USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1134 hydrogens (14 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 NoAdj-H: A 126 ASNHD21 : A 126 ASN ND2 : A 161 NAG C1 :(H bumps) USER MOD Set 1.1: A 69 SER OG : rot -84:sc= 0.0012 USER MOD Set 1.2: A 100 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-6.7!) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 ASN : amide:sc= 0.146 K(o=0.15,f=-0.57) USER MOD Set 3.1: A 51 SER OG : rot -55:sc= -1.28! USER MOD Set 3.2: A 84 THR OG1 : rot 177:sc= -4.57! USER MOD Set 4.1: A 47 TYR OH : rot 30:sc= -4.96! USER MOD Set 4.2: A 79 HIS : no HE2:sc= -8.92! C(o=-14!,f=-9.8!) USER MOD Set 5.1: A 45 GLN : amide:sc= -0.157 K(o=-0.12,f=-5.9!) USER MOD Set 5.2: A 46 THR OG1 : rot -148:sc= 0.0377! USER MOD Set 6.1: A 16 MET CE :methyl 162:sc= -14.2! (180deg=-11.7!) USER MOD Set 6.2: A 144 THR OG1 : rot -128:sc= -9.4! USER MOD Set 7.1: A 3 HIS : no HD1:sc= -5.74! C(o=-6.8!,f=-13!) USER MOD Set 7.2: A 13 SER OG : rot 33:sc= 1.09 USER MOD Set 7.3: A 153 LYS NZ :NH3+ -140:sc= -2.15! (180deg=-2.87!) USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -4:sc= -1.64! USER MOD Single : A 17 GLN : amide:sc= -0.656 K(o=-0.66,f=-0.014) USER MOD Single : A 20 LYS NZ :NH3+ -113:sc= -1.96! (180deg=-3.66!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 22 GLN : amide:sc= -3.16! C(o=-3.2!,f=-9.5!) USER MOD Single : A 24 ASN : amide:sc= 0.0426 K(o=0.043,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ -129:sc= 0.0258 (180deg=-0.245) USER MOD Single : A 26 GLN : amide:sc= -9.28! C(o=-9.3!,f=-16!) USER MOD Single : A 27 MET CE :methyl 142:sc= -9.48! (180deg=-11.7!) USER MOD Single : A 30 THR OG1 : rot 136:sc= -4.44! USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 37 SER OG : rot 46:sc= 0.0145 USER MOD Single : A 39 GLN : amide:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 50 ASN : amide:sc= -2.05! C(o=-2!,f=-2.1!) USER MOD Single : A 52 ASN : amide:sc= -2.18! C(o=-2.2!,f=-3.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 66 THR OG1 : rot 180:sc= -2.81! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 111:sc= -2.9! USER MOD Single : A 85 THR OG1 : rot 100:sc= -1.5 USER MOD Single : A 86 SER OG : rot 180:sc= -0.447 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -3.6! C(o=-3.6!,f=-4.7!) USER MOD Single : A 92 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.018) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -27:sc= -5.25! USER MOD Single : A 98 THR OG1 : rot -27:sc= 0.253! USER MOD Single : A 101 THR OG1 : rot -64:sc= 0.129 USER MOD Single : A 105 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.7!) USER MOD Single : A 106 THR OG1 : rot 39:sc= -0.822! USER MOD Single : A 110 ASN : amide:sc= -4.35! C(o=-4.4!,f=-2.8!) USER MOD Single : A 111 SER OG : rot -160:sc= -0.631 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 117 HIS : no HE2:sc= -15! C(o=-15!,f=-14!) USER MOD Single : A 122 TYR OH : rot 130:sc= -3.7! USER MOD Single : A 123 ASN : amide:sc= -1.58! C(o=-1.6!,f=-1.2!) USER MOD Single : A 124 ASN : amide:sc= -4.86! C(o=-4.9!,f=-6.8!) USER MOD Single : A 125 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-1.1) USER MOD Single : A 127 TYR OH : rot 143:sc= 0.16 USER MOD Single : A 128 THR OG1 : rot 180:sc= -3.01! USER MOD Single : A 131 THR OG1 : rot -160:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -3.29! K(o=-3.3!,f=-1.8) USER MOD Single : A 139 MET CE :methyl 173:sc= -11! (180deg=-11.2!) USER MOD Single : A 140 LYS NZ :NH3+ -148:sc= 0.0178 (180deg=0) USER MOD Single : A 145 THR OG1 : rot -21:sc= -3.1! USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.078) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.6) USER MOD Single : A 159 MET CE :methyl -179:sc= -0.59 (180deg=-0.595) USER MOD Single : A 161 NAG O3 : rot 146:sc= 0.0256 USER MOD Single : A 161 NAG O4 : rot -154:sc= 1.11 USER MOD Single : A 161 NAG O6 : rot 180:sc= 0.893 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 12.292 -4.776 21.726 1.00 0.00 N ATOM 2 CA TYR A 1 13.092 -4.112 20.665 1.00 0.00 C ATOM 3 C TYR A 1 12.259 -3.882 19.408 1.00 0.00 C ATOM 4 O TYR A 1 12.477 -4.522 18.380 1.00 0.00 O ATOM 5 CB TYR A 1 14.300 -4.993 20.342 1.00 0.00 C ATOM 6 CG TYR A 1 15.628 -4.299 20.540 1.00 0.00 C ATOM 7 CD1 TYR A 1 15.956 -3.163 19.810 1.00 0.00 C ATOM 8 CD2 TYR A 1 16.555 -4.779 21.457 1.00 0.00 C ATOM 9 CE1 TYR A 1 17.169 -2.526 19.988 1.00 0.00 C ATOM 10 CE2 TYR A 1 17.770 -4.146 21.642 1.00 0.00 C ATOM 11 CZ TYR A 1 18.073 -3.022 20.905 1.00 0.00 C ATOM 12 OH TYR A 1 19.281 -2.389 21.085 1.00 0.00 O ATOM 0 H1 TYR A 1 12.884 -4.920 22.569 1.00 0.00 H new ATOM 0 H2 TYR A 1 11.478 -4.178 21.973 1.00 0.00 H new ATOM 0 H3 TYR A 1 11.953 -5.696 21.380 1.00 0.00 H new ATOM 0 HA TYR A 1 13.422 -3.137 21.024 1.00 0.00 H new ATOM 0 HB2 TYR A 1 14.268 -5.883 20.970 1.00 0.00 H new ATOM 0 HB3 TYR A 1 14.227 -5.330 19.308 1.00 0.00 H new ATOM 0 HD1 TYR A 1 15.251 -2.772 19.092 1.00 0.00 H new ATOM 0 HD2 TYR A 1 16.322 -5.661 22.035 1.00 0.00 H new ATOM 0 HE1 TYR A 1 17.408 -1.644 19.412 1.00 0.00 H new ATOM 0 HE2 TYR A 1 18.478 -4.531 22.361 1.00 0.00 H new ATOM 0 HH TYR A 1 19.801 -2.864 21.767 1.00 0.00 H new ATOM 24 N GLY A 2 11.302 -2.963 19.499 1.00 0.00 N ATOM 25 CA GLY A 2 10.450 -2.664 18.363 1.00 0.00 C ATOM 26 C GLY A 2 9.433 -3.757 18.099 1.00 0.00 C ATOM 27 O GLY A 2 9.796 -4.909 17.862 1.00 0.00 O ATOM 0 H GLY A 2 11.102 -2.420 20.339 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.930 -1.723 18.540 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.068 -2.524 17.476 1.00 0.00 H new ATOM 31 N HIS A 3 8.155 -3.395 18.137 1.00 0.00 N ATOM 32 CA HIS A 3 7.081 -4.352 17.900 1.00 0.00 C ATOM 33 C HIS A 3 5.750 -3.815 18.418 1.00 0.00 C ATOM 34 O HIS A 3 5.636 -3.425 19.579 1.00 0.00 O ATOM 35 CB HIS A 3 7.401 -5.687 18.577 1.00 0.00 C ATOM 36 CG HIS A 3 7.634 -6.809 17.615 1.00 0.00 C ATOM 37 ND1 HIS A 3 8.519 -6.726 16.561 1.00 0.00 N ATOM 38 CD2 HIS A 3 7.094 -8.049 17.553 1.00 0.00 C ATOM 39 CE1 HIS A 3 8.512 -7.866 15.891 1.00 0.00 C ATOM 40 NE2 HIS A 3 7.656 -8.686 16.473 1.00 0.00 N ATOM 0 H HIS A 3 7.838 -2.445 18.330 1.00 0.00 H new ATOM 0 HA HIS A 3 6.997 -4.507 16.824 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.287 -5.565 19.200 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.579 -5.954 19.241 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.358 -8.461 18.227 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.105 -8.089 15.017 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.446 -9.637 16.170 1.00 0.00 H new ATOM 49 N CYS A 4 4.744 -3.799 17.549 1.00 0.00 N ATOM 50 CA CYS A 4 3.422 -3.309 17.923 1.00 0.00 C ATOM 51 C CYS A 4 2.390 -4.432 17.872 1.00 0.00 C ATOM 52 O CYS A 4 1.955 -4.841 16.796 1.00 0.00 O ATOM 53 CB CYS A 4 2.996 -2.173 16.996 1.00 0.00 C ATOM 54 SG CYS A 4 4.253 -0.870 16.789 1.00 0.00 S ATOM 0 H CYS A 4 4.819 -4.119 16.583 1.00 0.00 H new ATOM 0 HA CYS A 4 3.478 -2.935 18.945 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.754 -2.588 16.018 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.083 -1.723 17.386 1.00 0.00 H new ATOM 59 N VAL A 5 2.005 -4.924 19.045 1.00 0.00 N ATOM 60 CA VAL A 5 1.024 -5.999 19.140 1.00 0.00 C ATOM 61 C VAL A 5 -0.398 -5.458 19.045 1.00 0.00 C ATOM 62 O VAL A 5 -0.860 -4.738 19.930 1.00 0.00 O ATOM 63 CB VAL A 5 1.188 -6.785 20.452 1.00 0.00 C ATOM 64 CG1 VAL A 5 0.348 -8.051 20.426 1.00 0.00 C ATOM 65 CG2 VAL A 5 2.656 -7.111 20.689 1.00 0.00 C ATOM 0 H VAL A 5 2.358 -4.595 19.944 1.00 0.00 H new ATOM 0 HA VAL A 5 1.202 -6.671 18.301 1.00 0.00 H new ATOM 0 HB VAL A 5 0.836 -6.166 21.277 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.478 -8.593 21.363 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.702 -7.788 20.301 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.665 -8.681 19.595 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.759 -7.667 21.621 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.033 -7.714 19.863 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.228 -6.186 20.754 1.00 0.00 H new ATOM 75 N THR A 6 -1.086 -5.806 17.961 1.00 0.00 N ATOM 76 CA THR A 6 -2.454 -5.350 17.746 1.00 0.00 C ATOM 77 C THR A 6 -3.468 -6.427 18.112 1.00 0.00 C ATOM 78 O THR A 6 -3.471 -7.516 17.539 1.00 0.00 O ATOM 79 CB THR A 6 -2.683 -4.924 16.282 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.076 -5.005 15.960 1.00 0.00 O ATOM 81 CG2 THR A 6 -1.885 -5.804 15.332 1.00 0.00 C ATOM 0 H THR A 6 -0.718 -6.402 17.219 1.00 0.00 H new ATOM 0 HA THR A 6 -2.598 -4.488 18.398 1.00 0.00 H new ATOM 0 HB THR A 6 -2.344 -3.894 16.169 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.213 -4.731 15.029 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.062 -5.485 14.305 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.823 -5.717 15.561 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.197 -6.842 15.448 1.00 0.00 H new ATOM 89 N ASP A 7 -4.331 -6.110 19.073 1.00 0.00 N ATOM 90 CA ASP A 7 -5.359 -7.043 19.523 1.00 0.00 C ATOM 91 C ASP A 7 -4.764 -8.141 20.399 1.00 0.00 C ATOM 92 O ASP A 7 -5.484 -9.001 20.903 1.00 0.00 O ATOM 93 CB ASP A 7 -6.071 -7.665 18.321 1.00 0.00 C ATOM 94 CG ASP A 7 -7.520 -7.999 18.616 1.00 0.00 C ATOM 95 OD1 ASP A 7 -7.764 -8.933 19.408 1.00 0.00 O ATOM 96 OD2 ASP A 7 -8.410 -7.325 18.056 1.00 0.00 O ATOM 0 H ASP A 7 -4.339 -5.212 19.556 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.080 -6.484 20.119 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.024 -6.976 17.478 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.546 -8.572 18.021 1.00 0.00 H new ATOM 101 N SER A 8 -3.445 -8.112 20.571 1.00 0.00 N ATOM 102 CA SER A 8 -2.762 -9.112 21.378 1.00 0.00 C ATOM 103 C SER A 8 -2.605 -10.404 20.590 1.00 0.00 C ATOM 104 O SER A 8 -2.340 -11.464 21.158 1.00 0.00 O ATOM 105 CB SER A 8 -3.538 -9.376 22.671 1.00 0.00 C ATOM 106 OG SER A 8 -2.667 -9.425 23.788 1.00 0.00 O ATOM 0 H SER A 8 -2.831 -7.407 20.162 1.00 0.00 H new ATOM 0 HA SER A 8 -1.773 -8.733 21.636 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.281 -8.592 22.819 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.080 -10.318 22.587 1.00 0.00 H new ATOM 0 HG SER A 8 -3.187 -9.593 24.601 1.00 0.00 H new ATOM 112 N GLY A 9 -2.776 -10.307 19.275 1.00 0.00 N ATOM 113 CA GLY A 9 -2.654 -11.472 18.427 1.00 0.00 C ATOM 114 C GLY A 9 -1.634 -11.287 17.322 1.00 0.00 C ATOM 115 O GLY A 9 -0.929 -12.229 16.959 1.00 0.00 O ATOM 0 H GLY A 9 -2.997 -9.441 18.784 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.372 -12.331 19.036 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.625 -11.698 17.986 1.00 0.00 H new ATOM 119 N VAL A 10 -1.552 -10.074 16.782 1.00 0.00 N ATOM 120 CA VAL A 10 -0.607 -9.786 15.711 1.00 0.00 C ATOM 121 C VAL A 10 0.286 -8.608 16.072 1.00 0.00 C ATOM 122 O VAL A 10 -0.190 -7.491 16.272 1.00 0.00 O ATOM 123 CB VAL A 10 -1.330 -9.479 14.385 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.570 -10.080 13.213 1.00 0.00 C ATOM 125 CG2 VAL A 10 -2.763 -9.991 14.421 1.00 0.00 C ATOM 0 H VAL A 10 -2.125 -9.280 17.067 1.00 0.00 H new ATOM 0 HA VAL A 10 0.004 -10.679 15.582 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.362 -8.397 14.253 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.095 -9.854 12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.434 -9.657 13.175 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.504 -11.161 13.338 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.255 -9.764 13.475 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.760 -11.070 14.578 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.302 -9.507 15.235 1.00 0.00 H new ATOM 135 N VAL A 11 1.583 -8.868 16.153 1.00 0.00 N ATOM 136 CA VAL A 11 2.546 -7.832 16.489 1.00 0.00 C ATOM 137 C VAL A 11 3.474 -7.550 15.316 1.00 0.00 C ATOM 138 O VAL A 11 4.442 -8.274 15.082 1.00 0.00 O ATOM 139 CB VAL A 11 3.382 -8.218 17.721 1.00 0.00 C ATOM 140 CG1 VAL A 11 4.068 -9.556 17.496 1.00 0.00 C ATOM 141 CG2 VAL A 11 4.393 -7.129 18.041 1.00 0.00 C ATOM 0 H VAL A 11 1.992 -9.788 15.990 1.00 0.00 H new ATOM 0 HA VAL A 11 1.978 -6.931 16.721 1.00 0.00 H new ATOM 0 HB VAL A 11 2.717 -8.319 18.579 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.656 -9.816 18.376 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.316 -10.326 17.322 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.725 -9.487 16.629 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.976 -7.419 18.915 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.060 -6.990 17.190 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.869 -6.196 18.247 1.00 0.00 H new ATOM 151 N TYR A 12 3.161 -6.492 14.581 1.00 0.00 N ATOM 152 CA TYR A 12 3.949 -6.099 13.424 1.00 0.00 C ATOM 153 C TYR A 12 5.089 -5.172 13.829 1.00 0.00 C ATOM 154 O TYR A 12 4.859 -4.065 14.315 1.00 0.00 O ATOM 155 CB TYR A 12 3.045 -5.417 12.401 1.00 0.00 C ATOM 156 CG TYR A 12 1.863 -6.270 12.011 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.987 -7.243 11.031 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.628 -6.109 12.627 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.912 -8.035 10.672 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.451 -6.897 12.275 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.305 -7.858 11.297 1.00 0.00 C ATOM 162 OH TYR A 12 -1.376 -8.644 10.944 1.00 0.00 O ATOM 0 H TYR A 12 2.361 -5.888 14.768 1.00 0.00 H new ATOM 0 HA TYR A 12 4.388 -6.992 12.979 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.687 -4.472 12.811 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.626 -5.179 11.510 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.939 -7.385 10.540 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.510 -5.356 13.393 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.025 -8.788 9.906 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.404 -6.761 12.764 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.125 -9.221 10.193 1.00 0.00 H new ATOM 172 N SER A 13 6.319 -5.635 13.632 1.00 0.00 N ATOM 173 CA SER A 13 7.495 -4.847 13.981 1.00 0.00 C ATOM 174 C SER A 13 7.404 -3.448 13.383 1.00 0.00 C ATOM 175 O SER A 13 6.657 -3.216 12.434 1.00 0.00 O ATOM 176 CB SER A 13 8.766 -5.543 13.492 1.00 0.00 C ATOM 177 OG SER A 13 9.779 -5.511 14.482 1.00 0.00 O ATOM 0 H SER A 13 6.527 -6.550 13.233 1.00 0.00 H new ATOM 0 HA SER A 13 7.535 -4.758 15.067 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.541 -6.577 13.231 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.124 -5.057 12.585 1.00 0.00 H new ATOM 0 HG SER A 13 9.369 -5.557 15.371 1.00 0.00 H new ATOM 183 N VAL A 14 8.170 -2.519 13.943 1.00 0.00 N ATOM 184 CA VAL A 14 8.175 -1.146 13.467 1.00 0.00 C ATOM 185 C VAL A 14 8.339 -1.092 11.952 1.00 0.00 C ATOM 186 O VAL A 14 8.475 -2.126 11.296 1.00 0.00 O ATOM 187 CB VAL A 14 9.300 -0.336 14.131 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.327 -0.608 15.626 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.644 -0.660 13.496 1.00 0.00 C ATOM 0 H VAL A 14 8.796 -2.695 14.729 1.00 0.00 H new ATOM 0 HA VAL A 14 7.214 -0.707 13.736 1.00 0.00 H new ATOM 0 HB VAL A 14 9.105 0.725 13.976 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.128 -0.029 16.087 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.372 -0.320 16.065 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.501 -1.670 15.800 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.426 -0.076 13.981 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.857 -1.722 13.617 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.613 -0.415 12.434 1.00 0.00 H new ATOM 199 N GLY A 15 8.319 0.116 11.401 1.00 0.00 N ATOM 200 CA GLY A 15 8.459 0.271 9.967 1.00 0.00 C ATOM 201 C GLY A 15 7.732 -0.817 9.201 1.00 0.00 C ATOM 202 O GLY A 15 8.137 -1.187 8.099 1.00 0.00 O ATOM 0 H GLY A 15 8.209 0.987 11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.071 1.245 9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.516 0.255 9.703 1.00 0.00 H new ATOM 206 N MET A 16 6.658 -1.332 9.791 1.00 0.00 N ATOM 207 CA MET A 16 5.872 -2.389 9.159 1.00 0.00 C ATOM 208 C MET A 16 4.431 -1.943 8.943 1.00 0.00 C ATOM 209 O MET A 16 3.695 -1.706 9.902 1.00 0.00 O ATOM 210 CB MET A 16 5.902 -3.656 10.014 1.00 0.00 C ATOM 211 CG MET A 16 5.417 -4.896 9.280 1.00 0.00 C ATOM 212 SD MET A 16 5.525 -6.387 10.288 1.00 0.00 S ATOM 213 CE MET A 16 6.399 -7.484 9.175 1.00 0.00 C ATOM 0 H MET A 16 6.312 -1.036 10.704 1.00 0.00 H new ATOM 0 HA MET A 16 6.316 -2.603 8.187 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.921 -3.825 10.363 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.284 -3.502 10.899 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.383 -4.747 8.968 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.007 -5.031 8.374 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.822 -8.315 9.740 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.707 -7.869 8.426 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.201 -6.937 8.680 1.00 0.00 H new ATOM 223 N GLN A 17 4.033 -1.831 7.680 1.00 0.00 N ATOM 224 CA GLN A 17 2.679 -1.410 7.339 1.00 0.00 C ATOM 225 C GLN A 17 1.730 -2.603 7.273 1.00 0.00 C ATOM 226 O GLN A 17 2.162 -3.747 7.134 1.00 0.00 O ATOM 227 CB GLN A 17 2.676 -0.669 6.001 1.00 0.00 C ATOM 228 CG GLN A 17 3.866 0.258 5.816 1.00 0.00 C ATOM 229 CD GLN A 17 4.411 0.232 4.402 1.00 0.00 C ATOM 230 OE1 GLN A 17 4.269 1.196 3.651 1.00 0.00 O ATOM 231 NE2 GLN A 17 5.042 -0.876 4.031 1.00 0.00 N ATOM 0 H GLN A 17 4.629 -2.026 6.876 1.00 0.00 H new ATOM 0 HA GLN A 17 2.330 -0.738 8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.665 -1.399 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.757 -0.088 5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.571 1.276 6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.656 -0.027 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.137 -1.652 4.686 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.431 -0.951 3.091 1.00 0.00 H new ATOM 240 N TRP A 18 0.434 -2.324 7.374 1.00 0.00 N ATOM 241 CA TRP A 18 -0.581 -3.369 7.327 1.00 0.00 C ATOM 242 C TRP A 18 -1.981 -2.766 7.293 1.00 0.00 C ATOM 243 O TRP A 18 -2.251 -1.760 7.948 1.00 0.00 O ATOM 244 CB TRP A 18 -0.442 -4.301 8.530 1.00 0.00 C ATOM 245 CG TRP A 18 -0.999 -3.729 9.798 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.312 -3.681 10.170 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.257 -3.129 10.865 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.431 -3.088 11.405 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.184 -2.741 11.853 1.00 0.00 C ATOM 250 CE3 TRP A 18 1.101 -2.882 11.083 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.793 -2.121 13.038 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.486 -2.269 12.258 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.544 -1.897 13.224 1.00 0.00 C ATOM 0 H TRP A 18 0.062 -1.381 7.489 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.431 -3.945 6.414 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.949 -5.241 8.312 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.612 -4.534 8.679 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.136 -4.054 9.581 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.306 -2.932 11.906 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.836 -3.166 10.