.00 C ATOM 273 O SER A 37 -10.054 3.497 0.890 1.00 0.00 O ATOM 274 CB SER A 37 -7.820 5.059 2.433 1.00 0.00 C ATOM 275 OG SER A 37 -7.212 6.281 2.860 1.00 0.00 O ATOM 0 H SER A 37 -9.894 6.336 1.135 1.00 0.00 H new ATOM 0 HA SER A 37 -7.272 5.106 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.718 4.876 3.022 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.139 4.230 2.624 1.00 0.00 H new ATOM 0 HG SER A 37 -7.286 6.360 3.834 1.00 0.00 H new ATOM 276 N ARG A 38 -8.292 3.022 -0.426 1.00 0.00 N ATOM 277 CA ARG A 38 -8.896 1.819 -1.076 1.00 0.00 C ATOM 278 C ARG A 38 -7.857 0.649 -1.145 1.00 0.00 C ATOM 279 O ARG A 38 -6.696 0.891 -1.483 1.00 0.00 O ATOM 280 CB ARG A 38 -9.363 2.318 -2.475 1.00 0.00 C ATOM 281 CG ARG A 38 -10.295 1.378 -3.265 1.00 0.00 C ATOM 282 CD ARG A 38 -10.707 2.007 -4.608 1.00 0.00 C ATOM 283 NE ARG A 38 -11.728 1.163 -5.271 1.00 0.00 N ATOM 284 CZ ARG A 38 -12.202 1.355 -6.495 1.00 0.00 C ATOM 285 NH1 ARG A 38 -11.835 2.332 -7.284 1.00 0.00 N ATOM 286 NH2 ARG A 38 -13.087 0.517 -6.936 1.00 0.00 N ATOM 0 H ARG A 38 -7.335 3.205 -0.726 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.737 1.405 -0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.873 3.273 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.478 2.510 -3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.792 0.428 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.184 1.161 -2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.103 3.009 -4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.835 2.111 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.096 0.371 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.140 3.009 -6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.244 2.417 -8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.395 -0.257 -6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.475 0.631 -7.872 1.00 0.00 H new ATOM 287 N CYS A 39 -8.219 -0.615 -0.837 1.00 0.00 N ATOM 288 CA CYS A 39 -7.239 -1.741 -0.840 1.00 0.00 C ATOM 289 C CYS A 39 -6.571 -2.028 -2.227 1.00 0.00 C ATOM 290 O CYS A 39 -7.166 -1.896 -3.300 1.00 0.00 O ATOM 291 CB CYS A 39 -7.889 -3.054 -0.362 1.00 0.00 C ATOM 292 SG CYS A 39 -8.635 -3.055 1.282 1.00 0.00 S ATOM 0 H CYS A 39 -9.169 -0.887 -0.585 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.460 -1.405 -0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.659 -3.332 -1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.130 -3.836 -0.389 1.00 0.00 H new ATOM 293 N ALA A 40 -5.309 -2.451 -2.152 1.00 0.00 N ATOM 294 CA ALA A 40 -4.445 -2.671 -3.329 1.00 0.00 C ATOM 295 C ALA A 40 -3.483 -3.903 -3.224 1.00 0.00 C ATOM 296 O ALA A 40 -3.301 -4.543 -2.183 1.00 0.00 O ATOM 297 CB ALA A 40 -3.708 -1.330 -3.463 1.00 0.00 C ATOM 0 H ALA A 40 -4.846 -2.655 -1.266 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.024 -2.939 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.028 -1.372 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.433 -0.530 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.139 -1.135 -2.554 1.00 0.00 H new ATOM 298 N LEU A 41 -2.869 -4.222 -4.369 1.00 0.00 N ATOM 299 CA LEU A 41 -1.815 -5.268 -4.483 1.00 0.00 C ATOM 300 C LEU A 41 -0.378 -4.661 -4.283 1.00 0.00 C ATOM 301 O LEU A 41 -0.197 -3.437 -4.300 1.00 0.00 O ATOM 302 CB LEU A 41 -2.008 -6.001 -5.850 1.00 0.00 C ATOM 303 CG LEU A 41 -1.594 -5.303 -7.182 1.00 0.00 C ATOM 304 CD1 LEU A 41 -1.436 -6.343 -8.303 1.00 0.00 C ATOM 305 CD2 LEU A 41 -2.592 -4.233 -7.657 1.00 0.00 C ATOM 0 H LEU A 41 -3.082 -3.765 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.913 -6.004 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.458 -6.940 -5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.065 -6.255 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.649 -4.804 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.147 -5.841 -9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.667 -7.063 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.382 -6.863 -8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.237 -3.792 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.567 -4.692 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.681 -3.456 -6.898 1.00 0.00 H new ATOM 306 N LYS A 42 0.661 -5.500 -4.110 1.00 0.00 N ATOM 307 CA LYS A 42 2.071 -5.004 -4.035 1.00 0.00 C ATOM 308 C LYS A 42 2.580 -4.344 -5.382 1.00 0.00 C ATOM 309 O LYS A 42 2.042 -4.593 -6.467 1.00 0.00 O ATOM 310 CB LYS A 42 2.973 -6.143 -3.455 1.00 0.00 C ATOM 311 CG LYS A 42 3.222 -7.486 -4.177 