USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 GLN : amide:sc= -0.0905 X(o=-0.091,f=-0.32) USER MOD Set 2.1: A 19 ASN : amide:sc= 0.886 K(o=1.4,f=-1.1) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.489 K(o=1.4,f=-0.65) USER MOD Single : A 17 HIS : no HE2:sc= -0.207 K(o=-0.21,f=-0.84) USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.06) USER MOD Single : A 25 GLN : amide:sc= 1.13 K(o=1.1,f=-0.57) USER MOD Single : A 28 SER OG : rot -97:sc= 1.07 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0619 K(o=-0.062,f=-0.57) USER MOD Single : A 38 THR OG1 : rot -160:sc= -1.88! USER MOD Single : A 41 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0438 (180deg=-0.291) USER MOD Single : A 44 MET CE :methyl -177:sc= 0 (180deg=-0.0196) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -102:sc= 0.791 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -116:sc= -0.076 (180deg=-0.61) USER MOD Single : A 57 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.9) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 75 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.86) USER MOD Single : A 78 MET CE :methyl -169:sc= -0.305 (180deg=-0.486) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 88 GLN : amide:sc= -0.0548 K(o=-0.055,f=-1.1) USER MOD Single : A 89 GLN : amide:sc= -0.309 K(o=-0.31,f=-0.93) USER MOD Single : A 90 GLN : amide:sc= -0.0771 K(o=-0.077,f=-3.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 7.742 13.441 1.437 1.00 10.00 N ATOM 14 CA HIS A 17 6.741 12.390 1.547 1.00 10.00 C ATOM 15 C HIS A 17 5.374 12.918 1.134 1.00 10.00 C ATOM 16 O HIS A 17 4.937 13.968 1.607 1.00 10.00 O ATOM 17 CB HIS A 17 6.675 11.855 2.981 1.00 10.00 C ATOM 18 CG HIS A 17 7.733 10.849 3.321 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.836 11.191 4.070 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.800 9.529 3.015 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.539 10.081 4.206 1.00 10.00 C ATOM 22 NE2 HIS A 17 8.950 9.051 3.588 1.00 10.00 N ATOM 0 HA HIS A 17 7.027 11.576 0.881 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.755 12.694 3.672 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.697 11.402 3.141 1.00 10.00 H new ATOM 0 HD1 HIS A 17 9.064 12.112 4.443 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.086 8.965 2.433 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.471 10.014 4.747 1.00 10.00 H new ATOM 30 N ILE A 18 4.706 12.189 0.255 1.00 10.00 N ATOM 31 CA ILE A 18 3.384 12.575 -0.217 1.00 10.00 C ATOM 32 C ILE A 18 2.322 11.738 0.491 1.00 10.00 C ATOM 33 O ILE A 18 2.452 10.517 0.606 1.00 10.00 O ATOM 34 CB ILE A 18 3.264 12.427 -1.759 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.867 12.824 -2.246 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.602 11.011 -2.204 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.701 12.731 -3.748 1.00 10.00 C ATOM 0 H ILE A 18 5.059 11.321 -0.149 1.00 10.00 H new ATOM 0 HA ILE A 18 3.228 13.627 0.020 1.00 10.00 H new ATOM 0 HB ILE A 18 3.987 13.106 -2.210 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.128 12.182 -1.766 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.657 13.845 -1.928 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.509 10.938 -3.288 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.624 10.772 -1.910 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.915 10.308 -1.733 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.688 13.027 -4.021 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.416 13.394 -4.235 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.879 11.705 -4.071 1.00 10.00 H new ATOM 49 N ASN A 19 1.297 12.399 1.003 1.00 10.00 N ATOM 50 CA ASN A 19 0.231 11.712 1.718 1.00 10.00 C ATOM 51 C ASN A 19 -0.976 11.498 0.816 1.00 10.00 C ATOM 52 O ASN A 19 -1.587 12.458 0.339 1.00 10.00 O ATOM 53 CB ASN A 19 -0.189 12.502 2.963 1.00 10.00 C ATOM 54 CG ASN A 19 0.967 12.775 3.908 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.277 11.964 4.785 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.605 13.924 3.745 1.00 10.00 N ATOM 0 H ASN A 19 1.179 13.410 0.938 1.00 10.00 H new ATOM 0 HA ASN A 19 0.615 10.741 2.030 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.630 13.450 2.654 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.963 11.948 3.494 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.384 14.166 4.357 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.317 14.567 3.007 1.00 10.00 H new ATOM 63 N LEU A 20 -1.310 10.240 0.581 1.00 10.00 N ATOM 64 CA LEU A 20 -2.446 9.887 -0.259 1.00 10.00 C ATOM 65 C LEU A 20 -3.541 9.233 0.580 1.00 10.00 C ATOM 66 O LEU A 20 -3.270 8.679 1.642 1.00 10.00 O ATOM 67 CB LEU A 20 -1.999 8.940 -1.375 1.00 10.00 C ATOM 68 CG LEU A 20 -0.869 9.471 -2.261 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.250 8.346 -3.072 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.386 10.572 -3.176 1.00 10.00 C ATOM 0 H LEU A 20 -0.807 9.439 0.963 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.847 10.796 -0.708 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.677 8.000 -0.926 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.859 8.714 -2.005 1.00 10.00 H new ATOM 0 HG LEU A 20 -0.095 9.892 -1.619 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.551 8.744 -3.695 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.156 7.592 -2.398 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -1.012 7.893 -3.706 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.571 10.939 -3.800 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -2.178 10.175 -3.811 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.779 11.391 -2.574 1.00 10.00 H new ATOM 82 N LYS A 21 -4.777 9.313 0.110 1.00 10.00 N ATOM 83 CA LYS A 21 -5.904 8.725 0.825 1.00 10.00 C ATOM 84 C LYS A 21 -6.450 7.515 0.076 1.00 10.00 C ATOM 85 O LYS A 21 -6.294 7.401 -1.142 1.00 10.00 O ATOM 86 CB LYS A 21 -7.025 9.749 1.011 1.00 10.00 C ATOM 87 CG LYS A 21 -6.743 10.805 2.064 1.00 10.00 C ATOM 88 CD LYS A 21 -7.633 12.022 1.869 1.00 10.00 C ATOM 89 CE LYS A 21 -7.152 13.210 2.684 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.959 14.430 2.418 1.00 10.00 N ATOM 0 H LYS A 21 -5.027 9.779 -0.763 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.542 8.408 1.803 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.209 10.244 0.058 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.941 9.222 1.279 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -6.907 10.386 3.057 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.696 11.104 2.013 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.655 12.291 0.813 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -8.655 11.774 2.156 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -7.202 12.966 3.745 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -6.106 13.409 2.452 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -7.491 15.255 2.844 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -8.045 14.572 1.391 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.906 14.317 2.832 1.00 10.00 H new ATOM 104 N VAL A 22 -7.086 6.616 0.809 1.00 10.00 N ATOM 105 CA VAL A 22 -7.676 5.420 0.225 1.00 10.00 C ATOM 106 C VAL A 22 -9.191 5.482 0.350 1.00 10.00 C ATOM 107 O VAL A 22 -9.726 5.500 1.458 1.00 10.00 O ATOM 108 CB VAL A 22 -7.159 4.133 0.910 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.846 2.896 0.343 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.652 4.017 0.759 1.00 10.00 C ATOM 0 H VAL A 22 -7.208 6.692 1.819 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.385 5.386 -0.825 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.400 4.198 1.971 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.463 2.006 0.843 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.921 2.970 0.506 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.645 2.826 -0.726 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.307 3.106 1.247 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.394 3.982 -0.299 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -5.173 4.880 1.221 1.00 10.00 H new ATOM 120 N ALA A 23 -9.877 5.535 -0.783 1.00 10.00 N ATOM 121 CA ALA A 23 -11.330 5.602 -0.787 1.00 10.00 C ATOM 122 C ALA A 23 -11.935 4.206 -0.683 1.00 10.00 C ATOM 123 O ALA A 23 -12.033 3.481 -1.677 1.00 10.00 O ATOM 124 CB ALA A 23 -11.830 6.315 -2.035 1.00 10.00 C ATOM 0 H ALA A 23 -9.451 5.533 -1.710 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.648 6.175 0.084 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.919 6.355 -2.019 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.430 7.329 -2.060 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.499 5.773 -2.921 1.00 10.00 H new ATOM 130 N GLY A 24 -12.340 3.839 0.525 1.00 10.00 N ATOM 131 CA GLY A 24 -12.928 2.534 0.749 1.00 10.00 C ATOM 132 C GLY A 24 -14.415 2.509 0.466 1.00 10.00 C ATOM 133 O GLY A 24 -15.049 3.556 0.332 1.00 10.00 O ATOM 0 H GLY A 24 -12.271 4.425 1.357 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.429 1.801 0.115 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.753 2.233 1.782 1.00 10.00 H new ATOM 137 N GLN A 25 -14.970 1.310 0.370 1.00 10.00 N ATOM 138 CA GLN A 25 -16.390 1.137 0.101 1.00 10.00 C ATOM 139 C GLN A 25 -17.160 0.971 1.404 1.00 10.00 C ATOM 140 O GLN A 25 -18.390 0.897 1.411 1.00 10.00 O ATOM 141 CB GLN A 25 -16.614 -0.087 -0.794 1.00 10.00 C ATOM 142 CG GLN A 25 -15.887 -0.014 -2.129 1.00 10.00 C ATOM 143 CD GLN A 25 -16.351 1.147 -2.983 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.511 1.555 -2.922 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.452 1.684 -3.788 1.00 10.00 N ATOM 0 H GLN A 25 -14.454 0.436 0.475 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.755 2.026 -0.414 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.287 -0.980 -0.261 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.682 -0.200 -0.979 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -14.816 0.077 -1.950 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.041 -0.945 -2.674 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.501 1.316 -3.808 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.709 2.467 -4.389 1.00 10.00 H new ATOM 154 N ASP A 26 -16.426 0.903 2.504 1.00 10.00 N ATOM 155 CA ASP A 26 -17.026 0.736 3.823 1.00 10.00 C ATOM 156 C ASP A 26 -16.962 2.027 4.633 1.00 10.00 C ATOM 157 O ASP A 26 -17.879 2.334 5.396 1.00 10.00 O ATOM 158 CB ASP A 26 -16.323 -0.394 4.582 1.00 10.00 C ATOM 159 CG ASP A 26 -14.848 -0.118 4.788 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.052 -0.423 3.878 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.480 0.419 5.851 1.00 10.00 O ATOM 0 H ASP A 26 -15.408 0.961 2.511 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.076 0.479 3.682 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.803 -0.532 5.551 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.442 -1.327 4.032 1.00 10.00 H new ATOM 166 N GLY A 27 -15.886 2.784 4.464 1.00 10.00 N ATOM 167 CA GLY A 27 -15.740 4.027 5.195 1.00 10.00 C ATOM 168 C GLY A 27 -14.339 4.229 5.731 1.00 10.00 C ATOM 169 O GLY A 27 -13.896 5.364 5.902 1.00 10.00 O ATOM 0 H GLY A 27 -15.114 2.560 3.836 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.998 4.860 4.542 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.447 4.041 6.024 1.00 10.00 H new ATOM 173 N SER A 28 -13.638 3.135 5.999 1.00 10.00 N ATOM 174 CA SER A 28 -12.277 3.213 6.517 1.00 10.00 C ATOM 175 C SER A 28 -11.353 3.901 5.513 1.00 10.00 C ATOM 176 O SER A 28 -11.524 3.772 4.296 1.00 10.00 O ATOM 177 CB SER A 28 -11.748 1.813 6.850 1.00 10.00 C ATOM 178 OG SER A 28 -11.923 0.922 5.761 1.00 10.00 O ATOM 0 H SER A 28 -13.987 2.186 5.867 1.00 10.00 H new ATOM 0 HA SER A 28 -12.296 3.807 7.431 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.690 1.873 7.106 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.267 1.425 7.727 1.00 10.00 H new ATOM 0 HG SER A 28 -12.739 0.397 5.896 1.00 10.00 H new ATOM 184 N VAL A 29 -10.396 4.654 6.026 1.00 10.00 N ATOM 185 CA VAL A 29 -9.443 5.351 5.185 1.00 10.00 C ATOM 186 C VAL A 29 -8.027 5.096 5.689 1.00 10.00 C ATOM 187 O VAL A 29 -7.775 5.097 6.897 1.00 10.00 O ATOM 188 CB VAL A 29 -9.729 6.873 5.133 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.645 7.498 6.519 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.779 7.571 4.169 1.00 10.00 C ATOM 0 H VAL A 29 -10.259 4.798 7.026 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.543 4.965 4.171 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.747 7.007 4.767 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.850 8.566 6.449 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.379 7.029 7.175 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.645 7.347 6.926 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -8.999 8.638 4.150 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.751 7.419 4.497 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.906 7.156 3.169 1.00 10.00 H new ATOM 200 N VAL A 30 -7.120 4.827 4.765 1.00 10.00 N ATOM 201 CA VAL A 30 -5.734 4.572 5.115 1.00 10.00 C ATOM 202 C VAL A 30 -4.833 5.640 4.507 1.00 10.00 C ATOM 203 O VAL A 30 -4.788 5.797 3.286 1.00 10.00 O ATOM 204 CB VAL A 30 -5.263 3.175 4.645 1.00 10.00 C ATOM 205 CG1 VAL A 30 -3.901 2.838 5.237 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.281 2.106 5.017 1.00 10.00 C ATOM 0 H VAL A 30 -7.319 4.780 3.766 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.666 4.602 6.202 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.172 3.199 3.559 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -3.589 1.852 4.894 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.171 3.581 4.917 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -3.967 2.839 6.325 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -5.928 1.133 4.676 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.409 2.087 6.099 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.236 2.332 4.542 1.00 10.00 H new ATOM 216 N GLN A 31 -4.147 6.387 5.363 1.00 10.00 N ATOM 217 CA GLN A 31 -3.238 7.430 4.905 1.00 10.00 C ATOM 218 C GLN A 31 -1.981 6.793 4.336 1.00 10.00 C ATOM 219 O GLN A 31 -1.200 6.172 5.061 1.00 10.00 O ATOM 220 CB GLN A 31 -2.878 8.387 6.043 1.00 10.00 C ATOM 221 CG GLN A 31 -2.103 9.616 5.581 1.00 10.00 C ATOM 222 CD GLN A 31 -2.035 10.704 6.637 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.955 10.867 7.439 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.951 11.467 6.638 1.00 10.00 N ATOM 0 H GLN A 31 -4.203 6.290 6.377 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.737 8.009 4.128 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.793 8.710 6.539 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.285 7.851 6.784 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.091 9.319 5.307 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.571 10.018 4.682 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.210 11.301 5.957 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.858 12.220 7.319 1.00 10.00 H new ATOM 233 N PHE A 32 -1.804 6.937 3.036 1.00 10.00 N ATOM 234 CA PHE A 32 -0.664 6.365 2.348 1.00 10.00 C ATOM 235 C PHE A 32 0.522 7.315 2.344 1.00 10.00 C ATOM 236 O PHE A 32 0.548 8.291 1.596 1.00 10.00 O ATOM 237 CB PHE A 32 -1.045 5.994 0.910 1.00 10.00 C ATOM 238 CG PHE A 32 -1.050 4.512 0.661 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.213 3.774 0.798 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.114 3.855 0.305 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.213 2.407 0.585 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.122 2.491 0.089 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.043 1.765 0.232 1.00 10.00 C ATOM 0 H PHE A 32 -2.444 7.451 2.430 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.369 5.465 2.887 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -2.033 6.396 0.688 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.346 6.469 0.222 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -3.131 4.271 1.074 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.030 4.417 0.194 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.127 1.843 0.695 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.039 1.993 -0.191 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.039 0.698 0.068 1.00 10.00 H new ATOM 253 N LYS A 33 1.483 7.040 3.213 1.00 10.00 N ATOM 254 CA LYS A 33 2.698 7.835 3.290 1.00 10.00 C ATOM 255 C LYS A 33 3.750 7.206 2.388 1.00 10.00 C ATOM 256 O LYS A 33 4.362 6.197 2.742 1.00 10.00 O ATOM 257 CB LYS A 33 3.210 7.913 4.731 1.00 10.00 C ATOM 258 CG LYS A 33 4.582 8.565 4.857 1.00 10.00 C ATOM 259 CD LYS A 33 5.026 8.666 6.305 1.00 10.00 C ATOM 260 CE LYS A 33 6.478 9.106 6.412 1.00 10.00 C ATOM 261 NZ LYS A 33 6.910 9.276 7.824 1.00 10.00 N ATOM 0 H LYS A 33 1.444 6.268 3.878 1.00 10.00 H new ATOM 0 HA LYS A 33 2.485 8.852 2.960 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.494 8.474 5.332 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.256 6.906 5.146 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.313 7.986 4.292 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.553 9.561 4.415 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.390 9.376 6.833 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.900 7.700 6.794 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.116 8.369 5.925 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.611 10.046 5.877 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 7.905 9.576 7.849 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.319 9.998 8.283 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 6.808 8.373 8.329 1.00 10.00 H new ATOM 275 N ILE A 34 3.916 7.770 1.206 1.00 10.00 N ATOM 276 CA ILE A 34 4.878 7.252 0.244 1.00 10.00 C ATOM 277 C ILE A 34 5.694 8.401 -0.341 1.00 10.00 C ATOM 278 O ILE A 34 5.362 9.565 -0.137 1.00 10.00 O ATOM 279 CB ILE A 34 4.172 6.436 -0.889 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.193 7.170 -2.233 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.733 6.116 -0.510 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.592 6.371 -3.371 1.00 10.00 C ATOM 0 H ILE A 34 3.398 8.588 0.886 1.00 10.00 H new ATOM 0 HA ILE A 34 5.550 6.569 0.764 1.00 10.00 H new ATOM 0 HB ILE A 34 4.735 5.509 -1.001 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.649 8.109 -2.133 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.223 7.423 -2.483 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.263 5.548 -1.313 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.721 5.526 0.407 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.183 7.044 -0.352 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.641 6.954 -4.291 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.150 5.443 -3.499 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.551 6.140 -3.143 1.00 10.00 H new ATOM 294 N LYS A 35 6.776 8.084 -1.031 1.00 10.00 N ATOM 295 CA LYS A 35 7.600 9.115 -1.638 1.00 10.00 C ATOM 296 C LYS A 35 7.158 9.341 -3.076 1.00 10.00 C ATOM 297 O LYS A 35 6.628 8.435 -3.720 1.00 10.00 O ATOM 298 CB LYS A 35 9.083 8.740 -1.582 1.00 10.00 C ATOM 299 CG LYS A 35 9.658 8.751 -0.173 1.00 10.00 C ATOM 300 CD LYS A 35 9.523 7.393 0.499 1.00 10.00 C ATOM 301 CE LYS A 35 10.837 6.632 0.482 1.00 10.00 C ATOM 302 NZ LYS A 35 11.744 7.060 1.578 1.00 10.00 N ATOM 0 H LYS A 35 7.102 7.130 -1.184 1.00 10.00 H new ATOM 0 HA LYS A 35 7.473 10.040 -1.075 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.215 7.747 -2.012 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.649 9.435 -2.203 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.710 9.036 -0.211 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.145 9.505 0.424 1.00 10.00 H new ATOM 0 HD2 LYS A 35 9.192 7.527 1.529 1.00 10.00 H new ATOM 0 HD3 LYS A 35 8.756 6.809 -0.009 1.00 10.00 H new ATOM 0 HE2 LYS A 35 10.638 5.564 0.572 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.331 6.784 -0.477 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.629 6.515 1.529 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 11.955 8.073 1.478 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 11.284 6.891 2.495 1.00 10.00 H new ATOM 316 N ARG A 36 7.395 10.540 -3.586 1.00 10.00 N ATOM 317 CA ARG A 36 7.001 10.888 -4.946 1.00 10.00 C ATOM 318 C ARG A 36 7.748 10.037 -5.975 1.00 10.00 C ATOM 319 O ARG A 36 7.330 9.928 -7.126 1.00 10.00 O ATOM 320 CB ARG A 36 7.251 12.376 -5.200 1.00 10.00 C ATOM 321 CG ARG A 36 6.416 12.958 -6.329 1.00 10.00 C ATOM 322 CD ARG A 36 6.324 14.472 -6.231 1.00 10.00 C ATOM 323 NE ARG A 36 5.783 15.070 -7.451 1.00 10.00 N ATOM 324 CZ ARG A 36 4.608 15.705 -7.521 1.00 10.00 C ATOM 325 NH1 ARG A 36 3.840 15.825 -6.446 1.00 10.00 N ATOM 326 NH2 ARG A 36 4.198 16.224 -8.672 1.00 10.00 N ATOM 0 H ARG A 36 7.860 11.292 -3.078 1.00 10.00 H new ATOM 0 HA ARG A 36 5.936 10.683 -5.055 1.00 10.00 H new ATOM 0 HB2 ARG A 36 7.043 12.930 -4.285 1.00 10.00 H new ATOM 0 HB3 ARG A 36 8.306 12.523 -5.429 1.00 10.00 H new ATOM 0 HG2 ARG A 36 6.854 12.680 -7.288 1.00 10.00 H new ATOM 0 HG3 ARG A 36 5.414 12.529 -6.301 1.00 10.00 