USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 1 ASN N :NH3+ -145:sc= 0 (180deg=-0.0953) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 4 SER OG : rot 160:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0885 K(o=-0.088,f=-0.66) USER MOD Single : A 9 GLN : amide:sc= -3.12! C(o=-3.1!,f=-4.9!) USER MOD Single : A 14 ASN : amide:sc=-0.00617 K(o=-0.0062,f=-0.86) USER MOD Single : A 15 THR OG1 : rot -115:sc= -0.903 USER MOD Single : A 18 THR OG1 : rot -82:sc= 1.4 USER MOD Single : A 21 MET CE :methyl -168:sc= -8.96! (180deg=-9.82!) USER MOD Single : A 22 MET CE :methyl -142:sc= -4.17! (180deg=-6.77!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0661 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.646 USER MOD Single : A 42 SER OG : rot 180:sc= -0.346 USER MOD Single : A 43 MET CE :methyl -149:sc= -2.27 (180deg=-4.88!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.83 K(o=-3.8,f=-5.1!) USER MOD Single : A 53 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 162:sc= 0 (180deg=-0.467) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.350 -5.759 -4.973 1.00 0.00 N ATOM 2 CA ASN A 1 -14.697 -7.198 -5.146 1.00 0.00 C ATOM 3 C ASN A 1 -13.490 -8.059 -4.791 1.00 0.00 C ATOM 4 O ASN A 1 -13.481 -8.753 -3.773 1.00 0.00 O ATOM 5 CB ASN A 1 -15.098 -7.455 -6.600 1.00 0.00 C ATOM 6 CG ASN A 1 -16.518 -6.953 -6.833 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.732 -5.765 -7.076 1.00 0.00 O ATOM 8 ND2 ASN A 1 -17.513 -7.795 -6.773 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.183 -5.240 -4.630 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.577 -5.669 -4.283 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.047 -5.363 -5.886 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.529 -7.452 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.407 -6.948 -7.274 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -15.037 -8.520 -6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -18.467 -7.469 -6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -17.337 -8.779 -6.572 1.00 0.00 H new ATOM 15 N GLN A 2 -12.469 -8.005 -5.642 1.00 0.00 N ATOM 16 CA GLN A 2 -11.256 -8.784 -5.412 1.00 0.00 C ATOM 17 C GLN A 2 -10.413 -8.145 -4.312 1.00 0.00 C ATOM 18 O GLN A 2 -10.541 -6.954 -4.025 1.00 0.00 O ATOM 19 CB GLN A 2 -10.422 -8.870 -6.691 1.00 0.00 C ATOM 20 CG GLN A 2 -10.154 -7.461 -7.223 1.00 0.00 C ATOM 21 CD GLN A 2 -8.832 -7.446 -7.980 1.00 0.00 C ATOM 22 OE1 GLN A 2 -7.774 -7.229 -7.391 1.00 0.00 O ATOM 23 NE2 GLN A 2 -8.829 -7.666 -9.267 1.00 0.00 N ATOM 0 H GLN A 2 -12.456 -7.436 -6.489 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.555 -9.787 -5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.480 -9.379 -6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.948 -9.459 -7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.965 -7.149 -7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.121 -6.750 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.706 -7.846 -9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.950 -7.658 -9.784 1.00 0.00 H new ATOM 32 N ALA A 3 -9.551 -8.951 -3.701 1.00 0.00 N ATOM 33 CA ALA A 3 -8.688 -8.456 -2.631 1.00 0.00 C ATOM 34 C ALA A 3 -7.669 -7.465 -3.185 1.00 0.00 C ATOM 35 O ALA A 3 -6.710 -7.847 -3.855 1.00 0.00 O ATOM 36 CB ALA A 3 -7.944 -9.614 -1.964 1.00 0.00 C ATOM 0 H ALA A 3 -9.431 -9.939 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.318 -7.957 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.306 -9.227 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.665 -10.314 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.330 -10.127 -2.705 1.00 0.00 H new ATOM 42 N SER A 4 -7.891 -6.185 -2.897 1.00 0.00 N ATOM 43 CA SER A 4 -6.987 -5.140 -3.371 1.00 0.00 C ATOM 44 C SER A 4 -6.007 -4.746 -2.270 1.00 0.00 C ATOM 45 O SER A 4 -6.093 -5.228 -1.140 1.00 0.00 O ATOM 46 CB SER A 4 -7.776 -3.904 -3.802 1.00 0.00 C ATOM 47 OG SER A 4 -8.890 -4.308 -4.586 1.00 0.00 O ATOM 0 H SER A 4 -8.679 -5.849 -2.344 1.00 0.00 H new ATOM 0 HA SER A 4 -6.436 -5.533 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.115 -3.351 -2.926 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.137 -3.232 -4.376 1.00 0.00 H new ATOM 0 HG SER A 4 -9.560 -3.593 -4.595 1.00 0.00 H new ATOM 53 N VAL A 5 -5.074 -3.863 -2.613 1.00 0.00 N ATOM 54 CA VAL A 5 -4.078 -3.408 -1.646 1.00 0.00 C ATOM 55 C VAL A 5 -4.588 -2.176 -0.902 1.00 0.00 C ATOM 56 O VAL A 5 -5.332 -1.365 -1.452 1.00 0.00 O ATOM 57 CB VAL A 5 -2.764 -3.058 -2.349 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.683 -2.778 -1.303 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.326 -4.232 -3.228 1.00 0.00 C ATOM 0 H VAL A 5 -4.986 -3.452 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.902 -4.217 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.910 -2.173 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.748 -2.529 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.992 -1.942 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.538 -3.663 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.390 -3.983 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.181 -5.117 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.094 -4.434 -3.975 1.00 0.00 H new ATOM 69 N VAL A 6 -4.177 -2.049 0.356 1.00 0.00 N ATOM 70 CA VAL A 6 -4.594 -0.914 1.172 1.00 0.00 C ATOM 71 C VAL A 6 -3.469 -0.507 2.122 1.00 0.00 C ATOM 72 O VAL A 6 -2.665 -1.337 2.549 1.00 0.00 O ATOM 73 CB VAL A 6 -5.840 -1.272 1.989 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.330 -0.040 2.754 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.944 -1.749 1.044 1.00 0.00 C ATOM 0 H VAL A 6 -3.562 -2.711 0.829 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.827 -0.082 0.507 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.591 -2.062 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.216 -0.300 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.545 0.306 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.578 0.752 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.832 -2.005 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.187 -0.955 0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.601 -2.628 0.498 1.00 0.00 H new ATOM 85 N ALA A 7 -3.426 0.781 2.446 1.00 0.00 N ATOM 86 CA ALA A 7 -2.400 1.296 3.348 1.00 0.00 C ATOM 87 C ALA A 7 -2.653 0.808 4.771 1.00 0.00 C ATOM 88 O ALA A 7 -3.520 1.324 5.476 1.00 0.00 O ATOM 89 CB ALA A 7 -2.397 2.825 3.335 1.00 0.00 C ATOM 0 H ALA A 7 -4.082 1.482 2.102 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.432 0.930 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.627 3.193 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.192 3.180 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.371 3.194 3.658 1.00 0.00 H new ATOM 95 N ASN A 8 -1.885 -0.196 5.182 1.00 0.00 N ATOM 96 CA ASN A 8 -2.029 -0.757 6.524 1.00 0.00 C ATOM 97 C ASN A 8 -1.770 0.307 7.591 1.00 0.00 C ATOM 98 O ASN A 8 -2.275 0.215 8.710 1.00 0.00 O ATOM 99 CB ASN A 8 -1.050 -1.914 6.727 1.00 0.00 C ATOM 100 CG ASN A 8 -1.375 -2.634 8.031 1.00 0.00 C ATOM 101 OD1 ASN A 8 -2.177 -3.567 8.049 1.00 0.00 O ATOM 102 ND2 ASN A 8 -0.794 -2.252 9.134 1.00 0.00 N ATOM 0 H ASN A 8 -1.162 -0.636 4.612 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.052 -1.121 6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.114 -2.609 5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.027 -1.538 6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.004 -2.727 