1.00 0.00 C ATOM 312 CD LYS A 42 3.812 -7.395 -5.588 1.00 0.00 C ATOM 313 CE LYS A 42 4.230 -8.755 -6.161 1.00 0.00 C ATOM 314 NZ LYS A 42 4.843 -8.521 -7.482 1.00 0.00 N ATOM 0 H LYS A 42 0.566 -6.512 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 42 2.129 -4.164 -3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.954 -5.700 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.561 -6.392 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.893 -8.086 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.276 -8.025 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.078 -6.939 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.679 -6.735 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.937 -9.249 -5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.365 -9.413 -6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.137 -9.430 -7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.151 -8.063 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.674 -7.905 -7.375 1.00 0.00 H new ATOM 315 N ALA A 43 3.621 -3.492 -5.321 1.00 0.00 N ATOM 316 CA ALA A 43 4.209 -2.852 -6.530 1.00 0.00 C ATOM 317 C ALA A 43 5.079 -3.839 -7.391 1.00 0.00 C ATOM 318 O ALA A 43 5.447 -4.942 -6.979 1.00 0.00 O ATOM 319 CB ALA A 43 5.012 -1.631 -6.008 1.00 0.00 C ATOM 0 H ALA A 43 4.078 -3.226 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 43 3.429 -2.539 -7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.473 -1.112 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.340 -0.950 -5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.788 -1.972 -5.323 1.00 0.00 H new ATOM 320 N ARG A 44 5.414 -3.426 -8.613 1.00 0.00 N ATOM 321 CA ARG A 44 6.129 -4.289 -9.593 1.00 0.00 C ATOM 322 C ARG A 44 7.669 -4.051 -9.600 1.00 0.00 C ATOM 323 O ARG A 44 8.179 -3.031 -9.136 1.00 0.00 O ATOM 324 CB ARG A 44 5.505 -4.020 -10.995 1.00 0.00 C ATOM 325 CG ARG A 44 4.196 -4.797 -11.298 1.00 0.00 C ATOM 326 CD ARG A 44 2.918 -3.941 -11.358 1.00 0.00 C ATOM 327 NE ARG A 44 2.345 -3.690 -10.009 1.00 0.00 N ATOM 328 CZ ARG A 44 1.395 -2.802 -9.737 1.00 0.00 C ATOM 329 NH1 ARG A 44 0.895 -1.968 -10.611 1.00 0.00 N ATOM 330 NH2 ARG A 44 0.930 -2.757 -8.529 1.00 0.00 N ATOM 0 H ARG A 44 5.205 -2.491 -8.964 1.00 0.00 H new ATOM 0 HA ARG A 44 6.005 -5.334 -9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.304 -2.953 -11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.242 -4.272 -11.757 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.312 -5.313 -12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.064 -5.564 -10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.143 -2.989 -11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.176 -4.443 -11.978 1.00 0.00 H new ATOM 0 HE ARG A 44 2.709 -4.242 -9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.234 -1.973 -11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.166 -1.312 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.294 -3.392 -7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.200 -2.086 -8.288 1.00 0.00 H new ATOM 331 N GLU A 45 8.408 -5.010 -10.180 1.00 0.00 N ATOM 332 CA GLU A 45 9.891 -4.918 -10.326 1.00 0.00 C ATOM 333 C GLU A 45 10.293 -3.721 -11.255 1.00 0.00 C ATOM 334 O GLU A 45 9.773 -3.566 -12.363 1.00 0.00 O ATOM 335 CB GLU A 45 10.450 -6.283 -10.806 1.00 0.00 C ATOM 336 CG GLU A 45 11.977 -6.414 -10.554 1.00 0.00 C ATOM 337 CD GLU A 45 12.579 -7.779 -10.855 1.00 0.00 C ATOM 338 OE1 GLU A 45 12.717 -8.004 -12.188 1.00 0.00 O ATOM 339 OE2 GLU A 45 12.918 -8.578 -9.988 1.00 0.00 O ATOM 0 H GLU A 45 8.010 -5.868 -10.562 1.00 0.00 H new ATOM 0 HA GLU A 45 10.344 -4.704 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.928 -7.089 -10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.248 -6.402 -11.870 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.492 -5.668 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.177 -6.171 -9.510 1.00 0.00 H new ATOM 340 N ASN A 46 11.216 -2.888 -10.754 1.00 0.00 N ATOM 341 CA ASN A 46 11.635 -1.581 -11.380 1.00 0.00 C ATOM 342 C ASN A 46 10.631 -0.386 -11.097 1.00 0.00 C ATOM 343 O ASN A 46 10.764 0.680 -11.704 1.00 0.00 O ATOM 344 CB ASN A 46 12.020 -1.684 -12.890 1.00 0.00 C ATOM 345 CG ASN A 46 13.162 -2.638 -13.217 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.331 -2.366 -12.977 1.00 0.00 O ATOM 347 ND2 ASN A 46 12.867 -3.775 -13.784 1.00 0.00 N ATOM 0 H ASN A 46 11.714 -3.088 -9.887 1.00 0.00 H new ATOM 0 HA ASN A 46 12.560 -1.332 -10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.139 -1.996 -13.450 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.289 -0.689 -13.246 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.609 -4.432 -14.025 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.895 -4.007 -13.986 1.00 0.00 H new ATOM 348 N SER A 47 9.702 -0.507 -10.125 1.00 0.00 N ATOM 349 CA SER A 47 8.786 0.586 -9.698 1.00 0.00 C ATOM 350 C SER A 47 9.076 1.051 -8.231 1.00 0.00 C ATOM 351 O SER A 47 9.667 0.341 -7.410 1.00 0.00 O ATOM 352 CB SER A 47 7.337 0.062 -9.868 1.00 0.00 C ATOM 353 OG SER A 47 6.372 1.083 -9.603 1.00 0.00 O ATOM 0 H SER A 47 9.561 -1.373 -9.606 1.00 0.00 H new ATOM 0 HA SER A 47 8.939 1.471 -10.315 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.202 -0.312 -10.883 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.172 -0.778 -9.194 1.00 0.00 H new ATOM 0 HG SER A 47 5.470 0.719 -9.721 1.00 0.00 H new ATOM 354 N GLU A 48 8.614 2.266 -7.898 1.00 0.00 N ATOM 355 CA GLU A 48 8.870 2.912 -6.590 1.00 0.00 C ATOM 356 C GLU A 48 8.100 2.245 -5.394 1.00 0.00 C ATOM 357 O GLU A 48 6.868 2.230 -5.314 1.00 0.00 O ATOM 358 CB GLU A 48 8.503 4.418 -6.688 1.00 0.00 C ATOM 359 CG GLU A 48 9.425 5.293 -7.582 1.00 0.00 C ATOM 360 CD GLU A 48 9.128 6.791 -7.528 1.00 0.00 C ATOM 361 OE1 GLU A 48 8.601 7.357 -6.575 1.00 0.00 O ATOM 362 OE2 GLU A 48 9.556 7.441 -8.641 1.00 0.00 O ATOM 0 H GLU A 48 8.049 2.835 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 48 9.930 2.784 -6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.484 4.498 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.504 4.837 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.460 5.130 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.335 4.955 -8.614 1.00 0.00 H new ATOM 363 N CYS A 49 8.893 1.711 -4.472 1.00 0.00 N ATOM 364 CA CYS A 49 8.425 1.062 -3.219 1.00 0.00 C ATOM 365 C CYS A 49 9.039 1.683 -1.917 1.00 0.00 C ATOM 366 O CYS A 49 10.093 2.329 -1.913 1.00 0.00 O ATOM 367 CB CYS A 49 8.852 -0.414 -3.331 1.00 0.00 C ATOM 368 SG CYS A 49 10.627 -0.653 -3.099 1.00 0.00 S ATOM 0 H CYS A 49 9.909 1.709 -4.563 1.00 0.00 H new ATOM 0 HA CYS A 49 7.348 1.199 -3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.312 -1.000 -2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.564 -0.797 -4.310 1.00 0.00 H new ATOM 369 N SER A 50 8.378 1.436 -0.783 1.00 0.00 N ATOM 370 CA SER A 50 8.897 1.788 0.567 1.00 0.00 C ATOM 371 C SER A 50 8.652 0.526 1.445 1.00 0.00 C ATOM 372 O SER A 50 7.523 0.030 1.547 1.00 0.00 O ATOM 373 CB SER A 50 8.222 3.049 1.130 1.00 0.00 C ATOM 374 OG SER A 50 8.900 3.513 2.299 1.00 0.00 O ATOM 0 H SER A 50 7.463 0.985 -0.762 1.00 0.00 H new ATOM 0 HA SER A 50 9.957 2.042 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.218 3.833 0.372 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.181 2.832 1.371 1.00 0.00 H new ATOM 0 HG SER A 50 8.454 4.317 2.638 1.00 0.00 H new ATOM 375 N ALA A 51 9.707 -0.019 2.065 1.00 0.00 N ATOM 376 CA ALA A 51 9.618 -1.297 2.821 1.00 0.00 C ATOM 377 C ALA A 51 9.002 -1.201 4.257 1.00 0.00 C ATOM 378 O ALA A 51 9.648 -1.510 5.266 1.00 0.00 O ATOM 379 CB ALA A 51 11.081 -1.746 2.920 1.00 0.00 C ATOM 0 H ALA A 51 10.638 0.398 2.064 1.00 0.00 H new ATOM 0 HA ALA A 51 8.943 -1.980 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.136 -2.689 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.489 -1.881 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.659 -0.988 3.448 1.00 0.00 H new ATOM 380 N PHE A 52 7.731 -0.799 4.345 1.00 0.00 N ATOM 381 CA PHE A 52 7.101 -0.515 5.662 1.00 0.00 C ATOM 382 C PHE A 52 5.578 -0.785 5.837 1.00 0.00 C ATOM 383 O PHE A 52 4.741 -0.482 4.984 1.00 0.00 O ATOM 384 CB PHE A 52 7.391 0.993 5.999 1.00 0.00 C ATOM 385 CG PHE A 52 8.194 1.110 7.290 1.00 0.00 C ATOM 386 CD1 PHE A 52 7.546 1.070 8.527 1.00 0.00 C ATOM 387 CD2 PHE A 52 9.586 1.040 7.233 1.00 0.00 C ATOM 388 CE1 PHE A 52 8.291 0.966 9.697 1.00 0.00 C ATOM 389 CE2 PHE A 52 10.330 0.935 8.402 1.00 0.00 C ATOM 390 CZ PHE A 52 9.684 0.905 9.638 1.00 0.00 C ATOM 0 H PHE A 52 7.117 -0.661 3.542 1.00 0.00 H new ATOM 0 HA PHE A 52 7.551 -1.238 6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.941 1.455 5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.451 1.536 6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.468 1.120 8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.087 1.068 6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.790 0.932 10.653 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.407 0.877 8.354 