USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 458 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 10 LYS NZ :NH3+ -157:sc= 1.01 (180deg=1.15) USER MOD Set 1.2: A 57 THR OG1 : rot -150:sc= -0.268 USER MOD Set 2.1: A 12 ASN : amide:sc=-0.00524 X(o=-0.0052,f=-0.056) USER MOD Set 2.2: A 14 MET CE :methyl -141:sc= 0 (180deg=0) USER MOD Set 3.1: A 2 SER OG : rot 124:sc= 0.951 USER MOD Set 3.2: A 4 ASN : amide:sc= 0.214 K(o=1.2,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -112:sc= 0 (180deg=-0.678) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -127:sc= 1.27 USER MOD Single : A 22 SER OG : rot 37:sc= 0.265 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -61:sc= 0.995 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -135:sc= -1.17 (180deg=-3.14!) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 1.24 (180deg=0.769) USER MOD Single : A 35 CYS SG : rot -77:sc= 1.93 USER MOD Single : A 36 SER OG : rot 180:sc= 0.046 USER MOD Single : A 43 SER OG : rot -113:sc= -2.73! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 53 SER OG : rot 101:sc= 0.5 USER MOD Single : A 54 ASN : amide:sc= -0.235 K(o=-0.24,f=-3!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.319 -3.848 2.899 1.00 0.00 N ATOM 2 CA GLY A 1 -17.603 -3.783 1.604 1.00 0.00 C ATOM 3 C GLY A 1 -16.118 -3.567 1.798 1.00 0.00 C ATOM 4 O GLY A 1 -15.318 -4.475 1.576 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.334 -3.997 2.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.944 -4.637 3.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.182 -2.956 3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.767 -4.707 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.013 -2.973 1.001 1.00 0.00 H new ATOM 8 N SER A 2 -15.743 -2.371 2.228 1.00 0.00 N ATOM 9 CA SER A 2 -14.348 -2.060 2.493 1.00 0.00 C ATOM 10 C SER A 2 -14.237 -1.033 3.613 1.00 0.00 C ATOM 11 O SER A 2 -15.205 -0.337 3.922 1.00 0.00 O ATOM 12 CB SER A 2 -13.665 -1.544 1.221 1.00 0.00 C ATOM 13 OG SER A 2 -14.366 -0.443 0.666 1.00 0.00 O ATOM 0 H SER A 2 -16.387 -1.599 2.401 1.00 0.00 H new ATOM 0 HA SER A 2 -13.843 -2.972 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.642 -1.247 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.606 -2.347 0.487 1.00 0.00 H new ATOM 0 HG SER A 2 -13.760 0.322 0.583 1.00 0.00 H new ATOM 19 N LEU A 3 -13.069 -0.957 4.233 1.00 0.00 N ATOM 20 CA LEU A 3 -12.845 -0.005 5.311 1.00 0.00 C ATOM 21 C LEU A 3 -12.421 1.346 4.752 1.00 0.00 C ATOM 22 O LEU A 3 -12.794 2.394 5.281 1.00 0.00 O ATOM 23 CB LEU A 3 -11.779 -0.517 6.284 1.00 0.00 C ATOM 24 CG LEU A 3 -12.193 -1.687 7.185 1.00 0.00 C ATOM 25 CD1 LEU A 3 -13.520 -1.400 7.876 1.00 0.00 C ATOM 26 CD2 LEU A 3 -12.272 -2.988 6.402 1.00 0.00 C ATOM 0 H LEU A 3 -12.263 -1.541 4.009 1.00 0.00 H new ATOM 0 HA LEU A 3 -13.784 0.111 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.906 -0.821 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.468 0.312 6.920 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.424 -1.800 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.791 -2.245 8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.425 -0.504 8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.295 -1.246 7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.568 -3.797 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.008 -2.888 5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.297 -3.212 5.970 1.00 0.00 H new ATOM 38 N ASN A 4 -11.640 1.302 3.673 1.00 0.00 N ATOM 39 CA ASN A 4 -11.118 2.503 3.023 1.00 0.00 C ATOM 40 C ASN A 4 -10.324 3.349 4.014 1.00 0.00 C ATOM 41 O ASN A 4 -10.645 4.512 4.259 1.00 0.00 O ATOM 42 CB ASN A 4 -12.243 3.337 2.387 1.00 0.00 C ATOM 43 CG ASN A 4 -13.012 2.577 1.321 1.00 0.00 C ATOM 44 OD1 ASN A 4 -12.492 1.645 0.701 1.00 0.00 O ATOM 45 ND2 ASN A 4 -14.253 2.978 1.087 1.00 0.00 N ATOM 0 H ASN A 4 -11.351 0.432 3.225 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.451 2.180 2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.934 3.659 3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.816 4.238 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.813 2.512 0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.648 3.752 1.621 1.00 0.00 H new ATOM 52 N MET A 5 -9.296 2.742 4.591 1.00 0.00 N ATOM 53 CA MET A 5 -8.443 3.407 5.548 1.00 0.00 C ATOM 54 C MET A 5 -7.266 4.060 4.840 1.00 0.00 C ATOM 55 O MET A 5 -6.516 3.390 4.134 1.00 0.00 O ATOM 56 CB MET A 5 -7.932 2.385 6.559 1.00 0.00 C ATOM 57 CG MET A 5 -9.003 1.844 7.495 1.00 0.00 C ATOM 58 SD MET A 5 -8.371 0.567 8.604 1.00 0.00 S ATOM 59 CE MET A 5 -9.834 0.212 9.575 1.00 0.00 C ATOM 0 H MET A 5 -9.035 1.774 4.404 1.00 0.00 H new ATOM 0 HA MET A 5 -9.015 4.180 6.061 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.482 1.551 6.020 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.143 2.843 7.155 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.412 2.663 8.086 1.00 0.00 H new ATOM 0 HG3 MET A 5 -9.823 1.435 6.905 1.00 0.00 H new ATOM 0 HE1 MET A 5 -9.680 0.548 10.601 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.690 0.733 9.147 1.00 0.00 H new ATOM 0 HE3 MET A 5 -10.023 -0.861 9.569 1.00 0.00 H new ATOM 69 N PRO A 6 -7.101 5.378 4.993 1.00 0.00 N ATOM 70 CA PRO A 6 -5.970 6.092 4.412 1.00 0.00 C ATOM 71 C PRO A 6 -4.659 5.689 5.073 1.00 0.00 C ATOM 72 O PRO A 6 -4.532 5.744 6.292 1.00 0.00 O ATOM 73 CB PRO A 6 -6.270 7.569 4.692 1.00 0.00 C ATOM 74 CG PRO A 6 -7.702 7.614 5.115 1.00 0.00 C ATOM 75 CD PRO A 6 -7.997 6.277 5.732 1.00 0.00 C ATOM 0 HA PRO A 6 -5.855 5.873 3.350 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.618 7.960 5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.104 8.178 3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.872 8.419 5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.354 7.802 4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.787 6.269 6.802 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.043 5.996 5.610 1.00 0.00 H new ATOM 83 N ALA A 7 -3.695 5.283 4.268 1.00 0.00 N ATOM 84 CA ALA A 7 -2.403 4.862 4.785 1.00 0.00 C ATOM 85 C ALA A 7 -1.278 5.592 4.084 1.00 0.00 C ATOM 86 O ALA A 7 -1.203 5.617 2.856 1.00 0.00 O ATOM 87 CB ALA A 7 -2.220 3.360 4.645 1.00 0.00 C ATOM 0 H ALA A 7 -3.781 5.235 3.253 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.374 5.114 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.245 3.074 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.002 2.845 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.281 3.083 3.593 1.00 0.00 H new ATOM 93 N TYR A 8 -0.403 6.176 4.874 1.00 0.00 N ATOM 94 CA TYR A 8 0.723 6.921 4.357 1.00 0.00 C ATOM 95 C TYR A 8 1.859 5.971 4.012 1.00 0.00 C ATOM 96 O TYR A 8 2.211 5.100 4.809 1.00 0.00 O ATOM 97 CB TYR A 8 1.173 7.954 5.392 1.00 0.00 C ATOM 98 CG TYR A 8 0.094 8.957 5.738 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.691 9.531 4.746 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.140 9.333 7.056 1.00 0.00 C ATOM 101 CE1 TYR A 8 -1.678 10.447 5.056 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.126 10.249 7.372 1.00 0.00 C ATOM 103 CZ TYR A 8 -1.891 10.803 