H new ATOM 0 HD2 ARG A 36 5.693 14.742 -5.384 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.314 14.883 -6.034 1.00 10.00 H new ATOM 0 HE ARG A 36 6.338 14.998 -8.304 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.144 15.431 -5.556 1.00 10.00 H new ATOM 0 HH12 ARG A 36 2.946 16.311 -6.510 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.780 16.139 -9.506 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.301 16.708 -8.723 1.00 10.00 H new ATOM 340 N HIS A 37 8.846 9.422 -5.548 1.00 10.00 N ATOM 341 CA HIS A 37 9.642 8.573 -6.430 1.00 10.00 C ATOM 342 C HIS A 37 9.394 7.092 -6.139 1.00 10.00 C ATOM 343 O HIS A 37 10.100 6.222 -6.647 1.00 10.00 O ATOM 344 CB HIS A 37 11.138 8.891 -6.288 1.00 10.00 C ATOM 345 CG HIS A 37 11.687 8.721 -4.899 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.995 7.479 -4.389 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.981 9.663 -3.971 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.467 7.693 -3.171 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.476 9.000 -2.880 1.00 10.00 N ATOM 0 H HIS A 37 9.206 9.495 -4.596 1.00 10.00 H new ATOM 0 HA HIS A 37 9.334 8.781 -7.455 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.698 8.248 -6.967 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.309 9.919 -6.608 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.850 10.730 -4.072 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.801 6.915 -2.500 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.793 9.423 -2.008 1.00 10.00 H new ATOM 357 N THR A 38 8.381 6.817 -5.330 1.00 10.00 N ATOM 358 CA THR A 38 8.044 5.452 -4.960 1.00 10.00 C ATOM 359 C THR A 38 6.950 4.886 -5.871 1.00 10.00 C ATOM 360 O THR A 38 5.916 5.523 -6.073 1.00 10.00 O ATOM 361 CB THR A 38 7.595 5.404 -3.487 1.00 10.00 C ATOM 362 OG1 THR A 38 8.679 5.823 -2.647 1.00 10.00 O ATOM 363 CG2 THR A 38 7.145 4.009 -3.085 1.00 10.00 C ATOM 0 H THR A 38 7.776 7.526 -4.916 1.00 10.00 H new ATOM 0 HA THR A 38 8.933 4.833 -5.083 1.00 10.00 H new ATOM 0 HB THR A 38 6.745 6.076 -3.367 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.527 5.503 -1.733 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.836 4.014 -2.040 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.306 3.703 -3.710 1.00 10.00 H new ATOM 0 HG23 THR A 38 7.970 3.309 -3.216 1.00 10.00 H new ATOM 371 N PRO A 39 7.189 3.691 -6.453 1.00 10.00 N ATOM 372 CA PRO A 39 6.224 3.026 -7.343 1.00 10.00 C ATOM 373 C PRO A 39 4.849 2.854 -6.703 1.00 10.00 C ATOM 374 O PRO A 39 4.738 2.513 -5.521 1.00 10.00 O ATOM 375 CB PRO A 39 6.858 1.656 -7.599 1.00 10.00 C ATOM 376 CG PRO A 39 8.313 1.852 -7.368 1.00 10.00 C ATOM 377 CD PRO A 39 8.431 2.903 -6.301 1.00 10.00 C ATOM 0 HA PRO A 39 6.046 3.611 -8.245 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.450 0.901 -6.926 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.663 1.315 -8.616 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.786 0.922 -7.052 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.813 2.169 -8.283 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.506 2.460 -5.308 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.318 3.521 -6.442 1.00 10.00 H new ATOM 385 N LEU A 40 3.801 3.071 -7.494 1.00 10.00 N ATOM 386 CA LEU A 40 2.434 2.946 -7.003 1.00 10.00 C ATOM 387 C LEU A 40 2.035 1.482 -6.866 1.00 10.00 C ATOM 388 O LEU A 40 0.999 1.169 -6.283 1.00 10.00 O ATOM 389 CB LEU A 40 1.453 3.662 -7.930 1.00 10.00 C ATOM 390 CG LEU A 40 1.457 5.191 -7.847 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.385 5.768 -8.757 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.248 5.658 -6.413 1.00 10.00 C ATOM 0 H LEU A 40 3.874 3.334 -8.477 1.00 10.00 H new ATOM 0 HA LEU A 40 2.395 3.414 -6.020 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.674 3.372 -8.957 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.447 3.307 -7.708 1.00 10.00 H new ATOM 0 HG LEU A 40 2.431 5.551 -8.180 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.397 6.856 -8.690 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.580 5.466 -9.786 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.592 5.397 -8.449 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.255 6.747 -6.381 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.290 5.290 -6.047 1.00 10.00 H new ATOM 0 HD23 LEU A 40 2.050 5.271 -5.784 1.00 10.00 H new ATOM 404 N SER A 41 2.860 0.592 -7.403 1.00 10.00 N ATOM 405 CA SER A 41 2.597 -0.836 -7.325 1.00 10.00 C ATOM 406 C SER A 41 2.538 -1.279 -5.866 1.00 10.00 C ATOM 407 O SER A 41 1.768 -2.171 -5.503 1.00 10.00 O ATOM 408 CB SER A 41 3.688 -1.605 -8.066 1.00 10.00 C ATOM 409 OG SER A 41 4.967 -1.073 -7.755 1.00 10.00 O ATOM 0 H SER A 41 3.718 0.836 -7.898 1.00 10.00 H new ATOM 0 HA SER A 41 1.636 -1.047 -7.793 1.00 10.00 H new ATOM 0 HB2 SER A 41 3.649 -2.659 -7.792 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.515 -1.549 -9.141 1.00 10.00 H new ATOM 0 HG SER A 41 5.657 -1.577 -8.236 1.00 10.00 H new ATOM 415 N LYS A 42 3.352 -0.633 -5.028 1.00 10.00 N ATOM 416 CA LYS A 42 3.392 -0.944 -3.606 1.00 10.00 C ATOM 417 C LYS A 42 2.055 -0.613 -2.959 1.00 10.00 C ATOM 418 O LYS A 42 1.608 -1.312 -2.061 1.00 10.00 O ATOM 419 CB LYS A 42 4.495 -0.151 -2.898 1.00 10.00 C ATOM 420 CG LYS A 42 5.844 -0.185 -3.592 1.00 10.00 C ATOM 421 CD LYS A 42 6.922 0.465 -2.736 1.00 10.00 C ATOM 422 CE LYS A 42 7.523 -0.521 -1.743 1.00 10.00 C ATOM 423 NZ LYS A 42 8.335 -1.567 -2.422 1.00 10.00 N ATOM 0 H LYS A 42 3.991 0.109 -5.314 1.00 10.00 H new ATOM 0 HA LYS A 42 3.601 -2.009 -3.506 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.175 0.887 -2.805 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.612 -0.540 -1.887 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.120 -1.218 -3.806 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.776 0.331 -4.549 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.709 0.859 -3.379 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.497 1.312 -2.197 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.147 0.017 -1.030 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.724 -0.995 -1.173 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 8.987 -2.000 -1.737 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.705 -2.298 -2.810 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.882 -1.135 -3.194 1.00 10.00 H new ATOM 437 N LEU A 43 1.420 0.447 -3.448 1.00 10.00 N ATOM 438 CA LEU A 43 0.139 0.902 -2.922 1.00 10.00 C ATOM 439 C LEU A 43 -0.904 -0.210 -2.983 1.00 10.00 C ATOM 440 O LEU A 43 -1.636 -0.447 -2.022 1.00 10.00 O ATOM 441 CB LEU A 43 -0.340 2.122 -3.715 1.00 10.00 C ATOM 442 CG LEU A 43 -1.226 3.105 -2.950 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.871 4.536 -3.324 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.696 2.830 -3.228 1.00 10.00 C ATOM 0 H LEU A 43 1.778 1.013 -4.218 1.00 10.00 H new ATOM 0 HA LEU A 43 0.273 1.180 -1.877 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.534 2.660 -4.082 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.889 1.771 -4.589 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.050 2.971 -1.883 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.510 5.225 -2.772 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.172 4.729 -3.075 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.021 4.680 -4.394 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.310 3.540 -2.674 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.891 2.937 -4.295 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.942 1.816 -2.914 1.00 10.00 H new ATOM 456 N MET A 44 -0.949 -0.900 -4.109 1.00 10.00 N ATOM 457 CA MET A 44 -1.902 -1.983 -4.300 1.00 10.00 C ATOM 458 C MET A 44 -1.525 -3.199 -3.464 1.00 10.00 C ATOM 459 O MET A 44 -2.349 -3.733 -2.727 1.00 10.00 O ATOM 460 CB MET A 44 -1.982 -2.374 -5.778 1.00 10.00 C ATOM 461 CG MET A 44 -2.547 -1.281 -6.667 1.00 10.00 C ATOM 462 SD MET A 44 -3.057 -1.890 -8.287 1.00 10.00 S ATOM 463 CE MET A 44 -1.478 -2.349 -8.994 1.00 10.00 C ATOM 0 H MET A 44 -0.337 -0.731 -4.907 1.00 10.00 H new ATOM 0 HA MET A 44 -2.879 -1.627 -3.972 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.985 -2.637 -6.130 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.600 -3.266 -5.876 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.402 -0.822 -6.171 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.797 -0.501 -6.797 1.00 10.00 H new ATOM 0 HE1 MET A 44 -1.624 -2.694 -10.018 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.814 -1.484 -8.994 1.00 10.00 H new ATOM 0 HE3 MET A 44 -1.033 -3.148 -8.402 1.00 10.00 H new ATOM 473 N LYS A 45 -0.266 -3.605 -3.557 1.00 10.00 N ATOM 474 CA LYS A 45 0.230 -4.781 -2.845 1.00 10.00 C ATOM 475 C LYS A 45 0.168 -4.629 -1.321 1.00 10.00 C ATOM 476 O LYS A 45 -0.402 -5.477 -0.633 1.00 10.00 O ATOM 477 CB LYS A 45 1.671 -5.078 -3.265 1.00 10.00 C ATOM 478 CG LYS A 45 1.833 -5.354 -4.754 1.00 10.00 C ATOM 479 CD LYS A 45 3.280 -5.656 -5.118 1.00 10.00 C ATOM 480 CE LYS A 45 4.187 -4.458 -4.869 1.00 10.00 C ATOM 481 NZ LYS A 45 5.623 -4.795 -5.042 1.00 10.00 N ATOM 0 H LYS A 45 0.439 -3.134 -4.124 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.425 -5.609 -3.116 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.301 -4.232 -2.991 1.00 10.00 H new ATOM 0 HB3 LYS A 45 2.033 -5.940 -2.704 1.00 10.00 H new ATOM 0 HG2 LYS A 45 1.203 -6.197 -5.038 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.487 -4.491 -5.323 1.00 10.00 H new ATOM 0 HD2 LYS A 45 3.632 -6.506 -4.534 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.338 -5.944 -6.168 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.919 -3.653 -5.554 1.00 10.00 H new ATOM 0 HE3 LYS A 45 4.023 -4.084 -3.858 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 6.202 -3.950 -4.863 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.887 -5.544 -4.371 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 5.787 -5.127 -6.014 1.00 10.00 H new ATOM 495 N ALA A 46 0.740 -3.545 -0.807 1.00 10.00 N ATOM 496 CA ALA A 46 0.786 -3.302 0.634 1.00 10.00 C ATOM 497 C ALA A 46 -0.605 -3.246 1.262 1.00 10.00 C ATOM 498 O ALA A 46 -0.841 -3.844 2.314 1.00 10.00 O ATOM 499 CB ALA A 46 1.552 -2.022 0.929 1.00 10.00 C ATOM 0 H ALA A 46 1.181 -2.816 -1.369 1.00 10.00 H new ATOM 0 HA ALA A 46 1.306 -4.147 1.085 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.578 -1.854 2.006 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.570 -2.112 0.551 1.00 10.00 H new ATOM 0 HB3 ALA A 46 1.057 -1.182 0.442 1.00 10.00 H new ATOM 505 N TYR A 47 -1.525 -2.539 0.620 1.00 10.00 