USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 850 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 38 SER OG : rot 176:sc= 0.111 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -4.8! C(o=-6.9!,f=-4.7!) USER MOD Set 2.1: A 57 HIS : no HE2:sc= -10.3! C(o=-11!,f=-14!) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= -0.87 USER MOD Set 3.1: A 47 GLN : amide:sc= -0.724 K(o=-0.72,f=-9.8!) USER MOD Set 3.2: A 88 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 4.1: A 36 SER OG : rot -142:sc= 0.0608! USER MOD Set 4.2: A 73 TYR OH : rot 165:sc= 0.00687 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.32) USER MOD Single : A 5 HIS : no HD1:sc=-0.00389 X(o=-0.0039,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 7 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.1) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.3) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00682 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.236 K(o=-0.24,f=-3.1!) USER MOD Single : A 26 TYR OH : rot 77:sc= 0.929 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.252 F(o=-0.94,f=-0.25) USER MOD Single : A 31 GLN : amide:sc= -0.675 K(o=-0.67,f=-1.6) USER MOD Single : A 32 SER OG : rot -71:sc= 0.548 USER MOD Single : A 33 TYR OH : rot 39:sc= -3.63! USER MOD Single : A 39 THR OG1 : rot 126:sc= 1.45 USER MOD Single : A 40 THR OG1 : rot 123:sc= 0.0356 USER MOD Single : A 42 THR OG1 : rot -130:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -48:sc= 0.301 USER MOD Single : A 51 SER OG : rot -31:sc= 0.276! USER MOD Single : A 52 MET CE :methyl -171:sc= -11.4! (180deg=-12.2!) USER MOD Single : A 53 THR OG1 : rot 160:sc= -2.34! USER MOD Single : A 55 HIS : no HE2:sc= -7.72! C(o=-7.7!,f=-14!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 61 THR OG1 : rot 50:sc= -0.706 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc=-0.00278 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0599 F(o=-1.2,f=-0.06) USER MOD Single : A 70 THR OG1 : rot 136:sc= 1.01 USER MOD Single : A 76 ASN : amide:sc= -6.13! C(o=-6.1!,f=-13!) USER MOD Single : A 82 SER OG : rot 170:sc= -7.96! USER MOD Single : A 87 THR OG1 : rot 88:sc= -3.32! USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.6!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 101 GLN :FLIP amide:sc= 1.16 F(o=-0.26,f=1.2) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 107 SER OG : rot 180:sc=-5.96e-05 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc=-0.00333 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.0805 USER MOD Single : A 119 GLN : amide:sc= -0.464 K(o=-0.46,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.581 17.293 -8.278 1.00 0.00 N ATOM 2 CA ALA A 1 19.865 17.906 -6.948 1.00 0.00 C ATOM 3 C ALA A 1 19.902 19.433 -7.063 1.00 0.00 C ATOM 4 O ALA A 1 18.990 20.120 -6.648 1.00 0.00 O ATOM 5 CB ALA A 1 21.238 17.365 -6.548 1.00 0.00 C ATOM 0 H1 ALA A 1 19.559 16.257 -8.185 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.660 17.629 -8.626 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.326 17.564 -8.951 1.00 0.00 H new ATOM 0 HA ALA A 1 19.100 17.663 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 1 21.520 17.771 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.197 16.277 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.977 17.661 -7.293 1.00 0.00 H new ATOM 13 N ARG A 2 20.952 19.969 -7.623 1.00 0.00 N ATOM 14 CA ARG A 2 21.050 21.450 -7.763 1.00 0.00 C ATOM 15 C ARG A 2 20.824 22.126 -6.408 1.00 0.00 C ATOM 16 O ARG A 2 20.814 21.483 -5.377 1.00 0.00 O ATOM 17 CB ARG A 2 19.940 21.832 -8.743 1.00 0.00 C ATOM 18 CG ARG A 2 20.544 22.092 -10.125 1.00 0.00 C ATOM 19 CD ARG A 2 19.603 21.551 -11.203 1.00 0.00 C ATOM 20 NE ARG A 2 20.475 21.304 -12.385 1.00 0.00 N ATOM 21 CZ ARG A 2 20.435 22.115 -13.406 1.00 0.00 C ATOM 22 NH1 ARG A 2 19.329 22.258 -14.084 1.00 0.00 N ATOM 23 NH2 ARG A 2 21.503 22.782 -13.749 1.00 0.00 N ATOM 0 H ARG A 2 21.747 19.445 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 2 22.032 21.766 -8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 2 19.202 21.032 -8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 2 19.419 22.722 -8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 2 20.703 23.161 -10.269 1.00 0.00 H new ATOM 0 HG3 ARG A 2 21.519 21.611 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 2 19.113 20.634 -10.875 1.00 0.00 H new ATOM 0 HD3 ARG A 2 18.816 22.268 -11.436 1.00 0.00 H new ATOM 0 HE ARG A 2 21.103 20.501 -12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 2 18.495 21.735 -13.816 1.00 0.00 H new ATOM 0 HH12 ARG A 2 19.299 22.892 -14.882 1.00 0.00 H new ATOM 0 HH21 ARG A 2 22.367 22.669 -13.219 1.00 0.00 H new ATOM 0 HH22 ARG A 2 21.474 23.417 -14.547 1.00 0.00 H new ATOM 37 N ILE A 3 20.639 23.418 -6.403 1.00 0.00 N ATOM 38 CA ILE A 3 20.412 24.134 -5.116 1.00 0.00 C ATOM 39 C ILE A 3 18.912 24.219 -4.820 1.00 0.00 C ATOM 40 O ILE A 3 18.269 25.209 -5.109 1.00 0.00 O ATOM 41 CB ILE A 3 20.997 25.531 -5.330 1.00 0.00 C ATOM 42 CG1 ILE A 3 22.434 25.412 -5.843 1.00 0.00 C ATOM 43 CG2 ILE A 3 20.995 26.293 -4.004 1.00 0.00 C ATOM 44 CD1 ILE A 3 22.814 26.686 -6.601 1.00 0.00 C ATOM 0 H ILE A 3 20.635 24.009 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 3 20.876 23.625 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 3 20.393 26.068 -6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 3 23.117 25.256 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 3 22.527 24.545 -6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 3 21.412 27.289 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.973 26.380 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 3 21.599 25.754 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 3 23.837 26.601 -6.966 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.138 26.823 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 3 22.738 27.544 -5.933 1.00 0.00 H new ATOM 56 N HIS A 4 18.350 23.189 -4.251 1.00 0.00 N ATOM 57 CA HIS A 4 16.891 23.214 -3.942 1.00 0.00 C ATOM 58 C HIS A 4 16.660 22.982 -2.446 1.00 0.00 C ATOM 59 O HIS A 4 15.633 23.340 -1.905 1.00 0.00 O ATOM 60 CB HIS A 4 16.296 22.069 -4.762 1.00 0.00 C ATOM 61 CG HIS A 4 15.045 22.542 -5.449 1.00 0.00 C ATOM 62 ND1 HIS A 4 14.216 21.679 -6.148 1.00 0.00 N ATOM 63 CD2 HIS A 4 14.468 23.783 -5.551 1.00 0.00 C ATOM 64 CE1 HIS A 4 13.193 22.406 -6.635 1.00 0.00 C ATOM 65 NE2 HIS A 4 13.298 23.695 -6.301 1.00 0.00 N ATOM 0 H HIS A 4 18.836 22.332 -3.987 1.00 0.00 H new ATOM 0 HA HIS A 4 16.433 24.173 -4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 4 17.019 21.721 -5.499 1.00 0.00 H new ATOM 0 HB3 HIS A 4 16.070 21.222 -4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 4 14.861 24.690 -5.116 1.00 0.00 H new ATOM 0 HE1 HIS A 4 12.386 21.997 -7.224 1.00 0.00 H new ATOM 0 HE2 HIS A 4 12.659 24.452 -6.543 1.00 0.00 H new ATOM 73 N HIS A 5 17.607 22.387 -1.774 1.00 0.00 N ATOM 74 CA HIS A 5 17.438 22.136 -0.314 1.00 0.00 C ATOM 75 C HIS A 5 18.714 21.522 0.267 1.00 0.00 C ATOM 76 O HIS A 5 18.938 20.331 0.180 1.00 0.00 O ATOM 77 CB HIS A 5 16.272 21.152 -0.213 1.00 0.00 C ATOM 78 CG HIS A 5 15.581 21.331 1.111 1.00 0.00 C ATOM 79 ND1 HIS A 5 14.200 21.321 1.232 1.00 0.00 N ATOM 80 CD2 HIS A 5 16.068 21.526 2.380 1.00 0.00 C ATOM 81 CE1 HIS A 5 13.906 21.506 2.532 1.00 0.00 C ATOM 82 NE2 HIS A 5 15.008 21.637 3.275 1.00 0.00 N ATOM 0 H HIS A 5 18.489 22.064 -2.172 1.00 0.00 H new ATOM 0 HA HIS A 5 17.245 23.052 0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 5 15.568 21.320 -1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 5 16.635 20.129 -0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 5 17.114 21.584 2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 5 12.901 21.544 2.926 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.061 21.786 4.283 1.00 0.00 H new ATOM 90 N HIS A 6 19.551 22.328 0.860 1.00 0.00 N ATOM 91 CA HIS A 6 20.813 21.794 1.447 1.00 0.00 C ATOM 92 C HIS A 6 21.056 22.411 2.827 1.00 0.00 C ATOM 93 O HIS A 6 21.997 23.154 3.029 1.00 0.00 O ATOM 94 CB HIS A 6 21.912 22.213 0.470 1.00 0.00 C ATOM 95 CG HIS A 6 23.044 21.225 0.531 1.00 0.00 C ATOM 96 ND1 HIS A 6 23.930 21.181 1.595 1.00 0.00 N ATOM 97 CD2 HIS A 6 23.447 20.238 -0.334 1.00 0.00 C ATOM 98 CE1 HIS A 6 24.815 20.199 1.345 1.00 0.00 C ATOM 99 NE2 HIS A 6 24.566 19.591 0.182 1.00 0.00 N ATOM 0 H HIS A 6 19.416 23.334 0.964 1.00 0.00 H new ATOM 0 HA HIS A 6 20.781 20.713 1.584 1.00 0.00 H new ATOM 0 HB2 HIS A 6 21.513 22.262 -0.543 1.00 0.00 H new ATOM 0 HB3 HIS A 6 22.273 23.211 0.719 1.00 0.00 H new ATOM 0 HD2 HIS A 6 22.968 20.000 -1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 6 25.628 19.934 2.005 1.00 0.00 H new ATOM 0 HE2 HIS A 6 25.084 18.819 -0.237 1.00 0.00 H new ATOM 107 N HIS A 7 20.215 22.110 3.778 1.00 0.00 N ATOM 108 CA HIS A 7 20.398 22.679 5.144 1.00 0.00 C ATOM 109 C HIS A 7 21.343 21.795 5.962 1.00 0.00 C ATOM 110 O HIS A 7 20.931 21.105 6.873 1.00 0.00 O ATOM 111 CB HIS A 7 18.999 22.683 5.762 1.00 0.00 C ATOM 112 CG HIS A 7 18.933 23.724 6.846 1.00 0.00 C ATOM 113 ND1 HIS A 7 17.990 23.677 7.860 1.00 0.00 N ATOM 114 CD2 HIS A 7 19.685 24.847 7.085 1.00 0.00 C ATOM 115 CE1 HIS A 7 18.197 24.742 8.656 1.00 0.00 C ATOM 116 NE2 HIS A 7 19.219 25.489 8.229 1.00 0.00 N ATOM 0 H HIS A 7 19.409 21.495 3.669 1.00 0.00 H new ATOM 0 HA HIS A 7 20.836 23.677 5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 7 18.252 22.892 4.996 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.768 21.700 6.172 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.513 25.182 6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 7 17.608 24.966 9.533 1.00 0.00 H new ATOM 0 HE2 HIS A 7 19.580 26.345 8.650 1.00 0.00 H new ATOM 124 N HIS A 8 22.609 21.811 5.645 1.00 0.00 N ATOM 125 CA HIS A 8 23.577 20.970 6.406 1.00 0.00 C ATOM 126 C HIS A 8 23.062 19.532 6.501 1.00 0.00 C ATOM 127 O HIS A 8 23.131 18.904 7.539 1.00 0.00 O ATOM 128 CB HIS A 8 23.649 21.607 7.794 1.00 0.00 C ATOM 129 CG HIS A 8 24.412 22.900 7.709 1.00 0.00 C ATOM 130 ND1 HIS A 8 25.796 22.938 7.654 1.00 0.00 N ATOM 131 CD2 HIS A 8 23.998 24.208 7.666 1.00 0.00 C ATOM 132 CE1 HIS A 8 26.163 24.231 7.580 1.00 0.00 C ATOM 133 NE2 HIS A 8 25.106 25.047 7.584 1.00 0.00 N ATOM 0 H HIS A 8 23.015 22.369 4.893 1.00 0.00 H new ATOM 0 HA HIS A 8 24.555 20.927 5.927 1.00 0.00 H new ATOM 0 HB2 HIS A 8 22.644 21.789 8.176 1.00 0.00 H new ATOM 0 HB3 HIS A 8 24.138 20.928 8.493 1.00 0.00 H new ATOM 0 HD2 HIS A 8 22.969 24.536 7.692 1.00 0.00 H new ATOM 0 HE1 HIS A 8 27.188 24.567 7.524 1.00 0.00 H new ATOM 0 HE2 HIS A 8 25.110 26.066 7.537 1.00 0.00 H new ATOM 141 N HIS A 9 22.547 19.006 5.424 1.00 0.00 N ATOM 142 CA HIS A 9 22.029 17.609 5.451 1.00 0.00 C ATOM 143 C HIS A 9 22.639 16.796 4.307 1.00 0.00 C ATOM 144 O HIS A 9 22.253 16.930 3.163 1.00 0.00 O ATOM 145 CB HIS A 9 20.517 17.742 5.267 1.00 0.00 C ATOM 146 CG HIS A 9 19.832 17.563 6.593 1.00 0.00 C ATOM 147 ND1 HIS A 9 20.038 16.445 7.386 1.00 0.00 N ATOM 148 CD2 HIS A 9 18.942 18.351 7.280 1.00 0.00 C ATOM 149 CE1 HIS A 9 19.286 16.589 8.493 1.00 0.00 C ATOM 150 NE2 HIS A 9 18.598 17.734 8.479 1.00 0.00 N ATOM 0 H HIS A 9 22.462 19.483 4.526 1.00 0.00 H new ATOM 0 HA HIS A 9 22.283 17.093 6.377 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.275 18.720 4.850 1.00 0.00 H new ATOM 0 HB3 HIS A 9 20.159 16.996 4.557 1.00 0.00 H new ATOM 0 HD2 HIS A 9 18.566 19.305 6.941 1.00 0.00 H new ATOM 0 HE1 HIS A 9 19.244 15.867 9.295 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.958 18.081 9.193 1.00 0.00 H new ATOM 158 N ILE A 10 23.588 15.953 4.607 1.00 0.00 N ATOM 159 CA ILE A 10 24.221 15.129 3.538 1.00 0.00 C ATOM 160 C ILE A 10 24.350 13.676 4.004 1.00 0.00 C ATOM 161 O ILE A 10 25.270 12.973 3.636 1.00 0.00 O ATOM 162 CB ILE A 10 25.601 15.754 3.319 1.00 0.00 C ATOM 163 CG1 ILE A 10 26.283 15.079 2.125 1.00 0.00 C ATOM 164 CG2 ILE A 10 26.459 15.561 4.572 1.00 0.00 C ATOM 165 CD1 ILE A 10 25.323 15.058 0.934 1.00 0.00 C ATOM 0 H ILE A 10 23.953 15.799 5.547 1.00 0.00 H new ATOM 0 HA ILE A 10 23.634 15.116 2.620 1.00 0.00 H new ATOM 0 HB ILE A 10 25.487 16.820 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 10 27.194 15.616 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 10 26.576 14.063 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 10 27.441 16.007 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 10 25.975 16.042 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.573 14.496 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.808 14.578 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 10 24.424 14.502 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 10 25.052 16.079 0.667 1.00 0.00 H new ATOM 177 N GLU A 11 23.435 13.224 4.817 1.00 0.00 N ATOM 178 CA GLU A 11 23.503 11.820 5.314 1.00 0.00 C ATOM 179 C GLU A 11 22.641 10.904 4.442 1.00 0.00 C ATOM 180 O GLU A 11 21.563 10.496 4.829 1.00 0.00 O ATOM 181 CB GLU A 11 22.950 11.877 6.738 1.00 0.00 C ATOM 182 CG GLU A 11 24.069 12.267 7.705 1.00 0.00 C ATOM 183 CD GLU A 11 24.007 11.375 8.945 1.00 0.00 C ATOM 184 OE1 GLU A 11 24.225 10.183 8.805 1.00 0.00 O ATOM 185 OE2 GLU A 11 23.743 11.898 10.015 1.00 0.00 O ATOM 0 H GLU A 11 22.642 13.767 5.159 1.00 0.00 H new ATOM 0 HA GLU A 11 24.517 11.422 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.137 12.601 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.535 10.909 7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.038 12.163 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.968 13.314 7.992 1.00 0.00 H new ATOM 192 N GLY A 12 23.107 10.575 3.269 1.00 0.00 N ATOM 193 CA GLY A 12 22.316 9.684 2.375 1.00 0.00 C ATOM 194 C GLY A 12 23.238 9.081 