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.519 -1.828 13.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.533 -2.073 12.435 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.879 -1.423 14.135 1.00 0.00 H new ATOM 264 N LEU A 19 -2.869 -3.389 6.524 1.00 0.00 N ATOM 265 CA LEU A 19 -4.243 -2.914 6.406 1.00 0.00 C ATOM 266 C LEU A 19 -5.169 -3.686 7.339 1.00 0.00 C ATOM 267 O LEU A 19 -4.912 -4.843 7.669 1.00 0.00 O ATOM 268 CB LEU A 19 -4.728 -3.050 4.960 1.00 0.00 C ATOM 269 CG LEU A 19 -6.148 -2.545 4.704 1.00 0.00 C ATOM 270 CD1 LEU A 19 -6.117 -1.156 4.087 1.00 0.00 C ATOM 271 CD2 LEU A 19 -6.905 -3.513 3.808 1.00 0.00 C ATOM 0 H LEU A 19 -2.662 -4.223 5.974 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.263 -1.863 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.043 -2.506 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.675 -4.100 4.672 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.669 -2.484 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.137 -0.813 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.614 -0.467 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.578 -1.190 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.914 -3.137 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.386 -3.608 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.959 -4.489 4.290 1.00 0.00 H new ATOM 283 N LYS A 20 -6.249 -3.036 7.762 1.00 0.00 N ATOM 284 CA LYS A 20 -7.215 -3.661 8.658 1.00 0.00 C ATOM 285 C LYS A 20 -8.616 -3.107 8.417 1.00 0.00 C ATOM 286 O LYS A 20 -8.782 -2.065 7.786 1.00 0.00 O ATOM 287 CB LYS A 20 -6.809 -3.438 10.115 1.00 0.00 C ATOM 288 CG LYS A 20 -6.138 -2.096 10.361 1.00 0.00 C ATOM 289 CD LYS A 20 -6.875 -1.289 11.417 1.00 0.00 C ATOM 290 CE LYS A 20 -8.376 -1.296 11.177 1.00 0.00 C ATOM 291 NZ LYS A 20 -9.068 -2.315 12.014 1.00 0.00 N ATOM 0 H LYS A 20 -6.477 -2.077 7.499 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.226 -4.731 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.695 -3.513 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.131 -4.235 10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.107 -2.256 10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.101 -1.531 9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.661 -1.699 12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.510 -0.262 11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.783 -0.309 11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.574 -1.496 10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.458 -3.060 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.390 -2.735 12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.840 -1.863 12.544 1.00 0.00 H new ATOM 305 N THR A 21 -9.620 -3.813 8.926 1.00 0.00 N ATOM 306 CA THR A 21 -11.007 -3.392 8.767 1.00 0.00 C ATOM 307 C THR A 21 -11.421 -2.433 9.877 1.00 0.00 C ATOM 308 O THR A 21 -11.888 -2.855 10.934 1.00 0.00 O ATOM 309 CB THR A 21 -11.963 -4.600 8.766 1.00 0.00 C ATOM 310 OG1 THR A 21 -11.246 -5.796 9.090 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.633 -4.758 7.409 1.00 0.00 C ATOM 0 H THR A 21 -9.499 -4.679 9.452 1.00 0.00 H new ATOM 0 HA THR A 21 -11.075 -2.882 7.806 1.00 0.00 H new ATOM 0 HB THR A 21 -12.733 -4.425 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.863 -6.558 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.303 -5.617 7.432 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.204 -3.859 7.178 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.872 -4.912 6.643 1.00 0.00 H new ATOM 319 N GLN A 22 -11.248 -1.139 9.628 1.00 0.00 N ATOM 320 CA GLN A 22 -11.604 -0.118 10.605 1.00 0.00 C ATOM 321 C GLN A 22 -13.107 0.140 10.601 1.00 0.00 C ATOM 322 O GLN A 22 -13.552 1.282 10.483 1.00 0.00 O ATOM 323 CB GLN A 22 -10.852 1.182 10.315 1.00 0.00 C ATOM 324 CG GLN A 22 -10.280 1.845 11.558 1.00 0.00 C ATOM 325 CD GLN A 22 -11.350 2.477 12.426 1.00 0.00 C ATOM 326 OE1 GLN A 22 -12.501 2.040 12.429 1.00 0.00 O ATOM 327 NE2 GLN A 22 -10.975 3.510 13.170 1.00 0.00 N ATOM 0 H GLN A 22 -10.863 -0.773 8.757 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.318 -0.482 11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.040 0.974 9.618 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.527 1.880 9.819 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.734 1.104 12.142 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.561 2.608 11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.010 3.839 13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.652 3.975 13.775 1.00 0.00 H new ATOM 336 N GLY A 23 -13.887 -0.930 10.729 1.00 0.00 N ATOM 337 CA GLY A 23 -15.331 -0.798 10.737 1.00 0.00 C ATOM 338 C GLY A 23 -15.970 -1.343 9.475 1.00 0.00 C ATOM 339 O GLY A 23 -16.365 -2.509 9.424 1.00 0.00 O ATOM 0 H GLY A 23 -13.543 -1.885 10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.736 -1.324 11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.596 0.253 10.850 1.00 0.00 H new ATOM 343 N ASN A 24 -16.072 -0.499 8.454 1.00 0.00 N ATOM 344 CA ASN A 24 -16.668 -0.902 7.185 1.00 0.00 C ATOM 345 C ASN A 24 -15.818 -0.432 6.010 1.00 0.00 C ATOM 346 O ASN A 24 -16.307 -0.308 4.888 1.00 0.00 O ATOM 347 CB ASN A 24 -18.085 -0.339 7.061 1.00 0.00 C ATOM 348 CG ASN A 24 -18.303 0.879 7.936 1.00 0.00 C ATOM 349 OD1 ASN A 24 -17.488 1.803 7.947 1.00 0.00 O ATOM 350 ND2 ASN A 24 -19.405 0.888 8.677 1.00 0.00 N ATOM 0 H ASN A 24 -15.750 0.468 8.480 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.714 -1.991 7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.278 -0.075 6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.805 -1.111 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.603 1.682 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.053 0.101 8.637 1.00 0.00 H new ATOM 357 N LYS A 25 -14.542 -0.171 6.277 1.00 0.00 N ATOM 358 CA LYS A 25 -13.623 0.286 5.242 1.00 0.00 C ATOM 359 C LYS A 25 -12.215 -0.247 5.490 1.00 0.00 C ATOM 360 O LYS A 25 -11.944 -0.854 6.526 1.00 0.00 O ATOM 361 CB LYS A 25 -13.600 1.814 5.188 1.00 0.00 C ATOM 362 CG LYS A 25 -14.891 2.458 5.668 1.00 0.00 C ATOM 363 CD LYS A 25 -14.744 3.965 5.805 1.00 0.00 C ATOM 364 CE LYS A 25 -13.845 4.334 6.973 1.00 0.00 C ATOM 365 NZ LYS A 25 -12.500 4.785 6.520 1.00 0.00 N ATOM 0 H LYS A 25 -14.122 -0.268 7.201 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.974 -0.099 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.773 2.179 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.405 2.130 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.694 2.232 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.177 2.030 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.332 4.376 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.726 4.416 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.315 5.125 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.736 3.473 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.766 4.258 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.401 4.610 5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.393 5.802 6.709 1.00 0.00 H new ATOM 379 N GLN A 26 -11.322 -0.015 4.533 1.00 0.00 N ATOM 380 CA GLN A 26 -9.943 -0.471 4.648 1.00 0.00 C ATOM 381 C GLN A 26 -9.007 0.695 4.953 1.00 0.00 C ATOM 382 O GLN A 26 -9.085 1.748 4.318 1.00 0.00 O ATOM 383 CB GLN A 26 -9.504 -1.168 3.359 1.00 0.00 C ATOM 384 CG GLN A 26 -10.004 -2.599 3.242 1.00 0.00 C ATOM 385 CD GLN A 26 -9.785 -3.399 4.511 1.00 0.00 C ATOM 386 OE1 GLN A 26 -8.931 -3.063 5.331 1.00 0.00 O ATOM 387 NE2 GLN A 26 -10.559 -4.465 4.678 1.00 0.00 N ATOM 0 H GLN A 26 -11.530 0.486 3.669 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.890 -1.181 5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.864 -0.595 2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.415 -1.167 3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.067 -2.590 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.494 -3.091 2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.254 -4.706 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.458 -5.043 5.513 1.00 0.00 H new ATOM 396 N MET A 27 -8.124 0.501 5.926 1.00 0.00 N ATOM 397 CA MET A 27 -7.174 1.536 6.314 1.00 0.00 C ATOM 398 C MET A 27 -5.752 0.985 6.350 1.00 0.00 C ATOM 399 O MET A 27 -5.547 -0.223 6.467 1.00 0.00 O ATOM 400 CB MET A 27 -7.544 2.111 7.682 1.00 0.00 C ATOM 401 CG MET A 27 -8.909 2.777 7.711 1.00 0.00 C ATOM 402 SD MET A 27 -9.118 3.874 9.127 1.00 0.00 S ATOM 403 CE MET A 27 -7.778 5.032 8.858 1.00 0.00 C ATOM 0 H MET A 27 -8.046 -0.364 6.461 1.00 0.00 H new ATOM 0 HA MET A 27 -7.218 2.331 5.569 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.524 1.310 8.421 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.788 2.838 7.978 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.051 3.346 6.792 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.683 2.010 7.734 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.104 6.035 9.133 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.923 4.747 9.471 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.491 5.019 7.806 1.00 0.00 H new ATOM 413 N LEU A 28 -4.773 1.878 6.249 1.00 0.00 N ATOM 414 CA LEU A 28 -3.370 1.480 6.270 1.00 0.00 C ATOM 415 C LEU A 28 -2.748 1.758 7.634 1.00 0.00 C ATOM 416 O LEU A 28 -2.609 2.912 8.040 1.00 0.00 O ATOM 417 CB LEU A 28 -2.592 2.221 5.181 1.00 0.00 C ATOM 418 CG LEU A 28 -2.940 1.814 3.748 1.00 0.00 C ATOM 419 CD1 LEU A 28 -2.391 2.830 2.758 1.00 0.00 C ATOM 420 CD2 LEU A 28 -2.402 0.425 3.443 1.00 0.00 C ATOM 0 H LEU A 28 -4.925 2.882 6.152 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.318 0.408 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.770 3.291 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.526 2.057 5.341 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.025 1.790 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.648 2.525 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.824 3.809 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.307 2.885 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.659 0.152 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.318 0.421 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.843 -0.295 4.132 1.00 0.00 H new ATOM 432 N CYS A 29 -2.373 0.694 8.336 1.00 0.00 N ATOM 433 CA CYS A 29 -1.766 0.824 9.656 1.00 0.00 C ATOM 434 C CYS A 29 -0.355 0.245 9.666 1.00 0.00 C ATOM 435 O CYS A 29 -0.138 -0.898 9.262 1.00 0.00 O ATOM 436 CB CYS A 29 -2.626 0.122 10.708 1.00 0.00 C ATOM 437 SG CYS A 29 -3.173 1.205 12.066 1.00 0.00 S ATOM 0 H CYS A 29 -2.479 -0.268 8.013 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.705 1.885 9.897 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.504 -0.302 10.220 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.061 -0.711 11.127 1.00 0.00 H new ATOM 442 N THR A 30 0.601 1.041 10.134 1.00 0.00 N ATOM 443 CA THR A 30 1.992 0.610 10.199 1.00 0.00 C ATOM 444 C THR A 30 2.550 0.773 11.607 1.00 0.00 C ATOM 445 O THR A 30 2.200 1.714 12.318 1.00 0.00 O ATOM 446 CB THR A 30 2.879 1.408 9.224 1.00 0.00 C ATOM 447 OG1 THR A 30 2.343 1.337 7.897 1.00 0.00 O ATOM 448 CG2 THR A 30 4.306 0.881 9.233 1.00 0.00 C ATOM 0 H THR A 30 0.437 1.989 10.474 1.00 0.00 H new ATOM 0 HA THR A 30 2.006 -0.443 9.917 1.00 0.00 H new ATOM 0 HB THR A 30 2.892 2.448 9.551 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.369 2.226 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.912 1.461 8.537 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.721 0.971 10.237 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.309 -0.166 8.932 1.00 0.00 H new ATOM 456 N CYS A 31 3.424 -0.145 12.001 1.00 0.00 N ATOM 457 CA CYS A 31 4.035 -0.099 13.323 1.00 0.00 C ATOM 458 C CYS A 31 5.316 0.723 13.291 1.00 0.00 C ATOM 459 O CYS A 31 6.158 0.542 12.412 1.00 0.00 O ATOM 460 CB CYS A 31 4.335 -1.512 13.825 1.00 0.00 C ATOM 461 SG CYS A 31 5.425 -1.565 15.283 1.00 0.00 S ATOM 0 H CYS A 31 3.725 -0.930 11.424 1.00 0.00 H new ATOM 0 HA CYS A 31 3.330 0.375 14.007 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.395 -2.007 14.069 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.796 -2.083 13.019 1.00 0.00 H new ATOM 466 N LEU A 32 5.456 1.626 14.255 1.00 0.00 N ATOM 467 CA LEU A 32 6.635 2.478 14.337 1.00 0.00 C ATOM 468 C LEU A 32 7.044 2.697 15.790 1.00 0.00 C ATOM 469 O LEU A 32 6.214 2.625 16.696 1.00 0.00 O ATOM 470 CB LEU A 32 6.363 3.822 13.658 1.00 0.00 C ATOM 471 CG LEU A 32 6.129 3.746 12.147 1.00 0.00 C ATOM 472 CD1 LEU A 32 5.062 4.743 11.723 1.00 0.00 C ATOM 473 CD2 LEU A 32 7.427 4.000 11.394 1.00 0.00 C ATOM 0 H LEU A 32 4.767 1.786 14.990 1.00 0.00 H new ATOM 0 HA LEU A 32 7.455 1.979 13.821 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.489 4.277 14.124 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.207 4.485 13.847 1.00 0.00 H new ATOM 0 HG LEU A 32 5.779 2.743 11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.908 4.675 10.646 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.128 4.517 12.238 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.384 5.752 11.981 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.243 3.942 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.805 4.991 11.644 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.164 3.249 11.676 1.00 0.00 H new ATOM 485 N GLY A 33 8.328 2.962 16.004 1.00 0.00 N ATOM 486 CA GLY A 33 8.826 3.183 17.349 1.00 0.00 C ATOM 487 C GLY A 33 7.860 3.974 18.209 1.00 0.00 C ATOM 488 O GLY A 33 7.843 3.826 19.431 1.00 0.00 O ATOM 0 H GLY A 33 9.033 3.028 15.270 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.022 2.221 17.822 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.777 3.713 17.297 1.00 0.00 H new ATOM 492 N ASN A 34 7.054 4.818 17.572 1.00 0.00 N ATOM 493 CA ASN A 34 6.084 5.637 18.291 1.00 0.00 C ATOM 494 C ASN A 34 4.787 4.869 18.527 1.00 0.00 C ATOM 495 O ASN A 34 4.129 5.042 19.552 1.00 0.00 O ATOM 496 CB ASN A 34 5.794 6.922 17.513 1.00 0.00 C ATOM 497 CG ASN A 34 5.187 8.003 18.386 1.00 0.00 C ATOM 498 OD1 ASN A 34 3.991 7.983 18.676 1.00 0.00 O ATOM 499 ND2 ASN A 34 6.011 8.954 18.808 1.00 0.00 N ATOM 0 H ASN A 34 7.053 4.953 16.561 1.00 0.00 H new ATOM 0 HA ASN A 34 6.513 5.894 19.260 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.719 7.293 17.071 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.115 6.700 16.690 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.660 9.708 19.398 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.996 8.930 18.543 1.00 0.00 H new ATOM 506 N GLY A 35 4.425 4.021 17.570 1.00 0.00 N ATOM 507 CA GLY A 35 3.209 3.240 