USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 660 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 65 MET CE :methyl 171:sc= -0.433 (180deg=-0.497) USER MOD Set 1.2: A 69 SER OG : rot -110:sc=-0.00817 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.079 (180deg=-0.554) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.15 (180deg=0.0752) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0217 F(o=-1.1,f=-0.022) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -164:sc= 0 (180deg=-0.09) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot -28:sc= 1.26 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 1.18 (180deg=1.03) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 68:sc= -0.745 USER MOD Single : A 32 ASN : amide:sc= -0.519! K(o=-0.52!,f=-1.9) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00482 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 46 TYR OH : rot 63:sc= 1.25 USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= 0.397 (180deg=-0.11) USER MOD Single : A 49 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 51 ASN : amide:sc= 0.796 K(o=0.8,f=-6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00512 USER MOD Single : A 67 ASN : amide:sc= 0.682 K(o=0.68,f=-1.3) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -155:sc= 0.264 USER MOD Single : A 82 SER OG : rot 31:sc= 0.00307 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 77:sc= 0.389 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.147 4.945 2.264 1.00 0.00 N ATOM 2 CA MET A 1 13.010 5.888 2.355 1.00 0.00 C ATOM 3 C MET A 1 11.996 5.575 1.264 1.00 0.00 C ATOM 4 O MET A 1 12.172 5.960 0.107 1.00 0.00 O ATOM 5 CB MET A 1 13.492 7.339 2.225 1.00 0.00 C ATOM 6 CG MET A 1 14.399 7.784 3.363 1.00 0.00 C ATOM 7 SD MET A 1 14.953 9.494 3.196 1.00 0.00 S ATOM 8 CE MET A 1 15.919 9.392 1.691 1.00 0.00 C ATOM 0 H1 MET A 1 14.684 4.962 3.154 1.00 0.00 H new ATOM 0 H2 MET A 1 13.788 3.984 2.095 1.00 0.00 H new ATOM 0 H3 MET A 1 14.769 5.226 1.479 1.00 0.00 H new ATOM 0 HA MET A 1 12.539 5.772 3.331 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.025 7.453 1.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.625 7.999 2.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.869 7.670 4.309 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.269 7.128 3.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.591 10.248 1.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.503 8.472 1.695 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.251 9.394 0.829 1.00 0.00 H new ATOM 20 N VAL A 2 10.938 4.874 1.637 1.00 0.00 N ATOM 21 CA VAL A 2 9.955 4.415 0.670 1.00 0.00 C ATOM 22 C VAL A 2 9.031 5.552 0.252 1.00 0.00 C ATOM 23 O VAL A 2 7.946 5.724 0.803 1.00 0.00 O ATOM 24 CB VAL A 2 9.120 3.237 1.221 1.00 0.00 C ATOM 25 CG1 VAL A 2 8.207 2.669 0.145 1.00 0.00 C ATOM 26 CG2 VAL A 2 10.028 2.154 1.782 1.00 0.00 C ATOM 0 H VAL A 2 10.738 4.611 2.602 1.00 0.00 H new ATOM 0 HA VAL A 2 10.505 4.065 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 2 8.494 3.614 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.630 1.841 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.528 3.447 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.808 2.311 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.422 1.333 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.683 1.784 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.631 2.568 2.590 1.00 0.00 H new ATOM 36 N LYS A 3 9.499 6.360 -0.684 1.00 0.00 N ATOM 37 CA LYS A 3 8.679 7.405 -1.271 1.00 0.00 C ATOM 38 C LYS A 3 8.199 6.963 -2.645 1.00 0.00 C ATOM 39 O LYS A 3 7.028 7.128 -2.995 1.00 0.00 O ATOM 40 CB LYS A 3 9.468 8.714 -1.384 1.00 0.00 C ATOM 41 CG LYS A 3 8.663 9.858 -1.983 1.00 0.00 C ATOM 42 CD LYS A 3 9.495 11.123 -2.119 1.00 0.00 C ATOM 43 CE LYS A 3 10.677 10.919 -3.057 1.00 0.00 C ATOM 44 NZ LYS A 3 11.497 12.150 -3.202 1.00 0.00 N ATOM 0 H LYS A 3 10.448 6.311 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 3 7.818 7.581 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.817 9.005 -0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.353 8.544 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.286 9.564 -2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.795 10.060 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.868 11.933 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.857 11.428 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.303 10.110 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.312 10.610 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.290 11.965 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.908 12.916 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.868 12.432 -2.272 1.00 0.00 H new ATOM 58 N THR A 4 9.115 6.396 -3.417 1.00 0.00 N ATOM 59 CA THR A 4 8.787 5.886 -4.735 1.00 0.00 C ATOM 60 C THR A 4 8.110 4.524 -4.619 1.00 0.00 C ATOM 61 O THR A 4 8.770 3.484 -4.584 1.00 0.00 O ATOM 62 CB THR A 4 10.047 5.772 -5.611 1.00 0.00 C ATOM 63 OG1 THR A 4 10.804 6.988 -5.524 1.00 0.00 O ATOM 64 CG2 THR A 4 9.681 5.501 -7.063 1.00 0.00 C ATOM 0 H THR A 4 10.092 6.279 -3.150 1.00 0.00 H new ATOM 0 HA THR A 4 8.101 6.588 -5.209 1.00 0.00 H new ATOM 0 HB THR A 4 10.645 4.937 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.607 6.914 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.590 5.425 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.124 4.566 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.066 6.317 -7.442 1.00 0.00 H new ATOM 72 N LEU A 5 6.794 4.548 -4.515 1.00 0.00 N ATOM 73 CA LEU A 5 6.016 3.333 -4.385 1.00 0.00 C ATOM 74 C LEU A 5 5.020 3.241 -5.529 1.00 0.00 C ATOM 75 O LEU A 5 4.301 4.199 -5.808 1.00 0.00 O ATOM 76 CB LEU A 5 5.276 3.319 -3.044 1.00 0.00 C ATOM 77 CG LEU A 5 4.600 1.997 -2.686 1.00 0.00 C ATOM 78 CD1 LEU A 5 5.644 0.915 -2.461 1.00 0.00 C ATOM 79 CD2 LEU A 5 3.729 2.168 -1.451 1.00 0.00 C ATOM 0 H LEU A 5 6.239 5.404 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 5 6.687 2.475 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.984 3.572 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.519 4.103 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 5 3.963 1.692 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.148 -0.022 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.230 0.780 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.303 1.210 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.253 1.218 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.346 2.491 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.963 2.918 -1.647 1.00 0.00 H new ATOM 91 N ARG A 6 4.992 2.106 -6.207 1.00 0.00 N ATOM 92 CA ARG A 6 4.060 1.917 -7.305 1.00 0.00 C ATOM 93 C ARG A 6 3.223 0.666 -7.103 1.00 0.00 C ATOM 94 O ARG A 6 3.747 -0.408 -6.812 1.00 0.00 O ATOM 95 CB ARG A 6 4.794 1.843 -8.645 1.00 0.00 C ATOM 96 CG ARG A 6 5.426 3.159 -9.067 1.00 0.00 C ATOM 97 CD ARG A 6 6.077 3.059 -10.435 1.00 0.00 C ATOM 98 NE ARG A 6 7.214 2.142 -10.443 1.00 0.00 N ATOM 99 CZ ARG A 6 8.245 2.249 -11.276 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.275 3.226 -12.176 1.00 0.00 N ATOM 101 NH2 ARG A 6 9.236 1.373 -11.213 1.00 0.00 N ATOM 0 H ARG A 6 5.598 1.308 -6.019 1.00 0.00 H new ATOM 0 HA ARG A 6 3.396 2.781 -7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.570 1.080 -8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.093 1.522 -9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.665 3.939 -9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.172 3.457 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.338 2.724 -11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.409 4.048 -10.750 1.00 0.00 H new ATOM 0 HE ARG A 6 7.217 1.375 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.507 3.895 -12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.066 3.307 -12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.207 0.619 -10.527 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.028 1.452 -11.851 1.00 0.00 H new ATOM 115 N LEU A 7 1.918 0.824 -7.256 1.00 0.00 N ATOM 116 CA LEU A 7 0.992 -0.289 -7.169 1.00 0.00 C ATOM 117 C LEU A 7 0.498 -0.653 -8.560 1.00 0.00 C ATOM 118 O LEU A 7 -0.505 -0.120 -9.032 1.00 0.00 O ATOM 119 CB LEU A 7 -0.194 0.055 -6.262 1.00 0.00 C ATOM 120 CG LEU A 7 0.170 0.422 -4.823 1.00 0.00 C ATOM 121 CD1 LEU A 7 -1.080 0.752 -4.025 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.936 -0.712 -4.157 1.00 0.00 C ATOM 0 H LEU A 7 1.475 1.723 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 7 1.514 -1.142 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.740 0.888 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.874 -0.797 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 7 0.810 1.304 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.802 1.011 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.594 1.596 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.743 -0.113 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.186 -0.431 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.319 -1.611 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.853 -0.908 -4.713 1.00 0.00 H new ATOM 134 N ASN A 8 1.241 -1.533 -9.219 1.00 0.00 N ATOM 135 CA ASN A 8 0.923 -1.978 -10.577 1.00 0.00 C ATOM 136 C ASN A 8 0.798 -0.788 -11.534 1.00 0.00 C ATOM 137 O ASN A 8 -0.303 -0.410 -11.931 1.00 0.00 O ATOM 138 CB ASN A 8 -0.362 -2.815 -10.596 1.00 0.00 C ATOM 139 CG ASN A 8 -0.602 -3.509 -11.930 1.00 0.00 C ATOM 140 OD1 ASN A 8 0.469 -3.894 -12.620 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 -1.745 -3.712 -12.334 1.00 0.00 N flip ATOM 0 H ASN A 8 2.082 -1.960 -8.830 1.00 0.00 H new ATOM 0 HA ASN A 8 1.747 -2.605 -10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.312 -3.565 -9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.212 -2.171 -10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.544 -3.404 -11.780 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.894 -4.189 -13.223 1.00 0.00 H new ATOM 