1.314 1.00 0.00 C ATOM 195 O GLY A 12 24.039 9.767 0.712 1.00 0.00 O ATOM 0 H GLY A 12 24.002 10.885 2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 12 21.846 8.891 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 12 21.514 10.248 1.898 1.00 0.00 H new ATOM 199 N ARG A 13 23.132 7.801 1.079 1.00 0.00 N ATOM 200 CA ARG A 13 24.006 7.158 0.056 1.00 0.00 C ATOM 201 C ARG A 13 23.232 6.953 -1.249 1.00 0.00 C ATOM 202 O ARG A 13 23.711 7.263 -2.321 1.00 0.00 O ATOM 203 CB ARG A 13 24.401 5.811 0.663 1.00 0.00 C ATOM 204 CG ARG A 13 25.434 6.031 1.769 1.00 0.00 C ATOM 205 CD ARG A 13 25.961 4.678 2.254 1.00 0.00 C ATOM 206 NE ARG A 13 25.020 4.261 3.331 1.00 0.00 N ATOM 207 CZ ARG A 13 25.407 3.410 4.242 1.00 0.00 C ATOM 208 NH1 ARG A 13 26.539 3.592 4.866 1.00 0.00 N ATOM 209 NH2 ARG A 13 24.663 2.377 4.530 1.00 0.00 N ATOM 0 H ARG A 13 22.480 7.174 1.550 1.00 0.00 H new ATOM 0 HA ARG A 13 24.877 7.768 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.521 5.311 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 13 24.812 5.159 -0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.257 6.641 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 13 24.983 6.576 2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 13 25.982 3.949 1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 13 26.980 4.764 2.632 1.00 0.00 H new ATOM 0 HE ARG A 13 24.074 4.640 3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 13 27.121 4.399 4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 13 26.842 2.927 5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 13 23.778 2.234 4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 13 24.966 1.713 5.242 1.00 0.00 H new ATOM 223 N ALA A 14 22.038 6.431 -1.166 1.00 0.00 N ATOM 224 CA ALA A 14 21.234 6.204 -2.401 1.00 0.00 C ATOM 225 C ALA A 14 20.603 7.517 -2.874 1.00 0.00 C ATOM 226 O ALA A 14 20.233 8.353 -2.074 1.00 0.00 O ATOM 227 CB ALA A 14 20.150 5.207 -1.990 1.00 0.00 C ATOM 0 H ALA A 14 21.585 6.152 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 14 21.842 5.830 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 14 19.514 4.987 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 14 20.616 4.286 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.546 5.635 -1.190 1.00 0.00 H new ATOM 233 N PRO A 15 20.502 7.651 -4.169 1.00 0.00 N ATOM 234 CA PRO A 15 19.909 8.872 -4.768 1.00 0.00 C ATOM 235 C PRO A 15 18.391 8.890 -4.559 1.00 0.00 C ATOM 236 O PRO A 15 17.809 9.913 -4.260 1.00 0.00 O ATOM 237 CB PRO A 15 20.252 8.746 -6.250 1.00 0.00 C ATOM 238 CG PRO A 15 20.432 7.279 -6.482 1.00 0.00 C ATOM 239 CD PRO A 15 20.927 6.685 -5.188 1.00 0.00 C ATOM 0 HA PRO A 15 20.286 9.793 -4.324 1.00 0.00 H new ATOM 0 HB2 PRO A 15 19.456 9.150 -6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 15 21.160 9.298 -6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 15 19.491 6.818 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 15 21.146 7.101 -7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 15 20.495 5.700 -5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 15 22.010 6.561 -5.194 1.00 0.00 H new ATOM 247 N THR A 16 17.746 7.766 -4.714 1.00 0.00 N ATOM 248 CA THR A 16 16.267 7.722 -4.523 1.00 0.00 C ATOM 249 C THR A 16 15.811 6.284 -4.261 1.00 0.00 C ATOM 250 O THR A 16 15.404 5.578 -5.162 1.00 0.00 O ATOM 251 CB THR A 16 15.683 8.242 -5.837 1.00 0.00 C ATOM 252 OG1 THR A 16 14.290 7.965 -5.878 1.00 0.00 O ATOM 253 CG2 THR A 16 16.377 7.555 -7.014 1.00 0.00 C ATOM 0 H THR A 16 18.178 6.877 -4.964 1.00 0.00 H new ATOM 0 HA THR A 16 15.941 8.317 -3.670 1.00 0.00 H new ATOM 0 HB THR A 16 15.841 9.318 -5.904 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.915 8.299 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.960 7.927 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 16 17.445 7.770 -6.982 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.222 6.478 -6.950 1.00 0.00 H new ATOM 261 N GLU A 17 15.882 5.845 -3.032 1.00 0.00 N ATOM 262 CA GLU A 17 15.460 4.453 -2.704 1.00 0.00 C ATOM 263 C GLU A 17 14.190 4.078 -3.473 1.00 0.00 C ATOM 264 O GLU A 17 13.214 4.802 -3.471 1.00 0.00 O ATOM 265 CB GLU A 17 15.187 4.468 -1.201 1.00 0.00 C ATOM 266 CG GLU A 17 16.514 4.510 -0.441 1.00 0.00 C ATOM 267 CD GLU A 17 16.354 3.801 0.905 1.00 0.00 C ATOM 268 OE1 GLU A 17 15.246 3.390 1.208 1.00 0.00 O ATOM 269 OE2 GLU A 17 17.342 3.682 1.610 1.00 0.00 O ATOM 0 H GLU A 17 16.215 6.393 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 17 16.220 3.721 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.579 5.334 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.620 3.582 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.296 4.028 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.823 5.543 -0.285 1.00 0.00 H new ATOM 276 N GLN A 18 14.198 2.951 -4.131 1.00 0.00 N ATOM 277 CA GLN A 18 12.998 2.525 -4.901 1.00 0.00 C ATOM 278 C GLN A 18 11.745 2.617 -4.025 1.00 0.00 C ATOM 279 O GLN A 18 10.638 2.714 -4.516 1.00 0.00 O ATOM 280 CB GLN A 18 13.273 1.072 -5.289 1.00 0.00 C ATOM 281 CG GLN A 18 13.902 1.024 -6.683 1.00 0.00 C ATOM 282 CD GLN A 18 14.221 -0.427 -7.049 1.00 0.00 C ATOM 283 OE1 GLN A 18 13.340 -1.181 -7.414 1.00 0.00 O ATOM 284 NE2 GLN A 18 15.451 -0.853 -6.966 1.00 0.00 N ATOM 0 H GLN A 18 14.987 2.306 -4.168 1.00 0.00 H new ATOM 0 HA GLN A 18 12.823 3.155 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.941 0.611 -4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.345 0.500 -5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.220 1.454 -7.416 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.812 1.624 -6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.190 -0.220 -6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.674 -1.819 -7.207 1.00 0.00 H new ATOM 293 N SER A 19 11.911 2.583 -2.730 1.00 0.00 N ATOM 294 CA SER A 19 10.730 2.665 -1.823 1.00 0.00 C ATOM 295 C SER A 19 9.988 3.987 -2.032 1.00 0.00 C ATOM 296 O SER A 19 10.542 4.936 -2.549 1.00 0.00 O ATOM 297 CB SER A 19 11.310 2.594 -0.411 1.00 0.00 C ATOM 298 OG SER A 19 11.658 1.249 -0.113 1.00 0.00 O ATOM 0 H SER A 19 12.813 2.502 -2.261 1.00 0.00 H new ATOM 0 HA SER A 19 10.011 1.867 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.189 3.235 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.582 2.962 0.312 1.00 0.00 H new ATOM 0 HG SER A 19 12.032 1.201 0.792 1.00 0.00 H new ATOM 304 N PRO A 20 8.751 3.999 -1.617 1.00 0.00 N ATOM 305 CA PRO A 20 7.913 5.214 -1.755 1.00 0.00 C ATOM 306 C PRO A 20 8.349 6.281 -0.747 1.00 0.00 C ATOM 307 O PRO A 20 9.334 6.127 -0.053 1.00 0.00 O ATOM 308 CB PRO A 20 6.506 4.716 -1.440 1.00 0.00 C ATOM 309 CG PRO A 20 6.706 3.504 -0.586 1.00 0.00 C ATOM 310 CD PRO A 20 8.023 2.893 -0.987 1.00 0.00 C ATOM 0 HA PRO A 20 7.987 5.676 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.926 5.476 -0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.961 4.471 -2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.712 3.774 0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.892 2.793 -0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.561 2.502 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.883 2.062 -1.678 1.00 0.00 H new ATOM 318 N GLY A 21 7.622 7.360 -0.663 1.00 0.00 N ATOM 319 CA GLY A 21 7.992 8.436 0.299 1.00 0.00 C ATOM 320 C GLY A 21 8.102 7.850 1.707 1.00 0.00 C ATOM 321 O GLY A 21 9.154 7.408 2.126 1.00 0.00 O ATOM 0 H GLY A 21 6.787 7.544 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.940 8.888 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.243 9.227 0.281 1.00 0.00 H new ATOM 325 N VAL A 22 7.025 7.845 2.444 1.00 0.00 N ATOM 326 CA VAL A 22 7.069 7.290 3.827 1.00 0.00 C ATOM 327 C VAL A 22 5.694 6.743 4.221 1.00 0.00 C ATOM 328 O VAL A 22 4.736 7.479 4.350 1.00 0.00 O ATOM 329 CB VAL A 22 7.448 8.475 4.715 1.00 0.00 C ATOM 330 CG1 VAL A 22 6.456 9.617 4.491 1.00 0.00 C ATOM 331 CG2 VAL A 22 7.403 8.045 6.183 1.00 0.00 C ATOM 0 H VAL A 22 6.116 8.201 2.148 1.00 0.00 H new ATOM 0 HA VAL A 22 7.777 6.466 3.920 1.00 0.00 H new ATOM 0 HB VAL A 22 8.454 8.811 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.726 10.462 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.484 9.923 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.451 9.280 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.673 8.889 6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.396 7.710 6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.108 7.229 6.345 1.00 0.00 H new ATOM 341 N GLN A 23 5.589 5.457 4.413 1.00 0.00 N ATOM 342 CA GLN A 23 4.277 4.864 4.800 1.00 0.00 C ATOM 343 C GLN A 23 3.185 5.302 3.819 1.00 0.00 C ATOM 344 O GLN A 23 2.660 6.394 3.906 1.00 0.00 O ATOM 345 CB GLN A 23 3.991 5.410 6.199 1.00 0.00 C ATOM 346 CG GLN A 23 4.347 4.346 7.240 1.00 0.00 C ATOM 347 CD GLN A 23 4.806 5.025 8.532 1.00 0.00 C ATOM 348 OE1 GLN A 23 5.089 6.206 8.544 1.00 0.00 O ATOM 349 NE2 GLN A 23 4.893 4.322 9.628 1.00 0.00 N ATOM 0 H GLN A 23 6.355 4.790 4.319 1.00 0.00 H new ATOM 0 HA GLN A 23 4.298 3.774 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.572 6.315 6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.940 5.684 6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.482 3.713 7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.136 3.698 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.655 3.330 9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.199 4.764 10.495 1.00 0.00 H new ATOM 358 N ASP A 24 2.838 4.454 2.889 1.00 0.00 N ATOM 359 CA ASP A 24 1.778 4.816 1.905 1.00 0.00 C ATOM 360 C ASP A 24 0.488 5.186 2.631 1.00 0.00 C ATOM 361 O ASP A 24 0.493 5.543 3.792 1.00 0.00 O ATOM 362 CB ASP A 24 1.577 3.560 1.059 1.00 0.00 C ATOM 363 CG ASP A 24 1.353 3.958 -0.401 1.00 0.00 C ATOM 364 OD1 ASP A 24 2.260 4.526 -0.985 1.00 0.00 O ATOM 365 OD2 ASP A 24 0.277 3.687 -0.910 1.00 0.00 O ATOM 0 H ASP A 24 3.243 3.526 2.768 1.00 0.00 H new ATOM 0 HA ASP A 24 2.056 5.676 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.449 2.911 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.722 2.993 1.428 1.00 0.00 H new ATOM 370 N CYS A 25 -0.617 5.102 1.953 1.00 0.00 N ATOM 371 CA CYS A 25 -1.915 5.450 2.606 1.00 0.00 C ATOM 372 C CYS A 25 -3.103 4.855 1.840 1.00 0.00 C ATOM 373 O CYS A 25 -2.941 4.113 0.891 1.00 0.00 O ATOM 374 CB CYS A 25 -1.965 6.987 2.614 1.00 0.00 C ATOM 375 SG CYS A 25 -2.599 7.617 1.035 1.00 0.00 S ATOM 0 H CYS A 25 -0.684 4.809 0.978 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.982 5.040 3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.601 7.331 3.430 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.968 7.387 2.797 1.00 0.00 H new ATOM 380 N TYR A 26 -4.296 5.188 2.254 1.00 0.00 N ATOM 381 CA TYR A 26 -5.511 4.662 1.567 1.00 0.00 C ATOM 382 C TYR A 26 -6.700 5.585 1.842 1.00 0.00 C ATOM 383 O TYR A 26 -6.714 6.321 2.809 1.00 0.00 O ATOM 384 CB TYR A 26 -5.747 3.276 2.169 1.00 0.00 C ATOM 385 CG TYR A 26 -6.122 3.405 3.626 1.00 0.00 C ATOM 386 CD1 TYR A 26 -7.423 3.780 3.984 1.00 0.00 C ATOM 387 CD2 TYR A 26 -5.171 3.143 4.620 1.00 0.00 C ATOM 388 CE1 TYR A 26 -7.772 3.892 5.336 1.00 0.00 C ATOM 389 CE2 TYR A 26 -5.520 3.254 5.971 1.00 0.00 C ATOM 390 CZ TYR A 26 -6.821 3.629 6.329 1.00 0.00 C ATOM 391 OH TYR A 26 -7.166 3.738 7.660 1.00 0.00 O ATOM 0 H TYR A 26 -4.482 5.806 3.044 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.389 4.610 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.540 2.764 1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.848 2.668 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.157 3.983 3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.167 2.855 4.344 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.775 4.181 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.786 3.051 6.737 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.683 2.950 7.929 1.00 0.00 H new ATOM 401 N HIS A 27 -7.694 5.559 1.000 1.00 0.00 N ATOM 402 CA HIS A 27 -8.873 6.445 1.216 1.00 0.00 C ATOM 403 C HIS A 27 -10.017 5.656 1.859 1.00 0.00 C ATOM 404 O HIS A 27 -10.093 4.449 1.742 1.00 0.00 O ATOM 405 CB HIS A 27 -9.263 6.927 -0.184 1.00 0.00 C ATOM 406 CG HIS A 27 -10.651 7.507 -0.154 1.00 0.00 C ATOM 407 ND1 HIS A 27 -11.889 6.930 -0.292 1.00 0.00 N flip ATOM 408 CD2 HIS A 27 -10.883 8.860 0.035 1.00 0.00 C flip ATOM 409 CE1 HIS A 27 -12.875 7.907 -0.190 1.00 0.00 C flip ATOM 410 NE2 HIS A 27 -12.215 9.051 0.006 1.00 0.00 N flip ATOM 0 H HIS A 27 -7.742 4.964 0.173 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.652 7.277 1.885 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.553 7.677 -0.531 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.221 6.097 -0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.132 9.622 0.179 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.944 7.769 -0.255 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.665 9.959 0.120 1.00 0.00 H new ATOM 418 N GLY A 28 -10.904 6.326 2.543 1.00 0.00 N ATOM 419 CA GLY A 28 -12.034 5.607 3.196 1.00 0.00 C ATOM 420 C GLY A 28 -11.487 4.395 3.946 1.00 0.00 C ATOM 421 O GLY A 28 -10.701 4.525 4.863 1.00 0.00 O ATOM 0 H GLY A 28 -10.895 7.337 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.555 6.272 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.761 5.290 2.448 1.00 0.00 H new ATOM 425 N ASP A 29 -11.885 3.216 3.560 1.00 0.00 N ATOM 426 CA ASP A 29 -11.371 1.999 4.249 1.00 0.00 C ATOM 427 C ASP A 29 -10.633 1.121 3.251 1.00 0.00 C ATOM 428 O ASP A 29 -11.023 0.003 2.980 1.00 0.00 O ATOM 429 CB ASP A 29 -12.607 1.286 4.800 1.00 0.00 C ATOM 430 CG ASP A 29 -12.945 1.844 6.185 1.00 0.00 C ATOM 431 OD1 ASP A 29 -12.413 2.887 6.527 1.00 0.00 O ATOM 432 OD2 ASP A 29 -13.728 1.217 6.879 1.00 0.00 O ATOM 0 H