N ATOM 506 CA TYR A 47 -2.883 -2.415 1.139 1.00 10.00 C ATOM 507 C TYR A 47 -3.657 -3.723 0.970 1.00 10.00 C ATOM 508 O TYR A 47 -4.422 -4.115 1.855 1.00 10.00 O ATOM 509 CB TYR A 47 -3.607 -1.249 0.456 1.00 10.00 C ATOM 510 CG TYR A 47 -5.107 -1.220 0.678 1.00 10.00 C ATOM 511 CD1 TYR A 47 -5.975 -1.757 -0.266 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.652 -0.658 1.825 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.341 -1.732 -0.077 1.00 10.00 C ATOM 514 CE2 TYR A 47 -7.022 -0.631 2.022 1.00 10.00 C ATOM 515 CZ TYR A 47 -7.860 -1.170 1.068 1.00 10.00 C ATOM 516 OH TYR A 47 -9.223 -1.145 1.256 1.00 10.00 O ATOM 0 H TYR A 47 -1.359 -2.044 -0.256 1.00 10.00 H new ATOM 0 HA TYR A 47 -2.827 -2.204 2.207 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.181 -0.313 0.817 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.412 -1.295 -0.615 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.572 -2.202 -1.164 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.998 -0.236 2.574 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.000 -2.151 -0.823 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.433 -0.190 2.918 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.427 -0.716 2.113 1.00 10.00 H new ATOM 526 N CYS A 48 -3.442 -4.410 -0.148 1.00 10.00 N ATOM 527 CA CYS A 48 -4.125 -5.673 -0.407 1.00 10.00 C ATOM 528 C CYS A 48 -3.741 -6.713 0.640 1.00 10.00 C ATOM 529 O CYS A 48 -4.561 -7.544 1.037 1.00 10.00 O ATOM 530 CB CYS A 48 -3.788 -6.188 -1.805 1.00 10.00 C ATOM 531 SG CYS A 48 -5.108 -7.155 -2.566 1.00 10.00 S ATOM 0 H CYS A 48 -2.803 -4.115 -0.886 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.199 -5.498 -0.349 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.556 -5.339 -2.448 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.888 -6.801 -1.749 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.822 -8.420 -2.483 1.00 10.00 H new ATOM 537 N GLU A 49 -2.496 -6.650 1.095 1.00 10.00 N ATOM 538 CA GLU A 49 -2.003 -7.572 2.105 1.00 10.00 C ATOM 539 C GLU A 49 -2.735 -7.368 3.428 1.00 10.00 C ATOM 540 O GLU A 49 -2.971 -8.323 4.168 1.00 10.00 O ATOM 541 CB GLU A 49 -0.498 -7.397 2.301 1.00 10.00 C ATOM 542 CG GLU A 49 0.329 -8.354 1.463 1.00 10.00 C ATOM 543 CD GLU A 49 0.053 -9.802 1.808 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.448 -10.240 2.911 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.564 -10.508 0.984 1.00 10.00 O ATOM 0 H GLU A 49 -1.808 -5.967 0.778 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.194 -8.588 1.759 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.222 -6.373 2.050 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.256 -7.543 3.354 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.116 -8.187 0.407 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.388 -8.142 1.612 1.00 10.00 H new ATOM 552 N ARG A 50 -3.103 -6.124 3.715 1.00 10.00 N ATOM 553 CA ARG A 50 -3.820 -5.811 4.946 1.00 10.00 C ATOM 554 C ARG A 50 -5.241 -6.350 4.871 1.00 10.00 C ATOM 555 O ARG A 50 -5.816 -6.768 5.873 1.00 10.00 O ATOM 556 CB ARG A 50 -3.853 -4.302 5.196 1.00 10.00 C ATOM 557 CG ARG A 50 -2.506 -3.721 5.600 1.00 10.00 C ATOM 558 CD ARG A 50 -2.651 -2.333 6.208 1.00 10.00 C ATOM 559 NE ARG A 50 -1.368 -1.791 6.666 1.00 10.00 N ATOM 560 CZ ARG A 50 -1.250 -0.689 7.408 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.330 -0.015 7.781 1.00 10.00 N ATOM 562 NH2 ARG A 50 -0.051 -0.260 7.774 1.00 10.00 N ATOM 0 H ARG A 50 -2.918 -5.320 3.116 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.293 -6.285 5.774 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -4.199 -3.800 4.292 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.581 -4.088 5.979 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -2.024 -4.384 6.318 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.855 -3.670 4.727 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -3.085 -1.659 5.470 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -3.345 -2.377 7.047 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.516 -2.286 6.402 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -3.256 -0.339 7.500 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -2.235 0.827 8.348 1.00 10.00 H new ATOM 0 HH21 ARG A 50 0.783 -0.773 7.488 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.038 0.583 8.341 1.00 10.00 H new ATOM 576 N GLN A 51 -5.797 -6.342 3.671 1.00 10.00 N ATOM 577 CA GLN A 51 -7.150 -6.838 3.449 1.00 10.00 C ATOM 578 C GLN A 51 -7.156 -8.358 3.393 1.00 10.00 C ATOM 579 O GLN A 51 -8.150 -9.001 3.738 1.00 10.00 O ATOM 580 CB GLN A 51 -7.722 -6.262 2.151 1.00 10.00 C ATOM 581 CG GLN A 51 -7.818 -4.750 2.161 1.00 10.00 C ATOM 582 CD GLN A 51 -8.770 -4.243 3.225 1.00 10.00 C ATOM 583 OE1 GLN A 51 -8.383 -4.039 4.375 1.00 10.00 O ATOM 584 NE2 GLN A 51 -10.021 -4.035 2.849 1.00 10.00 N ATOM 0 H GLN A 51 -5.332 -5.997 2.831 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.776 -6.516 4.282 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.096 -6.574 1.315 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.713 -6.682 1.981 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.828 -4.326 2.330 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.151 -4.402 1.183 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.301 -4.217 1.885 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.706 -3.693 3.523 1.00 10.00 H new ATOM 593 N GLY A 52 -6.039 -8.925 2.959 1.00 10.00 N ATOM 594 CA GLY A 52 -5.926 -10.366 2.852 1.00 10.00 C ATOM 595 C GLY A 52 -6.597 -10.882 1.599 1.00 10.00 C ATOM 596 O GLY A 52 -7.142 -11.987 1.584 1.00 10.00 O ATOM 0 H GLY A 52 -5.205 -8.410 2.678 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.874 -10.650 2.846 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.378 -10.834 3.727 1.00 10.00 H new ATOM 600 N LEU A 53 -6.561 -10.077 0.548 1.00 10.00 N ATOM 601 CA LEU A 53 -7.175 -10.440 -0.719 1.00 10.00 C ATOM 602 C LEU A 53 -6.134 -10.444 -1.827 1.00 10.00 C ATOM 603 O LEU A 53 -5.003 -9.991 -1.630 1.00 10.00 O ATOM 604 CB LEU A 53 -8.296 -9.453 -1.071 1.00 10.00 C ATOM 605 CG LEU A 53 -9.354 -9.245 0.018 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.312 -8.134 -0.376 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.113 -10.536 0.279 1.00 10.00 C ATOM 0 H LEU A 53 -6.110 -9.162 0.549 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.598 -11.440 -0.622 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.847 -8.488 -1.307 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.794 -9.802 -1.976 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.847 -8.953 0.938 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.056 -8.000 0.409 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.757 -7.206 -0.512 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.811 -8.398 -1.308 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.860 -10.368 1.055 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.608 -10.859 -0.637 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.416 -11.308 0.606 1.00 10.00 H new ATOM 619 N SER A 54 -6.514 -10.960 -2.984 1.00 10.00 N ATOM 620 CA SER A 54 -5.621 -11.009 -4.126 1.00 10.00 C ATOM 621 C SER A 54 -5.635 -9.667 -4.848 1.00 10.00 C ATOM 622 O SER A 54 -6.676 -9.013 -4.936 1.00 10.00 O ATOM 623 CB SER A 54 -6.039 -12.130 -5.079 1.00 10.00 C ATOM 624 OG SER A 54 -5.110 -12.281 -6.137 1.00 10.00 O ATOM 0 H SER A 54 -7.440 -11.352 -3.156 1.00 10.00 H new ATOM 0 HA SER A 54 -4.609 -11.214 -3.777 1.00 10.00 H new ATOM 0 HB2 SER A 54 -6.121 -13.067 -4.528 1.00 10.00 H new ATOM 0 HB3 SER A 54 -7.026 -11.913 -5.487 1.00 10.00 H new ATOM 0 HG SER A 54 -5.403 -13.006 -6.728 1.00 10.00 H new ATOM 630 N MET A 55 -4.482 -9.264 -5.373 1.00 10.00 N ATOM 631 CA MET A 55 -4.364 -7.993 -6.082 1.00 10.00 C ATOM 632 C MET A 55 -5.186 -8.017 -7.368 1.00 10.00 C ATOM 633 O MET A 55 -5.540 -6.974 -7.917 1.00 10.00 O ATOM 634 CB MET A 55 -2.899 -7.692 -6.405 1.00 10.00 C ATOM 635 CG MET A 55 -2.647 -6.251 -6.823 1.00 10.00 C ATOM 636 SD MET A 55 -1.024 -6.019 -7.582 1.00 10.00 S ATOM 637 CE MET A 55 -1.257 -6.879 -9.140 1.00 10.00 C ATOM 0 H MET A 55 -3.615 -9.799 -5.321 1.00 10.00 H new ATOM 0 HA MET A 55 -4.750 -7.206 -5.434 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.290 -7.919 -5.530 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.569 -8.356 -7.204 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.420 -5.940 -7.526 1.00 10.00 H new ATOM 0 HG3 MET A 55 -2.731 -5.604 -5.950 1.00 10.00 H new ATOM 0 HE1 MET A 55 -0.587 -7.738 -9.185 1.00 10.00 H new ATOM 0 HE2 MET A 55 -2.290 -7.220 -9.217 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.036 -6.203 -9.966 1.00 10.00 H new ATOM 647 N ARG A 56 -5.498 -9.215 -7.837 1.00 10.00 N ATOM 648 CA ARG A 56 -6.278 -9.378 -9.052 1.00 10.00 C ATOM 649 C ARG A 56 -7.774 -9.366 -8.735 1.00 10.00 C ATOM 650 O ARG A 56 -8.615 -9.316 -9.637 1.00 10.00 O ATOM 651 CB ARG A 56 -5.886 -10.684 -9.747 1.00 10.00 C ATOM 652 CG ARG A 56 -6.463 -10.834 -11.146 1.00 10.00 C ATOM 653 CD ARG A 56 -5.826 -11.992 -11.896 1.00 10.00 C ATOM 654 NE ARG A 56 -6.486 -12.233 -13.175 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.938 -12.910 -14.181 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.714 -13.414 -14.063 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.612 -13.075 -15.311 1.00 10.00 N ATOM 0 H ARG A 56 -5.222 -10.091 -7.393 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.067 -8.544 -9.722 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.799 -10.742 -9.805 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.218 -11.523 -9.136 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.540 -10.991 -11.081 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.309 -9.910 -11.704 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.770 -11.780 -12.065 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -5.876 -12.893 -11.285 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.426 -11.859 -13.306 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.190 -13.283 -13.198 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -4.299 -13.932 -14.837 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -7.549 -12.683 -15.408 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.194 -13.594 -16.083 1.00 10.00 H new ATOM 671 N GLN A 57 -8.099 -9.381 -7.448 1.00 10.00 N ATOM 672 CA GLN A 57 -9.488 -9.387 -7.008 1.00 10.00 C ATOM 673 C GLN A 57 -10.049 -7.970 -6.918 1.00 10.00 C ATOM 674 O GLN A 57 -11.259 -7.767 -6.998 1.00 10.00 O ATOM 675 CB GLN A 57 -9.609 -10.085 -5.650 1.00 