USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 9 ASN : amide:sc= 1.04 K(o=2.6,f=-7.9!) USER MOD Set 1.2: A 21 LYS NZ :NH3+ -124:sc= 1.61 (180deg=0.303) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0616) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.29 (180deg=0.872) USER MOD Single : A 2 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.085) USER MOD Single : A 3 HIS : no HD1:sc= -0.833 K(o=-0.83,f=-0.033) USER MOD Single : A 16 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.21) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -37:sc= 0.405 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -120:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.617 K(o=0.62,f=-0.26) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.668 X(o=-0.67,f=-0.43) USER MOD Single : A 47 THR OG1 : rot 78:sc= 0.59 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 48:sc= 0.0208 USER MOD Single : A 63 SER OG : rot -102:sc= 0.0433 USER MOD Single : A 65 GLN : amide:sc= -0.0432 X(o=-0.043,f=-0.019) USER MOD Single : A 66 THR OG1 : rot -131:sc= 1.29 USER MOD Single : A 69 THR OG1 : rot 32:sc= 1.1 USER MOD Single : A 72 SER OG : rot -150:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0.699 (180deg=0.677) USER MOD Single : A 82 SER OG : rot 98:sc= 0.583 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.352 -8.246 -5.147 1.00 0.00 N ATOM 2 CA MET A 1 -6.890 -8.039 -5.037 1.00 0.00 C ATOM 3 C MET A 1 -6.205 -9.311 -4.525 1.00 0.00 C ATOM 4 O MET A 1 -6.762 -10.034 -3.693 1.00 0.00 O ATOM 5 CB MET A 1 -6.561 -6.839 -4.099 1.00 0.00 C ATOM 6 CG MET A 1 -6.968 -5.473 -4.659 1.00 0.00 C ATOM 7 SD MET A 1 -8.753 -5.300 -4.891 1.00 0.00 S ATOM 8 CE MET A 1 -9.344 -5.188 -3.196 1.00 0.00 C ATOM 0 H1 MET A 1 -8.832 -7.324 -5.177 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.563 -8.775 -6.017 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.689 -8.785 -4.324 1.00 0.00 H new ATOM 0 HA MET A 1 -6.510 -7.809 -6.032 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.063 -6.991 -3.143 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.490 -6.832 -3.899 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.619 -4.692 -3.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.467 -5.315 -5.614 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.405 -4.937 -3.196 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.198 -6.145 -2.696 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.788 -4.414 -2.667 1.00 0.00 H new ATOM 18 N GLN A 2 -5.011 -9.583 -5.059 1.00 0.00 N ATOM 19 CA GLN A 2 -4.119 -10.660 -4.583 1.00 0.00 C ATOM 20 C GLN A 2 -3.041 -10.085 -3.636 1.00 0.00 C ATOM 21 O GLN A 2 -2.686 -10.697 -2.621 1.00 0.00 O ATOM 22 CB GLN A 2 -3.443 -11.372 -5.786 1.00 0.00 C ATOM 23 CG GLN A 2 -2.735 -10.430 -6.798 1.00 0.00 C ATOM 24 CD GLN A 2 -1.594 -11.085 -7.576 1.00 0.00 C ATOM 25 OE1 GLN A 2 -1.365 -10.784 -8.742 1.00 0.00 O ATOM 26 NE2 GLN A 2 -0.828 -11.929 -6.908 1.00 0.00 N ATOM 0 H GLN A 2 -4.626 -9.058 -5.844 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.718 -11.387 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.711 -12.083 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.199 -11.949 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.474 -10.056 -7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.343 -9.567 -6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.047 -12.158 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.018 -12.351 -7.362 1.00 0.00 H new ATOM 35 N HIS A 3 -2.558 -8.873 -3.979 1.00 0.00 N ATOM 36 CA HIS A 3 -1.380 -8.251 -3.356 1.00 0.00 C ATOM 37 C HIS A 3 -1.660 -7.704 -1.960 1.00 0.00 C ATOM 38 O HIS A 3 -0.706 -7.417 -1.229 1.00 0.00 O ATOM 39 CB HIS A 3 -0.799 -7.132 -4.250 1.00 0.00 C ATOM 40 CG HIS A 3 -0.112 -7.612 -5.506 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.946 -8.491 -5.493 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.308 -7.300 -6.807 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.362 -8.700 -6.721 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.619 -7.984 -7.539 1.00 0.00 N ATOM 0 H HIS A 3 -2.982 -8.295 -4.705 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.644 -9.048 -3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.606 -6.456 -4.531 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.087 -6.552 -3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.061 -6.631 -7.196 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.175 -9.349 -7.011 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.720 -7.947 -8.553 1.00 0.00 H new ATOM 53 N LEU A 4 -2.951 -7.601 -1.577 1.00 0.00 N ATOM 54 CA LEU A 4 -3.351 -7.071 -0.242 1.00 0.00 C ATOM 55 C LEU A 4 -2.717 -7.887 0.911 1.00 0.00 C ATOM 56 O LEU A 4 -2.583 -7.380 2.020 1.00 0.00 O ATOM 57 CB LEU A 4 -4.902 -7.020 -0.070 1.00 0.00 C ATOM 58 CG LEU A 4 -5.635 -8.356 0.306 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.131 -8.104 0.575 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.453 -9.452 -0.771 1.00 0.00 C ATOM 0 H LEU A 4 -3.737 -7.875 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.972 -6.050 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.131 -6.283 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.332 -6.652 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.171 -8.724 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.618 -9.044 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.239 -7.401 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.596 -7.688 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.979 -10.356 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.859 -9.101 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.392 -9.673 -0.890 1.00 0.00 H new ATOM 72 N GLU A 5 -2.329 -9.149 0.597 1.00 0.00 N ATOM 73 CA GLU A 5 -1.650 -10.060 1.526 1.00 0.00 C ATOM 74 C GLU A 5 -0.307 -9.464 2.000 1.00 0.00 C ATOM 75 O GLU A 5 -0.111 -9.245 3.197 1.00 0.00 O ATOM 76 CB GLU A 5 -1.419 -11.429 0.832 1.00 0.00 C ATOM 77 CG GLU A 5 -0.728 -12.503 1.706 1.00 0.00 C ATOM 78 CD GLU A 5 -0.502 -13.827 0.954 1.00 0.00 C ATOM 79 OE1 GLU A 5 -1.451 -14.641 0.854 1.00 0.00 O ATOM 80 OE2 GLU A 5 0.612 -14.046 0.426 1.00 0.00 O ATOM 0 H GLU A 5 -2.486 -9.559 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.281 -10.202 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.382 -11.818 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.816 -11.268 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.231 -12.120 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.336 -12.692 2.591 1.00 0.00 H new ATOM 87 N ALA A 6 0.598 -9.179 1.036 1.00 0.00 N ATOM 88 CA ALA A 6 1.933 -8.640 1.338 1.00 0.00 C ATOM 89 C ALA A 6 1.873 -7.165 1.733 1.00 0.00 C ATOM 90 O ALA A 6 2.758 -6.692 2.426 1.00 0.00 O ATOM 91 CB ALA A 6 2.898 -8.842 0.171 1.00 0.00 C ATOM 0 H ALA A 6 0.422 -9.316 0.041 1.00 0.00 H new ATOM 0 HA ALA A 6 2.312 -9.201 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.874 -8.431 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.997 -9.907 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.513 -8.332 -0.712 1.00 0.00 H new ATOM 97 N VAL A 7 0.825 -6.445 1.287 1.00 0.00 N ATOM 98 CA VAL A 7 0.595 -5.053 1.699 1.00 0.00 C ATOM 99 C VAL A 7 0.332 -5.002 3.225 1.00 0.00 C ATOM 100 O VAL A 7 1.057 -4.320 3.952 1.00 0.00 O ATOM 101 CB VAL A 7 -0.593 -4.378 0.910 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.887 -2.966 1.447 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.301 -4.309 -0.610 1.00 0.00 C ATOM 0 H VAL A 7 0.125 -6.809 0.640 1.00 0.00 H new ATOM 0 HA VAL A 7 1.493 -4.483 1.459 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.472 -5.004 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.710 -2.527 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.160 -3.027 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.001 -2.343 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.141 -3.838 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.602 -3.723 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.158 -5.317 -0.999 1.00 0.00 H new ATOM 113 N ARG A 8 -0.667 -5.785 3.702 1.00 0.00 N ATOM 114 CA ARG A 8 -1.037 -5.811 5.141 1.00 0.00 C ATOM 115 C ARG A 8 0.067 -6.471 5.966 1.00 0.00 C ATOM 116 O ARG A 8 0.249 -6.129 7.136 1.00 0.00 O ATOM 117 CB ARG A 8 -2.405 -6.512 5.388 1.00 0.00 C ATOM 118 CG ARG A 8 -2.462 -8.033 5.112 1.00 0.00 C ATOM 119 CD ARG A 8 -3.879 -8.613 5.297 1.00 0.00 C ATOM 120 NE ARG A 8 -3.933 -10.073 5.071 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.962 -10.872 5.423 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.009 -10.392 6.081 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.930 -12.162 5.129 1.00 0.00 N ATOM 0 H ARG A 8 -1.228 -6.403 3.116 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.148 -4.776 5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.692 -6.343 6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.155 -6.024 4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.123 -8.227 4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.772 -8.547 5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.228 -8.393 6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.563 -8.117 4.608 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.132 -10.509 4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.046 -9.403 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.777 -11.012 6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.127 -12.553 4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.708 -12.765 5.395 1.00 0.00 H new ATOM 137 N ASN A 9 0.826 -7.391 5.327 1.00 0.00 N ATOM 138 CA ASN A 9 1.971 -8.066 5.951 1.00 0.00 C ATOM 139 C