17.690 1.00 0.00 C ATOM 508 C GLY A 35 2.519 3.038 16.355 1.00 0.00 C ATOM 509 O GLY A 35 2.819 3.732 15.385 1.00 0.00 O ATOM 0 H GLY A 35 4.953 3.861 16.712 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.445 2.269 18.125 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.526 3.739 18.377 1.00 0.00 H new ATOM 513 N VAL A 36 1.594 2.085 16.303 1.00 0.00 N ATOM 514 CA VAL A 36 0.867 1.797 15.076 1.00 0.00 C ATOM 515 C VAL A 36 0.067 3.013 14.613 1.00 0.00 C ATOM 516 O VAL A 36 -0.693 3.598 15.384 1.00 0.00 O ATOM 517 CB VAL A 36 -0.071 0.581 15.250 1.00 0.00 C ATOM 518 CG1 VAL A 36 0.542 -0.427 16.210 1.00 0.00 C ATOM 519 CG2 VAL A 36 -1.454 1.003 15.729 1.00 0.00 C ATOM 0 H VAL A 36 1.332 1.501 17.097 1.00 0.00 H new ATOM 0 HA VAL A 36 1.606 1.554 14.312 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.191 0.111 14.274 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.130 -1.278 16.322 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.499 -0.770 15.816 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.698 0.043 17.181 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.085 0.121 15.840 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.367 1.510 16.690 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.901 1.680 15.001 1.00 0.00 H new ATOM 529 N SER A 37 0.243 3.385 13.350 1.00 0.00 N ATOM 530 CA SER A 37 -0.462 4.531 12.785 1.00 0.00 C ATOM 531 C SER A 37 -1.302 4.115 11.583 1.00 0.00 C ATOM 532 O SER A 37 -0.775 3.629 10.583 1.00 0.00 O ATOM 533 CB SER A 37 0.534 5.617 12.375 1.00 0.00 C ATOM 534 OG SER A 37 1.668 5.056 11.738 1.00 0.00 O ATOM 0 H SER A 37 0.867 2.910 12.698 1.00 0.00 H new ATOM 0 HA SER A 37 -1.129 4.929 13.550 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.049 6.325 11.703 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.848 6.178 13.255 1.00 0.00 H new ATOM 0 HG SER A 37 1.378 4.389 11.081 1.00 0.00 H new ATOM 540 N CYS A 38 -2.613 4.310 11.687 1.00 0.00 N ATOM 541 CA CYS A 38 -3.527 3.956 10.609 1.00 0.00 C ATOM 542 C CYS A 38 -3.699 5.118 9.636 1.00 0.00 C ATOM 543 O CYS A 38 -3.478 6.275 9.993 1.00 0.00 O ATOM 544 CB CYS A 38 -4.887 3.546 11.178 1.00 0.00 C ATOM 545 SG CYS A 38 -5.047 1.763 11.517 1.00 0.00 S ATOM 0 H CYS A 38 -3.066 4.712 12.508 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.099 3.113 10.067 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.063 4.097 12.102 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.666 3.843 10.476 1.00 0.00 H new ATOM 550 N GLN A 39 -4.095 4.803 8.408 1.00 0.00 N ATOM 551 CA GLN A 39 -4.297 5.821 7.385 1.00 0.00 C ATOM 552 C GLN A 39 -5.412 5.416 6.425 1.00 0.00 C ATOM 553 O GLN A 39 -5.354 4.356 5.802 1.00 0.00 O ATOM 554 CB GLN A 39 -3.001 6.057 6.607 1.00 0.00 C ATOM 555 CG GLN A 39 -2.264 7.320 7.022 1.00 0.00 C ATOM 556 CD GLN A 39 -1.536 7.977 5.864 1.00 0.00 C ATOM 557 OE1 GLN A 39 -0.309 8.069 5.861 1.00 0.00 O ATOM 558 NE2 GLN A 39 -2.293 8.438 4.876 1.00 0.00 N ATOM 0 H GLN A 39 -4.283 3.850 8.097 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.588 6.746 7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.342 5.200 6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.231 6.113 5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.975 8.028 7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.547 7.077 7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.307 8.339 4.922 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.861 8.891 4.071 1.00 0.00 H new ATOM 567 N GLU A 40 -6.427 6.267 6.313 1.00 0.00 N ATOM 568 CA GLU A 40 -7.556 5.997 5.431 1.00 0.00 C ATOM 569 C GLU A 40 -7.389 6.719 4.097 1.00 0.00 C ATOM 570 O GLU A 40 -7.712 7.900 3.976 1.00 0.00 O ATOM 571 CB GLU A 40 -8.866 6.427 6.096 1.00 0.00 C ATOM 572 CG GLU A 40 -8.698 7.567 7.088 1.00 0.00 C ATOM 573 CD GLU A 40 -10.017 8.028 7.673 1.00 0.00 C ATOM 574 OE1 GLU A 40 -11.075 7.582 7.180 1.00 0.00 O ATOM 575 OE2 GLU A 40 -9.994 8.836 8.627 1.00 0.00 O ATOM 0 H GLU A 40 -6.490 7.149 6.822 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.588 4.924 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.574 6.729 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.302 5.570 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.039 7.248 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.211 8.407 6.592 1.00 0.00 H new ATOM 582 N THR A 41 -6.884 6.000 3.101 1.00 0.00 N ATOM 583 CA THR A 41 -6.674 6.571 1.776 1.00 0.00 C ATOM 584 C THR A 41 -7.597 5.928 0.748 1.00 0.00 C ATOM 585 O THR A 41 -7.156 5.509 -0.322 1.00 0.00 O ATOM 586 CB THR A 41 -5.214 6.400 1.315 1.00 0.00 C ATOM 587 OG1 THR A 41 -4.328 6.515 2.435 1.00 0.00 O ATOM 588 CG2 THR A 41 -4.851 7.443 0.268 1.00 0.00 C ATOM 0 H THR A 41 -6.612 5.021 3.186 1.00 0.00 H new ATOM 0 HA THR A 41 -6.902 7.634 1.851 1.00 0.00 H new ATOM 0 HB THR A 41 -5.111 5.410 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.402 6.403 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.816 7.302 -0.042 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.507 7.335 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.971 8.440 0.691 1.00 0.00 H new ATOM 596 N ALA A 42 -8.882 5.855 1.079 1.00 0.00 N ATOM 597 CA ALA A 42 -9.869 5.263 0.184 1.00 0.00 C ATOM 598 C ALA A 42 -9.337 3.981 -0.450 1.00 0.00 C ATOM 599 O ALA A 42 -8.283 3.479 -0.064 1.00 0.00 O ATOM 600 CB ALA A 42 -10.268 6.260 -0.894 1.00 0.00 C ATOM 0 H ALA A 42 -9.264 6.198 1.960 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.750 5.008 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.005 5.805 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.697 7.147 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.388 6.543 -1.472 1.00 0.00 H new ATOM 606 N VAL A 43 -10.076 3.458 -1.423 1.00 0.00 N ATOM 607 CA VAL A 43 -9.679 2.235 -2.110 1.00 0.00 C ATOM 608 C VAL A 43 -9.113 2.540 -3.492 1.00 0.00 C ATOM 609 O VAL A 43 -9.754 3.210 -4.303 1.00 0.00 O ATOM 610 CB VAL A 43 -10.864 1.263 -2.257 1.00 0.00 C ATOM 611 CG1 VAL A 43 -10.837 0.216 -1.153 1.00 0.00 C ATOM 612 CG2 VAL A 43 -12.182 2.022 -2.250 1.00 0.00 C ATOM 0 H VAL A 43 -10.952 3.862 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.908 1.766 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.772 0.750 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.682 -0.462 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.907 -0.350 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.903 0.708 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.008 1.318 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -12.285 2.564 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -12.200 2.728 -3.080 1.00 0.00 H new ATOM 622 N THR A 44 -7.908 2.046 -3.755 1.00 0.00 N ATOM 623 CA THR A 44 -7.255 2.265 -5.040 1.00 0.00 C ATOM 624 C THR A 44 -8.269 2.260 -6.179 1.00 0.00 C ATOM 625 O THR A 44 -8.851 1.224 -6.501 1.00 0.00 O ATOM 626 CB THR A 44 -6.185 1.194 -5.317 1.00 0.00 C ATOM 627 OG1 THR A 44 -5.952 0.416 -4.137 1.00 0.00 O ATOM 628 CG2 THR A 44 -4.881 1.836 -5.771 1.00 0.00 C ATOM 0 H THR A 44 -7.364 1.491 -3.095 1.00 0.00 H new ATOM 0 HA THR A 44 -6.775 3.242 -4.988 1.00 0.00 H new ATOM 0 HB THR A 44 -6.550 0.546 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.271 -0.264 -4.323 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.140 1.060 -5.961 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.054 2.404 -6.685 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.514 2.505 -4.992 1.00 0.00 H new ATOM 636 N GLN A 45 -8.475 3.425 -6.786 1.00 0.00 N ATOM 637 CA GLN A 45 -9.418 3.554 -7.890 1.00 0.00 C ATOM 638 C GLN A 45 -8.818 4.378 -9.026 1.00 0.00 C ATOM 639 O GLN A 45 -8.657 5.593 -8.906 1.00 0.00 O ATOM 640 CB GLN A 45 -10.717 4.202 -7.405 1.00 0.00 C ATOM 641 CG GLN A 45 -11.560 4.788 -8.526 1.00 0.00 C ATOM 642 CD GLN A 45 -12.083 3.728 -9.477 1.00 0.00 C ATOM 643 OE1 GLN A 45 -11.311 3.057 -10.163 1.00 0.00 O ATOM 644 NE2 GLN A 45 -13.400 3.572 -9.523 1.00 0.00 N ATOM 0 H GLN A 45 -8.002 4.292 -6.532 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.637 2.555 -8.267 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.306 3.458 -6.869 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.476 4.991 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.401 5.333 -8.097 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.964 5.510 -9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.003 4.150 -8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.810 2.874 -10.144 1.00 0.00 H new ATOM 653 N THR A 46 -8.490 3.709 -10.125 1.00 0.00 N ATOM 654 CA THR A 46 -7.908 4.379 -11.282 1.00 0.00 C ATOM 655 C THR A 46 -8.641 5.680 -11.590 1.00 0.00 C ATOM 656 O THR A 46 -9.662 5.989 -10.976 1.00 0.00 O ATOM 657 CB THR A 46 -7.942 3.477 -12.530 1.00 0.00 C ATOM 658 OG1 THR A 46 -9.296 3.141 -12.855 1.00 0.00 O ATOM 659 CG2 THR A 46 -7.141 2.205 -12.300 1.00 0.00 C ATOM 0 H THR A 46 -8.617 2.703 -10.239 1.00 0.00 H new ATOM 0 HA THR A 46 -6.871 4.600 -11.030 1.00 0.00 H new ATOM 0 HB THR A 46 -7.495 4.025 -13.359 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.325 2.245 -13.252 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.180 1.584 -13.195 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.105 2.462 -12.081 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.564 1.656 -11.459 1.00 0.00 H new ATOM 667 N TYR A 47 -8.112 6.439 -12.544 1.00 0.00 N ATOM 668 CA TYR A 47 -8.717 7.708 -12.934 1.00 0.00 C ATOM 669 C TYR A 47 -7.886 8.397 -14.013 1.00 0.00 C ATOM 670 O TYR A 47 -6.677 8.187 -14.109 1.00 0.00 O ATOM 671 CB TYR A 47 -8.855 8.626 -11.717 1.00 0.00 C ATOM 672 CG TYR A 47 -7.537 9.163 -11.209 1.00 0.00 C ATOM 673 CD1 TYR A 47 -6.824 10.108 -11.935 1.00 0.00 C ATOM 674 CD2 TYR A 47 -7.006 8.725 -10.003 1.00 0.00 C ATOM 675 CE1 TYR A 47 -5.618 10.602 -11.474 1.00 0.00 C ATOM 676 CE2 TYR A 47 -5.801 9.214 -9.535 1.00 0.00 C ATOM 677 CZ TYR A 47 -5.111 10.152 -10.274 1.00 0.00 C ATOM 678 OH TYR A 47 -3.911 10.640 -9.811 1.00 0.00 O ATOM 0 H TYR A 47 -7.266 6.198 -13.061 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.708 7.501 -13.339 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.503 9.463 -11.976 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.348 8.078 -10.914 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.218 10.463 -12.876 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.543 7.990 -9.421 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.076 11.337 -12.051 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.402 8.863 -8.595 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.787 11.559 -10.129 1.00 0.00 H new ATOM 688 N GLY A 48 -8.545 9.220 -14.823 1.00 0.00 N ATOM 689 CA GLY A 48 -7.853 9.927 -15.884 1.00 0.00 C ATOM 690 C GLY A 48 -6.932 9.023 -16.679 1.00 0.00 C ATOM 691 O GLY A 48 -6.844 7.824 -16.412 1.00 0.00 O ATOM 0 H GLY A 48 -9.545 9.409 -14.763 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.585 10.375 -16.555 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.273 10.744 -15.454 1.00 0.00 H new ATOM 695 N GLY A 49 -6.243 9.598 -17.659 1.00 0.00 N ATOM 696 CA GLY A 49 -5.332 8.822 -18.480 1.00 0.00 C ATOM 697 C GLY A 49 -5.906 8.510 -19.847 1.00 0.00 C ATOM 698 O GLY A 49 -6.852 9.160 -20.294 1.00 0.00 O ATOM 0 H GLY A 49 -6.299 10.588 -17.899 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.398 9.371 -18.598 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.092 7.890 -17.969 1.00 0.00 H new ATOM 702 N ASN A 50 -5.334 7.513 -20.515 1.00 0.00 N ATOM 703 CA ASN A 50 -5.795 7.116 -21.840 1.00 0.00 C ATOM 704 C ASN A 50 -6.881 6.050 -21.742 1.00 0.00 C ATOM 705 O ASN A 50 -7.049 5.236 -22.649 1.00 0.00 O ATOM 706 CB ASN A 50 -4.624 6.592 -22.674 1.00 0.00 C ATOM 707 CG ASN A 50 -3.712 7.704 -23.152 1.00 0.00 C ATOM 708 OD1 ASN A 50 -4.149 8.836 -23.360 1.00 0.00 O ATOM 709 ND2 ASN A 50 -2.434 7.386 -23.331 1.00 0.00 N ATOM 0 H ASN A 50 -4.550 6.965 -20.160 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.217 7.994 -22.329 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.047 5.883 -22.080 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.010 6.047 -23.535 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.773 8.093 -23.653 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.114 6.435 -23.146 1.00 0.00 H new ATOM 716 N SER A 51 -7.617 6.063 -20.635 1.00 0.00 N ATOM 717 CA SER A 51 -8.688 5.097 -20.419 1.00 0.00 C ATOM 718 C SER A 51 -9.868 5.746 -19.703 1.00 0.00 C ATOM 719 O SER A 51 -10.769 5.058 -19.221 1.00 0.00 O ATOM 720 CB SER A 51 -8.175 3.908 -19.605 1.00 0.00 C ATOM 721 OG SER A 51 -8.743 2.693 -20.061 1.00 0.00 O ATOM 0 H SER A 51 -7.491 6.731 -19.875 1.00 0.00 H new ATOM 0 HA SER A 51 -9.026 4.743 -21.393 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.089 3.855 -19.678 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.417 4.053 -18.552 1.00 0.00 H new ATOM 0 HG SER A 51 -9.720 2.764 -20.048 1.00 0.00 H new ATOM 727 N ASN A 52 -9.858 7.074 -19.638 1.00 0.00 N ATOM 728 CA ASN A 52 -10.928 7.815 -18.982 1.00 0.00 C ATOM 729 C ASN A 52 -11.028 7.435 -17.508 1.00 0.00 C ATOM 730 O ASN A 52 -12.013 7.751 -16.841 1.00 0.00 O ATOM 731 CB ASN A 52 -12.263 7.550 -19.681 1.00 0.00 C ATOM 732 CG ASN A 52 -13.434 8.173 -18.946 1.00 0.00 C ATOM 733 OD1 ASN A 52 -13.278 9.160 -18.229 1.00 0.00 O ATOM 734 ND2 ASN A 52 -14.617 7.595 -19.122 1.00 0.00 N ATOM 0 H ASN A 52 -9.120 7.658 -20.032 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.695 8.878 -19.050 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.223 7.945 -20.696 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.420 6.474 -19.763 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.442 7.969 -18.653 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.700 6.777 -19.726 1.00 0.00 H new ATOM 741 N GLY A 53 -10.002 6.756 -17.006 1.00 0.00 N ATOM 742 CA GLY A 53 -9.995 6.344 -15.615 1.00 0.00 C ATOM 743 C GLY A 53 -10.772 5.063 -15.385 1.00 0.00 C ATOM 744 O GLY A 53 -11.641 5.004 -14.514 1.00 0.00 O ATOM 0 H GLY A 53 -9.175 6.484 -17.538 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.965 6.205 -15.286 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.421 7.138 -15.002 1.00 0.00 H new ATOM 748 N GLU A 54 -10.460 4.035 -16.167 1.00 0.00 N ATOM 749 CA GLU A 54 -11.135 2.749 -16.043 1.00 0.00 C ATOM 750 C GLU A 54 -10.230 1.721 -15.370 1.00 0.00 C ATOM 751 O GLU A 54 -9.135 2.047 -14.913 1.00 0.00 O ATOM 752 CB GLU A 54 -11.571 2.245 -17.421 1.00 0.00 C ATOM 753 CG GLU A 54 -13.077 2.137 -17.583 1.00 0.00 C ATOM 754 CD GLU A 54 -13.617 3.058 -18.659 1.00 0.00 C ATOM 755 OE1 GLU A 54 -13.318 2.821 -19.848 1.00 0.00 O ATOM 756 OE2 GLU A 54 -14.339 4.016 -18.313 1.00 0.00 O ATOM 0 H GLU A 54 -9.744 4.068 -16.893 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.018 2.887 -15.420 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.180 2.917 -18.185 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.124 1.267 -17.598 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.339 1.107 -17.827 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.558 2.372 -16.634 1.00 0.00 H new ATOM 763 N PRO A 55 -10.687 0.462 -15.300 1.00 0.00 N ATOM 764 CA PRO A 55 -9.934 -0.630 -14.679 1.00 0.00 C ATOM 765 C PRO A 55 -8.740 -1.061 -15.524 1.00 0.00 C ATOM 766 O PRO A 55 -8.902 -1.679 -16.576 1.00 0.00 O ATOM 767 CB PRO A 55 -10.959 -1.772 -14.577 1.00 0.00 C ATOM 768 CG PRO A 55 -12.281 -1.158 -14.916 1.00 0.00 C ATOM 769 CD PRO A 55 -11.976 0.002 -15.815 1.00 0.00 C ATOM 0 HA PRO A 55 -9.515 -0.335 -13.717 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.714 -2.581 -15.266 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.971 -2.200 -13.574 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.930 -1.878 -15.414 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.801 -0.829 -14.016 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.913 -0.299 -16.861 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.740 0.777 -15.752 1.00 0.00 H new ATOM 777 N CYS A 56 -7.541 -0.730 -15.057 1.00 0.00 N ATOM 778 CA CYS A 56 -6.319 -1.084 -15.771 1.00 0.00 C ATOM 779 C CYS A 56 -6.316 -2.561 -16.145 1.00 0.00 C ATOM 780 O CYS A 56 -7.306 -3.265 -15.949 1.00 0.00 O ATOM 781 CB CYS A 56 -5.092 -0.758 -14.917 1.00 0.00 C ATOM 782 SG CYS A 56 -4.595 0.994 -14.965 1.00 0.00 S ATOM 0 H CYS A 56 -7.389 -0.218 -14.188 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.280 -0.497 -16.688 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.297 -1.038 -13.884 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.256 -1.371 -15.253 1.00 0.00 H new ATOM 787 N VAL A 57 -5.195 -3.024 -16.690 1.00 0.00 N ATOM 788 CA VAL A 57 -5.064 -4.417 -17.096 1.00 0.00 C ATOM 789 C VAL A 57 -3.612 -4.878 -17.018 1.00 0.00 C ATOM 790 O VAL A 57 -2.885 -4.846 -18.010 1.00 0.00 O ATOM 791 CB VAL A 57 -5.581 -4.635 -18.530 1.00 0.00 C ATOM 792 CG1 VAL A 57 -6.065 -6.065 -18.713 1.00 0.00 C ATOM 793 CG2 VAL A 57 -6.689 -3.642 -18.852 1.00 0.00 C