USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 900 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 75 GLN : amide:sc= -0.256 X(o=-0.49,f=-0.047) USER MOD Set 1.2: A 93 ASN : amide:sc= -0.234 X(o=-0.49,f=-0.16) USER MOD Set 2.1: A 33 GLN : amide:sc= -4.48! C(o=-8.5!,f=-9.5!) USER MOD Set 2.2: A 36 ASN : amide:sc= -4.05 X(o=-8.5,f=-8.5!) USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 52:sc= 0.141 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= 0.101 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 18 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0.035) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.474 (180deg=0.422) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.021) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 44 THR OG1 : rot 157:sc= -0.486 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0713) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc=-0.00226 K(o=-0.0023,f=-0.62) USER MOD Single : A 61 MET CE :methyl -165:sc= -0.0213 (180deg=-0.285) USER MOD Single : A 63 THR OG1 : rot -150:sc= 0.0504 USER MOD Single : A 65 MET CE :methyl -177:sc= 0 (180deg=-0.0088) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.632 F(o=-1.2,f=-0.63) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0449 X(o=-0.045,f=-0.35) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 175:sc= -3.5! (180deg=-4.01!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -4.54! C(o=-4.5!,f=-4.2!) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 54:sc= 0.357 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0211 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.665 13.831 -8.744 1.00 0.00 N ATOM 2 CA GLY A 1 15.940 12.858 -9.838 1.00 0.00 C ATOM 3 C GLY A 1 15.010 11.661 -9.795 1.00 0.00 C ATOM 4 O GLY A 1 14.295 11.387 -10.759 1.00 0.00 O ATOM 0 H1 GLY A 1 16.326 14.631 -8.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.689 14.180 -8.827 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.788 13.362 -7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.838 13.359 -10.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.972 12.515 -9.765 1.00 0.00 H new ATOM 10 N SER A 2 15.023 10.945 -8.675 1.00 0.00 N ATOM 11 CA SER A 2 14.175 9.770 -8.512 1.00 0.00 C ATOM 12 C SER A 2 14.022 9.410 -7.037 1.00 0.00 C ATOM 13 O SER A 2 13.962 8.234 -6.677 1.00 0.00 O ATOM 14 CB SER A 2 14.760 8.583 -9.279 1.00 0.00 C ATOM 15 OG SER A 2 13.734 7.798 -9.863 1.00 0.00 O ATOM 0 H SER A 2 15.610 11.158 -7.869 1.00 0.00 H new ATOM 0 HA SER A 2 13.190 10.005 -8.915 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.433 8.944 -10.057 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.354 7.967 -8.604 1.00 0.00 H new ATOM 0 HG SER A 2 14.134 7.047 -10.349 1.00 0.00 H new ATOM 21 N SER A 3 13.958 10.431 -6.189 1.00 0.00 N ATOM 22 CA SER A 3 13.811 10.224 -4.752 1.00 0.00 C ATOM 23 C SER A 3 12.817 11.216 -4.157 1.00 0.00 C ATOM 24 O SER A 3 13.208 12.231 -3.580 1.00 0.00 O ATOM 25 CB SER A 3 15.167 10.361 -4.055 1.00 0.00 C ATOM 26 OG SER A 3 15.984 9.230 -4.300 1.00 0.00 O ATOM 0 H SER A 3 14.006 11.410 -6.471 1.00 0.00 H new ATOM 0 HA SER A 3 13.428 9.216 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.671 11.261 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.017 10.479 -2.982 1.00 0.00 H new ATOM 0 HG SER A 3 16.845 9.343 -3.845 1.00 0.00 H new ATOM 32 N GLY A 4 11.530 10.916 -4.302 1.00 0.00 N ATOM 33 CA GLY A 4 10.501 11.791 -3.774 1.00 0.00 C ATOM 34 C GLY A 4 10.490 11.827 -2.258 1.00 0.00 C ATOM 35 O GLY A 4 10.444 10.784 -1.606 1.00 0.00 O ATOM 0 H GLY A 4 11.182 10.082 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.655 12.800 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.527 11.459 -4.133 1.00 0.00 H new ATOM 39 N SER A 5 10.537 13.031 -1.696 1.00 0.00 N ATOM 40 CA SER A 5 10.533 13.199 -0.247 1.00 0.00 C ATOM 41 C SER A 5 9.283 13.943 0.212 1.00 0.00 C ATOM 42 O SER A 5 9.317 14.690 1.189 1.00 0.00 O ATOM 43 CB SER A 5 11.785 13.958 0.201 1.00 0.00 C ATOM 44 OG SER A 5 12.034 15.073 -0.637 1.00 0.00 O ATOM 0 H SER A 5 10.578 13.904 -2.222 1.00 0.00 H new ATOM 0 HA SER A 5 10.532 12.209 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.661 14.294 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.645 13.288 0.185 1.00 0.00 H new ATOM 0 HG SER A 5 12.838 15.541 -0.328 1.00 0.00 H new ATOM 50 N SER A 6 8.180 13.731 -0.499 1.00 0.00 N ATOM 51 CA SER A 6 6.918 14.381 -0.163 1.00 0.00 C ATOM 52 C SER A 6 6.281 13.734 1.062 1.00 0.00 C ATOM 53 O SER A 6 5.356 12.932 0.943 1.00 0.00 O ATOM 54 CB SER A 6 5.956 14.313 -1.349 1.00 0.00 C ATOM 55 OG SER A 6 5.890 13.002 -1.880 1.00 0.00 O ATOM 0 H SER A 6 8.134 13.115 -1.311 1.00 0.00 H new ATOM 0 HA SER A 6 7.126 15.426 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.962 14.631 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.281 15.006 -2.125 1.00 0.00 H new ATOM 0 HG SER A 6 5.694 12.367 -1.160 1.00 0.00 H new ATOM 61 N GLY A 7 6.784 14.088 2.241 1.00 0.00 N ATOM 62 CA GLY A 7 6.251 13.533 3.472 1.00 0.00 C ATOM 63 C GLY A 7 7.076 12.371 3.989 1.00 0.00 C ATOM 64 O GLY A 7 8.305 12.437 4.016 1.00 0.00 O ATOM 0 H GLY A 7 7.551 14.749 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.212 14.313 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.227 13.201 3.304 1.00 0.00 H new ATOM 68 N ILE A 8 6.399 11.304 4.402 1.00 0.00 N ATOM 69 CA ILE A 8 7.076 10.123 4.922 1.00 0.00 C ATOM 70 C ILE A 8 6.424 8.844 4.407 1.00 0.00 C ATOM 71 O ILE A 8 5.268 8.852 3.984 1.00 0.00 O ATOM 72 CB ILE A 8 7.072 10.103 6.462 1.00 0.00 C ATOM 73 CG1 ILE A 8 5.647 10.268 6.994 1.00 0.00 C ATOM 74 CG2 ILE A 8 7.978 11.196 7.008 1.00 0.00 C ATOM 75 CD1 ILE A 8 5.322 9.341 8.146 1.00 0.00 C ATOM 0 H ILE A 8 5.382 11.234 4.386 1.00 0.00 H new ATOM 0 HA ILE A 8 8.107 10.170 4.570 1.00 0.00 H new ATOM 0 HB ILE A 8 7.454 9.139 6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.505 11.299 7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.942 10.088 6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.965 11.169 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.996 11.035 6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.623 12.168 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.296 9.512 8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.432 8.306 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.004 9.536 8.974 1.00 0.00 H new ATOM 87 N SER A 9 7.173 7.746 4.447 1.00 0.00 N ATOM 88 CA SER A 9 6.667 6.459 3.983 1.00 0.00 C ATOM 89 C SER A 9 7.099 5.336 4.920 1.00 0.00 C ATOM 90 O SER A 9 7.925 5.539 5.810 1.00 0.00 O ATOM 91 CB SER A 9 7.163 6.173 2.565 1.00 0.00 C ATOM 92 OG SER A 9 8.489 5.677 2.577 1.00 0.00 O ATOM 0 H SER A 9 8.131 7.722 4.796 1.00 0.00 H new ATOM 0 HA SER A 9 5.578 6.506 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.505 5.448 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.119 7.085 1.970 1.00 0.00 H new ATOM 0 HG SER A 9 8.781 5.501 1.658 1.00 0.00 H new ATOM 98 N LEU A 10 6.535 4.150 4.714 1.00 0.00 N ATOM 99 CA LEU A 10 6.861 2.994 5.541 1.00 0.00 C ATOM 100 C LEU A 10 8.029 2.213 4.946 1.00 0.00 C ATOM 101 O LEU A 10 8.308 2.308 3.751 1.00 0.00 O ATOM 102 CB LEU A 10 5.641 2.081 5.683 1.00 0.00 C ATOM 103 CG LEU A 10 4.749 2.377 6.890 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.471 1.557 6.822 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.497 2.096 8.184 1.00 0.00 C ATOM 0 H LEU A 10 5.850 3.965 3.981 1.00 0.00 H new ATOM 0 HA LEU A 10 7.152 3.354 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.039 2.160 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.984 1.049 5.748 1.00 0.00 H new ATOM 0 HG LEU A 10 4.480 3.433 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.849 1.780 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.927 1.806 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.719 0.496 6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.849 2.312 9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.795 1.048 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.384 2.727 8.236 1.00 0.00 H new ATOM 117 N LYS A 11 8.707 1.441 5.789 1.00 0.00 N ATOM 118 CA LYS A 11 9.845 0.642 5.348 1.00 0.00 C ATOM 119 C LYS A 11 9.901 -0.685 6.098 1.00 0.00 C ATOM 120 O LYS A 11 10.231 -0.725 7.284 1.00 0.00 O ATOM 121 CB LYS A 11 11.149 1.418 5.554 1.00 0.00 C ATOM 122 CG LYS A 11 11.919 1.665 4.267 1.00 0.00 C ATOM 123 CD LYS A 11 11.198 2.659 3.370 1.00 0.00 C ATOM 124 CE LYS A 11 12.175 3.591 2.673 1.00 0.00 C ATOM 125 NZ LYS A 11 11.634 4.973 2.550 1.00 0.00 N ATOM 0 H LYS A 11 8.488 1.352 6.781 1.00 0.00 H new ATOM 0 HA LYS A 11 9.721 0.431 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.922 2.376 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.784 0.867 6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.914 2.042 4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.053 0.723 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.613 2.120 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.496 3.244 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.112 3.616 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.404 3.201 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.941 5.387 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.595 4.943 2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.988 5.556 3.335 1.00 0.00 H new ATOM 139 N TYR A 12 9.576 -1.768 5.401 1.00 0.00 N ATOM 140 CA TYR A 12 9.589 -3.096 6.004 1.00 0.00 C ATOM 141 C TYR A 12 10.078 -4.142 5.006 1.00 0.00 C ATOM 142 O TYR A 12 9.530 -4.277 3.913 1.00 0.00 O ATOM 143 CB TYR A 12 8.191 -3.465 6.504 1.00 0.00 C ATOM 144 CG TYR A 12 7.865 -2.891 7.865 1.00 0.00 C ATOM 145 CD1 TYR A 12 8.694 -3.126 8.955 1.00 0.00 C ATOM 146 CD2 TYR A 12 6.731 -2.115 8.059 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.401 -2.604 10.200 1.00 0.00 C ATOM 148 CE2 TYR A 12 6.431 -1.587 9.301 1.00 0.00 C ATOM 149 CZ TYR A 12 7.268 -1.836 10.368 1.00 0.00 C ATOM 150 OH TYR A 12 6.973 -1.314 11.605 1.00 0.00 O ATOM 0 H TYR A 12 9.301 -1.753 4.419 1.00 0.00 H new ATOM 0 HA TYR A 12 10.277 -3.078 6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.452 -3.114 5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.104 -4.551 6.546 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.582 -3.727 8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.072 -1.920 7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.056 -2.796 11.037 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.546 -0.983 9.435 1.00 0.00 H new ATOM 0 HH TYR A 12 6.142 -0.797 11.552 1.00 0.00 H new ATOM 160 N THR A 13 11.114 -4.880 5.393 1.00 0.00 N ATOM 161 CA THR A 13 11.678 -5.914 4.534 1.00 0.00 C ATOM 162 C THR A 13 10.710 -7.083 4.380 1.00 0.00 C ATOM 163 O THR A 13 9.757 -7.219 5.148 1.00 0.00 O ATOM 164 CB THR A 13 13.006 -6.412 5.107 1.00 0.00 C ATOM 165 OG1 THR A 13 12.803 -7.077 6.341 1.00 0.00 O ATOM 166 CG2 THR A 13 14.008 -5.302 5.344 1.00 0.00 C ATOM 0 H THR A 13 11.579 -4.781 6.295 1.00 0.00 H new ATOM 0 HA THR A 13 11.853 -5.478 3.550 1.00 0.00 H new ATOM 0 HB THR A 13 13.409 -7.090 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.664 -7.389 6.690 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.928 -5.723 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.225 -4.800 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.594 -4.583 6.051 1.00 0.00 H new ATOM 174 N ALA A 14 10.960 -7.924 3.380 1.00 0.00 N ATOM 175 CA ALA A 14 10.111 -9.081 3.125 1.00 0.00 C ATOM 176 C ALA A 14 10.062 -10.004 4.337 1.00 0.00 C ATOM 177 O ALA A 14 9.037 -10.627 4.614 1.00 0.00 O ATOM 178 CB ALA A 14 10.607 -9.838 1.901 1.00 0.00 C ATOM 0 H ALA A 14 11.743 -7.825 2.734 1.00 0.00 H new ATOM 0 HA ALA A 14 9.099 -8.724 2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.964 -10.700 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.583 -9.180 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.629 -10.177 2.072 1.00 0.00 H new ATOM 184 N ALA A 15 11.176 -10.087 5.055 1.00 0.00 N ATOM 185 CA ALA A 15 11.261 -10.934 6.240 1.00 0.00 C ATOM 186 C ALA A 15 10.408 -10.378 7.373 1.00 0.00 C ATOM 187 O ALA A 15 9.722 -11.125 8.072 1.00 0.00 O ATOM 188 CB ALA A 15 12.709 -11.073 6.685 1.00 0.00 C ATOM 0 H ALA A 15 12.033 -9.578 4.838 1.00 0.00 H new ATOM 0 HA ALA A 15 10.876 -11.920 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.758 -11.707 7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.295 -11.523 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.113 -10.089 6.921 1.00 0.00 H new ATOM 194 N ARG A 16 10.454 -9.062 7.551 1.00 0.00 N ATOM 195 CA ARG A 16 9.684 -8.405 8.601 1.00 0.00 C ATOM 196 C ARG A 16 8.190 -8.648 8.414 1.00 0.00 C ATOM 197 O ARG A 16 7.442 -8.757 9.385 1.00 0.00 O ATOM 198 CB ARG A 16 9.972 -6.903 8.610 1.00 0.00 C ATOM 199 CG ARG A 16 11.104 -6.506 9.545 1.00 0.00 C ATOM 200 CD ARG A 16 10.579 -6.087 10.908 1.00 0.00 C ATOM 201 NE ARG A 16 11.607 -6.177 11.942 1.00 0.00 N ATOM 202 CZ ARG A 16 11.971 -7.315 12.528 1.00 0.00 C ATOM 203 NH1 ARG A 16 11.394 -8.460 12.186 1.00 0.00 N ATOM 204 NH2 ARG A 16 12.915 -7.307 13.459 1.00 0.00 N ATOM 0 H ARG A 16 11.016 -8.429 6.982 1.00 0.00 H new ATOM 0 HA ARG A 16 9.985 -8.831 9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.219 -6.583 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.067 -6.370 8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.792 -7.343 9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.671 -5.686 9.104 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.207 -5.064 10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.734 -6.719 11.181 1.00 0.00 H new ATOM 0 HE ARG A 16 12.073 -5.317 12.232 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.667 -8.471 11.470 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.677 -9.329 12.639 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.361 -6.429 13.725 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.195 -8.179 13.909 1.00 0.00 H new ATOM 218 N LEU A 17 7.762 -8.731 7.158 1.00 0.00 N ATOM 219 CA LEU A 17 6.357 -8.962 6.844 1.00 0.00 C ATOM 220 C LEU A 17 6.004 -10.439 6.984 1.00 0.00 C ATOM 221 O LEU A 17 4.876 -10.786 7.333 1.00 0.00 O ATOM 222 CB LEU A 17 6.046 -8.484 5.424 1.00 0.00 C ATOM 223 CG LEU A 17 6.416 -7.028 5.135 1.00 0.00 C ATOM 224 CD1 LEU A 17 6.809 -6.856 3.676 1.00 0.00 C ATOM 225 CD2 LEU A 17 5.260 -6.105 5.489 1.00 0.00 C ATOM 0 H LEU A 17 8.368 -8.642 6.342 1.00 0.00 H new ATOM 0 HA LEU A 17 5.754 -8.394 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.574 -9.124 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.980 -8.616 5.238 1.00 0.00 H new ATOM 0 HG LEU A 17 7.272 -6.761 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.069 -5.814 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.668 -7.489 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.973 -7.141 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.540 -5.073 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.386 -6.373 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.024 -6.207 6.548 1.00 0.00 H new ATOM 237 N HIS A 18 6.975 -11.303 6.711 1.00 0.00 N ATOM 238 CA HIS A 18 6.766 -12.743 6.808 1.00 0.00 C ATOM 239 C HIS A 18 6.640 -13.179 8.264 1.00 0.00 C ATOM 240 O HIS A 18 5.899 -14.109 8.583 1.00 0.00 O ATOM 241 CB HIS A 18 7.918 -13.494 6.137 1.00 0.00 C ATOM 242 CG HIS A 18 7.696 -14.972 6.042 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.530 -15.897 6.632 1.00 0.00 N ATOM 244 CD2 HIS A 18 6.726 -15.684 5.422 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.084 -17.114 6.379 1.00 0.00 C ATOM 246 NE2 HIS A 18 6.990 -17.013 5.648 1.00 0.00 N ATOM 0 H HIS A 18 7.914 -11.032 6.421 1.00 0.00 H new ATOM 0 HA HIS A 18 5.836 -12.984 6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.067 -13.092 5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.836 -13.308 6.695 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.899 -15.282 4.855 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.538 -18.035 6.714 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.431 -17.795 5.306 1.00 0.00 H new ATOM 255 N GLU A 19 7.370 -12.502 9.144 1.00 0.00 N ATOM 256 CA GLU A 19 7.340 -12.819 10.566 1.00 0.00 C ATOM 257 C GLU A 19 5.987 -12.464 11.174 1.00 0.00 C ATOM 258 O GLU A 19 5.507 -13.142 12.083 1.00 0.00 O ATOM 259 CB GLU A 19 8.452 -12.068 11.301 1.00 0.00 C ATOM 260 CG GLU A 19 9.851 -12.468 10.859 1.00 0.00 C ATOM 261 CD GLU A 19 10.305 -13.778 11.472 1.00 0.00 C ATOM 262 OE1 GLU A 19 10.562 -13.805 12.694 1.00 0.00 O ATOM 263 OE2 GLU A 19 10.402 -14.778 10.729 1.00 0.00 O ATOM 0 H GLU A 19 7.990 -11.730 8.897 1.00 0.00 H new ATOM 0 HA GLU A 19 7.499 -13.892 10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.322 -10.997 11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.353 -12.246 12.372 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.874 -12.552 9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.553 -11.681 11.133 1.00 0.00 H new ATOM 270 N LYS A 20 5.377 -11.399 10.665 1.00 0.00 N ATOM 271 CA LYS A 20 4.078 -10.954 11.156 1.00 0.00 C ATOM 272 C LYS A 20 2.952 -11.792 10.560 1.00 0.00 C ATOM 273 O LYS A 20 1.911 -11.986 11.187 1.00 0.00 O ATOM 274 CB LYS A 20 3.862 -9.477 10.822 1.00 0.00 C ATOM 275 CG LYS A 20 5.022 -8.584 11.231 1.00 0.00 C ATOM 276 CD LYS A 20 5.050 -7.300 10.416 1.00 0.00 C ATOM 277 CE LYS A 20 6.060 -6.310 10.971 1.00 0.00 C ATOM 278 NZ LYS A 20 6.147 -5.077 10.140 1.00 0.00 N ATOM 0 H LYS A 20 5.761 -10.828 9.912 1.00 0.00 H new ATOM 0 HA LYS A 20 4.065 -11.081 12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.698 -9.376 9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.955 -9.130 11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.940 -8.342 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.961 -9.121 11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.297 -7.531 9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.058 -6.847 10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.782 -6.041 11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.041 -6.783 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.039 -4.583 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.116 -5.334 9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.346 -4.451 10.362 1.00 0.00 H new ATOM 292 N GLY A 21 3.168 -12.287 9.344 1.00 0.00 N ATOM 293 CA GLY A 21 2.160 -13.098 8.685 1.00 0.00 C ATOM 294 C GLY A 21 1.637 -12.461 7.410 1.00 0.00 C ATOM 295 O GLY A 21 1.016 -13.133 6.586 1.00 0.00 O ATOM 0 H GLY A 21 4.021 -12.141 8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.582 -14.076 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.329 -13.265 9.370 1.00 0.00 H new ATOM 299 N VAL A 22 1.886 -11.165 7.246 1.00 0.00 N ATOM 300 CA VAL A 22 1.434 -10.441 6.063 1.00 0.00 C ATOM 301 C VAL A 22 1.922 -11.113 4.782 1.00 0.00 C ATOM 302 O VAL A 22 1.127 -11.644 4.007 1.00 0.00 O ATOM 303 CB VAL A 22 1.919 -8.979 6.079 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.274 -8.188 4.952 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.631 -8.337 7.427 1.00 0.00 C ATOM 0 H VAL A 22 2.399 -10.595 7.918 1.00 0.00 H new ATOM 0 HA VAL A 22 0.344 -10.456 6.083 1.00 0.00 H new ATOM 0 HB VAL A 22 2.998 -8.971 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.629 -7.158 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.539 -8.637 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.191 -8.201 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.980 -7.304 7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.558 -8.356 7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.148 -8.890 8.211 1.00 0.00 H new ATOM 315 N LEU A 23 3.233 -11.086 4.567 1.00 0.00 N ATOM 316 CA LEU A 23 3.825 -11.694 3.381 1.00 0.00 C ATOM 317 C LEU A 23 3.783 -13.216 3.473 1.00 0.00 C ATOM 318 O LEU A 23 4.260 -13.802 4.446 1.00 0.00 O ATOM 319 CB LEU A 23 5.269 -11.221 3.207 1.00 0.00 C ATOM 320 CG LEU A 23 5.773 -11.198 1.763 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.878 -10.322 0.900 1.00 0.00 C ATOM 322 CD2 LEU A 23 7.212 -10.708 1.710 1.00 0.00 C ATOM 0 H LEU A 23 3.905 -10.650 5.198 1.00 0.00 H new ATOM 0 HA LEU A 23 3.242 -11.384 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.359 -10.218 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.921 -11.869 3.793 1.00 0.00 H new ATOM 0 HG LEU A 23 5.741 -12.214 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.252 -10.317 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.862 -10.715 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.879 -9.305 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.555 -10.698 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.269 -9.700 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.845 -11.375 2.296 1.00 0.00 H new ATOM 334 N LEU A 24 3.208 -13.851 2.457 1.00 0.00 N ATOM 335 CA LEU A 24 3.104 -15.305 2.425 1.00 0.00 C ATOM 336 C LEU A 24 4.361 -15.930 1.827 1.00 0.00 C ATOM 337 O LEU A 24 5.144 -16.567 2.532 1.00 0.00 O ATOM 338 CB LEU A 24 1.875 -15.733 1.622 1.00 0.00 C ATOM 339 CG LEU A 24 0.549 -15.147 2.108 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.522 -15.285 1.037 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.108 -15.827 3.396 1.00 0.00 C ATOM 0 H LEU A 24 2.807 -13.381 1.645 1.00 0.00 H new ATOM 0 HA LEU A 24 2.999 -15.658 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.022 -15.446 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.805 -16.820 1.646 1.00 0.00 H new ATOM 0 HG LEU A 24 0.695 -14.086 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.458 -14.862 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.209 -14.753 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.667 -16.339 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.837 -15.398 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.020 -16.895 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.865 -15.676 4.165 1.00 0.00 H new ATOM 353 N GLU A 25 4.548 -15.743 0.524 1.00 0.00 N ATOM 354 CA GLU A 25 5.710 -16.290 -0.168 1.00 0.00 C ATOM 355 C GLU A 25 6.018 -15.490 -1.429 1.00 0.00 C ATOM 356 O GLU A 25 5.326 -14.523 -1.749 1.00 0.00 O ATOM 357 CB GLU A 25 5.471 -17.759 -0.526 1.00 0.00 C ATOM 358 CG GLU A 25 6.018 -18.734 0.503 1.00 0.00 C ATOM 359 CD GLU A 25 5.639 -20.170 0.205 1.00 0.00 C ATOM 360 OE1 GLU A 25 4.465 -20.414 -0.148 1.00 0.00 O ATOM 361 OE2 GLU A 25 6.515 -21.054 0.322 1.00 0.00 O ATOM 0 H GLU A 25 3.910 -15.217 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 25 6.567 -16.221 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.400 -17.927 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.930 -17.968 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.104 -18.649 0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.645 -18.461 1.490 1.00 0.00 H new ATOM 368 N ILE A 26 7.061 -15.901 -2.143 1.00 0.00 N ATOM 369 CA ILE A 26 7.462 -15.224 -3.371 1.00 0.00 C ATOM 370 C ILE A 26 7.799 -16.230 -4.466 1.00 0.00 C ATOM 371 O ILE A 26 8.671 -17.082 -4.294 1.00 0.00 O ATOM 372 CB ILE A 26 8.679 -14.309 -3.138 1.00 0.00 C ATOM 373 CG1 ILE A 26 8.450 -13.419 -1.916 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.949 -13.463 -4.374 1.00 0.00 C ATOM 375 CD1 ILE A 26 9.628 -12.530 -1.586 1.00 0.00 C ATOM 0 H ILE A 26 7.644 -16.700 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 26 6.615 -14.615 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 26 9.553 -14.933 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.573 -12.796 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.228 -14.049 -1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.812 -12.821 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.152 -14.115 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.077 -12.846 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.394 -11.927 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.503 -13.147 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.837 -11.874 -2.431 1.00 0.00 H new ATOM 387 N GLU A 27 7.101 -16.126 -5.593 1.00 0.00 N ATOM 388 CA GLU A 27 7.327 -17.027 -6.718 1.00 0.00 C ATOM 389 C GLU A 27 8.583 -16.634 -7.488 1.00 0.00 C ATOM 390 O GLU A 27 8.519 -16.278 -8.666 1.00 0.00 O ATOM 391 CB GLU A 27 6.115 -17.020 -7.652 1.00 0.00 C ATOM 392 CG GLU A 27 4.891 -17.704 -7.067 1.00 0.00 C ATOM 393 CD GLU A 27 5.142 -19.163 -6.735 1.00 0.00 C ATOM 394 OE1 GLU A 27 5.619 -19.444 -5.617 1.00 0.00 O ATOM 395 OE2 GLU A 27 4.859 -20.023 -7.596 1.00 0.00 O ATOM 0 H GLU A 27 6.375 -15.427 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 27 7.468 -18.034 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.862 -15.989 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.384 -17.513 -8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.582 -17.178 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.066 -17.633 -7.776 1.00 0.00 H new ATOM 402 N ASP A 28 9.728 -16.700 -6.816 1.00 0.00 N ATOM 403 CA ASP A 28 11.002 -16.353 -7.437 1.00 0.00 C ATOM 404 C ASP A 28 12.158 -16.565 -6.464 1.00 0.00 C ATOM 405 O ASP A 28 13.083 -17.328 -6.741 1.00 0.00 O ATOM 406 CB ASP A 28 10.982 -14.900 -7.913 1.00 0.00 C ATOM 407 CG ASP A 28 11.717 -14.711 -9.226 1.00 0.00 C ATOM 408 OD1 ASP A 28 12.560 -15.570 -9.563 1.00 0.00 O ATOM 409 OD2 ASP A 28 11.449 -13.706 -9.918 1.00 0.00 O ATOM 0 H ASP A 28 9.800 -16.991 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 28 11.149 -17.008 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.949 -14.572 -8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.435 -14.265 -7.152 1.00 0.00 H new ATOM 414 N LEU A 29 12.100 -15.883 -5.325 1.00 0.00 N ATOM 415 CA LEU A 29 13.143 -15.996 -4.313 1.00 0.00 C ATOM 416 C LEU A 29 12.699 -16.901 -3.169 1.00 0.00 C ATOM 417 O LEU A 29 11.586 -17.428 -3.177 1.00 0.00 O ATOM 418 CB LEU A 29 13.507 -14.612 -3.771 1.00 0.00 C ATOM 419 CG LEU A 29 13.719 -13.535 -4.837 1.00 0.00 C ATOM 420 CD1 LEU A 29 13.768 -12.156 -4.200 1.00 0.00 C ATOM 421 CD2 LEU A 29 14.992 -13.808 -5.623 1.00 0.00 C ATOM 0 H LEU A 29 11.342 -15.246 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 29 14.021 -16.440 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.717 -14.283 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.417 -14.699 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 29 12.876 -13.563 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.919 -11.403 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.829 -11.961 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.591 -12.114 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.127 -13.033 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.845 -13.808 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.917 -14.780 -6.111 1.00 0.00 H new ATOM 433 N GLN A 30 13.575 -17.078 -2.185 1.00 0.00 N ATOM 434 CA GLN A 30 13.273 -17.921 -1.033 1.00 0.00 C ATOM 435 C GLN A 30 13.109 -17.081 0.229 1.00 0.00 C ATOM 436 O GLN A 30 13.209 -15.855 0.190 1.00 0.00 O ATOM 437 CB GLN A 30 14.380 -18.957 -0.828 1.00 0.00 C ATOM 438 CG GLN A 30 14.335 -20.102 -1.827 1.00 0.00 C ATOM 439 CD GLN A 30 15.359 -19.951 -2.934 1.00 0.00 C ATOM 440 OE1 GLN A 30 16.522 -20.321 -2.773 1.00 0.00 O ATOM 441 NE2 GLN A 30 14.931 -19.406 -4.066 1.00 0.00 N ATOM 0 H GLN A 30 14.500 -16.649 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 30 12.333 -18.437 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.348 -18.461 -0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.304 -19.363 0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.507 -21.043 -1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.338 -20.158 -2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.958 -19.114 -4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.575 -19.279 -4.847 1.00 0.00 H new ATOM 450 N VAL A 31 12.855 -17.750 1.350 1.00 0.00 N ATOM 451 CA VAL A 31 12.675 -17.067 2.625 1.00 0.00 C ATOM 452 C VAL A 31 13.960 -16.369 3.064 1.00 0.00 C ATOM 453 O VAL A 31 13.919 -15.343 3.741 1.00 0.00 O ATOM 454 CB VAL A 31 12.236 -18.047 3.731 1.00 0.00 C ATOM 455 CG1 VAL A 31 11.864 -17.293 4.998 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.076 -18.905 3.251 1.00 0.00 C ATOM 0 H VAL A 31 12.769 -18.765 1.400 1.00 0.00 H new ATOM 0 HA VAL A 31 11.893 -16.323 2.475 1.00 0.00 H new ATOM 0 HB VAL A 31 13.074 -18.705 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.557 -18.002 5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.726 -16.726 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.042 -16.609 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.779 -19.591 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.233 -18.265 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.383 -19.475 2.374 1.00 0.00 H new ATOM 466 N ASN A 32 15.098 -16.933 2.672 1.00 0.00 N ATOM 467 CA ASN A 32 16.393 -16.366 3.025 1.00 0.00 C ATOM 468 C ASN A 32 16.661 -15.082 2.242 1.00 0.00 C ATOM 469 O ASN A 32 17.384 -14.200 2.706 1.00 0.00 O ATOM 470 CB ASN A 32 17.507 -17.380 2.756 1.00 0.00 C ATOM 471 CG ASN A 32 18.867 -16.878 3.201 1.00 0.00 C ATOM 472 OD1 ASN A 32 19.327 -17.186 4.300 1.00 0.00 O ATOM 473 ND2 ASN A 32 19.518 -16.099 2.346 1.00 0.00 N ATOM 0 H ASN A 32 15.149 -17.782 2.110 1.00 0.00 H new ATOM 0 HA ASN A 32 16.376 -16.125 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.279 -18.311 3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.538 -17.607 1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.437 -15.731 2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.099 -15.869 1.445 1.00 0.00 H new ATOM 480 N GLN A 33 16.075 -14.985 1.053 1.00 0.00 N ATOM 481 CA GLN A 33 16.252 -13.811 0.206 1.00 0.00 C ATOM 482 C GLN A 33 15.389 -12.645 0.687 1.00 0.00 C ATOM 483 O GLN A 33 15.649 -11.491 0.347 1.00 0.00 O ATOM 484 CB GLN A 33 15.905 -14.149 -1.245 1.00 0.00 C ATOM 485 CG GLN A 33 16.769 -15.254 -1.833 1.00 0.00 C ATOM 486 CD GLN A 33 16.953 -15.112 -3.332 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.447 -14.094 -3.815 1.00 0.00 O ATOM 488 NE2 GLN A 33 16.553 -16.137 -4.076 1.00 0.00 N ATOM 0 H GLN A 33 15.473 -15.706 0.654 1.00 0.00 H new ATOM 0 HA GLN A 33 17.298 -13.510 0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.858 -14.449 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 33 16.012 -13.252 -1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.745 -15.245 -1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.314 -16.221 -1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.149 -16.962 -3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 33 16.650 -16.099 -5.091 1.00 0.00 H new ATOM 497 N PHE A 34 14.363 -12.951 1.478 1.00 0.00 N ATOM 498 CA PHE A 34 13.465 -11.924 2.001 1.00 0.00 C ATOM 499 C PHE A 34 14.248 -10.770 2.624 1.00 0.00 C ATOM 500 O PHE A 34 13.778 -9.632 2.651 1.00 0.00 O ATOM 501 CB PHE A 34 12.516 -12.529 3.037 1.00 0.00 C ATOM 502 CG PHE A 34 11.287 -13.157 2.439 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.351 -13.825 1.226 1.00 0.00 C ATOM 504 CD2 PHE A 34 10.069 -13.081 3.095 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.222 -14.403 0.677 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.937 -13.658 2.550 1.00 0.00 C ATOM 507 CZ PHE A 34 9.014 -14.320 1.340 1.00 0.00 C ATOM 0 H PHE A 34 14.133 -13.901 1.771 1.00 0.00 H new ATOM 0 HA PHE A 34 12.884 -11.531 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.054 -13.282 3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.211 -11.750 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.294 -13.895 0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.003 -12.566 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.285 -14.919 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.993 -13.591 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.131 -14.772 0.913 1.00 0.00 H new ATOM 517 N LYS A 35 15.443 -11.070 3.121 1.00 0.00 N ATOM 518 CA LYS A 35 16.288 -10.057 3.742 1.00 0.00 C ATOM 519 C LYS A 35 16.763 -9.037 2.712 1.00 0.00 C ATOM 520 O LYS A 35 16.991 -7.871 3.039 1.00 0.00 O ATOM 521 CB LYS A 35 17.493 -10.713 4.420 1.00 0.00 C ATOM 522 CG LYS A 35 17.141 -11.457 5.698 1.00 0.00 C ATOM 523 CD LYS A 35 17.128 -10.526 6.900 1.00 0.00 C ATOM 524 CE LYS A 35 17.726 -11.192 8.128 1.00 0.00 C ATOM 525 NZ LYS A 35 19.178 -10.895 8.270 1.00 0.00 N ATOM 0 H LYS A 35 15.848 -12.006 3.106 1.00 0.00 H new ATOM 0 HA LYS A 35 15.695 -9.537 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.959 -11.408 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.233 -9.946 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.163 -11.926 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.862 -12.257 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.689 -9.621 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.104 -10.220 7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.197 -10.852 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.581 -12.270 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.548 -11.368 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.687 -11.242 7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.315 -9.868 8.358 1.00 0.00 H new ATOM 539 N ASN A 36 16.908 -9.480 1.467 1.00 0.00 N ATOM 540 CA ASN A 36 17.355 -8.603 0.391 1.00 0.00 C ATOM 541 C ASN A 36 16.168 -8.082 -0.413 1.00 0.00 C ATOM 542 O ASN A 36 16.233 -7.976 -1.638 1.00 0.00 O ATOM 543 CB ASN A 36 18.327 -9.343 -0.529 1.00 0.00 C ATOM 544 CG ASN A 36 17.689 -10.543 -1.202 1.00 0.00 C ATOM 545 OD1 ASN A 36 16.659 -10.422 -1.865 1.00 0.00 O ATOM 546 ND2 ASN A 36 18.300 -11.710 -1.033 1.00 0.00 N ATOM 0 H ASN A 36 16.722 -10.441 1.179 1.00 0.00 H new ATOM 0 HA ASN A 36 17.869 -7.752 0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 36 18.695 -8.656 -1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 36 19.191 -9.671 0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.917 -12.553 -1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.152 -11.763 -0.475 1.00 0.00 H new ATOM 553 N VAL A 37 15.084 -7.758 0.284 1.00 0.00 N ATOM 554 CA VAL A 37 13.882 -7.247 -0.363 1.00 0.00 C ATOM 555 C VAL A 37 13.138 -6.278 0.549 1.00 0.00 C ATOM 556 O VAL A 37 12.559 -6.680 1.558 1.00 0.00 O ATOM 557 CB VAL A 37 12.930 -8.390 -0.764 1.00 0.00 C ATOM 558 CG1 VAL A 37 11.784 -7.858 -1.612 1.00 0.00 C ATOM 559 CG2 VAL A 37 13.688 -9.482 -1.502 1.00 0.00 C ATOM 0 H VAL A 37 15.014 -7.841 1.298 1.00 0.00 H new ATOM 0 HA VAL A 37 14.205 -6.722 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 37 12.509 -8.823 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.122 -8.680 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.225 -7.115 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.183 -7.397 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.999 -10.281 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.140 -9.066 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.469 -9.883 -0.856 1.00 0.00 H new ATOM 569 N ILE A 38 13.159 -4.998 0.189 1.00 0.00 N ATOM 570 CA ILE A 38 12.487 -3.972 0.976 1.00 0.00 C ATOM 571 C ILE A 38 11.257 -3.437 0.249 1.00 0.00 C ATOM 572 O ILE A 38 11.241 -3.343 -0.979 1.00 0.00 O ATOM 573 CB ILE A 38 13.437 -2.799 1.296 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.746 -1.785 2.210 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.909 -2.130 0.014 1.00 0.00 C ATOM 576 CD1 ILE A 38 13.706 -0.995 3.072 1.00 0.00 C ATOM 0 H ILE A 38 13.634 -4.648 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 38 12.175 -4.441 1.909 1.00 0.00 H new ATOM 0 HB ILE A 38 14.309 -3.193 1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.166 -1.093 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.040 -2.310 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.578 -1.305 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.439 -2.857 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.048 -1.748 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.146 -0.296 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.269 -1.677 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.396 -0.442 2.435 1.00 0.00 H new ATOM 588 N PHE A 39 10.227 -3.090 1.014 1.00 0.00 N ATOM 589 CA PHE A 39 8.993 -2.565 0.444 1.00 0.00 C ATOM 590 C PHE A 39 8.796 -1.101 0.827 1.00 0.00 C ATOM 591 O PHE A 39 8.954 -0.726 1.990 1.00 0.00 O ATOM 592 CB PHE A 39 7.795 -3.392 0.916 1.00 0.00 C ATOM 593 CG PHE A 39 7.639 -4.693 0.181 1.00 0.00 C ATOM 594 CD1 PHE A 39 6.932 -4.750 -1.009 1.00 0.00 C ATOM 595 CD2 PHE A 39 8.200 -5.857 0.680 1.00 0.00 C ATOM 596 CE1 PHE A 39 6.787 -5.946 -1.687 1.00 0.00 C ATOM 597 CE2 PHE A 39 8.059 -7.055 0.007 1.00 0.00 C ATOM 598 CZ PHE A 39 7.351 -7.099 -1.179 1.00 0.00 C ATOM 0 H PHE A 39 10.223 -3.163 2.031 1.00 0.00 H new ATOM 0 HA PHE A 39 9.067 -2.632 -0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.901 -3.596 1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.886 -2.803 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.489 -3.851 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.754 -5.828 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.233 -5.978 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.501 -7.956 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.239 -8.034 -1.708 1.00 0.00 H new ATOM 608 N GLU A 40 8.453 -0.277 -0.159 1.00 0.00 N ATOM 609 CA GLU A 40 8.238 1.146 0.074 1.00 0.00 C ATOM 610 C GLU A 40 6.776 1.520 -0.150 1.00 0.00 C ATOM 611 O GLU A 40 6.332 1.681 -1.287 1.00 0.00 O ATOM 612 CB GLU A 40 9.134 1.975 -0.846 1.00 0.00 C ATOM 613 CG GLU A 40 9.526 3.323 -0.261 1.00 0.00 C ATOM 614 CD GLU A 40 9.813 4.360 -1.329 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.258 4.235 -2.442 1.00 0.00 O ATOM 616 OE2 GLU A 40 10.591 5.297 -1.053 1.00 0.00 O ATOM 0 H GLU A 40 8.318 -0.571 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 40 8.494 1.361 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.038 1.407 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.619 2.135 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.724 3.683 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.408 3.200 0.367 1.00 0.00 H new ATOM 623 N ILE A 41 6.032 1.660 0.943 1.00 0.00 N ATOM 624 CA ILE A 41 4.623 2.017 0.868 1.00 0.00 C ATOM 625 C ILE A 41 4.393 3.448 1.341 1.00 0.00 C ATOM 626 O ILE A 41 4.391 3.722 2.542 1.00 0.00 O ATOM 627 CB ILE A 41 3.753 1.064 1.712 1.00 0.00 C ATOM 628 CG1 ILE A 41 4.086 -0.394 1.386 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.276 1.342 1.474 1.00 0.00 C ATOM 630 CD1 ILE A 41 4.198 -1.276 2.610 1.00 0.00 C ATOM 0 H ILE A 41 6.384 1.531 1.892 1.00 0.00 H new ATOM 0 HA ILE A 41 4.332 1.930 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 41 3.970 1.238 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.316 -0.796 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.026 -0.429 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.676 0.661 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.050 2.371 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.043 1.194 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.436 -2.295 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.988 -0.899 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.251 -1.271 3.150 1.00 0.00 H new ATOM 642 N SER A 42 4.203 4.358 0.392 1.00 0.00 N ATOM 643 CA SER A 42 3.975 5.762 0.713 1.00 0.00 C ATOM 644 C SER A 42 2.486 6.036 0.928 1.00 0.00 C ATOM 645 O SER A 42 1.650 5.612 0.132 1.00 0.00 O ATOM 646 CB SER A 42 4.514 6.656 -0.404 1.00 0.00 C ATOM 647 OG SER A 42 5.901 6.895 -0.244 1.00 0.00 O ATOM 0 H SER A 42 4.202 4.148 -0.606 1.00 0.00 H new ATOM 0 HA SER A 42 4.506 5.989 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.332 6.185 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.977 7.604 -0.406 1.00 0.00 H new ATOM 0 HG SER A 42 6.220 7.468 -0.972 1.00 0.00 H new ATOM 653 N PRO A 43 2.133 6.753 2.011 1.00 0.00 N ATOM 654 CA PRO A 43 0.738 7.078 2.319 1.00 0.00 C ATOM 655 C PRO A 43 0.189 8.185 1.425 1.00 0.00 C ATOM 656 O PRO A 43 0.809 8.556 0.429 1.00 0.00 O ATOM 657 CB PRO A 43 0.804 7.549 3.772 1.00 0.00 C ATOM 658 CG PRO A 43 2.173 8.117 3.919 1.00 0.00 C ATOM 659 CD PRO A 43 3.064 7.301 3.019 1.00 0.00 C ATOM 0 HA PRO A 43 0.074 6.229 2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.039 8.297 3.982 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.641 6.723 4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.191 9.169 3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.509 8.061 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.838 7.915 2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.571 6.508 3.569 1.00 0.00 H new ATOM 667 N THR A 44 -0.978 8.708 1.788 1.00 0.00 N ATOM 668 CA THR A 44 -1.610 9.773 1.019 1.00 0.00 C ATOM 669 C THR A 44 -2.583 10.566 1.887 1.00 0.00 C ATOM 670 O THR A 44 -2.898 10.166 3.008 1.00 0.00 O ATOM 671 CB THR A 44 -2.346 9.191 -0.188 1.00 0.00 C ATOM 672 OG1 THR A 44 -2.933 7.942 0.135 1.00 0.00 O ATOM 673 CG2 THR A 44 -1.450 8.979 -1.390 1.00 0.00 C ATOM 0 H THR A 44 -1.505 8.411 2.610 1.00 0.00 H new ATOM 0 HA THR A 44 -0.829 10.448 0.669 1.00 0.00 H new ATOM 0 HB THR A 44 -3.105 9.929 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.672 7.759 