ASN A 9 3.020 -7.032 6.372 1.00 0.00 C ATOM 140 O ASN A 9 3.410 -6.968 7.538 1.00 0.00 O ATOM 141 CB ASN A 9 2.582 -9.092 4.961 1.00 0.00 C ATOM 142 CG ASN A 9 3.795 -9.850 5.499 1.00 0.00 C ATOM 143 OD1 ASN A 9 3.902 -10.120 6.694 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.716 -10.215 4.614 1.00 0.00 N ATOM 0 H ASN A 9 0.656 -7.681 4.364 1.00 0.00 H new ATOM 0 HA ASN A 9 1.634 -8.600 6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.813 -9.813 4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.872 -8.569 4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.539 -10.734 4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.600 -9.977 3.629 1.00 0.00 H new ATOM 151 N ILE A 10 3.400 -6.191 5.407 1.00 0.00 N ATOM 152 CA ILE A 10 4.412 -5.146 5.585 1.00 0.00 C ATOM 153 C ILE A 10 3.950 -4.103 6.607 1.00 0.00 C ATOM 154 O ILE A 10 4.664 -3.819 7.560 1.00 0.00 O ATOM 155 CB ILE A 10 4.746 -4.451 4.216 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.469 -5.448 3.251 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.593 -3.175 4.421 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.679 -4.913 1.845 1.00 0.00 C ATOM 0 H ILE A 10 3.008 -6.217 4.466 1.00 0.00 H new ATOM 0 HA ILE A 10 5.317 -5.622 5.963 1.00 0.00 H new ATOM 0 HB ILE A 10 3.803 -4.151 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.438 -5.710 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.887 -6.368 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.806 -2.720 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.042 -2.468 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.530 -3.435 4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.186 -5.666 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.713 -4.679 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.288 -4.010 1.886 1.00 0.00 H new ATOM 170 N LEU A 11 2.738 -3.563 6.408 1.00 0.00 N ATOM 171 CA LEU A 11 2.197 -2.473 7.239 1.00 0.00 C ATOM 172 C LEU A 11 2.067 -2.896 8.714 1.00 0.00 C ATOM 173 O LEU A 11 2.382 -2.122 9.615 1.00 0.00 O ATOM 174 CB LEU A 11 0.833 -2.015 6.672 1.00 0.00 C ATOM 175 CG LEU A 11 0.876 -1.428 5.220 1.00 0.00 C ATOM 176 CD1 LEU A 11 -0.538 -1.247 4.653 1.00 0.00 C ATOM 177 CD2 LEU A 11 1.663 -0.103 5.167 1.00 0.00 C ATOM 0 H LEU A 11 2.105 -3.868 5.668 1.00 0.00 H new ATOM 0 HA LEU A 11 2.895 -1.636 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.150 -2.864 6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.415 -1.261 7.339 1.00 0.00 H new ATOM 0 HG LEU A 11 1.401 -2.149 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.476 -0.838 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.044 -2.212 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.100 -0.562 5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.672 0.274 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.188 0.629 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.687 -0.274 5.499 1.00 0.00 H new ATOM 189 N GLY A 12 1.641 -4.143 8.951 1.00 0.00 N ATOM 190 CA GLY A 12 1.567 -4.672 10.302 1.00 0.00 C ATOM 191 C GLY A 12 2.921 -5.055 10.874 1.00 0.00 C ATOM 192 O GLY A 12 3.088 -5.093 12.095 1.00 0.00 O ATOM 0 H GLY A 12 1.346 -4.795 8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.104 -3.929 10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.918 -5.548 10.307 1.00 0.00 H new ATOM 196 N ASP A 13 3.889 -5.341 9.986 1.00 0.00 N ATOM 197 CA ASP A 13 5.261 -5.710 10.383 1.00 0.00 C ATOM 198 C ASP A 13 6.089 -4.456 10.734 1.00 0.00 C ATOM 199 O ASP A 13 7.034 -4.534 11.525 1.00 0.00 O ATOM 200 CB ASP A 13 5.935 -6.520 9.244 1.00 0.00 C ATOM 201 CG ASP A 13 7.229 -7.230 9.666 1.00 0.00 C ATOM 202 OD1 ASP A 13 7.150 -8.229 10.411 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.323 -6.810 9.248 1.00 0.00 O ATOM 0 H ASP A 13 3.744 -5.323 8.976 1.00 0.00 H new ATOM 0 HA ASP A 13 5.214 -6.333 11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.229 -7.263 8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.155 -5.848 8.415 1.00 0.00 H new ATOM 208 N VAL A 14 5.724 -3.303 10.132 1.00 0.00 N ATOM 209 CA VAL A 14 6.378 -2.008 10.397 1.00 0.00 C ATOM 210 C VAL A 14 5.722 -1.337 11.618 1.00 0.00 C ATOM 211 O VAL A 14 6.384 -1.117 12.637 1.00 0.00 O ATOM 212 CB VAL A 14 6.314 -1.047 9.142 1.00 0.00 C ATOM 213 CG1 VAL A 14 6.950 0.335 9.441 1.00 0.00 C ATOM 214 CG2 VAL A 14 6.986 -1.693 7.905 1.00 0.00 C ATOM 0 H VAL A 14 4.968 -3.247 9.450 1.00 0.00 H new ATOM 0 HA VAL A 14 7.431 -2.199 10.605 1.00 0.00 H new ATOM 0 HB VAL A 14 5.259 -0.888 8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.886 0.965 8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.416 0.811 10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.996 0.202 9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.926 -1.008 7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.032 -1.904 8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.474 -2.622 7.657 1.00 0.00 H new ATOM 224 N LEU A 15 4.394 -1.078 11.530 1.00 0.00 N ATOM 225 CA LEU A 15 3.646 -0.328 12.571 1.00 0.00 C ATOM 226 C LEU A 15 3.334 -1.198 13.816 1.00 0.00 C ATOM 227 O LEU A 15 2.628 -0.733 14.715 1.00 0.00 O ATOM 228 CB LEU A 15 2.326 0.305 12.015 1.00 0.00 C ATOM 229 CG LEU A 15 2.454 1.471 10.961 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.626 2.423 11.280 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.527 0.948 9.514 1.00 0.00 C ATOM 0 H LEU A 15 3.816 -1.379 10.745 1.00 0.00 H new ATOM 0 HA LEU A 15 4.307 0.481 12.881 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.738 -0.493 11.561 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.753 0.681 12.862 1.00 0.00 H new ATOM 0 HG LEU A 15 1.537 2.055 11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.672 3.209 10.526 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.474 2.871 12.262 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.561 1.863 11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.614 1.790 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.396 0.299 9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.622 0.385 9.285 1.00 0.00 H new ATOM 243 N ASN A 16 3.836 -2.456 13.826 1.00 0.00 N ATOM 244 CA ASN A 16 3.873 -3.334 15.026 1.00 0.00 C ATOM 245 C ASN A 16 2.452 -3.830 15.402 1.00 0.00 C ATOM 246 O ASN A 16 2.091 -3.954 16.576 1.00 0.00 O ATOM 247 CB ASN A 16 4.608 -2.607 16.205 1.00 0.00 C ATOM 248 CG ASN A 16 5.006 -3.523 17.374 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.260 -3.689 18.338 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.182 -4.133 17.287 1.00 0.00 N ATOM 0 H ASN A 16 4.231 -2.896 12.995 1.00 0.00 H new ATOM 0 HA ASN A 16 4.449 -4.230 14.797 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.506 -2.127 15.815 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.962 -1.815 16.585 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.488 -4.759 18.032 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.779 -3.976 16.475 1.00 0.00 H new ATOM 257 N LEU A 17 1.647 -4.126 14.366 1.00 0.00 N ATOM 258 CA LEU A 17 0.317 -4.760 14.521 1.00 0.00 C ATOM 259 C LEU A 17 0.477 -6.262 14.831 1.00 0.00 C ATOM 260 O LEU A 17 -0.350 -6.838 15.545 1.00 0.00 O ATOM 261 CB LEU A 17 -0.553 -4.547 13.237 1.00 0.00 C ATOM 262 CG LEU A 17 -1.240 -3.143 13.056 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.250 -1.969 13.178 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.998 -3.071 11.706 1.00 0.00 C ATOM 0 H LEU A 17 1.896 -3.934 13.396 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.198 -4.286 15.357 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.079 -4.728 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.333 -5.308 13.228 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.953 -3.042 13.874 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.783 -1.028 13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.214 -1.986 14.164 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.520 -2.062 12.412 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.465 -2.092 11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.297 -3.227 10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.766 -3.844 11.678 1.00 0.00 H new ATOM 276 N GLY A 18 1.550 -6.878 14.283 1.00 0.00 N ATOM 277 CA GLY A 18 1.857 -8.292 14.514 1.00 0.00 C ATOM 278 C GLY A 18 0.823 -9.239 13.910 1.00 0.00 C ATOM 279 O GLY A 18 0.896 -9.561 12.726 1.00 0.00 O ATOM 0 H GLY A 18 2.218 -6.405 13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.837 -8.518 14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.922 -8.472 15.587 1.00 0.00 H new ATOM 283 N GLU A 19 -0.141 -9.676 14.732 1.00 0.00 N ATOM 284 CA GLU A 19 -1.231 -10.588 14.319 1.00 0.00 C ATOM 285 C GLU A 19 -2.455 -9.791 13.814 1.00 0.00 C ATOM 286 O GLU A 19 -3.234 -10.288 12.987 1.00 0.00 O ATOM 287 CB GLU A 19 -1.617 -11.490 15.526 1.00 0.00 C ATOM 288 CG GLU A 19 -2.744 -12.515 15.260 1.00 0.00 C ATOM 289 CD GLU A 19 -3.147 -13.307 16.513 1.00 0.00 C ATOM 290 OE1 GLU A 19 -3.819 -12.737 17.400 1.00 0.00 O ATOM 291 OE2 GLU A 19 -2.791 -14.495 16.628 1.00 0.00 O ATOM 0 H GLU A 19 -0.192 -9.407 15.714 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.887 -11.213 13.495 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.728 -12.030 15.852 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.921 -10.849 16.353 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.618 -11.992 14.871 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.419 -13.211 14.487 1.00 0.00 H new ATOM 298 N ARG A 20 -2.587 -8.534 14.290 1.00 0.00 N ATOM 299 CA ARG A 20 -3.748 -7.661 13.990 1.00 0.00 C ATOM 300 C ARG A 20 -3.841 -7.346 12.473 1.00 0.00 C ATOM 301 O ARG A 20 -4.937 -7.106 11.946 