ATOM 0 H VAL A 57 -4.366 -2.455 -16.860 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.668 -5.005 -16.405 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.758 -4.465 -19.224 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.426 -6.199 -19.733 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.242 -6.754 -18.526 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.874 -6.268 -18.012 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.043 -3.809 -19.869 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.514 -3.778 -18.153 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.304 -2.626 -18.765 1.00 0.00 H new ATOM 803 N LEU A 58 -3.195 -5.306 -15.830 1.00 0.00 N ATOM 804 CA LEU A 58 -1.831 -5.774 -15.621 1.00 0.00 C ATOM 805 C LEU A 58 -1.811 -7.265 -15.297 1.00 0.00 C ATOM 806 O LEU A 58 -2.861 -7.903 -15.209 1.00 0.00 O ATOM 807 CB LEU A 58 -1.169 -4.983 -14.490 1.00 0.00 C ATOM 808 CG LEU A 58 -2.053 -3.914 -13.845 1.00 0.00 C ATOM 809 CD1 LEU A 58 -2.839 -4.503 -12.684 1.00 0.00 C ATOM 810 CD2 LEU A 58 -1.210 -2.735 -13.379 1.00 0.00 C ATOM 0 H LEU A 58 -3.784 -5.338 -14.998 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.271 -5.615 -16.543 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.848 -5.682 -13.718 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.271 -4.504 -14.879 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.761 -3.555 -14.592 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.462 -3.729 -12.237 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.471 -5.314 -13.047 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.147 -4.889 -11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.855 -1.984 -12.923 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.478 -3.078 -12.647 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.692 -2.298 -14.233 1.00 0.00 H new ATOM 822 N PRO A 59 -0.612 -7.844 -15.117 1.00 0.00 N ATOM 823 CA PRO A 59 0.657 -7.112 -15.215 1.00 0.00 C ATOM 824 C PRO A 59 0.866 -6.495 -16.594 1.00 0.00 C ATOM 825 O PRO A 59 0.496 -7.083 -17.610 1.00 0.00 O ATOM 826 CB PRO A 59 1.719 -8.185 -14.948 1.00 0.00 C ATOM 827 CG PRO A 59 0.994 -9.285 -14.252 1.00 0.00 C ATOM 828 CD PRO A 59 -0.404 -9.265 -14.800 1.00 0.00 C ATOM 0 HA PRO A 59 0.693 -6.276 -14.517 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.168 -8.535 -15.878 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.528 -7.794 -14.331 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.473 -10.247 -14.437 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.993 -9.131 -13.173 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.500 -9.895 -15.685 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.129 -9.627 -14.071 1.00 0.00 H new ATOM 836 N PHE A 60 1.463 -5.308 -16.621 1.00 0.00 N ATOM 837 CA PHE A 60 1.722 -4.611 -17.875 1.00 0.00 C ATOM 838 C PHE A 60 3.179 -4.171 -17.962 1.00 0.00 C ATOM 839 O PHE A 60 3.686 -3.490 -17.070 1.00 0.00 O ATOM 840 CB PHE A 60 0.801 -3.397 -18.009 1.00 0.00 C ATOM 841 CG PHE A 60 1.279 -2.195 -17.246 1.00 0.00 C ATOM 842 CD1 PHE A 60 1.214 -2.164 -15.862 1.00 0.00 C ATOM 843 CD2 PHE A 60 1.792 -1.094 -17.913 1.00 0.00 C ATOM 844 CE1 PHE A 60 1.653 -1.059 -15.158 1.00 0.00 C ATOM 845 CE2 PHE A 60 2.233 0.014 -17.215 1.00 0.00 C ATOM 846 CZ PHE A 60 2.162 0.032 -15.835 1.00 0.00 C ATOM 0 H PHE A 60 1.776 -4.809 -15.789 1.00 0.00 H new ATOM 0 HA PHE A 60 1.521 -5.302 -18.693 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.709 -3.135 -19.063 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.196 -3.667 -17.659 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.816 -3.014 -15.327 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.848 -1.102 -18.992 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.598 -1.048 -14.079 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.633 0.865 -17.747 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.504 0.898 -15.287 1.00 0.00 H new ATOM 856 N THR A 61 3.849 -4.564 -19.040 1.00 0.00 N ATOM 857 CA THR A 61 5.245 -4.212 -19.245 1.00 0.00 C ATOM 858 C THR A 61 5.376 -2.846 -19.910 1.00 0.00 C ATOM 859 O THR A 61 4.522 -2.446 -20.701 1.00 0.00 O ATOM 860 CB THR A 61 5.958 -5.262 -20.113 1.00 0.00 C ATOM 861 OG1 THR A 61 5.109 -5.662 -21.196 1.00 0.00 O ATOM 862 CG2 THR A 61 6.342 -6.481 -19.289 1.00 0.00 C ATOM 0 H THR A 61 3.444 -5.129 -19.787 1.00 0.00 H new ATOM 0 HA THR A 61 5.714 -4.179 -18.262 1.00 0.00 H new ATOM 0 HB THR A 61 6.868 -4.812 -20.510 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.571 -6.329 -21.745 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.845 -7.208 -19.927 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.013 -6.180 -18.484 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.444 -6.930 -18.864 1.00 0.00 H new ATOM 870 N TYR A 62 6.452 -2.135 -19.588 1.00 0.00 N ATOM 871 CA TYR A 62 6.693 -0.814 -20.160 1.00 0.00 C ATOM 872 C TYR A 62 8.168 -0.435 -20.055 1.00 0.00 C ATOM 873 O TYR A 62 8.764 -0.499 -18.979 1.00 0.00 O ATOM 874 CB TYR A 62 5.824 0.237 -19.463 1.00 0.00 C ATOM 875 CG TYR A 62 6.347 1.650 -19.603 1.00 0.00 C ATOM 876 CD1 TYR A 62 6.127 2.380 -20.763 1.00 0.00 C ATOM 877 CD2 TYR A 62 7.059 2.252 -18.574 1.00 0.00 C ATOM 878 CE1 TYR A 62 6.602 3.670 -20.895 1.00 0.00 C ATOM 879 CE2 TYR A 62 7.537 3.543 -18.697 1.00 0.00 C ATOM 880 CZ TYR A 62 7.307 4.247 -19.859 1.00 0.00 C ATOM 881 OH TYR A 62 7.780 5.533 -19.987 1.00 0.00 O ATOM 0 H TYR A 62 7.170 -2.450 -18.935 1.00 0.00 H new ATOM 0 HA TYR A 62 6.424 -0.848 -21.216 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.815 0.190 -19.872 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.750 -0.010 -18.404 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.575 1.932 -21.576 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.242 1.702 -17.663 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.423 4.224 -21.804 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.088 3.998 -17.887 1.00 0.00 H new ATOM 0 HH TYR A 62 8.254 5.790 -19.169 1.00 0.00 H new ATOM 891 N ASN A 63 8.754 -0.046 -21.185 1.00 0.00 N ATOM 892 CA ASN A 63 10.161 0.343 -21.228 1.00 0.00 C ATOM 893 C ASN A 63 11.085 -0.873 -21.196 1.00 0.00 C ATOM 894 O ASN A 63 12.288 -0.753 -21.432 1.00 0.00 O ATOM 895 CB ASN A 63 10.488 1.274 -20.058 1.00 0.00 C ATOM 896 CG ASN A 63 10.871 2.668 -20.514 1.00 0.00 C ATOM 897 OD1 ASN A 63 11.571 2.836 -21.512 1.00 0.00 O ATOM 898 ND2 ASN A 63 10.411 3.674 -19.781 1.00 0.00 N ATOM 0 H ASN A 63 8.275 0.008 -22.084 1.00 0.00 H new ATOM 0 HA ASN A 63 10.328 0.867 -22.169 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.625 1.336 -19.396 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.306 0.848 -19.477 1.00 0.00 H new ATOM 0 HD21 ASN A 63 10.635 4.636 -20.037 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.834 3.486 -18.961 1.00 0.00 H new ATOM 905 N GLY A 64 10.527 -2.042 -20.894 1.00 0.00 N ATOM 906 CA GLY A 64 11.322 -3.251 -20.828 1.00 0.00 C ATOM 907 C GLY A 64 11.165 -3.957 -19.498 1.00 0.00 C ATOM 908 O GLY A 64 11.784 -4.994 -19.257 1.00 0.00 O ATOM 0 H GLY A 64 9.535 -2.171 -20.694 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.027 -3.924 -21.633 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.372 -3.004 -20.987 1.00 0.00 H new ATOM 912 N ARG A 65 10.332 -3.389 -18.631 1.00 0.00 N ATOM 913 CA ARG A 65 10.088 -3.962 -17.315 1.00 0.00 C ATOM 914 C ARG A 65 8.625 -4.384 -17.180 1.00 0.00 C ATOM 915 O ARG A 65 7.727 -3.704 -17.674 1.00 0.00 O ATOM 916 CB ARG A 65 10.486 -2.944 -16.228 1.00 0.00 C ATOM 917 CG ARG A 65 9.370 -2.551 -15.269 1.00 0.00 C ATOM 918 CD ARG A 65 9.311 -3.470 -14.055 1.00 0.00 C ATOM 919 NE ARG A 65 9.744 -4.833 -14.359 1.00 0.00 N ATOM 920 CZ ARG A 65 9.400 -5.892 -13.633 1.00 0.00 C ATOM 921 NH1 ARG A 65 8.626 -5.744 -12.568 1.00 0.00 N ATOM 922 NH2 ARG A 65 9.832 -7.099 -13.971 1.00 0.00 N ATOM 0 H ARG A 65 9.814 -2.530 -18.819 1.00 0.00 H new ATOM 0 HA ARG A 65 10.699 -4.856 -17.188 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.312 -3.358 -15.649 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.859 -2.043 -16.715 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.521 -1.523 -14.939 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.415 -2.580 -15.793 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.939 -3.061 -13.264 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.291 -3.494 -13.671 1.00 0.00 H new ATOM 0 HE ARG A 65 10.342 -4.979 -15.172 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.293 -4.817 -12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.363 -6.558 -12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.429 -7.216 -14.789 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.567 -7.910 -13.413 1.00 0.00 H new ATOM 936 N THR A 66 8.392 -5.508 -16.510 1.00 0.00 N ATOM 937 CA THR A 66 7.038 -6.012 -16.317 1.00 0.00 C ATOM 938 C THR A 66 6.461 -5.542 -14.986 1.00 0.00 C ATOM 939 O THR A 66 6.673 -6.170 -13.949 1.00 0.00 O ATOM 940 CB THR A 66 6.997 -7.549 -16.367 1.00 0.00 C ATOM 941 OG1 THR A 66 7.612 -8.018 -17.573 1.00 0.00 O ATOM 942 CG2 THR A 66 5.564 -8.055 -16.294 1.00 0.00 C ATOM 0 H THR A 66 9.122 -6.086 -16.093 1.00 0.00 H new ATOM 0 HA THR A 66 6.434 -5.614 -17.133 1.00 0.00 H new ATOM 0 HB THR A 66 7.546 -7.932 -15.507 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.583 -8.997 -17.596 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.560 -9.144 -16.331 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.108 -7.722 -15.362 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.996 -7.661 -17.137 1.00 0.00 H new ATOM 950 N PHE A 67 5.729 -4.432 -15.022 1.00 0.00 N ATOM 951 CA PHE A 67 5.120 -3.877 -13.819 1.00 0.00 C ATOM 952 C PHE A 67 3.864 -4.653 -13.438 1.00 0.00 C ATOM 953 O PHE A 67 2.890 -4.686 -14.190 1.00 0.00 O ATOM 954 CB PHE A 67 4.778 -2.401 -14.030 1.00 0.00 C ATOM 955 CG PHE A 67 5.869 -1.620 -14.705 1.00 0.00 C ATOM 956 CD1 PHE A 67 6.037 -1.685 -16.078 1.00 0.00 C ATOM 957 CD2 PHE A 67 6.728 -0.823 -13.965 1.00 0.00 C ATOM 958 CE1 PHE A 67 7.041 -0.969 -16.702 1.00 0.00 C ATOM 959 CE2 PHE A 67 7.735 -0.105 -14.584 1.00 0.00 C ATOM 960 CZ PHE A 67 7.891 -0.179 -15.954 1.00 0.00 C ATOM 0 H PHE A 67 5.544 -3.900 -15.872 1.00 0.00 H new ATOM 0 HA PHE A 67 5.839 -3.963 -13.004 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.869 -2.329 -14.627 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.561 -1.945 -13.064 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.376 -2.302 -16.668 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.610 -0.762 -12.893 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.161 -1.027 -17.774 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.398 0.513 -13.997 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.677 0.380 -16.440 1.00 0.00 H new ATOM 970 N TYR A 68 3.894 -5.276 -12.264 1.00 0.00 N ATOM 971 CA TYR A 68 2.756 -6.053 -11.782 1.00 0.00 C ATOM 972 C TYR A 68 1.811 -5.181 -10.962 1.00 0.00 C ATOM 973 O TYR A 68 1.045 -5.683 -10.140 1.00 0.00 O ATOM 974 CB TYR A 68 3.239 -7.234 -10.940 1.00 0.00 C ATOM 975 CG TYR A 68 3.599 -8.455 -11.756 1.00 0.00 C ATOM 976 CD1 TYR A 68 4.744 -8.475 -12.543 1.00 0.00 C ATOM 977 CD2 TYR A 68 2.793 -9.587 -11.740 1.00 0.00 C ATOM 978 CE1 TYR A 68 5.076 -9.589 -13.291 1.00 0.00 C ATOM 979 CE2 TYR A 68 3.120 -10.705 -12.484 1.00 0.00 C ATOM 980 CZ TYR A 68 4.261 -10.701 -13.258 1.00 0.00 C ATOM 981 OH TYR A 68 4.588 -11.811 -14.001 1.00 0.00 O ATOM 0 H TYR A 68 4.692 -5.258 -11.629 1.00 0.00 H new ATOM 0 HA TYR A 68 2.213 -6.432 -12.648 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.110 -6.925 -10.362 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.461 -7.502 -10.226 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.385 -7.606 -12.571 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.897 -9.593 -11.137 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.969 -9.589 -13.898 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.485 -11.578 -12.459 1.00 0.00 H new ATOM 0 HH TYR A 68 3.911 -12.507 -13.865 1.00 0.00 H new ATOM 991 N SER A 69 1.870 -3.873 -11.192 1.00 0.00 N ATOM 992 CA SER A 69 1.019 -2.931 -10.475 1.00 0.00 C ATOM 993 C SER A 69 1.355 -1.494 -10.858 1.00 0.00 C ATOM 994 O SER A 69 2.437 -1.214 -11.373 1.00 0.00 O ATOM 995 CB SER A 69 1.175 -3.119 -8.964 1.00 0.00 C ATOM 996 OG SER A 69 -0.030 -2.814 -8.285 1.00 0.00 O ATOM 0 H SER A 69 2.499 -3.442 -11.870 1.00 0.00 H new ATOM 0 HA SER A 69 -0.016 -3.129 -10.754 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.466 -4.148 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.976 -2.478 -8.595 1.00 0.00 H new ATOM 0 HG SER A 69 -0.085 -1.847 -8.134 1.00 0.00 H new ATOM 1002 N CYS A 70 0.420 -0.585 -10.603 1.00 0.00 N ATOM 1003 CA CYS A 70 0.616 0.824 -10.921 1.00 0.00 C ATOM 1004 C CYS A 70 2.066 1.238 -10.685 1.00 0.00 C ATOM 1005 O CYS A 70 2.716 0.756 -9.758 1.00 0.00 O ATOM 1006 CB CYS A 70 -0.318 1.695 -10.078 1.00 0.00 C ATOM 1007 SG CYS A 70 -0.948 3.168 -10.945 1.00 0.00 S ATOM 0 H CYS A 70 -0.482 -0.799 -10.177 1.00 0.00 H new ATOM 0 HA CYS A 70 0.382 0.968 -11.976 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.164 1.090 -9.751 1.00 0.00 H new ATOM 0 HB3 CYS A 70 0.212 2.014 -9.181 1.00 0.00 H new ATOM 1012 N THR A 71 2.564 2.134 -11.531 1.00 0.00 N ATOM 1013 CA THR A 71 3.937 2.612 -11.415 1.00 0.00 C ATOM 1014 C THR A 71 4.049 4.071 -11.845 1.00 0.00 C ATOM 1015 O THR A 71 3.304 4.533 -12.710 1.00 0.00 O ATOM 1016 CB THR A 71 4.901 1.764 -12.263 1.00 0.00 C ATOM 1017 OG1 THR A 71 6.250 1.970 -11.826 1.00 0.00 O ATOM 1018 CG2 THR A 71 4.782 2.120 -13.737 1.00 0.00 C ATOM 0 H THR A 71 2.038 2.543 -12.303 1.00 0.00 H new ATOM 0 HA THR A 71 4.215 2.523 -10.365 1.00 0.00 H new ATOM 0 HB THR A 71 4.634 0.715 -12.135 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.857 1.425 -12.370 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.473 1.508 -14.316 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.762 1.935 -14.075 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.025 3.173 -13.878 1.00 0.00 H new ATOM 1026 N THR A 72 4.984 4.792 -11.237 1.00 0.00 N ATOM 1027 CA THR A 72 5.194 6.199 -11.557 1.00 0.00 C ATOM 1028 C THR A 72 6.069 6.355 -12.796 1.00 0.00 C ATOM 1029 O THR A 72 6.002 7.369 -13.491 1.00 0.00 O ATOM 1030 CB THR A 72 5.849 6.951 -10.383 1.00 0.00 C ATOM 1031 OG1 THR A 72 6.913 6.166 -9.830 1.00 0.00 O ATOM 1032 CG2 THR A 72 4.826 7.261 -9.301 1.00 0.00 C ATOM 0 H THR A 72 5.609 4.425 -10.519 1.00 0.00 H new ATOM 0 HA THR A 72 4.212 6.629 -11.751 1.00 0.00 H new ATOM 0 HB THR A 72 6.251 7.891 -10.762 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.325 6.652 -9.085 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.312 7.792 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.033 7.883 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.399 6.331 -8.927 1.00 0.00 H new ATOM 1040 N GLU A 73 6.887 5.344 -13.068 1.00 0.00 N ATOM 1041 CA GLU A 73 7.775 5.369 -14.224 1.00 0.00 C ATOM 1042 C GLU A 73 7.106 6.058 -15.410 1.00 0.00 C ATOM 1043 O GLU A 73 6.220 5.492 -16.049 1.00 0.00 O ATOM 1044 CB GLU A 73 8.184 3.947 -14.610 1.00 0.00 C ATOM 1045 CG GLU A 73 9.660 3.657 -14.388 1.00 0.00 C ATOM 1046 CD GLU A 73 10.025 2.220 -14.701 1.00 0.00 C ATOM 1047 OE1 GLU A 73 10.068 1.865 -15.898 1.00 0.00 O ATOM 1048 OE2 GLU A 73 10.269 1.447 -13.750 1.00 0.00 O ATOM 0 H GLU A 73 6.953 4.497 -12.504 1.00 0.00 H new ATOM 0 HA GLU A 73 8.666 5.935 -13.954 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.592 3.238 -14.032 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.944 3.781 -15.660 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.255 4.323 -15.012 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.918 3.876 -13.352 1.00 0.00 H new ATOM 1055 N GLY A 74 7.538 7.281 -15.697 1.00 0.00 N ATOM 1056 CA GLY A 74 6.969 8.026 -16.805 1.00 0.00 C ATOM 1057 C GLY A 74 6.267 9.292 -16.355 1.00 0.00 C ATOM 1058 O GLY A 74 6.562 10.382 -16.849 1.00 0.00 O ATOM 0 H GLY A 74 8.271 7.769 -15.183 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.760 8.284 -17.509 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.261 7.392 -17.339 1.00 0.00 H new ATOM 1062 N ARG A 75 5.338 9.149 -15.416 1.00 0.00 N ATOM 1063 CA ARG A 75 4.593 10.291 -14.900 1.00 0.00 C ATOM 1064 C ARG A 75 5.432 11.083 -13.903 1.00 0.00 C ATOM 1065 O ARG A 75 6.512 10.650 -13.503 1.00 0.00 O ATOM 1066 CB ARG A 75 3.297 9.821 -14.233 1.00 0.00 C ATOM 1067 CG ARG A 75 2.278 9.262 -15.212 1.00 0.00 C ATOM 1068 CD ARG A 75 0.946 9.986 -15.102 1.00 0.00 C ATOM 1069 NE ARG A 75 0.426 9.974 -13.738 1.00 0.00 N ATOM 1070 CZ ARG A 75 -0.768 10.450 -13.401 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -1.560 10.976 -14.326 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -1.170 10.402 -12.139 1.00 0.00 N ATOM 0 H ARG A 75 5.083 8.254 -14.997 1.00 0.00 H new ATOM 0 HA ARG A 75 4.348 10.942 -15.739 