10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.129 -1.479 9.119 1.00 0.00 H new ATOM 109 N GLN A 9 -0.974 1.315 7.239 1.00 0.00 N ATOM 110 CA GLN A 9 -0.657 2.384 8.184 1.00 0.00 C ATOM 111 C GLN A 9 -0.418 3.697 7.445 1.00 0.00 C ATOM 112 O GLN A 9 -0.540 3.770 6.222 1.00 0.00 O ATOM 113 CB GLN A 9 0.594 2.030 8.991 1.00 0.00 C ATOM 114 CG GLN A 9 1.740 1.692 8.035 1.00 0.00 C ATOM 115 CD GLN A 9 2.923 1.153 8.831 1.00 0.00 C ATOM 116 OE1 GLN A 9 2.850 0.065 9.403 1.00 0.00 O ATOM 117 NE2 GLN A 9 4.021 1.854 8.902 1.00 0.00 N ATOM 0 H GLN A 9 -0.542 1.414 6.320 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.505 2.498 8.860 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.875 2.866 9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.390 1.182 9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.412 0.952 7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.037 2.580 7.478 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.082 2.755 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.818 1.501 9.431 1.00 0.00 H new ATOM 126 N LEU A 10 -0.080 4.734 8.205 1.00 0.00 N ATOM 127 CA LEU A 10 0.172 6.049 7.620 1.00 0.00 C ATOM 128 C LEU A 10 1.472 6.041 6.821 1.00 0.00 C ATOM 129 O LEU A 10 2.564 6.116 7.385 1.00 0.00 O ATOM 130 CB LEU A 10 0.267 7.113 8.716 1.00 0.00 C ATOM 131 CG LEU A 10 0.318 8.503 8.078 1.00 0.00 C ATOM 132 CD1 LEU A 10 -1.012 8.793 7.378 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.560 9.552 9.167 1.00 0.00 C ATOM 0 H LEU A 10 0.025 4.692 9.219 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.659 6.284 6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.591 7.039 9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.158 6.947 9.322 1.00 0.00 H new ATOM 0 HG LEU A 10 1.127 8.540 7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.976 9.783 6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.187 8.045 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.822 8.758 8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.597 10.543 8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.251 9.515 9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.506 9.346 9.667 1.00 0.00 H new ATOM 145 N ILE A 11 1.340 5.955 5.500 1.00 0.00 N ATOM 146 CA ILE A 11 2.509 5.943 4.626 1.00 0.00 C ATOM 147 C ILE A 11 2.788 7.361 4.101 1.00 0.00 C ATOM 148 O ILE A 11 1.908 7.979 3.501 1.00 0.00 O ATOM 149 CB ILE A 11 2.275 5.007 3.438 1.00 0.00 C ATOM 150 CG1 ILE A 11 1.871 3.623 3.954 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.562 4.887 2.615 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.220 2.825 2.822 1.00 0.00 C ATOM 0 H ILE A 11 0.445 5.893 5.015 1.00 0.00 H new ATOM 0 HA ILE A 11 3.365 5.590 5.201 1.00 0.00 H new ATOM 0 HB ILE A 11 1.481 5.411 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.747 3.093 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.177 3.723 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.393 4.220 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.852 5.871 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.358 4.484 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.933 1.840 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.334 3.353 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.929 2.713 2.001 1.00 0.00 H new ATOM 164 N PRO A 12 4.002 7.906 4.315 1.00 0.00 N ATOM 165 CA PRO A 12 4.335 9.264 3.842 1.00 0.00 C ATOM 166 C PRO A 12 4.768 9.291 2.377 1.00 0.00 C ATOM 167 O PRO A 12 5.169 8.274 1.812 1.00 0.00 O ATOM 168 CB PRO A 12 5.493 9.650 4.754 1.00 0.00 C ATOM 169 CG PRO A 12 6.127 8.355 5.248 1.00 0.00 C ATOM 170 CD PRO A 12 5.111 7.230 5.028 1.00 0.00 C ATOM 0 HA PRO A 12 3.482 9.941 3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.222 10.255 4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.139 10.250 5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.050 8.149 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.388 8.434 6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.533 6.417 4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.778 6.798 5.972 1.00 0.00 H new ATOM 178 N ILE A 13 4.681 10.474 1.773 1.00 0.00 N ATOM 179 CA ILE A 13 5.064 10.639 0.372 1.00 0.00 C ATOM 180 C ILE A 13 6.585 10.534 0.220 1.00 0.00 C ATOM 181 O ILE A 13 7.338 10.854 1.139 1.00 0.00 O ATOM 182 CB ILE A 13 4.575 11.998 -0.153 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.907 12.117 -1.647 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.249 13.135 0.625 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.369 13.441 -2.200 1.00 0.00 C ATOM 0 H ILE A 13 4.352 11.326 2.227 1.00 0.00 H new ATOM 0 HA ILE A 13 4.598 9.845 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 13 3.496 12.071 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.986 12.064 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.470 11.281 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.896 14.094 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.001 13.049 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.330 13.071 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.609 13.517 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.287 13.477 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.827 14.272 -1.664 1.00 0.00 H new ATOM 197 N ASN A 14 7.020 10.087 -0.955 1.00 0.00 N ATOM 198 CA ASN A 14 8.449 9.946 -1.228 1.00 0.00 C ATOM 199 C ASN A 14 9.092 8.971 -0.243 1.00 0.00 C ATOM 200 O ASN A 14 10.227 9.165 0.196 1.00 0.00 O ATOM 201 CB ASN A 14 9.150 11.304 -1.122 1.00 0.00 C ATOM 202 CG ASN A 14 9.106 12.006 -2.475 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.177 11.803 -3.257 1.00 0.00 O ATOM 204 ND2 ASN A 14 10.065 12.829 -2.801 1.00 0.00 N ATOM 0 H ASN A 14 6.411 9.818 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 14 8.561 9.558 -2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.662 11.919 -0.365 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.184 11.168 -0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.045 13.304 -3.703 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.835 12.997 -2.153 1.00 0.00 H new ATOM 211 N THR A 15 8.354 7.919 0.098 1.00 0.00 N ATOM 212 CA THR A 15 8.860 6.918 1.031 1.00 0.00 C ATOM 213 C THR A 15 8.618 5.513 0.489 1.00 0.00 C ATOM 214 O THR A 15 7.534 5.198 0.000 1.00 0.00 O ATOM 215 CB THR A 15 8.169 7.055 2.389 1.00 0.00 C ATOM 216 OG1 THR A 15 8.236 8.408 2.817 1.00 0.00 O ATOM 217 CG2 THR A 15 8.867 6.158 3.412 1.00 0.00 C ATOM 0 H THR A 15 7.414 7.738 -0.253 1.00 0.00 H new ATOM 0 HA THR A 15 9.931 7.081 1.151 1.00 0.00 H new ATOM 0 HB THR A 15 7.125 6.753 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.783 8.468 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.374 6.257 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.814 5.120 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.911 6.457 3.505 1.00 0.00 H new ATOM 225 N ALA A 16 9.645 4.672 0.582 1.00 0.00 N ATOM 226 CA ALA A 16 9.539 3.298 0.098 1.00 0.00 C ATOM 227 C ALA A 16 8.462 2.543 0.870 1.00 0.00 C ATOM 228 O ALA A 16 8.193 2.836 2.035 1.00 0.00 O ATOM 229 CB ALA A 16 10.874 2.569 0.260 1.00 0.00 C ATOM 0 H ALA A 16 10.551 4.914 0.984 1.00 0.00 H new ATOM 0 HA ALA A 16 9.271 3.333 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.777 1.547 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.643 3.087 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.154 2.553 1.313 1.00 0.00 H new ATOM 235 N LEU A 17 7.852 1.565 0.206 1.00 0.00 N ATOM 236 CA LEU A 17 6.803 