6.369 1.00 0.00 C ATOM 104 OH TYR A 8 -2.873 11.714 6.679 1.00 0.00 O ATOM 0 H TYR A 8 -0.453 6.147 5.892 1.00 0.00 H new ATOM 0 HA TYR A 8 0.427 7.445 3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.485 7.438 6.300 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.045 8.485 5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.527 9.257 3.714 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.458 8.903 7.846 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.280 10.882 4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.296 10.529 8.401 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.894 11.855 7.649 1.00 0.00 H new ATOM 114 N VAL A 9 2.410 6.120 2.819 1.00 0.00 N ATOM 115 CA VAL A 9 3.505 5.268 2.389 1.00 0.00 C ATOM 116 C VAL A 9 4.782 5.639 3.124 1.00 0.00 C ATOM 117 O VAL A 9 5.245 6.782 3.062 1.00 0.00 O ATOM 118 CB VAL A 9 3.753 5.352 0.873 1.00 0.00 C ATOM 119 CG1 VAL A 9 4.933 4.482 0.482 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.522 4.930 0.095 1.00 0.00 C ATOM 0 H VAL A 9 2.119 6.819 2.135 1.00 0.00 H new ATOM 0 HA VAL A 9 3.218 4.244 2.627 1.00 0.00 H new ATOM 0 HB VAL A 9 3.977 6.390 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.096 4.552 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.826 4.822 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.726 3.446 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.726 4.999 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.265 3.902 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.689 5.585 0.349 1.00 0.00 H new ATOM 130 N LYS A 10 5.345 4.659 3.809 1.00 0.00 N ATOM 131 CA LYS A 10 6.522 4.881 4.635 1.00 0.00 C ATOM 132 C LYS A 10 7.800 4.867 3.810 1.00 0.00 C ATOM 133 O LYS A 10 8.682 5.688 4.023 1.00 0.00 O ATOM 134 CB LYS A 10 6.621 3.839 5.754 1.00 0.00 C ATOM 135 CG LYS A 10 5.598 4.030 6.864 1.00 0.00 C ATOM 136 CD LYS A 10 6.207 3.740 8.229 1.00 0.00 C ATOM 137 CE LYS A 10 6.479 2.261 8.440 1.00 0.00 C ATOM 138 NZ LYS A 10 5.240 1.501 8.760 1.00 0.00 N ATOM 0 H LYS A 10 5.005 3.697 3.810 1.00 0.00 H new ATOM 0 HA LYS A 10 6.410 5.869 5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.496 2.845 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.622 3.876 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.219 5.052 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.747 3.371 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.138 4.296 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.533 4.097 9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.936 1.846 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.198 2.138 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.490 0.626 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.621 2.082 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.742 1.262 7.879 1.00 0.00 H new ATOM 152 N PHE A 11 7.903 3.930 2.876 1.00 0.00 N ATOM 153 CA PHE A 11 9.098 3.805 2.045 1.00 0.00 C ATOM 154 C PHE A 11 8.685 3.611 0.595 1.00 0.00 C ATOM 155 O PHE A 11 7.636 3.028 0.328 1.00 0.00 O ATOM 156 CB PHE A 11 9.956 2.612 2.495 1.00 0.00 C ATOM 157 CG PHE A 11 10.260 2.584 3.968 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.233 3.407 4.504 1.00 0.00 C ATOM 159 CD2 PHE A 11 9.570 1.727 4.813 1.00 0.00 C ATOM 160 CE1 PHE A 11 11.512 3.380 5.855 1.00 0.00 C ATOM 161 CE2 PHE A 11 9.847 1.695 6.164 1.00 0.00 C ATOM 162 CZ PHE A 11 10.819 2.522 6.687 1.00 0.00 C ATOM 0 H PHE A 11 7.175 3.245 2.673 1.00 0.00 H new ATOM 0 HA PHE A 11 9.689 4.715 2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.443 1.689 2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.896 2.628 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.780 4.078 3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.808 1.078 4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.272 4.030 6.262 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.303 1.023 6.812 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.038 2.499 7.744 1.00 0.00 H new ATOM 172 N ASN A 12 9.496 4.098 -0.337 1.00 0.00 N ATOM 173 CA ASN A 12 9.179 3.948 -1.752 1.00 0.00 C ATOM 174 C ASN A 12 9.281 2.485 -2.161 1.00 0.00 C ATOM 175 O ASN A 12 10.273 1.810 -1.884 1.00 0.00 O ATOM 176 CB ASN A 12 10.075 4.835 -2.637 1.00 0.00 C ATOM 177 CG ASN A 12 11.555 4.509 -2.537 1.00 0.00 C ATOM 178 OD1 ASN A 12 12.259 5.039 -1.681 1.00 0.00 O ATOM 179 ND2 ASN A 12 12.044 3.663 -3.430 1.00 0.00 N ATOM 0 H ASN A 12 10.366 4.593 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 12 8.153 4.282 -1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.760 4.732 -3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.923 5.878 -2.360 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.037 3.431 -3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.428 3.243 -4.126 1.00 0.00 H new ATOM 186 N TYR A 13 8.242 2.004 -2.812 1.00 0.00 N ATOM 187 CA TYR A 13 8.137 0.600 -3.153 1.00 0.00 C ATOM 188 C TYR A 13 7.846 0.445 -4.638 1.00 0.00 C ATOM 189 O TYR A 13 6.761 0.783 -5.102 1.00 0.00 O ATOM 190 CB TYR A 13 7.031 -0.047 -2.318 1.00 0.00 C ATOM 191 CG TYR A 13 6.904 -1.542 -2.496 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.853 -2.400 -1.963 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.830 -2.095 -3.184 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.742 -3.767 -2.110 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.709 -3.465 -3.332 1.00 0.00 C ATOM 196 CZ TYR A 13 6.670 -4.294 -2.793 1.00 0.00 C ATOM 197 OH TYR A 13 6.553 -5.658 -2.924 1.00 0.00 O ATOM 0 H TYR A 13 7.451 2.571 -3.118 1.00 0.00 H new ATOM 0 HA TYR A 13 9.081 0.102 -2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.216 0.166 -1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.080 0.419 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.694 -1.991 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.079 -1.445 -3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.493 -4.421 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.868 -3.882 -3.866 1.00 0.00 H new ATOM 0 HH TYR A 13 6.445 -5.888 -3.871 1.00 0.00 H new ATOM 207 N MET A 14 8.818 -0.055 -5.378 1.00 0.00 N ATOM 208 CA MET A 14 8.674 -0.180 -6.820 1.00 0.00 C ATOM 209 C MET A 14 7.983 -1.487 -7.175 1.00 0.00 C ATOM 210 O MET A 14 8.445 -2.564 -6.803 1.00 0.00 O ATOM 211 CB MET A 14 10.040 -0.101 -7.507 1.00 0.00 C ATOM 212 CG MET A 14 10.826 1.150 -7.148 1.00 0.00 C ATOM 213 SD MET A 14 9.868 2.662 -7.379 1.00 0.00 S ATOM 214 CE MET A 14 11.054 3.904 -6.873 1.00 0.00 C ATOM 0 H MET A 14 9.712 -0.380 -5.009 1.00 0.00 H new ATOM 0 HA MET A 14 8.059 0.647 -7.174 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.626 -0.979 -7.236 1.00 0.00 H new ATOM 0 HB3 MET A 14 9.897 -0.134 -8.587 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.151 1.085 -6.109 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.726 1.197 -7.761 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.544 4.686 -6.310 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.817 3.444 -6.245 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.524 4.339 -7.755 1.00 0.00 H new ATOM 224 N ALA A 15 6.868 -1.379 -7.877 1.00 0.00 N ATOM 225 CA ALA A 