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.035 8.564 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.020 9.933 -1.696 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.649 8.287 -1.129 1.00 0.00 H new ATOM 681 N GLU A 45 -3.054 11.692 1.361 1.00 0.00 N ATOM 682 CA GLU A 45 -3.990 12.541 2.088 1.00 0.00 C ATOM 683 C GLU A 45 -5.355 11.872 2.203 1.00 0.00 C ATOM 684 O GLU A 45 -5.862 11.657 3.305 1.00 0.00 O ATOM 685 CB GLU A 45 -4.130 13.896 1.392 1.00 0.00 C ATOM 686 CG GLU A 45 -2.931 14.809 1.590 1.00 0.00 C ATOM 687 CD GLU A 45 -3.056 15.674 2.829 1.00 0.00 C ATOM 688 OE1 GLU A 45 -3.546 15.167 3.860 1.00 0.00 O ATOM 689 OE2 GLU A 45 -2.666 16.859 2.767 1.00 0.00 O ATOM 0 H GLU A 45 -2.803 12.037 0.435 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.596 12.696 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.280 13.733 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.023 14.397 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.027 14.205 1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.817 15.449 0.715 1.00 0.00 H new ATOM 696 N GLU A 46 -5.946 11.542 1.059 1.00 0.00 N ATOM 697 CA GLU A 46 -7.253 10.897 1.032 1.00 0.00 C ATOM 698 C GLU A 46 -7.173 9.483 1.600 1.00 0.00 C ATOM 699 O GLU A 46 -6.344 8.679 1.176 1.00 0.00 O ATOM 700 CB GLU A 46 -7.795 10.854 -0.398 1.00 0.00 C ATOM 701 CG GLU A 46 -8.127 12.225 -0.964 1.00 0.00 C ATOM 702 CD GLU A 46 -7.062 12.738 -1.913 1.00 0.00 C ATOM 703 OE1 GLU A 46 -6.782 12.053 -2.919 1.00 0.00 O ATOM 704 OE2 GLU A 46 -6.505 13.825 -1.648 1.00 0.00 O ATOM 0 H GLU A 46 -5.540 11.711 0.139 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.932 11.482 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.059 10.373 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.692 10.234 -0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.082 12.176 -1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.249 12.933 -0.144 1.00 0.00 H new ATOM 711 N VAL A 47 -8.041 9.190 2.563 1.00 0.00 N ATOM 712 CA VAL A 47 -8.068 7.874 3.191 1.00 0.00 C ATOM 713 C VAL A 47 -8.663 6.830 2.250 1.00 0.00 C ATOM 714 O VAL A 47 -9.462 7.156 1.371 1.00 0.00 O ATOM 715 CB VAL A 47 -8.878 7.895 4.503 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.324 8.284 4.237 1.00 0.00 C ATOM 717 CG2 VAL A 47 -8.800 6.546 5.203 1.00 0.00 C ATOM 0 H VAL A 47 -8.734 9.845 2.925 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.036 7.607 3.417 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.442 8.646 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.877 8.292 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.357 9.276 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.776 7.562 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.378 6.581 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.206 5.773 4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.760 6.316 5.434 1.00 0.00 H new ATOM 727 N GLY A 48 -8.268 5.576 2.440 1.00 0.00 N ATOM 728 CA GLY A 48 -8.772 4.505 1.601 1.00 0.00 C ATOM 729 C GLY A 48 -7.828 4.167 0.463 1.00 0.00 C ATOM 730 O GLY A 48 -7.784 3.026 0.003 1.00 0.00 O ATOM 0 H GLY A 48 -7.608 5.282 3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.935 3.616 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.741 4.793 1.192 1.00 0.00 H new ATOM 734 N ASP A 49 -7.073 5.161 0.008 1.00 0.00 N ATOM 735 CA ASP A 49 -6.126 4.962 -1.084 1.00 0.00 C ATOM 736 C ASP A 49 -4.693 4.943 -0.563 1.00 0.00 C ATOM 737 O ASP A 49 -4.288 5.818 0.203 1.00 0.00 O ATOM 738 CB ASP A 49 -6.285 6.066 -2.131 1.00 0.00 C ATOM 739 CG ASP A 49 -6.070 5.557 -3.543 1.00 0.00 C ATOM 740 OD1 ASP A 49 -4.913 5.580 -4.013 1.00 0.00 O ATOM 741 OD2 ASP A 49 -7.059 5.135 -4.179 1.00 0.00 O ATOM 0 H ASP A 49 -7.098 6.111 0.377 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.339 3.998 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.283 6.498 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.574 6.865 -1.923 1.00 0.00 H new ATOM 746 N PHE A 50 -3.928 3.940 -0.984 1.00 0.00 N ATOM 747 CA PHE A 50 -2.539 3.807 -0.559 1.00 0.00 C ATOM 748 C PHE A 50 -1.621 3.605 -1.760 1.00 0.00 C ATOM 749 O PHE A 50 -2.051 3.127 -2.809 1.00 0.00 O ATOM 750 CB PHE A 50 -2.391 2.636 0.414 1.00 0.00 C ATOM 751 CG PHE A 50 -3.439 2.612 1.490 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.667 3.728 2.279 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.197 1.473 1.711 1.00 0.00 C ATOM 754 CE1 PHE A 50 -4.631 3.708 3.268 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.162 1.447 2.700 1.00 0.00 C ATOM 756 CZ PHE A 50 -5.379 2.567 3.480 1.00 0.00 C ATOM 0 H PHE A 50 -4.247 3.208 -1.619 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.249 4.728 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.435 1.702 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.406 2.683 0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.085 4.623 2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.032 0.596 1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.800 4.585 3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.746 0.553 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.132 2.550 4.254 1.00 0.00 H new ATOM 766 N GLU A 51 -0.354 3.972 -1.598 1.00 0.00 N ATOM 767 CA GLU A 51 0.626 3.830 -2.668 1.00 0.00 C ATOM 768 C GLU A 51 1.592 2.688 -2.373 1.00 0.00 C ATOM 769 O GLU A 51 2.349 2.737 -1.402 1.00 0.00 O ATOM 770 CB GLU A 51 1.402 5.135 -2.854 1.00 0.00 C ATOM 771 CG GLU A 51 1.999 5.295 -4.243 1.00 0.00 C ATOM 772 CD GLU A 51 2.177 6.748 -4.637 1.00 0.00 C ATOM 773 OE1 GLU A 51 1.156 7.431 -4.861 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.338 7.202 -4.721 1.00 0.00 O ATOM 0 H GLU A 51 0.018 4.370 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 51 0.090 3.600 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.737 5.975 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.203 5.180 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.965 4.792 -4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.355 4.801 -4.971 1.00 0.00 H new ATOM 781 N VAL A 52 1.563 1.661 -3.215 1.00 0.00 N ATOM 782 CA VAL A 52 2.436 0.506 -3.045 1.00 0.00 C ATOM 783 C VAL A 52 3.557 0.508 -4.079 1.00 0.00 C ATOM 784 O VAL A 52 3.313 0.676 -5.273 1.00 0.00 O ATOM 785 CB VAL A 52 1.652 -0.814 -3.158 1.00 0.00 C ATOM 786 CG1 VAL A 52 2.534 -1.994 -2.782 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.406 -0.771 -2.286 1.00 0.00 C ATOM 0 H VAL A 52 0.943 1.605 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 52 2.865 0.579 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 52 1.339 -0.941 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.962 -2.918 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.392 -2.035 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.881 -1.876 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.136 -1.712 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.695 -0.619 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.235 0.050 -2.608 1.00 0.00 H new ATOM 797 N LYS A 53 4.787 0.319 -3.611 1.00 0.00 N ATOM 798 CA LYS A 53 5.947 0.299 -4.495 1.00 0.00 C ATOM 799 C LYS A 53 6.963 -0.741 -4.036 1.00 0.00 C ATOM 800 O LYS A 53 6.935 -1.185 -2.888 1.00 0.00 O ATOM 801 CB LYS A 53 6.600 1.681 -4.545 1.00 0.00 C ATOM 802 CG LYS A 53 7.553 1.860 -5.717 1.00 0.00 C ATOM 803 CD LYS A 53 7.497 3.275 -6.269 1.00 0.00 C ATOM 804 CE LYS A 53 8.530 4.174 -5.608 1.00 0.00 C ATOM 805 NZ LYS A 53 9.877 4.017 -6.223 1.00 0.00 N ATOM 0 H LYS A 53 5.006 0.178 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 53 5.606 0.030 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.820 2.441 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.144 1.851 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.570 1.633 -5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.300 1.151 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.668 3.253 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.501 3.688 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.212 5.213 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.587 3.941 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.553 4.646 -5.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.192 3.031 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.829 4.264 -7.232 1.00 0.00 H new ATOM 819 N ALA A 54 7.859 -1.124 -4.939 1.00 0.00 N ATOM 820 CA ALA A 54 8.885 -2.112 -4.627 1.00 0.00 C ATOM 821 C ALA A 54 10.276 -1.583 -4.961 1.00 0.00 C ATOM 822 O ALA A 54 10.686 -1.576 -6.122 1.00 0.00 O ATOM 823 CB ALA A 54 8.617 -3.407 -5.378 1.00 0.00 C ATOM 0 H ALA A 54 7.896 -0.765 -5.893 1.00 0.00 H new ATOM 0 HA ALA A 54 8.848 -2.312 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.391 -4.135 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.643 -3.802 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.624 -3.214 -6.451 1.00 0.00 H new ATOM 829 N LYS A 55 10.996 -1.139 -3.936 1.00 0.00 N ATOM 830 CA LYS A 55 12.341 -0.607 -4.120 1.00 0.00 C ATOM 831 C LYS A 55 13.321 -1.717 -4.485 1.00 0.00 C ATOM 832 O LYS A 55 13.645 -2.569 -3.659 1.00 0.00 O ATOM 833 CB LYS A 55 12.809 0.105 -2.849 1.00 0.00 C ATOM 834 CG LYS A 55 13.863 1.170 -3.101 1.00 0.00 C ATOM 835 CD LYS A 55 13.695 2.353 -2.161 1.00 0.00 C ATOM 836 CE LYS A 55 14.982 3.151 -2.033 1.00 0.00 C ATOM 837 NZ LYS A 55 15.991 2.448 -1.193 1.00 0.00 N ATOM 0 H LYS A 55 10.670 -1.137 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 55 12.311 0.110 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.949 0.565 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.210 -0.634 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.856 0.739 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.797 1.512 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.899 3.001 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.387 1.997 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.397 3.331 -3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.763 4.126 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.766 3.102 -0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.542 2.118 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.370 1.632 -1.715 1.00 0.00 H new ATOM 851 N PHE A 56 13.789 -1.701 -5.729 1.00 0.00 N ATOM 852 CA PHE A 56 14.733 -2.706 -6.204 1.00 0.00 C ATOM 853 C PHE A 56 15.554 -2.171 -7.374 1.00 0.00 C ATOM 854 O PHE A 56 16.775 -2.324 -7.409 1.00 0.00 O ATOM 855 CB PHE A 56 13.989 -3.976 -6.625 1.00 0.00 C ATOM 856 CG PHE A 56 14.698 -5.242 -6.236 1.00 0.00 C ATOM 857 CD1 PHE A 56 14.646 -5.707 -4.932 1.00 0.00 C ATOM 858 CD2 PHE A 56 15.413 -5.967 -7.174 1.00 0.00 C ATOM 859 CE1 PHE A 56 15.296 -6.872 -4.570 1.00 0.00 C ATOM 860 CE2 PHE A 56 16.065 -7.134 -6.820 1.00 0.00 C ATOM 861 CZ PHE A 56 16.006 -7.587 -5.516 1.00 0.00 C ATOM 0 H PHE A 56 13.530 -1.003 -6.426 1.00 0.00 H new ATOM 0 HA PHE A 56 15.413 -2.946 -5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 56 12.996 -3.972 -6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 56 13.849 -3.964 -7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.091 -5.153 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 56 15.462 -5.617 -8.195 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.249 -7.223 -3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.619 -7.690 -7.561 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.514 -8.498 -5.236 1.00 0.00 H new ATOM 871 N MET A 57 14.875 -1.545 -8.330 1.00 0.00 N ATOM 872 CA MET A 57 15.543 -0.988 -9.501 1.00 0.00 C ATOM 873 C MET A 57 14.741 0.171 -10.085 1.00 0.00 C ATOM 874 O MET A 57 15.244 1.288 -10.207 1.00 0.00 O ATOM 875 CB MET A 57 15.749 -2.074 -10.561 1.00 0.00 C ATOM 876 CG MET A 57 17.212 -2.369 -10.852 1.00 0.00 C ATOM 877 SD MET A 57 17.781 -3.897 -10.081 1.00 0.00 S ATOM 878 CE MET A 57 19.451 -3.997 -10.720 1.00 0.00 C ATOM 0 H MET A 57 13.864 -1.411 -8.317 1.00 0.00 H new ATOM 0 HA MET A 57 16.516 -0.608 -9.189 1.00 0.00 H new ATOM 0 HB2 MET A 57 15.261 -2.991 -10.230 1.00 0.00 H new ATOM 0 HB3 MET A 57 15.258 -1.767 -11.484 1.00 0.00 H new ATOM 0 HG2 MET A 57 17.358 -2.435 -11.930 1.00 0.00 H new ATOM 0 HG3 MET A 57 17.823 -1.539 -10.498 1.00 0.00 H new ATOM 0 HE1 MET A 57 19.936 -4.893 -10.332 1.00 0.00 H new ATOM 0 HE2 MET A 57 19.422 -4.043 -11.809 1.00 0.00 H new ATOM 0 HE3 MET A 57 20.013 -3.116 -10.409 1.00 0.00 H new ATOM 888 N GLY A 58 13.491 -0.103 -10.445 1.00 0.00 N ATOM 889 CA GLY A 58 12.640 0.926 -11.012 1.00 0.00 C ATOM 890 C GLY A 58 12.496 0.796 -12.516 1.00 0.00 C ATOM 891 O GLY A 58 13.179 1.486 -13.273 1.00 0.00 O ATOM 0 H GLY A 58 13.053 -1.019 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.654 0.873 -10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.052 1.906 -10.773 1.00 0.00 H new ATOM 895 N VAL A 59 11.606 -0.090 -12.948 1.00 0.00 N ATOM 896 CA VAL A 59 11.375 -0.309 -14.372 1.00 0.00 C ATOM 897 C VAL A 59 9.885 -0.416 -14.675 1.00 0.00 C ATOM 898 O VAL A 59 9.478 -1.121 -15.599 1.00 0.00 O ATOM 899 CB VAL A 59 12.081 -1.585 -14.866 1.00 0.00 C ATOM 900 CG1 VAL A 59 13.584 -1.369 -14.942 1.00 0.00 C ATOM 901 CG2 VAL A 59 11.748 -2.762 -13.964 1.00 0.00 C ATOM 0 H VAL A 59 11.033 -0.668 -12.334 1.00 0.00 H new ATOM 0 HA VAL A 59 11.790 0.552 -14.897 1.00 0.00 H new ATOM 0 HB VAL A 59 11.720 -1.813 -15.869 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.065 -2.282 -15.293 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.800 -0.555 -15.634 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.966 -1.115 -13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.256 -3.655 -14.329 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.078 -2.546 -12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.671 -2.930 -13.968 1.00 0.00 H