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.535 9.057 -13.493 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.851 10.657 -13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.660 9.353 -16.229 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.133 8.199 -15.020 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.066 11.017 -15.435 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.223 9.517 -15.769 1.00 0.00 H new ATOM 0 HE ARG A 75 1.012 9.578 -13.003 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.253 11.016 -15.298 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.476 11.341 -14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.563 9.999 -11.425 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.087 10.768 -11.882 1.00 0.00 H new ATOM 1086 N GLN A 76 4.927 12.247 -13.506 1.00 0.00 N ATOM 1087 CA GLN A 76 5.630 13.101 -12.555 1.00 0.00 C ATOM 1088 C GLN A 76 4.650 13.776 -11.602 1.00 0.00 C ATOM 1089 O GLN A 76 4.972 14.788 -10.978 1.00 0.00 O ATOM 1090 CB GLN A 76 6.449 14.158 -13.297 1.00 0.00 C ATOM 1091 CG GLN A 76 7.908 13.775 -13.488 1.00 0.00 C ATOM 1092 CD GLN A 76 8.855 14.920 -13.189 1.00 0.00 C ATOM 1093 OE1 GLN A 76 8.892 15.916 -13.912 1.00 0.00 O ATOM 1094 NE2 GLN A 76 9.630 14.783 -12.120 1.00 0.00 N ATOM 0 H GLN A 76 4.034 12.620 -13.828 1.00 0.00 H new ATOM 0 HA GLN A 76 6.303 12.474 -11.970 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.998 14.336 -14.273 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.398 15.097 -12.747 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.147 12.932 -12.839 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.061 13.441 -14.514 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.566 13.941 -11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.289 15.520 -11.870 1.00 0.00 H new ATOM 1103 N ASP A 77 3.452 13.210 -11.494 1.00 0.00 N ATOM 1104 CA ASP A 77 2.424 13.758 -10.617 1.00 0.00 C ATOM 1105 C ASP A 77 2.238 12.880 -9.383 1.00 0.00 C ATOM 1106 O ASP A 77 1.189 12.911 -8.739 1.00 0.00 O ATOM 1107 CB ASP A 77 1.098 13.887 -11.369 1.00 0.00 C ATOM 1108 CG ASP A 77 0.339 12.576 -11.437 1.00 0.00 C ATOM 1109 OD1 ASP A 77 0.946 11.559 -11.834 1.00 0.00 O ATOM 1110 OD2 ASP A 77 -0.861 12.567 -11.091 1.00 0.00 O ATOM 0 H ASP A 77 3.170 12.372 -12.003 1.00 0.00 H new ATOM 0 HA ASP A 77 2.748 14.747 -10.293 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.478 14.637 -10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.291 14.244 -12.381 1.00 0.00 H new ATOM 1115 N GLY A 78 3.263 12.100 -9.059 1.00 0.00 N ATOM 1116 CA GLY A 78 3.200 11.229 -7.907 1.00 0.00 C ATOM 1117 C GLY A 78 2.309 10.023 -8.133 1.00 0.00 C ATOM 1118 O GLY A 78 2.734 8.884 -7.937 1.00 0.00 O ATOM 0 H GLY A 78 4.140 12.058 -9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.206 10.891 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.831 11.793 -7.050 1.00 0.00 H new ATOM 1122 N HIS A 79 1.071 10.271 -8.546 1.00 0.00 N ATOM 1123 CA HIS A 79 0.118 9.196 -8.798 1.00 0.00 C ATOM 1124 C HIS A 79 0.633 8.260 -9.887 1.00 0.00 C ATOM 1125 O HIS A 79 0.829 8.671 -11.031 1.00 0.00 O ATOM 1126 CB HIS A 79 -1.239 9.773 -9.204 1.00 0.00 C ATOM 1127 CG HIS A 79 -2.123 10.099 -8.040 1.00 0.00 C ATOM 1128 ND1 HIS A 79 -2.559 9.152 -7.138 1.00 0.00 N ATOM 1129 CD2 HIS A 79 -2.652 11.277 -7.632 1.00 0.00 C ATOM 1130 CE1 HIS A 79 -3.319 9.732 -6.227 1.00 0.00 C ATOM 1131 NE2 HIS A 79 -3.391 11.021 -6.504 1.00 0.00 N ATOM 0 H HIS A 79 0.704 11.208 -8.714 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.000 8.624 -7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.079 10.676 -9.793 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.750 9.058 -9.849 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -2.330 8.158 -7.169 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.518 12.238 -8.106 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.800 9.236 -5.397 1.00 0.00 H new ATOM 1140 N LEU A 80 0.848 6.999 -9.523 1.00 0.00 N ATOM 1141 CA LEU A 80 1.339 6.005 -10.470 1.00 0.00 C ATOM 1142 C LEU A 80 0.335 5.781 -11.596 1.00 0.00 C ATOM 1143 O LEU A 80 -0.766 6.333 -11.578 1.00 0.00 O ATOM 1144 CB LEU A 80 1.620 4.683 -9.752 1.00 0.00 C ATOM 1145 CG LEU A 80 2.585 4.782 -8.569 1.00 0.00 C ATOM 1146 CD1 LEU A 80 1.836 5.165 -7.301 1.00 0.00 C ATOM 1147 CD2 LEU A 80 3.329 3.470 -8.376 1.00 0.00 C ATOM 0 H LEU A 80 0.690 6.643 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 80 2.266 6.381 -10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.675 4.272 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.025 3.974 -10.474 1.00 0.00 H new ATOM 0 HG LEU A 80 3.316 5.561 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.538 5.231 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.350 6.130 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.083 4.409 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.011 3.559 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.613 2.671 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.897 3.238 -9.277 1.00 0.00 H new ATOM 1159 N TRP A 81 0.721 4.967 -12.573 1.00 0.00 N ATOM 1160 CA TRP A 81 -0.145 4.671 -13.707 1.00 0.00 C ATOM 1161 C TRP A 81 -0.024 3.205 -14.116 1.00 0.00 C ATOM 1162 O TRP A 81 0.957 2.539 -13.789 1.00 0.00 O ATOM 1163 CB TRP A 81 0.205 5.572 -14.893 1.00 0.00 C ATOM 1164 CG TRP A 81 1.623 5.423 -15.354 1.00 0.00 C ATOM 1165 CD1 TRP A 81 2.734 5.962 -14.773 1.00 0.00 C ATOM 1166 CD2 TRP A 81 2.082 4.687 -16.493 1.00 0.00 C ATOM 1167 NE1 TRP A 81 3.856 5.606 -15.481 1.00 0.00 N ATOM 1168 CE2 TRP A 81 3.482 4.824 -16.542 1.00 0.00 C ATOM 1169 CE3 TRP A 81 1.445 3.926 -17.478 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 4.254 4.226 -17.536 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 2.212 3.334 -18.463 1.00 0.00 C ATOM 1172 CH2 TRP A 81 3.605 3.487 -18.485 1.00 0.00 C ATOM 0 H TRP A 81 1.628 4.501 -12.602 1.00 0.00 H new ATOM 0 HA TRP A 81 -1.175 4.863 -13.405 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -0.465 5.345 -15.722 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.028 6.611 -14.615 1.00 0.00 H new ATOM 0 HD1 TRP A 81 2.731 6.578 -13.886 1.00 0.00 H new ATOM 0 HE1 TRP A 81 4.812 5.879 -15.254 1.00 0.00 H new ATOM 0 HE3 TRP A 81 0.372 3.803 -17.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.328 4.342 -17.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.730 2.744 -19.228 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.177 3.011 -19.268 1.00 0.00 H new ATOM 1183 N CYS A 82 -1.029 2.710 -14.831 1.00 0.00 N ATOM 1184 CA CYS A 82 -1.035 1.324 -15.284 1.00 0.00 C ATOM 1185 C CYS A 82 -1.754 1.192 -16.621 1.00 0.00 C ATOM 1186 O CYS A 82 -2.782 1.829 -16.851 1.00 0.00 O ATOM 1187 CB CYS A 82 -1.703 0.427 -14.240 1.00 0.00 C ATOM 1188 SG CYS A 82 -3.204 1.144 -13.494 1.00 0.00 S ATOM 0 H CYS A 82 -1.850 3.248 -15.109 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.001 1.007 -15.416 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -1.960 -0.524 -14.705 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.985 0.211 -13.449 1.00 0.00 H new ATOM 1193 N SER A 83 -1.208 0.360 -17.501 1.00 0.00 N ATOM 1194 CA SER A 83 -1.798 0.143 -18.817 1.00 0.00 C ATOM 1195 C SER A 83 -3.192 -0.465 -18.695 1.00 0.00 C ATOM 1196 O SER A 83 -3.404 -1.406 -17.929 1.00 0.00 O ATOM 1197 CB SER A 83 -0.904 -0.770 -19.657 1.00 0.00 C ATOM 1198 OG SER A 83 -1.111 -2.133 -19.327 1.00 0.00 O ATOM 0 H SER A 83 -0.357 -0.175 -17.327 1.00 0.00 H new ATOM 0 HA SER A 83 -1.884 1.110 -19.312 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.112 -0.614 -20.715 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.142 -0.509 -19.495 1.00 0.00 H new ATOM 0 HG SER A 83 -1.554 -2.587 -20.074 1.00 0.00 H new ATOM 1204 N THR A 84 -4.138 0.080 -19.452 1.00 0.00 N ATOM 1205 CA THR A 84 -5.511 -0.409 -19.428 1.00 0.00 C ATOM 1206 C THR A 84 -5.712 -1.535 -20.436 1.00 0.00 C ATOM 1207 O THR A 84 -6.765 -1.638 -21.066 1.00 0.00 O ATOM 1208 CB THR A 84 -6.515 0.718 -19.729 1.00 0.00 C ATOM 1209 OG1 THR A 84 -6.065 1.490 -20.848 1.00 0.00 O ATOM 1210 CG2 THR A 84 -6.689 1.625 -18.519 1.00 0.00 C ATOM 0 H THR A 84 -3.979 0.860 -20.089 1.00 0.00 H new ATOM 0 HA THR A 84 -5.693 -0.788 -18.422 1.00 0.00 H new ATOM 0 HB THR A 84 -7.477 0.263 -19.965 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.735 2.172 -21.066 1.00 0.00 H new ATOM 0 HG21 THR A 84 -7.403 2.414 -18.755 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.059 1.041 -17.677 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.729 2.071 -18.257 1.00 0.00 H new ATOM 1218 N THR A 85 -4.695 -2.378 -20.585 1.00 0.00 N ATOM 1219 CA THR A 85 -4.760 -3.497 -21.516 1.00 0.00 C ATOM 1220 C THR A 85 -3.590 -4.453 -21.311 1.00 0.00 C ATOM 1221 O THR A 85 -2.435 -4.032 -21.250 1.00 0.00 O ATOM 1222 CB THR A 85 -4.760 -3.012 -22.978 1.00 0.00 C ATOM 1223 OG1 THR A 85 -3.824 -1.939 -23.139 1.00 0.00 O ATOM 1224 CG2 THR A 85 -6.147 -2.547 -23.393 1.00 0.00 C ATOM 0 H THR A 85 -3.816 -2.307 -20.072 1.00 0.00 H new ATOM 0 HA THR A 85 -5.694 -4.021 -21.314 1.00 0.00 H new ATOM 0 HB THR A 85 -4.468 -3.847 -23.615 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.994 -2.285 -23.529 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.123 -2.209 -24.429 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.852 -3.373 -23.297 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.463 -1.725 -22.751 1.00 0.00 H new ATOM 1232 N SER A 86 -3.898 -5.742 -21.204 1.00 0.00 N ATOM 1233 CA SER A 86 -2.872 -6.759 -21.005 1.00 0.00 C ATOM 1234 C SER A 86 -1.603 -6.410 -21.778 1.00 0.00 C ATOM 1235 O SER A 86 -0.505 -6.411 -21.220 1.00 0.00 O ATOM 1236 CB SER A 86 -3.390 -8.129 -21.446 1.00 0.00 C ATOM 1237 OG SER A 86 -3.052 -8.394 -22.796 1.00 0.00 O ATOM 0 H SER A 86 -4.849 -6.106 -21.252 1.00 0.00 H new ATOM 0 HA SER A 86 -2.631 -6.794 -19.942 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.970 -8.903 -20.804 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.473 -8.168 -21.325 1.00 0.00 H new ATOM 0 HG SER A 86 -3.393 -9.276 -23.052 1.00 0.00 H new ATOM 1243 N ASN A 87 -1.761 -6.113 -23.062 1.00 0.00 N ATOM 1244 CA ASN A 87 -0.629 -5.762 -23.912 1.00 0.00 C ATOM 1245 C ASN A 87 -0.515 -4.250 -24.070 1.00 0.00 C ATOM 1246 O ASN A 87 -1.111 -3.664 -24.973 1.00 0.00 O ATOM 1247 CB ASN A 87 -0.771 -6.421 -25.285 1.00 0.00 C ATOM 1248 CG ASN A 87 0.159 -7.606 -25.457 1.00 0.00 C ATOM 1249 OD1 ASN A 87 1.280 -7.464 -25.946 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -0.303 -8.784 -25.056 1.00 0.00 N ATOM 0 H ASN A 87 -2.663 -6.108 -23.538 1.00 0.00 H new ATOM 0 HA ASN A 87 0.279 -6.128 -23.433 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.801 -6.748 -25.423 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.564 -5.685 -26.061 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.278 -9.618 -25.148 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.239 -8.856 -24.656 1.00 0.00 H new ATOM 1257 N TYR A 88 0.254 -3.623 -23.185 1.00 0.00 N ATOM 1258 CA TYR A 88 0.447 -2.179 -23.226 1.00 0.00 C ATOM 1259 C TYR A 88 1.023 -1.745 -24.570 1.00 0.00 C ATOM 1260 O TYR A 88 0.568 -0.767 -25.164 1.00 0.00 O ATOM 1261 CB TYR A 88 1.374 -1.733 -22.093 1.00 0.00 C ATOM 1262 CG TYR A 88 1.856 -0.308 -22.229 1.00 0.00 C ATOM 1263 CD1 TYR A 88 1.018 0.760 -21.933 1.00 0.00 C ATOM 1264 CD2 TYR A 88 3.149 -0.029 -22.652 1.00 0.00 C ATOM 1265 CE1 TYR A 88 1.456 2.066 -22.056 1.00 0.00 C ATOM 1266 CE2 TYR A 88 3.595 1.274 -22.777 1.00 0.00 C ATOM 1267 CZ TYR A 88 2.744 2.317 -22.478 1.00 0.00 C ATOM 1268 OH TYR A 88 3.183 3.615 -22.602 1.00 0.00 O ATOM 0 H TYR A 88 0.754 -4.094 -22.430 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.526 -1.705 -23.097 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.850 -1.841 -21.143 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.237 -2.398 -22.059 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.008 0.567 -21.602 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.818 -0.844 -22.887 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.792 2.885 -21.823 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.604 1.474 -23.107 1.00 0.00 H new ATOM 0 HH TYR A 88 4.114 3.618 -22.909 1.00 0.00 H new ATOM 1278 N GLU A 89 2.026 -2.477 -25.043 1.00 0.00 N ATOM 1279 CA GLU A 89 2.664 -2.168 -26.316 1.00 0.00 C ATOM 1280 C GLU A 89 1.669 -2.287 -27.467 1.00 0.00 C ATOM 1281 O GLU A 89 1.834 -1.657 -28.511 1.00 0.00 O ATOM 1282 CB GLU A 89 3.853 -3.101 -26.555 1.00 0.00 C ATOM 1283 CG GLU A 89 5.161 -2.576 -25.988 1.00 0.00 C ATOM 1284 CD GLU A 89 6.345 -2.863 -26.891 1.00 0.00 C ATOM 1285 OE1 GLU A 89 6.345 -2.378 -28.042 1.00 0.00 O ATOM 1286 OE2 GLU A 89 7.272 -3.573 -26.446 1.00 0.00 O ATOM 0 H GLU A 89 2.414 -3.289 -24.563 1.00 0.00 H new ATOM 0 HA GLU A 89 3.022 -1.139 -26.274 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.637 -4.072 -26.110 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.969 -3.261 -27.627 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.080 -1.500 -25.833 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.336 -3.027 -25.011 1.00 0.00 H new ATOM 1293 N GLN A 90 0.638 -3.102 -27.269 1.00 0.00 N ATOM 1294 CA GLN A 90 -0.383 -3.305 -28.289 1.00 0.00 C ATOM 1295 C GLN A 90 -1.402 -2.170 -28.273 1.00 0.00 C ATOM 1296 O GLN A 90 -1.519 -1.413 -29.236 1.00 0.00 O ATOM 1297 CB GLN A 90 -1.091 -4.643 -28.074 1.00 0.00 C ATOM 1298 CG GLN A 90 -2.010 -5.036 -29.218 1.00 0.00 C ATOM 1299 CD GLN A 90 -3.148 -4.055 -29.415 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -3.063 -3.145 -30.238 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -4.224 -4.237 -28.657 1.00 0.00 N ATOM 0 H GLN A 90 0.488 -3.633 -26.411 1.00 0.00 H new ATOM 0 HA GLN A 90 0.109 -3.314 -29.262 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.342 -5.423 -27.937 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.672 -4.593 -27.153 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.430 -5.103 -30.138 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.419 -6.028 -29.026 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.252 -5.005 -27.987 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.022 -3.608 -28.745 1.00 0.00 H new ATOM 1310 N ASP A 91 -2.138 -2.057 -27.171 1.00 0.00 N ATOM 1311 CA ASP A 91 -3.147 -1.015 -27.028 1.00 0.00 C ATOM 1312 C ASP A 91 -2.496 0.343 -26.787 1.00 0.00 C ATOM 1313 O ASP A 91 -2.794 1.318 -27.477 1.00 0.00 O ATOM 1314 CB ASP A 91 -4.098 -1.350 -25.878 1.00 0.00 C ATOM 1315 CG ASP A 91 -5.554 -1.187 -26.266 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -5.878 -1.387 -27.456 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -6.372 -0.862 -25.380 1.00 0.00 O ATOM 0 H ASP A 91 -2.054 -2.675 -26.364 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.716 -0.965 -27.956 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.924 -2.376 -25.553 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.877 -0.705 -25.028 1.00 0.00 H new ATOM 1322 N GLN A 92 -1.606 0.399 -25.801 1.00 0.00 N ATOM 1323 CA GLN A 92 -0.913 1.638 -25.467 1.00 0.00 C ATOM 1324 C GLN A 92 -1.751 2.494 -24.524 1.00 0.00 C ATOM 1325 O GLN A 92 -1.456 3.670 -24.309 1.00 0.00 O ATOM 1326 CB GLN A 92 -0.590 2.426 -26.738 1.00 0.00 C ATOM 1327 CG GLN A 92 0.745 3.149 -26.685 1.00 0.00 C ATOM 1328 CD GLN A 92 1.885 2.310 -27.228 1.00 0.00 C ATOM 1329 OE1 GLN A 92 2.764 2.814 -27.927 1.00 0.00 O ATOM 1330 NE2 GLN A 92 1.875 1.021 -26.908 1.00 0.00 N ATOM 0 H GLN A 92 -1.348 -0.399 -25.220 1.00 0.00 H new ATOM 0 HA GLN A 92 0.018 1.378 -24.962 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.590 1.744 -27.588 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.381 3.155 -26.914 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.676 4.074 -27.257 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.963 3.427 -25.654 1.00 0.00 H new ATOM 0 HE21 GLN A 92 1.126 0.646 -26.326 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.616 0.406 -27.244 1.00 0.00 H new ATOM 1339 N LYS A 93 -2.797 1.897 -23.963 1.00 0.00 N ATOM 1340 CA LYS A 93 -3.678 2.604 -23.042 1.00 0.00 C ATOM 1341 C LYS A 93 -3.193 2.459 -21.603 1.00 0.00 C ATOM 1342 O LYS A 93 -2.390 1.578 -21.296 1.00 0.00 O ATOM 1343 CB LYS A 93 -5.109 2.077 -23.165 1.00 0.00 C ATOM 1344 CG LYS A 93 -5.638 2.078 -24.591 1.00 0.00 C ATOM 1345 CD LYS A 93 -7.137 2.323 -24.629 1.00 0.00 C ATOM 1346 CE LYS A 93 -7.790 1.598 -25.794 1.00 0.00 C ATOM 1347 NZ LYS A 93 -8.801 2.448 -26.481 1.00 0.00 N ATOM 0 H LYS A 93 -3.055 0.925 -24.130 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.663 3.661 -23.306 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.148 1.061 -22.773 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.766 2.684 -22.542 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.128 2.849 -25.169 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.412 1.122 -25.065 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.585 1.988 -23.693 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.330 3.393 -24.710 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.024 1.296 -26.508 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.267 0.687 -25.