148 N ASN A 9 1.947 -0.191 -11.868 1.00 0.00 N ATOM 149 CA ASN A 9 2.037 0.951 -12.798 1.00 0.00 C ATOM 150 C ASN A 9 1.515 2.253 -12.185 1.00 0.00 C ATOM 151 O ASN A 9 1.797 3.337 -12.694 1.00 0.00 O ATOM 152 CB ASN A 9 1.297 0.679 -14.116 1.00 0.00 C ATOM 153 CG ASN A 9 1.873 -0.490 -14.893 1.00 0.00 C ATOM 154 OD1 ASN A 9 2.825 -0.332 -15.659 1.00 0.00 O ATOM 155 ND2 ASN A 9 1.286 -1.667 -14.720 1.00 0.00 N ATOM 0 H ASN A 9 2.851 -0.486 -11.500 1.00 0.00 H new ATOM 0 HA ASN A 9 3.100 1.072 -13.006 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.246 0.483 -13.902 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.334 1.574 -14.737 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.621 -2.484 -15.231 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.500 -1.755 -14.076 1.00 0.00 H new ATOM 162 N VAL A 10 0.767 2.151 -11.098 1.00 0.00 N ATOM 163 CA VAL A 10 0.184 3.323 -10.465 1.00 0.00 C ATOM 164 C VAL A 10 1.083 3.828 -9.346 1.00 0.00 C ATOM 165 O VAL A 10 1.230 3.175 -8.314 1.00 0.00 O ATOM 166 CB VAL A 10 -1.221 3.025 -9.896 1.00 0.00 C ATOM 167 CG1 VAL A 10 -1.854 4.289 -9.328 1.00 0.00 C ATOM 168 CG2 VAL A 10 -2.105 2.415 -10.972 1.00 0.00 C ATOM 0 H VAL A 10 0.549 1.268 -10.636 1.00 0.00 H new ATOM 0 HA VAL A 10 0.089 4.090 -11.234 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.120 2.306 -9.083 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.843 4.055 -8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.227 4.682 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.946 5.036 -10.117 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.092 2.210 -10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.198 3.112 -11.805 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.659 1.485 -11.325 1.00 0.00 H new ATOM 178 N THR A 11 1.701 4.977 -9.567 1.00 0.00 N ATOM 179 CA THR A 11 2.554 5.576 -8.559 1.00 0.00 C ATOM 180 C THR A 11 1.703 6.100 -7.400 1.00 0.00 C ATOM 181 O THR A 11 0.616 6.646 -7.613 1.00 0.00 O ATOM 182 CB THR A 11 3.425 6.703 -9.162 1.00 0.00 C ATOM 183 OG1 THR A 11 4.315 7.231 -8.173 1.00 0.00 O ATOM 184 CG2 THR A 11 2.563 7.818 -9.734 1.00 0.00 C ATOM 0 H THR A 11 1.627 5.510 -10.433 1.00 0.00 H new ATOM 0 HA THR A 11 3.230 4.811 -8.178 1.00 0.00 H new ATOM 0 HB THR A 11 4.011 6.273 -9.974 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.861 7.942 -8.570 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.203 8.596 -10.151 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.922 7.416 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.945 8.242 -8.943 1.00 0.00 H new ATOM 192 N LEU A 12 2.186 5.920 -6.180 1.00 0.00 N ATOM 193 CA LEU A 12 1.382 6.191 -5.002 1.00 0.00 C ATOM 194 C LEU A 12 2.114 7.067 -3.991 1.00 0.00 C ATOM 195 O LEU A 12 3.331 6.976 -3.827 1.00 0.00 O ATOM 196 CB LEU A 12 1.000 4.872 -4.334 1.00 0.00 C ATOM 197 CG LEU A 12 0.092 5.003 -3.114 1.00 0.00 C ATOM 198 CD1 LEU A 12 -1.338 5.304 -3.539 1.00 0.00 C ATOM 199 CD2 LEU A 12 0.158 3.745 -2.267 1.00 0.00 C ATOM 0 H LEU A 12 3.130 5.588 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 12 0.493 6.731 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.504 4.240 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.913 4.357 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 12 0.443 5.838 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.969 5.394 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.362 6.239 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.708 4.495 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.495 3.855 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.166 2.890 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.183 3.586 -1.931 1.00 0.00 H new ATOM 211 N GLU A 13 1.349 7.916 -3.323 1.00 0.00 N ATOM 212 CA GLU A 13 1.826 8.650 -2.165 1.00 0.00 C ATOM 213 C GLU A 13 1.034 8.204 -0.939 1.00 0.00 C ATOM 214 O GLU A 13 0.011 7.535 -1.071 1.00 0.00 O ATOM 215 CB GLU A 13 1.688 10.166 -2.354 1.00 0.00 C ATOM 216 CG GLU A 13 2.808 10.810 -3.161 1.00 0.00 C ATOM 217 CD GLU A 13 2.660 10.637 -4.660 1.00 0.00 C ATOM 218 OE1 GLU A 13 1.969 11.467 -5.289 1.00 0.00 O ATOM 219 OE2 GLU A 13 3.259 9.701 -5.222 1.00 0.00 O ATOM 0 H GLU A 13 0.379 8.115 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 13 2.886 8.435 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.738 10.372 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.647 10.639 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.844 11.874 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.761 10.383 -2.848 1.00 0.00 H new ATOM 226 N MET A 14 1.491 8.573 0.245 1.00 0.00 N ATOM 227 CA MET A 14 0.833 8.158 1.474 1.00 0.00 C ATOM 228 C MET A 14 1.154 9.124 2.598 1.00 0.00 C ATOM 229 O MET A 14 1.873 10.105 2.404 1.00 0.00 O ATOM 230 CB MET A 14 1.237 6.727 1.868 1.00 0.00 C ATOM 231 CG MET A 14 2.711 6.420 1.669 1.00 0.00 C ATOM 232 SD MET A 14 3.783 7.362 2.769 1.00 0.00 S ATOM 233 CE MET A 14 5.381 6.889 2.125 1.00 0.00 C ATOM 0 H MET A 14 2.315 9.159 0.383 1.00 0.00 H new ATOM 0 HA MET A 14 -0.243 8.167 1.297 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.982 6.564 2.915 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.648 6.021 1.283 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.879 5.355 1.831 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.984 6.632 0.635 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.155 7.144 2.849 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.396 5.815 1.942 1.00 0.00 H new ATOM 0 HE3 MET A 14 5.568 7.419 1.191 1.00 0.00 H new ATOM 243 N ALA A 15 0.621 8.837 3.766 1.00 0.00 N ATOM 244 CA ALA A 15 0.841 9.672 4.928 1.00 0.00 C ATOM 245 C ALA A 15 1.530 8.878 6.020 1.00 0.00 C ATOM 246 O ALA A 15 2.470 9.353 6.652 1.00 0.00 O ATOM 247 CB ALA A 15 -0.477 10.232 5.422 1.00 0.00 C ATOM 0 H ALA A 15 0.028 8.025 3.937 1.00 0.00 H new ATOM 0 HA ALA A 15 1.487 10.505 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.301 10.859 6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.937 10.829 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.143 9.412 5.691 1.00 0.00 H new ATOM 253 N ALA A 16 1.053 7.661 6.232 1.00 0.00 N ATOM 254 CA ALA A 16 1.653 6.767 7.202 1.00 0.00 C ATOM 255 C ALA A 16 1.882 5.389 6.590 1.00 0.00 C ATOM 256 O ALA A 16 1.048 4.493 6.701 1.00 0.00 O ATOM 257 CB ALA A 16 0.793 6.668 8.455 1.00 0.00 C ATOM 0 H ALA A 16 0.248 7.271 5.741 1.00 0.00 H new ATOM 0 HA ALA A 16 2.620 7.178 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.265 5.991 9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.691 7.655 8.905 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.193 6.286 8.190 1.00 0.00 H new ATOM 263 N TYR A 17 2.980 5.262 5.862 1.00 0.00 N ATOM 264 CA TYR A 17 3.434 3.965 5.377 1.00 0.00 C ATOM 265 C TYR A 17 4.070 3.170 6.518 1.00 0.00 C ATOM 266 O TYR A 17 5.106 3.564 7.054 1.00 0.00 O ATOM 267 CB TYR A 17 4.445 4.160 4.239 1.00 0.00 C ATOM 268 CG TYR A 17 5.010 2.878 3.670 1.00 0.00 C ATOM 269 CD1 TYR A 17 4.358 2.203 2.647 1.00 0.00 C ATOM 270 CD2 TYR A 17 6.206 2.350 4.145 1.00 0.00 C ATOM 271 CE1 TYR A 17 4.877 1.038 2.118 1.00 0.00 C ATOM 272 CE2 TYR A 17 6.729 1.185 3.620 1.00 0.00 C ATOM 273 CZ TYR A 17 6.061 0.534 2.607 1.00 0.00 C ATOM 274 OH TYR A 17 6.579 -0.626 2.082 1.00 0.00 O ATOM 0 H TYR A 17 3.577 6.044 5.592 1.00 0.00 H new ATOM 0 HA TYR A 17 2.578 3.407 4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.964 4.717 3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.269 4.774 4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.430 2.595 2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.734 2.860 4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.356 0.524 1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.657 0.786 4.002 1.00 0.00 H new ATOM 0 HH TYR A 17 7.419 -0.844 2.537 1.00 0.00 H new ATOM 284 N GLN A 18 3.437 2.071 6.897 1.00 0.00 N ATOM 285 CA GLN A 18 3.957 1.217 7.955 1.00 0.00 C ATOM 286 C GLN A 18 3.952 -0.244 7.519 1.00 0.00 C ATOM 287 O GLN A 18 2.896 -0.853 7.355 1.00 0.00 O ATOM 288 CB GLN A 18 3.131 1.395 9.233 1.00 0.00 C ATOM 289 CG GLN A 18 3.532 0.459 10.363 1.00 0.00 C ATOM 290 CD GLN A 18 2.706 0.668 11.613 1.00 0.00 C ATOM 291 OE1 GLN A 18 3.073 1.445 12.496 1.00 0.00 O ATOM 292 NE2 GLN A 18 1.576 -0.013 11.695 1.00 0.00 N ATOM 0 H GLN A 18 2.560 1.748 6.487 1.00 0.00 H new ATOM 0 HA GLN A 18 4.987 1.509 8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.228 2.425 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.079 1.235 8.999 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.425 -0.573 10.030 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.585 0.610 10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.307 -0.647 10.943 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.973 0.095 12.511 1.00 0.00 H new ATOM 301 N GLU A 19 5.133 -0.800 7.312 1.00 0.00 N ATOM 302 CA GLU A 19 5.251 -2.198 6.933 1.00 0.00 C ATOM 303 C GLU A 19 5.782 -3.023 8.095 1.00 0.00 C ATOM 304 O GLU A 19 6.763 -2.650 8.742 1.00 0.00 O ATOM 305 CB GLU A 19 6.140 -2.349 5.689 1.00 0.00 C ATOM 306 CG GLU A 19 7.474 -1.618 5.775 1.00 0.00 C ATOM 307 CD GLU A 19 8.640 -2.508 6.175 1.00 0.00 C ATOM 308 OE1 GLU A 19 8.460 -3.738 6.280 1.00 0.00 O ATOM 309 OE2 GLU A 19 9.750 -1.967 6.382 1.00 0.00 O ATOM 0 H GLU A 19 6.022 -0.307 7.400 1.00 0.00 H new ATOM 0 HA GLU A 19 4.260 -2.574 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.331 -3.409 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.594 -1.981 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.691 -1.164 4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.386 -0.805 6.496 1.00 0.00 H new ATOM 316 N GLU A 20 5.101 -4.119 8.383 1.00 0.00 N ATOM 317 CA GLU A 20 5.544 -5.040 9.409 1.00 0.00 C ATOM 318 C GLU A 20 6.488 -6.045 8.779 1.00 0.00 C ATOM 319 O GLU A 20 6.073 -6.880 7.984 1.00 0.00 O ATOM 320 CB GLU A 20 4.346 -5.751 10.045 1.00 0.00 C ATOM 321 CG GLU A 20 4.651 -6.347 11.408 1.00 0.00 C ATOM 322 CD GLU A 20 4.962 -5.283 12.442 