ASP A 29 -12.542 3.042 2.800 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.668 2.238 5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.451 1.425 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.423 0.214 4.864 1.00 0.00 H new ATOM 437 N GLY A 30 -9.581 1.634 2.675 1.00 0.00 N ATOM 438 CA GLY A 30 -8.838 0.841 1.665 1.00 0.00 C ATOM 439 C GLY A 30 -9.770 0.588 0.483 1.00 0.00 C ATOM 440 O GLY A 30 -9.476 -0.191 -0.402 1.00 0.00 O ATOM 0 H GLY A 30 -9.207 2.565 2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.947 1.378 1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.502 -0.103 2.094 1.00 0.00 H new ATOM 444 N GLN A 31 -10.903 1.245 0.466 1.00 0.00 N ATOM 445 CA GLN A 31 -11.865 1.043 -0.654 1.00 0.00 C ATOM 446 C GLN A 31 -11.477 1.908 -1.856 1.00 0.00 C ATOM 447 O GLN A 31 -11.136 3.066 -1.717 1.00 0.00 O ATOM 448 CB GLN A 31 -13.218 1.483 -0.093 1.00 0.00 C ATOM 449 CG GLN A 31 -13.704 0.456 0.931 1.00 0.00 C ATOM 450 CD GLN A 31 -13.999 -0.869 0.225 1.00 0.00 C ATOM 451 OE1 GLN A 31 -13.193 -1.777 0.251 1.00 0.00 O ATOM 452 NE2 GLN A 31 -15.130 -1.019 -0.411 1.00 0.00 N ATOM 0 H GLN A 31 -11.201 1.911 1.179 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.880 0.010 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.128 2.464 0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.944 1.579 -0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.947 0.309 1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.601 0.822 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.808 -0.257 -0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.336 -1.898 -0.885 1.00 0.00 H new ATOM 461 N SER A 32 -11.534 1.354 -3.036 1.00 0.00 N ATOM 462 CA SER A 32 -11.178 2.139 -4.253 1.00 0.00 C ATOM 463 C SER A 32 -9.681 2.460 -4.270 1.00 0.00 C ATOM 464 O SER A 32 -9.215 3.227 -5.089 1.00 0.00 O ATOM 465 CB SER A 32 -12.005 3.423 -4.153 1.00 0.00 C ATOM 466 OG SER A 32 -11.140 4.529 -3.926 1.00 0.00 O ATOM 0 H SER A 32 -11.813 0.388 -3.211 1.00 0.00 H new ATOM 0 HA SER A 32 -11.387 1.589 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.573 3.575 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.728 3.340 -3.341 1.00 0.00 H new ATOM 0 HG SER A 32 -10.779 4.481 -3.016 1.00 0.00 H new ATOM 472 N TYR A 33 -8.923 1.883 -3.376 1.00 0.00 N ATOM 473 CA TYR A 33 -7.458 2.163 -3.353 1.00 0.00 C ATOM 474 C TYR A 33 -6.898 2.170 -4.777 1.00 0.00 C ATOM 475 O TYR A 33 -6.550 1.141 -5.323 1.00 0.00 O ATOM 476 CB TYR A 33 -6.844 1.019 -2.543 1.00 0.00 C ATOM 477 CG TYR A 33 -5.369 1.282 -2.309 1.00 0.00 C ATOM 478 CD1 TYR A 33 -4.802 2.515 -2.662 1.00 0.00 C ATOM 479 CD2 TYR A 33 -4.569 0.288 -1.732 1.00 0.00 C ATOM 480 CE1 TYR A 33 -3.441 2.752 -2.439 1.00 0.00 C ATOM 481 CE2 TYR A 33 -3.207 0.525 -1.510 1.00 0.00 C ATOM 482 CZ TYR A 33 -2.643 1.758 -1.862 1.00 0.00 C ATOM 483 OH TYR A 33 -1.302 1.993 -1.641 1.00 0.00 O ATOM 0 H TYR A 33 -9.253 1.232 -2.663 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.233 3.136 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.360 0.921 -1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.974 0.076 -3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.417 3.283 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.003 -0.662 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.007 3.702 -2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.591 -0.243 -1.067 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.177 2.917 -1.339 1.00 0.00 H new ATOM 493 N ARG A 34 -6.811 3.322 -5.383 1.00 0.00 N ATOM 494 CA ARG A 34 -6.277 3.395 -6.773 1.00 0.00 C ATOM 495 C ARG A 34 -4.766 3.151 -6.775 1.00 0.00 C ATOM 496 O ARG A 34 -4.018 3.825 -6.096 1.00 0.00 O ATOM 497 CB ARG A 34 -6.590 4.817 -7.241 1.00 0.00 C ATOM 498 CG ARG A 34 -7.016 4.791 -8.710 1.00 0.00 C ATOM 499 CD ARG A 34 -7.158 6.225 -9.227 1.00 0.00 C ATOM 500 NE ARG A 34 -6.293 6.284 -10.438 1.00 0.00 N ATOM 501 CZ ARG A 34 -5.812 7.427 -10.844 1.00 0.00 C ATOM 502 NH1 ARG A 34 -5.360 8.291 -9.976 1.00 0.00 N ATOM 503 NH2 ARG A 34 -5.780 7.706 -12.118 1.00 0.00 N ATOM 0 H ARG A 34 -7.086 4.216 -4.976 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.720 2.642 -7.425 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.384 5.246 -6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.713 5.453 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.279 4.251 -9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.962 4.260 -8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.195 6.456 -9.471 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.838 6.949 -8.477 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.076 5.429 -10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.383 8.073 -8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.984 9.184 -10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.131 7.031 -12.797 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.404 8.600 -12.435 1.00 0.00 H new ATOM 517 N GLY A 35 -4.312 2.192 -7.534 1.00 0.00 N ATOM 518 CA GLY A 35 -2.850 1.909 -7.579 1.00 0.00 C ATOM 519 C GLY A 35 -2.596 0.455 -7.180 1.00 0.00 C ATOM 520 O GLY A 35 -3.451 -0.206 -6.623 1.00 0.00 O ATOM 0 H GLY A 35 -4.889 1.593 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.464 2.094 -8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.319 2.580 -6.904 1.00 0.00 H new ATOM 524 N SER A 36 -1.423 -0.047 -7.455 1.00 0.00 N ATOM 525 CA SER A 36 -1.105 -1.456 -7.088 1.00 0.00 C ATOM 526 C SER A 36 -0.103 -1.475 -5.936 1.00 0.00 C ATOM 527 O SER A 36 1.058 -1.785 -6.116 1.00 0.00 O ATOM 528 CB SER A 36 -0.484 -2.063 -8.344 1.00 0.00 C ATOM 529 OG SER A 36 -1.034 -1.434 -9.493 1.00 0.00 O ATOM 0 H SER A 36 -0.669 0.460 -7.919 1.00 0.00 H new ATOM 0 HA SER A 36 -1.985 -2.011 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.598 -1.933 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.676 -3.136 -8.376 1.00 0.00 H new ATOM 0 HG SER A 36 -1.155 -2.098 -10.203 1.00 0.00 H new ATOM 535 N PHE A 37 -0.538 -1.143 -4.755 1.00 0.00 N ATOM 536 CA PHE A 37 0.398 -1.140 -3.599 1.00 0.00 C ATOM 537 C PHE A 37 0.480 -2.527 -2.977 1.00 0.00 C ATOM 538 O PHE A 37 0.213 -2.709 -1.806 1.00 0.00 O ATOM 539 CB PHE A 37 -0.186 -0.142 -2.602 1.00 0.00 C ATOM 540 CG PHE A 37 0.854 0.173 -1.555 1.00 0.00 C ATOM 541 CD1 PHE A 37 2.153 0.519 -1.945 1.00 0.00 C ATOM 542 CD2 PHE A 37 0.522 0.115 -0.197 1.00 0.00 C ATOM 543 CE1 PHE A 37 3.121 0.809 -0.976 1.00 0.00 C ATOM 544 CE2 PHE A 37 1.490 0.405 0.772 1.00 0.00 C ATOM 545 CZ PHE A 37 2.790 0.752 0.382 1.00 0.00 C ATOM 0 H PHE A 37 -1.498 -0.874 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 37 1.409 -0.866 -3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.490 0.770 -3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.078 -0.557 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.409 0.562 -2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.480 -0.153 0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.123 1.077 -1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.234 0.361 1.820 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.537 0.975 1.130 1.00 0.00 H new ATOM 555 N SER A 38 0.860 -3.510 -3.742 1.00 0.00 N ATOM 556 CA SER A 38 0.974 -4.886 -3.187 1.00 0.00 C ATOM 557 C SER A 38 2.107 -4.970 -2.151 1.00 0.00 C ATOM 558 O SER A 38 2.917 -5.875 -2.186 1.00 0.00 O ATOM 559 CB SER A 38 1.302 -5.750 -4.397 1.00 0.00 C ATOM 560 OG SER A 38 2.030 -4.979 -5.342 1.00 0.00 O ATOM 0 H SER A 38 1.097 -3.420 -4.730 1.00 0.00 H new ATOM 0 HA SER A 38 0.065 -5.200 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.887 -6.617 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.384 -6.127 -4.848 1.00 0.00 H new ATOM 0 HG SER A 38 2.294 -5.548 -6.095 1.00 0.00 H new ATOM 566 N THR A 39 2.169 -4.048 -1.226 1.00 0.00 N ATOM 567 CA THR A 39 3.243 -4.096 -0.195 1.00 0.00 C ATOM 568 C THR A 39 2.614 -4.266 1.188 1.00 0.00 C ATOM 569 O THR A 39 1.725 -3.531 1.569 1.00 0.00 O ATOM 570 CB THR A 39 3.962 -2.751 -0.301 1.00 0.00 C ATOM 571 OG1 THR A 39 3.800 -2.232 -1.616 1.00 0.00 O ATOM 572 CG2 THR A 39 5.450 -2.943 -0.001 1.00 0.00 C ATOM 0 H THR A 39 1.521 -3.264 -1.141 1.00 0.00 H new ATOM 0 HA THR A 39 3.931 -4.928 -0.344 1.00 0.00 H new ATOM 0 HB THR A 39 3.538 -2.051 0.419 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.428 -1.327 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.963 -1.984 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.570 -3.340 1.007 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.879 -3.642 -0.720 1.00 0.00 H new ATOM 580 N THR A 40 3.057 -5.236 1.936 1.00 0.00 N ATOM 581 CA THR A 40 2.469 -5.458 3.287 1.00 0.00 C ATOM 582 C THR A 40 3.071 -4.492 4.308 1.00 0.00 C ATOM 583 O THR A 40 4.200 -4.061 4.185 1.00 0.00 O ATOM 584 CB THR A 40 2.827 -6.903 3.640 1.00 0.00 C ATOM 585 OG1 THR A 40 4.224 -7.097 3.471 1.00 0.00 O ATOM 586 CG2 THR A 40 2.064 -7.862 2.725 1.00 0.00 C ATOM 0 H THR A 40 3.799 -5.884 1.672 1.00 0.00 H new ATOM 0 HA THR A 40 1.393 -5.286 3.296 1.00 0.00 H new ATOM 0 HB THR A 40 2.553 -7.101 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.615 -7.411 4.313 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.322 -8.890 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.992 -7.714 2.855 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.334 -7.667 1.687 1.00 0.00 H new ATOM 594 N VAL A 41 2.318 -4.153 5.319 1.00 0.00 N ATOM 595 CA VAL A 41 2.834 -3.219 6.358 1.00 0.00 C ATOM 596 C VAL A 41 4.209 -3.683 6.846 1.00 0.00 C ATOM 597 O VAL A 41 5.021 -2.894 7.288 1.00 0.00 O ATOM 598 CB VAL A 41 1.806 -3.288 7.488 1.00 0.00 C ATOM 599 CG1 VAL A 41 2.412 -2.720 8.772 1.00 0.00 C ATOM 600 CG2 VAL A 41 0.571 -2.470 7.103 1.00 0.00 C ATOM 0 H VAL A 41 1.365 -4.484 5.470 1.00 0.00 H new ATOM 0 HA VAL A 41 2.960 -2.203 5.983 1.00 0.00 H new ATOM 0 HB VAL A 41 1.520 -4.327 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.677 -2.771 9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.291 -3.302 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.701 -1.682 8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.163 -2.518 7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.859 -1.432 6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.136 -2.876 6.190 1.00 0.00 H new ATOM 610 N THR A 42 4.476 -4.959 6.769 1.00 0.00 N ATOM 611 CA THR A 42 5.799 -5.473 7.226 1.00 0.00 C ATOM 612 C THR A 42 6.875 -5.158 6.184 1.00 0.00 C ATOM 613 O THR A 42 8.052 -5.359 6.411 1.00 0.00 O ATOM 614 CB THR A 42 5.611 -6.985 7.363 1.00 0.00 C ATOM 615 OG1 THR A 42 4.704 -7.255 8.422 1.00 0.00 O ATOM 616 CG2 THR A 42 6.959 -7.643 7.663 1.00 0.00 C ATOM 0 H THR A 42 3.836 -5.667 6.410 1.00 0.00 H new ATOM 0 HA THR A 42 6.119 -5.016 8.162 1.00 0.00 H new ATOM 0 HB THR A 42 5.212 -7.387 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.091 -7.927 9.021 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.824 -8.720 7.761 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.654 -7.436 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.361 -7.242 8.594 1.00 0.00 H new ATOM 624 N GLY A 43 6.480 -4.666 5.042 1.00 0.00 N ATOM 625 CA GLY A 43 7.480 -4.339 3.987 1.00 0.00 C ATOM 626 C GLY A 43 7.723 -5.571 3.113 1.00 0.00 C ATOM 627 O GLY A 43 8.754 -5.704 2.484 1.00 0.00 O ATOM 0 H GLY A 43 5.509 -4.476 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.121 -3.511 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.415 -4.015 4.445 1.00 0.00 H new ATOM 631 N ARG A 44 6.782 -6.475 3.070 1.00 0.00 N ATOM 632 CA ARG A 44 6.960 -7.699 2.238 1.00 0.00 C ATOM 633 C ARG A 44 6.124 -7.597 0.960 1.00 0.00 C ATOM 634 O ARG A 44 5.588 -6.555 0.640 1.00 0.00 O ATOM 635 CB ARG A 44 6.463 -8.850 3.114 1.00 0.00 C ATOM 636 CG ARG A 44 7.402 -10.049 2.964 1.00 0.00 C ATOM 637 CD ARG A 44 7.744 -10.606 4.347 1.00 0.00 C ATOM 638 NE ARG A 44 6.430 -10.777 5.026 1.00 0.00 N ATOM 639 CZ ARG A 44 6.306 -10.490 6.293 1.00 0.00 C ATOM 640 NH1 ARG A 44 7.207 -10.895 7.146 1.00 0.00 N ATOM 641 NH2 ARG A 44 5.281 -9.797 6.707 1.00 0.00 N ATOM 0 H ARG A 44 5.898 -6.419 3.575 1.00 0.00 H new ATOM 0 HA ARG A 44 7.996 -7.840 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.422 -8.536 4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.450 -9.130 2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.929 -10.821 2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.313 -9.749 2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.276 -11.554 4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.389 -9.923 4.900 1.00 0.00 H new ATOM 0 HE ARG A 44 5.626 -11.119 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.009 -11.436 6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.109 -10.670 8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.577 -9.480 6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.184 -9.572 7.697 1.00 0.00 H new ATOM 655 N THR A 45 6.010 -8.671 0.228 1.00 0.00 N ATOM 656 CA THR A 45 5.209 -8.633 -1.030 1.00 0.00 C ATOM 657 C THR A 45 3.945 -9.483 -0.881 1.00 0.00 C ATOM 658 O THR A 45 4.009 -10.677 -0.673 1.00 0.00 O ATOM 659 CB THR A 45 6.127 -9.222 -2.102 1.00 0.00 C ATOM 660 OG1 THR A 45 7.417 -8.637 -1.993 1.00 0.00 O ATOM 661 CG2 THR A 45 5.547 -8.930 -3.486 1.00 0.00 C ATOM 0 H THR A 45 6.436 -9.572 0.445 1.00 0.00 H new ATOM 0 HA THR A 45 4.884 -7.623 -1.280 1.00 0.00 H new ATOM 0 HB THR A 45 6.205 -10.300 -1.963 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.007 -9.015 -2.678 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.201 -9.350 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.558 -9.380 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.468 -7.852 -3.628 1.00 0.00 H new ATOM 669 N CYS A 46 2.794 -8.876 -0.982 1.00 0.00 N ATOM 