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.261 0.835 10.548 1.00 0.00 H new ATOM 391 N THR A 53 5.253 -1.289 7.036 1.00 0.00 N ATOM 392 CA THR A 53 3.857 -1.475 7.506 1.00 0.00 C ATOM 393 C THR A 53 3.786 -1.125 9.018 1.00 0.00 C ATOM 394 O THR A 53 4.700 -1.365 9.816 1.00 0.00 O ATOM 395 CB THR A 53 3.240 -2.893 7.325 1.00 0.00 C ATOM 396 OG1 THR A 53 4.016 -3.903 7.967 1.00 0.00 O ATOM 397 CG2 THR A 53 3.106 -3.286 5.860 1.00 0.00 C ATOM 0 H THR A 53 5.951 -1.584 7.718 1.00 0.00 H new ATOM 0 HA THR A 53 3.269 -0.814 6.869 1.00 0.00 H new ATOM 0 HB THR A 53 2.253 -2.829 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.593 -4.777 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.671 -4.283 5.789 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.461 -2.571 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.090 -3.286 5.392 1.00 0.00 H new ATOM 398 N LEU A 54 2.624 -0.605 9.393 1.00 0.00 N ATOM 399 CA LEU A 54 2.284 -0.302 10.803 1.00 0.00 C ATOM 400 C LEU A 54 0.833 -0.847 11.021 1.00 0.00 C ATOM 401 O LEU A 54 0.584 -2.037 10.797 1.00 0.00 O ATOM 402 CB LEU A 54 2.613 1.207 11.082 1.00 0.00 C ATOM 403 CG LEU A 54 1.985 2.310 10.169 1.00 0.00 C ATOM 404 CD1 LEU A 54 1.659 3.579 10.969 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.913 2.700 9.001 1.00 0.00 C ATOM 0 H LEU A 54 1.879 -0.376 8.735 1.00 0.00 H new ATOM 0 HA LEU A 54 2.876 -0.798 11.573 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.315 1.423 12.108 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.696 1.320 11.034 1.00 0.00 H new ATOM 0 HG LEU A 54 1.069 1.877 9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.224 4.326 10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.948 3.338 11.760 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.573 3.975 11.411 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.433 3.469 8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.853 3.084 9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.110 1.823 8.384 1.00 0.00 H new ATOM 406 N TYR A 55 -0.122 -0.024 11.465 1.00 0.00 N ATOM 407 CA TYR A 55 -1.560 -0.434 11.562 1.00 0.00 C ATOM 408 C TYR A 55 -2.408 0.707 10.925 1.00 0.00 C ATOM 409 O TYR A 55 -3.298 1.290 11.552 1.00 0.00 O ATOM 410 CB TYR A 55 -1.932 -0.783 13.037 1.00 0.00 C ATOM 411 CG TYR A 55 -1.246 -2.059 13.551 1.00 0.00 C ATOM 412 CD1 TYR A 55 -1.687 -3.312 13.115 1.00 0.00 C ATOM 413 CD2 TYR A 55 -0.050 -1.960 14.268 1.00 0.00 C ATOM 414 CE1 TYR A 55 -0.915 -4.446 13.353 1.00 0.00 C ATOM 415 CE2 TYR A 55 0.721 -3.094 14.503 1.00 0.00 C ATOM 416 CZ TYR A 55 0.288 -4.337 14.048 1.00 0.00 C ATOM 417 OH TYR A 55 1.071 -5.441 14.247 1.00 0.00 O ATOM 0 H TYR A 55 0.057 0.934 11.767 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.767 -1.351 11.010 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.659 0.053 13.681 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.013 -0.904 13.113 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.628 -3.400 12.593 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.276 -1.000 14.641 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.249 -5.410 12.999 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.655 -3.010 15.038 1.00 0.00 H new ATOM 0 HH TYR A 55 1.874 -5.187 14.748 1.00 0.00 H new ATOM 418 N GLY A 56 -2.132 1.018 9.644 1.00 0.00 N ATOM 419 CA GLY A 56 -2.777 2.184 8.985 1.00 0.00 C ATOM 420 C GLY A 56 -2.567 2.288 7.473 1.00 0.00 C ATOM 421 O GLY A 56 -2.053 1.385 6.822 1.00 0.00 O ATOM 0 H GLY A 56 -1.485 0.497 9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.848 2.144 9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.401 3.095 9.450 1.00 0.00 H new ATOM 422 N VAL A 57 -3.009 3.406 6.914 1.00 0.00 N ATOM 423 CA VAL A 57 -3.037 3.614 5.430 1.00 0.00 C ATOM 424 C VAL A 57 -1.638 4.048 4.877 1.00 0.00 C ATOM 425 O VAL A 57 -0.895 4.818 5.495 1.00 0.00 O ATOM 426 CB VAL A 57 -4.144 4.639 5.027 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.489 4.565 3.527 1.00 0.00 C ATOM 428 CG2 VAL A 57 -5.494 4.401 5.706 1.00 0.00 C ATOM 0 H VAL A 57 -3.360 4.200 7.449 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.282 2.655 4.973 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.704 5.590 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.263 5.296 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.598 4.781 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.850 3.565 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.207 5.155 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.864 