1.00 0.00 C ATOM 323 OE1 GLU A 20 4.013 -4.743 13.052 1.00 0.00 O ATOM 324 OE2 GLU A 20 6.157 -4.977 12.646 1.00 0.00 O ATOM 0 H GLU A 20 4.236 -4.391 7.917 1.00 0.00 H new ATOM 0 HA GLU A 20 6.062 -4.494 10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.523 -5.043 10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.007 -6.544 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.799 -6.938 11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.498 -7.028 11.324 1.00 0.00 H new ATOM 331 N SER A 21 7.760 -5.937 9.119 1.00 0.00 N ATOM 332 CA SER A 21 8.798 -6.710 8.454 1.00 0.00 C ATOM 333 C SER A 21 8.913 -8.132 9.003 1.00 0.00 C ATOM 334 O SER A 21 9.652 -8.952 8.455 1.00 0.00 O ATOM 335 CB SER A 21 10.134 -5.991 8.603 1.00 0.00 C ATOM 336 OG SER A 21 10.000 -4.612 8.309 1.00 0.00 O ATOM 0 H SER A 21 8.102 -5.319 9.855 1.00 0.00 H new ATOM 0 HA SER A 21 8.524 -6.794 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.508 -6.116 9.619 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.870 -6.440 7.936 1.00 0.00 H new ATOM 0 HG SER A 21 9.264 -4.483 7.675 1.00 0.00 H new ATOM 342 N GLU A 22 8.193 -8.431 10.078 1.00 0.00 N ATOM 343 CA GLU A 22 8.315 -9.740 10.718 1.00 0.00 C ATOM 344 C GLU A 22 6.967 -10.404 10.906 1.00 0.00 C ATOM 345 O GLU A 22 5.946 -9.761 10.676 1.00 0.00 O ATOM 346 CB GLU A 22 9.109 -9.635 12.013 1.00 0.00 C ATOM 347 CG GLU A 22 10.556 -9.257 11.780 1.00 0.00 C ATOM 348 CD GLU A 22 11.391 -9.293 13.039 1.00 0.00 C ATOM 349 OE1 GLU A 22 11.754 -10.406 13.482 1.00 0.00 O ATOM 350 OE2 GLU A 22 11.701 -8.215 13.582 1.00 0.00 O ATOM 0 H GLU A 22 7.528 -7.797 10.521 1.00 0.00 H new ATOM 0 HA GLU A 22 8.877 -10.393 10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.643 -8.893 12.661 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.067 -10.589 12.539 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.988 -9.936 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.599 -8.255 11.352 1.00 0.00 H new ATOM 357 N PRO A 23 6.962 -11.622 11.512 1.00 0.00 N ATOM 358 CA PRO A 23 6.238 -12.815 11.092 1.00 0.00 C ATOM 359 C PRO A 23 5.381 -12.764 9.814 1.00 0.00 C ATOM 360 O PRO A 23 5.176 -13.791 9.164 1.00 0.00 O ATOM 361 CB PRO A 23 5.419 -13.106 12.336 1.00 0.00 C ATOM 362 CG PRO A 23 6.333 -12.710 13.466 1.00 0.00 C ATOM 363 CD PRO A 23 7.489 -11.939 12.844 1.00 0.00 C ATOM 0 HA PRO A 23 6.938 -13.585 10.768 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.493 -12.531 12.349 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.141 -14.158 12.396 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.804 -12.094 14.194 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.696 -13.590 13.997 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.732 -11.040 13.411 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.398 -12.538 12.791 1.00 0.00 H new ATOM 371 N LYS A 24 4.896 -11.608 9.457 1.00 0.00 N ATOM 372 CA LYS A 24 4.091 -11.425 8.276 1.00 0.00 C ATOM 373 C LYS A 24 4.337 -10.041 7.728 1.00 0.00 C ATOM 374 O LYS A 24 3.951 -9.049 8.343 1.00 0.00 O ATOM 375 CB LYS A 24 2.605 -11.594 8.582 1.00 0.00 C ATOM 376 CG LYS A 24 2.028 -12.913 8.097 1.00 0.00 C ATOM 377 CD LYS A 24 2.314 -13.112 6.619 1.00 0.00 C ATOM 378 CE LYS A 24 1.707 -14.400 6.085 1.00 0.00 C ATOM 379 NZ LYS A 24 0.220 -14.360 6.040 1.00 0.00 N ATOM 0 H LYS A 24 5.050 -10.750 9.986 1.00 0.00 H new ATOM 0 HA LYS A 24 4.372 -12.182 7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.454 -11.515 9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.053 -10.775 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.456 -13.736 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.952 -12.931 8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.919 -12.266 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.392 -13.126 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.092 -14.590 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.025 -15.233 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.134 -15.195 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.157 -14.360 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.089 -13.497 5.549 1.00 0.00 H new ATOM 393 N ARG A 25 4.997 -9.970 6.586 1.00 0.00 N ATOM 394 CA ARG A 25 5.295 -8.683 5.981 1.00 0.00 C ATOM 395 C ARG A 25 4.022 -8.028 5.473 1.00 0.00 C ATOM 396 O ARG A 25 3.588 -8.259 4.347 1.00 0.00 O ATOM 397 CB ARG A 25 6.340 -8.800 4.869 1.00 0.00 C ATOM 398 CG ARG A 25 7.738 -9.089 5.397 1.00 0.00 C ATOM 399 CD ARG A 25 8.814 -8.822 4.357 1.00 0.00 C ATOM 400 NE ARG A 25 8.755 -9.754 3.233 1.00 0.00 N ATOM 401 CZ ARG A 25 9.635 -9.770 2.232 1.00 0.00 C ATOM 402 NH1 ARG A 25 10.667 -8.933 2.227 1.00 0.00 N ATOM 403 NH2 ARG A 25 9.499 -10.645 1.245 1.00 0.00 N ATOM 0 H ARG A 25 5.334 -10.778 6.063 1.00 0.00 H new ATOM 0 HA ARG A 25 5.727 -8.047 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.045 -9.594 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.358 -7.873 4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.926 -8.474 6.277 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.795 -10.129 5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.709 -7.803 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.794 -8.890 4.829 1.00 0.00 H new ATOM 0 HE ARG A 25 7.994 -10.433 3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.791 -8.271 2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.336 -8.952 1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.721 -11.305 1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.172 -10.658 0.479 1.00 0.00 H new ATOM 417 N LYS A 26 3.409 -7.240 6.341 1.00 0.00 N ATOM 418 CA LYS A 26 2.177 -6.555 6.010 1.00 0.00 C ATOM 419 C LYS A 26 2.468 -5.100 5.699 1.00 0.00 C ATOM 420 O LYS A 26 2.909 -4.341 6.565 1.00 0.00 O ATOM 421 CB LYS A 26 1.153 -6.653 7.150 1.00 0.00 C ATOM 422 CG LYS A 26 -0.183 -6.010 6.798 1.00 0.00 C ATOM 423 CD LYS A 26 -1.188 -6.079 7.940 1.00 0.00 C ATOM 424 CE LYS A 26 -0.732 -5.281 9.149 1.00 0.00 C ATOM 425 NZ LYS A 26 -1.815 -5.140 10.160 1.00 0.00 N ATOM 0 H LYS A 26 3.750 -7.060 7.285 1.00 0.00 H new ATOM 0 HA LYS A 26 1.747 -7.039 5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.992 -7.702 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.559 -6.173 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.019 -4.967 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.600 -6.506 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.151 -5.701 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.338 -7.119 8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.128 -5.771 9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.403 -4.292 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.465 -4.589 10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.627 -4.650 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.112 -6.082 10.485 1.00 0.00 H new ATOM 439 N ILE A 27 2.223 -4.721 4.461 1.00 0.00 N ATOM 440 CA ILE A 27 2.439 -3.364 4.021 1.00 0.00 C ATOM 441 C ILE A 27 1.176 -2.546 4.254 1.00 0.00 C ATOM 442 O ILE A 27 0.242 -2.572 3.455 1.00 0.00 O ATOM 443 CB ILE A 27 2.833 -3.316 2.529 1.00 0.00 C ATOM 444 CG1 ILE A 27 4.070 -4.187 2.286 1.00 0.00 C ATOM 445 CG2 ILE A 27 3.095 -1.885 2.094 1.00 0.00 C ATOM 446 CD1 ILE A 27 4.493 -4.268 0.834 1.00 0.00 C ATOM 0 H ILE A 27 1.870 -5.345 3.736 1.00 0.00 H new ATOM 0 HA ILE A 27 3.261 -2.941 4.598 1.00 0.00 H new ATOM 0 HB ILE A 27 2.007 -3.707 1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.899 -3.794 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.870 -5.194 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.371 -1.870 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.194 -1.289 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.908 -1.467 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.375 -4.903 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.682 -4.691 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.727 -3.269 0.467 1.00 0.00 H new ATOM 458 N ALA A 28 1.140 -1.863 5.384 1.00 0.00 N ATOM 459 CA ALA A 28 -0.010 -1.063 5.754 1.00 0.00 C ATOM 460 C ALA A 28 0.265 0.406 5.488 1.00 0.00 C ATOM 461 O ALA A 28 0.938 1.072 6.269 1.00 0.00 O ATOM 462 CB ALA A 28 -0.357 -1.285 7.218 1.00 0.00 C ATOM 0 H ALA A 28 1.900 -1.848 6.064 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.862 -1.371 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.223 -0.678 7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.588 -2.338 7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.491 -0.999 7.840 1.00 0.00 H new ATOM 468 N PHE A 29 -0.223 0.909 4.374 1.00 0.00 N ATOM 469 CA PHE A 29 -0.034 2.314 4.071 1.00 0.00 C ATOM 470 C PHE A 29 -1.335 3.082 4.223 1.00 0.00 C ATOM 471 O PHE A 29 -2.380 2.683 3.707 1.00 0.00 O ATOM 472 CB PHE A 29 0.584 2.528 2.682 1.00 0.00 C ATOM 473 CG PHE A 29 -0.025 1.716 1.572 1.00 0.00 C ATOM 474 CD1 PHE A 29 -1.120 2.185 0.861 1.00 0.00 C ATOM 475 CD2 PHE A 29 0.521 0.491 1.223 1.00 0.00 C ATOM 476 CE1 PHE A 29 -1.655 1.444 -0.174 1.00 0.00 C ATOM 477 CE2 PHE A 29 -0.013 -0.254 0.193 1.00 0.00 C ATOM 478 CZ PHE A 29 -1.101 0.222 -0.507 1.00 0.00 C ATOM 0 H PHE A 29 -0.744 0.380 3.675 1.00 0.00 H new ATOM 0 HA PHE A 29 0.678 2.708 4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.500 3.584 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.648 2.297 2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.558 3.138 1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.376 0.115 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.506 1.819 -0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.420 -1.209 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.520 -0.359 -1.315 1.00 0.00 H new ATOM 488 N THR A 30 -1.266 4.170 4.971 1.00 0.00 N ATOM 489 CA THR A 30 -2.416 5.025 5.184 1.00 0.00 C ATOM 490 C THR A 30 -2.599 5.974 4.005 1.00 0.00 C ATOM 491 O THR A 30 -1.787 6.880 3.785 1.00 0.00 O ATOM 492 CB THR A 30 -2.261 5.829 6.485 1.00 0.00 C ATOM 493 OG1 THR A 30 -1.884 4.947 7.542 1.00 0.00 O ATOM 