15 6.106 -2.545 -8.291 1.00 0.00 C ATOM 226 C ALA A 15 6.740 -3.185 -9.521 1.00 0.00 C ATOM 227 O ALA A 15 6.793 -2.578 -10.593 1.00 0.00 O ATOM 228 CB ALA A 15 4.662 -2.154 -8.569 1.00 0.00 C ATOM 0 H ALA A 15 6.468 -0.489 -8.174 1.00 0.00 H new ATOM 0 HA ALA A 15 6.116 -3.278 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.100 -3.035 -8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.217 -1.739 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.634 -1.408 -9.363 1.00 0.00 H new ATOM 234 N GLU A 16 7.235 -4.402 -9.352 1.00 0.00 N ATOM 235 CA GLU A 16 7.884 -5.124 -10.437 1.00 0.00 C ATOM 236 C GLU A 16 6.974 -6.231 -10.961 1.00 0.00 C ATOM 237 O GLU A 16 7.074 -6.643 -12.117 1.00 0.00 O ATOM 238 CB GLU A 16 9.209 -5.713 -9.954 1.00 0.00 C ATOM 239 CG GLU A 16 10.243 -4.666 -9.573 1.00 0.00 C ATOM 240 CD GLU A 16 10.747 -3.888 -10.770 1.00 0.00 C ATOM 241 OE1 GLU A 16 11.463 -4.483 -11.605 1.00 0.00 O ATOM 242 OE2 GLU A 16 10.451 -2.681 -10.877 1.00 0.00 O ATOM 0 H GLU A 16 7.199 -4.913 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 16 8.083 -4.427 -11.251 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.019 -6.353 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.621 -6.348 -10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.807 -3.975 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.084 -5.153 -9.080 1.00 0.00 H new ATOM 249 N ARG A 17 6.097 -6.711 -10.095 1.00 0.00 N ATOM 250 CA ARG A 17 5.124 -7.723 -10.468 1.00 0.00 C ATOM 251 C ARG A 17 3.777 -7.090 -10.787 1.00 0.00 C ATOM 252 O ARG A 17 3.562 -5.897 -10.552 1.00 0.00 O ATOM 253 CB ARG A 17 4.980 -8.760 -9.355 1.00 0.00 C ATOM 254 CG ARG A 17 6.186 -9.677 -9.223 1.00 0.00 C ATOM 255 CD ARG A 17 6.090 -10.553 -7.987 1.00 0.00 C ATOM 256 NE ARG A 17 6.211 -9.764 -6.763 1.00 0.00 N ATOM 257 CZ ARG A 17 6.375 -10.288 -5.549 1.00 0.00 C ATOM 258 NH1 ARG A 17 6.396 -11.603 -5.388 1.00 0.00 N ATOM 259 NH2 ARG A 17 6.507 -9.494 -4.497 1.00 0.00 N ATOM 0 H ARG A 17 6.040 -6.413 -9.121 1.00 0.00 H new ATOM 0 HA ARG A 17 5.482 -8.226 -11.366 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.819 -8.245 -8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.093 -9.364 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.264 -10.306 -10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.096 -9.078 -9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.137 -11.082 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.875 -11.309 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 17 6.167 -8.748 -6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.286 -12.217 -6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.522 -12.001 -4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.483 -8.481 -4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.633 -9.895 -3.568 1.00 0.00 H new ATOM 273 N GLU A 18 2.878 -7.895 -11.325 1.00 0.00 N ATOM 274 CA GLU A 18 1.578 -7.421 -11.775 1.00 0.00 C ATOM 275 C GLU A 18 0.654 -7.130 -10.596 1.00 0.00 C ATOM 276 O GLU A 18 -0.244 -6.295 -10.685 1.00 0.00 O ATOM 277 CB GLU A 18 0.948 -8.465 -12.694 1.00 0.00 C ATOM 278 CG GLU A 18 1.841 -8.845 -13.863 1.00 0.00 C ATOM 279 CD GLU A 18 1.296 -10.010 -14.650 1.00 0.00 C ATOM 280 OE1 GLU A 18 0.396 -9.796 -15.487 1.00 0.00 O ATOM 281 OE2 GLU A 18 1.759 -11.148 -14.432 1.00 0.00 O ATOM 0 H GLU A 18 3.027 -8.895 -11.463 1.00 0.00 H new ATOM 0 HA GLU A 18 1.720 -6.489 -12.322 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.718 -9.359 -12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.002 -8.081 -13.076 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.955 -7.986 -14.524 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.835 -9.095 -13.491 1.00 0.00 H new ATOM 288 N ASP A 19 0.886 -7.824 -9.493 1.00 0.00 N ATOM 289 CA ASP A 19 0.021 -7.720 -8.322 1.00 0.00 C ATOM 290 C ASP A 19 0.545 -6.686 -7.331 1.00 0.00 C ATOM 291 O ASP A 19 -0.118 -6.374 -6.344 1.00 0.00 O ATOM 292 CB ASP A 19 -0.121 -9.088 -7.640 1.00 0.00 C ATOM 293 CG ASP A 19 1.205 -9.666 -7.170 1.00 0.00 C ATOM 294 OD1 ASP A 19 2.108 -9.861 -8.016 1.00 0.00 O ATOM 295 OD2 ASP A 19 1.336 -9.967 -5.967 1.00 0.00 O ATOM 0 H ASP A 19 1.669 -8.469 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.961 -7.389 -8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.791 -8.993 -6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.588 -9.786 -8.335 1.00 0.00 H new ATOM 300 N GLU A 20 1.715 -6.132 -7.611 1.00 0.00 N ATOM 301 CA GLU A 20 2.329 -5.163 -6.715 1.00 0.00 C ATOM 302 C GLU A 20 1.887 -3.742 -7.044 1.00 0.00 C ATOM 303 O GLU A 20 1.651 -3.401 -8.205 1.00 0.00 O ATOM 304 CB GLU A 20 3.850 -5.255 -6.775 1.00 0.00 C ATOM 305 CG GLU A 20 4.390 -6.554 -6.219 1.00 0.00 C ATOM 306 CD GLU A 20 5.896 -6.648 -6.315 1.00 0.00 C ATOM 307 OE1 GLU A 20 6.435 -6.524 -7.433 1.00 0.00 O ATOM 308 OE2 GLU A 20 6.548 -6.874 -5.275 1.00 0.00 O ATOM 0 H GLU A 20 2.258 -6.336 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 20 1.998 -5.402 -5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.174 -5.148 -7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.280 -4.422 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.090 -6.651 -5.176 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.943 -7.389 -6.758 1.00 0.00 H new ATOM 315 N LEU A 21 1.782 -2.923 -6.012 1.00 0.00 N ATOM 316 CA LEU A 21 1.411 -1.526 -6.164 1.00 0.00 C ATOM 317 C LEU A 21 2.641 -0.645 -5.942 1.00 0.00 C ATOM 318 O LEU A 21 3.360 -0.819 -4.959 1.00 0.00 O ATOM 319 CB LEU A 21 0.324 -1.182 -5.145 1.00 0.00 C ATOM 320 CG LEU A 21 -0.647 -0.067 -5.527 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.725 0.077 -4.465 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.066 1.262 -5.722 1.00 0.00 C ATOM 0 H LEU A 21 1.951 -3.206 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 21 1.028 -1.350 -7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.255 -2.084 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.810 -0.904 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.105 -0.343 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.411 0.875 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.275 -0.860 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.263 0.319 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.660 2.028 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.565 1.546 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.805 1.165 -6.517 1.00 0.00 H new ATOM 334 N SER A 22 2.889 0.281 -6.858 1.00 0.00 N ATOM 335 CA SER A 22 4.013 1.199 -6.728 1.00 0.00 C ATOM 336 C SER A 22 3.733 2.251 -5.654 1.00 0.00 C ATOM 337 O SER A 22 2.841 3.086 -5.804 1.00 0.00 O ATOM 338 CB SER A 22 4.291 1.868 -8.074 1.00 0.00 C ATOM 339 OG SER A 22 3.105 2.426 -8.612 1.00 0.00 O ATOM 0 H SER A 22 2.328 0.417 -7.699 1.00 0.00 H new ATOM 0 HA SER A 22 4.894 0.634 -6.423 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.042 2.648 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.703 1.138 -8.770 1.00 0.00 H new ATOM 0 HG SER A 22 2.562 2.801 -7.888 1.00 0.00 H new ATOM 345 N LEU A 23 4.500 2.201 -4.576 1.00 0.00 N ATOM 346 CA LEU A 23 4.304 3.111 -3.460 1.00 0.00 