new ATOM 911 N GLN A 60 9.074 0.288 -13.892 1.00 0.00 N ATOM 912 CA GLN A 60 7.627 0.272 -14.077 1.00 0.00 C ATOM 913 C GLN A 60 7.107 1.664 -14.419 1.00 0.00 C ATOM 914 O GLN A 60 7.882 2.611 -14.554 1.00 0.00 O ATOM 915 CB GLN A 60 6.936 -0.248 -12.815 1.00 0.00 C ATOM 916 CG GLN A 60 7.207 0.598 -11.581 1.00 0.00 C ATOM 917 CD GLN A 60 6.389 0.159 -10.383 1.00 0.00 C ATOM 918 OE1 GLN A 60 5.233 -0.240 -10.519 1.00 0.00 O ATOM 919 NE2 GLN A 60 6.987 0.230 -9.199 1.00 0.00 N ATOM 0 H GLN A 60 9.394 0.877 -13.123 1.00 0.00 H new ATOM 0 HA GLN A 60 7.399 -0.395 -14.908 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.861 -0.287 -12.989 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.266 -1.269 -12.625 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.267 0.543 -11.333 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.986 1.642 -11.805 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.947 0.567 -9.132 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.486 -0.053 -8.357 1.00 0.00 H new ATOM 928 N MET A 61 5.790 1.782 -14.556 1.00 0.00 N ATOM 929 CA MET A 61 5.167 3.059 -14.883 1.00 0.00 C ATOM 930 C MET A 61 4.202 3.490 -13.783 1.00 0.00 C ATOM 931 O MET A 61 3.295 2.745 -13.412 1.00 0.00 O ATOM 932 CB MET A 61 4.425 2.963 -16.218 1.00 0.00 C ATOM 933 CG MET A 61 4.131 4.313 -16.850 1.00 0.00 C ATOM 934 SD MET A 61 3.163 4.175 -18.365 1.00 0.00 S ATOM 935 CE MET A 61 4.347 3.389 -19.454 1.00 0.00 C ATOM 0 H MET A 61 5.134 1.009 -14.446 1.00 0.00 H new ATOM 0 HA MET A 61 5.955 3.808 -14.966 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.019 2.368 -16.912 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.486 2.431 -16.065 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.593 4.935 -16.135 1.00 0.00 H new ATOM 0 HG3 MET A 61 5.071 4.820 -17.069 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.006 3.475 -20.486 1.00 0.00 H new ATOM 0 HE2 MET A 61 5.316 3.877 -19.351 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.441 2.336 -19.190 1.00 0.00 H new ATOM 945 N GLU A 62 4.403 4.698 -13.267 1.00 0.00 N ATOM 946 CA GLU A 62 3.551 5.229 -12.208 1.00 0.00 C ATOM 947 C GLU A 62 3.609 4.343 -10.968 1.00 0.00 C ATOM 948 O GLU A 62 4.196 3.261 -10.991 1.00 0.00 O ATOM 949 CB GLU A 62 2.107 5.349 -12.700 1.00 0.00 C ATOM 950 CG GLU A 62 1.761 6.727 -13.239 1.00 0.00 C ATOM 951 CD GLU A 62 1.054 6.671 -14.579 1.00 0.00 C ATOM 952 OE1 GLU A 62 1.536 5.945 -15.474 1.00 0.00 O ATOM 953 OE2 GLU A 62 0.018 7.351 -14.733 1.00 0.00 O ATOM 0 H GLU A 62 5.148 5.328 -13.565 1.00 0.00 H new ATOM 0 HA GLU A 62 3.919 6.220 -11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.935 4.609 -13.481 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.431 5.109 -11.879 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.127 7.245 -12.520 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.674 7.313 -13.339 1.00 0.00 H new ATOM 960 N THR A 63 2.996 4.809 -9.885 1.00 0.00 N ATOM 961 CA THR A 63 2.977 4.059 -8.635 1.00 0.00 C ATOM 962 C THR A 63 1.681 3.269 -8.493 1.00 0.00 C ATOM 963 O THR A 63 0.587 3.825 -8.604 1.00 0.00 O ATOM 964 CB THR A 63 3.146 5.006 -7.444 1.00 0.00 C ATOM 965 OG1 THR A 63 2.711 6.313 -7.777 1.00 0.00 O ATOM 966 CG2 THR A 63 4.576 5.106 -6.958 1.00 0.00 C ATOM 0 H THR A 63 2.506 5.703 -9.848 1.00 0.00 H new ATOM 0 HA THR A 63 3.809 3.355 -8.651 1.00 0.00 H new ATOM 0 HB THR A 63 2.538 4.580 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.223 6.970 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.626 5.793 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.924 4.121 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.209 5.476 -7.764 1.00 0.00 H new ATOM 974 N PHE A 64 1.809 1.970 -8.247 1.00 0.00 N ATOM 975 CA PHE A 64 0.648 1.102 -8.090 1.00 0.00 C ATOM 976 C PHE A 64 -0.044 1.356 -6.755 1.00 0.00 C ATOM 977 O PHE A 64 0.471 0.990 -5.698 1.00 0.00 O ATOM 978 CB PHE A 64 1.065 -0.366 -8.192 1.00 0.00 C ATOM 979 CG PHE A 64 -0.095 -1.314 -8.297 1.00 0.00 C ATOM 980 CD1 PHE A 64 -0.986 -1.224 -9.354 1.00 0.00 C ATOM 981 CD2 PHE A 64 -0.295 -2.295 -7.338 1.00 0.00 C ATOM 982 CE1 PHE A 64 -2.055 -2.096 -9.453 1.00 0.00 C ATOM 983 CE2 PHE A 64 -1.361 -3.169 -7.433 1.00 0.00 C ATOM 984 CZ PHE A 64 -2.242 -3.070 -8.492 1.00 0.00 C ATOM 0 H PHE A 64 2.706 1.494 -8.152 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.055 1.328 -8.891 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.707 -0.493 -9.063 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.660 -0.628 -7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.844 -0.465 -10.109 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.390 -2.377 -6.507 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.743 -2.015 -10.281 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.505 -3.929 -6.680 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.075 -3.753 -8.568 1.00 0.00 H new ATOM 994 N MET A 65 -1.215 1.983 -6.810 1.00 0.00 N ATOM 995 CA MET A 65 -1.978 2.285 -5.604 1.00 0.00 C ATOM 996 C MET A 65 -2.931 1.144 -5.263 1.00 0.00 C ATOM 997 O MET A 65 -3.546 0.550 -6.150 1.00 0.00 O ATOM 998 CB MET A 65 -2.764 3.585 -5.784 1.00 0.00 C ATOM 999 CG MET A 65 -1.881 4.809 -5.970 1.00 0.00 C ATOM 1000 SD MET A 65 -2.655 6.075 -6.993 1.00 0.00 S ATOM 1001 CE MET A 65 -1.873 7.553 -6.353 1.00 0.00 C ATOM 0 H MET A 65 -1.656 2.292 -7.676 1.00 0.00 H new ATOM 0 HA MET A 65 -1.275 2.405 -4.780 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.421 3.486 -6.648 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.403 3.737 -4.914 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.643 5.232 -4.994 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.938 4.506 -6.425 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.289 8.429 -6.851 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.054 7.625 -5.280 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.800 7.506 -6.538 1.00 0.00 H new ATOM 1011 N LEU A 66 -3.049 0.843 -3.974 1.00 0.00 N ATOM 1012 CA LEU A 66 -3.928 -0.227 -3.517 1.00 0.00 C ATOM 1013 C LEU A 66 -5.273 0.331 -3.062 1.00 0.00 C ATOM 1014 O LEU A 66 -5.342 1.409 -2.474 1.00 0.00 O ATOM 1015 CB LEU A 66 -3.270 -1.001 -2.373 1.00 0.00 C ATOM 1016 CG LEU A 66 -4.062 -2.209 -1.869 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -4.184 -3.260 -2.961 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -3.403 -2.797 -0.630 1.00 0.00 C ATOM 0 H LEU A 66 -2.547 1.325 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.101 -0.905 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.288 -1.341 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.108 -0.318 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.065 -1.877 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.750 -4.112 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.700 -2.833 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.189 -3.590 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.979 -3.655 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.389 -3.114 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.368 -2.043 0.156 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.339 -0.413 -3.339 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.684 0.006 -2.958 1.00 0.00 C ATOM 1032 C HIS A 67 -8.206 -0.835 -1.798 1.00 0.00 C ATOM 1033 O HIS A 67 -7.848 -2.003 -1.654 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.632 -0.104 -4.153 1.00 0.00 C ATOM 1035 CG HIS A 67 -8.782 1.174 -4.919 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -8.917 1.401 -6.247 1.00 0.00 N flip ATOM 1037 CD2 HIS A 67 -8.804 2.415 -4.317 1.00 0.00 C flip ATOM 1038 CE1 HIS A 67 -9.017 2.760 -6.420 1.00 0.00 C flip ATOM 1039 NE2 HIS A 67 -8.946 3.348 -5.241 1.00 0.00 N flip ATOM 0 H HIS A 67 -6.298 -1.309 -3.826 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.638 1.046 -2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.267 -0.880 -4.826 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.613 -0.424 -3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.718 2.596 -3.256 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.135 3.265 -7.367 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.993 4.353 -5.072 1.00 0.00 H new ATOM 1048 N TYR A 68 -9.056 -0.232 -0.973 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.628 -0.926 0.175 1.00 0.00 C ATOM 1050 C TYR A 68 -10.795 -1.812 -0.251 1.00 0.00 C ATOM 1051 O TYR A 68 -11.051 -2.851 0.356 1.00 0.00 O ATOM 1052 CB TYR A 68 -10.097 0.083 1.226 1.00 0.00 C ATOM 1053 CG TYR A 68 -10.187 -0.493 2.622 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -9.104 -1.149 3.194 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -11.355 -0.381 3.366 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -9.182 -1.677 4.469 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -11.441 -0.905 4.642 1.00 0.00 C ATOM 1058 CZ TYR A 68 -10.353 -1.552 5.188 1.00 0.00 C ATOM 1059 OH TYR A 68 -10.435 -2.076 6.457 1.00 0.00 O ATOM 0 H TYR A 68 -9.364 0.735 -1.078 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.853 -1.559 0.608 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.411 0.930 1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.075 0.468 0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.186 -1.248 2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.210 0.124 2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.331 -2.184 4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.356 -0.808 5.208 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.326 -1.902 6.826 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.499 -1.393 -1.298 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.639 -2.149 -1.805 1.00 0.00 C ATOM 1071 C GLN A 69 -12.214 -3.550 -2.234 1.00 0.00 C ATOM 1072 O GLN A 69 -12.862 -4.538 -1.891 1.00 0.00 O ATOM 1073 CB GLN A 69 -13.282 -1.409 -2.981 1.00 0.00 C ATOM 1074 CG GLN A 69 -14.757 -1.105 -2.774 1.00 0.00 C ATOM 1075 CD GLN A 69 -15.027 0.374 -2.578 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -15.556 1.043 -3.466 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -14.662 0.893 -1.412 1.00 0.00 N ATOM 0 H GLN A 69 -11.300 -0.534 -1.812 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.371 -2.244 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.747 -0.474 -3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.166 -2.008 -3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.322 -1.462 -3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.119 -1.655 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.227 0.301 -0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.817 1.883 -1.224 1.00 0.00 H new ATOM 1086 N ASP A 70 -11.122 -3.627 -2.987 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.611 -4.908 -3.464 1.00 0.00 C ATOM 1088 C ASP A 70 -10.205 -5.801 -2.295 1.00 0.00 C ATOM 1089 O ASP A 70 -10.397 -7.016 -2.333 1.00 0.00 O ATOM 1090 CB ASP A 70 -9.416 -4.690 -4.394 1.00 0.00 C ATOM 1091 CG ASP A 70 -9.827 -4.595 -5.850 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -10.001 -5.655 -6.488 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -9.974 -3.462 -6.353 1.00 0.00 O ATOM 0 H ASP A 70 -10.574 -2.818 -3.280 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.407 -5.405 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.896 -3.776 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.709 -5.511 -4.272 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.644 -5.190 -1.258 1.00 0.00 N ATOM 1099 CA LEU A 71 -9.211 -5.929 -0.078 1.00 0.00 C ATOM 1100 C LEU A 71 -10.402 -6.563 0.634 1.00 0.00 C ATOM 1101 O LEU A 71 -10.352 -7.728 1.029 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.462 -5.003 0.884 1.00 0.00 C ATOM 1103 CG LEU A 71 -7.145 -4.442 0.346 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.682 -3.265 1.193 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -6.080 -5.527 0.310 1.00 0.00 C ATOM 0 H LEU A 71 -9.478 -4.185 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.540 -6.723 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.115 -4.170 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.258 -5.549 1.805 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.310 -4.089 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.743 -2.878 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.438 -2.480 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.533 -3.593 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.149 -5.111 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.917 -5.910 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.410 -6.339 -0.338 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.470 -5.789 0.792 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.674 -6.276 1.456 1.00 0.00 C ATOM 1119 C LEU A 72 -13.431 -7.252 0.561 1.00 0.00 C ATOM 1120 O LEU A 72 -14.003 -8.232 1.038 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.582 -5.104 1.835 1.00 0.00 C ATOM 1122 CG LEU A 72 -13.031 -4.185 2.926 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.521 -2.760 2.720 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -13.432 -4.695 4.302 1.00 0.00 C ATOM 0 H LEU A 72 -11.527 -4.823 0.470 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.372 -6.801 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.773 -4.509 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.542 -5.500 2.166 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.943 -4.186 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.119 -2.120 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.185 -2.397 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.610 -2.741 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.032 -4.030 