494 CG2 THR A 30 -3.558 6.527 6.852 1.00 0.00 C ATOM 0 H THR A 30 -0.417 4.482 5.443 1.00 0.00 H new ATOM 0 HA THR A 30 -3.299 4.392 5.268 1.00 0.00 H new ATOM 0 HB THR A 30 -1.492 6.587 6.334 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.977 4.612 7.380 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.420 7.088 7.776 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.843 7.210 6.052 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.344 5.785 6.992 1.00 0.00 H new ATOM 502 N LEU A 31 -3.654 5.741 3.240 1.00 0.00 N ATOM 503 CA LEU A 31 -3.940 6.526 2.049 1.00 0.00 C ATOM 504 C LEU A 31 -5.028 7.545 2.356 1.00 0.00 C ATOM 505 O LEU A 31 -6.170 7.171 2.597 1.00 0.00 O ATOM 506 CB LEU A 31 -4.400 5.591 0.923 1.00 0.00 C ATOM 507 CG LEU A 31 -3.942 5.974 -0.489 1.00 0.00 C ATOM 508 CD1 LEU A 31 -4.203 4.837 -1.461 1.00 0.00 C ATOM 509 CD2 LEU A 31 -4.649 7.232 -0.965 1.00 0.00 C ATOM 0 H LEU A 31 -4.335 5.004 3.426 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.040 7.054 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.040 4.585 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.489 5.549 0.933 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.870 6.170 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.871 5.127 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.655 3.951 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.270 4.615 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.307 7.484 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.725 7.061 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.422 8.055 -0.288 1.00 0.00 H new ATOM 521 N ASN A 32 -4.682 8.827 2.371 1.00 0.00 N ATOM 522 CA ASN A 32 -5.666 9.855 2.670 1.00 0.00 C ATOM 523 C ASN A 32 -6.360 10.362 1.402 1.00 0.00 C ATOM 524 O ASN A 32 -5.980 11.375 0.813 1.00 0.00 O ATOM 525 CB ASN A 32 -5.052 11.006 3.484 1.00 0.00 C ATOM 526 CG ASN A 32 -3.724 11.535 2.955 1.00 0.00 C ATOM 527 OD1 ASN A 32 -2.844 11.901 3.729 1.00 0.00 O ATOM 528 ND2 ASN A 32 -3.578 11.610 1.646 1.00 0.00 N ATOM 0 H ASN A 32 -3.742 9.174 2.182 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.434 9.395 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.766 11.829 3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.908 10.668 4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.714 11.981 1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.329 11.297 1.030 1.00 0.00 H new ATOM 535 N VAL A 33 -7.384 9.643 0.991 1.00 0.00 N ATOM 536 CA VAL A 33 -8.163 10.001 -0.187 1.00 0.00 C ATOM 537 C VAL A 33 -9.017 11.222 0.130 1.00 0.00 C ATOM 538 O VAL A 33 -9.392 11.424 1.274 1.00 0.00 O ATOM 539 CB VAL A 33 -9.063 8.825 -0.621 1.00 0.00 C ATOM 540 CG1 VAL A 33 -9.937 9.207 -1.803 1.00 0.00 C ATOM 541 CG2 VAL A 33 -8.216 7.606 -0.951 1.00 0.00 C ATOM 0 H VAL A 33 -7.703 8.795 1.460 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.483 10.231 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.722 8.578 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.559 8.358 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.574 10.048 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.306 9.490 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.864 6.784 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.531 7.848 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.645 7.311 -0.071 1.00 0.00 H new ATOM 551 N THR A 34 -9.301 12.057 -0.849 1.00 0.00 N ATOM 552 CA THR A 34 -10.075 13.252 -0.576 1.00 0.00 C ATOM 553 C THR A 34 -11.542 13.039 -0.955 1.00 0.00 C ATOM 554 O THR A 34 -11.876 12.092 -1.670 1.00 0.00 O ATOM 555 CB THR A 34 -9.497 14.492 -1.292 1.00 0.00 C ATOM 556 OG1 THR A 34 -10.193 14.734 -2.520 1.00 0.00 O ATOM 557 CG2 THR A 34 -8.011 14.312 -1.588 1.00 0.00 C ATOM 0 H THR A 34 -9.015 11.936 -1.821 1.00 0.00 H new ATOM 0 HA THR A 34 -10.015 13.443 0.495 1.00 0.00 H new ATOM 0 HB THR A 34 -9.626 15.345 -0.625 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.815 15.524 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.630 15.200 -2.092 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.469 14.165 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.871 13.442 -2.230 1.00 0.00 H new ATOM 565 N SER A 35 -12.411 13.923 -0.484 1.00 0.00 N ATOM 566 CA SER A 35 -13.848 13.767 -0.673 1.00 0.00 C ATOM 567 C SER A 35 -14.280 14.101 -2.101 1.00 0.00 C ATOM 568 O SER A 35 -15.454 13.964 -2.450 1.00 0.00 O ATOM 569 CB SER A 35 -14.586 14.643 0.337 1.00 0.00 C ATOM 570 OG SER A 35 -13.908 15.877 0.517 1.00 0.00 O ATOM 0 H SER A 35 -12.145 14.760 0.034 1.00 0.00 H new ATOM 0 HA SER A 35 -14.104 12.721 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.603 14.828 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.663 14.122 1.291 1.00 0.00 H new ATOM 0 HG SER A 35 -14.395 16.426 1.166 1.00 0.00 H new ATOM 576 N GLU A 36 -13.320 14.504 -2.925 1.00 0.00 N ATOM 577 CA GLU A 36 -13.583 14.864 -4.312 1.00 0.00 C ATOM 578 C GLU A 36 -14.164 13.675 -5.076 1.00 0.00 C ATOM 579 O GLU A 36 -15.256 13.755 -5.638 1.00 0.00 O ATOM 580 CB GLU A 36 -12.285 15.333 -4.976 1.00 0.00 C ATOM 581 CG GLU A 36 -12.468 15.899 -6.375 1.00 0.00 C ATOM 582 CD GLU A 36 -13.341 17.138 -6.398 1.00 0.00 C ATOM 583 OE1 GLU A 36 -12.970 18.148 -5.767 1.00 0.00 O ATOM 584 OE2 GLU A 36 -14.397 17.111 -7.065 1.00 0.00 O ATOM 0 H GLU A 36 -12.341 14.590 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.312 15.674 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.823 16.093 -4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.591 14.494 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.492 16.140 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.911 15.136 -7.016 1.00 0.00 H new ATOM 591 N THR A 37 -13.433 12.573 -5.070 1.00 0.00 N ATOM 592 CA THR A 37 -13.841 11.372 -5.783 1.00 0.00 C ATOM 593 C THR A 37 -14.298 10.284 -4.812 1.00 0.00 C ATOM 594 O THR A 37 -14.639 9.171 -5.215 1.00 0.00 O ATOM 595 CB THR A 37 -12.673 10.846 -6.635 1.00 0.00 C ATOM 596 OG1 THR A 37 -11.473 10.841 -5.848 1.00 0.00 O ATOM 597 CG2 THR A 37 -12.468 11.703 -7.876 1.00 0.00 C ATOM 0 H THR A 37 -12.546 12.484 -4.575 1.00 0.00 H new ATOM 0 HA THR A 37 -14.679 11.631 -6.430 1.00 0.00 H new ATOM 0 HB THR A 37 -12.911 9.832 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.728 10.504 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.636 11.307 -8.458 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.374 11.689 -8.482 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.247 12.728 -7.578 1.00 0.00 H new ATOM 605 N TYR A 38 -14.335 10.639 -3.527 1.00 0.00 N ATOM 606 CA TYR A 38 -14.629 9.700 -2.440 1.00 0.00 C ATOM 607 C TYR A 38 -15.979 8.999 -2.613 1.00 0.00 C ATOM 608 O TYR A 38 -16.215 7.954 -2.014 1.00 0.00 O ATOM 609 CB TYR A 38 -14.593 10.453 -1.103 1.00 0.00 C ATOM 610 CG TYR A 38 -14.920 9.609 0.111 1.00 0.00 C ATOM 611 CD1 TYR A 38 -13.986 8.735 0.652 1.00 0.00 C ATOM 612 CD2 TYR A 38 -16.169 9.689 0.713 1.00 0.00 C ATOM 613 CE1 TYR A 38 -14.287 7.966 1.761 1.00 0.00 C ATOM 614 CE2 TYR A 38 -16.478 8.926 1.820 1.00 0.00 C ATOM 615 CZ TYR A 38 -15.535 8.065 2.340 1.00 0.00 C ATOM 616 OH TYR A 38 -15.840 7.304 3.449 1.00 0.00 O ATOM 0 H TYR A 38 -14.161 11.592 -3.208 1.00 0.00 H new ATOM 0 HA TYR A 38 -13.867 8.921 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -13.600 10.884 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -15.297 11.284 -1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -13.009 8.655 0.199 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -16.911 10.360 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -13.550 7.292 2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -17.454 9.003 2.277 1.00 0.00 H new ATOM 0 HH TYR A 38 -16.758 7.494 3.733 1.00 0.00 H new ATOM 626 N HIS A 39 -16.843 9.562 -3.448 1.00 0.00 N ATOM 627 CA HIS A 39 -18.195 9.033 -3.631 1.00 0.00 C ATOM 628 C HIS A 39 -18.169 7.553 -4.002 1.00 0.00 C ATOM 629 O HIS A 39 -18.763 6.722 -3.314 1.00 0.00 O ATOM 630 CB HIS A 39 -18.947 9.819 -4.709 1.00 0.00 C ATOM 631 CG HIS A 39 -19.058 11.284 -4.422 1.00 0.00 C ATOM 632 ND1 HIS A 39 -19.638 11.789 -3.281 1.00 0.00 N ATOM 633 CD2 HIS A 39 -18.651 12.355 -5.139 1.00 0.00 C ATOM 634 CE1 HIS A 39 -19.581 13.108 -3.307 1.00 0.00 C ATOM 635 NE2 HIS A 39 -18.984 13.477 -4.425 1.00 0.00 N ATOM 0 H HIS A 39 -16.634 10.386 -4.011 1.00 0.00 H new ATOM 0 HA HIS A 39 -18.716 9.143 -2.680 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -18.440 9.683 -5.665 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -19.948 9.403 -4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -18.155 12.331 -6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -19.959 13.772 -2.543 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -18.801 14.439 -4.711 1.00 0.00 H new ATOM 644 N ASP A 40 -17.465 7.224 -5.078 1.00 0.00 N ATOM 645 CA ASP A 40 -17.354 5.841 -5.518 1.00 0.00 C ATOM 646 C ASP A 40 -16.373 5.078 -4.640 1.00 0.00 C ATOM 647 O ASP A 40 -16.530 3.881 -4.406 1.00 0.00 O ATOM 648 CB ASP A 40 -16.895 5.770 -6.973 1.00 0.00 C ATOM 649 CG ASP A 40 -17.930 6.301 -7.939 1.00 0.00 C ATOM 650 OD1 ASP A 40 -18.949 5.611 -8.166 1.00 0.00 O ATOM 651 OD2 ASP A 40 -17.733 7.411 -8.477 1.00 0.00 O ATOM 0 H ASP A 40 -16.964 7.895 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 40 -18.340 5.384 -5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.972 6.339 -7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.664 4.735 -7.227 1.00 0.00 H new ATOM 656 N ILE A 41 -15.375 5.793 -4.142 1.00 0.00 N ATOM 657 CA ILE A 41 -14.305 5.192 -3.353 1.00 0.00 C ATOM 658 C ILE A 41 -14.828 4.655 -2.022 1.00 0.00 C ATOM 659 O ILE A 41 -14.284 3.698 -1.472 1.00 0.00 O ATOM 660 CB ILE A 41 -13.177 6.211 -3.101 1.00 0.00 C ATOM 661 CG1 ILE A 41 -12.719 6.798 -4.434 1.00 0.00 C ATOM 662 CG2 ILE A 41 -12.007 5.562 -2.374 1.00 0.00 C ATOM 663 CD1 ILE A 41 -11.719 7.920 -4.293 1.00 0.00 C ATOM 0 H ILE A 41 -15.282 6.801 -4.271 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.906 4.355 -3.926 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.559 7.010 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.278 6.005 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.590 7.166 -4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.225 6.303 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.346 5.172 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.611 4.745 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.441 8.286 -5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.162 8.732 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.831 7.553 -3.779 1.00 0.00 H new ATOM 675 N ALA A 42 -15.895 5.267 -1.519 1.00 0.00 N ATOM 676 CA ALA A 42 -16.545 4.800 -0.297 1.00 0.00 C ATOM 677 C ALA A 42 -17.154 3.418 -0.509 1.00 0.00 C ATOM 678 O ALA A 42 -17.373 2.668 0.443 1.00 0.00 O ATOM 679 CB ALA A 42 -17.618 5.786 0.141 1.00 0.00 C ATOM 0 H ALA A 42 -16.329 6.089 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.792 4.730 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -18.094 5.425 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -17.163 6.758 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -18.367 5.882 -0.645 1.00 0.00 H new ATOM 685 N VAL A 43 -17.432 3.092 -1.764 1.00 0.00 N ATOM 686 CA VAL A 43 -17.976 1.790 -2.114 1.00 0.00 C ATOM 687 C VAL A 43 -16.842 0.792 -2.323 1.00 0.00 C ATOM 688 O VAL A 43 -16.995 -0.398 -2.062 1.00 0.00 O ATOM 689 CB VAL A 43 -18.840 1.863 -3.392 1.00 0.00 C ATOM 690 CG1 VAL A 43 -19.562 0.547 -3.636 1.00 0.00 C ATOM 691 CG2 VAL A 43 -19.834 3.011 -3.306 1.00 0.00 C ATOM 0 H VAL A 43 -17.288 3.715 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 43 -18.611 1.462 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 43 -18.176 2.047 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -20.164 0.624 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.831 -0.253 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -20.210 0.325 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -20.432 3.044 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -20.489 2.862 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.295 3.951 -3.192 1.00 0.00 H new ATOM 701 N LEU A 44 -15.701 1.293 -2.791 1.00 0.00 N ATOM 702 CA LEU A 44 -14.517 0.463 -2.973 1.00 0.00 C ATOM 703 C LEU A 44 -13.946 0.034 -1.627 1.00 0.00 C ATOM 704 O LEU A 44 -13.923 0.809 -0.669 1.00 0.00 O ATOM 705 CB LEU A 44 -13.442 1.201 -3.783 1.00 0.00 C ATOM 706 CG LEU A 44 -13.542 1.075 -5.310 1.00 0.00 C ATOM 707 CD1 LEU A 44 -13.502 -0.386 -5.729 1.00 0.00 C ATOM 708 CD2 LEU A 44 -14.803 1.737 -5.839 1.00 0.00 C ATOM 0 H LEU A 44 -15.573 2.271 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.820 -0.425 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.482 2.259 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.465 0.833 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.683 1.590 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.574 -0.455 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.565 -0.834 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.338 -0.918 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.843 1.630 -6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.677 1.261 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.795 2.796 -5.579 1.00 0.00 H new ATOM 720 N LEU A 45 -13.485 -1.206 -1.564 1.00 0.00 N ATOM 721 CA LEU A 45 -12.906 -1.748 -0.353 1.00 0.00 C ATOM 722 C LEU A 45 -12.063 -2.970 -0.692 1.00 0.00 C ATOM 723 O LEU A 45 -12.587 -4.013 -1.093 1.00 0.00 O ATOM 724 CB LEU A 45 -13.988 -2.091 0.698 1.00 0.00 C ATOM 725 CG LEU A 45 -14.907 -3.285 0.395 1.00 0.00 C ATOM 726 CD1 LEU A 45 -15.733 -3.638 1.621 1.00 0.00 C ATOM 727 CD2 LEU A 45 -15.830 -3.000 -0.781 1.00 0.00 C ATOM 0 H LEU A 45 -13.503 -1.858 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.266 -0.986 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -13.488 -2.282 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -14.614 -1.210 0.839 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.271 -4.129 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.380 -4.485 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.068 -3.900 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.344 -2.782 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.464 -3.867 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.454 -2.136 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.234 -2.792 -1.669 1.00 0.00 H new ATOM 739 N TYR A 46 -10.747 -2.789 -0.595 1.00 0.00 N ATOM 740 CA TYR A 46 -9.747 -3.858 -0.786 1.00 0.00 C ATOM 741 C TYR A 46 -9.632 -4.202 -2.263 1.00 0.00 C ATOM 742 O TYR A 46 -8.583 -4.012 -2.876 1.00 0.00 O ATOM 743 CB TYR A 46 -10.085 -5.137 -0.002 1.00 0.00 C ATOM 744 CG TYR A 46 -10.745 -4.914 1.337 1.00 0.00 C ATOM 745 CD1 TYR A 46 -10.100 -4.236 2.357 1.00 0.00 C ATOM 746 CD2 TYR A 46 -12.030 -5.387 1.568 1.00 0.00 C ATOM 747 CE1 TYR A 46 -10.714 -4.036 3.577 1.00 0.00 C ATOM 748 CE2 TYR A 46 -12.653 -5.193 2.783 1.00 0.00 C ATOM 749 CZ TYR A 46 -11.993 -4.515 3.785 1.00 0.00 C ATOM 750 OH TYR A 46 -12.613 -4.317 4.997 1.00 0.00 O ATOM 0 H TYR A 46 -10.331 -1.883 -0.378 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.801 -3.474 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.741 -5.756 -0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.166 -5.702 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.101 -3.858 2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.550 -5.916 0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.197 -3.508 4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.652 -5.570 2.948 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.725 -3.356 5.154 1.00 0.00 H new ATOM 760 N GLU A 47 -10.729 -4.724 -2.804 1.00 0.00 N ATOM 761 CA GLU A 47 -10.898 -4.950 -4.231 1.00 0.00 C ATOM 762 C GLU A 47 -10.169 -6.189 -4.724 1.00 0.00 C ATOM 763 O GLU A 47 -10.782 -7.221 -4.993 1.00 0.00 O ATOM 764 CB GLU A 47 -10.414 -3.736 -5.027 1.00 0.00 C ATOM 765 CG GLU A 47 -11.411 -3.205 -6.033 1.00 0.00 C ATOM 766 CD GLU A 47 -11.402 -3.989 -7.330 1.00 0.00 C ATOM 767 OE1 GLU A 47 -10.314 -4.152 -7.918 1.00 0.00 O ATOM 768 OE2 GLU A 47 -12.479 -4.426 -7.780 1.00 0.00 O ATOM 0 H GLU A 47 -11.538 -5.006 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.965 -5.106 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.161 -2.938 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.496 -4.004 -5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.411 -3.237 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.188 -2.159 -6.243 1.00 0.00 H new ATOM 775 N LYS A 48 -8.858 -6.084 -4.824 1.00 0.00 N ATOM 776 CA LYS A 48 -8.088 -7.035 -5.596 1.00 0.00 C ATOM 777 C LYS A 48 -6.718 -7.270 -4.964 1.00 0.00 C ATOM 778 O LYS A 48 -6.463 -6.842 -3.838 1.00 0.00 O ATOM 779 CB LYS A 48 -7.924 -6.467 -7.009 1.00 0.00 C ATOM 780 CG LYS A 48 -7.837 -7.516 -8.100 1.00 0.00 C ATOM 781 CD LYS A 48 -9.166 -8.225 -8.313 1.00 0.00 C ATOM 782 CE LYS A 48 -10.293 -7.240 -8.581 1.00 0.00 C ATOM 783 NZ LYS A 48 -10.021 -6.376 -9.764 1.00 0.00 N ATOM 0 H LYS A 48 -8.306 -5.350 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.606 -7.994 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.765 -5.808 -7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.023 -5.854 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.523 -7.045 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.073 -8.248 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.079 -8.916 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.406 -8.821 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.221 -7.788 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.441 -6.612 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.808 -5.409 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.208 -6.755 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.857 -6.360 -10.382 1.00 0.00 H new ATOM 797 N THR A 49 -5.855 -7.965 -5.691 1.00 0.00 N ATOM 798 CA THR A 49 -4.467 -8.119 -5.297 1.00 0.00 C ATOM 799 C THR A 49 -3.673 -6.908 -5.757 1.00 0.00 C ATOM 800 O THR A 49 -4.054 -6.230 -6.713 1.00 0.00 O ATOM 801 CB THR A 49 -3.848 -9.415 -5.874 1.00 0.00 C ATOM 802 OG1 THR A 49 -2.420 -9.415 -5.737 1.00 0.00 O ATOM 803 CG2 THR A 49 -4.220 -9.604 -7.341 1.00 0.00 C ATOM 0 H THR A 49 -6.097 -8.434 -6.564 1.00 0.00 H new ATOM 0 HA THR A 49 -4.428 -8.195 -4.210 1.00 0.00 H new ATOM 0 HB THR A 49 -4.257 -10.246 -5.299 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.182 -9.460 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.769 -10.523 -7.715 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.304 -9.666 -7.436 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.853 -8.758 -7.921 1.00 0.00 H new ATOM 811 N PHE A 50 -2.584 -6.635 -5.072 1.00 0.00 N ATOM 812 CA PHE A 50 -1.796 -5.448 -5.366 1.00 0.00 C ATOM 813 C PHE A 50 -0.360 -5.802 -5.691 1.00 0.00 C ATOM 814 O PHE A 50 0.284 -6.575 -4.978 1.00 0.00 O ATOM 815 CB PHE A 50 -1.826 -4.469 -4.196 1.00 0.00 C ATOM 816 CG PHE A 50 -3.183 -3.896 -3.910 1.00 0.00 C ATOM 817 CD1 PHE A 50 -3.638 -2.786 -4.603 1.00 0.00 C ATOM 818 CD2 PHE A 50 -3.996 -4.459 -2.942 1.00 0.00 C ATOM 819 CE1 PHE A 50 -4.881 -2.251 -4.334 1.00 0.00 C ATOM 820 CE2 PHE A 50 -5.239 -3.930 -2.670 1.00 0.00 C ATOM 821 CZ PHE A 50 -5.683 -2.824 -3.367 1.00 0.00 C ATOM 0 H PHE A 50 -2.222 -7.211 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.244 -4.975 -6.240 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.462 -4.976 -3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.135 -3.652 -4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.014 -2.335 -5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.652 -5.323 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.226 -1.385 -4.879 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.865 -4.380 -1.913 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.657 -2.407 -3.156 1.00 0.00 H new ATOM 831 N ASN A 51 0.138 -5.231 -6.775 1.00 0.00 N