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.223 1.917 -27.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.546 2.716 -25.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.342 3.306 -26.848 1.00 0.00 H new ATOM 1361 N TYR A 94 -3.684 3.328 -20.727 1.00 0.00 N ATOM 1362 CA TYR A 94 -3.300 3.296 -19.321 1.00 0.00 C ATOM 1363 C TYR A 94 -4.281 4.093 -18.469 1.00 0.00 C ATOM 1364 O TYR A 94 -5.278 4.611 -18.973 1.00 0.00 O ATOM 1365 CB TYR A 94 -1.886 3.852 -19.145 1.00 0.00 C ATOM 1366 CG TYR A 94 -1.755 5.309 -19.527 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -2.418 6.297 -18.810 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -0.969 5.696 -20.605 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -2.302 7.630 -19.156 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -0.848 7.028 -20.957 1.00 0.00 C ATOM 1371 CZ TYR A 94 -1.516 7.990 -20.230 1.00 0.00 C ATOM 1372 OH TYR A 94 -1.397 9.316 -20.578 1.00 0.00 O ATOM 0 H TYR A 94 -4.349 4.064 -20.966 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.320 2.258 -18.989 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.584 3.729 -18.105 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.196 3.263 -19.749 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.034 6.019 -17.968 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.444 4.945 -21.177 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.824 8.386 -18.588 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.233 7.313 -21.798 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.807 9.398 -21.356 1.00 0.00 H new ATOM 1382 N SER A 95 -3.993 4.188 -17.175 1.00 0.00 N ATOM 1383 CA SER A 95 -4.851 4.923 -16.253 1.00 0.00 C ATOM 1384 C SER A 95 -4.129 5.191 -14.936 1.00 0.00 C ATOM 1385 O SER A 95 -3.450 4.316 -14.398 1.00 0.00 O ATOM 1386 CB SER A 95 -6.140 4.142 -15.990 1.00 0.00 C ATOM 1387 OG SER A 95 -6.828 3.870 -17.199 1.00 0.00 O ATOM 0 H SER A 95 -3.172 3.765 -16.741 1.00 0.00 H new ATOM 0 HA SER A 95 -5.101 5.879 -16.712 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.905 3.206 -15.483 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.785 4.713 -15.322 1.00 0.00 H new ATOM 0 HG SER A 95 -6.605 4.555 -17.863 1.00 0.00 H new ATOM 1393 N PHE A 96 -4.279 6.408 -14.422 1.00 0.00 N ATOM 1394 CA PHE A 96 -3.640 6.791 -13.168 1.00 0.00 C ATOM 1395 C PHE A 96 -4.360 6.168 -11.977 1.00 0.00 C ATOM 1396 O PHE A 96 -5.575 5.973 -12.005 1.00 0.00 O ATOM 1397 CB PHE A 96 -3.622 8.315 -13.027 1.00 0.00 C ATOM 1398 CG PHE A 96 -3.529 9.039 -14.339 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -2.566 8.688 -15.272 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -4.405 10.069 -14.641 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -2.479 9.353 -16.480 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -4.322 10.737 -15.847 1.00 0.00 C ATOM 1403 CZ PHE A 96 -3.358 10.378 -16.768 1.00 0.00 C ATOM 0 H PHE A 96 -4.837 7.145 -14.854 1.00 0.00 H new ATOM 0 HA PHE A 96 -2.615 6.421 -13.183 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.526 8.634 -12.509 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.777 8.604 -12.402 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.876 7.886 -15.052 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.162 10.353 -13.925 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -1.724 9.071 -17.199 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.010 11.539 -16.069 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.292 10.898 -17.712 1.00 0.00 H new ATOM 1413 N CYS A 97 -3.601 5.857 -10.931 1.00 0.00 N ATOM 1414 CA CYS A 97 -4.167 5.254 -9.729 1.00 0.00 C ATOM 1415 C CYS A 97 -4.090 6.219 -8.550 1.00 0.00 C ATOM 1416 O CYS A 97 -3.567 7.327 -8.675 1.00 0.00 O ATOM 1417 CB CYS A 97 -3.431 3.956 -9.391 1.00 0.00 C ATOM 1418 SG CYS A 97 -2.965 2.963 -10.845 1.00 0.00 S ATOM 0 H CYS A 97 -2.594 6.012 -10.891 1.00 0.00 H new ATOM 0 HA CYS A 97 -5.216 5.029 -9.923 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -2.531 4.198 -8.827 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -4.063 3.352 -8.740 1.00 0.00 H new ATOM 1423 N THR A 98 -4.613 5.791 -7.407 1.00 0.00 N ATOM 1424 CA THR A 98 -4.603 6.617 -6.204 1.00 0.00 C ATOM 1425 C THR A 98 -3.647 6.055 -5.161 1.00 0.00 C ATOM 1426 O THR A 98 -3.775 4.902 -4.746 1.00 0.00 O ATOM 1427 CB THR A 98 -6.007 6.733 -5.585 1.00 0.00 C ATOM 1428 OG1 THR A 98 -6.115 5.869 -4.447 1.00 0.00 O ATOM 1429 CG2 THR A 98 -7.080 6.375 -6.602 1.00 0.00 C ATOM 0 H THR A 98 -5.049 4.877 -7.287 1.00 0.00 H new ATOM 0 HA THR A 98 -4.267 7.609 -6.507 1.00 0.00 H new ATOM 0 HB THR A 98 -6.156 7.766 -5.272 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.500 5.113 -4.551 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.063 6.465 -6.140 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.015 7.053 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.931 5.350 -6.943 1.00 0.00 H new ATOM 1437 N ASP A 99 -2.690 6.876 -4.742 1.00 0.00 N ATOM 1438 CA ASP A 99 -1.705 6.470 -3.747 1.00 0.00 C ATOM 1439 C ASP A 99 -1.375 4.989 -3.880 1.00 0.00 C ATOM 1440 O ASP A 99 -1.221 4.281 -2.885 1.00 0.00 O ATOM 1441 CB ASP A 99 -2.214 6.770 -2.335 1.00 0.00 C ATOM 1442 CG ASP A 99 -1.927 8.195 -1.908 1.00 0.00 C ATOM 1443 OD1 ASP A 99 -2.185 9.119 -2.708 1.00 0.00 O ATOM 1444 OD2 ASP A 99 -1.444 8.389 -0.773 1.00 0.00 O ATOM 0 H ASP A 99 -2.576 7.832 -5.079 1.00 0.00 H new ATOM 0 HA ASP A 99 -0.794 7.043 -3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.288 6.591 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.748 6.082 -1.630 1.00 0.00 H new ATOM 1449 N HIS A 100 -1.271 4.531 -5.120 1.00 0.00 N ATOM 1450 CA HIS A 100 -0.964 3.140 -5.402 1.00 0.00 C ATOM 1451 C HIS A 100 0.506 2.835 -5.127 1.00 0.00 C ATOM 1452 O HIS A 100 1.221 2.340 -5.997 1.00 0.00 O ATOM 1453 CB HIS A 100 -1.302 2.805 -6.856 1.00 0.00 C ATOM 1454 CG HIS A 100 -1.725 1.383 -7.060 1.00 0.00 C ATOM 1455 ND1 HIS A 100 -2.569 0.986 -8.075 1.00 0.00 N ATOM 1456 CD2 HIS A 100 -1.415 0.259 -6.371 1.00 0.00 C ATOM 1457 CE1 HIS A 100 -2.760 -0.319 -8.002 1.00 0.00 C ATOM 1458 NE2 HIS A 100 -2.071 -0.784 -6.976 1.00 0.00 N ATOM 0 H HIS A 100 -1.396 5.109 -5.951 1.00 0.00 H new ATOM 0 HA HIS A 100 -1.572 2.522 -4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -2.100 3.465 -7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -0.431 3.009 -7.479 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.771 0.195 -5.506 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -3.375 -0.906 -8.668 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -2.032 -1.760 -6.681 1.00 0.00 H new ATOM 1467 N THR A 101 0.950 3.136 -3.911 1.00 0.00 N ATOM 1468 CA THR A 101 2.335 2.895 -3.522 1.00 0.00 C ATOM 1469 C THR A 101 2.594 1.409 -3.302 1.00 0.00 C ATOM 1470 O THR A 101 3.043 1.000 -2.231 1.00 0.00 O ATOM 1471 CB THR A 101 2.699 3.663 -2.238 1.00 0.00 C ATOM 1472 OG1 THR A 101 4.115 3.620 -2.025 1.00 0.00 O ATOM 1473 CG2 THR A 101 1.983 3.071 -1.033 1.00 0.00 C ATOM 0 H THR A 101 0.371 3.547 -3.178 1.00 0.00 H new ATOM 0 HA THR A 101 2.960 3.253 -4.340 1.00 0.00 H new ATOM 0 HB THR A 101 2.381 4.699 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.394 2.694 -1.867 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.255 3.629 -0.137 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.905 3.131 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.275 2.028 -0.913 1.00 0.00 H new ATOM 1481 N VAL A 102 2.309 0.607 -4.324 1.00 0.00 N ATOM 1482 CA VAL A 102 2.510 -0.837 -4.251 1.00 0.00 C ATOM 1483 C VAL A 102 2.255 -1.361 -2.841 1.00 0.00 C ATOM 1484 O VAL A 102 3.136 -1.320 -1.984 1.00 0.00 O ATOM 1485 CB VAL A 102 3.936 -1.230 -4.683 1.00 0.00 C ATOM 1486 CG1 VAL A 102 4.966 -0.671 -3.713 1.00 0.00 C ATOM 1487 CG2 VAL A 102 4.062 -2.742 -4.793 1.00 0.00 C ATOM 0 H VAL A 102 1.937 0.934 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 102 1.793 -1.288 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 102 4.128 -0.799 -5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.966 -0.960 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.892 0.416 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.779 -1.068 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.075 -3.001 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.848 -3.196 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.353 -3.113 -5.533 1.00 0.00 H new ATOM 1497 N LEU A 103 1.042 -1.853 -2.610 1.00 0.00 N ATOM 1498 CA LEU A 103 0.670 -2.386 -1.304 1.00 0.00 C ATOM 1499 C LEU A 103 0.318 -3.867 -1.402 1.00 0.00 C ATOM 1500 O LEU A 103 -0.682 -4.239 -2.014 1.00 0.00 O ATOM 1501 CB LEU A 103 -0.513 -1.606 -0.730 1.00 0.00 C ATOM 1502 CG LEU A 103 -0.371 -0.083 -0.782 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -0.635 0.430 -2.189 1.00 0.00 C ATOM 1504 CD2 LEU A 103 -1.313 0.574 0.214 1.00 0.00 C ATOM 0 H LEU A 103 0.301 -1.894 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 103 1.526 -2.277 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.414 -1.890 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.658 -1.907 0.308 1.00 0.00 H new ATOM 0 HG LEU A 103 0.652 0.177 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.530 1.515 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.082 -0.015 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.647 0.159 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.199 1.657 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.342 0.306 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.075 0.231 1.221 1.00 0.00 H new ATOM 1516 N VAL A 104 1.148 -4.708 -0.794 1.00 0.00 N ATOM 1517 CA VAL A 104 0.925 -6.149 -0.811 1.00 0.00 C ATOM 1518 C VAL A 104 0.452 -6.645 0.551 1.00 0.00 C ATOM 1519 O VAL A 104 0.996 -6.257 1.582 1.00 0.00 O ATOM 1520 CB VAL A 104 2.209 -6.906 -1.214 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.126 -8.376 -0.824 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.464 -6.761 -2.704 1.00 0.00 C ATOM 0 H VAL A 104 1.981 -4.416 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 104 0.150 -6.347 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 104 3.046 -6.464 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.044 -8.883 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.997 -8.459 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.277 -8.839 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.373 -7.300 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.621 -7.172 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.582 -5.706 -2.952 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.559 -7.507 0.544 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.102 -8.059 1.779 1.00 0.00 C ATOM 1534 C GLN A 105 -0.609 -9.486 1.996 1.00 0.00 C ATOM 1535 O GLN A 105 -1.296 -10.449 1.655 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.631 -8.034 1.745 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.250 -7.148 2.813 1.00 0.00 C ATOM 1538 CD GLN A 105 -3.420 -7.863 4.139 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -3.529 -9.088 4.186 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -3.446 -7.099 5.225 1.00 0.00 N ATOM 0 H GLN A 105 -1.019 -7.838 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.755 -7.443 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.958 -7.689 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.005 -9.050 1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.624 -6.268 2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.222 -6.795 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.352 -6.087 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.560 -7.524 6.145 1.00 0.00 H new ATOM 1549 N THR A 106 0.585 -9.613 2.566 1.00 0.00 N ATOM 1550 CA THR A 106 1.173 -10.922 2.826 1.00 0.00 C ATOM 1551 C THR A 106 0.644 -11.514 4.127 1.00 0.00 C ATOM 1552 O THR A 106 -0.002 -10.826 4.917 1.00 0.00 O ATOM 1553 CB THR A 106 2.708 -10.845 2.902 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.110 -9.595 3.475 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.326 -10.996 1.520 1.00 0.00 C ATOM 0 H THR A 106 1.164 -8.825 2.857 1.00 0.00 H new ATOM 0 HA THR A 106 0.889 -11.565 1.993 1.00 0.00 H new ATOM 0 HB THR A 106 3.059 -11.662 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.501 -9.359 4.205 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.412 -10.938 1.599 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.043 -11.961 1.099 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.966 -10.197 0.871 1.00 0.00 H new ATOM 1563 N ARG A 107 0.927 -12.794 4.345 1.00 0.00 N ATOM 1564 CA ARG A 107 0.483 -13.481 5.552 1.00 0.00 C ATOM 1565 C ARG A 107 1.230 -14.798 5.734 1.00 0.00 C ATOM 1566 O ARG A 107 1.403 -15.561 4.784 1.00 0.00 O ATOM 1567 CB ARG A 107 -1.024 -13.739 5.492 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.401 -14.946 4.648 1.00 0.00 C ATOM 1569 CD ARG A 107 -2.829 -15.391 4.919 1.00 0.00 C ATOM 1570 NE ARG A 107 -3.679 -14.279 5.337 1.00 0.00 N ATOM 1571 CZ ARG A 107 -4.301 -13.469 4.488 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -4.169 -13.646 3.180 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -5.058 -12.480 4.945 1.00 0.00 N ATOM 0 H ARG A 107 1.462 -13.377 3.701 1.00 0.00 H new ATOM 0 HA ARG A 107 0.701 -12.840 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.400 -13.882 6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.520 -12.856 5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.289 -14.702 3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.716 -15.767 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.244 -15.846 4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.829 -16.158 5.693 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.802 -14.116 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.589 -14.406 2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.648 -13.022 2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.163 -12.341 5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -5.535 -11.859 4.291 1.00 0.00 H new ATOM 1587 N GLY A 108 1.670 -15.059 6.961 1.00 0.00 N ATOM 1588 CA GLY A 108 2.391 -16.285 7.245 1.00 0.00 C ATOM 1589 C GLY A 108 3.882 -16.059 7.403 1.00 0.00 C ATOM 1590 O GLY A 108 4.436 -15.112 6.845 1.00 0.00 O ATOM 0 H GLY A 108 1.540 -14.443 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.996 -16.732 8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.218 -16.999 6.440 1.00 0.00 H new ATOM 1594 N GLY A 109 4.532 -16.931 8.167 1.00 0.00 N ATOM 1595 CA GLY A 109 5.961 -16.805 8.385 1.00 0.00 C ATOM 1596 C GLY A 109 6.291 -16.174 9.722 1.00 0.00 C ATOM 1597 O GLY A 109 6.392 -16.867 10.735 1.00 0.00 O ATOM 0 H GLY A 109 4.095 -17.722 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.422 -17.791 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.395 -16.204 7.586 1.00 0.00 H new ATOM 1601 N ASN A 110 6.461 -14.857 9.726 1.00 0.00 N ATOM 1602 CA ASN A 110 6.783 -14.130 10.950 1.00 0.00 C ATOM 1603 C ASN A 110 6.225 -12.712 10.902 1.00 0.00 C ATOM 1604 O ASN A 110 6.645 -11.842 11.664 1.00 0.00 O ATOM 1605 CB ASN A 110 8.297 -14.089 11.160 1.00 0.00 C ATOM 1606 CG ASN A 110 9.003 -13.249 10.115 1.00 0.00 C ATOM 1607 OD1 ASN A 110 9.583 -12.208 10.426 1.00 0.00 O ATOM 1608 ND2 ASN A 110 8.958 -13.697 8.866 1.00 0.00 N ATOM 0 H ASN A 110 6.381 -14.270 8.896 1.00 0.00 H new ATOM 0 HA ASN A 110 6.322 -14.654 11.787 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.513 -13.689 12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.692 -15.104 11.134 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.415 -13.173 8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.466 -14.565 8.653 1.00 0.00 H new ATOM 1615 N SER A 111 5.276 -12.486 9.999 1.00 0.00 N ATOM 1616 CA SER A 111 4.660 -11.174 9.849 1.00 0.00 C ATOM 1617 C SER A 111 3.172 -11.232 10.181 1.00 0.00 C ATOM 1618 O SER A 111 2.523 -10.200 10.353 1.00 0.00 O ATOM 1619 CB SER A 111 4.854 -10.657 8.422 1.00 0.00 C ATOM 1620 OG SER A 111 3.753 -11.001 7.599 1.00 0.00 O ATOM 0 H SER A 111 4.917 -13.196 9.360 1.00 0.00 H new ATOM 0 HA SER A 111 5.145 -10.490 10.546 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.975 -9.574 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.770 -11.074 8.002 1.00 0.00 H new ATOM 0 HG SER A 111 4.021 -10.953 6.658 1.00 0.00 H new ATOM 1626 N ASN A 112 2.639 -12.447 10.270 1.00 0.00 N ATOM 1627 CA ASN A 112 1.227 -12.639 10.580 1.00 0.00 C ATOM 1628 C ASN A 112 0.364 -11.634 9.827 1.00 0.00 C ATOM 1629 O ASN A 112 0.021 -10.576 10.356 1.00 0.00 O ATOM 1630 CB ASN A 112 0.991 -12.508 12.086 1.00 0.00 C ATOM 1631 CG ASN A 112 1.652 -13.621 12.875 1.00 0.00 C ATOM 1632 OD1 ASN A 112 1.507 -14.799 12.549 1.00 0.00 O ATOM 1633 ND2 ASN A 112 2.384 -13.251 