3.410 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.374 4.468 6.787 1.00 0.00 H new ATOM 429 N TYR A 58 -1.313 3.556 3.678 1.00 0.00 N ATOM 430 CA TYR A 58 0.017 3.734 3.053 1.00 0.00 C ATOM 431 C TYR A 58 -0.056 4.496 1.699 1.00 0.00 C ATOM 432 O TYR A 58 -0.914 4.238 0.851 1.00 0.00 O ATOM 433 CB TYR A 58 0.595 2.309 2.821 1.00 0.00 C ATOM 434 CG TYR A 58 0.680 1.316 4.002 1.00 0.00 C ATOM 435 CD1 TYR A 58 0.947 1.725 5.315 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.365 -0.021 3.752 1.00 0.00 C ATOM 437 CE1 TYR A 58 0.890 0.805 6.360 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.330 -0.943 4.795 1.00 0.00 C ATOM 439 CZ TYR A 58 0.564 -0.522 6.100 1.00 0.00 C ATOM 440 OH TYR A 58 0.377 -1.393 7.139 1.00 0.00 O ATOM 0 H TYR A 58 -1.963 3.019 3.104 1.00 0.00 H new ATOM 0 HA TYR A 58 0.647 4.334 3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.004 1.838 2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.602 2.427 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.198 2.756 5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.147 -0.342 2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.099 1.122 7.371 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.122 -1.983 4.591 1.00 0.00 H new ATOM 0 HH TYR A 58 0.154 -2.280 6.786 1.00 0.00 H new ATOM 441 N TYR A 59 0.908 5.389 1.465 1.00 0.00 N ATOM 442 CA TYR A 59 1.054 6.115 0.156 1.00 0.00 C ATOM 443 C TYR A 59 1.637 5.268 -1.056 1.00 0.00 C ATOM 444 O TYR A 59 1.736 5.764 -2.180 1.00 0.00 O ATOM 445 CB TYR A 59 1.978 7.350 0.418 1.00 0.00 C ATOM 446 CG TYR A 59 1.720 8.278 1.629 1.00 0.00 C ATOM 447 CD1 TYR A 59 0.452 8.815 1.872 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.751 8.517 2.546 1.00 0.00 C ATOM 449 CE1 TYR A 59 0.211 9.551 3.030 1.00 0.00 C ATOM 450 CE2 TYR A 59 2.508 9.258 3.701 1.00 0.00 C ATOM 451 CZ TYR A 59 1.237 9.775 3.939 1.00 0.00 C ATOM 452 OH TYR A 59 0.986 10.495 5.074 1.00 0.00 O ATOM 0 H TYR A 59 1.614 5.643 2.156 1.00 0.00 H new ATOM 0 HA TYR A 59 0.047 6.380 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.998 6.976 0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.946 7.972 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.344 8.659 1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.740 8.125 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.775 9.948 3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.304 9.431 4.410 1.00 0.00 H new ATOM 0 HH TYR A 59 1.806 10.562 5.607 1.00 0.00 H new ATOM 453 N LYS A 60 2.072 4.029 -0.791 1.00 0.00 N ATOM 454 CA LYS A 60 2.754 3.105 -1.715 1.00 0.00 C ATOM 455 C LYS A 60 2.642 1.677 -1.078 1.00 0.00 C ATOM 456 O LYS A 60 2.992 1.465 0.091 1.00 0.00 O ATOM 457 CB LYS A 60 4.243 3.524 -1.949 1.00 0.00 C ATOM 458 CG LYS A 60 5.275 3.479 -0.784 1.00 0.00 C ATOM 459 CD LYS A 60 5.091 4.491 0.375 1.00 0.00 C ATOM 460 CE LYS A 60 4.417 3.934 1.642 1.00 0.00 C ATOM 461 NZ LYS A 60 4.351 4.980 2.681 1.00 0.00 N ATOM 0 H LYS A 60 1.950 3.616 0.134 1.00 0.00 H new ATOM 0 HA LYS A 60 2.288 3.123 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.632 2.891 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.233 4.546 -2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.259 2.475 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.268 3.630 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.070 4.885 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.500 5.331 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.413 3.582 1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.976 3.076 2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.895 4.595 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.313 5.296 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.799 5.787 2.327 1.00 0.00 H new ATOM 462 N CYS A 61 2.153 0.675 -1.815 1.00 0.00 N ATOM 463 CA CYS A 61 2.141 -0.725 -1.314 1.00 0.00 C ATOM 464 C CYS A 61 3.599 -1.338 -1.187 1.00 0.00 C ATOM 465 O CYS A 61 4.362 -1.204 -2.152 1.00 0.00 O ATOM 466 CB CYS A 61 1.250 -1.546 -2.256 1.00 0.00 C ATOM 467 SG CYS A 61 -0.485 -1.106 -2.072 1.00 0.00 S ATOM 0 H CYS A 61 1.762 0.792 -2.750 1.00 0.00 H new ATOM 0 HA CYS A 61 1.738 -0.748 -0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.561 -1.382 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.381 -2.608 -2.049 1.00 0.00 H new ATOM 468 N PRO A 62 4.023 -2.028 -0.078 1.00 0.00 N ATOM 469 CA PRO A 62 5.435 -2.517 0.107 1.00 0.00 C ATOM 470 C PRO A 62 6.207 -3.382 -0.951 1.00 0.00 C ATOM 471 O PRO A 62 7.370 -3.718 -0.711 1.00 0.00 O ATOM 472 CB PRO A 62 5.307 -3.283 1.439 1.00 0.00 C ATOM 473 CG PRO A 62 4.255 -2.516 2.229 1.00 0.00 C ATOM 474 CD PRO A 62 3.239 -2.085 1.179 1.00 0.00 C ATOM 0 HA PRO A 62 6.077 -1.640 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.002 -4.316 1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.258 -3.313 1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.796 -3.143 2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.689 -1.656 2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.416 -2.796 1.104 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.802 -1.116 1.421 1.00 0.00 H new ATOM 475 N CYS A 63 5.603 -3.742 -2.100 1.00 0.00 N ATOM 476 CA CYS A 63 6.268 -4.459 -3.241 1.00 0.00 C ATOM 477 C CYS A 63 6.612 -5.970 -3.086 1.00 0.00 C ATOM 478 O CYS A 63 6.483 -6.746 -4.031 1.00 0.00 O ATOM 479 CB CYS A 63 7.489 -3.658 -3.736 1.00 0.00 C ATOM 480 SG CYS A 63 7.640 -3.851 -5.506 1.00 0.00 S ATOM 0 H CYS A 63 4.618 -3.545 -2.279 1.00 0.00 H new ATOM 0 HA CYS A 63 5.475 -4.496 -3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.375 -2.604 -3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.394 -4.009 -3.241 1.00 0.00 H new ATOM 481 N GLU A 64 7.086 -6.381 -1.920 1.00 0.00 N ATOM 482 CA GLU A 64 7.608 -7.740 -1.687 1.00 0.00 C ATOM 483 C GLU A 64 6.768 -8.965 -1.227 1.00 0.00 C ATOM 484 O GLU A 64 7.056 -9.614 -0.215 1.00 0.00 O ATOM 485 CB GLU A 64 8.899 -7.516 -0.872 1.00 0.00 C ATOM 486 CG GLU A 64 8.813 -6.886 0.545 1.00 0.00 C ATOM 487 CD GLU A 64 10.178 -6.702 1.200 1.00 0.00 C ATOM 488 OE1 GLU A 64 10.738 -7.894 1.551 1.00 0.00 O ATOM 489 OE2 GLU A 64 10.712 -5.610 1.366 1.00 0.00 O ATOM 0 H GLU A 64 7.124 -5.783 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 64 7.695 -8.160 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.392 -8.483 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.557 -6.885 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.316 -5.918 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.194 -7.519 1.181 1.00 0.00 H new ATOM 490 N ARG A 65 5.764 -9.323 -2.028 1.00 0.00 N ATOM 491 CA ARG A 65 5.040 -10.627 -1.859 1.00 0.00 C ATOM 492 C ARG A 65 5.849 -11.653 -2.721 1.00 0.00 C ATOM 493 O ARG A 65 5.601 -11.863 -3.910 1.00 0.00 O ATOM 494 CB ARG A 65 3.537 -10.556 -2.188 1.00 0.00 C ATOM 495 CG ARG A 65 2.735 -9.819 -1.090 1.00 0.00 C ATOM 496 CD ARG A 65 1.265 -10.253 -0.999 1.00 0.00 C ATOM 497 NE ARG A 65 0.338 -9.390 -1.782 1.00 0.00 N ATOM 498 CZ ARG A 65 -0.070 -9.620 -3.025 1.00 0.00 C ATOM 499 NH1 ARG A 65 0.394 -10.573 -3.789 1.00 0.00 N ATOM 500 NH2 ARG A 65 -0.987 -8.846 -3.510 1.00 0.00 N ATOM 0 H ARG A 65 5.421 -8.750 -2.799 1.00 0.00 H new ATOM 0 HA ARG A 65 5.012 -10.936 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.399 -10.046 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.144 -11.566 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.215 -9.990 -0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.776 -8.747 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.176 -11.281 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.957 -10.247 0.047 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.014 -8.549 -1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.118 -11.200 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.032 -10.690 -4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.370 -8.091 -2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.326 -8.991 -4.461 1.00 0.00 H new ATOM 501 N GLY A 66 6.861 -12.246 -2.079 1.00 0.00 N ATOM 502 CA GLY A 66 7.874 -13.106 -2.776 1.00 0.00 C ATOM 503 C GLY A 66 9.010 -12.362 -3.560 1.00 0.00 C ATOM 504 O GLY A 66 9.578 -12.916 -4.501 1.00 0.00 O ATOM 0 H GLY A 66 7.017 -12.157 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.341 -13.752 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.346 -13.754 -3.476 1.00 0.00 H new ATOM 505 N LEU A 67 9.335 -11.117 -3.171 1.00 0.00 N ATOM 506 CA LEU A 67 10.335 -10.230 -3.849 1.00 0.00 C ATOM 507 C LEU A 67 11.142 -9.414 -2.762 1.00 0.00 C ATOM 508 O LEU A 67 11.217 -9.787 -1.585 1.00 0.00 O ATOM 509 CB LEU A 67 9.495 -9.473 -4.949 1.00 0.00 C ATOM 510 CG LEU A 67 10.137 -8.343 -5.808 1.00 0.00 C ATOM 511 CD1 LEU A 67 9.699 -8.424 -7.277 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.755 -6.946 -5.281 1.00 0.00 C ATOM 0 H LEU A 67 8.907 -10.675 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 67 11.157 -10.712 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.121 -10.227 