ATOM 832 CA ASN A 51 1.524 -5.409 -7.156 1.00 0.00 C ATOM 833 C ASN A 51 2.356 -4.261 -6.597 1.00 0.00 C ATOM 834 O ASN A 51 2.532 -3.229 -7.247 1.00 0.00 O ATOM 835 CB ASN A 51 1.665 -5.478 -8.681 1.00 0.00 C ATOM 836 CG ASN A 51 3.064 -5.865 -9.123 1.00 0.00 C ATOM 837 OD1 ASN A 51 3.364 -7.044 -9.296 1.00 0.00 O ATOM 838 ND2 ASN A 51 3.929 -4.879 -9.309 1.00 0.00 N ATOM 0 H ASN A 51 -0.401 -4.639 -7.407 1.00 0.00 H new ATOM 0 HA ASN A 51 1.885 -6.351 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.951 -6.201 -9.075 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.408 -4.509 -9.110 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.882 -5.086 -9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.642 -3.913 -9.155 1.00 0.00 H new ATOM 845 N VAL A 52 2.821 -4.437 -5.370 1.00 0.00 N ATOM 846 CA VAL A 52 3.622 -3.430 -4.692 1.00 0.00 C ATOM 847 C VAL A 52 5.055 -3.478 -5.199 1.00 0.00 C ATOM 848 O VAL A 52 5.782 -4.440 -4.944 1.00 0.00 O ATOM 849 CB VAL A 52 3.625 -3.645 -3.161 1.00 0.00 C ATOM 850 CG1 VAL A 52 4.326 -2.496 -2.452 1.00 0.00 C ATOM 851 CG2 VAL A 52 2.210 -3.823 -2.633 1.00 0.00 C ATOM 0 H VAL A 52 2.655 -5.278 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 52 3.179 -2.458 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 52 4.180 -4.560 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.315 -2.671 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.358 -2.430 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.809 -1.562 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.240 -3.973 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.622 -2.933 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.751 -4.691 -3.107 1.00 0.00 H new ATOM 861 N GLU A 53 5.452 -2.451 -5.924 1.00 0.00 N ATOM 862 CA GLU A 53 6.780 -2.406 -6.502 1.00 0.00 C ATOM 863 C GLU A 53 7.529 -1.188 -6.010 1.00 0.00 C ATOM 864 O GLU A 53 7.065 -0.051 -6.132 1.00 0.00 O ATOM 865 CB GLU A 53 6.679 -2.437 -8.034 1.00 0.00 C ATOM 866 CG GLU A 53 7.992 -2.697 -8.758 1.00 0.00 C ATOM 867 CD GLU A 53 8.849 -1.458 -8.905 1.00 0.00 C ATOM 868 OE1 GLU A 53 8.390 -0.494 -9.553 1.00 0.00 O ATOM 869 OE2 GLU A 53 9.981 -1.450 -8.385 1.00 0.00 O ATOM 0 H GLU A 53 4.873 -1.636 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 53 7.346 -3.282 -6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.964 -3.208 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.275 -1.484 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.554 -3.457 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.780 -3.103 -9.747 1.00 0.00 H new ATOM 876 N VAL A 54 8.683 -1.455 -5.433 1.00 0.00 N ATOM 877 CA VAL A 54 9.523 -0.423 -4.878 1.00 0.00 C ATOM 878 C VAL A 54 10.972 -0.611 -5.343 1.00 0.00 C ATOM 879 O VAL A 54 11.621 -1.610 -5.021 1.00 0.00 O ATOM 880 CB VAL A 54 9.428 -0.409 -3.335 1.00 0.00 C ATOM 881 CG1 VAL A 54 9.819 -1.749 -2.734 1.00 0.00 C ATOM 882 CG2 VAL A 54 10.275 0.705 -2.770 1.00 0.00 C ATOM 0 H VAL A 54 9.062 -2.397 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 54 9.172 0.544 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 54 8.387 -0.229 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.739 -1.698 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.153 -2.525 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.846 -1.986 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.199 0.704 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.315 0.555 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.924 1.661 -3.157 1.00 0.00 H new ATOM 892 N PRO A 55 11.487 0.346 -6.132 1.00 0.00 N ATOM 893 CA PRO A 55 12.827 0.254 -6.723 1.00 0.00 C ATOM 894 C PRO A 55 13.951 0.357 -5.690 1.00 0.00 C ATOM 895 O PRO A 55 15.007 -0.254 -5.856 1.00 0.00 O ATOM 896 CB PRO A 55 12.876 1.440 -7.690 1.00 0.00 C ATOM 897 CG PRO A 55 11.865 2.405 -7.174 1.00 0.00 C ATOM 898 CD PRO A 55 10.787 1.579 -6.533 1.00 0.00 C ATOM 0 HA PRO A 55 12.984 -0.713 -7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.870 1.887 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.640 1.129 -8.708 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.312 3.089 -6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.460 3.014 -7.982 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.349 2.088 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.975 1.370 -7.229 1.00 0.00 H new ATOM 906 N GLU A 56 13.719 1.122 -4.624 1.00 0.00 N ATOM 907 CA GLU A 56 14.741 1.338 -3.598 1.00 0.00 C ATOM 908 C GLU A 56 15.131 0.027 -2.919 1.00 0.00 C ATOM 909 O GLU A 56 16.286 -0.392 -2.967 1.00 0.00 O ATOM 910 CB GLU A 56 14.254 2.329 -2.538 1.00 0.00 C ATOM 911 CG GLU A 56 15.251 2.520 -1.404 1.00 0.00 C ATOM 912 CD GLU A 56 14.711 3.365 -0.274 1.00 0.00 C ATOM 913 OE1 GLU A 56 13.889 2.856 0.517 1.00 0.00 O ATOM 914 OE2 GLU A 56 15.124 4.538 -0.153 1.00 0.00 O ATOM 0 H GLU A 56 12.836 1.601 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 56 15.616 1.751 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.059 3.292 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.307 1.978 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.539 1.544 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.155 2.985 -1.798 1.00 0.00 H new ATOM 921 N ARG A 57 14.158 -0.616 -2.291 1.00 0.00 N ATOM 922 CA ARG A 57 14.409 -1.835 -1.536 1.00 0.00 C ATOM 923 C ARG A 57 14.401 -3.050 -2.455 1.00 0.00 C ATOM 924 O ARG A 57 14.620 -4.176 -2.007 1.00 0.00 O ATOM 925 CB ARG A 57 13.351 -1.992 -0.442 1.00 0.00 C ATOM 926 CG ARG A 57 13.261 -0.793 0.489 1.00 0.00 C ATOM 927 CD ARG A 57 12.153 -0.961 1.517 1.00 0.00 C ATOM 928 NE ARG A 57 12.360 -2.140 2.356 1.00 0.00 N ATOM 929 CZ ARG A 57 11.840 -2.293 3.578 1.00 0.00 C ATOM 930 NH1 ARG A 57 11.064 -1.348 4.101 1.00 0.00 N ATOM 931 NH2 ARG A 57 12.096 -3.394 4.272 1.00 0.00 N ATOM 0 H ARG A 57 13.184 -0.313 -2.289 1.00 0.00 H new ATOM 0 HA ARG A 57 15.394 -1.764 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.379 -2.154 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.576 -2.882 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.214 -0.657 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.081 0.109 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.104 -0.072 2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.194 -1.043 1.006 1.00 0.00 H new ATOM 0 HE ARG A 57 12.938 -2.894 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.863 -0.501 3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.670 -1.470 5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.689 -4.122 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.700 -3.513 5.205 1.00 0.00 H new ATOM 945 N ASP A 58 14.153 -2.797 -3.741 1.00 0.00 N ATOM 946 CA ASP A 58 14.039 -3.848 -4.750 1.00 0.00 C ATOM 947 C ASP A 58 12.986 -4.868 -4.348 1.00 0.00 C ATOM 948 O ASP A 58 13.290 -5.913 -3.771 1.00 0.00 O ATOM 949 CB ASP A 58 15.382 -4.542 -5.002 1.00 0.00 C ATOM 950 CG ASP A 58 15.268 -5.684 -5.994 1.00 0.00 C ATOM 951 OD1 ASP A 58 15.013 -5.421 -7.190 1.00 0.00 O ATOM 952 OD2 ASP A 58 15.436 -6.852 -5.589 1.00 0.00 O ATOM 0 H ASP A 58 14.026 -1.855 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 58 13.731 -3.372 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.101 -3.812 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.774 -4.922 -4.059 1.00 0.00 H new ATOM 957 N LEU A 59 11.738 -4.538 -4.611 1.00 0.00 N ATOM 958 CA LEU A 59 10.649 -5.436 -4.302 1.00 0.00 C ATOM 959 C LEU A 59 9.565 -5.360 -5.358 1.00 0.00 C ATOM 960 O LEU A 59 8.771 -4.422 -5.378 1.00 0.00 O ATOM 961 CB LEU A 59 10.055 -5.114 -2.930 1.00 0.00 C ATOM 962 CG LEU A 59 10.208 -6.211 -1.876 1.00 0.00 C ATOM 963 CD1 LEU A 59 9.606 -5.761 -0.554 1.00 0.00 C ATOM 964 CD2 LEU A 59 9.548 -7.497 -2.352 1.00 0.00 C ATOM 0 H LEU A 59 11.455 -3.656 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 59 11.051 -6.449 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.524 -4.205 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.994 -4.898 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 59 11.270 -6.403 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.722 -6.552 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.117 -4.862 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.546 -5.545 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.665 -8.269 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.487 -7.318 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.019 -7.826 -3.278 1.00 0.00 H new ATOM 976 N ALA A 60 9.573 -6.317 -6.268 1.00 0.00 N ATOM 977 CA ALA A 60 8.445 -6.516 -7.155 1.00 0.00 C ATOM 978 C ALA A 60 7.516 -7.534 -6.517 1.00 0.00 C ATOM 979 O ALA A 60 7.578 -8.731 -6.806 1.00 0.00 O ATOM 980 CB ALA A 60 8.901 -6.973 -8.533 1.00 0.00 C ATOM 0 H ALA A 60 10.347 -6.966 -6.411 1.00 0.00 H new ATOM 0 HA ALA A 60 7.917 -5.573 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.032 -7.114 -9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.556 -6.218 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.442 -7.915 -8.443 1.00 0.00 H new ATOM 986 N PHE A 61 6.684 -7.052 -5.612 1.00 0.00 N ATOM 987 CA PHE A 61 5.874 -7.920 -4.781 1.00 0.00 C ATOM 988 C PHE A 61 4.431 -7.906 -5.243 1.00 0.00 C ATOM 989 O PHE A 61 3.921 -6.883 -5.686 1.00 0.00 O ATOM 990 CB PHE A 61 5.976 -7.463 -3.320 1.00 0.00 C ATOM 991 CG PHE A 61 5.256 -8.336 -2.332 1.00 0.00 C ATOM 992 CD1 PHE A 61 5.677 -9.636 -2.097 1.00 0.00 C ATOM 993 CD2 PHE A 61 4.160 -7.855 -1.636 1.00 0.00 C ATOM 994 CE1 PHE A 61 5.016 -10.438 -1.186 1.00 0.00 C ATOM 995 CE2 PHE A 61 3.496 -8.653 -0.724 1.00 0.00 C ATOM 996 CZ PHE A 61 3.923 -9.945 -0.499 1.00 0.00 C ATOM 0 H PHE A 61 6.552 -6.056 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 61 6.243 -8.942 -4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.029 -7.417 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.581 -6.450 -3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.531 -10.026 -2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.820 -6.844 -1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.353 -11.449 -1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.643 -8.265 -0.187 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.404 -10.570 0.213 1.00 0.00 H new ATOM 1006 N ARG A 62 3.779 -9.045 -5.146 1.00 0.00 N ATOM 1007 CA ARG A 62 2.381 -9.148 -5.502 1.00 0.00 C ATOM 1008 C ARG A 62 1.628 -9.808 -4.360 1.00 0.00 C ATOM 1009 O ARG A 62 1.522 -11.033 -4.289 1.00 0.00 O ATOM 1010 CB ARG A 62 2.225 -9.931 -6.805 1.00 0.00 C ATOM 1011 CG ARG A 62 0.833 -9.863 -7.406 1.00 0.00 C ATOM 1012 CD ARG A 62 0.901 -9.765 -8.924 1.00 0.00 C ATOM 1013 NE ARG A 62 1.601 -10.902 -9.528 1.00 0.00 N ATOM 1014 CZ ARG A 62 2.846 -10.852 -10.013 1.00 0.00 C ATOM 1015 NH1 ARG A 62 3.551 -9.727 -9.948 1.00 0.00 N ATOM 1016 NH2 ARG A 62 3.379 -11.931 -10.566 1.00 0.00 N ATOM 0 H ARG A 62 4.198 -9.917 -4.822 1.00 0.00 H new ATOM 0 HA ARG A 62 1.963 -8.155 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.942 -9.551 -7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.479 -10.975 -6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.265 -10.748 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.301 -9.000 -7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.110 -9.709 -9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.407 -8.841 -9.203 1.00 0.00 H new ATOM 0 HE ARG A 62 1.105 -11.792 -9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.143 -8.893 -9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.500 -9.698 -10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.840 -12.795 -10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.328 -11.898 -10.937 1.00 0.00 H new ATOM 1030 N GLY A 63 1.144 -8.982 -3.445 1.00 0.00 N ATOM 1031 CA GLY A 63 0.514 -9.486 -2.245 1.00 0.00 C ATOM 1032 C GLY A 63 -0.986 -9.506 -2.359 1.00 0.00 C ATOM 1033 O GLY A 63 -1.557 -8.906 -3.272 1.00 0.00 O ATOM 0 H GLY A 63 1.177 -7.965 -3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.875 -10.494 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.804 -8.867 -1.396 1.00 0.00 H new ATOM 1037 N GLU A 64 -1.632 -10.182 -1.432 1.00 0.00 N ATOM 1038 CA GLU A 64 -3.071 -10.304 -1.469 1.00 0.00 C ATOM 1039 C GLU A 64 -3.712 -9.455 -0.386 1.00 0.00 C ATOM 1040 O GLU A 64 -3.143 -9.245 0.684 1.00 0.00 O ATOM 1041 CB GLU A 64 -3.488 -11.777 -1.355 1.00 0.00 C ATOM 1042 CG GLU A 64 -2.850 -12.544 -0.196 1.00 0.00 C ATOM 1043 CD GLU A 64 -3.500 -12.266 1.148 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -4.744 -12.338 1.233 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -2.765 -11.979 2.121 1.00 0.00 O ATOM 0 H GLU A 64 -1.184 -10.653 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.428 -9.931 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.572 -11.824 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.237 -12.283 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.907 -13.613 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.792 -12.286 -0.139 1.00 0.00 H new ATOM 1052 N MET A 65 -4.877 -8.921 -0.693 1.00 0.00 N ATOM 1053 CA MET A 65 -5.653 -8.211 0.293 1.00 0.00 C ATOM 1054 C MET A 65 -6.623 -9.192 0.920 1.00 0.00 C ATOM 1055 O MET A 65 -7.496 -9.727 0.237 1.00 0.00 O ATOM 1056 CB MET A 65 -6.398 -7.042 -0.346 1.00 0.00 C ATOM 1057 CG MET A 65 -6.338 -5.770 0.484 1.00 0.00 C ATOM 1058 SD MET A 65 -7.059 -5.965 2.123 1.00 0.00 S ATOM 1059 CE MET A 65 -6.695 -4.355 2.824 1.00 0.00 C ATOM 0 H MET A 65 -5.304 -8.967 -1.618 1.00 0.00 H new ATOM 0 HA MET A 65 -4.998 -7.795 1.058 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.976 -6.846 -1.332 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.441 -7.322 -0.496 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.299 -5.457 0.585 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.861 -4.973 -0.044 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.211 -4.248 3.778 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.620 -4.261 2.980 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.032 -3.576 2.140 1.00 0.00 H new ATOM 1069 N THR A 66 -6.450 -9.449 2.207 1.00 0.00 N ATOM 1070 CA THR A 66 -7.243 -10.451 2.899 1.00 0.00 C ATOM 1071 C THR A 66 -8.722 -10.101 2.915 1.00 0.00 C ATOM 1072 O THR A 66 -9.560 -10.953 3.189 1.00 0.00 O ATOM 1073 CB THR A 66 -6.739 -10.665 4.337 1.00 0.00 C ATOM 1074 OG1 THR A 66 -6.530 -9.400 4.982 1.00 0.00 O ATOM 1075 CG2 THR A 66 -5.445 -11.463 4.342 1.00 0.00 C ATOM 0 H THR A 66 -5.764 -8.975 2.795 1.00 0.00 H new ATOM 0 HA THR A 66 -7.124 -11.380 2.341 1.00 0.00 H new ATOM 0 HB THR A 66 -7.497 -11.226 4.883 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.211 -9.548 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.107 -11.602 5.369 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.616 -12.436 3.881 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.683 -10.924 3.779 1.00 0.00 H new ATOM 1083 N ASN A 67 -9.030 -8.842 2.620 1.00 0.00 N ATOM 1084 CA ASN A 67 -10.414 -8.390 2.471 1.00 0.00 C ATOM 1085 C ASN A 67 -11.200 -8.437 3.785 1.00 0.00 C ATOM 1086 O ASN A 67 -12.413 -8.239 3.788 1.00 0.00 O ATOM 1087 CB ASN A 67 -11.152 -9.217 1.405 1.00 0.00 C ATOM 1088 CG ASN A 67 -11.004 -8.660 0.002 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -11.842 -7.884 -0.461 1.00 0.00 O ATOM 1090 ND2 ASN A 67 -9.940 -9.036 -0.688 1.00 0.00 N ATOM 0 H ASN A 67 -8.335 -8.109 2.478 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.358 -7.348 2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.775 -10.240 1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.211 -9.263 1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.794 -8.682 -1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.266 -9.680 -0.275 1.00 0.00 H new ATOM 1097 N TYR A 68 -10.518 -8.684 4.898 1.00 0.00 N ATOM 1098 CA TYR A 68 -11.191 -8.768 6.194 1.00 0.00 C ATOM 1099 C TYR A 68 -10.593 -7.766 7.176 1.00 0.00 C ATOM 1100 O TYR A 68 -10.759 -7.890 8.390 1.00 0.00 O ATOM 1101 CB TYR A 68 -11.084 -10.188 6.765 1.00 0.00 C ATOM 1102 CG TYR A 68 -11.606 -11.264 5.838 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -12.871 -11.170 5.269 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -10.826 -12.367 5.520 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -13.344 -12.147 4.415 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -11.290 -13.347 4.664 1.00 0.00 C ATOM 1107 CZ TYR A 68 -12.548 -13.232 4.114 1.00 0.00 C ATOM 1108 OH TYR A 68 -13.013 -14.207 3.259 1.00 0.00 O ATOM 0 H TYR A 68 -9.509 -8.829 4.932 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.244 -8.527 6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.040 -10.398 6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.635 -10.233 7.705 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.494 -10.319 5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.839 -12.461 5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.331 -12.062 3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.670 -14.199 4.427 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.329 -14.901 3.151 1.00 0.00 H new ATOM 1118 N SER A 69 -9.920 -6.758 6.637 1.00 0.00 N ATOM 1119 CA SER A 69 -9.238 -5.756 7.452 1.00 0.00 C ATOM 1120 C SER A 69 -10.229 -4.839 8.173 1.00 0.00 C ATOM 1121 O SER A 69 -9.868 -4.161 9.135 1.00 0.00 O ATOM 1122 CB SER A 69 -8.314 -4.922 6.568 1.00 0.00 C ATOM 1123 OG SER A 69 -7.455 -5.756 5.808 1.00 0.00 O ATOM 0 H SER A 69 -9.830 -6.610 5.632 1.00 0.00 H new ATOM 0 HA SER A 69 -8.657 -6.280 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.908 -4.299 5.899 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.721 -4.249 7.187 1.00 0.00 H new ATOM 0 HG SER A 69 -6.537 -5.667 6.138 1.00 0.00 H new ATOM 1129 N THR A 70 -11.474 -4.824 7.693 1.00 0.00 N ATOM 1130 CA THR A 70 -12.536 -3.984 8.262 1.00 0.00 C ATOM 1131 C THR A 70 -12.325 -2.512 7.873 1.00 0.00 C ATOM 1132 O THR A 70 -13.058 -1.619 8.301 1.00 0.00 O ATOM 1133 CB THR A 70 -12.619 -4.142 9.802 1.00 0.00 C ATOM 1134 OG1 THR A 70 -12.568 -5.536 10.143 1.00 0.00 O ATOM 1135 CG2 THR A 70 -13.906 -3.547 10.362 1.00 0.00 C ATOM 0 H THR A 70 -11.776 -5.391 6.901 1.00 0.00 H new ATOM 0 HA THR A 70 -13.487 -4.318 7.846 1.00 0.00 H new ATOM 0 HB THR A 70 -11.775 -3.607 10.236 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.619 -5.637 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.927 -3.678 11.444 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.949 -2.484 10.124 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.764 -4.053 9.919 1.00 0.00 H new ATOM 1143 N SER A 71 -11.326 -2.278 7.034 1.00 0.00 N ATOM 1144 CA SER A 71 -11.057 -0.955 6.503 1.00 0.00 C ATOM 1145 C SER A 71 -11.836 -0.758 5.195 1.00 0.00 C ATOM 1146 O SER A 71 -12.607 -1.633 4.796 1.00 0.00 O ATOM 1147 CB SER A 71 -9.549 -0.801 6.283 1.00 0.00 C ATOM 1148 OG SER A 71 -9.034 -1.870 5.505 1.00 0.00 O ATOM 0 H SER A 71 -10.683 -2.998 6.705 1.00 0.00 H new ATOM 0 HA SER A 71 -11.383 -0.190 7.208 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.346 0.147 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.039 -0.770 7.246 1.00 0.00 H new ATOM 0 HG SER A 71 -8.079 -1.982 5.695 1.00 0.00 H new ATOM 1303 N SER A 82 -9.024 11.818 3.810 1.00 0.00 N ATOM 1304 CA SER A 82 -9.556 10.623 4.425 1.00 0.00 C ATOM 1305 C SER A 82 -8.488 9.547 4.551 1.00 0.00 C ATOM 1306 O SER A 82 -8.260 8.778 3.621 1.00 0.00 O ATOM 1307 CB SER A 82 -10.744 10.093 3.612 1.00 0.00 C ATOM 1308 OG SER A 82 -11.860 10.962 3.713 1.00 0.00 O ATOM 0 HA SER A 82 -9.896 10.883 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.455 9.987 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.019 9.100 3.969 1.00 0.00 H new ATOM 0 HG SER A 82 -11.548 11.885 3.821 1.00 0.00 H new ATOM 1314 N GLU A 83 -7.818 9.520 5.693 1.00 0.00 N ATOM 1315 CA GLU A 83 -6.797 8.521 5.957 1.00 0.00 C ATOM 1316 C GLU A 83 -7.419 7.129 6.058 1.00 0.00 C ATOM 1317 O GLU A 83 -8.182 6.836 6.979 1.00 0.00 O ATOM 1318 CB GLU A 83 -6.026 8.873 7.233 1.00 0.00 C ATOM 1319 CG GLU A 83 -6.907 9.143 