1.00 0.00 O ATOM 302 CB ARG A 20 -3.655 -6.370 14.864 1.00 0.00 C ATOM 303 CG ARG A 20 -4.884 -5.405 14.828 1.00 0.00 C ATOM 304 CD ARG A 20 -4.850 -4.378 13.671 1.00 0.00 C ATOM 305 NE ARG A 20 -6.110 -3.627 13.547 1.00 0.00 N ATOM 306 CZ ARG A 20 -7.220 -4.069 12.922 1.00 0.00 C ATOM 307 NH1 ARG A 20 -7.262 -5.278 12.367 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.290 -3.287 12.852 1.00 0.00 N ATOM 0 H ARG A 20 -1.893 -8.094 14.894 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.671 -8.181 14.244 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.490 -6.671 15.898 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.774 -5.810 14.550 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.795 -5.998 14.746 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.938 -4.867 15.775 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.029 -3.680 13.833 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.646 -4.897 12.734 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.146 -2.698 13.967 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.445 -5.888 12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.111 -5.595 11.898 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.270 -2.357 13.270 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.132 -3.616 12.380 1.00 0.00 H new ATOM 322 N LYS A 21 -2.695 -7.377 11.778 1.00 0.00 N ATOM 323 CA LYS A 21 -2.629 -7.135 10.319 1.00 0.00 C ATOM 324 C LYS A 21 -3.345 -8.249 9.521 1.00 0.00 C ATOM 325 O LYS A 21 -3.894 -8.006 8.448 1.00 0.00 O ATOM 326 CB LYS A 21 -1.167 -7.017 9.871 1.00 0.00 C ATOM 327 CG LYS A 21 -0.367 -8.316 9.995 1.00 0.00 C ATOM 328 CD LYS A 21 1.103 -8.160 9.598 1.00 0.00 C ATOM 329 CE LYS A 21 1.827 -9.498 9.583 1.00 0.00 C ATOM 330 NZ LYS A 21 3.267 -9.353 9.244 1.00 0.00 N ATOM 0 H LYS A 21 -1.788 -7.569 12.204 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.146 -6.198 10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.142 -6.686 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.678 -6.244 10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.423 -8.673 11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.827 -9.079 9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.167 -7.701 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.599 -7.486 10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.731 -9.972 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.350 -10.159 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.492 -9.948 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.472 -8.359 9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.846 -9.650 10.055 1.00 0.00 H new ATOM 344 N HIS A 22 -3.337 -9.464 10.080 1.00 0.00 N ATOM 345 CA HIS A 22 -3.875 -10.664 9.422 1.00 0.00 C ATOM 346 C HIS A 22 -5.410 -10.749 9.589 1.00 0.00 C ATOM 347 O HIS A 22 -6.088 -11.394 8.788 1.00 0.00 O ATOM 348 CB HIS A 22 -3.171 -11.914 10.013 1.00 0.00 C ATOM 349 CG HIS A 22 -3.551 -13.226 9.377 1.00 0.00 C ATOM 350 ND1 HIS A 22 -4.357 -14.160 9.993 1.00 0.00 N ATOM 351 CD2 HIS A 22 -3.214 -13.764 8.179 1.00 0.00 C ATOM 352 CE1 HIS A 22 -4.499 -15.205 9.211 1.00 0.00 C ATOM 353 NE2 HIS A 22 -3.819 -14.990 8.105 1.00 0.00 N ATOM 0 H HIS A 22 -2.955 -9.646 11.008 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.677 -10.613 8.351 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.093 -11.782 9.919 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.394 -11.967 11.079 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.587 -13.311 7.425 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.075 -16.090 9.437 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -3.753 -15.635 7.317 1.00 0.00 H new ATOM 362 N THR A 23 -5.953 -10.070 10.621 1.00 0.00 N ATOM 363 CA THR A 23 -7.406 -10.089 10.921 1.00 0.00 C ATOM 364 C THR A 23 -8.153 -8.904 10.257 1.00 0.00 C ATOM 365 O THR A 23 -9.368 -8.760 10.436 1.00 0.00 O ATOM 366 CB THR A 23 -7.676 -10.122 12.475 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.065 -10.396 12.749 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.280 -8.815 13.174 1.00 0.00 C ATOM 0 H THR A 23 -5.407 -9.498 11.265 1.00 0.00 H new ATOM 0 HA THR A 23 -7.803 -11.008 10.490 1.00 0.00 H new ATOM 0 HB THR A 23 -7.051 -10.922 12.872 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.625 -9.948 12.081 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.488 -8.895 14.241 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.216 -8.630 13.025 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.854 -7.989 12.754 1.00 0.00 H new ATOM 376 N LEU A 24 -7.442 -8.065 9.475 1.00 0.00 N ATOM 377 CA LEU A 24 -8.073 -6.940 8.736 1.00 0.00 C ATOM 378 C LEU A 24 -8.116 -7.236 7.224 1.00 0.00 C ATOM 379 O LEU A 24 -7.343 -8.056 6.724 1.00 0.00 O ATOM 380 CB LEU A 24 -7.373 -5.582 9.069 1.00 0.00 C ATOM 381 CG LEU A 24 -5.827 -5.431 8.817 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.477 -5.232 7.325 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.235 -4.278 9.663 1.00 0.00 C ATOM 0 H LEU A 24 -6.434 -8.141 9.336 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.107 -6.842 9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.876 -4.804 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.556 -5.369 10.122 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.375 -6.372 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.397 -5.134 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.824 -6.092 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.963 -4.329 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.166 -4.196 9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.725 -3.342 9.395 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.397 -4.483 10.721 1.00 0.00 H new ATOM 395 N THR A 25 -9.016 -6.545 6.505 1.00 0.00 N ATOM 396 CA THR A 25 -9.256 -6.765 5.059 1.00 0.00 C ATOM 397 C THR A 25 -8.888 -5.512 4.244 1.00 0.00 C ATOM 398 O THR A 25 -8.371 -4.536 4.787 1.00 0.00 O ATOM 399 CB THR A 25 -10.759 -7.123 4.807 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.589 -6.091 5.362 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.146 -8.483 5.412 1.00 0.00 C ATOM 0 H THR A 25 -9.603 -5.814 6.907 1.00 0.00 H new ATOM 0 HA THR A 25 -8.625 -7.593 4.737 1.00 0.00 H new ATOM 0 HB THR A 25 -10.908 -7.195 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.531 -6.310 5.205 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.198 -8.685 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.534 -9.267 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.981 -8.462 6.489 1.00 0.00 H new ATOM 409 N ALA A 26 -9.165 -5.558 2.926 1.00 0.00 N ATOM 410 CA ALA A 26 -8.969 -4.411 2.016 1.00 0.00 C ATOM 411 C ALA A 26 -9.945 -3.250 2.330 1.00 0.00 C ATOM 412 O ALA A 26 -9.728 -2.114 1.898 1.00 0.00 O ATOM 413 CB ALA A 26 -9.112 -4.870 0.560 1.00 0.00 C ATOM 0 H ALA A 26 -9.530 -6.390 2.462 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.961 -4.027 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.966 -4.019 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.364 -5.632 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.108 -5.285 0.406 1.00 0.00 H new ATOM 419 N SER A 27 -11.025 -3.555 3.076 1.00 0.00 N ATOM 420 CA SER A 27 -11.980 -2.544 3.573 1.00 0.00 C ATOM 421 C SER A 27 -11.383 -1.729 4.742 1.00 0.00 C ATOM 422 O SER A 27 -11.801 -0.589 4.977 1.00 0.00 O ATOM 423 CB SER A 27 -13.294 -3.233 4.010 1.00 0.00 C ATOM 424 OG SER A 27 -13.922 -3.867 2.909 1.00 0.00 O ATOM 0 H SER A 27 -11.260 -4.509 3.351 1.00 0.00 H new ATOM 0 HA SER A 27 -12.192 -1.848 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.083 -3.968 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.969 -2.496 4.444 1.00 0.00 H new ATOM 0 HG SER A 27 -14.750 -4.298 3.208 1.00 0.00 H new ATOM 430 N SER A 28 -10.395 -2.323 5.447 1.00 0.00 N ATOM 431 CA SER A 28 -9.777 -1.731 6.652 1.00 0.00 C ATOM 432 C SER A 28 -9.052 -0.419 6.324 1.00 0.00 C ATOM 433 O SER A 28 -8.171 -0.392 5.463 1.00 0.00 O ATOM 434 CB SER A 28 -8.785 -2.722 7.296 1.00 0.00 C ATOM 435 OG SER A 28 -8.245 -2.227 8.515 1.00 0.00 O ATOM 0 H SER A 28 -10.003 -3.230 5.194 1.00 0.00 H new ATOM 0 HA SER A 28 -10.580 -1.515 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.291 -3.669 7.483 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.973 -2.926 6.598 1.00 0.00 H new ATOM 0 HG SER A 28 -7.270 -2.162 8.438 1.00 0.00 H new ATOM 441 N VAL A 29 -9.417 0.645 7.046 1.00 0.00 N ATOM 442 CA VAL A 29 -8.832 1.978 6.879 1.00 0.00 C ATOM 443 C VAL A 29 -7.470 2.018 7.599 1.00 0.00 C ATOM 444 O VAL A 29 -7.274 1.324 8.603 1.00 0.00 O ATOM 445 CB VAL A 29 -9.819 3.074 7.436 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.233 4.504 7.356 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.178 2.998 6.697 1.00 0.00 C ATOM 0 H VAL A 29 -10.134 0.604 7.770 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.672 2.191 5.822 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.972 2.858 8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.956 5.216 7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.315 4.554 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.014 4.750 6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.850 3.760 7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.023 3.167 5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.619 2.013 6.847 1.00 0.00 H new ATOM 457 N LEU A 30 -6.522 2.792 7.058 1.00 0.00 N ATOM 458 CA LEU A 30 -5.159 2.896 7.601 1.00 0.00 C ATOM 459 C LEU A 30 -4.892 4.323 8.078 1.00 0.00 C ATOM 460 O LEU A 30 -4.736 4.557 9.279 1.00 0.00 O ATOM 461 CB LEU A 30 -4.128 2.477 6.533 1.00 0.00 C ATOM 462 CG LEU A 30 -4.322 1.057 5.929 