0.769 0.838 1.00 0.00 C ATOM 237 C LEU A 17 7.404 -0.451 1.528 1.00 0.00 C ATOM 238 O LEU A 17 8.565 -0.798 1.308 1.00 0.00 O ATOM 239 CB LEU A 17 5.784 0.302 -0.202 1.00 0.00 C ATOM 240 CG LEU A 17 4.963 1.499 -0.685 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.122 1.086 -1.895 1.00 0.00 C ATOM 242 CD2 LEU A 17 4.039 1.970 0.440 1.00 0.00 C ATOM 0 H LEU A 17 8.062 1.306 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 17 6.304 1.396 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.295 -0.165 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.127 -0.453 0.230 1.00 0.00 H new ATOM 0 HG LEU A 17 5.634 2.310 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.537 1.939 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.779 0.749 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.450 0.276 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.454 2.823 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.368 1.159 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.637 2.264 1.303 1.00 0.00 H new ATOM 254 N THR A 18 6.599 -1.099 2.365 1.00 0.00 N ATOM 255 CA THR A 18 7.057 -2.284 3.084 1.00 0.00 C ATOM 256 C THR A 18 5.890 -3.227 3.354 1.00 0.00 C ATOM 257 O THR A 18 4.729 -2.876 3.145 1.00 0.00 O ATOM 258 CB THR A 18 7.696 -1.887 4.418 1.00 0.00 C ATOM 259 OG1 THR A 18 6.708 -1.317 5.263 1.00 0.00 O ATOM 260 CG2 THR A 18 8.809 -0.867 4.170 1.00 0.00 C ATOM 0 H THR A 18 5.636 -0.827 2.561 1.00 0.00 H new ATOM 0 HA THR A 18 7.797 -2.790 2.463 1.00 0.00 H new ATOM 0 HB THR A 18 8.118 -2.771 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.578 -0.375 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.263 -0.585 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.567 -1.306 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.391 0.018 3.691 1.00 0.00 H new ATOM 268 N LEU A 19 6.212 -4.430 3.820 1.00 0.00 N ATOM 269 CA LEU A 19 5.181 -5.421 4.118 1.00 0.00 C ATOM 270 C LEU A 19 4.254 -4.911 5.218 1.00 0.00 C ATOM 271 O LEU A 19 3.060 -5.210 5.232 1.00 0.00 O ATOM 272 CB LEU A 19 5.817 -6.736 4.572 1.00 0.00 C ATOM 273 CG LEU A 19 6.184 -7.575 3.348 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.333 -6.903 2.594 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.620 -8.971 3.799 1.00 0.00 C ATOM 0 H LEU A 19 7.167 -4.741 3.998 1.00 0.00 H new ATOM 0 HA LEU A 19 4.606 -5.592 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.707 -6.535 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.124 -7.286 5.209 1.00 0.00 H new ATOM 0 HG LEU A 19 5.317 -7.658 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.595 -7.501 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.025 -5.908 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.199 -6.820 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.882 -9.570 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.486 -8.887 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.803 -9.451 4.337 1.00 0.00 H new ATOM 287 N VAL A 20 4.820 -4.133 6.136 1.00 0.00 N ATOM 288 CA VAL A 20 4.038 -3.579 7.239 1.00 0.00 C ATOM 289 C VAL A 20 3.070 -2.515 6.726 1.00 0.00 C ATOM 290 O VAL A 20 1.992 -2.316 7.285 1.00 0.00 O ATOM 291 CB VAL A 20 4.959 -2.951 8.289 1.00 0.00 C ATOM 292 CG1 VAL A 20 4.139 -2.558 9.520 1.00 0.00 C ATOM 293 CG2 VAL A 20 6.032 -3.963 8.699 1.00 0.00 C ATOM 0 H VAL A 20 5.806 -3.873 6.140 1.00 0.00 H new ATOM 0 HA VAL A 20 3.475 -4.394 7.693 1.00 0.00 H new ATOM 0 HB VAL A 20 5.434 -2.065 7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.795 -2.111 10.267 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.373 -1.838 9.232 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.664 -3.445 9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.687 -3.516 9.446 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.555 -4.849 9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.618 -4.246 7.825 1.00 0.00 H new ATOM 303 N MET A 21 3.467 -1.832 5.653 1.00 0.00 N ATOM 304 CA MET A 21 2.628 -0.787 5.072 1.00 0.00 C ATOM 305 C MET A 21 1.828 -1.326 3.887 1.00 0.00 C ATOM 306 O MET A 21 1.488 -0.583 2.964 1.00 0.00 O ATOM 307 CB MET A 21 3.493 0.381 4.596 1.00 0.00 C ATOM 308 CG MET A 21 4.190 1.014 5.802 1.00 0.00 C ATOM 309 SD MET A 21 5.809 1.654 5.303 1.00 0.00 S ATOM 310 CE MET A 21 5.218 2.832 4.064 1.00 0.00 C ATOM 0 H MET A 21 4.355 -1.982 5.173 1.00 0.00 H new ATOM 0 HA MET A 21 1.938 -0.446 5.844 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.232 0.032 3.875 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.877 1.122 4.087 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.578 1.820 6.206 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.309 0.276 6.595 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.060 3.192 3.473 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.499 2.341 3.409 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.738 3.674 4.562 1.00 0.00 H new ATOM 320 N MET A 22 1.528 -2.622 3.919 1.00 0.00 N ATOM 321 CA MET A 22 0.764 -3.243 2.841 1.00 0.00 C ATOM 322 C MET A 22 -0.054 -4.414 3.374 1.00 0.00 C ATOM 323 O MET A 22 0.479 -5.327 4.004 1.00 0.00 O ATOM 324 CB MET A 22 1.702 -3.748 1.742 1.00 0.00 C ATOM 325 CG MET A 22 2.274 -2.555 0.973 1.00 0.00 C ATOM 326 SD MET A 22 2.613 -3.041 -0.738 1.00 0.00 S ATOM 327 CE MET A 22 3.751 -4.399 -0.367 1.00 0.00 C ATOM 0 H MET A 22 1.799 -3.256 4.671 1.00 0.00 H new ATOM 0 HA MET A 22 0.093 -2.490 2.427 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.510 -4.334 2.180 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.162 -4.407 1.063 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.568 -1.725 0.993 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.190 -2.207 1.451 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.555 -4.411 -1.103 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.172 -4.259 0.629 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.212 -5.346 -0.403 1.00 0.00 H new ATOM 337 N ARG A 23 -1.358 -4.378 3.115 1.00 0.00 N ATOM 338 CA ARG A 23 -2.247 -5.442 3.575 1.00 0.00 C ATOM 339 C ARG A 23 -3.324 -5.725 2.533 1.00 0.00 C ATOM 340 O ARG A 23 -3.580 -4.912 1.645 1.00 0.00 O ATOM 341 CB ARG A 23 -2.919 -5.048 4.891 1.00 0.00 C ATOM 342 CG ARG A 23 -3.611 -3.693 4.725 1.00 0.00 C ATOM 343 CD ARG A 23 -4.861 -3.647 5.606 1.00 0.00 C ATOM 344 NE ARG A 23 -5.506 -2.339 5.517 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.746 -2.156 5.961 1.00 0.00 C ATOM 346 NH1 ARG A 23 -6.953 -1.871 7.218 1.00 0.00 N ATOM 347 NH2 ARG A 23 -7.755 -2.262 5.141 1.00 0.00 N ATOM 0 H ARG A 23 -1.820 -3.632 2.595 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.646 -6.338 3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.646 -5.806 5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.178 -4.995 5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.929 -2.888 5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.883 -3.537 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.559 -4.424 5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.591 -3.855 6.641 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.998 -1.555 5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.164 -1.789 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.904 -1.730 7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.593 -2.485 4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.706 -2.122 5.482 1.00 0.00 H new ATOM 361 N SER A 24 -3.952 -6.891 2.652 1.00 0.00 N ATOM 362 CA SER A 24 -5.005 -7.279 1.717 1.00 0.00 C ATOM 363 C SER