C ATOM 347 C LEU A 23 5.401 4.169 -3.427 1.00 0.00 C ATOM 348 O LEU A 23 6.536 3.913 -3.825 1.00 0.00 O ATOM 349 CB LEU A 23 4.280 2.344 -2.140 1.00 0.00 C ATOM 350 CG LEU A 23 3.207 1.255 -2.027 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.258 0.607 -0.650 1.00 0.00 C ATOM 352 CD2 LEU A 23 1.827 1.836 -2.295 1.00 0.00 C ATOM 0 H LEU A 23 5.265 1.538 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 23 3.344 3.608 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.257 1.884 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.135 3.057 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 23 3.406 0.490 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.491 -0.165 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.239 0.158 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.080 1.363 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.078 1.049 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.614 2.619 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.799 2.257 -3.300 1.00 0.00 H new ATOM 364 N ILE A 24 5.055 5.353 -2.945 1.00 0.00 N ATOM 365 CA ILE A 24 5.990 6.465 -2.875 1.00 0.00 C ATOM 366 C ILE A 24 6.019 7.036 -1.471 1.00 0.00 C ATOM 367 O ILE A 24 4.984 7.458 -0.955 1.00 0.00 O ATOM 368 CB ILE A 24 5.588 7.595 -3.848 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.592 7.093 -5.292 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.505 8.804 -3.683 1.00 0.00 C ATOM 371 CD1 ILE A 24 6.950 6.640 -5.787 1.00 0.00 C ATOM 0 H ILE A 24 4.122 5.569 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 24 6.973 6.083 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 24 4.573 7.910 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.891 6.263 -5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.227 7.888 -5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.203 9.587 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.434 9.178 -2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.534 8.511 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.866 6.299 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.652 7.472 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.310 5.822 -5.163 1.00 0.00 H new ATOM 383 N LYS A 25 7.187 7.032 -0.841 1.00 0.00 N ATOM 384 CA LYS A 25 7.327 7.672 0.462 1.00 0.00 C ATOM 385 C LYS A 25 6.837 9.110 0.367 1.00 0.00 C ATOM 386 O LYS A 25 7.353 9.896 -0.427 1.00 0.00 O ATOM 387 CB LYS A 25 8.786 7.649 0.940 1.00 0.00 C ATOM 388 CG LYS A 25 9.002 8.413 2.240 1.00 0.00 C ATOM 389 CD LYS A 25 10.473 8.512 2.621 1.00 0.00 C ATOM 390 CE LYS A 25 11.033 7.187 3.116 1.00 0.00 C ATOM 391 NZ LYS A 25 12.397 7.341 3.686 1.00 0.00 N ATOM 0 H LYS A 25 8.038 6.601 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 25 6.728 7.120 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.101 6.614 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.423 8.076 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.587 9.416 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.455 7.919 3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.048 8.847 1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.595 9.268 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.368 6.772 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.062 6.474 2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.743 6.416 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.038 7.713 2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.365 8.001 4.489 1.00 0.00 H new ATOM 405 N GLY A 26 5.840 9.446 1.165 1.00 0.00 N ATOM 406 CA GLY A 26 5.266 10.771 1.100 1.00 0.00 C ATOM 407 C GLY A 26 3.832 10.767 0.602 1.00 0.00 C ATOM 408 O GLY A 26 3.085 11.713 0.854 1.00 0.00 O ATOM 0 H GLY A 26 5.417 8.826 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.301 11.226 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.873 11.393 0.442 1.00 0.00 H new ATOM 412 N THR A 27 3.438 9.707 -0.097 1.00 0.00 N ATOM 413 CA THR A 27 2.085 9.624 -0.631 1.00 0.00 C ATOM 414 C THR A 27 1.175 8.827 0.301 1.00 0.00 C ATOM 415 O THR A 27 1.610 8.362 1.358 1.00 0.00 O ATOM 416 CB THR A 27 2.059 8.990 -2.038 1.00 0.00 C ATOM 417 OG1 THR A 27 2.638 7.679 -2.011 1.00 0.00 O ATOM 418 CG2 THR A 27 2.803 9.862 -3.034 1.00 0.00 C ATOM 0 H THR A 27 4.030 8.902 -0.305 1.00 0.00 H new ATOM 0 HA THR A 27 1.716 10.647 -0.707 1.00 0.00 H new ATOM 0 HB THR A 27 1.018 8.910 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.573 7.740 -1.725 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.772 9.397 -4.019 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.331 10.844 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.840 9.973 -2.717 1.00 0.00 H new ATOM 426 N LYS A 28 -0.082 8.677 -0.093 1.00 0.00 N ATOM 427 CA LYS A 28 -1.065 7.971 0.708 1.00 0.00 C ATOM 428 C LYS A 28 -1.890 7.037 -0.168 1.00 0.00 C ATOM 429 O LYS A 28 -2.302 7.402 -1.273 1.00 0.00 O ATOM 430 CB LYS A 28 -1.972 8.984 1.402 1.00 0.00 C ATOM 431 CG LYS A 28 -3.133 8.364 2.158 1.00 0.00 C ATOM 432 CD LYS A 28 -4.455 8.990 1.739 1.00 0.00 C ATOM 433 CE LYS A 28 -4.481 10.483 2.028 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.663 11.150 1.421 1.00 0.00 N ATOM 0 H LYS A 28 -0.445 9.041 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.552 7.371 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.374 9.574 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.366 9.674 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.160 7.290 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.987 8.498 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.617 8.822 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.274 8.502 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.489 10.643 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.570 10.942 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.640 12.166 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.643 11.020 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.534 10.731 1.806 1.00 0.00 H new ATOM 448 N VAL A 29 -2.125 5.830 0.324 1.00 0.00 N ATOM 449 CA VAL A 29 -2.937 4.866 -0.392 1.00 0.00 C ATOM 450 C VAL A 29 -4.209 4.578 0.397 1.00 0.00 C ATOM 451 O VAL A 29 -4.269 4.813 1.607 1.00 0.00 O ATOM 452 CB VAL A 29 -2.171 3.543 -0.665 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.769 3.837 -1.182 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.104 2.670 0.578 1.00 0.00 C ATOM 0 H VAL A 29 -1.763 5.497 1.218 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.190 5.301 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.721 2.993 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.246 2.899 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.835 4.406 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.221 4.417 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.561 1.753 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.589 3.208 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.114 2.422 0.903 1.00 0.00 H new ATOM 464 N ILE A 30 -5.222 4.089 -0.291 1.00 0.00 N ATOM 465 CA ILE A 30 -6.493 3.768 0.331 1.00 0.00 C ATOM 466 C ILE A 30 -6.563 2.278 0.647 1.00 0.00 C ATOM 467 O ILE A 30 -6.813 