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.327 0.828 4.793 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.218 -0.055 7.009 1.00 0.00 C ATOM 0 H LEU A 30 -6.677 3.366 6.229 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.064 2.223 8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.157 3.204 5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.133 2.531 6.974 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.332 1.000 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.472 -0.169 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.487 1.573 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.310 0.917 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.360 -1.030 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.235 -0.016 7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.987 0.100 7.766 1.00 0.00 H new ATOM 476 N LEU A 31 -4.818 5.265 7.121 1.00 0.00 N ATOM 477 CA LEU A 31 -4.618 6.688 7.412 1.00 0.00 C ATOM 478 C LEU A 31 -5.807 7.206 8.251 1.00 0.00 C ATOM 479 O LEU A 31 -6.949 7.250 7.778 1.00 0.00 O ATOM 480 CB LEU A 31 -4.427 7.483 6.072 1.00 0.00 C ATOM 481 CG LEU A 31 -3.493 8.743 6.122 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.117 9.217 4.705 1.00 0.00 C ATOM 483 CD2 LEU A 31 -4.119 9.905 6.927 1.00 0.00 C ATOM 0 H LEU A 31 -4.896 5.057 6.125 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.712 6.837 8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.031 6.797 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.409 7.802 5.724 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.585 8.435 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.470 10.091 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.593 8.418 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.022 9.478 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.435 10.754 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.061 10.201 6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.303 9.580 7.951 1.00 0.00 H new ATOM 495 N GLY A 32 -5.515 7.526 9.519 1.00 0.00 N ATOM 496 CA GLY A 32 -6.511 8.023 10.469 1.00 0.00 C ATOM 497 C GLY A 32 -7.018 6.953 11.434 1.00 0.00 C ATOM 498 O GLY A 32 -7.473 7.282 12.539 1.00 0.00 O ATOM 0 H GLY A 32 -4.577 7.446 9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.078 8.843 11.042 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.356 8.433 9.916 1.00 0.00 H new ATOM 502 N ASN A 33 -6.981 5.669 11.012 1.00 0.00 N ATOM 503 CA ASN A 33 -7.429 4.532 11.855 1.00 0.00 C ATOM 504 C ASN A 33 -6.265 3.998 12.711 1.00 0.00 C ATOM 505 O ASN A 33 -6.406 3.833 13.931 1.00 0.00 O ATOM 506 CB ASN A 33 -8.017 3.398 10.977 1.00 0.00 C ATOM 507 CG ASN A 33 -8.606 2.226 11.781 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.165 2.408 12.861 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.474 1.010 11.273 1.00 0.00 N ATOM 0 H ASN A 33 -6.645 5.391 10.090 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.212 4.893 12.523 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.795 3.814 10.337 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.234 3.018 10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.839 0.203 11.779 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.007 0.880 10.376 1.00 0.00 H new ATOM 516 N ILE A 34 -5.119 3.738 12.061 1.00 0.00 N ATOM 517 CA ILE A 34 -3.906 3.256 12.735 1.00 0.00 C ATOM 518 C ILE A 34 -3.186 4.470 13.357 1.00 0.00 C ATOM 519 O ILE A 34 -2.764 5.370 12.616 1.00 0.00 O ATOM 520 CB ILE A 34 -2.919 2.512 11.749 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.671 1.449 10.873 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.741 1.856 12.521 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.364 0.326 11.644 1.00 0.00 C ATOM 0 H ILE A 34 -5.009 3.856 11.054 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.203 2.534 13.496 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.506 3.264 11.077 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.418 1.965 10.270 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.956 1.003 10.182 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.080 1.352 11.816 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.183 2.625 13.056 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.132 1.130 13.234 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.851 -0.351 10.942 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.625 -0.225 12.226 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.110 0.752 12.315 1.00 0.00 H new ATOM 535 N PRO A 35 -3.016 4.512 14.716 1.00 0.00 N ATOM 536 CA PRO A 35 -2.409 5.675 15.413 1.00 0.00 C ATOM 537 C PRO A 35 -0.880 5.750 15.232 1.00 0.00 C ATOM 538 O PRO A 35 -0.242 6.732 15.633 1.00 0.00 O ATOM 539 CB PRO A 35 -2.809 5.436 16.890 1.00 0.00 C ATOM 540 CG PRO A 35 -2.888 3.940 17.022 1.00 0.00 C ATOM 541 CD PRO A 35 -3.373 3.424 15.679 1.00 0.00 C ATOM 0 HA PRO A 35 -2.758 6.629 15.019 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.072 5.856 17.574 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.764 5.906 17.123 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.914 3.519 17.273 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.574 3.655 17.820 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.888 2.484 15.415 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.447 3.237 15.688 1.00 0.00 H new ATOM 549 N GLU A 36 -0.311 4.705 14.608 1.00 0.00 N ATOM 550 CA GLU A 36 1.134 4.553 14.422 1.00 0.00 C ATOM 551 C GLU A 36 1.576 5.101 13.054 1.00 0.00 C ATOM 552 O GLU A 36 2.761 5.393 12.853 1.00 0.00 O ATOM 553 CB GLU A 36 1.497 3.050 14.549 1.00 0.00 C ATOM 554 CG GLU A 36 0.950 2.348 15.811 1.00 0.00 C ATOM 555 CD GLU A 36 1.317 3.066 17.126 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.477 2.967 17.568 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.447 3.724 17.725 1.00 0.00 O ATOM 0 H GLU A 36 -0.852 3.935 14.215 1.00 0.00 H new ATOM 0 HA GLU A 36 1.658 5.126 15.188 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.122 2.526 13.670 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.583 2.952 14.540 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.135 2.278 15.736 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.334 1.328 15.844 1.00 0.00 H new ATOM 564 N LEU A 37 0.606 5.260 12.133 1.00 0.00 N ATOM 565 CA LEU A 37 0.880 5.659 10.745 1.00 0.00 C ATOM 566 C LEU A 37 0.932 7.202 10.646 1.00 0.00 C ATOM 567 O LEU A 37 -0.093 7.854 10.434 1.00 0.00 O ATOM 568 CB LEU A 37 -0.204 5.074 9.792 1.00 0.00 C ATOM 569 CG LEU A 37 0.046 5.291 8.264 1.00 0.00 C ATOM 570 CD1 LEU A 37 1.301 4.522 7.783 1.00 0.00 C ATOM 571 CD2 LEU A 37 -1.201 4.910 7.432 1.00 0.00 C ATOM 0 H LEU A 37 -0.384 5.116 12.332 1.00 0.00 H new ATOM 0 HA LEU A 37 1.847 5.260 10.439 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.286 4.003 9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.166 5.517 10.050 1.00 0.00 H new ATOM 0 HG LEU A 37 0.234 6.353 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.447 4.694 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.175 4.874 8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.166 3.456 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.996 5.072 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.443 3.860 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.045 5.529 7.737 1.00 0.00 H new ATOM 583 N ASP A 38 2.122 7.775 10.863 1.00 0.00 N ATOM 584 CA ASP A 38 2.362 9.241 10.809 1.00 0.00 C ATOM 585 C ASP A 38 3.438 9.557 9.725 1.00 0.00 C ATOM 586 O ASP A 38 3.796 8.679 8.954 1.00 0.00 O ATOM 587 CB ASP A 38 2.794 9.713 12.240 1.00 0.00 C ATOM 588 CG ASP A 38 2.702 11.235 12.478 1.00 0.00 C ATOM 589 OD1 ASP A 38 1.573 11.749 12.603 1.00 0.00 O ATOM 590 OD2 ASP A 38 3.747 11.924 12.507 1.00 0.00 O ATOM 0 H ASP A 38 2.960 7.238 11.084 1.00 0.00 H new ATOM 0 HA ASP A 38 1.460 9.782 10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.171 9.206 12.977 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.821 9.394 12.417 1.00 0.00 H new ATOM 595 N SER A 39 3.906 10.816 9.687 1.00 0.00 N ATOM 596 CA SER A 39 4.896 11.385 8.742 1.00 0.00 C ATOM 597 C SER A 39 6.096 10.442 8.399 1.00 0.00 C ATOM 598 O SER A 39 6.202 9.916 7.275 1.00 0.00 O ATOM 599 CB SER A 39 5.374 12.694 9.420 1.00 0.00 C ATOM 600 OG SER A 39 6.313 13.440 8.654 1.00 0.00 O ATOM 0 H SER A 39 3.585 11.514 10.358 1.00 0.00 H new ATOM 0 HA SER A 39 4.432 11.547 7.769 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.507 13.322 9.622 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.821 12.448 10.383 1.00 0.00 H new ATOM 0 HG SER A 39 6.565 14.250 9.145 1.00 0.00 H new ATOM 605 N MET A 40 6.984 10.195 9.365 1.00 0.00 N ATOM 606 CA MET A 40 8.161 9.324 9.145 1.00 0.00 C ATOM 607 C MET A 40 7.749 7.853 8.907 1.00 0.00 C ATOM 608 O MET A 40 8.426 7.127 8.171 1.00 0.00 O ATOM 609 CB MET A 40 9.149 9.438 10.323 1.00 0.00 C ATOM 610 CG MET A 40 9.816 10.816 10.465 1.00 0.00 C ATOM 611 SD MET A 40 10.927 11.199 9.094 1.00 0.00 S ATOM 612 CE MET A 40 11.544 12.810 9.578 1.00 0.00 C ATOM 0 H MET A 40 6.919 10.580 10.307 1.00 0.00 H new ATOM 0 HA MET A 40 8.662 9.669 8.241 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.620 9.207 11.248 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.926 8.683 10.203 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.045 11.584 10.527 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.375 10.850 11.400 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.243 13.173 8.825 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.711 13.507 9.666 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.054 12.731 10.538 1.00 0.00 H new ATOM 622 N ALA A 41 6.615 7.446 