670 CA CYS A 46 1.531 -9.645 -0.843 1.00 0.00 C ATOM 671 C CYS A 46 1.434 -10.722 -1.928 1.00 0.00 C ATOM 672 O CYS A 46 1.914 -10.553 -3.031 1.00 0.00 O ATOM 673 CB CYS A 46 0.418 -8.612 -1.005 1.00 0.00 C ATOM 674 SG CYS A 46 -0.254 -8.203 0.624 1.00 0.00 S ATOM 0 H CYS A 46 2.677 -7.878 -1.155 1.00 0.00 H new ATOM 0 HA CYS A 46 1.470 -10.163 0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.805 -7.715 -1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.369 -9.005 -1.648 1.00 0.00 H new ATOM 679 N GLN A 47 0.820 -11.830 -1.617 1.00 0.00 N ATOM 680 CA GLN A 47 0.692 -12.928 -2.618 1.00 0.00 C ATOM 681 C GLN A 47 -0.597 -12.779 -3.432 1.00 0.00 C ATOM 682 O GLN A 47 -1.578 -12.238 -2.963 1.00 0.00 O ATOM 683 CB GLN A 47 0.623 -14.210 -1.789 1.00 0.00 C ATOM 684 CG GLN A 47 0.184 -15.373 -2.679 1.00 0.00 C ATOM 685 CD GLN A 47 1.254 -15.633 -3.741 1.00 0.00 C ATOM 686 OE1 GLN A 47 1.134 -15.186 -4.864 1.00 0.00 O ATOM 687 NE2 GLN A 47 2.304 -16.343 -3.430 1.00 0.00 N ATOM 0 H GLN A 47 0.399 -12.024 -0.708 1.00 0.00 H new ATOM 0 HA GLN A 47 1.522 -12.922 -3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.597 -14.423 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.079 -14.085 -0.965 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.029 -16.268 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.768 -15.141 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.405 -16.718 -2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.024 -16.522 -4.130 1.00 0.00 H new ATOM 696 N SER A 48 -0.615 -13.283 -4.638 1.00 0.00 N ATOM 697 CA SER A 48 -1.853 -13.199 -5.456 1.00 0.00 C ATOM 698 C SER A 48 -3.041 -13.599 -4.588 1.00 0.00 C ATOM 699 O SER A 48 -2.933 -14.469 -3.748 1.00 0.00 O ATOM 700 CB SER A 48 -1.655 -14.209 -6.586 1.00 0.00 C ATOM 701 OG SER A 48 -1.432 -13.511 -7.805 1.00 0.00 O ATOM 0 H SER A 48 0.174 -13.747 -5.088 1.00 0.00 H new ATOM 0 HA SER A 48 -2.040 -12.198 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.808 -14.858 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.533 -14.849 -6.675 1.00 0.00 H new ATOM 0 HG SER A 48 -1.303 -14.155 -8.532 1.00 0.00 H new ATOM 707 N TRP A 49 -4.174 -12.993 -4.774 1.00 0.00 N ATOM 708 CA TRP A 49 -5.337 -13.385 -3.942 1.00 0.00 C ATOM 709 C TRP A 49 -5.677 -14.839 -4.256 1.00 0.00 C ATOM 710 O TRP A 49 -5.986 -15.626 -3.385 1.00 0.00 O ATOM 711 CB TRP A 49 -6.468 -12.449 -4.363 1.00 0.00 C ATOM 712 CG TRP A 49 -6.119 -11.040 -3.997 1.00 0.00 C ATOM 713 CD1 TRP A 49 -5.443 -10.173 -4.781 1.00 0.00 C ATOM 714 CD2 TRP A 49 -6.414 -10.321 -2.768 1.00 0.00 C ATOM 715 NE1 TRP A 49 -5.325 -8.970 -4.114 1.00 0.00 N ATOM 716 CE2 TRP A 49 -5.900 -9.014 -2.870 1.00 0.00 C ATOM 717 CE3 TRP A 49 -7.073 -10.678 -1.593 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -6.036 -8.090 -1.838 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -7.217 -9.757 -0.543 1.00 0.00 C ATOM 720 CH2 TRP A 49 -6.698 -8.461 -0.665 1.00 0.00 C ATOM 0 H TRP A 49 -4.345 -12.254 -5.456 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.153 -13.307 -2.870 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.635 -12.525 -5.437 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.397 -12.743 -3.874 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -5.058 -10.386 -5.767 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -4.865 -8.146 -4.501 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.477 -11.674 -1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.633 -7.094 -1.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.730 -10.048 0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.809 -7.753 0.143 1.00 0.00 H new ATOM 731 N SER A 50 -5.594 -15.198 -5.508 1.00 0.00 N ATOM 732 CA SER A 50 -5.884 -16.598 -5.925 1.00 0.00 C ATOM 733 C SER A 50 -4.689 -17.526 -5.634 1.00 0.00 C ATOM 734 O SER A 50 -4.505 -18.527 -6.295 1.00 0.00 O ATOM 735 CB SER A 50 -6.123 -16.494 -7.429 1.00 0.00 C ATOM 736 OG SER A 50 -6.689 -17.709 -7.903 1.00 0.00 O ATOM 0 H SER A 50 -5.334 -14.571 -6.269 1.00 0.00 H new ATOM 0 HA SER A 50 -6.732 -17.021 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.791 -15.660 -7.645 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.184 -16.292 -7.944 1.00 0.00 H new ATOM 0 HG SER A 50 -6.178 -18.467 -7.551 1.00 0.00 H new ATOM 742 N SER A 51 -3.878 -17.210 -4.655 1.00 0.00 N ATOM 743 CA SER A 51 -2.710 -18.085 -4.339 1.00 0.00 C ATOM 744 C SER A 51 -3.203 -19.469 -3.927 1.00 0.00 C ATOM 745 O SER A 51 -4.139 -19.600 -3.166 1.00 0.00 O ATOM 746 CB SER A 51 -1.998 -17.401 -3.173 1.00 0.00 C ATOM 747 OG SER A 51 -2.438 -17.977 -1.950 1.00 0.00 O ATOM 0 H SER A 51 -3.975 -16.385 -4.063 1.00 0.00 H new ATOM 0 HA SER A 51 -2.046 -18.217 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.919 -17.515 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.208 -16.331 -3.181 1.00 0.00 H new ATOM 0 HG SER A 51 -3.369 -18.269 -2.042 1.00 0.00 H new ATOM 753 N MET A 52 -2.593 -20.503 -4.436 1.00 0.00 N ATOM 754 CA MET A 52 -3.041 -21.881 -4.082 1.00 0.00 C ATOM 755 C MET A 52 -1.845 -22.723 -3.626 1.00 0.00 C ATOM 756 O MET A 52 -1.997 -23.845 -3.184 1.00 0.00 O ATOM 757 CB MET A 52 -3.630 -22.463 -5.374 1.00 0.00 C ATOM 758 CG MET A 52 -4.414 -21.391 -6.134 1.00 0.00 C ATOM 759 SD MET A 52 -6.107 -21.952 -6.387 1.00 0.00 S ATOM 760 CE MET A 52 -6.768 -21.146 -4.917 1.00 0.00 C ATOM 0 H MET A 52 -1.804 -20.455 -5.081 1.00 0.00 H new ATOM 0 HA MET A 52 -3.767 -21.876 -3.269 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.829 -22.851 -6.003 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.285 -23.302 -5.137 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.409 -20.456 -5.574 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.939 -21.190 -7.094 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.794 -21.474 -4.753 1.00 0.00 H new ATOM 0 HE2 MET A 52 -6.159 -21.411 -4.052 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.751 -20.065 -5.056 1.00 0.00 H new ATOM 770 N THR A 53 -0.654 -22.196 -3.739 1.00 0.00 N ATOM 771 CA THR A 53 0.548 -22.977 -3.322 1.00 0.00 C ATOM 772 C THR A 53 0.810 -22.808 -1.821 1.00 0.00 C ATOM 773 O THR A 53 0.741 -23.764 -1.074 1.00 0.00 O ATOM 774 CB THR A 53 1.706 -22.402 -4.140 1.00 0.00 C ATOM 775 OG1 THR A 53 1.301 -21.182 -4.745 1.00 0.00 O ATOM 776 CG2 THR A 53 2.113 -23.401 -5.224 1.00 0.00 C ATOM 0 H THR A 53 -0.462 -21.262 -4.101 1.00 0.00 H new ATOM 0 HA THR A 53 0.418 -24.045 -3.497 1.00 0.00 H new ATOM 0 HB THR A 53 2.556 -22.215 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.093 -20.660 -4.990 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.938 -22.990 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.427 -24.335 -4.758 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.264 -23.591 -5.881 1.00 0.00 H new ATOM 784 N PRO A 54 1.106 -21.597 -1.425 1.00 0.00 N ATOM 785 CA PRO A 54 1.382 -21.317 0.005 1.00 0.00 C ATOM 786 C PRO A 54 0.087 -21.384 0.818 1.00 0.00 C ATOM 787 O PRO A 54 -0.289 -22.426 1.316 1.00 0.00 O ATOM 788 CB PRO A 54 1.948 -19.900 -0.008 1.00 0.00 C ATOM 789 CG PRO A 54 1.405 -19.277 -1.254 1.00 0.00 C ATOM 790 CD PRO A 54 1.207 -20.388 -2.253 1.00 0.00 C ATOM 0 HA PRO A 54 2.064 -22.035 0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.640 -19.344 0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.038 -19.911 -0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.463 -18.768 -1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.095 -18.528 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.306 -20.235 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.042 -20.451 -2.951 1.00 0.00 H new ATOM 798 N HIS A 55 -0.598 -20.282 0.956 1.00 0.00 N ATOM 799 CA HIS A 55 -1.873 -20.290 1.738 1.00 0.00 C ATOM 800 C HIS A 55 -3.065 -20.232 0.779 1.00 0.00 C ATOM 801 O HIS A 55 -3.593 -19.175 0.496 1.00 0.00 O ATOM 802 CB HIS A 55 -1.853 -19.034 2.632 1.00 0.00 C ATOM 803 CG HIS A 55 -0.454 -18.491 2.761 1.00 0.00 C ATOM 804 ND1 HIS A 55 0.119 -17.702 1.778 1.00 0.00 N ATOM 805 CD2 HIS A 55 0.501 -18.627 3.737 1.00 0.00 C ATOM 806 CE1 HIS A 55 1.365 -17.399 2.177 1.00 0.00 C ATOM 807 NE2 HIS A 55 1.651 -17.937 3.366 1.00 0.00 N ATOM 0 H HIS A 55 -0.334 -19.378 0.564 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.965 -21.195 2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.506 -18.271 2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.245 -19.279 3.619 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.325 -17.405 0.909 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.379 -19.185 4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.053 -16.793 1.606 1.00 0.00 H new ATOM 815 N TRP A 56 -3.491 -21.357 0.273 1.00 0.00 N ATOM 816 CA TRP A 56 -4.647 -21.355 -0.669 1.00 0.00 C ATOM 817 C TRP A 56 -5.814 -20.572 -0.065 1.00 0.00 C ATOM 818 O TRP A 56 -6.149 -20.733 1.092 1.00 0.00 O ATOM 819 CB TRP A 56 -5.023 -22.828 -0.850 1.00 0.00 C ATOM 820 CG TRP A 56 -6.084 -22.954 -1.901 1.00 0.00 C ATOM 821 CD1 TRP A 56 -7.242 -22.264 -1.924 1.00 0.00 C ATOM 822 CD2 TRP A 56 -6.103 -23.801 -3.081 1.00 0.00 C ATOM 823 NE1 TRP A 56 -7.973 -22.638 -3.027 1.00 0.00 N ATOM 824 CE2 TRP A 56 -7.316 -23.583 -3.775 1.00 0.00 C ATOM 825 CE3 TRP A 56 -5.201 -24.726 -3.608 1.00 0.00 C ATOM 826 CZ2 TRP A 56 -7.620 -24.258 -4.951 1.00 0.00 C ATOM 827 CZ3 TRP A 56 -5.501 -25.407 -4.796 1.00 0.00 C ATOM 828 CH2 TRP A 56 -6.708 -25.174 -5.467 1.00 0.00 C ATOM 0 H TRP A 56 -3.091 -22.274 0.470 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.403 -20.882 -1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -4.144 -23.405 -1.136 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -5.381 -23.240 0.093 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.548 -21.532 -1.191 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -8.891 -22.260 -3.261 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.268 -24.918 -3.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -8.555 -24.074 -5.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.794 -26.118 -5.198 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.930 -25.703 -6.382 1.00 0.00 H new ATOM 839 N HIS A 57 -6.444 -19.731 -0.842 1.00 0.00 N ATOM 840 CA HIS A 57 -7.595 -18.950 -0.308 1.00 0.00 C ATOM 841 C HIS A 57 -8.812 -19.099 -1.234 1.00 0.00 C ATOM 842 O HIS A 57 -8.723 -19.653 -2.312 1.00 0.00 O ATOM 843 CB HIS A 57 -7.089 -17.493 -0.242 1.00 0.00 C ATOM 844 CG HIS A 57 -7.746 -16.635 -1.298 1.00 0.00 C ATOM 845 ND1 HIS A 57 -7.857 -17.041 -2.619 1.00 0.00 N ATOM 846 CD2 HIS A 57 -8.341 -15.399 -1.236 1.00 0.00 C ATOM 847 CE1 HIS A 57 -8.498 -16.067 -3.291 1.00 0.00 C ATOM 848 NE2 HIS A 57 -8.815 -15.043 -2.496 1.00 0.00 N ATOM 0 H HIS A 57 -6.212 -19.552 -1.819 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.924 -19.294 0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.294 -17.079 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.008 -17.475 -0.377 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -7.515 -17.919 -3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.428 -14.795 -0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.728 -16.109 -4.345 1.00 0.00 H new ATOM 856 N GLN A 58 -9.943 -18.599 -0.820 1.00 0.00 N ATOM 857 CA GLN A 58 -11.163 -18.699 -1.670 1.00 0.00 C ATOM 858 C GLN A 58 -11.736 -17.302 -1.919 1.00 0.00 C ATOM 859 O GLN A 58 -11.046 -16.309 -1.799 1.00 0.00 O ATOM 860 CB GLN A 58 -12.143 -19.548 -0.859 1.00 0.00 C ATOM 861 CG GLN A 58 -12.278 -20.930 -1.501 1.00 0.00 C ATOM 862 CD GLN A 58 -13.614 -21.023 -2.241 1.00 0.00 C ATOM 863 OE1 GLN A 58 -14.640 -21.270 -1.638 1.00 0.00 O ATOM 864 NE2 GLN A 58 -13.645 -20.834 -3.532 1.00 0.00 N ATOM 0 H GLN A 58 -10.076 -18.124 0.073 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.959 -19.141 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.791 -19.646 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -13.116 -19.058 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.454 -21.103 -2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -12.219 -21.705 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.784 -20.627 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.530 -20.894 -4.035 1.00 0.00 H new ATOM 873 N ARG A 59 -12.991 -17.215 -2.264 1.00 0.00 N ATOM 874 CA ARG A 59 -13.602 -15.878 -2.518 1.00 0.00 C ATOM 875 C ARG A 59 -12.642 -14.998 -3.326 1.00 0.00 C ATOM 876 O ARG A 59 -12.564 -13.802 -3.128 1.00 0.00 O ATOM 877 CB ARG A 59 -13.841 -15.282 -1.130 1.00 0.00 C ATOM 878 CG ARG A 59 -15.333 -15.346 -0.796 1.00 0.00 C ATOM 879 CD ARG A 59 -15.512 -15.660 0.691 1.00 0.00 C ATOM 880 NE ARG A 59 -15.233 -14.375 1.390 1.00 0.00 N ATOM 881 CZ ARG A 59 -16.214 -13.568 1.689 1.00 0.00 C ATOM 882 NH1 ARG A 59 -17.296 -13.557 0.958 1.00 0.00 N ATOM 883 NH2 ARG A 59 -16.114 -12.773 2.719 1.00 0.00 N ATOM 0 H ARG A 59 -13.620 -18.010 -2.381 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.524 -15.949 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.267 -15.831 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.495 -14.249 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.811 -14.397 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.819 -16.111 -1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.521 -16.013 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.826 -16.443 1.015 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.275 -14.126 1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.374 -14.179 0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.063 -12.926 1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.269 -12.782 3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.881 -12.142 2.953 1.00 0.00 H new ATOM 897 N THR A 60 -11.912 -15.584 -4.236 1.00 0.00 