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.628 -9.041 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 67 11.215 -8.489 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.169 -7.619 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.002 -9.384 -7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.615 -8.327 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.220 -6.182 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.672 -6.829 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.102 -6.837 -4.254 1.00 0.00 H new ATOM 513 N THR A 68 11.822 -8.322 -3.135 1.00 0.00 N ATOM 514 CA THR A 68 12.514 -7.405 -2.201 1.00 0.00 C ATOM 515 C THR A 68 12.319 -5.903 -2.645 1.00 0.00 C ATOM 516 O THR A 68 12.366 -5.539 -3.824 1.00 0.00 O ATOM 517 CB THR A 68 14.007 -7.880 -2.148 1.00 0.00 C ATOM 518 OG1 THR A 68 14.171 -8.777 -1.057 1.00 0.00 O ATOM 519 CG2 THR A 68 15.019 -6.750 -1.970 1.00 0.00 C ATOM 0 H THR A 68 11.912 -8.040 -4.111 1.00 0.00 H new ATOM 0 HA THR A 68 12.099 -7.439 -1.193 1.00 0.00 H new ATOM 0 HB THR A 68 14.205 -8.348 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.349 -9.297 -0.935 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.027 -7.165 -1.943 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.936 -6.052 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.818 -6.225 -1.036 1.00 0.00 H new ATOM 520 N CYS A 69 12.081 -5.033 -1.660 1.00 0.00 N ATOM 521 CA CYS A 69 12.069 -3.561 -1.866 1.00 0.00 C ATOM 522 C CYS A 69 13.500 -3.001 -1.556 1.00 0.00 C ATOM 523 O CYS A 69 13.984 -3.167 -0.430 1.00 0.00 O ATOM 524 CB CYS A 69 10.970 -2.949 -0.983 1.00 0.00 C ATOM 525 SG CYS A 69 10.966 -1.151 -1.183 1.00 0.00 S ATOM 0 H CYS A 69 11.891 -5.315 -0.698 1.00 0.00 H new ATOM 0 HA CYS A 69 11.836 -3.295 -2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.998 -3.358 -1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.141 -3.209 0.062 1.00 0.00 H new ATOM 526 N GLU A 70 14.170 -2.291 -2.481 1.00 0.00 N ATOM 527 CA GLU A 70 15.532 -1.733 -2.210 1.00 0.00 C ATOM 528 C GLU A 70 15.425 -0.248 -1.709 1.00 0.00 C ATOM 529 O GLU A 70 15.702 0.721 -2.424 1.00 0.00 O ATOM 530 CB GLU A 70 16.378 -1.934 -3.502 1.00 0.00 C ATOM 531 CG GLU A 70 17.905 -1.704 -3.350 1.00 0.00 C ATOM 532 CD GLU A 70 18.642 -2.748 -2.512 1.00 0.00 C ATOM 533 OE1 GLU A 70 19.124 -3.778 -2.970 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.698 -2.409 -1.196 1.00 0.00 O ATOM 0 H GLU A 70 13.809 -2.085 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 70 16.042 -2.253 -1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.217 -2.949 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.002 -1.257 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 70 18.353 -1.678 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.065 -0.723 -2.902 1.00 0.00 H new ATOM 625 N PHE A 84 11.631 7.380 -1.228 1.00 0.00 N ATOM 626 CA PHE A 84 11.312 5.978 -1.653 1.00 0.00 C ATOM 627 C PHE A 84 12.479 5.268 -2.421 1.00 0.00 C ATOM 628 O PHE A 84 13.357 5.913 -2.997 1.00 0.00 O ATOM 629 CB PHE A 84 10.027 5.984 -2.552 1.00 0.00 C ATOM 630 CG PHE A 84 8.710 6.620 -2.049 1.00 0.00 C ATOM 631 CD1 PHE A 84 8.317 6.552 -0.707 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.890 7.293 -2.962 1.00 0.00 C ATOM 633 CE1 PHE A 84 7.151 7.180 -0.280 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.717 7.913 -2.534 1.00 0.00 C ATOM 635 CZ PHE A 84 6.343 7.845 -1.197 1.00 0.00 C ATOM 0 HA PHE A 84 11.150 5.408 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.290 6.487 -3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.806 4.946 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.923 6.008 0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.168 7.332 -4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.873 7.151 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.099 8.446 -3.241 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.424 8.309 -0.870 1.00 0.00 H new ATOM 636 N GLY A 85 12.475 3.923 -2.411 1.00 0.00 N ATOM 637 CA GLY A 85 13.426 3.089 -3.203 1.00 0.00 C ATOM 638 C GLY A 85 12.785 2.405 -4.438 1.00 0.00 C ATOM 639 O GLY A 85 11.678 2.754 -4.850 1.00 0.00 O ATOM 0 H GLY A 85 11.817 3.374 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.253 3.716 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.849 2.322 -2.554 1.00 0.00 H new ATOM 640 N ILE A 86 13.465 1.409 -5.025 1.00 0.00 N ATOM 641 CA ILE A 86 12.936 0.655 -6.214 1.00 0.00 C ATOM 642 C ILE A 86 12.833 -0.880 -5.889 1.00 0.00 