9.507 1.00 0.00 N ATOM 623 CA ALA A 41 6.078 6.083 9.361 1.00 0.00 C ATOM 624 C ALA A 41 5.607 5.793 7.929 1.00 0.00 C ATOM 625 O ALA A 41 5.742 4.660 7.470 1.00 0.00 O ATOM 626 CB ALA A 41 4.944 5.838 10.346 1.00 0.00 C ATOM 0 H ALA A 41 6.049 8.050 10.103 1.00 0.00 H new ATOM 0 HA ALA A 41 6.896 5.398 9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.564 4.824 10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.313 5.962 11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.141 6.552 10.162 1.00 0.00 H new ATOM 632 N VAL A 42 5.054 6.818 7.222 1.00 0.00 N ATOM 633 CA VAL A 42 4.631 6.645 5.819 1.00 0.00 C ATOM 634 C VAL A 42 5.865 6.501 4.919 1.00 0.00 C ATOM 635 O VAL A 42 5.823 5.744 3.953 1.00 0.00 O ATOM 636 CB VAL A 42 3.658 7.764 5.258 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.357 7.859 6.092 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.334 9.146 5.127 1.00 0.00 C ATOM 0 H VAL A 42 4.896 7.752 7.599 1.00 0.00 H new ATOM 0 HA VAL A 42 4.034 5.733 5.806 1.00 0.00 H new ATOM 0 HB VAL A 42 3.394 7.451 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.715 8.636 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.835 6.903 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.604 8.105 7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.615 9.867 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.684 9.474 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.181 9.074 4.445 1.00 0.00 H new ATOM 648 N VAL A 43 6.979 7.189 5.271 1.00 0.00 N ATOM 649 CA VAL A 43 8.255 7.029 4.512 1.00 0.00 C ATOM 650 C VAL A 43 8.763 5.579 4.633 1.00 0.00 C ATOM 651 O VAL A 43 9.148 4.943 3.642 1.00 0.00 O ATOM 652 CB VAL A 43 9.389 7.988 5.015 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.559 8.102 4.000 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.818 9.354 5.376 1.00 0.00 C ATOM 0 H VAL A 43 7.027 7.843 6.052 1.00 0.00 H new ATOM 0 HA VAL A 43 8.029 7.282 3.476 1.00 0.00 H new ATOM 0 HB VAL A 43 9.811 7.549 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.318 8.777 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.998 7.117 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.183 8.492 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.621 10.004 5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.347 9.795 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.076 9.241 6.167 1.00 0.00 H new ATOM 664 N ASN A 44 8.743 5.097 5.885 1.00 0.00 N ATOM 665 CA ASN A 44 9.191 3.749 6.279 1.00 0.00 C ATOM 666 C ASN A 44 8.450 2.642 5.513 1.00 0.00 C ATOM 667 O ASN A 44 9.080 1.720 4.976 1.00 0.00 O ATOM 668 CB ASN A 44 8.992 3.578 7.808 1.00 0.00 C ATOM 669 CG ASN A 44 10.047 4.302 8.650 1.00 0.00 C ATOM 670 OD1 ASN A 44 11.227 4.321 8.310 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.633 4.911 9.747 1.00 0.00 N ATOM 0 H ASN A 44 8.406 5.648 6.674 1.00 0.00 H new ATOM 0 HA ASN A 44 10.247 3.652 6.025 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.004 3.950 8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.012 2.516 8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.299 5.412 10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.647 4.880 10.007 1.00 0.00 H new ATOM 678 N VAL A 45 7.114 2.745 5.472 1.00 0.00 N ATOM 679 CA VAL A 45 6.265 1.725 4.838 1.00 0.00 C ATOM 680 C VAL A 45 6.371 1.762 3.310 1.00 0.00 C ATOM 681 O VAL A 45 6.291 0.708 2.685 1.00 0.00 O ATOM 682 CB VAL A 45 4.771 1.830 5.288 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.637 1.563 6.799 1.00 0.00 C ATOM 684 CG2 VAL A 45 4.152 3.187 4.918 1.00 0.00 C ATOM 0 H VAL A 45 6.596 3.527 5.872 1.00 0.00 H new ATOM 0 HA VAL A 45 6.644 0.762 5.180 1.00 0.00 H new ATOM 0 HB VAL A 45 4.215 1.063 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.590 1.641 7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.003 0.562 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.223 2.297 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.114 3.216 5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.711 3.987 5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.192 3.322 3.837 1.00 0.00 H new ATOM 694 N ILE A 46 6.577 2.966 2.713 1.00 0.00 N ATOM 695 CA ILE A 46 6.820 3.084 1.257 1.00 0.00 C ATOM 696 C ILE A 46 8.083 2.290 0.894 1.00 0.00 C ATOM 697 O ILE A 46 8.025 1.411 0.045 1.00 0.00 O ATOM 698 CB ILE A 46 6.959 4.583 0.769 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.603 5.346 0.930 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.457 4.663 -0.703 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.677 6.845 0.679 1.00 0.00 C ATOM 0 H ILE A 46 6.579 3.855 3.213 1.00 0.00 H new ATOM 0 HA ILE A 46 5.949 2.675 0.745 1.00 0.00 H new ATOM 0 HB ILE A 46 7.707 5.064 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.876 4.913 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.227 5.180 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.540 5.708 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.433 4.184 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.748 4.154 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.689 7.286 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.376 7.298 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.019 7.027 -0.340 1.00 0.00 H new ATOM 713 N THR A 47 9.180 2.578 1.624 1.00 0.00 N ATOM 714 CA THR A 47 10.488 1.929 1.436 1.00 0.00 C ATOM 715 C THR A 47 10.368 0.393 1.536 1.00 0.00 C ATOM 716 O THR A 47 10.904 -0.336 0.705 1.00 0.00 O ATOM 717 CB THR A 47 11.514 2.454 2.488 1.00 0.00 C ATOM 718 OG1 THR A 47 11.603 3.884 2.383 1.00 0.00 O ATOM 719 CG2 THR A 47 12.920 1.834 2.317 1.00 0.00 C ATOM 0 H THR A 47 9.180 3.276 2.368 1.00 0.00 H new ATOM 0 HA THR A 47 10.844 2.180 0.437 1.00 0.00 H new ATOM 0 HB THR A 47 11.154 2.158 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.832 4.293 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.590 2.237 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.856 0.751 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.306 2.076 1.327 1.00 0.00 H new ATOM 727 N ALA A 48 9.618 -0.063 2.550 1.00 0.00 N ATOM 728 CA ALA A 48 9.370 -1.490 2.806 1.00 0.00 C ATOM 729 C ALA A 48 8.602 -2.163 1.636 1.00 0.00 C ATOM 730 O ALA A 48 8.949 -3.278 1.217 1.00 0.00 O ATOM 731 CB ALA A 48 8.627 -1.626 4.135 1.00 0.00 C ATOM 0 H ALA A 48 9.162 0.554 3.222 1.00 0.00 H new ATOM 0 HA ALA A 48 10.323 -2.015 2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.436 -2.680 4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.235 -1.206 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.680 -1.090 4.079 1.00 0.00 H new ATOM 737 N LEU A 49 7.577 -1.457 1.098 1.00 0.00 N ATOM 738 CA LEU A 49 6.833 -1.900 -0.111 1.00 0.00 C ATOM 739 C LEU A 49 7.807 -2.080 -1.304 1.00 0.00 C ATOM 740 O LEU A 49 7.764 -3.109 -1.995 1.00 0.00 O ATOM 741 CB LEU A 49 5.675 -0.890 -0.469 1.00 0.00 C ATOM 742 CG LEU A 49 4.233 -1.214 0.066 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.704 -2.540 -0.510 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.155 -1.213 1.604 1.00 0.00 C ATOM 0 H LEU A 49 7.244 -0.573 1.484 1.00 0.00 H new ATOM 0 HA LEU A 49 6.371 -2.863 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.959 0.093 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.621 -0.813 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 49 3.589 -0.408 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.705 -2.733 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.662 -2.473 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.370 -3.353 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.136 -1.443 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.835 -1.965 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.438 -0.231 1.982 1.00 0.00 H new ATOM 756 N GLU A 50 8.697 -1.073 -1.497 1.00 0.00 N ATOM 757 CA GLU A 50 9.737 -1.069 -2.557 1.00 0.00 C ATOM 758 C GLU A 50 10.605 -2.338 -2.477 1.00 0.00 C ATOM 759 O GLU A 50 10.899 -2.966 -3.500 1.00 0.00 O ATOM 760 CB GLU A 50 10.666 0.174 -2.414 1.00 0.00 C ATOM 761 CG GLU A 50 9.960 1.542 -2.354 1.00 0.00 C ATOM 762 CD GLU A 50 9.464 2.059 -3.697 1.00 0.00 C ATOM 763 OE1 GLU A 50 8.315 1.757 -4.078 1.00 0.00 O ATOM 764 OE2 GLU A 50 10.223 2.795 -4.374 1.00 0.00 O ATOM 0 H GLU A 50 8.713 -0.235 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 50 9.222 -1.036 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.262 0.055 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.360 0.182 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.113 1.469 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.648 2.273 -1.930 1.00 0.00 H new ATOM 771 N GLU A 51 11.000 -2.695 -1.235 1.00 0.00 N ATOM 772 CA GLU A 51 11.888 -3.835 -0.961 1.00 0.00 C ATOM 773 C GLU A 51 11.250 -5.170 -1.388 1.00 0.00 C ATOM 774 O GLU A 51 11.821 -5.904 -2.201 1.00 0.00 O ATOM 775 CB GLU A 51 12.270 -3.901 0.546 1.00 0.00 C ATOM 776 CG GLU A 51 12.987 -2.655 1.101 1.00 0.00 C ATOM 777 CD GLU A 51 14.225 -2.247 0.284 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.232 -2.988 0.301 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.207 -1.189 -0.371 1.00 0.00 O ATOM 0 H GLU A 51 10.708 -2.196 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 51 12.791 -3.678 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.362 -4.066 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.911 -4.768 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.285 -1.821 1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.288 -2.847 2.131 1.00 0.00 H new ATOM 786 N TYR A 52 10.061 -5.459 -0.832 1.00 0.00 N ATOM 787 CA TYR A 52 9.388 -6.762 -1.032 1.00 0.00 C ATOM 788 C TYR A 52 8.950 -6.973 -2.489 1.00 0.00 C ATOM 789 O TYR