1.455 -0.238 1.00 0.00 O ATOM 468 CB ILE A 30 -7.674 4.144 -0.589 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.593 5.621 -0.989 1.00 0.00 C ATOM 470 CG2 ILE A 30 -9.004 3.838 0.093 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.800 6.577 0.165 1.00 0.00 C ATOM 0 H ILE A 30 -5.188 3.903 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.566 4.346 1.252 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.612 3.542 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.619 5.813 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.342 5.822 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.824 4.110 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.059 2.774 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.080 4.412 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.729 7.603 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.786 6.413 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.035 6.404 0.922 1.00 0.00 H new ATOM 483 N VAL A 31 -6.322 1.928 1.899 1.00 0.00 N ATOM 484 CA VAL A 31 -6.358 0.539 2.322 1.00 0.00 C ATOM 485 C VAL A 31 -7.801 0.081 2.464 1.00 0.00 C ATOM 486 O VAL A 31 -8.471 0.372 3.455 1.00 0.00 O ATOM 487 CB VAL A 31 -5.609 0.322 3.649 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.579 -1.153 4.014 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.205 0.889 3.559 1.00 0.00 C ATOM 0 H VAL A 31 -6.099 2.590 2.643 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.854 -0.053 1.558 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.141 0.851 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.045 -1.284 4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.599 -1.522 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.071 -1.712 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.687 0.729 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.661 0.389 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.257 1.958 3.350 1.00 0.00 H new ATOM 499 N MET A 32 -8.280 -0.608 1.447 1.00 0.00 N ATOM 500 CA MET A 32 -9.659 -1.043 1.404 1.00 0.00 C ATOM 501 C MET A 32 -9.856 -2.310 2.221 1.00 0.00 C ATOM 502 O MET A 32 -10.848 -2.449 2.939 1.00 0.00 O ATOM 503 CB MET A 32 -10.078 -1.278 -0.040 1.00 0.00 C ATOM 504 CG MET A 32 -10.073 -0.009 -0.874 1.00 0.00 C ATOM 505 SD MET A 32 -10.032 -0.344 -2.640 1.00 0.00 S ATOM 506 CE MET A 32 -8.553 -1.344 -2.733 1.00 0.00 C ATOM 0 H MET A 32 -7.728 -0.880 0.634 1.00 0.00 H new ATOM 0 HA MET A 32 -10.283 -0.262 1.838 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.406 -2.007 -0.493 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.077 -1.713 -0.056 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.960 0.579 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.208 0.597 -0.602 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.943 -1.014 -3.574 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.984 -1.239 -1.809 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.829 -2.389 -2.872 1.00 0.00 H new ATOM 516 N GLU A 33 -8.894 -3.218 2.117 1.00 0.00 N ATOM 517 CA GLU A 33 -8.986 -4.513 2.766 1.00 0.00 C ATOM 518 C GLU A 33 -7.620 -4.959 3.273 1.00 0.00 C ATOM 519 O GLU A 33 -6.608 -4.812 2.582 1.00 0.00 O ATOM 520 CB GLU A 33 -9.539 -5.543 1.778 1.00 0.00 C ATOM 521 CG GLU A 33 -9.676 -6.941 2.352 1.00 0.00 C ATOM 522 CD GLU A 33 -10.053 -7.952 1.295 1.00 0.00 C ATOM 523 OE1 GLU A 33 -9.149 -8.445 0.594 1.00 0.00 O ATOM 524 OE2 GLU A 33 -11.255 -8.246 1.142 1.00 0.00 O ATOM 0 H GLU A 33 -8.036 -3.076 1.584 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.659 -4.431 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.516 -5.208 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.885 -5.582 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.735 -7.236 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.432 -6.938 3.137 1.00 0.00 H new ATOM 531 N LYS A 34 -7.596 -5.484 4.488 1.00 0.00 N ATOM 532 CA LYS A 34 -6.378 -6.028 5.066 1.00 0.00 C ATOM 533 C LYS A 34 -6.614 -7.491 5.427 1.00 0.00 C ATOM 534 O LYS A 34 -7.340 -7.795 6.373 1.00 0.00 O ATOM 535 CB LYS A 34 -5.943 -5.207 6.288 1.00 0.00 C ATOM 536 CG LYS A 34 -5.791 -3.724 5.978 1.00 0.00 C ATOM 537 CD LYS A 34 -5.035 -2.964 7.059 1.00 0.00 C ATOM 538 CE LYS A 34 -5.705 -3.067 8.404 1.00 0.00 C ATOM 539 NZ LYS A 34 -4.945 -2.351 9.468 1.00 0.00 N ATOM 0 H LYS A 34 -8.413 -5.545 5.096 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.567 -5.971 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.676 -5.334 7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.995 -5.594 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.269 -3.609 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.779 -3.281 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.019 -3.353 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.955 -1.915 6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.712 -2.655 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.808 -4.117 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.527 -2.288 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.070 -2.872 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.707 -1.393 9.140 1.00 0.00 H new ATOM 553 N CYS A 35 -6.013 -8.385 4.652 1.00 0.00 N ATOM 554 CA CYS A 35 -6.319 -9.806 4.741 1.00 0.00 C ATOM 555 C CYS A 35 -5.584 -10.474 5.902 1.00 0.00 C ATOM 556 O CYS A 35 -4.986 -9.807 6.748 1.00 0.00 O ATOM 557 CB CYS A 35 -5.958 -10.502 3.425 1.00 0.00 C ATOM 558 SG CYS A 35 -4.187 -10.534 3.068 1.00 0.00 S ATOM 0 H CYS A 35 -5.309 -8.149 3.953 1.00 0.00 H new ATOM 0 HA CYS A 35 -7.389 -9.903 4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.330 -11.526 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.473 -9.999 2.607 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.812 -9.369 2.629 1.00 0.00 H new ATOM 564 N SER A 36 -5.634 -11.800 5.924 1.00 0.00 N ATOM 565 CA SER A 36 -5.014 -12.594 6.976 1.00 0.00 C ATOM 566 C SER A 36 -3.509 -12.772 6.748 1.00 0.00 C ATOM 567 O SER A 36 -2.827 -13.455 7.518 1.00 0.00 O ATOM 568 CB SER A 36 -5.710 -13.951 7.051 1.00 0.00 C ATOM 569 OG SER A 36 -5.917 -14.490 5.753 1.00 0.00 O ATOM 0 H SER A 36 -6.107 -12.356 5.211 1.00 0.00 H new ATOM 0 HA SER A 36 -5.130 -12.065 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.108 -14.640 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.667 -13.845 7.561 1.00 0.00 H new ATOM 0 HG SER A 36 -6.362 -15.360 5.827 1.00 0.00 H new ATOM 575 N ASP A 37 -3.000 -12.171 5.681 1.00 0.00 N ATOM 576 CA ASP A 37 -1.576 -12.225 5.375 1.00 0.00 C ATOM 577 C ASP A 37 -0.953 -10.843 5.594 1.00 0.00 C ATOM 578 O ASP A 37 -1.566 -9.979 6.226 1.00 0.00 O ATOM 579 CB ASP A 37 -1.361 -12.713 3.937 1.00 0.00 C ATOM 580 CG ASP A 37 0.054 -13.205 3.686 1.00 0.00 C ATOM 581 OD1 ASP A 37 0.334 -14.388 3.971 1.00 0.00 O ATOM 582 OD2 ASP A 37 0.892 -12.414 3.204 1.00 0.00 O ATOM 0 H ASP A 37 -3.554 -11.638 5.010 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.085 -12.934 6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.064 -13.518 3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.586 -11.901 3.245 1.00 0.00 H new ATOM 587 N GLY A 38 0.254 -10.640 5.086 1.00 0.00 N ATOM 588 CA GLY A 38 0.927 -9.367 5.245 1.00 0.00 C ATOM 589 C GLY A 38 0.743 -8.477 4.035 1.00 0.00 C ATOM 590 O GLY A 38 1.133 -7.307 4.046 1.00 0.00 O ATOM 0 H GLY A 38 0.782 -11.339 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.542 -8.861 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.991 -9.537 5.412 1.00 0.00 H new ATOM 594 N TRP A 39 0.159 -9.042 2.986 1.00 0.00 N ATOM 595 CA TRP A 39 -0.147 -8.289 1.782 1.00 0.00 C ATOM 596 C TRP A 39 -1.525 -7.656 1.892 1.00 0.00 C ATOM 597 O TRP A 39 -2.540 -8.351 1.965 1.00 0.00 O ATOM 598 CB TRP A 39 -0.083 -9.186 0.542 1.00 0.00 C ATOM 599 CG TRP A 39 1.308 -9.596 0.168 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.986 -10.696 0.606 1.00 0.00 C ATOM 601 CD2 TRP A 39 2.191 -8.914 -0.731 1.00 0.00 C ATOM 602 NE1 TRP A 39 3.237 -10.738 0.039 1.00 0.00 N ATOM 603 CE2 TRP A 39 3.386 -9.657 -0.785 1.00 0.00 C ATOM 604 CE3 TRP A 39 2.087 -7.749 -1.498 1.00 0.00 C ATOM 605 CZ2 TRP A 39 4.469 -9.270 -1.570 1.00 0.00 C ATOM 606 CZ3 TRP A 39 3.164 -7.366 -2.277 1.00 0.00 C ATOM 607 CH2 TRP A 39 4.339 -8.127 -2.311 1.00 0.00 C ATOM 0 H TRP A 39 -0.112 -10.024 2.947 1.00 0.00 H new ATOM 0 HA TRP A 39 0.601 -7.503 1.677 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -0.681 -10.080 0.720 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.536 -8.661 -0.299 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.596 -11.428 1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.940 -11.458 0.206 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.182 -7.159 -1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.379 -9.851 -1.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.098 -6.465 -2.869 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.160 -7.805 -2.935 1.00 0.00 H new ATOM 618 N TRP A 40 -1.556 -6.339 1.918 1.00 0.00 N ATOM 619 CA TRP A 40 -2.807 -5.613 2.012 1.00 0.00 C ATOM 620 C TRP A 40 -3.248 -5.150 0.633 1.00 0.00 C ATOM 621 O TRP A 40 -2.415 -4.911 -0.243 1.00 0.00 O ATOM 622 CB TRP A 40 -2.669 -4.416 2.953 1.00 0.00 C ATOM 623 CG TRP A 40 -2.541 -4.795 4.400 1.00 0.00 C ATOM 624 CD1 TRP A 40 -2.742 -6.028 4.954 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.211 -3.921 5.483 1.00 0.00 C ATOM 626 NE1 TRP A 40 -2.548 -5.974 6.310 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.225 -4.694 6.659 1.00 0.00 C ATOM 628 CE3 TRP A 40 -1.902 -2.561 5.574 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -1.948 -4.153 7.908 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -1.631 -2.024 6.818 1.00 0.00 C ATOM 631 CH2 TRP A 40 -1.655 -2.822 7.968 1.00 0.00 C ATOM 0 H TRP A 40 -0.726 -5.748 1.875 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.564 -6.283 2.419 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.795 -3.835 2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.537 -3.768 2.832 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.014 -6.916 4.403 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.631 -6.761 6.953 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.876 -1.942 4.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.964 -4.764 8.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.397 -0.973 6.904 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.436 -2.373 8.926 1.00 0.00 H new ATOM 642 N ARG A 41 -4.551 -5.031 0.441 1.00 0.00 N ATOM 643 CA ARG A 41 -5.083 -4.630 -0.848 1.00 0.00 C ATOM 644 C ARG A 41 -5.589 -3.197 -0.776 1.00 0.00 C ATOM 645 O ARG A 41 -6.634 -2.920 -0.178 1.00 0.00 O ATOM 646 CB ARG A 41 -6.197 -5.583 -1.292 1.00 0.00 C ATOM 647 CG ARG A 41 -6.542 -5.454 -2.763 1.00 0.00 C ATOM 648 CD ARG A 41 -7.487 -6.554 -3.224 1.00 0.00 C ATOM 649 NE ARG A 41 -8.821 -6.427 -2.640 1.00 0.00 N ATOM 650 CZ ARG A 41 -9.874 -5.959 -3.308 1.00 0.00 C ATOM 651 NH1 ARG A 41 -9.738 -5.569 -4.571 1.00 0.00 N ATOM 652 NH2 ARG A 41 -11.058 -5.894 -2.719 1.00 0.00 N ATOM 0 H ARG A 41 -5.256 -5.205 1.158 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.286 -4.680 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.892 -6.609 -1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.090 -5.390 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.001 -4.482 -2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.627 -5.490 -3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.566 -6.529 -4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.068 -7.524 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.952 -6.712 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.828 -5.628 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.544 -5.210 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.164 -6.202 -1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.864 -5.535 -3.232 1.00 0.00 H new ATOM 666 N GLY A 42 -4.835 -2.289 -1.373 1.00 0.00 N ATOM 667 CA GLY A 42 -5.177 -0.888 -1.300 1.00 0.00 C ATOM 668 C GLY A 42 -5.196 -0.231 -2.660 1.00 0.00 C ATOM 669 O GLY A 42 -4.808 -0.838 -3.659 1.00 0.00 O ATOM 0 H GLY A 42 -3.992 -2.499 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.156 -0.779 -0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.459 -0.374 -0.661 1.00 0.00 H new ATOM 673 N SER A 43 -5.655 1.003 -2.702 1.00 0.00 N ATOM 674 CA SER A 43 -5.749 1.739 -3.946 1.00 0.00 C ATOM 675 C SER A 43 -4.969 3.049 -3.864 1.00 0.00 C ATOM 676 O SER A 43 -5.141 3.827 -2.931 1.00 0.00 O ATOM 677 CB SER A 43 -7.223 1.989 -4.275 1.00 0.00 C ATOM 678 OG SER A 43 -7.921 2.521 -3.160 1.00 0.00 O ATOM 0 H SER A 43 -5.971 1.521 -1.882 1.00 0.00 H new ATOM 0 HA SER A 43 -5.304 1.149 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.297 2.679 -5.115 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.691 1.055 -4.587 1.00 0.00 H new ATOM 0 HG SER A 43 -8.581 1.868 -2.845 1.00 0.00 H new ATOM 684 N TYR A 44 -4.099 3.276 -4.832 1.00 0.00 N ATOM 685 CA TYR A 44 -3.319 4.503 -4.893 1.00 0.00 C ATOM 686 C TYR A 44 -3.840 5.362 -6.036 1.00 0.00 C ATOM 687 O TYR A 44 -4.352 4.827 -7.013 1.00 0.00 O ATOM 688 CB TYR A 44 -1.827 4.182 -5.077 1.00 0.00 C ATOM 689 CG TYR A 44 -0.959 5.388 -5.373 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.614 6.289 -4.373 1.00 0.00 C ATOM 691 CD2 TYR A 44 -0.489 5.625 -6.661 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.171 7.393 -4.647 1.00 0.00 C ATOM 693 CE2 TYR A 44 0.296 6.725 -6.944 1.00 0.00 C ATOM 694 CZ TYR A 44 0.625 7.606 -5.935 1.00 0.00 C ATOM 695 OH TYR A 44 1.403 8.710 -6.217 1.00 0.00 O ATOM 0 H TYR A 44 -3.913 2.622 -5.593 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.423 5.053 -3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.458 3.697 -4.173 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.720 3.464 -5.890 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.965 6.124 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.743 4.936 -7.453 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.428 8.085 -3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.651 6.895 -7.950 1.00 0.00 H new ATOM 0 HH TYR A 44 1.639 8.710 -7.168 1.00 0.00 H new ATOM 705 N ASN A 45 -3.756 6.679 -5.885 1.00 0.00 N ATOM 706 CA ASN A 45 -4.208 7.620 -6.913 1.00 0.00 C ATOM 707 C ASN