A 24 -6.378 -6.955 2.297 1.00 0.00 C ATOM 364 O SER A 24 -6.606 -7.083 3.500 1.00 0.00 O ATOM 365 CB SER A 24 -4.931 -8.776 1.419 1.00 0.00 C ATOM 366 OG SER A 24 -4.537 -9.470 2.595 1.00 0.00 O ATOM 0 H SER A 24 -3.753 -7.578 3.379 1.00 0.00 H new ATOM 0 HA SER A 24 -4.859 -6.718 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.900 -9.139 1.076 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.218 -8.964 0.616 1.00 0.00 H new ATOM 0 HG SER A 24 -4.490 -10.431 2.408 1.00 0.00 H new ATOM 372 N GLU A 25 -7.291 -6.533 1.427 1.00 0.00 N ATOM 373 CA GLU A 25 -8.643 -6.191 1.859 1.00 0.00 C ATOM 374 C GLU A 25 -9.498 -5.787 0.663 1.00 0.00 C ATOM 375 O GLU A 25 -9.019 -5.150 -0.275 1.00 0.00 O ATOM 376 CB GLU A 25 -8.610 -5.035 2.862 1.00 0.00 C ATOM 377 CG GLU A 25 -9.805 -5.147 3.811 1.00 0.00 C ATOM 378 CD GLU A 25 -9.458 -6.090 4.957 1.00 0.00 C ATOM 379 OE1 GLU A 25 -8.539 -5.778 5.698 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.115 -7.111 5.078 1.00 0.00 O ATOM 0 H GLU A 25 -7.122 -6.420 0.427 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.076 -7.071 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.679 -5.058 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.639 -4.081 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.066 -4.163 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.677 -5.518 3.272 1.00 0.00 H new ATOM 387 N VAL A 26 -10.773 -6.163 0.709 1.00 0.00 N ATOM 388 CA VAL A 26 -11.694 -5.835 -0.377 1.00 0.00 C ATOM 389 C VAL A 26 -12.111 -4.369 -0.294 1.00 0.00 C ATOM 390 O VAL A 26 -12.649 -3.918 0.717 1.00 0.00 O ATOM 391 CB VAL A 26 -12.945 -6.715 -0.306 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.798 -6.494 -1.557 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.530 -8.188 -0.232 1.00 0.00 C ATOM 0 H VAL A 26 -11.189 -6.689 1.477 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.180 -6.015 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.522 -6.452 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.688 -7.121 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.094 -5.447 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.220 -6.757 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.420 -8.815 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.953 -8.448 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.921 -8.350 0.657 1.00 0.00 H new ATOM 403 N VAL A 27 -11.855 -3.633 -1.371 1.00 0.00 N ATOM 404 CA VAL A 27 -12.206 -2.216 -1.414 1.00 0.00 C ATOM 405 C VAL A 27 -12.412 -1.761 -2.856 1.00 0.00 C ATOM 406 O VAL A 27 -11.901 -2.374 -3.794 1.00 0.00 O ATOM 407 CB VAL A 27 -11.100 -1.371 -0.781 1.00 0.00 C ATOM 408 CG1 VAL A 27 -11.004 -1.689 0.713 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.764 -1.692 -1.455 1.00 0.00 C ATOM 0 H VAL A 27 -11.411 -3.988 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.132 -2.083 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.331 -0.314 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.215 -1.086 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.955 -1.462 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.773 -2.746 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.975 -1.090 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.534 -2.749 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.830 -1.466 -2.519 1.00 0.00 H new ATOM 419 N THR A 28 -13.168 -0.679 -3.022 1.00 0.00 N ATOM 420 CA THR A 28 -13.436 -0.147 -4.354 1.00 0.00 C ATOM 421 C THR A 28 -12.845 1.263 -4.495 1.00 0.00 C ATOM 422 O THR A 28 -12.834 2.028 -3.531 1.00 0.00 O ATOM 423 CB THR A 28 -14.943 -0.084 -4.614 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.182 0.581 -5.848 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.627 0.683 -3.480 1.00 0.00 C ATOM 0 H THR A 28 -13.602 -0.158 -2.259 1.00 0.00 H new ATOM 0 HA THR A 28 -12.971 -0.812 -5.082 1.00 0.00 H new ATOM 0 HB THR A 28 -15.346 -1.096 -4.661 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.147 0.621 -6.017 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.700 0.727 -3.666 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.444 0.174 -2.534 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.225 1.695 -3.431 1.00 0.00 H new ATOM 433 N PRO A 29 -12.343 1.628 -5.689 1.00 0.00 N ATOM 434 CA PRO A 29 -12.326 0.755 -6.885 1.00 0.00 C ATOM 435 C PRO A 29 -11.175 -0.250 -6.858 1.00 0.00 C ATOM 436 O PRO A 29 -10.123 0.005 -6.274 1.00 0.00 O ATOM 437 CB PRO A 29 -12.146 1.756 -8.017 1.00 0.00 C ATOM 438 CG PRO A 29 -11.494 2.995 -7.416 1.00 0.00 C ATOM 439 CD PRO A 29 -11.752 2.963 -5.906 1.00 0.00 C ATOM 0 HA PRO A 29 -13.222 0.140 -6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.523 1.337 -8.807 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.107 2.006 -8.467 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.424 3.004 -7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.911 3.900 -7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.831 3.092 -5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.431 3.758 -5.597 1.00 0.00 H new ATOM 447 N VAL A 30 -11.393 -1.399 -7.494 1.00 0.00 N ATOM 448 CA VAL A 30 -10.377 -2.443 -7.539 1.00 0.00 C ATOM 449 C VAL A 30 -9.099 -1.928 -8.198 1.00 0.00 C ATOM 450 O VAL A 30 -9.027 -1.776 -9.418 1.00 0.00 O ATOM 451 CB VAL A 30 -10.896 -3.650 -8.320 1.00 0.00 C ATOM 452 CG1 VAL A 30 -12.083 -4.265 -7.576 1.00 0.00 C ATOM 453 CG2 VAL A 30 -11.342 -3.209 -9.718 1.00 0.00 C ATOM 0 H VAL A 30 -12.259 -1.628 -7.982 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.152 -2.740 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.100 -4.389 -8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.454 -5.126 -8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.765 -4.584 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.877 -3.524 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.711 -4.072 -10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.136 -2.468 -9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.496 -2.772 -10.249 1.00 0.00 H new ATOM 463 N GLY A 31 -8.089 -1.664 -7.373 1.00 0.00 N ATOM 464 CA GLY A 31 -6.813 -1.167 -7.879 1.00 0.00 C ATOM 465 C GLY A 31 -5.831 -2.314 -8.080 1.00 0.00 C ATOM 466 O GLY A 31 -6.096 -3.253 -8.831 1.00 0.00 O ATOM 0 H GLY A 31 -8.128 -1.784 -6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.969 -0.645 -8.823 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.396 -0.443 -7.179 1.00 0.00 H new ATOM 470 N ILE A 32 -4.693 -2.231 -7.397 1.00 0.00 N ATOM 471 CA ILE A 32 -3.674 -3.271 -7.504 1.00 0.00 C ATOM 472 C ILE A 32 -4.104 -4.511 -6.708 1.00 0.00 C ATOM 473 O ILE A 32 -4.651 -4.382 -5.611 1.00 0.00 O ATOM 474 CB ILE A 32 -2.335 -2.762 -6.962 1.00 0.00 C ATOM 475 CG1 ILE A 32 -1.969 -1.451 -7.665 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.243 -3.801 -7.225 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.781 -0.797 -6.953 1.00 0.00 C ATOM 0 H ILE A 32 -4.454 -1.463 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.559 -3.534 -8.555 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.420 -2.592 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.719 -1.644 -8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.824 -0.775 -7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.292 -3.435 -6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.502 -4.735 -6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.156 -3.974 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.524 0.135 -7.456 