A 52 9.155 -8.054 -3.046 1.00 0.00 O ATOM 790 CB TYR A 52 8.183 -6.917 -0.064 1.00 0.00 C ATOM 791 CG TYR A 52 8.592 -7.187 1.398 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.244 -6.211 2.152 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.342 -8.418 2.015 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.633 -6.446 3.450 1.00 0.00 C ATOM 795 CE2 TYR A 52 8.735 -8.658 3.320 1.00 0.00 C ATOM 796 CZ TYR A 52 9.375 -7.667 4.032 1.00 0.00 C ATOM 797 OH TYR A 52 9.767 -7.900 5.332 1.00 0.00 O ATOM 0 H TYR A 52 9.543 -4.810 -0.240 1.00 0.00 H new ATOM 0 HA TYR A 52 10.119 -7.537 -0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.580 -6.010 -0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.552 -7.735 -0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.448 -5.249 1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.833 -9.194 1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.140 -5.675 4.011 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.541 -9.617 3.778 1.00 0.00 H new ATOM 0 HH TYR A 52 9.510 -8.809 5.593 1.00 0.00 H new ATOM 807 N PHE A 53 8.349 -5.941 -3.100 1.00 0.00 N ATOM 808 CA PHE A 53 7.796 -6.038 -4.471 1.00 0.00 C ATOM 809 C PHE A 53 8.851 -5.694 -5.560 1.00 0.00 C ATOM 810 O PHE A 53 8.567 -5.882 -6.749 1.00 0.00 O ATOM 811 CB PHE A 53 6.555 -5.124 -4.615 1.00 0.00 C ATOM 812 CG PHE A 53 5.329 -5.510 -3.771 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.360 -5.456 -2.378 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.137 -5.911 -4.378 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.247 -5.787 -1.627 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.026 -6.237 -3.625 1.00 0.00 C ATOM 817 CZ PHE A 53 3.080 -6.175 -2.250 1.00 0.00 C ATOM 0 H PHE A 53 8.230 -5.024 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 53 7.500 -7.075 -4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.846 -4.107 -4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.259 -5.110 -5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.267 -5.151 -1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.083 -5.967 -5.455 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.292 -5.741 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.113 -6.541 -4.115 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.211 -6.430 -1.662 1.00 0.00 H new ATOM 827 N ASP A 54 10.038 -5.171 -5.144 1.00 0.00 N ATOM 828 CA ASP A 54 11.193 -4.878 -6.049 1.00 0.00 C ATOM 829 C ASP A 54 10.812 -3.870 -7.148 1.00 0.00 C ATOM 830 O ASP A 54 11.155 -4.034 -8.323 1.00 0.00 O ATOM 831 CB ASP A 54 11.785 -6.189 -6.660 1.00 0.00 C ATOM 832 CG ASP A 54 12.606 -7.001 -5.653 1.00 0.00 C ATOM 833 OD1 ASP A 54 12.016 -7.734 -4.840 1.00 0.00 O ATOM 834 OD2 ASP A 54 13.854 -6.896 -5.655 1.00 0.00 O ATOM 0 H ASP A 54 10.224 -4.939 -4.168 1.00 0.00 H new ATOM 0 HA ASP A 54 11.971 -4.417 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.971 -6.807 -7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.415 -5.934 -7.512 1.00 0.00 H new ATOM 839 N PHE A 55 10.118 -2.803 -6.745 1.00 0.00 N ATOM 840 CA PHE A 55 9.577 -1.795 -7.684 1.00 0.00 C ATOM 841 C PHE A 55 9.766 -0.381 -7.119 1.00 0.00 C ATOM 842 O PHE A 55 10.362 -0.212 -6.047 1.00 0.00 O ATOM 843 CB PHE A 55 8.073 -2.101 -7.983 1.00 0.00 C ATOM 844 CG PHE A 55 7.048 -1.791 -6.868 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.370 -1.863 -5.510 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.740 -1.445 -7.197 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.428 -1.603 -4.539 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.803 -1.188 -6.218 1.00 0.00 C ATOM 849 CZ PHE A 55 5.149 -1.272 -4.890 1.00 0.00 C ATOM 0 H PHE A 55 9.911 -2.606 -5.766 1.00 0.00 H new ATOM 0 HA PHE A 55 10.125 -1.847 -8.625 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.785 -1.538 -8.871 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.988 -3.158 -8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.375 -2.127 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.454 -1.377 -8.236 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.701 -1.661 -3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.794 -0.920 -6.495 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.412 -1.077 -4.125 1.00 0.00 H new ATOM 859 N SER A 56 9.262 0.625 -7.846 1.00 0.00 N ATOM 860 CA SER A 56 9.191 2.000 -7.346 1.00 0.00 C ATOM 861 C SER A 56 7.810 2.592 -7.654 1.00 0.00 C ATOM 862 O SER A 56 7.452 2.766 -8.824 1.00 0.00 O ATOM 863 CB SER A 56 10.328 2.860 -7.945 1.00 0.00 C ATOM 864 OG SER A 56 10.420 4.129 -7.311 1.00 0.00 O ATOM 0 H SER A 56 8.895 0.508 -8.790 1.00 0.00 H new ATOM 0 HA SER A 56 9.327 1.996 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.276 2.332 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.155 2.999 -9.012 1.00 0.00 H new ATOM 0 HG SER A 56 10.397 4.011 -6.338 1.00 0.00 H new ATOM 870 N VAL A 57 7.028 2.866 -6.594 1.00 0.00 N ATOM 871 CA VAL A 57 5.718 3.516 -6.715 1.00 0.00 C ATOM 872 C VAL A 57 5.934 4.983 -7.152 1.00 0.00 C ATOM 873 O VAL A 57 6.781 5.685 -6.583 1.00 0.00 O ATOM 874 CB VAL A 57 4.899 3.474 -5.365 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.439 3.944 -5.575 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.925 2.081 -4.718 1.00 0.00 C ATOM 0 H VAL A 57 7.289 2.642 -5.634 1.00 0.00 H new ATOM 0 HA VAL A 57 5.135 2.972 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 57 5.389 4.167 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.904 3.903 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.437 4.968 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.947 3.293 -6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.349 2.099 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.489 1.354 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.955 1.801 -4.499 1.00 0.00 H new ATOM 886 N ASP A 58 5.181 5.417 -8.169 1.00 0.00 N ATOM 887 CA ASP A 58 5.306 6.769 -8.758 1.00 0.00 C ATOM 888 C ASP A 58 4.850 7.841 -7.736 1.00 0.00 C ATOM 889 O ASP A 58 3.818 7.687 -7.095 1.00 0.00 O ATOM 890 CB ASP A 58 4.476 6.836 -10.068 1.00 0.00 C ATOM 891 CG ASP A 58 4.502 8.215 -10.741 1.00 0.00 C ATOM 892 OD1 ASP A 58 5.408 8.476 -11.557 1.00 0.00 O ATOM 893 OD2 ASP A 58 3.631 9.051 -10.441 1.00 0.00 O ATOM 0 H ASP A 58 4.463 4.844 -8.613 1.00 0.00 H new ATOM 0 HA ASP A 58 6.349 6.973 -9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.856 6.092 -10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.443 6.568 -9.848 1.00 0.00 H new ATOM 898 N ASP A 59 5.646 8.909 -7.598 1.00 0.00 N ATOM 899 CA ASP A 59 5.414 9.991 -6.611 1.00 0.00 C ATOM 900 C ASP A 59 4.030 10.678 -6.779 1.00 0.00 C ATOM 901 O ASP A 59 3.366 10.995 -5.783 1.00 0.00 O ATOM 902 CB ASP A 59 6.564 11.029 -6.720 1.00 0.00 C ATOM 903 CG ASP A 59 6.450 12.201 -5.726 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.816 12.030 -4.545 1.00 0.00 O ATOM 905 OD2 ASP A 59 5.986 13.295 -6.121 1.00 0.00 O ATOM 0 H ASP A 59 6.478 9.055 -8.169 1.00 0.00 H new ATOM 0 HA ASP A 59 5.406 9.543 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.514 10.521 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.584 11.428 -7.734 1.00 0.00 H new ATOM 910 N ASP A 60 3.591 10.874 -8.036 1.00 0.00 N ATOM 911 CA ASP A 60 2.317 11.579 -8.348 1.00 0.00 C ATOM 912 C ASP A 60 1.083 10.724 -7.997 1.00 0.00 C ATOM 913 O ASP A 60 -0.017 11.265 -7.829 1.00 0.00 O ATOM 914 CB ASP A 60 2.257 11.997 -9.841 1.00 0.00 C ATOM 915 CG ASP A 60 3.355 12.989 -10.236 1.00 0.00 C ATOM 916 OD1 ASP A 60 4.475 12.550 -10.564 1.00 0.00 O ATOM 917 OD2 ASP A 60 3.110 14.218 -10.211 1.00 0.00 O ATOM 0 H ASP A 60 4.098 10.555 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 60 2.298 12.475 -7.728 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.340 11.107 -10.464 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.284 12.441 -10.048 1.00 0.00 H new ATOM 922 N GLU A 61 1.269 9.396 -7.880 1.00 0.00 N ATOM 923 CA GLU A 61 0.168 8.468 -7.525 1.00 0.00 C ATOM 924 C GLU A 61 0.210 8.125 -6.026 1.00 0.00 C ATOM 925 O GLU A 61 -0.702 7.471 -5.526 1.00 0.00 O ATOM 926 CB GLU A 61 0.201 7.184 -8.389 1.00 0.00 C ATOM 927 CG GLU A 61 1.308 6.188 -8.015 1.00 0.00 C ATOM 928 CD GLU A 61 1.444 4.986 -8.948 1.00 0.00 C ATOM 929 OE1 GLU A 61 0.519 4.690 -9.732 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.491 4.329 -8.898 1.00 0.00 O ATOM 0 H GLU A 61 2.169 8.938 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.773 8.976 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.763 6.682 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.325 7.468 -9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.260 6.719 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.121 5.824 -7.005 1.00 0.00 H new ATOM 937 N ILE A 62 1.300 8.541 -5.330 1.00 0.00 N ATOM 938 CA ILE A 62 1.376 8.480 -3.857 1.00 0.00 C ATOM 939 C ILE A 62 0.768 9.771 -3.270 1.00 0.00 C ATOM 940 O ILE A 62 1.269 10.871 -3.532 1.00 0.00 O ATOM 941 CB ILE A 62 2.859 8.322 -3.317 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.562 7.061 -3.901 1.00 0.00 C ATOM 943 CG2 ILE A 62 2.878 8.262 -1.773 1.00 0.00 C ATOM 944 CD1 ILE A 62 4.981 6.818 -3.391 1.00 0.00 C ATOM 0 H ILE A 62 2.137 8.922 -5.772 1.00 0.00 H new ATOM 0 HA ILE A 62 0.820 7.596 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 62 3.412 9.200 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.955 6.186 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.593 7.151 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.905 8.154 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.453 9.180 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.289 7.410 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.385 