C ATOM 643 O ILE A 86 13.695 -1.479 -5.242 1.00 0.00 O ATOM 644 CB ILE A 86 13.816 0.913 -7.500 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.960 2.404 -7.925 1.00 0.00 C ATOM 646 CG2 ILE A 86 13.271 0.160 -8.742 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.688 3.112 -8.426 1.00 0.00 C ATOM 0 H ILE A 86 14.382 1.093 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 86 11.934 1.025 -6.431 1.00 0.00 H new ATOM 0 HB ILE A 86 14.793 0.543 -7.189 1.00 0.00 H new ATOM 0 HG12 ILE A 86 14.346 2.964 -7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.712 2.461 -8.712 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.908 0.367 -9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.266 -0.912 -8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.255 0.495 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.925 4.143 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 86 12.304 2.592 -9.304 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.933 3.103 -7.640 1.00 0.00 H new ATOM 648 N CYS A 87 11.784 -1.537 -6.401 1.00 0.00 N ATOM 649 CA CYS A 87 11.598 -3.003 -6.303 1.00 0.00 C ATOM 650 C CYS A 87 12.618 -3.876 -7.116 1.00 0.00 C ATOM 651 O CYS A 87 12.656 -3.797 -8.351 1.00 0.00 O ATOM 652 CB CYS A 87 10.234 -3.242 -6.955 1.00 0.00 C ATOM 653 SG CYS A 87 8.834 -2.427 -6.209 1.00 0.00 S ATOM 0 H CYS A 87 11.029 -1.067 -6.901 1.00 0.00 H new ATOM 0 HA CYS A 87 11.718 -3.290 -5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 87 10.295 -2.927 -7.997 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.041 -4.315 -6.957 1.00 0.00 H new ATOM 654 N HIS A 88 13.424 -4.723 -6.463 1.00 0.00 N ATOM 655 CA HIS A 88 14.319 -5.676 -7.162 1.00 0.00 C ATOM 656 C HIS A 88 14.340 -6.996 -6.346 1.00 0.00 C ATOM 657 O HIS A 88 14.462 -6.997 -5.121 1.00 0.00 O ATOM 658 CB HIS A 88 15.738 -5.100 -7.304 1.00 0.00 C ATOM 659 CG HIS A 88 15.913 -3.999 -8.350 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.160 -4.268 -9.689 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.708 -2.622 -8.151 1.00 0.00 C ATOM 662 CE1 HIS A 88 16.086 -2.990 -10.186 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.858 -1.941 -9.343 1.00 0.00 N ATOM 0 H HIS A 88 13.480 -4.773 -5.446 1.00 0.00 H new ATOM 0 HA HIS A 88 13.949 -5.862 -8.170 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.047 -4.706 -6.336 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.417 -5.917 -7.548 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.468 -2.163 -7.203 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.208 -2.815 -11.245 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.812 -0.941 -9.538 1.00 0.00 H new ATOM 664 N ASN A 89 14.321 -8.141 -7.022 1.00 0.00 N ATOM 665 CA ASN A 89 14.248 -9.468 -6.339 1.00 0.00 C ATOM 666 C ASN A 89 15.670 -10.096 -6.119 1.00 0.00 C ATOM 667 O ASN A 89 16.089 -11.081 -6.729 1.00 0.00 O ATOM 668 CB ASN A 89 13.288 -10.307 -7.205 1.00 0.00 C ATOM 669 CG ASN A 89 12.789 -11.602 -6.562 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.054 -11.922 -5.410 1.00 0.00 O ATOM 671 ND2 ASN A 89 11.997 -12.368 -7.260 1.00 0.00 N ATOM 0 H ASN A 89 14.354 -8.197 -8.040 1.00 0.00 H new ATOM 0 HA ASN A 89 13.864 -9.403 -5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.425 -9.692 -7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.791 -10.555 -8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.611 -13.216 -6.845 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.764 -12.119 -8.221 1.00 0.00 H new ATOM 672 N VAL A 90 16.379 -9.450 -5.195 1.00 0.00 N ATOM 673 CA VAL A 90 17.796 -9.748 -4.840 1.00 0.00 C ATOM 674 C VAL A 90 17.974 -10.402 -3.425 1.00 0.00 C ATOM 675 O VAL A 90 18.761 -11.337 -3.270 1.00 0.00 O ATOM 676 CB VAL A 90 18.637 -8.433 -5.031 1.00 0.00 C ATOM 677 CG1 VAL A 90 18.832 -8.046 -6.515 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.193 -7.168 -4.249 1.00 0.00 C ATOM 0 H VAL A 90 15.988 -8.682 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 90 18.172 -10.518 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 90 19.578 -8.744 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.420 -7.130 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 90 19.354 -8.849 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 90 17.859 -7.885 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.866 -6.342 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 90 17.177 -6.900 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 90 18.224 -7.372 -3.179 1.00 0.00 H new