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.048 -0.589 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.075 -1.471 -6.979 1.00 0.00 H new ATOM 489 N PRO A 33 -3.875 -5.729 -7.236 1.00 0.00 N ATOM 490 CA PRO A 33 -4.267 -6.963 -6.531 1.00 0.00 C ATOM 491 C PRO A 33 -3.250 -7.394 -5.476 1.00 0.00 C ATOM 492 O PRO A 33 -2.094 -6.971 -5.493 1.00 0.00 O ATOM 493 CB PRO A 33 -4.331 -7.978 -7.666 1.00 0.00 C ATOM 494 CG PRO A 33 -3.433 -7.459 -8.784 1.00 0.00 C ATOM 495 CD PRO A 33 -3.223 -5.960 -8.547 1.00 0.00 C ATOM 0 HA PRO A 33 -5.197 -6.847 -5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.995 -8.958 -7.326 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.355 -8.097 -8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.478 -7.985 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.893 -7.633 -9.757 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.165 -5.701 -8.521 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.679 -5.360 -9.335 1.00 0.00 H new ATOM 503 N ALA A 34 -3.701 -8.242 -4.557 1.00 0.00 N ATOM 504 CA ALA A 34 -2.835 -8.736 -3.488 1.00 0.00 C ATOM 505 C ALA A 34 -1.733 -9.647 -4.040 1.00 0.00 C ATOM 506 O ALA A 34 -0.739 -9.912 -3.365 1.00 0.00 O ATOM 507 CB ALA A 34 -3.655 -9.520 -2.461 1.00 0.00 C ATOM 0 H ALA A 34 -4.655 -8.601 -4.529 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.374 -7.869 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.998 -9.882 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.416 -8.870 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.136 -10.367 -2.950 1.00 0.00 H new ATOM 513 N GLU A 35 -1.914 -10.130 -5.268 1.00 0.00 N ATOM 514 CA GLU A 35 -0.920 -11.010 -5.876 1.00 0.00 C ATOM 515 C GLU A 35 0.394 -10.269 -6.149 1.00 0.00 C ATOM 516 O GLU A 35 1.414 -10.895 -6.440 1.00 0.00 O ATOM 517 CB GLU A 35 -1.451 -11.580 -7.195 1.00 0.00 C ATOM 518 CG GLU A 35 -1.843 -10.433 -8.137 1.00 0.00 C ATOM 519 CD GLU A 35 -0.766 -10.246 -9.201 1.00 0.00 C ATOM 520 OE1 GLU A 35 0.394 -10.458 -8.887 1.00 0.00 O ATOM 521 OE2 GLU A 35 -1.117 -9.894 -10.315 1.00 0.00 O ATOM 0 H GLU A 35 -2.726 -9.931 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.727 -11.818 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.691 -12.204 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.314 -12.218 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.801 -10.650 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.970 -9.511 -7.569 1.00 0.00 H new ATOM 528 N ASP A 36 0.370 -8.936 -6.067 1.00 0.00 N ATOM 529 CA ASP A 36 1.578 -8.152 -6.323 1.00 0.00 C ATOM 530 C ASP A 36 2.065 -7.440 -5.061 1.00 0.00 C ATOM 531 O ASP A 36 2.754 -6.423 -5.140 1.00 0.00 O ATOM 532 CB ASP A 36 1.315 -7.108 -7.410 1.00 0.00 C ATOM 533 CG ASP A 36 1.122 -7.805 -8.752 1.00 0.00 C ATOM 534 OD1 ASP A 36 2.032 -8.497 -9.174 1.00 0.00 O ATOM 535 OD2 ASP A 36 0.065 -7.634 -9.338 1.00 0.00 O ATOM 0 H ASP A 36 -0.456 -8.387 -5.830 1.00 0.00 H new ATOM 0 HA ASP A 36 2.350 -8.848 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.429 -6.524 -7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.150 -6.410 -7.468 1.00 0.00 H new ATOM 540 N ILE A 37 1.718 -7.985 -3.898 1.00 0.00 N ATOM 541 CA ILE A 37 2.150 -7.383 -2.636 1.00 0.00 C ATOM 542 C ILE A 37 3.687 -7.420 -2.514 1.00 0.00 C ATOM 543 O ILE A 37 4.296 -6.405 -2.176 1.00 0.00 O ATOM 544 CB ILE A 37 1.496 -8.099 -1.439 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.019 -7.898 -1.504 1.00 0.00 C ATOM 546 CG2 ILE A 37 2.010 -7.517 -0.114 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.718 -9.041 -0.765 1.00 0.00 C ATOM 0 H ILE A 37 1.150 -8.826 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 37 1.830 -6.341 -2.629 1.00 0.00 H new ATOM 0 HB ILE A 37 1.747 -9.159 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.289 -6.942 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.348 -7.867 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.536 -8.036 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.091 -7.646 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.768 -6.455 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.798 -8.898 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.457 -9.990 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.398 -9.050 0.277 1.00 0.00 H new ATOM 559 N PRO A 38 4.345 -8.567 -2.782 1.00 0.00 N ATOM 560 CA PRO A 38 5.817 -8.644 -2.681 1.00 0.00 C ATOM 561 C PRO A 38 6.533 -7.991 -3.866 1.00 0.00 C ATOM 562 O PRO A 38 7.728 -7.702 -3.800 1.00 0.00 O ATOM 563 CB PRO A 38 6.072 -10.146 -2.654 1.00 0.00 C ATOM 564 CG PRO A 38 4.874 -10.809 -3.316 1.00 0.00 C ATOM 565 CD PRO A 38 3.697 -9.837 -3.199 1.00 0.00 C ATOM 0 HA PRO A 38 6.198 -8.109 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.992 -10.391 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.192 -10.499 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.087 -11.032 -4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.641 -11.756 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.170 -9.728 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.966 -10.176 -2.465 1.00 0.00 H new ATOM 573 N ARG A 39 5.793 -7.759 -4.949 1.00 0.00 N ATOM 574 CA ARG A 39 6.374 -7.136 -6.135 1.00 0.00 C ATOM 575 C ARG A 39 6.455 -5.620 -5.966 1.00 0.00 C ATOM 576 O ARG A 39 7.310 -4.963 -6.560 1.00 0.00 O ATOM 577 CB ARG A 39 5.531 -7.454 -7.373 1.00 0.00 C ATOM 578 CG ARG A 39 5.939 -8.819 -7.933 1.00 0.00 C ATOM 579 CD ARG A 39 5.809 -8.807 -9.456 1.00 0.00 C ATOM 580 NE ARG A 39 6.809 -9.679 -10.066 1.00 0.00 N ATOM 581 CZ ARG A 39 6.542 -10.353 -11.182 1.00 0.00 C ATOM 582 NH1 ARG A 39 5.562 -11.214 -11.204 1.00 0.00 N ATOM 583 NH2 ARG A 39 7.259 -10.152 -12.252 1.00 0.00 N ATOM 0 H ARG A 39 4.803 -7.990 -5.029 1.00 0.00 H new ATOM 0 HA ARG A 39 7.379 -7.538 -6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.472 -7.457 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.672 -6.682 -8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.965 -9.049 -7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.308 -9.601 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.810 -9.134 -9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.930 -7.790 -9.828 1.00 0.00 H new ATOM 0 HE ARG A 39 7.726 -9.773 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.001 -11.370 -10.366 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.357 -11.731 -12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.025 -9.478 -12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.054 -10.669 -13.107 1.00 0.00 H new ATOM 597 N LEU A 40 5.555 -5.071 -5.151 1.00 0.00 N ATOM 598 CA LEU A 40 5.536 -3.628 -4.916 1.00 0.00 C ATOM 599 C LEU A 40 6.273 -3.281 -3.623 1.00 0.00 C ATOM 600 O LEU A 40 5.858 -2.398 -2.870 1.00 0.00 O ATOM 601 CB LEU A 40 4.093 -3.123 -4.821 1.00 0.00 C ATOM 602 CG LEU A 40 3.529 -2.906 -6.228 1.00 0.00 C ATOM 603 CD1 LEU A 40 2.708 -4.129 -6.645 1.00 0.00 C ATOM 604 CD2 LEU A 40 2.629 -1.667 -6.234 1.00 0.00 C ATOM 0 H LEU A 40 4.839 -5.595 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 40 6.037 -3.145 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.480 -3.844 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.060 -2.190 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 40 4.352 -2.763 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.307 -3.974 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.345 -5.013 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.886 -4.272 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.228 -1.513 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.807 -1.811 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.210 -0.794 -5.938 1.00 0.00 H new ATOM 616 N VAL A 41 7.377 -3.981 -3.374 1.00 0.00 N ATOM 617 CA VAL A 41 8.166 -3.734 -2.170 1.00 0.00 C ATOM 618 C VAL A 41 9.222 -2.667 -2.441 1.00 0.00 C ATOM 619 O VAL A 41 9.817 -2.619 -3.518 1.00 0.00 O ATOM 620 CB VAL A 41 8.857 -5.020 -1.707 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.541 -4.781 -0.358 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.816 -6.132 -1.553 1.00 0.00 C ATOM 0 H VAL A 41 7.742 -4.715 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 41 7.491 -3.388 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 41 9.602 -5.313 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.032 -5.698 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.283 -3.989 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.796 -4.485 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.307 -7.047 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.072 -5.834 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.327 -6.308 -2.511 1.00 0.00 H new ATOM 632 N SER A 42 9.445 -1.808 -1.449 1.00 0.00 N ATOM 633 CA SER A 42 10.431 -0.736 -1.583 1.00 0.00 C ATOM 634 C SER A 42 10.056 0.195 -2.733 1.00 0.00 C ATOM 635 O SER A 42 10.921 0.753 -3.407 1.00 0.00 O ATOM 636 CB SER A 42 11.824 -1.316 -1.845 1.00 0.00 C ATOM 637 OG SER A 42 12.014 -2.465 -1.030 1.00 0.00 O ATOM 0 H SER A 42 8.962 -1.831 -0.551 1.00 0.00 H new ATOM 0 HA SER A 42 10.442 -0.174 -0.649 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.929 -1.581 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.588 -0.570 -1.626 1.00 0.00 H new ATOM 0 HG SER A 42 12.904 -2.840 -1.196 1.00 0.00 H new ATOM 643 N MET A 43 8.753 0.355 -2.947 1.00 0.00 N ATOM 644 CA MET A 43 8.267 1.222 -4.017 1.00 0.00 C ATOM 645 C MET A 43 8.025 2.632 -3.490 1.00 0.00 C ATOM 646 O MET A 43 7.584 2.820 -2.356 1.00 0.00 O ATOM 647 CB MET A 43 6.962 0.675 -4.598 1.00 0.00 C ATOM 648 CG MET A 43 7.221 -0.686 -5.246 1.00 0.00 C ATOM 649 SD MET A 43 8.261 -0.470 -6.711 1.00 0.00 S ATOM 650 CE MET A 43 6.976 0.177 -7.809 1.00 0.00 C ATOM 0 H MET A 43 8.021 -0.099 -2.400 1.00 0.00 H new ATOM 0 HA MET A 43 9.027 1.252 -4.798 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.214 0.578 -3.811 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.561 1.370 -5.336 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.710 -1.352 -4.535 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.277 -1.154 -5.523 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.191 -0.120 -8.836 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.007 -0.224 -7.511 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.954 1.265 -7.743 1.00 0.00 H new ATOM 660 N GLN A 44 8.320 3.622 -4.328 1.00 0.00 N ATOM 661 CA GLN A 44 8.131 5.017 -3.938 1.00 0.00 C ATOM 662 C GLN A 44 6.848 5.572 -4.547 1.00 0.00 C ATOM 663 O GLN A 44 6.528 5.309 -5.706 1.00 0.00 O ATOM 664 CB GLN A 44 9.313 5.868 -4.406 1.00 0.00 C ATOM 665 CG GLN A 44 10.599 5.361 -3.750 1.00 0.00 C ATOM 666 CD GLN A 44 11.709 6.388 -3.946 1.00 0.00 C ATOM 667 OE1 GLN A 44 12.001 6.787 -5.074 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.352 6.843 -2.906 1.00 0.00 N ATOM 0 H GLN A 44 8.687 3.488 -5.270 1.00 0.00 H new ATOM 0 HA GLN A 44 8.063 5.056 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.402 5.820 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.147 6.914 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.433 5.187 -2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.891 4.406 -4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.110 6.512 -1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.097 7.529 -3.027 1.00 0.00 H new ATOM 677 N VAL A 45 6.116 6.346 -3.749 1.00 0.00 N ATOM 678 CA VAL A 45 4.867 6.940 -4.217 1.00 0.00 C ATOM 679 C VAL A 45 5.061 8.425 -4.504 1.00 0.00 C ATOM 680 O VAL A 45 5.815 9.112 -3.817 1.00 0.00 O ATOM 681 CB VAL A 45 3.769 6.775 -3.163 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.436 5.292 -2.999 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.259 7.336 -1.827 1.00 0.00 C ATOM 0 H VAL A 45 6.363 6.575 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 45 4.571 6.428 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 45 2.877 7.314 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.654 5.175 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.088 4.890 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.328 4.752 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.478 7.219 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.151 6.796 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.497 8.393 -1.942 1.00 0.00 H new ATOM 693 N ASN A 46 4.370 8.913 -5.531 1.00 0.00 N ATOM 694 CA ASN A 46 4.474 10.321 -5.905 1.00 0.00 C ATOM 695 C ASN A 46 3.607 11.188 -4.993 1.00 0.00 C ATOM 696 O ASN A 46 3.902 12.362 -4.769 1.00 0.00 O ATOM 697 CB ASN A 46 4.035 10.529 -7.357 1.00 0.00 C ATOM 698 CG ASN A 46 2.626 9.982 -7.551 1.00 0.00 C ATOM 699 OD1 ASN A 46 2.443 8.912 -8.132 1.00 0.00 O ATOM 700 ND2 ASN A 46 1.610 10.660 -7.098 1.00 0.00 N ATOM 0 H ASN A 46 3.739 8.362 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 46 5.518 10.615 -5.797 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.061 11.590 -7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.727 10.026 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.662 10.304 -7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.762 11.546 -6.617 1.00 0.00 H new ATOM 707 N ARG A 47 2.533 10.601 -4.472 1.00 0.00 N ATOM 708 CA ARG A 47 1.631 11.334 -3.587 1.00 0.00 C ATOM 709 C ARG A 47 1.511 10.625 -2.242 1.00 0.00 C ATOM 710 O ARG A 47 1.944 9.484 -2.084 1.00 0.00 O ATOM 711 CB ARG A 47 0.240 11.448 -4.215 1.00 0.00 C ATOM 712 CG ARG A 47 -0.265 10.054 -4.596 1.00 0.00 C ATOM 713 CD ARG A 47 -1.640 10.170 -5.255 1.00 0.00 C ATOM 714 NE ARG A 47 -2.560 10.913 -4.398 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.520 11.671 -4.921 1.00 0.00 C ATOM 716 NH1 ARG A 47 -3.225 12.824 -5.455 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.760 11.261 -4.897 1.00 0.00 N ATOM 0 H ARG A 47 2.267 9.631 -4.644 1.00 0.00 H new ATOM 0 HA ARG A 47 2.045 12.331 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.450 11.917 -3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.279 12.086 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.437 9.575 -5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.327 9.424 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.546 10.672 -6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.040 9.175 -5.451 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.465 10.850 -3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.257 13.145 -5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.962 13.404 -5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.991 10.360 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.497 11.841 -5.298 1.00 0.00 H new ATOM 731 N ALA A 48 0.917 11.317 -1.273 1.00 0.00 N ATOM 732 CA ALA A 48 0.743 10.745 0.059 1.00 0.00 C ATOM 733 C ALA A 48 -0.282 9.616 0.023 1.00 0.00 C ATOM 734 O ALA A 48 -1.237 9.649 -0.752 1.00 0.00 O ATOM 735 CB ALA A 48 0.270 11.817 1.044 1.00 0.00 C ATOM 0 H ALA A 48 0.552 12.263 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 48 1.706 10.352 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.145 11.374 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.010 