5.918 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.610 7.671 -3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.962 6.691 -2.309 1.00 0.00 H new ATOM 956 N SER A 63 -0.314 9.617 -2.497 1.00 0.00 N ATOM 957 CA SER A 63 -0.975 10.711 -1.768 1.00 0.00 C ATOM 958 C SER A 63 -1.741 10.108 -0.571 1.00 0.00 C ATOM 959 O SER A 63 -1.598 8.910 -0.285 1.00 0.00 O ATOM 960 CB SER A 63 -1.919 11.488 -2.727 1.00 0.00 C ATOM 961 OG SER A 63 -2.408 12.672 -2.132 1.00 0.00 O ATOM 0 H SER A 63 -0.764 8.713 -2.357 1.00 0.00 H new ATOM 0 HA SER A 63 -0.241 11.422 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.383 11.736 -3.643 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.756 10.850 -3.010 1.00 0.00 H new ATOM 0 HG SER A 63 -3.329 12.529 -1.829 1.00 0.00 H new ATOM 967 N ALA A 64 -2.544 10.928 0.132 1.00 0.00 N ATOM 968 CA ALA A 64 -3.387 10.455 1.251 1.00 0.00 C ATOM 969 C ALA A 64 -4.380 9.380 0.767 1.00 0.00 C ATOM 970 O ALA A 64 -4.600 8.377 1.449 1.00 0.00 O ATOM 971 CB ALA A 64 -4.123 11.630 1.916 1.00 0.00 C ATOM 0 H ALA A 64 -2.628 11.927 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.738 10.001 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.737 11.258 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.395 12.343 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.760 12.123 1.181 1.00 0.00 H new ATOM 977 N GLN A 65 -4.884 9.579 -0.471 1.00 0.00 N ATOM 978 CA GLN A 65 -5.862 8.676 -1.111 1.00 0.00 C ATOM 979 C GLN A 65 -5.246 7.303 -1.459 1.00 0.00 C ATOM 980 O GLN A 65 -5.968 6.367 -1.811 1.00 0.00 O ATOM 981 CB GLN A 65 -6.455 9.326 -2.388 1.00 0.00 C ATOM 982 CG GLN A 65 -7.057 10.732 -2.196 1.00 0.00 C ATOM 983 CD GLN A 65 -8.023 10.839 -1.013 1.00 0.00 C ATOM 984 OE1 GLN A 65 -9.220 10.581 -1.141 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.514 11.252 0.142 1.00 0.00 N ATOM 0 H GLN A 65 -4.622 10.373 -1.055 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.660 8.509 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.671 9.385 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.229 8.669 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.246 11.447 -2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.581 11.019 -3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.518 11.458 0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.119 11.363 0.955 1.00 0.00 H new ATOM 994 N THR A 66 -3.911 7.202 -1.384 1.00 0.00 N ATOM 995 CA THR A 66 -3.191 5.942 -1.569 1.00 0.00 C ATOM 996 C THR A 66 -3.226 5.133 -0.266 1.00 0.00 C ATOM 997 O THR A 66 -3.519 3.940 -0.284 1.00 0.00 O ATOM 998 CB THR A 66 -1.714 6.212 -2.004 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.729 7.119 -3.105 1.00 0.00 O ATOM 1000 CG2 THR A 66 -0.952 4.935 -2.414 1.00 0.00 C ATOM 0 H THR A 66 -3.302 7.997 -1.192 1.00 0.00 H new ATOM 0 HA THR A 66 -3.677 5.369 -2.358 1.00 0.00 H new ATOM 0 HB THR A 66 -1.190 6.626 -1.142 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.155 6.774 -3.821 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.066 5.196 -2.704 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.923 4.242 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.459 4.463 -3.255 1.00 0.00 H new ATOM 1008 N PHE A 67 -2.965 5.817 0.873 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.836 5.167 2.203 1.00 0.00 C ATOM 1010 C PHE A 67 -4.123 5.244 3.027 1.00 0.00 C ATOM 1011 O PHE A 67 -4.118 4.833 4.194 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.645 5.778 2.993 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.276 5.340 2.464 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.333 5.997 1.392 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.387 4.248 3.028 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.560 5.579 0.909 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.608 3.831 2.539 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.195 4.495 1.481 1.00 0.00 C ATOM 0 H PHE A 67 -2.838 6.829 0.898 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.642 4.110 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.711 6.865 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.729 5.493 4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.160 6.842 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.062 3.723 3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.021 6.101 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.106 2.983 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.151 4.167 1.101 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.213 5.753 2.417 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.521 5.890 3.093 1.00 0.00 C ATOM 1030 C GLU A 68 -7.024 4.535 3.632 1.00 0.00 C ATOM 1031 O GLU A 68 -7.467 4.447 4.770 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.579 6.532 2.148 1.00 0.00 C ATOM 1033 CG GLU A 68 -7.806 5.788 0.823 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.029 6.287 0.041 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.000 7.423 -0.474 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.039 5.553 -0.040 1.00 0.00 O ATOM 0 H GLU A 68 -5.213 6.078 1.450 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.377 6.555 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.529 6.593 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.272 7.554 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.918 5.894 0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.926 4.724 1.029 1.00 0.00 H new ATOM 1043 N THR A 69 -6.921 3.484 2.806 1.00 0.00 N ATOM 1044 CA THR A 69 -7.353 2.128 3.164 1.00 0.00 C ATOM 1045 C THR A 69 -6.440 1.092 2.496 1.00 0.00 C ATOM 1046 O THR A 69 -5.749 1.403 1.503 1.00 0.00 O ATOM 1047 CB THR A 69 -8.853 1.899 2.757 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.300 0.587 3.132 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.083 2.091 1.252 1.00 0.00 C ATOM 0 H THR A 69 -6.533 3.553 1.865 1.00 0.00 H new ATOM 0 HA THR A 69 -7.278 2.009 4.245 1.00 0.00 H new ATOM 0 HB THR A 69 -9.430 2.651 3.295 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.843 0.308 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.135 1.922 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.808 3.107 0.969 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.470 1.381 0.697 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.451 -0.139 3.049 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.624 -1.260 2.569 1.00 0.00 C ATOM 1059 C LEU A 70 -5.931 -1.575 1.096 1.00 0.00 C ATOM 1060 O LEU A 70 -5.035 -1.952 0.330 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.868 -2.529 3.426 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.857 -3.694 3.172 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.503 -3.371 3.816 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.395 -5.060 3.642 1.00 0.00 C ATOM 0 H LEU A 70 -7.039 -0.382 3.846 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.580 -0.961 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.826 -2.253 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.877 -2.893 3.232 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.720 -3.779 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.808 -4.190 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.104 -2.453 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.633 -3.240 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.652 -5.832 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.599 -5.022 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.315 -5.293 3.105 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.224 -1.418 0.745 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.717 -1.638 -0.604 1.00 0.00 C ATOM 1078 C GLY A 71 -7.031 -0.751 -1.610 1.00 0.00 C ATOM 1079 O GLY A 71 -6.644 -1.216 -2.674 1.00 0.00 O ATOM 0 H GLY A 71 -7.949 -1.133 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.566 -2.682 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.791 -1.454 -0.632 1.00 0.00 H new ATOM 1083 N SER A 72 -6.831 0.528 -1.243 1.00 0.00 N ATOM 1084 CA SER A 72 -6.180 1.513 -2.115 1.00 0.00 C ATOM 1085 C SER A 72 -4.729 1.103 -2.422 1.00 0.00 C ATOM 1086 O SER A 72 -4.369 1.043 -3.596 1.00 0.00 O ATOM 1087 CB SER A 72 -6.262 2.917 -1.496 1.00 0.00 C ATOM 1088 OG SER A 72 -7.617 3.320 -1.349 1.00 0.00 O ATOM 0 H SER A 72 -7.116 0.903 -0.338 1.00 0.00 H new ATOM 0 HA SER A 72 -6.712 1.541 -3.066 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.768 2.921 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.731 3.630 -2.127 1.00 0.00 H new ATOM 0 HG SER A 72 -7.678 4.295 -1.423 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.924 0.751 -1.376 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.518 0.298 -1.582 1.00 0.00 C ATOM 1096 C LEU A 73 -2.486 -0.922 -2.504 1.00 0.00 C ATOM 1097 O LEU A 73 -1.683 -0.984 -3.436 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.792 -0.092 -0.257 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.374 1.040 0.722 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.580 2.149 0.006 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.577 1.589 1.490 1.00 0.00 C ATOM 0 H LEU A 73 -4.219 0.772 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.996 1.148 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.442 -0.777 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.893 -0.648 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.701 0.604 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.306 2.922 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.323 1.725 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.195 2.586 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.248 2.379 