8.444 1.00 0.00 C ATOM 1320 CD GLU A 83 -6.102 9.513 9.671 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -5.760 10.701 9.822 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -5.807 8.619 10.489 1.00 0.00 O ATOM 0 H GLU A 83 -7.965 10.183 6.454 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.093 8.513 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.345 8.055 7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.413 9.753 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.602 9.950 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.506 8.258 8.659 1.00 0.00 H new ATOM 1329 N PHE A 84 -7.115 6.290 5.084 1.00 0.00 N ATOM 1330 CA PHE A 84 -7.667 4.948 5.031 1.00 0.00 C ATOM 1331 C PHE A 84 -6.581 3.884 5.050 1.00 0.00 C ATOM 1332 O PHE A 84 -5.398 4.182 4.888 1.00 0.00 O ATOM 1333 CB PHE A 84 -8.537 4.788 3.794 1.00 0.00 C ATOM 1334 CG PHE A 84 -9.968 5.174 4.038 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -10.833 4.298 4.673 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -10.447 6.412 3.639 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -12.150 4.647 4.905 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -11.762 6.766 3.868 1.00 0.00 C ATOM 1339 CZ PHE A 84 -12.614 5.882 4.502 1.00 0.00 C ATOM 0 H PHE A 84 -6.485 6.516 4.314 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.277 4.809 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.132 5.400 2.988 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -8.497 3.752 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.474 3.330 4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.785 7.107 3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.814 3.955 5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -12.124 7.733 3.552 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.643 6.158 4.682 1.00 0.00 H new ATOM 1349 N TYR A 85 -7.005 2.643 5.234 1.00 0.00 N ATOM 1350 CA TYR A 85 -6.087 1.522 5.358 1.00 0.00 C ATOM 1351 C TYR A 85 -6.033 0.709 4.089 1.00 0.00 C ATOM 1352 O TYR A 85 -7.058 0.238 3.603 1.00 0.00 O ATOM 1353 CB TYR A 85 -6.518 0.573 6.467 1.00 0.00 C ATOM 1354 CG TYR A 85 -6.393 1.109 7.860 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -5.193 1.022 8.546 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -7.482 1.671 8.501 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -5.077 1.486 9.834 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -7.384 2.139 9.789 1.00 0.00 C ATOM 1359 CZ TYR A 85 -6.177 2.046 10.459 1.00 0.00 C ATOM 1360 OH TYR A 85 -6.065 2.513 11.751 1.00 0.00 O ATOM 0 H TYR A 85 -7.990 2.386 5.301 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.112 1.957 5.578 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.557 0.291 6.297 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.925 -0.338 6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -4.334 0.582 8.061 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.425 1.743 7.980 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.134 1.414 10.355 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.243 2.577 10.275 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.927 2.877 12.043 1.00 0.00 H new ATOM 1370 N ILE A 86 -4.843 0.549 3.558 1.00 0.00 N ATOM 1371 CA ILE A 86 -4.595 -0.495 2.594 1.00 0.00 C ATOM 1372 C ILE A 86 -3.449 -1.342 3.117 1.00 0.00 C ATOM 1373 O ILE A 86 -2.286 -1.124 2.767 1.00 0.00 O ATOM 1374 CB ILE A 86 -4.254 0.043 1.186 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -5.308 1.051 0.716 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -4.150 -1.109 0.192 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -6.679 0.447 0.508 1.00 0.00 C ATOM 0 H ILE A 86 -4.033 1.128 3.778 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.508 -1.079 2.478 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.292 0.553 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.382 1.854 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.974 1.503 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.909 -0.716 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.365 -1.795 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.101 -1.640 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.371 1.221 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.621 -0.336 -0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.035 0.020 1.446 1.00 0.00 H new ATOM 1389 N GLU A 87 -3.769 -2.245 4.036 1.00 0.00 N ATOM 1390 CA GLU A 87 -2.763 -3.115 4.609 1.00 0.00 C ATOM 1391 C GLU A 87 -2.739 -4.451 3.884 1.00 0.00 C ATOM 1392 O GLU A 87 -3.650 -5.270 4.001 1.00 0.00 O ATOM 1393 CB GLU A 87 -2.964 -3.302 6.123 1.00 0.00 C ATOM 1394 CG GLU A 87 -4.306 -3.885 6.528 1.00 0.00 C ATOM 1395 CD GLU A 87 -5.371 -2.828 6.701 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -5.464 -2.267 7.814 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -6.112 -2.557 5.730 1.00 0.00 O ATOM 0 H GLU A 87 -4.713 -2.390 4.395 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.793 -2.636 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.174 -3.951 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.843 -2.335 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.630 -4.601 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.192 -4.436 7.461 1.00 0.00 H new ATOM 1404 N ILE A 88 -1.692 -4.650 3.110 1.00 0.00 N ATOM 1405 CA ILE A 88 -1.553 -5.851 2.313 1.00 0.00 C ATOM 1406 C ILE A 88 -0.638 -6.842 3.008 1.00 0.00 C ATOM 1407 O ILE A 88 0.508 -6.525 3.326 1.00 0.00 O ATOM 1408 CB ILE A 88 -0.984 -5.519 0.927 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -1.783 -4.379 0.301 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -1.005 -6.750 0.030 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -1.175 -3.854 -0.972 1.00 0.00 C ATOM 0 H ILE A 88 -0.920 -3.990 3.016 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.542 -6.293 2.194 1.00 0.00 H new ATOM 0 HB ILE A 88 0.053 -5.202 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.796 -4.725 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.864 -3.564 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.598 -6.494 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.401 -7.538 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.031 -7.099 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.793 -3.046 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.172 -3.478 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.119 -4.657 -1.707 1.00 0.00 H new ATOM 1423 N THR A 89 -1.154 -8.028 3.254 1.00 0.00 N ATOM 1424 CA THR A 89 -0.407 -9.058 3.941 1.00 0.00 C ATOM 1425 C THR A 89 0.518 -9.807 2.990 1.00 0.00 C ATOM 1426 O THR A 89 0.214 -9.959 1.804 1.00 0.00 O ATOM 1427 CB THR A 89 -1.369 -10.044 4.620 1.00 0.00 C ATOM 1428 OG1 THR A 89 -2.639 -10.025 3.946 1.00 0.00 O ATOM 1429 CG2 THR A 89 -1.563 -9.688 6.085 1.00 0.00 C ATOM 0 H THR A 89 -2.098 -8.303 2.985 1.00 0.00 H new ATOM 0 HA THR A 89 0.210 -8.573 4.698 1.00 0.00 H new ATOM 0 HB THR A 89 -0.937 -11.043 4.561 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.573 -10.532 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.248 -10.400 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.602 -9.725 6.599 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.978 -8.683 6.163 1.00 0.00 H new ATOM 1437 N GLU A 90 1.671 -10.223 3.509 1.00 0.00 N ATOM 1438 CA GLU A 90 2.586 -11.081 2.772 1.00 0.00 C ATOM 1439 C GLU A 90 1.844 -12.319 2.282 1.00 0.00 C ATOM 1440 O GLU A 90 1.421 -13.158 3.078 1.00 0.00 O ATOM 1441 CB GLU A 90 3.771 -11.467 3.665 1.00 0.00 C ATOM 1442 CG GLU A 90 4.860 -12.258 2.960 1.00 0.00 C ATOM 1443 CD GLU A 90 6.105 -12.405 3.811 1.00 0.00 C ATOM 1444 OE1 GLU A 90 6.016 -12.996 4.907 1.00 0.00 O ATOM 1445 OE2 GLU A 90 7.178 -11.914 3.397 1.00 0.00 O ATOM 0 H GLU A 90 1.992 -9.975 4.445 1.00 0.00 H new ATOM 0 HA GLU A 90 2.973 -10.545 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.209 -10.559 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.400 -12.053 4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.480 -13.246 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.118 -11.762 2.024 1.00 0.00 H new ATOM 1452 N ILE A 91 1.680 -12.398 0.968 1.00 0.00 N ATOM 1453 CA ILE A 91 0.844 -13.409 0.335 1.00 0.00 C ATOM 1454 C ILE A 91 1.249 -14.834 0.714 1.00 0.00 C ATOM 1455 O ILE A 91 2.431 -15.190 0.702 1.00 0.00 O ATOM 1456 CB ILE A 91 0.868 -13.253 -1.205 1.00 0.00 C ATOM 1457 CG1 ILE A 91 0.024 -14.343 -1.873 1.00 0.00 C ATOM 1458 CG2 ILE A 91 2.301 -13.283 -1.726 1.00 0.00 C ATOM 1459 CD1 ILE A 91 0.006 -14.264 -3.384 1.00 0.00 C ATOM 0 H ILE A 91 2.125 -11.760 0.309 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.168 -13.247 0.705 1.00 0.00 H new ATOM 0 HB ILE A 91 0.434 -12.286 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.406 -15.319 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.999 -14.275 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.296 -13.172 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.868 -12.466 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.765 -14.233 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.612 -15.068 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.405 -13.303 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.022 -14.364 -3.766 1.00 0.00 H new ATOM 1471 N ASP A 92 0.254 -15.638 1.071 1.00 0.00 N ATOM 1472 CA ASP A 92 0.458 -17.064 1.292 1.00 0.00 C ATOM 1473 C ASP A 92 -0.193 -17.857 0.172 1.00 0.00 C ATOM 1474 O ASP A 92 -0.977 -17.325 -0.614 1.00 0.00 O ATOM 1475 CB ASP A 92 -0.144 -17.537 2.622 1.00 0.00 C ATOM 1476 CG ASP A 92 0.551 -16.983 3.847 1.00 0.00 C ATOM 1477 OD1 ASP A 92 1.796 -16.939 3.868 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -0.154 -16.624 4.814 1.00 0.00 O ATOM 0 H ASP A 92 -0.706 -15.324 1.214 1.00 0.00 H new ATOM 0 HA ASP A 92 1.535 -17.230 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.196 -17.252 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.108 -18.626 2.658 1.00 0.00 H new