12.616 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.683 12.226 0.707 1.00 0.00 H new ATOM 741 N VAL A 49 -0.071 8.616 0.873 1.00 0.00 N ATOM 742 CA VAL A 49 -0.980 7.475 0.933 1.00 0.00 C ATOM 743 C VAL A 49 -1.319 7.138 2.391 1.00 0.00 C ATOM 744 O VAL A 49 -0.604 6.366 3.031 1.00 0.00 O ATOM 745 CB VAL A 49 -0.346 6.247 0.274 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.382 5.125 0.175 1.00 0.00 C ATOM 747 CG2 VAL A 49 0.138 6.614 -1.132 1.00 0.00 C ATOM 0 H VAL A 49 0.713 8.571 1.524 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.891 7.743 0.398 1.00 0.00 H new ATOM 0 HB VAL A 49 0.498 5.911 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.929 4.252 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.729 4.861 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.227 5.462 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.589 5.740 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.708 6.951 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.877 7.412 -1.066 1.00 0.00 H new ATOM 757 N PRO A 50 -2.408 7.707 2.939 1.00 0.00 N ATOM 758 CA PRO A 50 -2.804 7.437 4.333 1.00 0.00 C ATOM 759 C PRO A 50 -3.557 6.117 4.481 1.00 0.00 C ATOM 760 O PRO A 50 -3.698 5.357 3.524 1.00 0.00 O ATOM 761 CB PRO A 50 -3.712 8.618 4.650 1.00 0.00 C ATOM 762 CG PRO A 50 -4.249 9.138 3.322 1.00 0.00 C ATOM 763 CD PRO A 50 -3.306 8.642 2.221 1.00 0.00 C ATOM 0 HA PRO A 50 -1.948 7.339 5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.529 8.311 5.303 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.161 9.398 5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.263 8.777 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.295 10.227 3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.850 8.142 1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.752 9.463 1.766 1.00 0.00 H new ATOM 771 N LEU A 51 -4.035 5.853 5.694 1.00 0.00 N ATOM 772 CA LEU A 51 -4.769 4.618 5.962 1.00 0.00 C ATOM 773 C LEU A 51 -6.036 4.554 5.113 1.00 0.00 C ATOM 774 O LEU A 51 -6.633 5.578 4.782 1.00 0.00 O ATOM 775 CB LEU A 51 -5.154 4.534 7.440 1.00 0.00 C ATOM 776 CG LEU A 51 -3.901 4.284 8.279 1.00 0.00 C ATOM 777 CD1 LEU A 51 -3.310 5.623 8.727 1.00 0.00 C ATOM 778 CD2 LEU A 51 -4.271 3.454 9.511 1.00 0.00 C ATOM 0 H LEU A 51 -3.930 6.470 6.500 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.120 3.780 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.637 5.459 7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.874 3.731 7.594 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.166 3.744 7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.417 5.444 9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.048 6.216 7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.045 6.163 9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.378 3.275 10.110 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.006 3.995 10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.693 2.500 9.194 1.00 0.00 H new ATOM 790 N GLY A 52 -6.437 3.333 4.765 1.00 0.00 N ATOM 791 CA GLY A 52 -7.636 3.137 3.955 1.00 0.00 C ATOM 792 C GLY A 52 -7.486 3.807 2.594 1.00 0.00 C ATOM 793 O GLY A 52 -8.244 4.712 2.243 1.00 0.00 O ATOM 0 H GLY A 52 -5.955 2.473 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.820 2.071 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.502 3.548 4.474 1.00 0.00 H new ATOM 797 N THR A 53 -6.498 3.351 1.830 1.00 0.00 N ATOM 798 CA THR A 53 -6.251 3.909 0.503 1.00 0.00 C ATOM 799 C THR A 53 -5.878 2.799 -0.474 1.00 0.00 C ATOM 800 O THR A 53 -4.814 2.188 -0.366 1.00 0.00 O ATOM 801 CB THR A 53 -5.118 4.940 0.555 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.407 5.911 1.550 1.00 0.00 O ATOM 803 CG2 THR A 53 -4.984 5.629 -0.805 1.00 0.00 C ATOM 0 H THR A 53 -5.860 2.603 2.103 1.00 0.00 H new ATOM 0 HA THR A 53 -7.164 4.399 0.165 1.00 0.00 H new ATOM 0 HB THR A 53 -4.183 4.435 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.873 5.727 2.351 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.178 6.361 -0.764 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.760 4.885 -1.569 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.919 6.132 -1.052 1.00 0.00 H new ATOM 811 N THR A 54 -6.768 2.544 -1.429 1.00 0.00 N ATOM 812 CA THR A 54 -6.527 1.502 -2.424 1.00 0.00 C ATOM 813 C THR A 54 -5.277 1.819 -3.239 1.00 0.00 C ATOM 814 O THR A 54 -5.292 2.683 -4.117 1.00 0.00 O ATOM 815 CB THR A 54 -7.723 1.380 -3.372 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.917 1.681 -2.666 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.799 -0.046 -3.924 1.00 0.00 C ATOM 0 H THR A 54 -7.654 3.038 -1.535 1.00 0.00 H new ATOM 0 HA THR A 54 -6.385 0.560 -1.895 1.00 0.00 H new ATOM 0 HB THR A 54 -7.603 2.080 -4.199 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.683 1.605 -3.272 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.651 -0.130 -4.598 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.882 -0.275 -4.467 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.918 -0.749 -3.100 1.00 0.00 H new ATOM 825 N LEU A 55 -4.193 1.108 -2.938 1.00 0.00 N ATOM 826 CA LEU A 55 -2.934 1.318 -3.648 1.00 0.00 C ATOM 827 C LEU A 55 -3.101 1.013 -5.133 1.00 0.00 C ATOM 828 O LEU A 55 -3.254 -0.143 -5.531 1.00 0.00 O ATOM 829 CB LEU A 55 -1.840 0.414 -3.076 1.00 0.00 C ATOM 830 CG LEU A 55 -0.470 1.040 -3.340 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.151 2.052 -2.238 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.596 -0.058 -3.347 1.00 0.00 C ATOM 0 H LEU A 55 -4.160 0.389 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.647 2.362 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.989 0.278 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.894 -0.574 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.480 1.546 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.825 2.499 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.912 2.833 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.139 1.547 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.574 0.385 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.606 -0.562 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.369 -0.781 -4.131 1.00 0.00 H new ATOM 844 N MET A 56 -3.071 2.063 -5.946 1.00 0.00 N ATOM 845 CA MET A 56 -3.220 1.901 -7.389 1.00 0.00 C ATOM 846 C MET A 56 -1.846 1.797 -8.059 1.00 0.00 C ATOM 847 O MET A 56 -0.829 2.124 -7.447 1.00 0.00 O ATOM 848 CB MET A 56 -3.975 3.091 -7.985 1.00 0.00 C ATOM 849 CG MET A 56 -5.476 2.797 -7.980 1.00 0.00 C ATOM 850 SD MET A 56 -6.295 3.820 -9.230 1.00 0.00 S ATOM 851 CE MET A 56 -7.571 4.516 -8.152 1.00 0.00 C ATOM 0 H MET A 56 -2.946 3.027 -5.636 1.00 0.00 H new ATOM 0 HA MET A 56 -3.784 0.986 -7.569 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.768 3.992 -7.408 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.634 3.279 -9.003 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.651 1.741 -8.187 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.895 3.003 -6.995 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.205 5.191 -8.727 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.179 3.710 -7.740 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.099 5.066 -7.338 1.00 0.00 H new ATOM 861 N PRO A 57 -1.792 1.343 -9.322 1.00 0.00 N ATOM 862 CA PRO A 57 -0.514 1.210 -10.047 1.00 0.00 C ATOM 863 C PRO A 57 -0.017 2.533 -10.632 1.00 0.00 C ATOM 864 O PRO A 57 1.166 2.684 -10.934 1.00 0.00 O ATOM 865 CB PRO A 57 -0.870 