N ATOM 898 CA THR A 60 -10.956 -14.785 -5.062 1.00 0.00 C ATOM 899 C THR A 60 -11.602 -13.493 -5.528 1.00 0.00 C ATOM 900 O THR A 60 -12.794 -13.294 -5.398 1.00 0.00 O ATOM 901 CB THR A 60 -10.661 -15.646 -6.288 1.00 0.00 C ATOM 902 OG1 THR A 60 -10.073 -14.837 -7.297 1.00 0.00 O ATOM 903 CG2 THR A 60 -11.965 -16.248 -6.813 1.00 0.00 C ATOM 0 H THR A 60 -11.935 -16.582 -4.445 1.00 0.00 H new ATOM 0 HA THR A 60 -10.063 -14.532 -4.491 1.00 0.00 H new ATOM 0 HB THR A 60 -9.975 -16.448 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.880 -15.386 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.755 -16.863 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.420 -16.864 -6.037 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.651 -15.447 -7.088 1.00 0.00 H new ATOM 911 N THR A 61 -10.829 -12.629 -6.116 1.00 0.00 N ATOM 912 CA THR A 61 -11.409 -11.374 -6.640 1.00 0.00 C ATOM 913 C THR A 61 -12.398 -11.738 -7.743 1.00 0.00 C ATOM 914 O THR A 61 -13.210 -10.934 -8.155 1.00 0.00 O ATOM 915 CB THR A 61 -10.230 -10.591 -7.210 1.00 0.00 C ATOM 916 OG1 THR A 61 -10.640 -9.260 -7.493 1.00 0.00 O ATOM 917 CG2 THR A 61 -9.746 -11.263 -8.493 1.00 0.00 C ATOM 0 H THR A 61 -9.825 -12.740 -6.255 1.00 0.00 H new ATOM 0 HA THR A 61 -11.935 -10.790 -5.885 1.00 0.00 H new ATOM 0 HB THR A 61 -9.418 -10.573 -6.483 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.097 -8.885 -6.711 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.904 -10.704 -8.901 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.432 -12.283 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.556 -11.282 -9.222 1.00 0.00 H new ATOM 925 N GLU A 62 -12.350 -12.964 -8.212 1.00 0.00 N ATOM 926 CA GLU A 62 -13.302 -13.379 -9.261 1.00 0.00 C ATOM 927 C GLU A 62 -14.685 -13.379 -8.641 1.00 0.00 C ATOM 928 O GLU A 62 -15.676 -13.079 -9.276 1.00 0.00 O ATOM 929 CB GLU A 62 -12.882 -14.792 -9.668 1.00 0.00 C ATOM 930 CG GLU A 62 -13.494 -15.131 -11.028 1.00 0.00 C ATOM 931 CD GLU A 62 -12.459 -14.893 -12.130 1.00 0.00 C ATOM 932 OE1 GLU A 62 -11.309 -15.240 -11.919 1.00 0.00 O ATOM 933 OE2 GLU A 62 -12.835 -14.369 -13.165 1.00 0.00 O ATOM 0 H GLU A 62 -11.693 -13.682 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.309 -12.723 -10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.795 -14.860 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.212 -15.512 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.822 -16.170 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.376 -14.516 -11.205 1.00 0.00 H new ATOM 940 N TYR A 63 -14.743 -13.684 -7.376 1.00 0.00 N ATOM 941 CA TYR A 63 -16.041 -13.672 -6.673 1.00 0.00 C ATOM 942 C TYR A 63 -16.456 -12.218 -6.443 1.00 0.00 C ATOM 943 O TYR A 63 -17.580 -11.927 -6.084 1.00 0.00 O ATOM 944 CB TYR A 63 -15.784 -14.386 -5.344 1.00 0.00 C ATOM 945 CG TYR A 63 -16.535 -15.697 -5.318 1.00 0.00 C ATOM 946 CD1 TYR A 63 -16.645 -16.465 -6.484 1.00 0.00 C ATOM 947 CD2 TYR A 63 -17.119 -16.144 -4.127 1.00 0.00 C ATOM 948 CE1 TYR A 63 -17.340 -17.681 -6.457 1.00 0.00 C ATOM 949 CE2 TYR A 63 -17.815 -17.359 -4.101 1.00 0.00 C ATOM 950 CZ TYR A 63 -17.925 -18.127 -5.266 1.00 0.00 C ATOM 951 OH TYR A 63 -18.610 -19.325 -5.240 1.00 0.00 O ATOM 0 H TYR A 63 -13.940 -13.941 -6.802 1.00 0.00 H new ATOM 0 HA TYR A 63 -16.839 -14.162 -7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.716 -14.565 -5.216 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -16.103 -13.756 -4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.194 -16.120 -7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -17.033 -15.552 -3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -17.425 -18.275 -7.355 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.267 -17.703 -3.182 1.00 0.00 H new ATOM 0 HH TYR A 63 -18.952 -19.486 -4.336 1.00 0.00 H new ATOM 961 N TYR A 64 -15.547 -11.298 -6.659 1.00 0.00 N ATOM 962 CA TYR A 64 -15.877 -9.858 -6.466 1.00 0.00 C ATOM 963 C TYR A 64 -15.843 -9.138 -7.813 1.00 0.00 C ATOM 964 O TYR A 64 -14.927 -9.320 -8.591 1.00 0.00 O ATOM 965 CB TYR A 64 -14.789 -9.319 -5.538 1.00 0.00 C ATOM 966 CG TYR A 64 -15.028 -9.828 -4.138 1.00 0.00 C ATOM 967 CD1 TYR A 64 -14.945 -11.199 -3.868 1.00 0.00 C ATOM 968 CD2 TYR A 64 -15.336 -8.930 -3.109 1.00 0.00 C ATOM 969 CE1 TYR A 64 -15.169 -11.672 -2.570 1.00 0.00 C ATOM 970 CE2 TYR A 64 -15.560 -9.403 -1.810 1.00 0.00 C ATOM 971 CZ TYR A 64 -15.477 -10.774 -1.541 1.00 0.00 C ATOM 972 OH TYR A 64 -15.699 -11.241 -0.261 1.00 0.00 O ATOM 0 H TYR A 64 -14.591 -11.486 -6.961 1.00 0.00 H new ATOM 0 HA TYR A 64 -16.872 -9.710 -6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.807 -9.635 -5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -14.795 -8.229 -5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -14.708 -11.892 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -15.401 -7.872 -3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.104 -12.730 -2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -15.797 -8.710 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 64 -15.899 -10.487 0.332 1.00 0.00 H new ATOM 982 N PRO A 65 -16.849 -8.344 -8.047 1.00 0.00 N ATOM 983 CA PRO A 65 -16.933 -7.593 -9.319 1.00 0.00 C ATOM 984 C PRO A 65 -15.878 -6.487 -9.341 1.00 0.00 C ATOM 985 O PRO A 65 -15.615 -5.884 -10.362 1.00 0.00 O ATOM 986 CB PRO A 65 -18.345 -7.014 -9.303 1.00 0.00 C ATOM 987 CG PRO A 65 -18.713 -6.943 -7.855 1.00 0.00 C ATOM 988 CD PRO A 65 -17.987 -8.069 -7.164 1.00 0.00 C ATOM 0 HA PRO A 65 -16.749 -8.207 -10.201 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.373 -6.028 -9.767 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -19.038 -7.647 -9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.427 -5.981 -7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -19.791 -7.041 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.658 -7.780 -6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.625 -8.945 -7.049 1.00 0.00 H new ATOM 996 N ASN A 66 -15.266 -6.225 -8.219 1.00 0.00 N ATOM 997 CA ASN A 66 -14.219 -5.167 -8.170 1.00 0.00 C ATOM 998 C ASN A 66 -13.081 -5.526 -9.128 1.00 0.00 C ATOM 999 O ASN A 66 -12.543 -4.683 -9.817 1.00 0.00 O ATOM 1000 CB ASN A 66 -13.723 -5.167 -6.723 1.00 0.00 C ATOM 1001 CG ASN A 66 -12.868 -3.921 -6.459 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -12.558 -3.122 -7.446 1.00 0.00 O flip ATOM 1003 ND2 ASN A 66 -12.476 -3.672 -5.336 1.00 0.00 N flip ATOM 0 H ASN A 66 -15.446 -6.698 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.597 -4.189 -8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.572 -5.187 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.138 -6.066 -6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.716 -4.293 -4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.907 -2.842 -5.167 1.00 0.00 H new ATOM 1010 N GLY A 67 -12.717 -6.779 -9.178 1.00 0.00 N ATOM 1011 CA GLY A 67 -11.619 -7.205 -10.092 1.00 0.00 C ATOM 1012 C GLY A 67 -10.437 -6.239 -9.980 1.00 0.00 C ATOM 1013 O GLY A 67 -9.629 -6.128 -10.881 1.00 0.00 O ATOM 0 H GLY A 67 -13.134 -7.527 -8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.298 -8.216 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.981 -7.232 -11.120 1.00 0.00 H new ATOM 1017 N GLY A 68 -10.315 -5.554 -8.878 1.00 0.00 N ATOM 1018 CA GLY A 68 -9.172 -4.616 -8.709 1.00 0.00 C ATOM 1019 C GLY A 68 -8.001 -5.381 -8.092 1.00 0.00 C ATOM 1020 O GLY A 68 -6.904 -4.873 -7.971 1.00 0.00 O ATOM 0 H GLY A 68 -10.957 -5.603 -8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.883 -4.194 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.459 -3.782 -8.069 1.00 0.00 H new ATOM 1024 N LEU A 69 -8.233 -6.607 -7.703 1.00 0.00 N ATOM 1025 CA LEU A 69 -7.151 -7.428 -7.094 1.00 0.00 C ATOM 1026 C LEU A 69 -6.223 -7.964 -8.181 1.00 0.00 C ATOM 1027 O LEU A 69 -5.954 -9.146 -8.257 1.00 0.00 O ATOM 1028 CB LEU A 69 -7.887 -8.576 -6.415 1.00 0.00 C ATOM 1029 CG LEU A 69 -8.772 -8.024 -5.300 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -9.257 -9.174 -4.418 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -7.966 -7.043 -4.452 1.00 0.00 C ATOM 0 H LEU A 69 -9.135 -7.077 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.532 -6.859 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.494 -9.114 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.172 -9.290 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.630 -7.512 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.889 -8.780 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.830 -9.878 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.399 -9.684 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.596 -6.648 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.110 -7.557 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.616 -6.223 -5.079 1.00 0.00 H new ATOM 1043 N THR A 70 -5.738 -7.105 -9.025 1.00 0.00 N ATOM 1044 CA THR A 70 -4.831 -7.568 -10.114 1.00 0.00 C ATOM 1045 C THR A 70 -3.724 -8.459 -9.541 1.00 0.00 C ATOM 1046 O THR A 70 -2.875 -8.012 -8.796 1.00 0.00 O ATOM 1047 CB THR A 70 -4.236 -6.292 -10.710 1.00 0.00 C ATOM 1048 OG1 THR A 70 -5.046 -5.181 -10.352 1.00 0.00 O ATOM 1049 CG2 THR A 70 -4.180 -6.417 -12.233 1.00 0.00 C ATOM 0 H THR A 70 -5.927 -6.103 -9.012 1.00 0.00 H new ATOM 0 HA THR A 70 -5.359 -8.159 -10.863 1.00 0.00 H new ATOM 0 HB THR A 70 -3.228 -6.145 -10.323 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.474 -4.435 -10.075 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.756 -5.507 -12.657 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.557 -7.269 -12.505 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.187 -6.564 -12.623 1.00 0.00 H new ATOM 1057 N ARG A 71 -3.727 -9.718 -9.887 1.00 0.00 N ATOM 1058 CA ARG A 71 -2.677 -10.643 -9.369 1.00 0.00 C ATOM 1059 C ARG A 71 -2.486 -10.443 -7.855 1.00 0.00 C ATOM 1060 O ARG A 71 -3.415 -10.589 -7.085 1.00 0.00 O ATOM 1061 CB ARG A 71 -1.412 -10.275 -10.150 1.00 0.00 C ATOM 1062 CG ARG A 71 -1.568 -10.713 -11.608 1.00 0.00 C ATOM 1063 CD ARG A 71 -1.283 -9.528 -12.535 1.00 0.00 C ATOM 1064 NE ARG A 71 -0.848 -10.143 -13.820 1.00 0.00 N ATOM 1065 CZ ARG A 71 0.420 -10.179 -14.131 1.00 0.00 C ATOM 1066 NH1 ARG A 71 1.130 -9.085 -14.104 1.00 0.00 N ATOM 1067 NH2 ARG A 71 0.977 -11.310 -14.469 1.00 0.00 N ATOM 0 H ARG A 71 -4.413 -10.147 -10.508 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.938 -11.693 -9.503 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.240 -9.200 -10.098 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.543 -10.759 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.883 -11.532 -11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.577 -11.087 -11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.171 -8.912 -12.673 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.507 -8.882 -12.124 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.541 -10.536 -14.457 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.695 -8.201 -13.840 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.120 -9.114 -14.347 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.422 -12.166 -14.490 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.967 -11.338 -14.712 1.00 0.00 H new ATOM 1081 N ASN A 72 -1.295 -10.116 -7.418 1.00 0.00 N ATOM 1082 CA ASN A 72 -1.059 -9.917 -5.957 1.00 0.00 C ATOM 1083 C ASN A 72 -1.288 -8.450 -5.575 1.00 0.00 C ATOM 1084 O ASN A 72 -0.757 -7.962 -4.598 1.00 0.00 O ATOM 1085 CB ASN A 72 0.405 -10.310 -5.747 1.00 0.00 C ATOM 1086 CG ASN A 72 1.310 -9.215 -6.310 1.00 0.00 C ATOM 1087 OD1 ASN A 72 1.386 -8.078 -5.682 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 1.951 -9.397 -7.326 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.477 -9.979 -8.011 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.736 -10.508 -5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.606 -10.453 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.613 -11.259 -6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.889 -10.290 -7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.552 -8.657 -7.690 1.00 0.00 H new ATOM 1095 N TYR A 73 -2.076 -7.744 -6.338 1.00 0.00 N ATOM 1096 CA TYR A 73 -2.336 -6.308 -6.023 1.00 0.00 C ATOM 1097 C TYR A 73 -2.976 -6.167 -4.641 1.00 0.00 C ATOM 1098 O TYR A 73 -3.818 -6.949 -4.245 1.00 0.00 O ATOM 1099 CB TYR A 73 -3.303 -5.834 -7.108 1.00 0.00 C ATOM 1100 CG TYR A 73 -2.522 -5.290 -8.280 1.00 0.00 C ATOM 1101 CD1 TYR A 73 -1.355 -5.936 -8.705 1.00 0.00 C ATOM 1102 CD2 TYR A 73 -2.967 -4.140 -8.944 1.00 0.00 C ATOM 1103 CE1 TYR A 73 -0.633 -5.432 -9.794 1.00 0.00 C ATOM 1104 CE2 TYR A 73 -2.245 -3.637 -10.032 1.00 0.00 C ATOM 1105 CZ TYR A 73 -1.078 -4.282 -10.457 1.00 0.00 C ATOM 1106 OH TYR A 73 -0.366 -3.784 -11.529 1.00 0.00 O ATOM 0 H TYR A 73 -2.552 -8.099 -7.167 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.417 -5.722 -6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.936 -6.660 -7.432 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.964 -5.064 -6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.012 -6.823 -8.193 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.867 -3.641 -8.616 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.267 -5.930 -10.122 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.589 -2.750 -10.544 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.920 -3.141 -12.020 1.00 0.00 H new ATOM 1116 N CYS A 74 -2.580 -5.163 -3.915 1.00 0.00 N ATOM 1117 CA CYS A 74 -3.152 -4.933 -2.559 1.00 0.00 C ATOM 1118 C CYS A 74 -4.492 -4.206 -2.687 1.00 0.00 C ATOM 1119 O CYS A 74 -4.655 -3.327 -3.509 1.00 0.00 O ATOM 1120 CB CYS A 74 -2.117 -4.057 -1.843 1.00 0.00 C ATOM 1121 SG CYS A 74 -2.889 -3.191 -0.451 1.00 0.00 S ATOM 0 H CYS A 74 -1.877 -4.483 