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.519 -4.723 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.033 -5.699 4.449 1.00 0.00 H new ATOM 1136 N GLN A 73 -13.430 -6.977 -0.740 1.00 0.00 N ATOM 1137 CA GLN A 73 -14.116 -7.831 -1.702 1.00 0.00 C ATOM 1138 C GLN A 73 -13.547 -9.246 -1.677 1.00 0.00 C ATOM 1139 O GLN A 73 -14.265 -10.218 -1.909 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.998 -7.245 -3.110 1.00 0.00 C ATOM 1141 CG GLN A 73 -15.196 -7.546 -3.997 1.00 0.00 C ATOM 1142 CD GLN A 73 -14.851 -8.462 -5.154 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -13.833 -8.282 -5.822 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -15.701 -9.453 -5.398 1.00 0.00 N ATOM 0 H GLN A 73 -12.962 -6.170 -1.151 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.169 -7.878 -1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.874 -6.165 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -13.098 -7.637 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.981 -8.006 -3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.599 -6.611 -4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.533 -9.565 -4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.522 -10.102 -6.164 1.00 0.00 H new ATOM 1153 N LEU A 74 -12.252 -9.353 -1.396 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.586 -10.649 -1.341 1.00 0.00 C ATOM 1155 C LEU A 74 -11.992 -11.416 -0.088 1.00 0.00 C ATOM 1156 O LEU A 74 -12.256 -12.618 -0.140 1.00 0.00 O ATOM 1157 CB LEU A 74 -10.068 -10.467 -1.373 1.00 0.00 C ATOM 1158 CG LEU A 74 -9.507 -9.938 -2.694 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -8.173 -9.244 -2.467 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -9.357 -11.069 -3.700 1.00 0.00 C ATOM 0 H LEU A 74 -11.643 -8.558 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.894 -11.226 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.783 -9.782 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.598 -11.426 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.209 -9.209 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.789 -8.874 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.310 -8.408 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.463 -9.952 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.957 -10.675 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.676 -11.822 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.331 -11.523 -3.885 1.00 0.00 H new ATOM 1172 N GLN A 75 -12.040 -10.715 1.040 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.414 -11.330 2.309 1.00 0.00 C ATOM 1174 C GLN A 75 -13.872 -11.778 2.286 1.00 0.00 C ATOM 1175 O GLN A 75 -14.238 -12.765 2.924 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.187 -10.350 3.461 1.00 0.00 C ATOM 1177 CG GLN A 75 -11.700 -11.015 4.738 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.123 -10.023 5.728 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -11.649 -8.924 5.901 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -10.035 -10.408 6.385 1.00 0.00 N ATOM 0 H GLN A 75 -11.824 -9.720 1.102 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.785 -12.207 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.459 -9.600 3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.119 -9.823 3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.528 -11.548 5.204 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.942 -11.758 4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.633 -11.329 6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.602 -9.783 7.065 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.700 -11.045 1.548 1.00 0.00 N ATOM 1190 CA TYR A 76 -16.118 -11.367 1.443 1.00 0.00 C ATOM 1191 C TYR A 76 -16.335 -12.588 0.553 1.00 0.00 C ATOM 1192 O TYR A 76 -17.230 -13.396 0.799 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.893 -10.172 0.885 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.389 -10.271 1.087 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -18.948 -10.152 2.353 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -19.241 -10.485 0.011 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.314 -10.243 2.541 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.608 -10.577 0.191 1.00 0.00 C ATOM 1199 CZ TYR A 76 -21.139 -10.456 1.458 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.499 -10.546 1.640 1.00 0.00 O ATOM 0 H TYR A 76 -14.413 -10.225 1.014 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.487 -11.598 2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.530 -9.261 1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.684 -10.080 -0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.305 -9.986 3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.828 -10.581 -0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -20.733 -10.148 3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -21.257 -10.743 -0.656 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.935 -10.696 0.776 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.509 -12.714 -0.479 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.610 -13.837 -1.406 1.00 0.00 C ATOM 1212 C GLU A 77 -14.978 -15.091 -0.812 1.00 0.00 C ATOM 1213 O GLU A 77 -15.665 -16.075 -0.538 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.934 -13.491 -2.734 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.698 -12.464 -3.556 1.00 0.00 C ATOM 1216 CD GLU A 77 -16.208 -13.029 -4.868 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -15.378 -13.490 -5.679 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -17.438 -13.009 -5.084 1.00 0.00 O ATOM 0 H GLU A 77 -14.762 -12.054 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.667 -14.035 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.932 -13.112 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.819 -14.402 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.540 -12.092 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.050 -11.612 -3.759 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.665 -15.049 -0.615 1.00 0.00 N ATOM 1226 CA GLY A 78 -12.962 -16.188 -0.054 1.00 0.00 C ATOM 1227 C GLY A 78 -11.543 -16.308 -0.577 1.00 0.00 C ATOM 1228 O GLY A 78 -11.097 -17.399 -0.934 1.00 0.00 O ATOM 0 H GLY A 78 -13.075 -14.246 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.939 -16.098 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.510 -17.101 -0.287 1.00 0.00 H new ATOM 1232 N VAL A 79 -10.833 -15.186 -0.621 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.458 -15.170 -1.103 1.00 0.00 C ATOM 1234 C VAL A 79 -8.500 -14.707 -0.011 1.00 0.00 C ATOM 1235 O VAL A 79 -8.578 -13.570 0.457 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.303 -14.251 -2.331 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -7.902 -14.368 -2.914 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.353 -14.579 -3.382 1.00 0.00 C ATOM 0 H VAL A 79 -11.188 -14.276 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.211 -16.192 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.454 -13.220 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.812 -13.712 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.169 -14.078 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.720 -15.398 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.227 -13.920 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.238 -15.615 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.348 -14.438 -2.959 1.00 0.00 H new ATOM 1248 N ALA A 80 -7.595 -15.593 0.392 1.00 0.00 N ATOM 1249 CA ALA A 80 -6.622 -15.275 1.429 1.00 0.00 C ATOM 1250 C ALA A 80 -5.298 -14.825 0.820 1.00 0.00 C ATOM 1251 O ALA A 80 -4.579 -14.015 1.403 1.00 0.00 O ATOM 1252 CB ALA A 80 -6.407 -16.476 2.337 1.00 0.00 C ATOM 0 H ALA A 80 -7.516 -16.538 0.015 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.017 -14.451 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.678 -16.224 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.351 -16.750 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.038 -17.316 1.748 1.00 0.00 H new ATOM 1258 N VAL A 81 -4.983 -15.358 -0.356 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.744 -15.012 -1.044 1.00 0.00 C ATOM 1260 C VAL A 81 -3.962 -13.865 -2.024 1.00 0.00 C ATOM 1261 O VAL A 81 -4.953 -13.839 -2.754 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.168 -16.221 -1.806 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -1.784 -15.900 -2.347 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.127 -17.448 -0.908 1.00 0.00 C ATOM 0 H VAL A 81 -5.568 -16.030 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.033 -14.702 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.821 -16.440 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.393 -16.765 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.847 -15.051 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.118 -15.654 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.717 -18.292 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.498 -17.244 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.136 -17.689 -0.575 1.00 0.00 H new ATOM 1274 N MET A 82 -3.030 -12.918 -2.035 1.00 0.00 N ATOM 1275 CA MET A 82 -3.119 -11.767 -2.927 1.00 0.00 C ATOM 1276 C MET A 82 -1.936 -11.732 -3.889 1.00 0.00 C ATOM 1277 O MET A 82 -0.795 -11.530 -3.477 1.00 0.00 O ATOM 1278 CB MET A 82 -3.172 -10.470 -2.116 1.00 0.00 C ATOM 1279 CG MET A 82 -3.302 -9.222 -2.973 1.00 0.00 C ATOM 1280 SD MET A 82 -3.991 -7.825 -2.064 1.00 0.00 S ATOM 1281 CE MET A 82 -2.580 -6.721 -2.020 1.00 0.00 C ATOM 0 H MET A 82 -2.204 -12.925 -1.436 1.00 0.00 H new ATOM 0 HA MET A 82 -4.035 -11.860 -3.510 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.015 -10.517 -1.426 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.269 -10.393 -1.511 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.321 -8.949 -3.362 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.936 -9.440 -3.832 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.873 -5.774 -1.568 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.782 -7.173 -1.430 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.225 -6.544 -3.035 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.219 -11.928 -5.172 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.178 -11.919 -6.193 1.00 0.00 C ATOM 1293 C LYS A 83 -0.702 -10.497 -6.472 1.00 0.00 C ATOM 1294 O LYS A 83 -1.379 -9.728 -7.154 1.00 0.00 O ATOM 1295 CB LYS A 83 -1.695 -12.558 -7.484 1.00 0.00 C ATOM 1296 CG LYS A 83 -0.652 -12.625 -8.589 1.00 0.00 C ATOM 1297 CD LYS A 83 -0.321 -14.062 -8.960 1.00 0.00 C ATOM 1298 CE LYS A 83 0.423 -14.768 -7.837 1.00 0.00 C ATOM 1299 NZ LYS A 83 1.079 -16.020 -8.307 1.00 0.00 N ATOM 0 H LYS A 83 -3.160 -12.095 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.334 -12.499 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.046 -13.566 -7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.555 -11.991 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.019 -12.097 -9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.255 -12.114 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.241 -14.602 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.286 -14.075 -9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.176 -14.097 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.273 -15.003 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.575 -16.471 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.358 -16.671 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.762 -15.793 -9.058 1.00 0.00 H new ATOM 1313 N LEU A 84 0.467 -10.155 -5.941 1.00 0.00 N ATOM 1314 CA LEU A 84 1.034 -8.825 -6.132 1.00 0.00 C ATOM 1315 C LEU A 84 2.283 -8.886 -7.006 1.00 0.00 C ATOM 1316 O LEU A 84 3.179 -9.696 -6.769 1.00 0.00 O ATOM 1317 CB LEU A 84 1.371 -8.192 -4.780 1.00 0.00 C ATOM 1318 CG LEU A 84 0.248 -7.363 -4.156 1.00 0.00 C ATOM 1319 CD1 LEU A 84 0.509 -7.143 -2.673 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.105 -6.032 -4.877 1.00 0.00 C ATOM 0 H LEU A 84 1.040 -10.780 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 84 0.290 -8.209 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.647 -8.984 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.247 -7.555 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.687 -7.913 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.300 -6.551 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.561 -8.106 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.453 -6.614 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.699 -5.455 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.039 -5.475 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.128 -6.210 -5.927 1.00 0.00 H new ATOM 1332 N PHE A 85 2.335 -8.024 -8.015 1.00 0.00 N ATOM 1333 CA PHE A 85 3.474 -7.978 -8.925 1.00 0.00 C ATOM 1334 C PHE A 85 3.677 -9.321 -9.624 1.00 0.00 C ATOM 1335 O PHE A 85 4.770 -9.621 -10.103 1.00 0.00 O ATOM 1336 CB PHE A 85 4.743 -7.589 -8.167 1.00 0.00 C ATOM 1337 CG PHE A 85 4.768 -6.149 -7.737 1.00 0.00 C ATOM 1338 CD1 PHE A 85 4.964 -5.139 -8.666 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.594 -5.807 -6.406 1.00 0.00 C ATOM 1340 CE1 PHE A 85 4.986 -3.814 -8.273 1.00 0.00 C ATOM 1341 CE2 PHE A 85 4.617 -4.483 -6.008 1.00 0.00 C ATOM 1342 CZ PHE A 85 4.813 -3.486 -6.943 1.00 0.00 C ATOM 0 H PHE A 85 1.601 -7.347 -8.224 1.00 0.00 H new ATOM 0 HA PHE A 85 3.265 -7.225 -9.685 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.840 -8.224 -7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.609 -7.786 -8.799 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.101 -5.390 -9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.439 -6.583 -5.671 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.138 -3.036 -9.006 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.482 -4.229 -4.967 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.831 -2.451 -6.634 1.00 0.00 H new ATOM 1352 N ASP A 86 2.618 -10.125 -9.679 1.00 0.00 N ATOM 1353 CA ASP A 86 2.684 -11.435 -10.320 1.00 0.00 C ATOM 1354 C ASP A 86 3.831 -12.268 -9.755 1.00 0.00 C ATOM 1355 O ASP A 86 4.404 -13.106 -10.451 1.00 0.00 O ATOM 1356 CB ASP A 86 2.851 -11.276 -11.833 1.00 0.00 C ATOM 1357 CG ASP A 86 1.538 -10.987 -12.533 1.00 0.00 C ATOM 1358 OD1 ASP A 86 0.752 -11.936 -12.735 1.00 0.00 O ATOM 1359 OD2 ASP A 86 1.295 -9.811 -12.877 1.00 0.00 O ATOM 0 H ASP A 86 1.705 -9.892 -9.288 1.00 0.00 H new ATOM 0 HA ASP A 86 1.749 -11.957 -10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.553 -10.467 -12.035 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.287 -12.186 -12.245 1.00 0.00 H new ATOM 1364 N ARG A 87 4.161 -12.032 -8.489 1.00 0.00 N ATOM 1365 CA ARG A 87 5.240 -12.760 -7.833 1.00 0.00 C ATOM 1366 C ARG A 87 5.062 -12.749 -6.318 1.00 0.00 C ATOM 1367 O ARG A 87 5.025 -13.801 -5.679 1.00 0.00 O ATOM 1368 CB ARG A 87 6.594 -12.151 -8.202 1.00 0.00 C ATOM 1369 CG ARG A 87 6.951 -12.308 -9.672 1.00 0.00 C ATOM 1370 CD ARG A 87 8.453 -12.220 -9.895 1.00 0.00 C ATOM 1371 NE ARG A 87 8.796 -11.259 -10.941 1.00 0.00 N ATOM 1372 CZ ARG A 87 10.024 -10.788 -11.142 1.00 0.00 C ATOM 1373 NH1 ARG A 87 11.030 -11.186 -10.371 1.00 0.00 N ATOM 1374 NH2 ARG A 87 10.249 -9.917 -12.116 1.00 0.00 N ATOM 0 H ARG A 87 3.697 -11.343 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 87 5.208 -13.794 -8.178 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.587 -11.091 -7.949 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.370 -12.618 -7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.584 -13.268 -10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.450 -11.534 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.941 -11.932 -8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.837 -13.203 -10.166 1.00 0.00 H new ATOM 0 HE ARG A 87 8.050 -10.930 -11.553 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.863 -11.856 -9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.969 -10.822 -10.530 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.481 -9.608 -12.711 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.190 -9.556 -12.270 1.00 0.00 H new ATOM 1388 N ALA A 88 4.952 -11.553 -5.749 1.00 0.00 N ATOM 1389 CA ALA A 88 4.778 -11.404 -4.310 1.00 0.00 C ATOM 1390 C ALA A 88 3.371 -11.807 -3.881 1.00 0.00 C ATOM 1391 O ALA A 88 2.383 -11.277 -4.386 1.00 0.00 O ATOM 1392 CB ALA A 88 5.070 -9.972 -3.888 1.00 0.00 C ATOM 0 H ALA A 88 4.980 -10.673 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 88 5.485 -12.069 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.936 -9.876 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.097 -9.718 -4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.387 -9.295 -4.401 1.00 0.00 H new ATOM 1398 N LYS A 89 3.290 -12.748 -2.945 1.00 0.00 N ATOM 1399 CA LYS A 89 2.005 -13.222 -2.447 1.00 0.00 C ATOM 1400 C LYS A 89 1.785 -12.780 -1.004 1.00 0.00 C ATOM 1401 O LYS A 89 2.483 -13.230 -0.094 1.00 0.00 O ATOM 1402 CB LYS A 89 1.927 -14.746 -2.544 1.00 0.00 C ATOM 1403 CG LYS A 89 1.485 -15.248 -3.909 1.00 0.00 C ATOM 1404 CD LYS A 89 1.437 -16.767 -3.957 1.00 0.00 C ATOM 1405 CE LYS A 89 2.832 -17.371 -3.913 1.00 0.00 C ATOM 1406 NZ LYS A 89 2.890 -18.572 -3.034 1.00 0.00 N ATOM 0 H LYS A 89 4.100 -13.197 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 89 1.220 -12.786 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.905 -15.167 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.233 -15.115 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.500 -14.844 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.171 -14.881 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.851 -17.140 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.929 -17.087 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.141 -17.644 -4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.540 -16.624 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.857 -18.954 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.620 -18.307 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.233 -19.295 -3.391 1.00 0.00 H new ATOM 1420 N VAL A 90 0.813 -11.897 -0.802 1.00 0.00 N ATOM 1421 CA VAL A 90 0.503 -11.394 0.532 1.00 0.00 C ATOM 1422 C VAL A 90 -0.839 -11.924 1.021 1.00 0.00 C ATOM 1423 O VAL A 90 -1.705 -12.284 0.222 1.00 0.00 O ATOM 1424 CB VAL A 90 0.474 -9.855 0.562 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.415 -9.349 1.996 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.681 -9.280 -0.165 1.00 0.00 C ATOM 0 H VAL A 90 0.227 -11.515 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 90 1.294 -11.748 1.193 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.425 -9.519 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.395 -8.259 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.485 -9.729 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.293 -9.696 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.641 -8.191 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.595 -9.624 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.673 -9.612 -1.203 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.008 -11.966 2.338 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.247 -12.450 2.935 1.00 0.00 C ATOM 1438 C ASN A 91 -3.244 -11.309 3.112 1.00 0.00 C ATOM 1439 O ASN A 91 -2.966 -10.333 3.807 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.964 -13.109 4.285 1.00 0.00 C ATOM 1441 CG ASN A 91 -2.906 -14.261 4.576 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -3.066 -15.169 3.760 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.538 -14.229 5.743 1.00 0.00 N ATOM 0 H ASN A 91 -0.302 -11.671 3.013 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.682 -13.190 2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.936 -13.471 4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.051 -12.363 5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.186 -14.976 5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.376 -13.457 6.390 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.404 -11.439 2.477 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.441 -10.418 2.563 1.00 0.00 C ATOM 1452 C VAL A 92 -6.046 -10.358 3.964 1.00 0.00 C ATOM 1453 O VAL A 92 -6.611 -9.340 4.362 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.566 -10.672 1.541 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.558 -9.519 1.537 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -5.987 -10.891 0.150 1.00 0.00 C ATOM 0 H VAL A 92 -4.649 -12.242 1.897 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.962 -9.465 2.338 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.098 -11.577 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.344 -9.718 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.999 -9.415 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.042 -8.596 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.797 -11.069 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.427 -10.007 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.322 -11.755 0.165 1.00 0.00 H new ATOM 1466 N ASN A 93 -5.930 -11.456 4.706 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.470 -11.525 6.059 1.00 0.00 C ATOM 1468 C ASN A 93 -5.548 -10.830 7.056 1.00 0.00 C ATOM 1469 O ASN A 93 -6.009 -10.227 8.025 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.680 -12.983 6.472 1.00 0.00 C ATOM 1471 CG ASN A 93 -7.711 -13.685 5.613 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -7.380 -14.283 4.589 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -8.971 -13.617 6.025 1.00 0.00 N ATOM 0 H ASN A 93 -5.467 -12.309 4.393 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.430 -11.009 6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.732 -13.517 6.405 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.994 -13.020 7.515 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.709 -14.071 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.201 -13.111 6.880 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.244 -10.920 6.816 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.261 -10.301 7.698 1.00 0.00 C ATOM 1482 C LEU A 94 -2.835 -8.933 7.175 1.00 0.00 C ATOM 1483 O LEU A 94 -2.486 -8.043 7.951 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.036 -11.207 7.844 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.228 -12.411 8.769 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.470 -13.619 8.239 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -1.777 -12.073 10.182 1.00 0.00 C ATOM 0 H LEU A 94 -3.844 -11.415 6.019 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.726 -10.164 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.751 -11.569 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.204 -10.610 8.217 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.289 -12.659 8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.619 -14.465 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.840 -13.874 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.407 -13.385 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.920 -12.940 10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.722 -11.799 10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.365 -11.237 10.562 1.00 0.00 H new ATOM 1499 N LEU A 95 -2.865 -8.771 5.857 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.479 -7.510 5.231 1.00 0.00 C ATOM 1501 C LEU A 95 -3.345 -6.362 5.739 1.00 0.00 C ATOM 1502 O LEU A 95 -2.837 -5.295 6.084 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.594 -7.616 3.709 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.261 -6.333 2.945 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -0.765 -6.067 2.977 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.760 -6.425 1.511 1.00 0.00 C ATOM 0 H LEU A 95 -3.153 -9.497 5.200 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.442 -7.304 5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.931 -8.409 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.610 -7.918 3.457 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.766 -5.499 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.547 -5.151 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.437 -5.958 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.237 -6.901 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.515 -5.505 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.282 -7.269 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.841 -6.568 1.510 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.654 -6.587 5.783 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.589 -5.569 6.248 1.00 0.00 C ATOM 1520 C ILE A 96 -5.425 -5.316 7.743 1.00 0.00 C ATOM 1521 O ILE A 96 -5.559 -4.183 8.208 1.00 0.00 O ATOM 1522 CB ILE A 96 -7.049 -5.974 5.963 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.217 -6.360 4.492 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -7.998 -4.842 6.328 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.582 -6.929 4.170 1.00 0.00 C ATOM 0 H ILE A 96 -5.091 -7.465 5.502 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.361 -4.655 5.700 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.294 -6.839 6.579 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.043 -5.481 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.455 -7.093 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.024 -5.146 6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.896 -4.609 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.755 -3.959 5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.631 -7.181 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.751 -7.827 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.348 -6.190 4.403 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.136 -6.375 8.491 1.00 0.00 N ATOM 1538 CA PHE A 97 -4.954 -6.266 9.935 1.00 0.00 C ATOM 1539 C PHE A 97 -3.833 -5.289 10.272 1.00 0.00 C ATOM 1540 O PHE A 97 -3.995 -4.411 11.120 1.00 0.00 O ATOM 1541 CB PHE A 97 -4.649 -7.640 10.535 1.00 0.00 C ATOM 1542 CG PHE A 97 -4.487 -7.620 12.029 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -3.305 -7.184 12.604 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -5.517 -8.038 12.856 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -3.152 -7.165 13.977 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -5.369 -8.021 14.231 1.00 0.00 C ATOM 1547 CZ PHE A 97 -4.185 -7.584 14.792 1.00 0.00 C ATOM 0 H PHE A 97 -5.023 -7.319 8.122 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.881 -5.886 10.365 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.453 -8.328 10.274 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.737 -8.030 10.084 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.493 -6.855 11.972 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.445 -8.381 12.423 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.225 -6.823 14.413 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.179 -8.349 14.866 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.067 -7.570 15.865 1.00 0.00 H new ATOM 1557 N LEU A 98 -2.695 -5.449 9.606 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.544 -4.583 9.837 1.00 0.00 C ATOM 1559 C LEU A 98 -1.849 -3.147 9.421 1.00 0.00 C ATOM 1560 O LEU A 98 -1.578 -2.204 10.165 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.328 -5.101 9.068 1.00 0.00 C ATOM 1562 CG LEU A 98 1.027 -4.687 9.644 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.470 -5.666 10.719 1.00 0.00 C ATOM 1564 CD2 