0.226 -11.155 1.00 0.00 C ATOM 866 CG PRO A 57 -2.375 0.316 -11.370 1.00 0.00 C ATOM 867 CD PRO A 57 -2.983 0.936 -10.107 1.00 0.00 C ATOM 0 HA PRO A 57 0.299 0.885 -9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.335 0.470 -12.073 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.581 -0.788 -10.877 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.602 0.926 -12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.796 -0.673 -11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.620 1.788 -10.343 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.598 0.220 -9.563 1.00 0.00 H new ATOM 875 N ASP A 58 -0.931 3.488 -10.791 1.00 0.00 N ATOM 876 CA ASP A 58 -0.567 4.790 -11.342 1.00 0.00 C ATOM 877 C ASP A 58 0.165 5.632 -10.300 1.00 0.00 C ATOM 878 O ASP A 58 1.160 6.292 -10.603 1.00 0.00 O ATOM 879 CB ASP A 58 -1.816 5.544 -11.803 1.00 0.00 C ATOM 880 CG ASP A 58 -2.814 5.628 -10.653 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.657 6.507 -9.822 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.719 4.811 -10.620 1.00 0.00 O ATOM 0 H ASP A 58 -1.917 3.387 -10.549 1.00 0.00 H new ATOM 0 HA ASP A 58 0.091 4.619 -12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.546 6.546 -12.138 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.268 5.034 -12.654 1.00 0.00 H new ATOM 887 N MET A 59 -0.340 5.604 -9.070 1.00 0.00 N ATOM 888 CA MET A 59 0.267 6.368 -7.988 1.00 0.00 C ATOM 889 C MET A 59 1.672 5.855 -7.677 1.00 0.00 C ATOM 890 O MET A 59 2.530 6.604 -7.212 1.00 0.00 O ATOM 891 CB MET A 59 -0.593 6.274 -6.727 1.00 0.00 C ATOM 892 CG MET A 59 -0.896 4.806 -6.408 1.00 0.00 C ATOM 893 SD MET A 59 -1.051 4.595 -4.617 1.00 0.00 S ATOM 894 CE MET A 59 -2.462 5.703 -4.380 1.00 0.00 C ATOM 0 H MET A 59 -1.162 5.064 -8.800 1.00 0.00 H new ATOM 0 HA MET A 59 0.334 7.407 -8.310 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.075 6.738 -5.888 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.524 6.823 -6.870 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.818 4.499 -6.902 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.100 4.168 -6.792 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.933 5.492 -3.420 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.119 6.738 -4.397 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.185 5.547 -5.181 1.00 0.00 H new ATOM 904 N VAL A 60 1.900 4.569 -7.937 1.00 0.00 N ATOM 905 CA VAL A 60 3.208 3.973 -7.678 1.00 0.00 C ATOM 906 C VAL A 60 4.112 4.130 -8.900 1.00 0.00 C ATOM 907 O VAL A 60 4.045 3.345 -9.845 1.00 0.00 O ATOM 908 CB VAL A 60 3.058 2.485 -7.338 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.423 1.894 -6.970 1.00 0.00 C ATOM 910 CG2 VAL A 60 2.107 2.332 -6.151 1.00 0.00 C ATOM 0 H VAL A 60 1.206 3.928 -8.322 1.00 0.00 H new ATOM 0 HA VAL A 60 3.659 4.489 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 60 2.659 1.957 -8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.309 0.837 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.106 2.003 -7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.827 2.421 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.998 1.275 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.511 2.864 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.133 2.747 -6.409 1.00 0.00 H new ATOM 920 N LYS A 61 4.958 5.156 -8.865 1.00 0.00 N ATOM 921 CA LYS A 61 5.875 5.415 -9.971 1.00 0.00 C ATOM 922 C LYS A 61 6.896 4.288 -10.089 1.00 0.00 C ATOM 923 O LYS A 61 7.557 3.925 -9.116 1.00 0.00 O ATOM 924 CB LYS A 61 6.615 6.736 -9.757 1.00 0.00 C ATOM 925 CG LYS A 61 5.810 7.879 -10.380 1.00 0.00 C ATOM 926 CD LYS A 61 6.201 8.038 -11.850 1.00 0.00 C ATOM 927 CE LYS A 61 5.284 9.065 -12.516 1.00 0.00 C ATOM 928 NZ LYS A 61 4.130 8.365 -13.149 1.00 0.00 N ATOM 0 H LYS A 61 5.028 5.816 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 61 5.288 5.474 -10.888 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.758 6.916 -8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.606 6.687 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.743 7.673 -10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.999 8.807 -9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.240 8.358 -11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.124 7.079 -12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.927 9.783 -11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.837 9.629 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.506 9.063 -13.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.480 7.697 -13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.598 7.846 -12.422 1.00 0.00 H new ATOM 942 N GLY A 62 7.012 3.736 -11.293 1.00 0.00 N ATOM 943 CA GLY A 62 7.951 2.643 -11.532 1.00 0.00 C ATOM 944 C GLY A 62 7.205 1.323 -11.700 1.00 0.00 C ATOM 945 O GLY A 62 7.645 0.433 -12.426 1.00 0.00 O ATOM 0 H GLY A 62 6.474 4.023 -12.111 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.540 2.851 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.651 2.568 -10.699 1.00 0.00 H new ATOM 949 N TYR A 63 6.069 1.211 -11.017 1.00 0.00 N ATOM 950 CA TYR A 63 5.260 -0.001 -11.093 1.00 0.00 C ATOM 951 C TYR A 63 4.677 -0.160 -12.495 1.00 0.00 C ATOM 952 O TYR A 63 5.025 -1.086 -13.227 1.00 0.00 O ATOM 953 CB TYR A 63 4.119 0.059 -10.072 1.00 0.00 C ATOM 954 CG TYR A 63 3.381 -1.260 -10.048 1.00 0.00 C ATOM 955 CD1 TYR A 63 4.067 -2.453 -9.700 1.00 0.00 C ATOM 956 CD2 TYR A 63 2.001 -1.302 -10.377 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.369 -3.692 -9.680 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.303 -2.539 -10.357 1.00 0.00 C ATOM 959 CZ TYR A 63 1.988 -3.735 -10.010 1.00 0.00 C ATOM 960 OH TYR A 63 1.311 -4.938 -9.991 1.00 0.00 O ATOM 0 H TYR A 63 5.691 1.938 -10.410 1.00 0.00 H new ATOM 0 HA TYR A 63 5.899 -0.856 -10.870 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.517 0.281 -9.082 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.432 0.866 -10.328 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.117 -2.420 -9.451 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.481 -0.393 -10.643 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.889 -4.600 -9.414 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.252 -2.571 -10.605 1.00 0.00 H new ATOM 0 HH TYR A 63 0.375 -4.791 -10.240 1.00 0.00 H new ATOM 970 N ALA A 64 3.786 0.760 -12.861 1.00 0.00 N ATOM 971 CA ALA A 64 3.156 0.719 -14.180 1.00 0.00 C ATOM 972 C ALA A 64 2.377 -0.584 -14.363 1.00 0.00 C ATOM 973 O ALA A 64 2.550 -1.302 -15.350 1.00 0.00 O ATOM 974 CB ALA A 64 4.215 0.840 -15.281 1.00 0.00 C ATOM 0 H ALA A 64 3.486 1.535 -12.270 1.00 0.00 H new ATOM 0 HA ALA A 64 2.465 1.559 -14.252 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.731 0.808 -16.257 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.748 1.785 -15.171 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.921 0.014 -15.199 1.00 0.00 H new ATOM 980 N ALA A 65 1.512 -0.880 -13.395 1.00 0.00 N ATOM 981 CA ALA A 65 0.705 -2.097 -13.449 1.00 0.00 C ATOM 982 C ALA A 65 1.600 -3.334 -13.476 1.00 0.00 C ATOM 983 O ALA A 65 1.088 -4.406 -13.756 1.00 0.00 O ATOM 984 CB ALA A 65 -0.183 -2.099 -14.696 1.00 0.00 C ATOM 0 H ALA A 65 1.353 -0.300 -12.571 1.00 0.00 H new ATOM 0 HA ALA A 65 0.079 -2.121 -12.557 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.776 -3.013 -14.719 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.848 -1.235 -14.671 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.442 -2.050 -15.588 1.00 0.00 H new TER 990 ALA A 65