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.342 -5.857 -2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.292 -4.674 -1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.695 -3.335 -2.542 1.00 0.00 H new ATOM 1126 N ARG A 75 -5.450 -4.569 -1.885 1.00 0.00 N ATOM 1127 CA ARG A 75 -6.779 -3.904 -1.965 1.00 0.00 C ATOM 1128 C ARG A 75 -7.553 -4.127 -0.663 1.00 0.00 C ATOM 1129 O ARG A 75 -6.973 -4.264 0.396 1.00 0.00 O ATOM 1130 CB ARG A 75 -7.469 -4.594 -3.140 1.00 0.00 C ATOM 1131 CG ARG A 75 -7.887 -3.556 -4.183 1.00 0.00 C ATOM 1132 CD ARG A 75 -6.687 -3.200 -5.063 1.00 0.00 C ATOM 1133 NE ARG A 75 -7.263 -2.935 -6.410 1.00 0.00 N ATOM 1134 CZ ARG A 75 -6.621 -2.180 -7.259 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -6.053 -1.077 -6.852 1.00 0.00 N ATOM 1136 NH2 ARG A 75 -6.545 -2.527 -8.515 1.00 0.00 N ATOM 0 H ARG A 75 -5.371 -5.298 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.713 -2.825 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.796 -5.324 -3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.344 -5.141 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -8.697 -3.949 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.266 -2.662 -3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.162 -2.325 -4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.965 -4.016 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.161 -3.344 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.111 -0.806 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.551 -0.487 -7.516 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.988 -3.389 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.043 -1.936 -9.178 1.00 0.00 H new ATOM 1150 N ASN A 76 -8.855 -4.169 -0.728 1.00 0.00 N ATOM 1151 CA ASN A 76 -9.651 -4.388 0.513 1.00 0.00 C ATOM 1152 C ASN A 76 -11.028 -4.958 0.166 1.00 0.00 C ATOM 1153 O ASN A 76 -11.984 -4.224 0.012 1.00 0.00 O ATOM 1154 CB ASN A 76 -9.786 -3.006 1.153 1.00 0.00 C ATOM 1155 CG ASN A 76 -10.103 -3.165 2.640 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -10.474 -4.233 3.084 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -9.970 -2.139 3.436 1.00 0.00 N ATOM 0 H ASN A 76 -9.401 -4.062 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.174 -5.100 1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.862 -2.442 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.576 -2.440 0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.178 -2.234 4.430 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.658 -1.242 3.064 1.00 0.00 H new ATOM 1164 N PRO A 77 -11.078 -6.257 0.059 1.00 0.00 N ATOM 1165 CA PRO A 77 -12.348 -6.947 -0.270 1.00 0.00 C ATOM 1166 C PRO A 77 -13.295 -6.913 0.932 1.00 0.00 C ATOM 1167 O PRO A 77 -14.458 -7.248 0.830 1.00 0.00 O ATOM 1168 CB PRO A 77 -11.910 -8.376 -0.579 1.00 0.00 C ATOM 1169 CG PRO A 77 -10.620 -8.552 0.158 1.00 0.00 C ATOM 1170 CD PRO A 77 -9.966 -7.197 0.234 1.00 0.00 C ATOM 0 HA PRO A 77 -12.888 -6.486 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -12.656 -9.098 -0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.776 -8.525 -1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.798 -8.951 1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.975 -9.263 -0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.465 -7.049 1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.212 -7.073 -0.544 1.00 0.00 H new ATOM 1178 N ASP A 78 -12.803 -6.508 2.071 1.00 0.00 N ATOM 1179 CA ASP A 78 -13.672 -6.449 3.282 1.00 0.00 C ATOM 1180 C ASP A 78 -13.874 -4.993 3.711 1.00 0.00 C ATOM 1181 O ASP A 78 -14.831 -4.660 4.382 1.00 0.00 O ATOM 1182 CB ASP A 78 -12.909 -7.226 4.355 1.00 0.00 C ATOM 1183 CG ASP A 78 -13.860 -8.196 5.057 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -14.598 -7.751 5.920 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -13.834 -9.368 4.719 1.00 0.00 O ATOM 0 H ASP A 78 -11.837 -6.215 2.216 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.662 -6.869 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.082 -7.774 3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.476 -6.536 5.080 1.00 0.00 H new ATOM 1190 N ALA A 79 -12.980 -4.124 3.325 1.00 0.00 N ATOM 1191 CA ALA A 79 -13.115 -2.687 3.703 1.00 0.00 C ATOM 1192 C ALA A 79 -12.893 -2.502 5.207 1.00 0.00 C ATOM 1193 O ALA A 79 -13.658 -1.839 5.879 1.00 0.00 O ATOM 1194 CB ALA A 79 -14.545 -2.304 3.320 1.00 0.00 C ATOM 0 H ALA A 79 -12.159 -4.347 2.762 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.377 -2.063 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.720 -1.257 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.687 -2.451 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.249 -2.930 3.869 1.00 0.00 H new ATOM 1200 N GLU A 80 -11.847 -3.075 5.739 1.00 0.00 N ATOM 1201 CA GLU A 80 -11.574 -2.921 7.200 1.00 0.00 C ATOM 1202 C GLU A 80 -10.853 -1.597 7.449 1.00 0.00 C ATOM 1203 O GLU A 80 -10.988 -0.653 6.697 1.00 0.00 O ATOM 1204 CB GLU A 80 -10.663 -4.094 7.583 1.00 0.00 C ATOM 1205 CG GLU A 80 -11.048 -5.345 6.790 1.00 0.00 C ATOM 1206 CD GLU A 80 -11.130 -6.545 7.735 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -11.999 -6.542 8.591 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -10.320 -7.446 7.588 1.00 0.00 O ATOM 0 H GLU A 80 -11.170 -3.642 5.228 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.492 -2.920 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.623 -3.835 7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.744 -4.293 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.007 -5.193 6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.312 -5.534 6.009 1.00 0.00 H new ATOM 1215 N ILE A 81 -10.077 -1.525 8.493 1.00 0.00 N ATOM 1216 CA ILE A 81 -9.337 -0.266 8.779 1.00 0.00 C ATOM 1217 C ILE A 81 -8.560 0.166 7.536 1.00 0.00 C ATOM 1218 O ILE A 81 -8.327 1.336 7.306 1.00 0.00 O ATOM 1219 CB ILE A 81 -8.377 -0.624 9.910 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -7.650 -1.929 9.575 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -9.163 -0.802 11.208 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -6.157 -1.648 9.393 1.00 0.00 C ATOM 0 H ILE A 81 -9.923 -2.282 9.159 1.00 0.00 H new ATOM 0 HA ILE A 81 -9.997 0.557 9.052 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.648 0.177 10.030 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.800 -2.656 10.373 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -8.063 -2.365 8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.478 -1.058 12.016 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.680 0.127 11.451 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.893 -1.602 11.085 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.638 -2.577 9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.017 -0.935 8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.750 -1.232 10.315 1.00 0.00 H new ATOM 1234 N SER A 82 -8.159 -0.780 6.734 1.00 0.00 N ATOM 1235 CA SER A 82 -7.394 -0.448 5.498 1.00 0.00 C ATOM 1236 C SER A 82 -7.311 -1.680 4.591 1.00 0.00 C ATOM 1237 O SER A 82 -7.797 -2.738 4.937 1.00 0.00 O ATOM 1238 CB SER A 82 -6.000 -0.040 5.979 1.00 0.00 C ATOM 1239 OG SER A 82 -5.998 0.065 7.397 1.00 0.00 O ATOM 0 H SER A 82 -8.329 -1.775 6.882 1.00 0.00 H new ATOM 0 HA SER A 82 -7.867 0.347 4.921 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.263 -0.776 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.714 0.913 5.533 1.00 0.00 H new ATOM 0 HG SER A 82 -5.077 0.167 7.716 1.00 0.00 H new ATOM 1245 N PRO A 83 -6.698 -1.496 3.455 1.00 0.00 N ATOM 1246 CA PRO A 83 -6.549 -2.604 2.481 1.00 0.00 C ATOM 1247 C PRO A 83 -5.467 -3.589 2.939 1.00 0.00 C ATOM 1248 O PRO A 83 -4.572 -3.242 3.683 1.00 0.00 O ATOM 1249 CB PRO A 83 -6.125 -1.896 1.198 1.00 0.00 C ATOM 1250 CG PRO A 83 -5.481 -0.621 1.647 1.00 0.00 C ATOM 1251 CD PRO A 83 -6.093 -0.249 2.975 1.00 0.00 C ATOM 0 HA PRO A 83 -7.460 -3.191 2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.429 -2.507 0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.983 -1.699 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.403 -0.749 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.644 0.170 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.340 0.122 3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.839 0.538 2.863 1.00 0.00 H new ATOM 1259 N TRP A 84 -5.543 -4.814 2.491 1.00 0.00 N ATOM 1260 CA TRP A 84 -4.519 -5.825 2.890 1.00 0.00 C ATOM 1261 C TRP A 84 -4.442 -6.929 1.833 1.00 0.00 C ATOM 1262 O TRP A 84 -4.980 -6.799 0.751 1.00 0.00 O ATOM 1263 CB TRP A 84 -5.007 -6.385 4.227 1.00 0.00 C ATOM 1264 CG TRP A 84 -6.375 -6.963 4.061 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -7.531 -6.280 4.224 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -6.752 -8.326 3.707 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -8.593 -7.136 3.993 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -8.164 -8.408 3.671 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -6.013 -9.488 3.417 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -8.820 -9.599 3.358 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -6.670 -10.689 3.102 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -8.071 -10.744 3.072 1.00 0.00 C ATOM 0 H TRP A 84 -6.271 -5.159 1.865 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.521 -5.396 2.978 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -4.319 -7.151 4.584 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.024 -5.596 4.979 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.612 -5.237 4.491 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -9.573 -6.861 4.053 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -4.934 -9.456 3.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -9.899 -9.636 3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -6.093 -11.575 2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -8.571 -11.670 2.828 1.00 0.00 H new ATOM 1283 N CYS A 85 -3.778 -8.014 2.127 1.00 0.00 N ATOM 1284 CA CYS A 85 -3.678 -9.113 1.120 1.00 0.00 C ATOM 1285 C CYS A 85 -2.709 -10.199 1.596 1.00 0.00 C ATOM 1286 O CYS A 85 -1.793 -9.945 2.353 1.00 0.00 O ATOM 1287 CB CYS A 85 -3.165 -8.452 -0.169 1.00 0.00 C ATOM 1288 SG CYS A 85 -1.939 -7.172 0.217 1.00 0.00 S ATOM 0 H CYS A 85 -3.303 -8.188 3.013 1.00 0.00 H new ATOM 0 HA CYS A 85 -4.640 -9.601 0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.720 -9.206 -0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.999 -8.012 -0.716 1.00 0.00 H new ATOM 1293 N TYR A 86 -2.914 -11.412 1.156 1.00 0.00 N ATOM 1294 CA TYR A 86 -2.021 -12.532 1.574 1.00 0.00 C ATOM 1295 C TYR A 86 -0.550 -12.167 1.349 1.00 0.00 C ATOM 1296 O TYR A 86 -0.234 -11.132 0.797 1.00 0.00 O ATOM 1297 CB TYR A 86 -2.428 -13.704 0.681 1.00 0.00 C ATOM 1298 CG TYR A 86 -3.830 -14.139 1.037 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -4.929 -13.562 0.389 1.00 0.00 C ATOM 1300 CD2 TYR A 86 -4.031 -15.118 2.017 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -6.228 -13.965 0.721 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -5.330 -15.521 2.349 1.00 0.00 C ATOM 1303 CZ TYR A 86 -6.428 -14.945 1.701 1.00 0.00 C ATOM 1304 OH TYR A 86 -7.709 -15.342 2.029 1.00 0.00 O ATOM 0 H TYR A 86 -3.667 -11.677 0.521 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.121 -12.765 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.381 -13.411 -0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -1.733 -14.534 0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.775 -12.806 -0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.184 -15.563 2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.076 -13.520 0.221 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.484 -16.276 3.105 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.670 -16.030 2.726 1.00 0.00 H new ATOM 1314 N THR A 87 0.353 -13.011 1.775 1.00 0.00 N ATOM 1315 CA THR A 87 1.806 -12.715 1.589 1.00 0.00 C ATOM 1316 C THR A 87 2.451 -13.729 0.642 1.00 0.00 C ATOM 1317 O THR A 87 2.161 -14.908 0.689 1.00 0.00 O ATOM 1318 CB THR A 87 2.422 -12.867 2.976 1.00 0.00 C ATOM 1319 OG1 THR A 87 1.567 -13.659 3.781 1.00 0.00 O ATOM 1320 CG2 THR A 87 2.613 -11.498 3.621 1.00 0.00 C ATOM 0 H THR A 87 0.148 -13.893 2.244 1.00 0.00 H new ATOM 0 HA THR A 87 1.957 -11.724 1.161 1.00 0.00 H new ATOM 0 HB THR A 87 3.395 -13.350 2.886 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.793 -14.606 3.666 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.053 -11.620 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.275 -10.893 3.001 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.647 -11.001 3.713 1.00 0.00 H new ATOM 1328 N MET A 88 3.343 -13.283 -0.202 1.00 0.00 N ATOM 1329 CA MET A 88 4.029 -14.223 -1.137 1.00 0.00 C ATOM 1330 C MET A 88 4.921 -15.202 -0.361 1.00 0.00 C ATOM 1331 O MET A 88 5.535 -16.077 -0.937 1.00 0.00 O ATOM 1332 CB MET A 88 4.879 -13.327 -2.036 1.00 0.00 C ATOM 1333 CG MET A 88 4.568 -13.634 -3.499 1.00 0.00 C ATOM 1334 SD MET A 88 6.030 -14.349 -4.289 1.00 0.00 S ATOM 1335 CE MET A 88 5.200 -14.989 -5.763 1.00 0.00 C ATOM 0 H MET A 88 3.627 -12.307 -0.285 1.00 0.00 H new ATOM 0 HA MET A 88 3.321 -14.827 -1.704 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.673 -12.278 -1.822 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.938 -13.492 -1.836 1.00 0.00 H new ATOM 0 HG2 MET A 88 3.730 -14.327 -3.566 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.270 -12.723 -4.018 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.946 -15.321 -6.485 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.563 -15.829 -5.486 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.590 -14.203 -6.207 1.00 0.00 H new ATOM 1345 N ASP A 89 4.998 -15.069 