LEU A 98 2.069 -4.596 8.540 1.00 0.00 C ATOM 0 H LEU A 98 -2.544 -6.171 8.901 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.323 -4.593 10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.375 -6.190 9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.391 -4.748 8.039 1.00 0.00 H new ATOM 0 HG LEU A 98 0.923 -3.702 10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.436 -5.356 11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.734 -5.682 11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.558 -6.664 10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.027 -4.300 8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.172 -5.567 8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.756 -3.855 7.804 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.413 -2.989 8.228 1.00 0.00 N ATOM 1577 CA LEU A 99 -2.753 -1.667 7.712 1.00 0.00 C ATOM 1578 C LEU A 99 -3.803 -0.990 8.587 1.00 0.00 C ATOM 1579 O LEU A 99 -3.843 0.235 8.689 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.264 -1.776 6.275 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.286 -2.407 5.284 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -2.999 -2.781 3.994 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.129 -1.459 5.001 1.00 0.00 C ATOM 0 H LEU A 99 -2.644 -3.759 7.600 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.850 -1.057 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.184 -2.361 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.522 -0.778 5.921 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.884 -3.317 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.287 -3.229 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.792 -3.496 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.430 -1.887 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.442 -1.924 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.514 -0.532 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.601 -1.242 5.930 1.00 0.00 H new ATOM 1595 N ASN A 100 -4.654 -1.797 9.215 1.00 0.00 N ATOM 1596 CA ASN A 100 -5.707 -1.275 10.079 1.00 0.00 C ATOM 1597 C ASN A 100 -5.127 -0.442 11.219 1.00 0.00 C ATOM 1598 O ASN A 100 -5.797 0.438 11.758 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.543 -2.423 10.647 1.00 0.00 C ATOM 1600 CG ASN A 100 -7.932 -1.979 11.060 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.096 -1.227 12.021 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -8.943 -2.441 10.333 1.00 0.00 N ATOM 0 H ASN A 100 -4.634 -2.814 9.141 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.344 -0.629 9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.624 -3.213 9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.030 -2.850 11.509 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.900 -2.174 10.563 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.762 -3.062 9.545 1.00 0.00 H new ATOM 1609 N LYS A 101 -3.880 -0.726 11.585 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.219 -0.001 12.664 1.00 0.00 C ATOM 1611 C LYS A 101 -2.065 0.849 12.135 1.00 0.00 C ATOM 1612 O LYS A 101 -1.701 1.859 12.737 1.00 0.00 O ATOM 1613 CB LYS A 101 -2.704 -0.980 13.722 1.00 0.00 C ATOM 1614 CG LYS A 101 -3.567 -1.030 14.973 1.00 0.00 C ATOM 1615 CD LYS A 101 -3.581 -2.424 15.586 1.00 0.00 C ATOM 1616 CE LYS A 101 -2.930 -2.436 16.960 1.00 0.00 C ATOM 1617 NZ LYS A 101 -3.940 -2.399 18.054 1.00 0.00 N ATOM 0 H LYS A 101 -3.309 -1.451 11.151 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.952 0.666 13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.651 -1.978 13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.689 -0.699 14.002 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.192 -0.314 15.704 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.585 -0.730 14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.609 -2.777 15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.057 -3.117 14.928 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.316 -3.331 17.063 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.263 -1.579 17.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.456 -2.409 18.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.510 -1.533 17.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.561 -3.230 17.981 1.00 0.00 H new ATOM 1631 N LYS A 102 -1.491 0.432 11.011 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.376 1.156 10.410 1.00 0.00 C ATOM 1633 C LYS A 102 -0.849 2.446 9.747 1.00 0.00 C ATOM 1634 O LYS A 102 -0.651 3.538 10.280 1.00 0.00 O ATOM 1635 CB LYS A 102 0.338 0.273 9.384 1.00 0.00 C ATOM 1636 CG LYS A 102 1.162 -0.841 10.009 1.00 0.00 C ATOM 1637 CD LYS A 102 2.242 -0.287 10.924 1.00 0.00 C ATOM 1638 CE LYS A 102 3.194 -1.380 11.384 1.00 0.00 C ATOM 1639 NZ LYS A 102 3.693 -1.137 12.766 1.00 0.00 N ATOM 0 H LYS A 102 -1.779 -0.402 10.499 1.00 0.00 H new ATOM 0 HA LYS A 102 0.322 1.417 11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.403 -0.166 8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.990 0.896 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.509 -1.505 10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.621 -1.440 9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.802 0.488 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.780 0.184 11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.686 -2.344 11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.039 -1.438 10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.339 -1.904 13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.200 -0.230 12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.889 -1.107 13.425 1.00 0.00 H new ATOM 1653 N PHE A 103 -1.470 2.314 8.579 1.00 0.00 N ATOM 1654 CA PHE A 103 -1.964 3.470 7.840 1.00 0.00 C ATOM 1655 C PHE A 103 -3.285 3.971 8.415 1.00 0.00 C ATOM 1656 O PHE A 103 -3.465 5.170 8.631 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.140 3.120 6.361 1.00 0.00 C ATOM 1658 CG PHE A 103 -0.843 3.005 5.613 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -0.208 4.136 5.124 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -0.257 1.768 5.400 1.00 0.00 C ATOM 1661 CE1 PHE A 103 0.986 4.035 4.434 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.936 1.659 4.712 1.00 0.00 C ATOM 1663 CZ PHE A 103 1.559 2.794 4.229 1.00 0.00 C ATOM 0 H PHE A 103 -1.643 1.418 8.124 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.226 4.266 7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -2.681 2.177 6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -2.757 3.883 5.886 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.651 5.108 5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.739 0.878 5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.470 4.924 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.381 0.688 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 103 2.492 2.711 3.692 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.210 3.047 8.661 1.00 0.00 N ATOM 1674 CA TYR A 104 -5.517 3.400 9.207 1.00 0.00 C ATOM 1675 C TYR A 104 -5.374 4.192 10.505 1.00 0.00 C ATOM 1676 O TYR A 104 -4.707 3.753 11.443 1.00 0.00 O ATOM 1677 CB TYR A 104 -6.349 2.139 9.453 1.00 0.00 C ATOM 1678 CG TYR A 104 -7.632 2.095 8.654 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -7.611 1.879 7.281 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -8.864 2.271 9.271 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -8.781 1.840 6.548 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -10.037 2.233 8.544 1.00 0.00 C ATOM 1683 CZ TYR A 104 -9.991 2.018 7.183 1.00 0.00 C ATOM 1684 OH TYR A 104 -11.159 1.978 6.456 1.00 0.00 O ATOM 0 H TYR A 104 -4.079 2.050 8.491 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.028 4.028 8.477 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.748 1.264 9.208 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.589 2.074 10.514 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.665 1.739 6.779 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.905 2.440 10.337 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.748 1.671 5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -10.987 2.371 9.039 1.00 0.00 H new ATOM 0 HH TYR A 104 -11.201 1.139 5.951 1.00 0.00 H new ATOM 1694 N GLY A 105 -6.005 5.361 10.549 1.00 0.00 N ATOM 1695 CA GLY A 105 -5.937 6.197 11.733 1.00 0.00 C ATOM 1696 C GLY A 105 -6.908 7.361 11.676 1.00 0.00 C ATOM 1697 O GLY A 105 -8.053 7.243 12.113 1.00 0.00 O ATOM 0 H GLY A 105 -6.562 5.744 9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.151 5.592 12.614 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.922 6.579 11.847 1.00 0.00 H new ATOM 1701 N LYS A 106 -6.450 8.486 11.135 1.00 0.00 N ATOM 1702 CA LYS A 106 -7.283 9.678 11.020 1.00 0.00 C ATOM 1703 C LYS A 106 -7.657 10.217 12.398 1.00 0.00 C ATOM 1704 O LYS A 106 -7.083 11.200 12.867 1.00 0.00 O ATOM 1705 CB LYS A 106 -8.548 9.370 10.214 1.00 0.00 C ATOM 1706 CG LYS A 106 -8.438 9.746 8.745 1.00 0.00 C ATOM 1707 CD LYS A 106 -9.809 9.937 8.115 1.00 0.00 C ATOM 1708 CE LYS A 106 -10.443 11.249 8.549 1.00 0.00 C ATOM 1709 NZ LYS A 106 -11.755 11.481 7.882 1.00 0.00 N ATOM 0 H LYS A 106 -5.505 8.597 10.769 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.708 10.442 10.497 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.769 8.306 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.389 9.904 10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.860 10.664 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.895 8.968 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.718 9.917 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.458 9.108 8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.581 11.245 9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.768 12.072 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.154 12.386 8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.620 11.511 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.409 10.709 8.123 1.00 0.00 H new ATOM 1723 N SER A 107 -8.624 9.570 13.041 1.00 0.00 N ATOM 1724 CA SER A 107 -9.076 9.985 14.363 1.00 0.00 C ATOM 1725 C SER A 107 -9.646 11.399 14.324 1.00 0.00 C ATOM 1726 O SER A 107 -9.476 12.175 15.265 1.00 0.00 O ATOM 1727 CB SER A 107 -7.922 9.915 15.366 1.00 0.00 C ATOM 1728 OG SER A 107 -7.746 8.595 15.850 1.00 0.00 O ATOM 0 H SER A 107 -9.110 8.755 12.667 1.00 0.00 H new ATOM 0 HA SER A 107 -9.865 9.303 14.680 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.002 10.257 14.891 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.120 10.588 16.200 1.00 0.00 H new ATOM 0 HG SER A 107 -7.002 8.577 16.488 1.00 0.00 H new ATOM 1734 N GLY A 108 -10.321 11.728 13.228 1.00 0.00 N ATOM 1735 CA GLY A 108 -10.906 13.049 13.086 1.00 0.00 C ATOM 1736 C GLY A 108 -9.857 14.141 12.980 1.00 0.00 C ATOM 1737 O GLY A 108 -8.675 13.851 12.792 1.00 0.00 O ATOM 0 H GLY A 108 -10.474 11.104 12.436 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.538 13.069 12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.551 13.251 13.941 1.00 0.00 H new ATOM 1741 N PRO A 109 -10.261 15.417 13.098 1.00 0.00 N ATOM 1742 CA PRO A 109 -9.333 16.549 13.013 1.00 0.00 C ATOM 1743 C PRO A 109 -8.402 16.627 14.217 1.00 0.00 C ATOM 1744 O PRO A 109 -8.339 15.702 15.027 1.00 0.00 O ATOM 1745 CB PRO A 109 -10.260 17.767 12.973 1.00 0.00 C ATOM 1746 CG PRO A 109 -11.507 17.315 13.651 1.00 0.00 C ATOM 1747 CD PRO A 109 -11.651 15.855 13.323 1.00 0.00 C ATOM 0 HA PRO A 109 -8.673 16.471 12.149 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.816 18.619 13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.458 18.081 11.948 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.443 17.468 14.728 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -12.370 17.881 13.299 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -12.119 15.304 14.139 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.269 15.701 12.439 1.00 0.00 H new ATOM 1755 N SER A 110 -7.679 17.737 14.329 1.00 0.00 N ATOM 1756 CA SER A 110 -6.751 17.936 15.436 1.00 0.00 C ATOM 1757 C SER A 110 -7.479 18.453 16.672 1.00 0.00 C ATOM 1758 O SER A 110 -7.257 17.970 17.782 1.00 0.00 O ATOM 1759 CB SER A 110 -5.648 18.917 15.032 1.00 0.00 C ATOM 1760 OG SER A 110 -5.338 18.798 13.654 1.00 0.00 O ATOM 0 H SER A 110 -7.718 18.512 13.667 1.00 0.00 H new ATOM 0 HA SER A 110 -6.302 16.973 15.679 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.966 19.937 15.249 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.754 18.729 15.627 1.00 0.00 H new ATOM 0 HG SER A 110 -4.632 19.437 13.421 1.00 0.00 H new ATOM 1766 N SER A 111 -8.349 19.438 16.472 1.00 0.00 N ATOM 1767 CA SER A 111 -9.110 20.020 17.571 1.00 0.00 C ATOM 1768 C SER A 111 -10.324 20.781 17.049 1.00 0.00 C ATOM 1769 O SER A 111 -10.400 21.112 15.866 1.00 0.00 O ATOM 1770 CB SER A 111 -8.222 20.955 18.394 1.00 0.00 C ATOM 1771 OG SER A 111 -8.887 21.386 19.569 1.00 0.00 O ATOM 0 H SER A 111 -8.544 19.849 15.559 1.00 0.00 H new ATOM 0 HA SER A 111 -9.460 19.208 18.208 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.298 20.442 18.662 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.943 21.820 17.792 1.00 0.00 H new ATOM 0 HG SER A 111 -8.298 21.981 20.079 1.00 0.00 H new ATOM 1777 N GLY A 112 -11.271 21.058 17.940 1.00 0.00 N ATOM 1778 CA GLY A 112 -12.468 21.779 17.550 1.00 0.00 C ATOM 1779 C GLY A 112 -12.264 23.281 17.543 1.00 0.00 C ATOM 1780 O GLY A 112 -11.163 23.730 17.159 1.00 0.00 O ATOM 1781 OXT GLY A 112 -13.205 24.011 17.921 1.00 0.00 O ATOM 0 H GLY A 112 -11.230 20.796 18.925 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -12.777 21.453 16.557 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.278 21.529 18.235 1.00 0.00 H new TER 1785 GLY A 112