10.00 C ATOM 676 CG GLN A 57 -11.038 -10.446 -5.265 1.00 10.00 C ATOM 677 CD GLN A 57 -11.166 -10.863 -3.812 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.221 -11.377 -3.217 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.339 -10.649 -3.235 1.00 10.00 N ATOM 0 H GLN A 57 -7.417 -9.389 -6.689 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.071 -9.935 -7.748 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.007 -10.994 -5.665 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.189 -9.437 -4.881 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.687 -9.591 -5.452 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.388 -11.257 -5.904 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.097 -10.220 -3.765 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.484 -10.914 -2.261 1.00 10.00 H new ATOM 688 N ILE A 58 -9.174 -6.989 -6.744 1.00 10.00 N ATOM 689 CA ILE A 58 -9.607 -5.601 -6.642 1.00 10.00 C ATOM 690 C ILE A 58 -8.999 -4.753 -7.754 1.00 10.00 C ATOM 691 O ILE A 58 -8.157 -5.226 -8.517 1.00 10.00 O ATOM 692 CB ILE A 58 -9.250 -4.985 -5.270 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.763 -5.187 -4.952 1.00 10.00 C ATOM 694 CG2 ILE A 58 -10.122 -5.591 -4.178 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.332 -4.575 -3.636 1.00 10.00 C ATOM 0 H ILE A 58 -8.166 -7.126 -6.671 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.692 -5.604 -6.745 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.442 -3.913 -5.312 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.547 -6.255 -4.934 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.167 -4.755 -5.756 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.861 -5.149 -3.217 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -11.171 -5.390 -4.397 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.959 -6.668 -4.138 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -6.269 -4.759 -3.480 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.515 -3.501 -3.657 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.901 -5.024 -2.822 1.00 10.00 H new ATOM 707 N ARG A 59 -9.452 -3.510 -7.852 1.00 10.00 N ATOM 708 CA ARG A 59 -8.967 -2.578 -8.863 1.00 10.00 C ATOM 709 C ARG A 59 -8.786 -1.193 -8.260 1.00 10.00 C ATOM 710 O ARG A 59 -9.548 -0.786 -7.379 1.00 10.00 O ATOM 711 CB ARG A 59 -9.940 -2.496 -10.045 1.00 10.00 C ATOM 712 CG ARG A 59 -9.959 -3.736 -10.922 1.00 10.00 C ATOM 713 CD ARG A 59 -8.570 -4.071 -11.445 1.00 10.00 C ATOM 714 NE ARG A 59 -8.600 -5.169 -12.407 1.00 10.00 N ATOM 715 CZ ARG A 59 -8.591 -6.458 -12.069 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.553 -6.817 -10.790 1.00 10.00 N ATOM 717 NH2 ARG A 59 -8.614 -7.387 -13.011 1.00 10.00 N ATOM 0 H ARG A 59 -10.164 -3.120 -7.235 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.006 -2.946 -9.224 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -10.945 -2.320 -9.662 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -9.677 -1.634 -10.659 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.348 -4.580 -10.352 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -10.637 -3.579 -11.761 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.137 -3.188 -11.915 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -7.922 -4.338 -10.610 1.00 10.00 H new ATOM 0 HE ARG A 59 -8.630 -4.935 -13.399 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.531 -6.104 -10.061 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.546 -7.805 -10.538 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -8.639 -7.116 -13.994 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -8.607 -8.374 -12.754 1.00 10.00 H new ATOM 731 N PHE A 60 -7.782 -0.475 -8.742 1.00 10.00 N ATOM 732 CA PHE A 60 -7.497 0.865 -8.253 1.00 10.00 C ATOM 733 C PHE A 60 -7.747 1.895 -9.349 1.00 10.00 C ATOM 734 O PHE A 60 -7.339 1.709 -10.499 1.00 10.00 O ATOM 735 CB PHE A 60 -6.053 0.956 -7.759 1.00 10.00 C ATOM 736 CG PHE A 60 -5.842 0.346 -6.398 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.978 -1.020 -6.205 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.506 1.140 -5.315 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.783 -1.581 -4.958 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.309 0.584 -4.066 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.448 -0.778 -3.887 1.00 10.00 C ATOM 0 H PHE A 60 -7.150 -0.800 -9.474 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.164 1.077 -7.418 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.400 0.458 -8.476 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.753 2.004 -7.729 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -6.240 -1.653 -7.040 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -5.397 2.206 -5.448 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.893 -2.647 -4.821 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.046 1.215 -3.229 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.295 -1.214 -2.911 1.00 10.00 H new ATOM 751 N ARG A 61 -8.422 2.976 -8.990 1.00 10.00 N ATOM 752 CA ARG A 61 -8.741 4.032 -9.939 1.00 10.00 C ATOM 753 C ARG A 61 -8.288 5.396 -9.437 1.00 10.00 C ATOM 754 O ARG A 61 -8.368 5.694 -8.244 1.00 10.00 O ATOM 755 CB ARG A 61 -10.248 4.084 -10.196 1.00 10.00 C ATOM 756 CG ARG A 61 -10.763 3.009 -11.136 1.00 10.00 C ATOM 757 CD ARG A 61 -12.251 3.184 -11.393 1.00 10.00 C ATOM 758 NE ARG A 61 -12.771 2.200 -12.335 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.987 2.263 -12.878 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.809 3.263 -12.571 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.374 1.336 -13.742 1.00 10.00 N ATOM 0 H ARG A 61 -8.761 3.146 -8.043 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.210 3.800 -10.862 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.770 3.996 -9.243 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.500 5.061 -10.608 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.219 3.053 -12.079 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.577 2.025 -10.707 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.792 3.102 -10.450 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.435 4.186 -11.780 1.00 10.00 H new ATOM 0 HE ARG A 61 -12.169 1.418 -12.594 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.510 3.987 -11.917 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.738 3.306 -12.989 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.742 0.575 -13.991 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.304 1.383 -14.158 1.00 10.00 H new ATOM 775 N PHE A 62 -7.816 6.218 -10.361 1.00 10.00 N ATOM 776 CA PHE A 62 -7.382 7.568 -10.050 1.00 10.00 C ATOM 777 C PHE A 62 -7.967 8.518 -11.083 1.00 10.00 C ATOM 778 O PHE A 62 -7.715 8.365 -12.281 1.00 10.00 O ATOM 779 CB PHE A 62 -5.859 7.675 -10.040 1.00 10.00 C ATOM 780 CG PHE A 62 -5.366 8.960 -9.439 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.511 9.199 -8.083 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.765 9.927 -10.227 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.065 10.382 -7.524 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.318 11.110 -9.674 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.468 11.338 -8.321 1.00 10.00 C ATOM 0 H PHE A 62 -7.724 5.967 -11.345 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.735 7.832 -9.053 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.445 6.836 -9.481 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.488 7.592 -11.061 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.977 8.454 -7.456 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.645 9.754 -11.286 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.183 10.558 -6.465 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.851 11.857 -10.299 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.119 12.263 -7.886 1.00 10.00 H new ATOM 795 N ASP A 63 -8.783 9.464 -10.619 1.00 10.00 N ATOM 796 CA ASP A 63 -9.432 10.443 -11.497 1.00 10.00 C ATOM 797 C ASP A 63 -10.417 9.745 -12.442 1.00 10.00 C ATOM 798 O ASP A 63 -10.909 10.329 -13.407 1.00 10.00 O ATOM 799 CB ASP A 63 -8.381 11.234 -12.294 1.00 10.00 C ATOM 800 CG ASP A 63 -8.972 12.404 -13.058 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.562 13.300 -12.421 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.846 12.434 -14.303 1.00 10.00 O ATOM 0 H ASP A 63 -9.013 9.575 -9.631 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.990 11.146 -10.878 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.617 11.603 -11.610 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.884 10.563 -12.995 1.00 10.00 H new ATOM 807 N GLY A 64 -10.719 8.492 -12.136 1.00 10.00 N ATOM 808 CA GLY A 64 -11.625 7.722 -12.962 1.00 10.00 C ATOM 809 C GLY A 64 -10.882 6.792 -13.895 1.00 10.00 C ATOM 810 O GLY A 64 -11.478 5.918 -14.522 1.00 10.00 O ATOM 0 H GLY A 64 -10.351 7.993 -11.326 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.292 7.141 -12.325 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.250 8.399 -13.545 1.00 10.00 H new ATOM 814 N GLN A 65 -9.572 6.975 -13.983 1.00 10.00 N ATOM 815 CA GLN A 65 -8.738 6.155 -14.848 1.00 10.00 C ATOM 816 C GLN A 65 -8.102 5.024 -14.044 1.00 10.00 C ATOM 817 O GLN A 65 -7.674 5.236 -12.912 1.00 10.00 O ATOM 818 CB GLN A 65 -7.635 7.004 -15.495 1.00 10.00 C ATOM 819 CG GLN A 65 -8.089 8.393 -15.919 1.00 10.00 C ATOM 820 CD GLN A 65 -9.216 8.366 -16.933 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.335 7.434 -17.730 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.053 9.392 -16.912 1.00 10.00 N ATOM 0 H GLN A 65 -9.062 7.689 -13.462 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.367 5.734 -15.632 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.808 7.103 -14.792 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.250 6.477 -16.368 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.414 8.947 -15.038 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.241 8.933 -16.341 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -9.921 10.144 -16.236 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -10.830 9.430 -17.572 1.00 10.00 H new ATOM 831 N PRO A 66 -8.045 3.806 -14.602 1.00 10.00 N ATOM 832 CA PRO A 66 -7.437 2.662 -13.921 1.00 10.00 C ATOM 833 C PRO A 66 -5.921 2.811 -13.815 1.00 10.00 C ATOM 834 O PRO A 66 -5.246 3.132 -14.801 1.00 10.00 O ATOM 835 CB PRO A 66 -7.793 1.461 -14.812 1.00 10.00 C ATOM 836 CG PRO A 66 -8.816 1.965 -15.774 1.00 10.00 C ATOM 837 CD PRO A 66 -8.569 3.437 -15.923 1.00 10.00 C ATOM 0 HA PRO A 66 -7.800 2.559 -12.898 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.913 