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.304 1.993 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.037 0.787 2.067 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.385 -1.878 -2.207 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.489 -3.140 -2.931 1.00 0.00 C ATOM 1115 C ALA A 74 -3.832 -2.909 -4.405 1.00 0.00 C ATOM 1116 O ALA A 74 -3.265 -3.563 -5.260 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.509 -4.054 -2.255 1.00 0.00 C ATOM 0 H ALA A 74 -4.062 -1.787 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.518 -3.634 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.577 -4.993 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.195 -4.256 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.484 -3.567 -2.246 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.722 -1.934 -4.678 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.155 -1.577 -6.046 1.00 0.00 C ATOM 1125 C LEU A 75 -3.981 -0.994 -6.851 1.00 0.00 C ATOM 1126 O LEU A 75 -3.722 -1.425 -7.987 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.356 -0.566 -6.025 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.778 -1.150 -6.314 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.797 -1.943 -7.637 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.303 -1.994 -5.141 1.00 0.00 C ATOM 0 H LEU A 75 -5.163 -1.369 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.496 -2.491 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.379 -0.087 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.155 0.215 -6.758 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.458 -0.305 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.798 -2.337 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.518 -1.285 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.088 -2.769 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.293 -2.380 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.624 -2.827 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.365 -1.375 -4.246 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.278 -0.009 -6.247 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.113 0.640 -6.878 1.00 0.00 C ATOM 1144 C PHE A 76 -1.064 -0.411 -7.269 1.00 0.00 C ATOM 1145 O PHE A 76 -0.651 -0.460 -8.421 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.498 1.740 -5.962 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.267 3.072 -5.987 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -2.093 3.974 -7.040 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.170 3.415 -4.984 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -2.790 5.171 -7.076 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.864 4.609 -5.020 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.677 5.486 -6.068 1.00 0.00 C ATOM 0 H PHE A 76 -3.501 0.353 -5.320 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.456 1.138 -7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.465 1.370 -4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.468 1.920 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.405 3.735 -7.837 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.331 2.734 -4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.638 5.859 -7.895 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.554 4.856 -4.227 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.224 6.417 -6.099 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.711 -1.300 -6.322 1.00 0.00 N ATOM 1163 CA VAL A 77 0.300 -2.353 -6.557 1.00 0.00 C ATOM 1164 C VAL A 77 -0.213 -3.458 -7.521 1.00 0.00 C ATOM 1165 O VAL A 77 0.602 -4.113 -8.172 1.00 0.00 O ATOM 1166 CB VAL A 77 0.873 -2.961 -5.221 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.503 -1.860 -4.332 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.193 -3.733 -4.443 1.00 0.00 C ATOM 0 H VAL A 77 -1.111 -1.311 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 77 1.135 -1.859 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 77 1.654 -3.668 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.890 -2.308 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.317 -1.378 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.745 -1.118 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.244 -4.136 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.014 -3.063 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.570 -4.552 -5.056 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.561 -3.674 -7.611 1.00 0.00 N ATOM 1179 CA GLU A 78 -2.152 -4.538 -8.678 1.00 0.00 C ATOM 1180 C GLU A 78 -1.711 -4.018 -10.050 1.00 0.00 C ATOM 1181 O GLU A 78 -1.223 -4.775 -10.898 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.721 -4.580 -8.663 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.391 -5.315 -7.490 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.934 -6.768 -7.309 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.926 -7.537 -8.298 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.618 -7.160 -6.173 1.00 0.00 O ATOM 0 H GLU A 78 -2.245 -3.270 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.793 -5.549 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.087 -3.553 -8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.056 -5.046 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.189 -4.766 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.471 -5.302 -7.638 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.872 -2.693 -10.227 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.544 -2.002 -11.480 1.00 0.00 C ATOM 1195 C HIS A 79 -0.026 -2.022 -11.745 1.00 0.00 C ATOM 1196 O HIS A 79 0.380 -2.264 -12.868 1.00 0.00 O ATOM 1197 CB HIS A 79 -2.069 -0.541 -11.446 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.572 -0.395 -11.498 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -4.195 0.610 -12.199 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.570 -1.102 -10.907 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.497 0.517 -12.043 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.750 -0.513 -11.264 1.00 0.00 N ATOM 0 H HIS A 79 -2.234 -2.074 -9.502 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.035 -2.532 -12.296 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.705 -0.062 -10.537 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.638 0.002 -12.287 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.453 -1.968 -10.273 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.234 1.174 -12.480 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.678 -0.822 -10.973 1.00 0.00 H new ATOM 1211 N LYS A 80 0.788 -1.808 -10.685 1.00 0.00 N ATOM 1212 CA LYS A 80 2.261 -1.657 -10.796 1.00 0.00 C ATOM 1213 C LYS A 80 2.934 -2.923 -11.326 1.00 0.00 C ATOM 1214 O LYS A 80 3.669 -2.882 -12.310 1.00 0.00 O ATOM 1215 CB LYS A 80 2.901 -1.290 -9.428 1.00 0.00 C ATOM 1216 CG LYS A 80 2.415 0.027 -8.794 1.00 0.00 C ATOM 1217 CD LYS A 80 2.550 1.239 -9.728 1.00 0.00 C ATOM 1218 CE LYS A 80 4.012 1.620 -10.027 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.103 2.874 -10.823 1.00 0.00 N ATOM 0 H LYS A 80 0.444 -1.735 -9.728 1.00 0.00 H new ATOM 0 HA LYS A 80 2.424 -0.847 -11.506 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.707 -2.102 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.982 -1.232 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.371 -0.083 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.983 0.215 -7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.039 1.024 -10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.044 2.093 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.555 1.744 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.496 0.808 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.100 3.153 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.696 2.716 -11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.576 3.630 -10.341 1.00 0.00 H new ATOM 1233 N LEU A 81 2.660 -4.046 -10.655 1.00 0.00 N ATOM 1234 CA LEU A 81 3.295 -5.338 -10.976 1.00 0.00 C ATOM 1235 C LEU A 81 2.729 -5.933 -12.289 1.00 0.00 C ATOM 1236 O LEU A 81 3.315 -6.865 -12.848 1.00 0.00 O ATOM 1237 CB LEU A 81 3.173 -6.340 -9.782 1.00 0.00 C ATOM 1238 CG LEU A 81 4.067 -6.042 -8.514 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.565 -5.921 -8.878 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.592 -4.792 -7.741 1.00 0.00 C ATOM 0 H LEU A 81 1.998 -4.091 -9.880 1.00 0.00 H new ATOM 0 HA LEU A 81 4.358 -5.157 -11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.130 -6.367 -9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.421 -7.337 -10.147 1.00 0.00 H new ATOM 0 HG LEU A 81 3.950 -6.901 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.143 -5.716 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.908 -6.855 -9.324 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.702 -5.107 -9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.239 -4.630 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.635 -3.921 -8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.567 -4.941 -7.403 1.00 0.00 H new ATOM 1252 N SER A 82 1.599 -5.379 -12.777 1.00 0.00 N ATOM 1253 CA SER A 82 1.008 -5.749 -14.080 1.00 0.00 C ATOM 1254 C SER A 82 1.419 -4.752 -15.192 1.00 0.00 C ATOM 1255 O SER A 82 1.382 -5.097 -16.381 1.00 0.00 O ATOM 1256 CB SER A 82 -0.524 -5.798 -13.950 1.00 0.00 C ATOM 1257 OG SER A 82 -0.912 -6.761 -12.984 1.00 0.00 O ATOM 0 H SER A 82 1.071 -4.663 -12.279 1.00 0.00 H new ATOM 0 HA SER A 82 1.385 -6.732 -14.363 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.902 -4.816 -13.665 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.969 -6.043 -14.915 1.00 0.00 H new ATOM 0 HG SER A 82 -1.085 -6.315 -12.129 1.00 0.00 H new