A 45 -3.681 7.231 -8.294 1.00 0.00 C ATOM 708 O ASN A 45 -2.545 7.548 -8.645 1.00 0.00 O ATOM 709 CB ASN A 45 -3.737 9.035 -6.569 1.00 0.00 C ATOM 710 CG ASN A 45 -4.390 9.589 -5.317 1.00 0.00 C ATOM 711 OD1 ASN A 45 -5.555 9.315 -5.038 1.00 0.00 O ATOM 712 ND2 ASN A 45 -3.643 10.364 -4.543 1.00 0.00 N ATOM 0 H ASN A 45 -3.375 7.127 -5.052 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.297 7.589 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.655 9.030 -6.436 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.952 9.697 -7.408 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.032 10.754 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.679 10.570 -4.806 1.00 0.00 H new ATOM 719 N GLY A 46 -4.500 6.513 -9.057 1.00 0.00 N ATOM 720 CA GLY A 46 -4.107 6.094 -10.385 1.00 0.00 C ATOM 721 C GLY A 46 -4.314 4.607 -10.622 1.00 0.00 C ATOM 722 O GLY A 46 -4.886 4.214 -11.639 1.00 0.00 O ATOM 0 H GLY A 46 -5.433 6.214 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.679 6.657 -11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.056 6.339 -10.542 1.00 0.00 H new ATOM 726 N GLN A 47 -3.872 3.773 -9.681 1.00 0.00 N ATOM 727 CA GLN A 47 -3.923 2.319 -9.860 1.00 0.00 C ATOM 728 C GLN A 47 -4.280 1.612 -8.552 1.00 0.00 C ATOM 729 O GLN A 47 -4.474 2.250 -7.521 1.00 0.00 O ATOM 730 CB GLN A 47 -2.579 1.794 -10.378 1.00 0.00 C ATOM 731 CG GLN A 47 -2.211 2.293 -11.769 1.00 0.00 C ATOM 732 CD GLN A 47 -0.895 1.725 -12.267 1.00 0.00 C ATOM 733 OE1 GLN A 47 -0.002 1.416 -11.483 1.00 0.00 O ATOM 734 NE2 GLN A 47 -0.771 1.578 -13.579 1.00 0.00 N ATOM 0 H GLN A 47 -3.476 4.075 -8.791 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.700 2.104 -10.593 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.794 2.085 -9.680 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.607 0.704 -10.390 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.004 2.027 -12.467 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.150 3.381 -11.756 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.537 1.847 -14.197 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.090 1.196 -13.970 1.00 0.00 H new ATOM 743 N VAL A 48 -4.362 0.292 -8.598 1.00 0.00 N ATOM 744 CA VAL A 48 -4.728 -0.493 -7.433 1.00 0.00 C ATOM 745 C VAL A 48 -3.851 -1.743 -7.355 1.00 0.00 C ATOM 746 O VAL A 48 -3.185 -2.088 -8.331 1.00 0.00 O ATOM 747 CB VAL A 48 -6.217 -0.902 -7.505 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.394 -2.188 -8.301 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.813 -1.023 -6.115 1.00 0.00 C ATOM 0 H VAL A 48 -4.178 -0.260 -9.436 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.574 0.113 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.759 -0.115 -8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.451 -2.452 -8.335 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.023 -2.042 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.835 -2.992 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.861 -1.312 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.269 -1.780 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.738 -0.064 -5.602 1.00 0.00 H new ATOM 759 N GLY A 49 -3.838 -2.416 -6.208 1.00 0.00 N ATOM 760 CA GLY A 49 -3.129 -3.675 -6.119 1.00 0.00 C ATOM 761 C GLY A 49 -2.729 -4.038 -4.700 1.00 0.00 C ATOM 762 O GLY A 49 -3.289 -3.508 -3.737 1.00 0.00 O ATOM 0 H GLY A 49 -4.300 -2.115 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.757 -4.467 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.235 -3.626 -6.740 1.00 0.00 H new ATOM 766 N TRP A 50 -1.769 -4.948 -4.573 1.00 0.00 N ATOM 767 CA TRP A 50 -1.319 -5.419 -3.268 1.00 0.00 C ATOM 768 C TRP A 50 -0.046 -4.702 -2.841 1.00 0.00 C ATOM 769 O TRP A 50 0.749 -4.265 -3.675 1.00 0.00 O ATOM 770 CB TRP A 50 -1.044 -6.928 -3.291 1.00 0.00 C ATOM 771 CG TRP A 50 -2.211 -7.767 -3.721 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.489 -8.195 -4.987 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.244 -8.297 -2.882 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.631 -8.958 -4.987 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.116 -9.033 -3.707 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.519 -8.219 -1.514 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.240 -9.688 -3.207 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.635 -8.867 -1.020 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.484 -9.593 -1.864 1.00 0.00 C ATOM 0 H TRP A 50 -1.285 -5.376 -5.362 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.117 -5.205 -2.558 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.207 -7.122 -3.962 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.734 -7.243 -2.295 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.897 -7.967 -5.861 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.050 -9.398 -5.806 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.870 -7.662 -0.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -5.895 -10.250 -3.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.856 -8.812 0.036 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.349 -10.088 -1.447 1.00 0.00 H new ATOM 790 N PHE A 51 0.143 -4.592 -1.537 1.00 0.00 N ATOM 791 CA PHE A 51 1.359 -4.018 -0.992 1.00 0.00 C ATOM 792 C PHE A 51 1.638 -4.610 0.386 1.00 0.00 C ATOM 793 O PHE A 51 0.712 -5.007 1.095 1.00 0.00 O ATOM 794 CB PHE A 51 1.251 -2.487 -0.910 1.00 0.00 C ATOM 795 CG PHE A 51 0.196 -1.999 0.040 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.481 -1.852 1.385 1.00 0.00 C ATOM 797 CD2 PHE A 51 -1.080 -1.691 -0.405 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.481 -1.417 2.267 1.00 0.00 C ATOM 799 CE2 PHE A 51 -2.047 -1.251 0.477 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.747 -1.116 1.814 1.00 0.00 C ATOM 0 H PHE A 51 -0.533 -4.894 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 51 2.188 -4.261 -1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.216 -2.081 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.040 -2.094 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.472 -2.082 1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.320 -1.796 -1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.244 -1.311 3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.038 -1.013 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.502 -0.775 2.506 1.00 0.00 H new ATOM 810 N PRO A 52 2.913 -4.709 0.774 1.00 0.00 N ATOM 811 CA PRO A 52 3.295 -5.208 2.091 1.00 0.00 C ATOM 812 C PRO A 52 3.032 -4.180 3.190 1.00 0.00 C ATOM 813 O PRO A 52 3.306 -2.989 3.017 1.00 0.00 O ATOM 814 CB PRO A 52 4.804 -5.476 1.964 1.00 0.00 C ATOM 815 CG PRO A 52 5.130 -5.293 0.515 1.00 0.00 C ATOM 816 CD PRO A 52 4.087 -4.367 -0.034 1.00 0.00 C ATOM 0 HA PRO A 52 2.720 -6.091 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.377 -4.787 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.051 -6.484 2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.128 -4.873 0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.118 -6.248 -0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.370 -3.321 0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.913 -4.535 -1.097 1.00 0.00 H new ATOM 824 N SER A 53 2.515 -4.651 4.321 1.00 0.00 N ATOM 825 CA SER A 53 2.217 -3.796 5.470 1.00 0.00 C ATOM 826 C SER A 53 3.462 -3.055 5.968 1.00 0.00 C ATOM 827 O SER A 53 3.361 -2.030 6.645 1.00 0.00 O ATOM 828 CB SER A 53 1.626 -4.644 6.588 1.00 0.00 C ATOM 829 OG SER A 53 1.527 -3.926 7.808 1.00 0.00 O ATOM 0 H SER A 53 2.290 -5.635 4.469 1.00 0.00 H new ATOM 0 HA SER A 53 1.496 -3.041 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.637 -4.994 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.245 -5.528 6.738 1.00 0.00 H new ATOM 0 HG SER A 53 0.602 -3.632 7.940 1.00 0.00 H new ATOM 835 N ASN A 54 4.629 -3.579 5.618 1.00 0.00 N ATOM 836 CA ASN A 54 5.906 -3.018 6.048 1.00 0.00 C ATOM 837 C ASN A 54 6.090 -1.581 5.562 1.00 0.00 C ATOM 838 O ASN A 54 6.754 -0.778 6.214 1.00 0.00 O ATOM 839 CB ASN A 54 7.066 -3.875 5.519 1.00 0.00 C ATOM 840 CG ASN A 54 7.056 -5.308 6.032 1.00 0.00 C ATOM 841 OD1 ASN A 54 6.007 -5.868 6.360 1.00 0.00 O ATOM 842 ND2 ASN A 54 8.227 -5.923 6.076 1.00 0.00 N ATOM 0 H ASN A 54 4.719 -4.406 5.027 1.00 0.00 H new ATOM 0 HA ASN A 54 5.905 -3.016 7.138 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.028 -3.889 4.430 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.009 -3.406 5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.283 -6.892 6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.074 -5.428 5.797 1.00 0.00 H new ATOM 849 N TYR A 55 5.488 -1.253 4.425 1.00 0.00 N ATOM 850 CA TYR A 55 5.774 0.012 3.759 1.00 0.00 C ATOM 851 C TYR A 55 4.657 1.037 3.934 1.00 0.00 C ATOM 852 O TYR A 55 4.672 2.077 3.278 1.00 0.00 O ATOM 853 CB TYR A 55 6.023 -0.227 2.269 1.00 0.00 C ATOM 854 CG TYR A 55 7.229 -1.094 1.990 1.00 0.00 C ATOM 855 CD1 TYR A 55 8.501 -0.545 1.939 1.00 0.00 C ATOM 856 CD2 TYR A 55 7.094 -2.460 1.779 1.00 0.00 C ATOM 857 CE1 TYR A 55 9.608 -1.330 1.688 1.00 0.00 C ATOM 858 CE2 TYR A 55 8.198 -3.254 1.527 1.00 0.00 C ATOM 859 CZ TYR A 55 9.452 -2.683 1.482 1.00 0.00 C ATOM 860 OH TYR A 55 10.555 -3.467 1.230 1.00 0.00 O ATOM 0 H TYR A 55 4.804 -1.840 3.948 1.00 0.00 H new ATOM 0 HA TYR A 55 6.667 0.423 4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.141 -0.694 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.154 0.734 1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.628 0.516 2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.112 -2.909 1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 55 10.592 -0.886 1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.078 -4.315 1.366 1.00 0.00 H new ATOM 0 HH TYR A 55 10.274 -4.398 1.109 1.00 0.00 H new ATOM 870 N VAL A 56 3.701 0.773 4.816 1.00 0.00 N ATOM 871 CA VAL A 56 2.597 1.712 5.007 1.00 0.00 C ATOM 872 C VAL A 56 2.368 2.053 6.472 1.00 0.00 C ATOM 873 O VAL A 56 2.916 1.411 7.369 1.00 0.00 O ATOM 874 CB VAL A 56 1.277 1.200 4.428 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.367 1.106 2.916 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.911 -0.134 5.054 1.00 0.00 C ATOM 0 H VAL A 56 3.664 -0.063 5.399 1.00 0.00 H new ATOM 0 HA VAL A 56 2.904 2.608 4.467 1.00 0.00 H new ATOM 0 HB VAL A 56 0.482 1.907 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.421 0.740 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.578 2.092 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.167 0.418 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.030 -0.487 4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.696 -0.861 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.804 -0.013 6.132 1.00 0.00 H new ATOM 886 N THR A 57 1.566 3.081 6.681 1.00 0.00 N ATOM 887 CA THR A 57 1.170 3.527 8.002 1.00 0.00 C ATOM 888 C THR A 57 -0.185 4.241 7.922 1.00 0.00 C ATOM 889 O THR A 57 -0.277 5.338 7.374 1.00 0.00 O ATOM 890 CB THR A 57 2.255 4.459 8.602 1.00 0.00 C ATOM 891 OG1 THR A 57 3.268 3.681 9.256 1.00 0.00 O ATOM 892 CG2 THR A 57 1.674 5.471 9.576 1.00 0.00 C ATOM 0 H THR A 57 1.166 3.637 5.925 1.00 0.00 H new ATOM 0 HA THR A 57 1.068 2.663 8.659 1.00 0.00 H new ATOM 0 HB THR A 57 2.694 5.016 7.774 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.651 4.198 9.995 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.474 6.099 9.968 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.943 6.094 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.188 4.947 10.399 1.00 0.00 H new ATOM 900 N GLU A 58 -1.240 3.600 8.422 1.00 0.00 N ATOM 901 CA GLU A 58 -2.573 4.204 8.410 1.00 0.00 C ATOM 902 C GLU A 58 -2.594 5.484 9.243 1.00 0.00 C ATOM 903 O GLU A 58 -2.590 6.593 8.706 1.00 0.00 O ATOM 904 CB GLU A 58 -3.634 3.223 8.927 1.00 0.00 C ATOM 905 CG GLU A 58 -3.699 1.919 8.147 1.00 0.00 C ATOM 906 CD GLU A 58 -2.863 0.820 8.769 1.00 0.00 C ATOM 907 OE1 GLU A 58 -1.625 0.964 8.820 1.00 0.00 O ATOM 908 OE2 GLU A 58 -3.453 -0.190 9.223 1.00 0.00 O ATOM 0 H GLU A 58 -1.200 2.669 8.838 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.812 4.452 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.428 2.999 9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.610 3.706 8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.736 1.589 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.359 2.094 7.126 1.00 0.00 H new ATOM 915 N GLU A 59 -2.597 5.323 10.557 1.00 0.00 N ATOM 916 CA GLU A 59 -2.556 6.454 11.464 1.00 0.00 C ATOM 917 C GLU A 59 -1.416 6.251 12.452 1.00 0.00 C ATOM 918 O GLU A 59 -1.600 5.705 13.542 1.00 0.00 O ATOM 919 CB GLU A 59 -3.899 6.625 12.182 1.00 0.00 C ATOM 920 CG GLU A 59 -4.022 7.938 12.940 1.00 0.00 C ATOM 921 CD GLU A 59 -5.418 8.179 13.473 1.00 0.00 C ATOM 922 OE1 GLU A 59 -5.757 7.624 14.537 1.00 0.00 O ATOM 923 OE2 GLU A 59 -6.181 8.932 12.829 1.00 0.00 O ATOM 0 H GLU A 59 -2.628 4.414 11.019 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.378 7.370 10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.704 6.561 11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.036 5.798 12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.316 7.941 13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.743 8.760 12.281 1.00 0.00 H new ATOM 930 N GLY A 60 -0.230 6.650 12.018 1.00 0.00 N ATOM 931 CA GLY A 60 0.979 6.431 12.789 1.00 0.00 C ATOM 932 C GLY A 60 0.957 7.128 14.127 1.00 0.00 C ATOM 933 O GLY A 60 0.312 8.164 14.287 1.00 0.00 O ATOM 0 H GLY A 60 -0.081 7.130 11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.116 5.361 12.945 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.838 6.782 12.216 1.00 0.00 H new ATOM 937 N ASP A 61 1.665 6.554 15.085 1.00 0.00 N ATOM 938 CA ASP A 61 1.743 7.113 16.422 1.00 0.00 C ATOM 939 C ASP A 61 2.815 8.190 16.459 1.00 0.00 C ATOM 940 O ASP A 61 3.980 7.866 16.772 1.00 0.00 O ATOM 941 CB ASP A 61 2.068 6.013 17.434 1.00 0.00 C ATOM 942 CG ASP A 61 1.999 6.494 18.870 1.00 0.00 C ATOM 943 OD1 ASP A 61 0.878 6.639 19.393 1.00 0.00 O ATOM 944 OD2 ASP A 61 3.063 6.695 19.492 1.00 0.00 O ATOM 0 H ASP A 61 2.198 5.694 14.959 1.00 0.00 H new ATOM 0 HA ASP A 61 0.781 7.554 16.684 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.372 5.185 17.299 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.067 5.625 17.234 1.00 0.00 H new TER 949 ASP A 61