1.087 -15.336 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.186 0.635 -14.219 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.729 1.457 -16.735 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.824 1.776 -15.404 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.854 3.650 -16.717 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.483 3.980 -16.163 1.00 10.00 H new ATOM 845 N ILE A 67 -5.390 2.587 -12.622 1.00 10.00 N ATOM 846 CA ILE A 67 -3.958 2.701 -12.396 1.00 10.00 C ATOM 847 C ILE A 67 -3.258 1.398 -12.764 1.00 10.00 C ATOM 848 O ILE A 67 -3.779 0.310 -12.502 1.00 10.00 O ATOM 849 CB ILE A 67 -3.640 3.054 -10.927 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.594 4.137 -10.412 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.196 3.517 -10.794 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.411 4.452 -8.943 1.00 10.00 C ATOM 0 H ILE A 67 -5.929 2.326 -11.797 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.592 3.508 -13.031 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.778 2.158 -10.322 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.445 5.048 -10.992 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.622 3.816 -10.582 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -1.987 3.762 -9.753 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.527 2.721 -11.121 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.039 4.400 -11.413 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.118 5.227 -8.646 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.589 3.553 -8.353 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.394 4.804 -8.770 1.00 10.00 H new ATOM 864 N ASN A 68 -2.093 1.505 -13.385 1.00 10.00 N ATOM 865 CA ASN A 68 -1.333 0.331 -13.783 1.00 10.00 C ATOM 866 C ASN A 68 -0.164 0.114 -12.833 1.00 10.00 C ATOM 867 O ASN A 68 0.177 0.994 -12.042 1.00 10.00 O ATOM 868 CB ASN A 68 -0.819 0.474 -15.220 1.00 10.00 C ATOM 869 CG ASN A 68 -1.842 0.036 -16.250 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.028 -1.156 -16.488 1.00 10.00 O ATOM 871 ND2 ASN A 68 -2.502 0.997 -16.876 1.00 10.00 N ATOM 0 H ASN A 68 -1.653 2.394 -13.624 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.995 -0.534 -13.738 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.546 1.513 -15.403 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.088 -0.119 -15.339 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -3.195 0.761 -17.586 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -2.318 1.974 -16.649 1.00 10.00 H new ATOM 878 N GLU A 69 0.460 -1.051 -12.923 1.00 10.00 N ATOM 879 CA GLU A 69 1.594 -1.383 -12.065 1.00 10.00 C ATOM 880 C GLU A 69 2.847 -0.631 -12.505 1.00 10.00 C ATOM 881 O GLU A 69 3.886 -0.702 -11.854 1.00 10.00 O ATOM 882 CB GLU A 69 1.854 -2.887 -12.094 1.00 10.00 C ATOM 883 CG GLU A 69 0.684 -3.709 -11.586 1.00 10.00 C ATOM 884 CD GLU A 69 0.745 -5.145 -12.051 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.324 -5.985 -11.330 1.00 10.00 O ATOM 886 OE2 GLU A 69 0.216 -5.435 -13.142 1.00 10.00 O ATOM 0 H GLU A 69 0.202 -1.785 -13.582 1.00 10.00 H new ATOM 0 HA GLU A 69 1.350 -1.081 -11.047 1.00 10.00 H new ATOM 0 HB2 GLU A 69 2.085 -3.189 -13.116 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.734 -3.108 -11.490 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.671 -3.683 -10.496 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.248 -3.259 -11.927 1.00 10.00 H new ATOM 893 N THR A 70 2.736 0.082 -13.614 1.00 10.00 N ATOM 894 CA THR A 70 3.842 0.854 -14.148 1.00 10.00 C ATOM 895 C THR A 70 3.601 2.347 -13.946 1.00 10.00 C ATOM 896 O THR A 70 4.169 3.186 -14.648 1.00 10.00 O ATOM 897 CB THR A 70 4.024 0.556 -15.645 1.00 10.00 C ATOM 898 OG1 THR A 70 2.773 0.122 -16.207 1.00 10.00 O ATOM 899 CG2 THR A 70 5.081 -0.519 -15.854 1.00 10.00 C ATOM 0 H THR A 70 1.880 0.141 -14.166 1.00 10.00 H new ATOM 0 HA THR A 70 4.748 0.569 -13.613 1.00 10.00 H new ATOM 0 HB THR A 70 4.353 1.468 -16.144 1.00 10.00 H new ATOM 0 HG1 THR A 70 2.891 -0.066 -17.162 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.195 -0.715 -16.920 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.032 -0.179 -15.444 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.774 -1.434 -15.347 1.00 10.00 H new ATOM 907 N ASP A 71 2.752 2.675 -12.980 1.00 10.00 N ATOM 908 CA ASP A 71 2.427 4.066 -12.692 1.00 10.00 C ATOM 909 C ASP A 71 3.130 4.548 -11.432 1.00 10.00 C ATOM 910 O ASP A 71 3.422 3.767 -10.526 1.00 10.00 O ATOM 911 CB ASP A 71 0.918 4.252 -12.539 1.00 10.00 C ATOM 912 CG ASP A 71 0.221 4.435 -13.869 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.698 5.252 -14.684 1.00 10.00 O ATOM 914 OD2 ASP A 71 -0.805 3.767 -14.104 1.00 10.00 O ATOM 0 H ASP A 71 2.277 1.998 -12.384 1.00 10.00 H new ATOM 0 HA ASP A 71 2.776 4.662 -13.536 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.498 3.386 -12.028 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.724 5.119 -11.908 1.00 10.00 H new ATOM 919 N THR A 72 3.401 5.839 -11.390 1.00 10.00 N ATOM 920 CA THR A 72 4.063 6.454 -10.257 1.00 10.00 C ATOM 921 C THR A 72 3.388 7.788 -9.927 1.00 10.00 C ATOM 922 O THR A 72 2.652 8.327 -10.758 1.00 10.00 O ATOM 923 CB THR A 72 5.559 6.680 -10.558 1.00 10.00 C ATOM 924 OG1 THR A 72 5.785 6.653 -11.975 1.00 10.00 O ATOM 925 CG2 THR A 72 6.425 5.622 -9.881 1.00 10.00 C ATOM 0 H THR A 72 3.168 6.490 -12.140 1.00 10.00 H new ATOM 0 HA THR A 72 3.982 5.786 -9.400 1.00 10.00 H new ATOM 0 HB THR A 72 5.837 7.657 -10.162 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.737 6.799 -12.157 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.474 5.808 -10.112 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.277 5.667 -8.802 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.143 4.634 -10.245 1.00 10.00 H new ATOM 933 N PRO A 73 3.611 8.342 -8.720 1.00 10.00 N ATOM 934 CA PRO A 73 3.009 9.620 -8.309 1.00 10.00 C ATOM 935 C PRO A 73 3.273 10.745 -9.311 1.00 10.00 C ATOM 936 O PRO A 73 2.360 11.477 -9.692 1.00 10.00 O ATOM 937 CB PRO A 73 3.694 9.924 -6.975 1.00 10.00 C ATOM 938 CG PRO A 73 4.103 8.595 -6.449 1.00 10.00 C ATOM 939 CD PRO A 73 4.454 7.767 -7.652 1.00 10.00 C ATOM 0 HA PRO A 73 1.923 9.551 -8.243 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.555 10.578 -7.112 1.00 10.00 H new ATOM 0 HB3 PRO A 73 3.016 10.430 -6.288 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.955 8.687 -5.776 1.00 10.00 H new ATOM 0 HG3 PRO A 73 3.295 8.135 -5.880 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.514 7.839 -7.894 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.235 6.711 -7.491 1.00 10.00 H new ATOM 947 N ALA A 74 4.518 10.863 -9.758 1.00 10.00 N ATOM 948 CA ALA A 74 4.886 11.903 -10.712 1.00 10.00 C ATOM 949 C ALA A 74 4.393 11.564 -12.116 1.00 10.00 C ATOM 950 O ALA A 74 4.232 12.445 -12.957 1.00 10.00 O ATOM 951 CB ALA A 74 6.390 12.115 -10.710 1.00 10.00 C ATOM 0 H ALA A 74 5.287 10.254 -9.477 1.00 10.00 H new ATOM 0 HA ALA A 74 4.403 12.830 -10.404 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.649 12.894 -11.427 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.714 12.417 -9.714 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.889 11.186 -10.988 1.00 10.00 H new ATOM 957 N GLN A 75 4.128 10.286 -12.355 1.00 10.00 N ATOM 958 CA GLN A 75 3.651 9.828 -13.655 1.00 10.00 C ATOM 959 C GLN A 75 2.209 10.275 -13.875 1.00 10.00 C ATOM 960 O GLN A 75 1.792 10.558 -15.000 1.00 10.00 O ATOM 961 CB GLN A 75 3.748 8.304 -13.738 1.00 10.00 C ATOM 962 CG GLN A 75 3.682 7.748 -15.149 1.00 10.00 C ATOM 963 CD GLN A 75 4.852 8.184 -16.006 1.00 10.00 C ATOM 964 OE1 GLN A 75 5.930 8.497 -15.497 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.655 8.190 -17.311 1.00 10.00 N ATOM 0 H GLN A 75 4.236 9.545 -11.663 1.00 10.00 H new ATOM 0 HA GLN A 75 4.275 10.266 -14.434 1.00 10.00 H new ATOM 0 HB2 GLN A 75 4.684 7.986 -13.278 1.00 10.00 H new ATOM 0 HB3 GLN A 75 2.940 7.868 -13.150 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.655 6.659 -15.105 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.753 8.071 -15.619 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.747 7.924 -17.691 1.00 10.00 H new ATOM 0 HE22 GLN A 75 5.411 8.461 -17.940 1.00 10.00 H new ATOM 974 N LEU A 76 1.450 10.334 -12.786 1.00 10.00 N ATOM 975 CA LEU A 76 0.056 10.753 -12.845 1.00 10.00 C ATOM 976 C LEU A 76 -0.096 12.188 -12.351 1.00 10.00 C ATOM 977 O LEU A 76 -1.213 12.706 -12.256 1.00 10.00 O ATOM 978 CB LEU A 76 -0.818 9.817 -12.006 1.00 10.00 C ATOM 979 CG LEU A 76 -1.137 8.467 -12.654 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.649 7.488 -11.610 1.00 10.00 C ATOM 981 CD2 LEU A 76 -2.159 8.632 -13.770 1.00 10.00 C ATOM 0 H LEU A 76 1.779 10.096 -11.850 1.00 10.00 H new ATOM 0 HA LEU A 76 -0.270 10.705 -13.884 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.319 9.636 -11.054 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.756 10.325 -11.782 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.219 8.070 -13.087 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.872 6.533 -12.085 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.888 7.343 -10.843 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.555 7.885 -11.152 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -2.371 7.660 -14.216 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -3.078 9.052 -13.362 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -1.761 9.302 -14.532 1.00 10.00 H new ATOM 993 N GLU A 77 1.040 12.819 -12.043 1.00 10.00 N ATOM 994 CA GLU A 77 1.068 14.194 -11.544 1.00 10.00 C ATOM 995 C GLU A 77 0.206 14.334 -10.293 1.00 10.00 C ATOM 996 O GLU A 77 -0.503 15.327 -10.114 1.00 10.00 O ATOM 997 CB GLU A 77 0.603 15.173 -12.628 1.00 10.00 C ATOM 998 CG GLU A 77 1.618 15.375 -13.745 1.00 10.00 C ATOM 999 CD GLU A 77 2.929 15.959 -13.253 1.00 10.00 C ATOM 1000 OE1 GLU A 77 2.961 16.522 -12.138 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.940 15.859 -13.980 1.00 10.00 O ATOM 0 H GLU A 77 1.962 12.392 -12.132 1.00 10.00 H new ATOM 0 HA GLU A 77 2.097 14.437 -11.279 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.330 14.809 -13.058 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.387 16.137 -12.167 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.812 14.418 -14.230 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.193 16.036 -14.501 1.00 10.00 H new ATOM 1008 N MET A 78 0.299 13.337 -9.425 1.00 10.00 N ATOM 1009 CA MET A 78 -0.469 13.307 -8.186 1.00 10.00 C ATOM 1010 C MET A 78 0.118 14.265 -7.166 1.00 10.00 C ATOM 1011 O MET A 78 1.333 14.442 -7.098 