0.940 1.00 0.00 N ATOM 1346 CA ASP A 89 5.845 -15.994 1.731 1.00 0.00 C ATOM 1347 C ASP A 89 4.959 -16.901 2.585 1.00 0.00 C ATOM 1348 O ASP A 89 3.960 -16.469 3.126 1.00 0.00 O ATOM 1349 CB ASP A 89 6.700 -15.088 2.616 1.00 0.00 C ATOM 1350 CG ASP A 89 7.505 -14.128 1.737 1.00 0.00 C ATOM 1351 OD1 ASP A 89 8.355 -14.601 1.002 1.00 0.00 O ATOM 1352 OD2 ASP A 89 7.256 -12.936 1.813 1.00 0.00 O ATOM 0 H ASP A 89 4.508 -14.357 1.482 1.00 0.00 H new ATOM 0 HA ASP A 89 6.459 -16.641 1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.065 -14.525 3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.373 -15.689 3.227 1.00 0.00 H new ATOM 1357 N PRO A 90 5.361 -18.133 2.672 1.00 0.00 N ATOM 1358 CA PRO A 90 4.607 -19.134 3.463 1.00 0.00 C ATOM 1359 C PRO A 90 4.740 -18.844 4.959 1.00 0.00 C ATOM 1360 O PRO A 90 4.142 -19.504 5.786 1.00 0.00 O ATOM 1361 CB PRO A 90 5.273 -20.457 3.091 1.00 0.00 C ATOM 1362 CG PRO A 90 6.651 -20.080 2.648 1.00 0.00 C ATOM 1363 CD PRO A 90 6.552 -18.702 2.046 1.00 0.00 C ATOM 0 HA PRO A 90 3.537 -19.133 3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 90 5.303 -21.138 3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.727 -20.965 2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 90 7.343 -20.085 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.032 -20.794 1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.440 -18.107 2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.452 -18.745 0.961 1.00 0.00 H new ATOM 1371 N ASN A 91 5.507 -17.851 5.311 1.00 0.00 N ATOM 1372 CA ASN A 91 5.665 -17.506 6.749 1.00 0.00 C ATOM 1373 C ASN A 91 4.557 -16.537 7.161 1.00 0.00 C ATOM 1374 O ASN A 91 4.332 -16.291 8.329 1.00 0.00 O ATOM 1375 CB ASN A 91 7.034 -16.832 6.846 1.00 0.00 C ATOM 1376 CG ASN A 91 7.806 -17.410 8.033 1.00 0.00 C ATOM 1377 OD1 ASN A 91 7.805 -16.844 9.108 1.00 0.00 O ATOM 1378 ND2 ASN A 91 8.471 -18.523 7.883 1.00 0.00 N ATOM 0 H ASN A 91 6.032 -17.263 4.663 1.00 0.00 H new ATOM 0 HA ASN A 91 5.599 -18.375 7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.594 -16.988 5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.913 -15.756 6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.989 -18.917 8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.472 -18.999 6.981 1.00 0.00 H new ATOM 1385 N VAL A 92 3.865 -15.982 6.202 1.00 0.00 N ATOM 1386 CA VAL A 92 2.773 -15.025 6.522 1.00 0.00 C ATOM 1387 C VAL A 92 1.481 -15.454 5.821 1.00 0.00 C ATOM 1388 O VAL A 92 1.486 -15.790 4.654 1.00 0.00 O ATOM 1389 CB VAL A 92 3.265 -13.689 5.964 1.00 0.00 C ATOM 1390 CG1 VAL A 92 2.252 -12.589 6.291 1.00 0.00 C ATOM 1391 CG2 VAL A 92 4.614 -13.340 6.597 1.00 0.00 C ATOM 0 H VAL A 92 4.012 -16.153 5.207 1.00 0.00 H new ATOM 0 HA VAL A 92 2.555 -14.973 7.589 1.00 0.00 H new ATOM 0 HB VAL A 92 3.376 -13.769 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.606 -11.638 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.290 -12.835 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.138 -12.509 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.967 -12.388 6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.499 -13.263 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.338 -14.121 6.364 1.00 0.00 H new ATOM 1401 N ARG A 93 0.374 -15.443 6.511 1.00 0.00 N ATOM 1402 CA ARG A 93 -0.895 -15.840 5.859 1.00 0.00 C ATOM 1403 C ARG A 93 -1.561 -14.605 5.247 1.00 0.00 C ATOM 1404 O ARG A 93 -2.143 -14.661 4.182 1.00 0.00 O ATOM 1405 CB ARG A 93 -1.766 -16.449 6.965 1.00 0.00 C ATOM 1406 CG ARG A 93 -1.980 -15.439 8.093 1.00 0.00 C ATOM 1407 CD ARG A 93 -3.139 -15.907 8.976 1.00 0.00 C ATOM 1408 NE ARG A 93 -2.537 -16.905 9.902 1.00 0.00 N ATOM 1409 CZ ARG A 93 -3.088 -18.079 10.046 1.00 0.00 C ATOM 1410 NH1 ARG A 93 -4.388 -18.199 10.012 1.00 0.00 N ATOM 1411 NH2 ARG A 93 -2.339 -19.132 10.222 1.00 0.00 N ATOM 0 H ARG A 93 0.298 -15.177 7.493 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.740 -16.557 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.728 -16.753 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.290 -17.347 7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.071 -15.342 8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.197 -14.454 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.579 -15.074 9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.935 -16.352 8.379 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.693 -16.671 10.425 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.973 -17.375 9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.819 -19.117 10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.324 -19.037 10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.768 -20.050 10.335 1.00 0.00 H new ATOM 1425 N TRP A 94 -1.464 -13.488 5.914 1.00 0.00 N ATOM 1426 CA TRP A 94 -2.072 -12.236 5.384 1.00 0.00 C ATOM 1427 C TRP A 94 -1.448 -11.026 6.086 1.00 0.00 C ATOM 1428 O TRP A 94 -0.957 -11.128 7.193 1.00 0.00 O ATOM 1429 CB TRP A 94 -3.570 -12.355 5.696 1.00 0.00 C ATOM 1430 CG TRP A 94 -3.831 -11.978 7.121 1.00 0.00 C ATOM 1431 CD1 TRP A 94 -3.997 -12.851 8.139 1.00 0.00 C ATOM 1432 CD2 TRP A 94 -3.958 -10.647 7.696 1.00 0.00 C ATOM 1433 NE1 TRP A 94 -4.217 -12.141 9.305 1.00 0.00 N ATOM 1434 CE2 TRP A 94 -4.202 -10.777 9.084 1.00 0.00 C ATOM 1435 CE3 TRP A 94 -3.885 -9.352 7.154 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 -4.369 -9.660 9.904 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 -4.052 -8.226 7.976 1.00 0.00 C ATOM 1438 CH2 TRP A 94 -4.293 -8.380 9.349 1.00 0.00 C ATOM 0 H TRP A 94 -0.986 -13.389 6.810 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.904 -12.101 4.316 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -4.140 -11.707 5.030 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -3.907 -13.375 5.514 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -3.963 -13.927 8.056 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -4.371 -12.571 10.217 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -3.699 -9.222 6.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -4.556 -9.784 10.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -3.995 -7.236 7.549 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.420 -7.510 9.977 1.00 0.00 H new ATOM 1449 N GLU A 95 -1.459 -9.884 5.459 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.861 -8.684 6.112 1.00 0.00 C ATOM 1451 C GLU A 95 -1.457 -7.404 5.527 1.00 0.00 C ATOM 1452 O GLU A 95 -1.757 -7.326 4.352 1.00 0.00 O ATOM 1453 CB GLU A 95 0.633 -8.768 5.804 1.00 0.00 C ATOM 1454 CG GLU A 95 1.429 -8.654 7.105 1.00 0.00 C ATOM 1455 CD GLU A 95 1.383 -7.210 7.606 1.00 0.00 C ATOM 1456 OE1 GLU A 95 1.118 -6.332 6.801 1.00 0.00 O ATOM 1457 OE2 GLU A 95 1.612 -7.005 8.787 1.00 0.00 O ATOM 0 H GLU A 95 -1.852 -9.728 4.531 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.057 -8.661 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.860 -9.711 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.919 -7.970 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.014 -9.325 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.462 -8.960 6.940 1.00 0.00 H new ATOM 1464 N TYR A 96 -1.623 -6.395 6.337 1.00 0.00 N ATOM 1465 CA TYR A 96 -2.190 -5.120 5.820 1.00 0.00 C ATOM 1466 C TYR A 96 -1.166 -4.437 4.916 1.00 0.00 C ATOM 1467 O TYR A 96 -0.013 -4.818 4.873 1.00 0.00 O ATOM 1468 CB TYR A 96 -2.472 -4.272 7.062 1.00 0.00 C ATOM 1469 CG TYR A 96 -3.886 -4.521 7.526 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -4.964 -4.061 6.760 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -4.120 -5.215 8.719 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -6.276 -4.295 7.187 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -5.432 -5.448 9.147 1.00 0.00 C ATOM 1474 CZ TYR A 96 -6.511 -4.988 8.381 1.00 0.00 C ATOM 1475 OH TYR A 96 -7.804 -5.220 8.801 1.00 0.00 O ATOM 0 H TYR A 96 -1.391 -6.399 7.330 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.093 -5.271 5.229 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.767 -4.523 7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -2.333 -3.215 6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.783 -3.526 5.840 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.288 -5.571 9.309 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.107 -3.941 6.596 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -5.613 -5.982 10.068 1.00 0.00 H new ATOM 0 HH TYR A 96 -7.789 -5.714 9.647 1.00 0.00 H new ATOM 1485 N CYS A 97 -1.573 -3.439 4.188 1.00 0.00 N ATOM 1486 CA CYS A 97 -0.613 -2.749 3.284 1.00 0.00 C ATOM 1487 C CYS A 97 -0.033 -1.508 3.961 1.00 0.00 C ATOM 1488 O CYS A 97 -0.669 -0.879 4.783 1.00 0.00 O ATOM 1489 CB CYS A 97 -1.438 -2.365 2.061 1.00 0.00 C ATOM 1490 SG CYS A 97 -1.892 -3.866 1.162 1.00 0.00 S ATOM 0 H CYS A 97 -2.524 -3.071 4.178 1.00 0.00 H new ATOM 0 HA CYS A 97 0.236 -3.381 3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -2.333 -1.823 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -0.866 -1.698 1.416 1.00 0.00 H new ATOM 1495 N ASN A 98 1.176 -1.161 3.621 1.00 0.00 N ATOM 1496 CA ASN A 98 1.822 0.036 4.238 1.00 0.00 C ATOM 1497 C ASN A 98 1.019 1.303 3.949 1.00 0.00 C ATOM 1498 O ASN A 98 1.445 2.145 3.187 1.00 0.00 O ATOM 1499 CB ASN A 98 3.182 0.140 3.556 1.00 0.00 C ATOM 1500 CG ASN A 98 4.187 -0.768 4.268 1.00 0.00 C ATOM 1501 OD1 ASN A 98 4.322 -0.715 5.474 1.00 0.00 O ATOM 1502 ND2 ASN A 98 4.903 -1.606 3.568 1.00 0.00 N ATOM 0 H ASN A 98 1.750 -1.656 2.939 1.00 0.00 H new ATOM 0 HA ASN A 98 1.890 -0.063 5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.097 -0.147 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.532 1.172 3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.575 -2.216 4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.790 -1.651 2.555 1.00 0.00 H new ATOM 1509 N LEU A 99 -0.127 1.467 4.546 1.00 0.00 N ATOM 1510 CA LEU A 99 -0.904 2.708 4.273 1.00 0.00 C ATOM 1511 C LEU A 99 -1.834 3.052 5.436 1.00 0.00 C ATOM 1512 O LEU A 99 -2.514 2.207 5.984 1.00 0.00 O ATOM 1513 CB LEU A 99 -1.718 2.446 2.992 1.00 0.00 C ATOM 1514 CG LEU A 99 -1.933 0.944 2.763 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -2.913 0.400 3.802 1.00 0.00 C ATOM 1516 CD2 LEU A 99 -2.505 0.726 1.360 1.00 0.00 C ATOM 0 H LEU A 99 -0.554 0.810 5.199 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.232 3.558 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.684 2.947 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.199 2.876 2.135 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.981 0.421 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.064 -0.667 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.509 0.559 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.867 0.920 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.660 -0.340 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.457 1.250 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.806 1.113 0.618 1.00 0.00 H new ATOM 1528 N THR A 100 -1.873 4.305 5.795 1.00 0.00 N ATOM 1529 CA THR A 100 -2.757 4.759 6.900 1.00 0.00 C ATOM 1530 C THR A 100 -3.921 5.559 6.311 1.00 0.00 C ATOM 1531 O THR A 100 -3.856 6.021 5.189 1.00 0.00 O ATOM 1532 CB THR A 100 -1.880 5.653 7.777 1.00 0.00 C ATOM 1533 OG1 THR A 100 -1.301 6.674 6.977 1.00 0.00 O ATOM 1534 CG2 THR A 100 -0.772 4.816 8.420 1.00 0.00 C ATOM 0 H THR A 100 -1.320 5.044 5.361 1.00 0.00 H new ATOM 0 HA THR A 100 -3.178 3.932 7.472 1.00 0.00 H new ATOM 0 HB THR A 100 -2.490 6.104 8.560 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.740 7.250 7.537 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.149 5.456 9.044 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.217 4.033 9.034 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.160 4.362 7.641 1.00 0.00 H new ATOM 1542 N GLN A 101 -4.986 5.723 7.042 1.00 0.00 N ATOM 1543 CA GLN A 101 -6.139 6.490 6.490 1.00 0.00 C ATOM 1544 C GLN A 101 -5.637 7.788 5.855 1.00 0.00 C ATOM 1545 O GLN A 101 -5.377 8.764 6.531 1.00 0.00 O ATOM 1546 CB GLN A 101 -7.028 6.791 7.698 1.00 0.00 C ATOM 1547 CG GLN A 101 -8.498 6.689 7.290 1.00 0.00 C ATOM 1548 CD GLN A 101 -9.371 7.368 8.347 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -10.035 6.633 9.197 1.00 0.00 O flip ATOM 1550 NE2 GLN A 101 -9.449 8.579 8.401 1.00 0.00 N flip ATOM 0 H GLN A 101 -5.110 5.364 7.989 1.00 0.00 H new ATOM 0 HA GLN A 101 -6.678 5.940 5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.814 6.089 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.814 7.789 8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.650 7.161 6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -8.785 5.643 7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.930 9.154 7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.033 9.021 9.111 1.00 0.00 H new ATOM 1559 N CYS A 102 -5.491 7.800 4.556 1.00 0.00 N ATOM 1560 CA CYS A 102 -4.996 9.027 3.870 1.00 0.00 C ATOM 1561 C CYS A 102 -5.868 10.232 4.236 1.00 0.00 C ATOM 1562 O CYS A 102 -5.361 11.272 4.604 1.00 0.00 O ATOM 1563 CB CYS A 102 -5.094 8.717 2.374 1.00 0.00 C ATOM 1564 SG CYS A 102 -3.597 9.304 1.538 1.00 0.00 S ATOM 0 H CYS A 102 -5.694 7.012 3.941 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.977 9.279 4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.212 7.644 2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.974 9.199 1.948 1.00 0.00 H new ATOM 1569 N PRO A 103 -7.158 10.051 4.127 1.00 0.00 N ATOM 1570 CA PRO A 103 -8.104 11.140 4.456 1.00 0.00 C ATOM 1571 C PRO A 103 -8.262 11.260 5.975 1.00 0.00 C ATOM 1572 O PRO A 103 -8.892 10.437 6.609 1.00 0.00 O ATOM 1573 CB PRO A 103 -9.409 10.689 3.808 1.00 0.00 C ATOM 1574 CG PRO A 103 -9.311 9.197 3.716 1.00 0.00 C ATOM 1575 CD PRO A 103 -7.847 8.831 3.690 1.00 0.00 C ATOM 0 HA PRO A 103 -7.776 12.118 4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.269 10.990 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.533 11.136 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -9.807 8.729 4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.811 8.836 2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.635 7.995 4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.530 8.532 2.691 1.00 0.00 H new ATOM 1583 N VAL A 104 -7.690 12.274 6.565 1.00 0.00 N ATOM 1584 CA VAL A 104 -7.806 12.437 8.042 1.00 0.00 C ATOM 1585 C VAL A 104 -9.032 13.286 8.392 1.00 0.00 C ATOM 1586 O VAL A 104 -10.061 12.774 8.786 1.00 0.00 O ATOM 1587 CB VAL A 104 -6.521 13.150 8.465 1.00 0.00 C ATOM 1588 CG1 VAL A 104 -6.597 13.498 9.952 1.00 0.00 C ATOM 1589 CG2 VAL A 104 -5.324 12.228 8.217 1.00 0.00 C ATOM 0 H VAL A 104 -7.148 12.995 6.089 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.929 11.481 8.552 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.403 14.065 7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.681 14.006 10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.451 14.152 10.129 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.713 12.584 10.534 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.407 12.734 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.442 11.314 8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.270 11.979 7.157 1.00 0.00 H new ATOM 1599 N THR A 105 -8.931 14.579 8.254 1.00 0.00 N ATOM 1600 CA THR A 105 -10.091 15.456 8.583 1.00 0.00 C ATOM 1601 C THR A 105 -10.746 15.977 7.301 1.00 0.00 C ATOM 1602 O THR A 105 -10.284 15.719 6.207 1.00 0.00 O ATOM 1603 CB THR A 105 -9.495 16.610 9.393 1.00 0.00 C ATOM 1604 OG1 THR A 105 -8.707 16.082 10.453 1.00 0.00 O ATOM 1605 CG2 THR A 105 -10.622 17.471 9.967 1.00 0.00 C ATOM 0 H THR A 105 -8.096 15.066 7.928 1.00 0.00 H new ATOM 0 HA THR A 105 -10.866 14.926 9.137 1.00 0.00 H new ATOM 0 HB THR A 105 -8.869 17.225 8.746 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.322 16.818 10.973 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.195 18.292 10.543 1.00 0.00 H new ATOM 0 HG22 THR A 105 -11.223 17.874 9.152 1.00 0.00 H new ATOM 0 HG23 THR A 105 -11.251 16.861 10.615 1.00 0.00 H new ATOM 1613 N GLU A 106 -11.823 16.704 7.427 1.00 0.00 N ATOM 1614 CA GLU A 106 -12.512 17.239 6.217 1.00 0.00 C ATOM 1615 C GLU A 106 -12.890 16.095 5.273 1.00 0.00 C ATOM 1616 O GLU A 106 -12.333 15.016 5.333 1.00 0.00 O ATOM 1617 CB GLU A 106 -11.492 18.168 5.555 1.00 0.00 C ATOM 1618 CG GLU A 106 -11.432 19.489 6.323 1.00 0.00 C ATOM 1619 CD GLU A 106 -12.591 20.387 5.888 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -13.319 19.989 4.994 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -12.732 21.457 6.457 1.00 0.00 O ATOM 0 H GLU A 106 -12.256 16.951 8.317 1.00 0.00 H new ATOM 0 HA GLU A 106 -13.435 17.762 6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.509 17.697 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -11.770 18.351 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -11.487 19.301 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.481 19.988 6.135 1.00 0.00 H new ATOM 1628 N SER A 107 -13.837 16.321 4.404 1.00 0.00 N ATOM 1629 CA SER A 107 -14.254 15.247 3.458 1.00 0.00 C ATOM 1630 C SER A 107 -14.285 15.785 2.024 1.00 0.00 C ATOM 1631 O SER A 107 -13.881 16.900 1.760 1.00 0.00 O ATOM 1632 CB SER A 107 -15.657 14.848 3.911 1.00 0.00 C ATOM 1633 OG SER A 107 -16.618 15.571 3.154 1.00 0.00 O ATOM 0 H SER A 107 -14.340 17.203 4.308 1.00 0.00 H new ATOM 0 HA SER A 107 -13.566 14.401 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 107 -15.804 13.776 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 107 -15.782 15.057 4.973 1.00 0.00 H new ATOM 0 HG SER A 107 -17.520 15.316 3.441 1.00 0.00 H new ATOM 1639 N SER A 108 -14.760 15.000 1.097 1.00 0.00 N ATOM 1640 CA SER A 108 -14.815 15.465 -0.318 1.00 0.00 C ATOM 1641 C SER A 108 -13.400 15.718 -0.845 1.00 0.00 C ATOM 1642 O SER A 108 -13.149 16.678 -1.547 1.00 0.00 O ATOM 1643 CB SER A 108 -15.614 16.767 -0.276 1.00 0.00 C ATOM 1644 OG SER A 108 -16.806 16.611 -1.033 1.00 0.00 O ATOM 0 H SER A 108 -15.113 14.056 1.258 1.00 0.00 H new ATOM 0 HA SER A 108 -15.273 14.729 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.856 17.026 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.018 17.586 -0.679 1.00 0.00 H new ATOM 0 HG SER A 108 -17.322 17.444 -1.007 1.00 0.00 H new ATOM 1650 N VAL A 109 -12.473 14.861 -0.512 1.00 0.00 N ATOM 1651 CA VAL A 109 -11.073 15.050 -0.992 1.00 0.00 C ATOM 1652 C VAL A 109 -10.971 14.701 -2.479 1.00 0.00 C ATOM 1653 O VAL A 109 -11.070 13.553 -2.865 1.00 0.00 O ATOM 1654 CB VAL A 109 -10.234 14.083 -0.157 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -10.360 14.445 1.324 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -10.737 12.655 -0.376 1.00 0.00 C ATOM 0 H VAL A 109 -12.624 14.038 0.072 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.736 16.081 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.189 14.153 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.762 13.755 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.004 15.463 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.404 14.375 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.140 11.964 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.781 12.587 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.649 12.396 -1.431 1.00 0.00 H new ATOM 1666 N LEU A 110 -10.772 15.682 -3.316 1.00 0.00 N ATOM 1667 CA LEU A 110 -10.661 15.405 -4.778 1.00 0.00 C ATOM 1668 C LEU A 110 -9.257 15.754 -5.277 1.00 0.00 C ATOM 1669 O LEU A 110 -8.704 15.082 -6.125 1.00 0.00 O ATOM 1670 CB LEU A 110 -11.703 16.311 -5.434 1.00 0.00 C ATOM 1671 CG LEU A 110 -13.010 15.538 -5.623 1.00 0.00 C ATOM 1672 CD1 LEU A 110 -14.181 16.391 -5.133 1.00 0.00 C ATOM 1673 CD2 LEU A 110 -13.200 15.215 -7.107 1.00 0.00 C ATOM 0 H LEU A 110 -10.681 16.663 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.830 14.354 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -11.876 17.191 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -11.336 16.666 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 110 -12.971 14.611 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -15.113 15.841 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -14.045 16.623 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -14.221 17.318 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -14.131 14.664 -7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -13.240 16.142 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -12.365 14.608 -7.457 1.00 0.00 H new ATOM 1685 N ALA A 111 -8.677 16.801 -4.757 1.00 0.00 N ATOM 1686 CA ALA A 111 -7.309 17.193 -5.203 1.00 0.00 C ATOM 1687 C ALA A 111 -6.370 17.296 -3.999 1.00 0.00 C ATOM 1688 O ALA A 111 -6.388 18.266 -3.267 1.00 0.00 O ATOM 1689 CB ALA A 111 -7.486 18.559 -5.864 1.00 0.00 C ATOM 0 H ALA A 111 -9.090 17.402 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.871 16.464 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.521 18.918 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -8.173 18.470 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.890 19.265 -5.138 1.00 0.00 H new ATOM 1695 N THR A 112 -5.549 16.304 -3.786 1.00 0.00 N ATOM 1696 CA THR A 112 -4.611 16.348 -2.628 1.00 0.00 C ATOM 1697 C THR A 112 -3.408 17.236 -2.954 1.00 0.00 C ATOM 1698 O THR A 112 -2.638 16.950 -3.849 1.00 0.00 O ATOM 1699 CB THR A 112 -4.165 14.900 -2.423 1.00 0.00 C ATOM 1700 OG1 THR A 112 -5.310 14.072 -2.266 1.00 0.00 O ATOM 1701 CG2 THR A 112 -3.289 14.807 -1.172 1.00 0.00 C ATOM 0 H THR A 112 -5.487 15.465 -4.363 1.00 0.00 H new ATOM 0 HA THR A 112 -5.079 16.762 -1.735 1.00 0.00 H new ATOM 0 HB THR A 112 -3.593 14.568 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 112 -5.027 13.143 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.971 13.775 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.412 15.443 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.859 15.137 -0.303 1.00 0.00 H new ATOM 1709 N SER A 113 -3.239 18.309 -2.233 1.00 0.00 N ATOM 1710 CA SER A 113 -2.084 19.210 -2.503 1.00 0.00 C ATOM 1711 C SER A 113 -0.778 18.522 -2.096 1.00 0.00 C ATOM 1712 O SER A 113 -0.730 17.322 -1.912 1.00 0.00 O ATOM 1713 CB SER A 113 -2.333 20.444 -1.637 1.00 0.00 C ATOM 1714 OG SER A 113 -1.882 20.190 -0.314 1.00 0.00 O ATOM 0 H SER A 113 -3.849 18.601 -1.470 1.00 0.00 H new ATOM 0 HA SER A 113 -1.995 19.467 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.810 21.305 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.395 20.689 -1.630 1.00 0.00 H new ATOM 0 HG SER A 113 -2.039 20.981 0.243 1.00 0.00 H new ATOM 1720 N THR A 114 0.280 19.270 -1.955 1.00 0.00 N ATOM 1721 CA THR A 114 1.579 18.652 -1.559 1.00 0.00 C ATOM 1722 C THR A 114 2.124 19.333 -0.301 1.00 0.00 C ATOM 1723 O THR A 114 1.430 20.076 0.364 1.00 0.00 O ATOM 1724 CB THR A 114 2.517 18.884 -2.747 1.00 0.00 C ATOM 1725 OG1 THR A 114 1.831 19.596 -3.769 1.00 0.00 O ATOM 1726 CG2 THR A 114 2.990 17.536 -3.292 1.00 0.00 C ATOM 0 H THR A 114 0.303 20.280 -2.096 1.00 0.00 H new ATOM 0 HA THR A 114 1.476 17.592 -1.329 1.00 0.00 H new ATOM 0 HB THR A 114 3.378 19.467 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.435 19.744 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.658 17.700 -4.138 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.521 16.993 -2.510 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.129 16.953 -3.617 1.00 0.00 H new ATOM 1734 N ALA A 115 3.361 19.085 0.032 1.00 0.00 N ATOM 1735 CA ALA A 115 3.946 19.718 1.249 1.00 0.00 C ATOM 1736 C ALA A 115 4.417 21.140 0.935 1.00 0.00 C ATOM 1737 O ALA A 115 4.993 21.400 -0.103 1.00 0.00 O ATOM 1738 CB ALA A 115 5.135 18.833 1.625 1.00 0.00 C ATOM 0 H ALA A 115 3.992 18.472 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 115 3.221 19.795 2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.620 19.234 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.785 17.821 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.848 18.812 0.801 1.00 0.00 H new ATOM 1744 N VAL A 116 4.177 22.063 1.826 1.00 0.00 N ATOM 1745 CA VAL A 116 4.612 23.469 1.584 1.00 0.00 C ATOM 1746 C VAL A 116 5.005 24.131 2.907 1.00 0.00 C ATOM 1747 O VAL A 116 4.214 24.225 3.824 1.00 0.00 O ATOM 1748 CB VAL A 116 3.390 24.162 0.981 1.00 0.00 C ATOM 1749 CG1 VAL A 116 3.720 25.630 0.702 1.00 0.00 C ATOM 1750 CG2 VAL A 116 3.007 23.470 -0.329 1.00 0.00 C ATOM 0 H VAL A 116 3.698 21.904 2.712 1.00 0.00 H new ATOM 0 HA VAL A 116 5.479 23.528 0.927 1.00 0.00 H new ATOM 0 HB VAL A 116 2.557 24.103 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.848 26.124 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.994 26.125 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.553 25.689 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.136 23.963 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.841 23.529 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.772 22.424 -0.133 1.00 0.00 H new ATOM 1760 N SER A 117 6.222 24.590 3.015 1.00 0.00 N ATOM 1761 CA SER A 117 6.662 25.243 4.281 1.00 0.00 C ATOM 1762 C SER A 117 6.828 26.750 4.071 1.00 0.00 C ATOM 1763 O SER A 117 7.607 27.190 3.249 1.00 0.00 O ATOM 1764 CB SER A 117 8.006 24.597 4.611 1.00 0.00 C ATOM 1765 OG SER A 117 8.567 24.052 3.423 1.00 0.00 O ATOM 0 H SER A 117 6.930 24.541 2.282 1.00 0.00 H new ATOM 0 HA SER A 117 5.938 25.114 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 117 8.682 25.336 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.873 23.814 5.357 1.00 0.00 H new ATOM 0 HG SER A 117 9.431 23.638 3.629 1.00 0.00 H new ATOM 1771 N GLU A 118 6.103 27.545 4.809 1.00 0.00 N ATOM 1772 CA GLU A 118 6.220 29.023 4.651 1.00 0.00 C ATOM 1773 C GLU A 118 7.637 29.480 5.010 1.00 0.00 C ATOM 1774 O GLU A 118 8.324 30.089 4.214 1.00 0.00 O ATOM 1775 CB GLU A 118 5.201 29.608 5.630 1.00 0.00 C ATOM 1776 CG GLU A 118 5.496 31.093 5.849 1.00 0.00 C ATOM 1777 CD GLU A 118 4.336 31.740 6.607 1.00 0.00 C ATOM 1778 OE1 GLU A 118 3.388 31.036 6.913 1.00 0.00 O ATOM 1779 OE2 GLU A 118 4.416 32.929 6.871 1.00 0.00 O ATOM 0 H GLU A 118 5.435 27.235 5.515 1.00 0.00 H new ATOM 0 HA GLU A 118 6.032 29.347 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.191 29.481 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.245 29.074 6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 118 6.422 31.211 6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 118 5.640 31.591 4.890 1.00 0.00 H new ATOM 1786 N GLN A 119 8.079 29.190 6.203 1.00 0.00 N ATOM 1787 CA GLN A 119 9.451 29.607 6.613 1.00 0.00 C ATOM 1788 C GLN A 119 10.373 28.387 6.691 1.00 0.00 C ATOM 1789 O GLN A 119 9.972 27.336 6.219 1.00 0.00 O ATOM 1790 CB GLN A 119 9.277 30.237 7.996 1.00 0.00 C ATOM 1791 CG GLN A 119 9.970 31.600 8.029 1.00 0.00 C ATOM 1792 CD GLN A 119 10.731 31.752 9.347 1.00 0.00 C ATOM 1793 OE1 GLN A 119 11.001 30.778 10.021 1.00 0.00 O ATOM 1794 NE2 GLN A 119 11.092 32.941 9.744 1.00 0.00 N ATOM 1795 OXT GLN A 119 11.463 28.524 7.221 1.00 0.00 O ATOM 0 H GLN A 119 7.550 28.682 6.912 1.00 0.00 H new ATOM 0 HA GLN A 119 9.901 30.301 5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 119 8.217 30.351 8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 119 9.699 29.584 8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 119 10.657 31.691 7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.234 32.397 7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.865 33.758 9.178 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.601 33.053 10.621 1.00 0.00 H new TER 1804 GLN A 119