1.00 10.00 O ATOM 1012 CB MET A 78 -0.481 11.888 -7.614 1.00 10.00 C ATOM 1013 CG MET A 78 -1.011 10.851 -8.585 1.00 10.00 C ATOM 1014 SD MET A 78 -0.490 9.174 -8.174 1.00 10.00 S ATOM 1015 CE MET A 78 -1.344 8.924 -6.621 1.00 10.00 C ATOM 0 H MET A 78 0.906 12.528 -9.558 1.00 10.00 H new ATOM 0 HA MET A 78 -1.490 13.618 -8.407 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.532 11.615 -7.319 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.090 11.874 -6.710 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.100 10.895 -8.597 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.671 11.095 -9.591 1.00 10.00 H new ATOM 0 HE1 MET A 78 -0.973 8.017 -6.144 1.00 10.00 H new ATOM 0 HE2 MET A 78 -1.166 9.777 -5.967 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.414 8.825 -6.806 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.751 14.867 -6.376 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.333 15.807 -5.353 1.00 10.00 C ATOM 1027 C GLU A 79 -0.789 15.313 -3.991 1.00 10.00 C ATOM 1028 O GLU A 79 -1.367 14.229 -3.877 1.00 10.00 O ATOM 1029 CB GLU A 79 -0.925 17.192 -5.631 1.00 10.00 C ATOM 1030 CG GLU A 79 -0.485 17.792 -6.954 1.00 10.00 C ATOM 1031 CD GLU A 79 0.925 18.339 -6.907 1.00 10.00 C ATOM 1032 OE1 GLU A 79 1.089 19.576 -6.853 1.00 10.00 O ATOM 1033 OE2 GLU A 79 1.880 17.539 -6.923 1.00 10.00 O ATOM 0 H GLU A 79 -1.759 14.720 -6.424 1.00 10.00 H new ATOM 0 HA GLU A 79 0.754 15.884 -5.364 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.013 17.121 -5.619 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -0.640 17.867 -4.824 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -0.550 17.032 -7.732 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -1.172 18.592 -7.232 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.535 16.095 -2.954 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.953 15.709 -1.616 1.00 10.00 C ATOM 1042 C ASP A 80 -2.455 15.927 -1.483 1.00 10.00 C ATOM 1043 O ASP A 80 -3.043 16.678 -2.267 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.199 16.504 -0.549 1.00 10.00 C ATOM 1045 CG ASP A 80 -0.158 15.788 0.790 1.00 10.00 C ATOM 1046 OD1 ASP A 80 0.868 15.137 1.089 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -1.148 15.872 1.547 1.00 10.00 O ATOM 0 H ASP A 80 -0.048 16.989 -3.011 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.720 14.655 -1.462 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.820 16.688 -0.890 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.674 17.477 -0.423 1.00 10.00 H new ATOM 1052 N GLU A 81 -3.068 15.256 -0.510 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.514 15.350 -0.268 1.00 10.00 C ATOM 1054 C GLU A 81 -5.306 14.607 -1.346 1.00 10.00 C ATOM 1055 O GLU A 81 -6.539 14.616 -1.337 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.974 16.809 -0.180 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.846 17.408 1.213 1.00 10.00 C ATOM 1058 CD GLU A 81 -6.153 17.384 1.977 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -7.014 18.249 1.719 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -6.330 16.500 2.843 1.00 10.00 O ATOM 0 H GLU A 81 -2.581 14.632 0.134 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.711 14.874 0.692 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.389 17.408 -0.878 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.014 16.873 -0.499 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.091 16.857 1.774 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -4.495 18.437 1.132 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.596 13.956 -2.267 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.241 13.202 -3.339 1.00 10.00 C ATOM 1069 C ASP A 82 -5.754 11.869 -2.807 1.00 10.00 C ATOM 1070 O ASP A 82 -5.201 11.316 -1.851 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.275 12.971 -4.508 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.359 14.061 -5.561 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.321 14.859 -5.528 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.460 14.136 -6.426 1.00 10.00 O ATOM 0 H ASP A 82 -3.576 13.936 -2.292 1.00 10.00 H new ATOM 0 HA ASP A 82 -6.084 13.786 -3.707 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.255 12.918 -4.126 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.493 12.008 -4.970 1.00 10.00 H new ATOM 1079 N THR A 83 -6.809 11.356 -3.420 1.00 10.00 N ATOM 1080 CA THR A 83 -7.405 10.103 -2.984 1.00 10.00 C ATOM 1081 C THR A 83 -7.525 9.100 -4.131 1.00 10.00 C ATOM 1082 O THR A 83 -7.916 9.454 -5.244 1.00 10.00 O ATOM 1083 CB THR A 83 -8.805 10.348 -2.382 1.00 10.00 C ATOM 1084 OG1 THR A 83 -8.744 11.396 -1.404 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.353 9.085 -1.737 1.00 10.00 C ATOM 0 H THR A 83 -7.270 11.788 -4.221 1.00 10.00 H new ATOM 0 HA THR A 83 -6.743 9.685 -2.225 1.00 10.00 H new ATOM 0 HB THR A 83 -9.472 10.641 -3.193 1.00 10.00 H new ATOM 0 HG1 THR A 83 -9.637 11.546 -1.029 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.340 9.288 -1.321 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.429 8.297 -2.487 1.00 10.00 H new ATOM 0 HG23 THR A 83 -8.683 8.763 -0.940 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.178 7.849 -3.849 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.267 6.780 -4.831 1.00 10.00 C ATOM 1095 C ILE A 84 -8.488 5.917 -4.523 1.00 10.00 C ATOM 1096 O ILE A 84 -8.736 5.570 -3.366 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.990 5.912 -4.847 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -4.783 6.760 -5.268 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.160 4.724 -5.783 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.480 5.991 -5.321 1.00 10.00 C ATOM 0 H ILE A 84 -6.829 7.551 -2.938 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.368 7.228 -5.820 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.816 5.529 -3.841 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.979 7.191 -6.250 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -4.675 7.591 -4.571 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.249 4.125 -5.780 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -6.997 4.113 -5.447 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.355 5.082 -6.794 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -2.675 6.660 -5.626 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.258 5.583 -4.335 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.567 5.176 -6.040 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.254 5.593 -5.552 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.462 4.796 -5.384 1.00 10.00 C ATOM 1114 C ASP A 85 -10.169 3.313 -5.534 1.00 10.00 C ATOM 1115 O ASP A 85 -9.424 2.903 -6.422 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.524 5.215 -6.401 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.025 6.627 -6.181 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.031 6.802 -5.464 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -11.428 7.571 -6.741 1.00 10.00 O ATOM 0 H ASP A 85 -9.062 5.869 -6.515 1.00 10.00 H new ATOM 0 HA ASP A 85 -10.837 4.974 -4.376 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.110 5.134 -7.406 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.365 4.524 -6.347 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.761 2.514 -4.659 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.574 1.070 -4.686 1.00 10.00 C ATOM 1126 C VAL A 86 -11.910 0.368 -4.915 1.00 10.00 C ATOM 1127 O VAL A 86 -12.880 0.611 -4.194 1.00 10.00 O ATOM 1128 CB VAL A 86 -9.948 0.550 -3.374 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.596 -0.927 -3.490 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.719 1.362 -2.996 1.00 10.00 C ATOM 0 H VAL A 86 -11.379 2.843 -3.917 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.891 0.848 -5.506 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.689 0.666 -2.583 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.156 -1.271 -2.554 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.499 -1.501 -3.699 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.880 -1.068 -4.300 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.298 0.974 -2.068 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -7.976 1.289 -3.790 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.001 2.406 -2.858 1.00 10.00 H new ATOM 1140 N PHE A 87 -11.958 -0.481 -5.932 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.165 -1.227 -6.263 1.00 10.00 C ATOM 1142 C PHE A 87 -12.850 -2.717 -6.333 1.00 10.00 C ATOM 1143 O PHE A 87 -11.692 -3.102 -6.476 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.740 -0.761 -7.607 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.237 0.658 -7.604 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.528 0.951 -7.191 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.417 1.697 -8.013 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.990 2.254 -7.190 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.874 3.000 -8.013 1.00 10.00 C ATOM 1150 CZ PHE A 87 -15.161 3.280 -7.600 1.00 10.00 C ATOM 0 H PHE A 87 -11.167 -0.672 -6.548 1.00 10.00 H new ATOM 0 HA PHE A 87 -13.905 -1.046 -5.484 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -12.972 -0.864 -8.374 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.561 -1.421 -7.887 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.179 0.153 -6.867 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.408 1.485 -8.336 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.998 2.470 -6.869 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.224 3.800 -8.336 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.519 4.299 -7.597 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.871 -3.549 -6.227 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.688 -4.990 -6.296 1.00 10.00 C ATOM 1162 C GLN A 88 -14.058 -5.495 -7.685 1.00 10.00 C ATOM 1163 O GLN A 88 -14.910 -4.910 -8.357 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.533 -5.702 -5.235 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.186 -5.303 -3.807 1.00 10.00 C ATOM 1166 CD GLN A 88 -14.764 -6.252 -2.776 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -14.917 -7.447 -3.025 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -15.079 -5.728 -1.600 1.00 10.00 N ATOM 0 H GLN A 88 -14.837 -3.252 -6.093 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.639 -5.212 -6.100 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.586 -5.487 -5.417 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.404 -6.779 -5.343 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -13.102 -5.270 -3.697 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -14.557 -4.296 -3.616 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -14.938 -4.732 -1.431 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -15.463 -6.321 -0.864 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.410 -6.563 -8.124 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.684 -7.135 -9.432 1.00 10.00 C ATOM 1179 C GLN A 89 -14.870 -8.088 -9.349 1.00 10.00 C ATOM 1180 O GLN A 89 -14.951 -8.921 -8.443 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.446 -7.857 -9.975 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.590 -8.324 -11.416 1.00 10.00 C ATOM 1183 CD GLN A 89 -13.004 -7.211 -12.368 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.667 -6.041 -12.167 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.744 -7.572 -13.405 1.00 10.00 N ATOM 0 H GLN A 89 -12.690 -7.051 -7.592 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.934 -6.328 -10.121 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.587 -7.190 -9.903 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.233 -8.719 -9.343 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.642 -8.746 -11.751 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.329 -9.124 -11.460 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -14.000 -8.551 -13.533 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -14.058 -6.871 -14.076 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.788 -7.941 -10.292 1.00 10.00 N ATOM 1195 CA GLN A 90 -16.989 -8.763 -10.349 1.00 10.00 C ATOM 1196 C GLN A 90 -16.650 -10.237 -10.534 1.00 10.00 C ATOM 1197 O GLN A 90 -15.709 -10.589 -11.248 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.899 -8.295 -11.485 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.625 -6.988 -11.192 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.710 -5.780 -11.210 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.715 -5.744 -11.936 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -18.043 -4.778 -10.413 1.00 10.00 N ATOM 0 H GLN A 90 -15.722 -7.250 -11.039 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.510 -8.651 -9.398 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.303 -8.174 -12.389 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.636 -9.071 -11.691 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.417 -6.847 -11.928 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -19.105 -7.057 -10.216 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.875 -4.847 -9.827 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.468 -3.936 -10.384 1.00 10.00 H new ATOM 1211 N THR A 91 -17.427 -11.088 -9.887 1.00 10.00 N ATOM 1212 CA THR A 91 -17.231 -12.523 -9.957 1.00 10.00 C ATOM 1213 C THR A 91 -18.110 -13.143 -11.036 1.00 10.00 C ATOM 1214 O THR A 91 -17.862 -14.260 -11.492 1.00 10.00 O ATOM 1215 CB THR A 91 -17.566 -13.169 -8.606 1.00 10.00 C ATOM 1216 OG1 THR A 91 -18.542 -12.368 -7.925 1.00 10.00 O ATOM 1217 CG2 THR A 91 -16.320 -13.301 -7.746 1.00 10.00 C ATOM 0 H THR A 91 -18.210 -10.803 -9.299 1.00 10.00 H new ATOM 0 HA THR A 91 -16.185 -12.705 -10.205 1.00 10.00 H new ATOM 0 HB THR A 91 -17.966 -14.167 -8.785 1.00 10.00 H new ATOM 0 HG1 THR A 91 -18.759 -12.780 -7.062 1.00 10.00 H new ATOM 0 HG21 THR A 91 -16.582 -13.761 -6.794 1.00 10.00 H new ATOM 0 HG22 THR A 91 -15.587 -13.923 -8.260 1.00 10.00 H new ATOM 0 HG23 THR A 91 -15.895 -12.313 -7.567 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.141 -12.415 -11.435 1.00 10.00 N ATOM 1226 CA GLY A 92 -20.049 -12.906 -12.452 1.00 10.00 C ATOM 1227 C GLY A 92 -21.382 -13.342 -11.874 1.00 10.00 C ATOM 1228 O GLY A 92 -21.611 -13.223 -10.663 1.00 10.00 O ATOM 0 H GLY A 92 -19.367 -11.489 -11.072 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -20.216 -12.125 -13.194 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.589 -13.747 -12.971 1.00 10.00 H new ATOM 1233 N ASP B 195 -14.785 5.207 14.801 1.00 10.00 N ATOM 1234 CA ASP B 195 -14.349 5.227 13.410 1.00 10.00 C ATOM 1235 C ASP B 195 -13.057 4.446 13.269 1.00 10.00 C ATOM 1236 O ASP B 195 -12.410 4.123 14.269 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.135 6.664 12.932 1.00 10.00 C ATOM 1238 CG ASP B 195 -15.261 7.158 12.048 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -15.485 8.386 11.992 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -15.928 6.322 11.405 1.00 10.00 O ATOM 0 HA ASP B 195 -15.124 4.768 12.796 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.043 7.321 13.797 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.195 6.724 12.384 1.00 10.00 H new ATOM 1245 N THR B 196 -12.673 4.140 12.042 1.00 10.00 N ATOM 1246 CA THR B 196 -11.450 3.404 11.821 1.00 10.00 C ATOM 1247 C THR B 196 -10.473 4.226 10.990 1.00 10.00 C ATOM 1248 O THR B 196 -10.807 4.696 9.902 1.00 10.00 O ATOM 1249 CB THR B 196 -11.737 2.079 11.101 1.00 10.00 C ATOM 1250 OG1 THR B 196 -12.953 1.504 11.602 1.00 10.00 O ATOM 1251 CG2 THR B 196 -10.591 1.101 11.300 1.00 10.00 C ATOM 0 H THR B 196 -13.186 4.388 11.196 1.00 10.00 H new ATOM 0 HA THR B 196 -11.007 3.194 12.794 1.00 10.00 H new ATOM 0 HB THR B 196 -11.842 2.282 10.035 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.131 0.660 11.137 1.00 10.00 H new ATOM 0 HG21 THR B 196 -10.814 0.168 10.782 1.00 10.00 H new ATOM 0 HG22 THR B 196 -9.673 1.529 10.897 1.00 10.00 H new ATOM 0 HG23 THR B 196 -10.462 0.903 12.364 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.265 4.385 11.513 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.218 5.135 10.834 1.00 10.00 C ATOM 1261 C ALA B 197 -7.014 4.232 10.625 1.00 10.00 C ATOM 1262 O ALA B 197 -6.551 3.589 11.563 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.824 6.371 11.637 1.00 10.00 C ATOM 0 H ALA B 197 -8.984 4.000 12.415 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.593 5.473 9.868 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -7.040 6.914 11.108 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.693 7.017 11.760 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.457 6.066 12.617 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.515 4.188 9.403 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.385 3.345 9.090 1.00 10.00 C ATOM 1271 C GLY B 198 -4.219 4.132 8.540 1.00 10.00 C ATOM 1272 O GLY B 198 -4.404 4.993 7.686 1.00 10.00 O ATOM 0 H GLY B 198 -6.876 4.726 8.616 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.071 2.814 9.988 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.687 2.591 8.363 1.00 10.00 H new ATOM 1276 N CYS B 199 -3.025 3.871 9.044 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.845 4.564 8.559 1.00 10.00 C ATOM 1278 C CYS B 199 -0.901 3.541 7.937 1.00 10.00 C ATOM 1279 O CYS B 199 -0.550 2.542 8.562 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.167 5.311 9.712 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.337 6.065 10.869 1.00 10.00 S ATOM 0 H CYS B 199 -2.848 3.190 9.783 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.122 5.299 7.804 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.525 4.618 10.256 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.522 6.088 9.302 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.683 6.674 11.813 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.543 3.765 6.681 1.00 10.00 N ATOM 1288 CA ILE B 200 0.338 2.861 5.965 1.00 10.00 C ATOM 1289 C ILE B 200 1.543 3.617 5.378 1.00 10.00 C ATOM 1290 O ILE B 200 1.382 4.673 4.759 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.466 2.126 4.863 1.00 10.00 C ATOM 1292 CG1 ILE B 200 0.261 0.878 4.357 1.00 10.00 C ATOM 1293 CG2 ILE B 200 -0.783 3.053 3.711 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -0.472 0.184 3.231 1.00 10.00 C ATOM 0 H ILE B 200 -0.852 4.570 6.136 1.00 10.00 H new ATOM 0 HA ILE B 200 0.735 2.120 6.659 1.00 10.00 H new ATOM 0 HB ILE B 200 -1.402 1.802 5.318 1.00 10.00 H new ATOM 0 HG12 ILE B 200 1.258 1.158 4.016 1.00 10.00 H new ATOM 0 HG13 ILE B 200 0.391 0.180 5.184 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -1.348 2.511 2.952 1.00 10.00 H new ATOM 0 HG22 ILE B 200 -1.375 3.893 4.073 1.00 10.00 H new ATOM 0 HG23 ILE B 200 0.145 3.424 3.276 1.00 10.00 H new ATOM 0 HD11 ILE B 200 0.093 -0.693 2.915 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -1.459 -0.125 3.575 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -0.579 0.869 2.390 1.00 10.00 H new ATOM 1306 N VAL B 201 2.752 3.127 5.619 1.00 10.00 N ATOM 1307 CA VAL B 201 3.935 3.772 5.063 1.00 10.00 C ATOM 1308 C VAL B 201 4.755 2.798 4.214 1.00 10.00 C ATOM 1309 O VAL B 201 5.074 1.691 4.656 1.00 10.00 O ATOM 1310 CB VAL B 201 4.826 4.396 6.163 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.216 3.364 7.211 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.061 5.037 5.547 1.00 10.00 C ATOM 0 H VAL B 201 2.939 2.300 6.186 1.00 10.00 H new ATOM 0 HA VAL B 201 3.577 4.578 4.422 1.00 10.00 H new ATOM 0 HB VAL B 201 4.248 5.172 6.665 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.842 3.834 7.970 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.317 2.964 7.679 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.769 2.554 6.736 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.677 5.471 6.335 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.636 4.280 5.013 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.756 5.819 4.852 1.00 10.00 H new ATOM 1322 N ILE B 202 5.071 3.193 2.984 1.00 10.00 N ATOM 1323 CA ILE B 202 5.870 2.357 2.102 1.00 10.00 C ATOM 1324 C ILE B 202 7.114 3.120 1.660 1.00 10.00 C ATOM 1325 O ILE B 202 7.033 4.269 1.220 1.00 10.00 O ATOM 1326 CB ILE B 202 5.075 1.853 0.863 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.775 3.005 -0.107 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.789 1.157 1.298 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.701 2.694 -1.128 1.00 10.00 C ATOM 0 H ILE B 202 4.786 4.085 2.579 1.00 10.00 H new ATOM 0 HA ILE B 202 6.158 1.471 2.668 1.00 10.00 H new ATOM 0 HB ILE B 202 5.694 1.128 0.335 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.471 3.879 0.468 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.693 3.272 -0.631 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.247 0.811 0.418 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.033 0.304 1.932 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.167 1.857 1.856 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.551 3.560 -1.773 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.009 1.840 -1.732 1.00 10.00 H new ATOM 0 HD13 ILE B 202 2.769 2.458 -0.615 1.00 10.00 H new