13.920 1.00 0.00 N ATOM 0 H ASN A 112 3.163 -13.311 10.132 1.00 0.00 H new ATOM 0 HA ASN A 112 0.944 -13.642 10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.374 -11.547 12.429 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.081 -12.513 12.285 1.00 0.00 H new ATOM 0 HD21 ASN A 112 2.854 -13.956 14.489 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.477 -12.262 14.153 1.00 0.00 H new ATOM 1640 N GLY A 113 0.019 -11.969 8.589 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.797 -11.084 7.781 1.00 0.00 C ATOM 1642 C GLY A 113 -0.293 -9.654 7.802 1.00 0.00 C ATOM 1643 O GLY A 113 -0.912 -8.780 8.409 1.00 0.00 O ATOM 0 H GLY A 113 0.290 -12.839 8.131 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.812 -11.446 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.825 -11.110 8.143 1.00 0.00 H new ATOM 1647 N ALA A 114 0.836 -9.415 7.142 1.00 0.00 N ATOM 1648 CA ALA A 114 1.422 -8.082 7.093 1.00 0.00 C ATOM 1649 C ALA A 114 1.432 -7.535 5.672 1.00 0.00 C ATOM 1650 O ALA A 114 1.635 -8.276 4.711 1.00 0.00 O ATOM 1651 CB ALA A 114 2.833 -8.103 7.661 1.00 0.00 C ATOM 0 H ALA A 114 1.362 -10.127 6.635 1.00 0.00 H new ATOM 0 HA ALA A 114 0.805 -7.422 7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.258 -7.100 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.803 -8.440 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.451 -8.784 7.076 1.00 0.00 H new ATOM 1657 N LEU A 115 1.212 -6.231 5.547 1.00 0.00 N ATOM 1658 CA LEU A 115 1.197 -5.582 4.242 1.00 0.00 C ATOM 1659 C LEU A 115 2.594 -5.575 3.630 1.00 0.00 C ATOM 1660 O LEU A 115 3.334 -4.600 3.758 1.00 0.00 O ATOM 1661 CB LEU A 115 0.674 -4.150 4.365 1.00 0.00 C ATOM 1662 CG LEU A 115 0.891 -3.274 3.130 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.010 -3.727 1.991 1.00 0.00 C ATOM 1664 CD2 LEU A 115 0.640 -1.812 3.463 1.00 0.00 C ATOM 0 H LEU A 115 1.042 -5.603 6.333 1.00 0.00 H new ATOM 0 HA LEU A 115 0.532 -6.146 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.393 -4.187 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.157 -3.675 5.218 1.00 0.00 H new ATOM 0 HG LEU A 115 1.928 -3.379 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.157 -3.093 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.219 -4.762 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.053 -3.651 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.799 -1.204 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.386 -1.689 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.327 -1.494 4.247 1.00 0.00 H new ATOM 1676 N CYS A 116 2.951 -6.670 2.965 1.00 0.00 N ATOM 1677 CA CYS A 116 4.262 -6.787 2.338 1.00 0.00 C ATOM 1678 C CYS A 116 4.636 -5.495 1.624 1.00 0.00 C ATOM 1679 O CYS A 116 3.810 -4.885 0.942 1.00 0.00 O ATOM 1680 CB CYS A 116 4.280 -7.956 1.351 1.00 0.00 C ATOM 1681 SG CYS A 116 5.868 -8.849 1.281 1.00 0.00 S ATOM 0 H CYS A 116 2.352 -7.487 2.847 1.00 0.00 H new ATOM 0 HA CYS A 116 4.997 -6.975 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.492 -8.659 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.043 -7.580 0.356 1.00 0.00 H new ATOM 1686 N HIS A 117 5.887 -5.081 1.789 1.00 0.00 N ATOM 1687 CA HIS A 117 6.378 -3.858 1.166 1.00 0.00 C ATOM 1688 C HIS A 117 7.194 -4.176 -0.083 1.00 0.00 C ATOM 1689 O HIS A 117 8.042 -5.068 -0.075 1.00 0.00 O ATOM 1690 CB HIS A 117 7.224 -3.060 2.164 1.00 0.00 C ATOM 1691 CG HIS A 117 8.203 -2.126 1.521 1.00 0.00 C ATOM 1692 ND1 HIS A 117 8.111 -0.754 1.615 1.00 0.00 N ATOM 1693 CD2 HIS A 117 9.300 -2.376 0.769 1.00 0.00 C ATOM 1694 CE1 HIS A 117 9.110 -0.201 0.949 1.00 0.00 C ATOM 1695 NE2 HIS A 117 9.845 -1.164 0.426 1.00 0.00 N ATOM 0 H HIS A 117 6.581 -5.575 2.350 1.00 0.00 H new ATOM 0 HA HIS A 117 5.520 -3.255 0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.560 -2.486 2.810 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.767 -3.756 2.803 1.00 0.00 H new ATOM 0 HD1 HIS A 117 7.385 -0.245 2.120 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.677 -3.349 0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.293 0.859 0.850 1.00 0.00 H new ATOM 1704 N PHE A 118 6.931 -3.437 -1.156 1.00 0.00 N ATOM 1705 CA PHE A 118 7.637 -3.636 -2.415 1.00 0.00 C ATOM 1706 C PHE A 118 8.156 -2.309 -2.960 1.00 0.00 C ATOM 1707 O PHE A 118 7.452 -1.300 -2.938 1.00 0.00 O ATOM 1708 CB PHE A 118 6.713 -4.289 -3.444 1.00 0.00 C ATOM 1709 CG PHE A 118 6.546 -5.772 -3.260 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.479 -6.656 -3.778 1.00 0.00 C ATOM 1711 CD2 PHE A 118 5.453 -6.280 -2.578 1.00 0.00 C ATOM 1712 CE1 PHE A 118 7.322 -8.019 -3.619 1.00 0.00 C ATOM 1713 CE2 PHE A 118 5.293 -7.644 -2.415 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.229 -8.514 -2.938 1.00 0.00 C ATOM 0 H PHE A 118 6.233 -2.694 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 118 8.486 -4.293 -2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.733 -3.814 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.106 -4.099 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.338 -6.275 -4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.717 -5.603 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.056 -8.698 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.437 -8.028 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.106 -9.580 -2.814 1.00 0.00 H new ATOM 1724 N PRO A 119 9.401 -2.295 -3.457 1.00 0.00 N ATOM 1725 CA PRO A 119 10.264 -3.475 -3.498 1.00 0.00 C ATOM 1726 C PRO A 119 10.867 -3.792 -2.133 1.00 0.00 C ATOM 1727 O PRO A 119 10.829 -2.968 -1.219 1.00 0.00 O ATOM 1728 CB PRO A 119 11.381 -3.094 -4.493 1.00 0.00 C ATOM 1729 CG PRO A 119 10.967 -1.763 -5.047 1.00 0.00 C ATOM 1730 CD PRO A 119 10.074 -1.131 -4.023 1.00 0.00 C ATOM 0 HA PRO A 119 9.707 -4.365 -3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.349 -3.031 -3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.477 -3.838 -5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.838 -1.137 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.444 -1.884 -5.995 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.639 -0.580 -3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.370 -0.429 -4.471 1.00 0.00 H new ATOM 1738 N PHE A 120 11.431 -4.988 -2.005 1.00 0.00 N ATOM 1739 CA PHE A 120 12.051 -5.413 -0.755 1.00 0.00 C ATOM 1740 C PHE A 120 13.419 -6.031 -1.020 1.00 0.00 C ATOM 1741 O PHE A 120 13.551 -6.935 -1.845 1.00 0.00 O ATOM 1742 CB PHE A 120 11.153 -6.416 -0.027 1.00 0.00 C ATOM 1743 CG PHE A 120 11.105 -7.767 -0.682 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.295 -7.987 -1.785 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.866 -8.816 -0.194 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.247 -9.228 -2.390 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.822 -10.060 -0.795 1.00 0.00 C ATOM 1748 CZ PHE A 120 11.012 -10.266 -1.894 1.00 0.00 C ATOM 0 H PHE A 120 11.472 -5.681 -2.752 1.00 0.00 H new ATOM 0 HA PHE A 120 12.181 -4.535 -0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.507 -6.531 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.142 -6.012 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.694 -7.179 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.501 -8.660 0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.612 -9.387 -3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.421 -10.870 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.976 -11.237 -2.365 1.00 0.00 H new ATOM 1758 N LEU A 121 14.437 -5.536 -0.323 1.00 0.00 N ATOM 1759 CA LEU A 121 15.792 -6.041 -0.497 1.00 0.00 C ATOM 1760 C LEU A 121 15.938 -7.445 0.080 1.00 0.00 C ATOM 1761 O LEU A 121 15.715 -7.670 1.270 1.00 0.00 O ATOM 1762 CB LEU A 121 16.812 -5.102 0.154 1.00 0.00 C ATOM 1763 CG LEU A 121 18.132 -5.765 0.560 1.00 0.00 C ATOM 1764 CD1 LEU A 121 17.959 -6.556 1.847 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.637 -6.662 -0.555 1.00 0.00 C ATOM 0 H LEU A 121 14.349 -4.788 0.365 1.00 0.00 H new ATOM 0 HA LEU A 121 15.988 -6.086 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 121 17.029 -4.289 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.359 -4.655 1.039 1.00 0.00 H new ATOM 0 HG LEU A 121 18.872 -4.984 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 121 18.907 -7.020 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.640 -5.886 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.206 -7.330 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.576 -7.126 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.899 -7.437 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.800 -6.068 -1.454 1.00 0.00 H new ATOM 1777 N TYR A 122 16.329 -8.380 -0.777 1.00 0.00 N ATOM 1778 CA TYR A 122 16.530 -9.765 -0.371 1.00 0.00 C ATOM 1779 C TYR A 122 17.997 -10.147 -0.526 1.00 0.00 C ATOM 1780 O TYR A 122 18.612 -9.865 -1.555 1.00 0.00 O ATOM 1781 CB TYR A 122 15.654 -10.702 -1.206 1.00 0.00 C ATOM 1782 CG TYR A 122 16.000 -12.164 -1.036 1.00 0.00 C ATOM 1783 CD1 TYR A 122 17.214 -12.667 -1.487 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.115 -13.039 -0.420 1.00 0.00 C ATOM 1785 CE1 TYR A 122 17.535 -14.003 -1.330 1.00 0.00 C ATOM 1786 CE2 TYR A 122 15.429 -14.375 -0.258 1.00 0.00 C ATOM 1787 CZ TYR A 122 16.640 -14.852 -0.715 1.00 0.00 C ATOM 1788 OH TYR A 122 16.955 -16.182 -0.556 1.00 0.00 O ATOM 0 H TYR A 122 16.514 -8.202 -1.764 1.00 0.00 H new ATOM 0 HA TYR A 122 16.244 -9.864 0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.610 -10.550 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.750 -10.434 -2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 122 17.918 -12.004 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.166 -12.669 -0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 122 18.482 -14.379 -1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 122 14.730 -15.042 0.224 1.00 0.00 H new ATOM 0 HH TYR A 122 16.802 -16.445 0.375 1.00 0.00 H new ATOM 1798 N ASN A 123 18.561 -10.777 0.497 1.00 0.00 N ATOM 1799 CA ASN A 123 19.962 -11.175 0.457 1.00 0.00 C ATOM 1800 C ASN A 123 20.805 -10.055 -0.142 1.00 0.00 C ATOM 1801 O ASN A 123 21.540 -10.263 -1.107 1.00 0.00 O ATOM 1802 CB ASN A 123 20.131 -12.456 -0.363 1.00 0.00 C ATOM 1803 CG ASN A 123 21.587 -12.805 -0.597 1.00 0.00 C ATOM 1804 OD1 ASN A 123 22.294 -13.219 0.322 1.00 0.00 O ATOM 1805 ND2 ASN A 123 22.045 -12.638 -1.833 1.00 0.00 N ATOM 0 H ASN A 123 18.074 -11.022 1.359 1.00 0.00 H new ATOM 0 HA ASN A 123 20.299 -11.368 1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 123 19.641 -13.282 0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 123 19.630 -12.338 -1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 123 23.018 -12.855 -2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 123 21.424 -12.292 -2.565 1.00 0.00 H new ATOM 1812 N ASN A 124 20.675 -8.862 0.432 1.00 0.00 N ATOM 1813 CA ASN A 124 21.405 -7.689 -0.040 1.00 0.00 C ATOM 1814 C ASN A 124 21.269 -7.532 -1.552 1.00 0.00 C ATOM 1815 O ASN A 124 22.084 -6.869 -2.194 1.00 0.00 O ATOM 1816 CB ASN A 124 22.881 -7.775 0.354 1.00 0.00 C ATOM 1817 CG ASN A 124 23.581 -8.973 -0.258 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.578 -9.153 -1.475 1.00 0.00 O ATOM 1819 ND2 ASN A 124 24.184 -9.802 0.588 1.00 0.00 N ATOM 0 H ASN A 124 20.066 -8.682 1.230 1.00 0.00 H new ATOM 0 HA ASN A 124 20.969 -6.811 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.390 -6.863 0.042 1.00 0.00 H new ATOM 0 HB3 ASN A 124 22.961 -7.828 1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 124 24.670 -10.627 0.235 1.00 0.00 H new ATOM 0 HD22 ASN A 124 24.161 -9.614 1.590 1.00 0.00 H new ATOM 1826 N HIS A 125 20.221 -8.130 -2.109 1.00 0.00 N ATOM 1827 CA HIS A 125 19.954 -8.046 -3.537 1.00 0.00 C ATOM 1828 C HIS A 125 18.578 -7.435 -3.777 1.00 0.00 C ATOM 1829 O HIS A 125 17.566 -8.136 -3.755 1.00 0.00 O ATOM 1830 CB HIS A 125 20.034 -9.433 -4.178 1.00 0.00 C ATOM 1831 CG HIS A 125 19.973 -9.406 -5.673 1.00 0.00 C ATOM 1832 ND1 HIS A 125 20.614 -10.331 -6.469 1.00 0.00 N ATOM 1833 CD2 HIS A 125 19.339 -8.559 -6.519 1.00 0.00 C ATOM 1834 CE1 HIS A 125 20.379 -10.053 -7.740 1.00 0.00 C ATOM 1835 NE2 HIS A 125 19.607 -8.984 -7.797 1.00 0.00 N ATOM 0 H HIS A 125 19.540 -8.681 -1.587 1.00 0.00 H new ATOM 0 HA HIS A 125 20.709 -7.408 -3.996 1.00 0.00 H new ATOM 0 HB2 HIS A 125 20.962 -9.914 -3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 125 19.216 -10.046 -3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 125 18.735 -7.708 -6.240 1.00 0.00 H new ATOM 0 HE1 HIS A 125 20.755 -10.607 -8.588 1.00 0.00 H new ATOM 0 HE2 HIS A 125 19.265 -8.545 -8.652 1.00 0.00 H new ATOM 1844 N ASN A 126 18.546 -6.125 -3.992 1.00 0.00 N ATOM 1845 CA ASN A 126 17.292 -5.416 -4.224 1.00 0.00 C ATOM 1846 C ASN A 126 16.311 -6.277 -5.015 1.00 0.00 C ATOM 1847 O ASN A 126 16.572 -6.641 -6.161 1.00 0.00 O ATOM 1848 CB ASN A 126 17.554 -4.106 -4.970 1.00 0.00 C ATOM 1849 CG ASN A 126 17.340 -2.889 -4.094 1.00 0.00 C ATOM 1850 OD1 ASN A 126 16.299 -2.235 -4.167 1.00 0.00 O ATOM 1851 ND2 ASN A 126 18.329 -2.581 -3.260 1.00 0.00 N ATOM 0 H ASN A 126 19.375 -5.531 -4.011 1.00 0.00 H new ATOM 0 HA ASN A 126 16.848 -5.194 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.577 -4.104 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.895 -4.047 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.173 -3.154 -3.236 1.00 0.00 H new ATOM 1857 N TYR A 127 15.177 -6.595 -4.396 1.00 0.00 N ATOM 1858 CA TYR A 127 14.151 -7.409 -5.042 1.00 0.00 C ATOM 1859 C TYR A 127 12.853 -6.623 -5.192 1.00 0.00 C ATOM 1860 O TYR A 127 12.727 -5.511 -4.679 1.00 0.00 O ATOM 1861 CB TYR A 127 13.896 -8.685 -4.236 1.00 0.00 C ATOM 1862 CG TYR A 127 14.803 -9.835 -4.610 1.00 0.00 C ATOM 1863 CD1 TYR A 127 16.039 -9.605 -5.201 1.00 0.00 C ATOM 1864 CD2 TYR A 127 14.426 -11.149 -4.367 1.00 0.00 C ATOM 1865 CE1 TYR A 127 16.873 -10.653 -5.540 1.00 0.00 C ATOM 1866 CE2 TYR A 127 15.255 -12.202 -4.704 1.00 0.00 C ATOM 1867 CZ TYR A 127 16.477 -11.950 -5.290 1.00 0.00 C ATOM 1868 OH TYR A 127 17.305 -12.996 -5.626 1.00 0.00 O ATOM 0 H TYR A 127 14.945 -6.301 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 127 14.510 -7.682 -6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 127 14.022 -8.465 -3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.859 -8.991 -4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 127 16.353 -8.591 -5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 127 13.470 -11.351 -3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 127 17.831 -10.457 -5.999 1.00 0.00 H new ATOM 0 HE2 TYR A 127 14.947 -13.219 -4.509 1.00 0.00 H new ATOM 0 HH TYR A 127 17.238 -13.698 -4.946 1.00 0.00 H new ATOM 1878 N THR A 128 11.889 -7.207 -5.896 1.00 0.00 N ATOM 1879 CA THR A 128 10.600 -6.558 -6.109 1.00 0.00 C ATOM 1880 C THR A 128 9.563 -7.545 -6.630 1.00 0.00 C ATOM 1881 O THR A 128 9.038 -7.387 -7.732 1.00 0.00 O ATOM 1882 CB THR A 128 10.718 -5.384 -7.098 1.00 0.00 C ATOM 1883 OG1 THR A 128 12.034 -4.822 -7.037 1.00 0.00 O ATOM 1884 CG2 THR A 128 9.688 -4.310 -6.787 1.00 0.00 C ATOM 0 H THR A 128 11.975 -8.127 -6.328 1.00 0.00 H new ATOM 0 HA THR A 128 10.277 -6.176 -5.140 1.00 0.00 H new ATOM 0 HB THR A 128 10.532 -5.764 -8.103 1.00 0.00 H new ATOM 0 HG1 THR A 128 12.101 -4.077 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.790 -3.491 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.686 -4.733 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.848 -3.935 -5.776 1.00 0.00 H new ATOM 1892 N ASP A 129 9.268 -8.559 -5.826 1.00 0.00 N ATOM 1893 CA ASP A 129 8.287 -9.573 -6.199 1.00 0.00 C ATOM 1894 C ASP A 129 8.354 -10.766 -5.257 1.00 0.00 C ATOM 1895 O ASP A 129 9.436 -11.209 -4.874 1.00 0.00 O ATOM 1896 CB ASP A 129 8.513 -10.028 -7.641 1.00 0.00 C ATOM 1897 CG ASP A 129 9.984 -10.123 -7.996 1.00 0.00 C ATOM 1898 OD1 ASP A 129 10.674 -10.998 -7.434 1.00 0.00 O ATOM 1899 OD2 ASP A 129 10.444 -9.322 -8.836 1.00 0.00 O ATOM 0 H ASP A 129 9.694 -8.702 -4.910 1.00 0.00 H new ATOM 0 HA ASP A 129 7.295 -9.129 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.043 -11.000 -7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.023 -9.330 -8.320 1.00 0.00 H new ATOM 1904 N CYS A 130 7.187 -11.280 -4.885 1.00 0.00 N ATOM 1905 CA CYS A 130 7.106 -12.422 -3.985 1.00 0.00 C ATOM 1906 C CYS A 130 8.045 -13.537 -4.434 1.00 0.00 C ATOM 1907 O CYS A 130 7.645 -14.440 -5.169 1.00 0.00 O ATOM 1908 CB CYS A 130 5.670 -12.945 -3.915 1.00 0.00 C ATOM 1909 SG CYS A 130 4.440 -11.678 -3.468 1.00 0.00 S ATOM 0 H CYS A 130 6.283 -10.922 -5.194 1.00 0.00 H new ATOM 0 HA CYS A 130 7.412 -12.091 -2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.402 -13.371 -4.882 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.624 -13.754 -3.186 1.00 0.00 H new ATOM 1914 N THR A 131 9.293 -13.465 -3.987 1.00 0.00 N ATOM 1915 CA THR A 131 10.290 -14.467 -4.343 1.00 0.00 C ATOM 1916 C THR A 131 10.060 -15.765 -3.578 1.00 0.00 C ATOM 1917 O THR A 131 9.579 -15.754 -2.445 1.00 0.00 O ATOM 1918 CB THR A 131 11.718 -13.965 -4.058 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.675 -14.818 -4.697 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.989 -13.923 -2.562 1.00 0.00 C ATOM 0 H THR A 131 9.639 -12.724 -3.378 1.00 0.00 H new ATOM 0 HA THR A 131 10.184 -14.653 -5.412 1.00 0.00 H new ATOM 0 HB THR A 131 11.809 -12.955 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.551 -14.702 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 131 13.004 -13.565 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.279 -13.250 -2.082 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.879 -14.924 -2.144 1.00 0.00 H new ATOM 1928 N SER A 132 10.404 -16.886 -4.206 1.00 0.00 N ATOM 1929 CA SER A 132 10.234 -18.194 -3.585 1.00 0.00 C ATOM 1930 C SER A 132 11.518 -18.643 -2.895 1.00 0.00 C ATOM 1931 O SER A 132 11.645 -19.797 -2.488 1.00 0.00 O ATOM 1932 CB SER A 132 9.816 -19.228 -4.633 1.00 0.00 C ATOM 1933 OG SER A 132 8.843 -20.117 -4.112 1.00 0.00 O ATOM 0 H SER A 132 10.802 -16.914 -5.145 1.00 0.00 H new ATOM 0 HA SER A 132 9.450 -18.111 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 132 9.416 -18.720 -5.511 1.00 0.00 H new ATOM 0 HB3 SER A 132 10.689 -19.791 -4.961 1.00 0.00 H new ATOM 0 HG SER A 132 8.591 -20.767 -4.801 1.00 0.00 H new ATOM 1939 N GLU A 133 12.468 -17.721 -2.766 1.00 0.00 N ATOM 1940 CA GLU A 133 13.742 -18.024 -2.125 1.00 0.00 C ATOM 1941 C GLU A 133 13.526 -18.541 -0.706 1.00 0.00 C ATOM 1942 O GLU A 133 12.435 -18.421 -0.150 1.00 0.00 O ATOM 1943 CB GLU A 133 14.632 -16.780 -2.098 1.00 0.00 C ATOM 1944 CG GLU A 133 15.916 -16.934 -2.897 1.00 0.00 C ATOM 1945 CD GLU A 133 16.442 -15.611 -3.415 1.00 0.00 C ATOM 1946 OE1 GLU A 133 15.803 -14.572 -3.146 1.00 0.00 O ATOM 1947 OE2 GLU A 133 17.492 -15.613 -4.091 1.00 0.00 O ATOM 0 H GLU A 133 12.379 -16.760 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 133 14.237 -18.803 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.070 -15.932 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 133 14.883 -16.545 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 133 16.675 -17.403 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 133 15.738 -17.604 -3.738 1.00 0.00 H new ATOM 1954 N GLY A 134 14.574 -19.118 -0.125 1.00 0.00 N ATOM 1955 CA GLY A 134 14.477 -19.645 1.223 1.00 0.00 C ATOM 1956 C GLY A 134 13.221 -20.466 1.435 1.00 0.00 C ATOM 1957 O GLY A 134 12.755 -20.621 2.564 1.00 0.00 O ATOM 0 H GLY A 134 15.488 -19.230 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.351 -20.262 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.492 -18.819 1.935 1.00 0.00 H new ATOM 1961 N ARG A 135 12.670 -20.994 0.347 1.00 0.00 N ATOM 1962 CA ARG A 135 11.460 -21.804 0.417 1.00 0.00 C ATOM 1963 C ARG A 135 11.762 -23.260 0.078 1.00 0.00 C ATOM 1964 O ARG A 135 11.799 -24.120 0.958 1.00 0.00 O ATOM 1965 CB ARG A 135 10.395 -21.252 -0.532 1.00 0.00 C ATOM 1966 CG ARG A 135 9.023 -21.875 -0.337 1.00 0.00 C ATOM 1967 CD ARG A 135 8.586 -21.814 1.118 1.00 0.00 C ATOM 1968 NE ARG A 135 8.659 -23.121 1.765 1.00 0.00 N ATOM 1969 CZ ARG A 135 7.897 -23.476 2.795 1.00 0.00 C ATOM 1970 NH1 ARG A 135 7.012 -22.624 3.294 1.00 0.00 N ATOM 1971 NH2 ARG A 135 8.021 -24.685 3.327 1.00 0.00 N ATOM 0 H ARG A 135 13.043 -20.875 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 135 11.080 -21.760 1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 135 10.318 -20.174 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 135 10.717 -21.417 -1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 135 8.294 -21.355 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.043 -22.913 -0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 135 9.217 -21.107 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.565 -21.438 1.175 1.00 0.00 H new ATOM 0 HE ARG A 135 9.332 -23.799 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.914 -21.694 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 135 6.429 -22.899 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 135 8.701 -25.343 2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.436 -24.957 4.117 1.00 0.00 H new ATOM 1985 N ARG A 136 11.978 -23.528 -1.205 1.00 0.00 N ATOM 1986 CA ARG A 136 12.280 -24.878 -1.665 1.00 0.00 C ATOM 1987 C ARG A 136 11.019 -25.734 -1.722 1.00 0.00 C ATOM 1988 O ARG A 136 11.035 -26.904 -1.338 1.00 0.00 O ATOM 1989 CB ARG A 136 13.313 -25.533 -0.746 1.00 0.00 C ATOM 1990 CG ARG A 136 14.486 -26.150 -1.491 1.00 0.00 C ATOM 1991 CD ARG A 136 15.617 -25.152 -1.676 1.00 0.00 C ATOM 1992 NE ARG A 136 15.295 -24.139 -2.677 1.00 0.00 N ATOM 1993 CZ ARG A 136 16.211 -23.487 -3.386 1.00 0.00 C ATOM 1994 NH1 ARG A 136 17.500 -23.742 -3.203 1.00 0.00 N ATOM 1995 NH2 ARG A 136 15.839 -22.580 -4.278 1.00 0.00 N ATOM 0 H ARG A 136 11.949 -22.827 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 136 12.691 -24.805 -2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 136 13.690 -24.787 -0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 136 12.822 -26.306 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 136 14.851 -27.017 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 136 14.152 -26.507 -2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 136 15.831 -24.666 -0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 136 16.522 -25.681 -1.974 1.00 0.00 H new ATOM 0 HE ARG A 136 14.313 -23.919 -2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 136 17.790 -24.439 -2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 136 18.201 -23.241 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 136 14.849 -22.382 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.543 -22.080 -4.821 1.00 0.00 H new ATOM 2009 N ASP A 137 9.929 -25.147 -2.203 1.00 0.00 N ATOM 2010 CA ASP A 137 8.661 -25.862 -2.312 1.00 0.00 C ATOM 2011 C ASP A 137 7.730 -25.173 -3.305 1.00 0.00 C ATOM 2012 O ASP A 137 7.542 -25.650 -4.424 1.00 0.00 O ATOM 2013 CB ASP A 137 7.983 -25.961 -0.942 1.00 0.00 C ATOM 2014 CG ASP A 137 8.956 -25.764 0.204 1.00 0.00 C ATOM 2015 OD1 ASP A 137 9.657 -24.730 0.216 1.00 0.00 O ATOM 2016 OD2 ASP A 137 9.016 -26.641 1.089 1.00 0.00 O ATOM 0 H ASP A 137 9.897 -24.179 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 137 8.872 -26.867 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 137 7.193 -25.213 -0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 137 7.506 -26.937 -0.846 1.00 0.00 H new ATOM 2021 N ASN A 138 7.153 -24.050 -2.888 1.00 0.00 N ATOM 2022 CA ASN A 138 6.240 -23.295 -3.740 1.00 0.00 C ATOM 2023 C ASN A 138 5.321 -22.412 -2.903 1.00 0.00 C ATOM 2024 O ASN A 138 4.300 -22.872 -2.391 1.00 0.00 O ATOM 2025 CB ASN A 138 5.405 -24.244 -4.602 1.00 0.00 C ATOM 2026 CG ASN A 138 5.859 -24.263 -6.048 1.00 0.00 C ATOM 2027 OD1 ASN A 138 5.059 -24.471 -6.960 1.00 0.00 O ATOM 2028 ND2 ASN A 138 7.152 -24.047 -6.266 1.00 0.00 N ATOM 0 H ASN A 138 7.302 -23.643 -1.965 1.00 0.00 H new ATOM 0 HA ASN A 138 6.838 -22.657 -4.391 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.466 -25.252 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.358 -23.945 -4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.516 -24.050 -7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 138 7.780 -23.879 -5.480 1.00 0.00 H new ATOM 2035 N MET A 139 5.688 -21.142 -2.768 1.00 0.00 N ATOM 2036 CA MET A 139 4.895 -20.196 -1.992 1.00 0.00 C ATOM 2037 C MET A 139 5.396 -18.770 -2.195 1.00 0.00 C ATOM 2038 O MET A 139 6.151 -18.245 -1.376 1.00 0.00 O ATOM 2039 CB MET A 139 4.941 -20.559 -0.507 1.00 0.00 C ATOM 2040 CG MET A 139 3.683 -21.253 -0.011 1.00 0.00 C ATOM 2041 SD MET A 139 3.999 -22.353 1.382 1.00 0.00 S ATOM 2042 CE MET A 139 4.639 -21.195 2.589 1.00 0.00 C ATOM 0 H MET A 139 6.529 -20.744 -3.186 1.00 0.00 H new ATOM 0 HA MET A 139 3.864 -20.252 -2.341 1.00 0.00 H new ATOM 0 HB2 MET A 139 5.799 -21.207 -0.326 1.00 0.00 H new ATOM 0 HB3 MET A 139 5.099 -19.651 0.076 1.00 0.00 H new ATOM 0 HG2 MET A 139 2.950 -20.502 0.284 1.00 0.00 H new ATOM 0 HG3 MET A 139 3.242 -21.825 -0.828 1.00 0.00 H new ATOM 0 HE1 MET A 139 4.765 -21.700 3.547 1.00 0.00 H new ATOM 0 HE2 MET A 139 5.602 -20.812 2.251 1.00 0.00 H new ATOM 0 HE3 MET A 139 3.940 -20.367 2.705 1.00 0.00 H new ATOM 2052 N LYS A 140 4.970 -18.149 -3.289 1.00 0.00 N ATOM 2053 CA LYS A 140 5.375 -16.783 -3.599 1.00 0.00 C ATOM 2054 C LYS A 140 5.316 -15.904 -2.354 1.00 0.00 C ATOM 2055 O LYS A 140 4.239 -15.488 -1.925 1.00 0.00 O ATOM 2056 CB LYS A 140 4.482 -16.199 -4.695 1.00 0.00 C ATOM 2057 CG LYS A 140 3.093 -15.817 -4.207 1.00 0.00 C ATOM 2058 CD LYS A 140 2.086 -15.807 -5.346 1.00 0.00 C ATOM 2059 CE LYS A 140 2.058 -14.461 -6.053 1.00 0.00 C ATOM 2060 NZ LYS A 140 1.793 -14.604 -7.511 1.00 0.00 N ATOM 0 H LYS A 140 4.344 -18.570 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 140 6.405 -16.807 -3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 140 4.966 -15.317 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 140 4.388 -16.926 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 140 2.769 -16.521 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 140 3.128 -14.832 -3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 140 2.337 -16.590 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 140 1.094 -16.036 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 140 1.289 -13.832 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.011 -13.954 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.285 -13.848 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.138 -15.529 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 0.770 -14.535 -7.686 1.00 0.00 H new ATOM 2074 N TRP A 141 6.480 -15.626 -1.776 1.00 0.00 N ATOM 2075 CA TRP A 141 6.560 -14.798 -0.578 1.00 0.00 C ATOM 2076 C TRP A 141 7.502 -13.618 -0.794 1.00 0.00 C ATOM 2077 O TRP A 141 8.379 -13.660 -1.657 1.00 0.00 O ATOM 2078 CB TRP A 141 7.036 -15.632 0.613 1.00 0.00 C ATOM 2079 CG TRP A 141 8.447 -16.114 0.472 1.00 0.00 C ATOM 2080 CD1 TRP A 141 8.856 -17.382 0.176 1.00 0.00 C ATOM 2081 CD2 TRP A 141 9.638 -15.332 0.620 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.227 -17.437 0.130 1.00 0.00 N ATOM 2083 CE2 TRP A 141 10.731 -16.191 0.400 1.00 0.00 C ATOM 2084 CE3 TRP A 141 9.885 -13.989 0.917 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.050 -15.749 0.467 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.195 -13.552 0.984 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.262 -14.430 0.760 1.00 0.00 C ATOM 0 H TRP A 141 7.381 -15.962 -2.118 1.00 0.00 H new ATOM 0 HA TRP A 141 5.563 -14.411 -0.367 1.00 0.00 H new ATOM 0 HB2 TRP A 141 6.952 -15.036 1.522 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.376 -16.491 0.733 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.197 -18.220 0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 141 10.781 -18.270 -0.072 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.068 -13.305 1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 12.876 -16.423 0.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.398 -12.516 1.213 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.274 -14.058 0.820 1.00 0.00 H new ATOM 2098 N CYS A 142 7.315 -12.567 -0.003 1.00 0.00 N ATOM 2099 CA CYS A 142 8.149 -11.376 -0.106 1.00 0.00 C ATOM 2100 C CYS A 142 8.521 -10.854 1.277 1.00 0.00 C ATOM 2101 O CYS A 142 8.241 -11.495 2.289 1.00 0.00 O ATOM 2102 CB CYS A 142 7.426 -10.284 -0.895 1.00 0.00 C ATOM 2103 SG CYS A 142 5.700 -10.008 -0.377 1.00 0.00 S ATOM 0 H CYS A 142 6.593 -12.516 0.716 1.00 0.00 H new ATOM 0 HA CYS A 142 9.063 -11.649 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 142 7.979 -9.350 -0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.439 -10.546 -1.953 1.00 0.00 H new ATOM 2108 N GLY A 143 9.152 -9.686 1.311 1.00 0.00 N ATOM 2109 CA GLY A 143 9.549 -9.097 2.574 1.00 0.00 C ATOM 2110 C GLY A 143 8.609 -7.997 3.022 1.00 0.00 C ATOM 2111 O GLY A 143 8.232 -7.131 2.231 1.00 0.00 O ATOM 0 H GLY A 143 9.395 -9.137 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 143 9.585 -9.874 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.557 -8.694 2.482 1.00 0.00 H new ATOM 2115 N THR A 144 8.228 -8.028 4.295 1.00 0.00 N ATOM 2116 CA THR A 144 7.328 -7.023 4.845 1.00 0.00 C ATOM 2117 C THR A 144 8.075 -5.733 5.166 1.00 0.00 C ATOM 2118 O THR A 144 7.504 -4.797 5.729 1.00 0.00 O ATOM 2119 CB THR A 144 6.629 -7.531 6.120 1.00 0.00 C ATOM 2120 OG1 THR A 144 7.584 -8.150 6.990 1.00 0.00 O ATOM 2121 CG2 THR A 144 5.532 -8.528 5.773 1.00 0.00 C ATOM 0 H THR A 144 8.528 -8.737 4.963 1.00 0.00 H new ATOM 0 HA THR A 144 6.574 -6.823 4.083 1.00 0.00 H new ATOM 0 HB THR A 144 6.178 -6.677 6.626 1.00 0.00 H new ATOM 0 HG1 THR A 144 7.266 -9.042 7.243 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.052 -8.874 6.688 1.00 0.00 H new ATOM 0 HG22 THR A 144 4.792 -8.047 5.134 1.00 0.00 H new ATOM 0 HG23 THR A 144 5.966 -9.379 5.248 1.00 0.00 H new ATOM 2129 N THR A 145 9.354 -5.687 4.805 1.00 0.00 N ATOM 2130 CA THR A 145 10.177 -4.512 5.054 1.00 0.00 C ATOM 2131 C THR A 145 11.064 -4.199 3.852 1.00 0.00 C ATOM 2132 O THR A 145 11.549 -5.103 3.173 1.00 0.00 O ATOM 2133 CB THR A 145 11.064 -4.700 6.299 1.00 0.00 C ATOM 2134 OG1 THR A 145 12.003 -5.759 6.076 1.00 0.00 O ATOM 2135 CG2 THR A 145 10.216 -5.017 7.522 1.00 0.00 C ATOM 0 H THR A 145 9.842 -6.452 4.339 1.00 0.00 H new ATOM 0 HA THR A 145 9.496 -3.679 5.227 1.00 0.00 H new ATOM 0 HB THR A 145 11.603 -3.770 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.676 -6.340 5.357 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.863 -5.146 8.390 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.521 -4.197 7.706 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.655 -5.935 7.348 1.00 0.00 H new ATOM 2143 N GLN A 146 11.267 -2.911 3.596 1.00 0.00 N ATOM 2144 CA GLN A 146 12.092 -2.468 2.475 1.00 0.00 C ATOM 2145 C GLN A 146 13.254 -3.425 2.230 1.00 0.00 C ATOM 2146 O GLN A 146 13.693 -3.603 1.094 1.00 0.00 O ATOM 2147 CB GLN A 146 12.626 -1.062 2.742 1.00 0.00 C ATOM 2148 CG GLN A 146 11.895 0.021 1.970 1.00 0.00 C ATOM 2149 CD GLN A 146 12.619 1.352 2.001 1.00 0.00 C ATOM 2150 OE1 GLN A 146 12.225 2.269 2.722 1.00 0.00 O ATOM 2151 NE2 GLN A 146 13.685 1.464 1.219 1.00 0.00 N ATOM 0 H GLN A 146 10.871 -2.152 4.151 1.00 0.00 H new ATOM 0 HA GLN A 146 11.467 -2.456 1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.551 -0.850 3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.685 -1.029 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 146 11.772 -0.297 0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 146 10.895 0.146 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 146 13.976 0.678 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 146 14.214 2.336 1.199 1.00 0.00 H new ATOM 2160 N ASN A 147 13.748 -4.031 3.300 1.00 0.00 N ATOM 2161 CA ASN A 147 14.864 -4.968 3.207 1.00 0.00 C ATOM 2162 C ASN A 147 14.571 -6.245 3.988 1.00 0.00 C ATOM 2163 O ASN A 147 14.735 -6.294 5.206 1.00 0.00 O ATOM 2164 CB ASN A 147 16.141 -4.313 3.731 1.00 0.00 C ATOM 2165 CG ASN A 147 16.100 -2.801 3.628 1.00 0.00 C ATOM 2166 OD1 ASN A 147 16.528 -2.223 2.630 1.00 0.00 O ATOM 2167 ND2 ASN A 147 15.581 -2.152 4.664 1.00 0.00 N ATOM 0 H ASN A 147 13.394 -3.892 4.246 1.00 0.00 H new ATOM 0 HA ASN A 147 15.002 -5.234 2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.292 -4.599 4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.996 -4.690 3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 147 15.526 -1.134 4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 147 15.238 -2.672 5.472 1.00 0.00 H new ATOM 2174 N TYR A 148 14.134 -7.278 3.274 1.00 0.00 N ATOM 2175 CA TYR A 148 13.809 -8.559 3.892 1.00 0.00 C ATOM 2176 C TYR A 148 14.993 -9.110 4.682 1.00 0.00 C ATOM 2177 O TYR A 148 14.919 -9.267 5.901 1.00 0.00 O ATOM 2178 CB TYR A 148 13.386 -9.567 2.823 1.00 0.00 C ATOM 2179 CG TYR A 148 13.448 -11.005 3.284 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.952 -11.378 4.527 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.001 -11.991 2.476 1.00 0.00 C ATOM 2182 CE1 TYR A 148 13.007 -12.692 4.952 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.058 -13.306 2.894 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.560 -13.651 4.132 1.00 0.00 C ATOM 2185 OH TYR A 148 13.616 -14.961 4.552 1.00 0.00 O ATOM 0 H TYR A 148 13.996 -7.252 2.264 1.00 0.00 H new ATOM 0 HA TYR A 148 12.983 -8.396 4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.368 -9.340 2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 148 14.027 -9.447 1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.516 -10.629 5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.393 -11.725 1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.618 -12.966 5.922 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.491 -14.061 2.254 1.00 0.00 H new ATOM 0 HH TYR A 148 14.034 -15.510 3.856 1.00 0.00 H new ATOM 2195 N ASP A 149 16.081 -9.411 3.980 1.00 0.00 N ATOM 2196 CA ASP A 149 17.277 -9.954 4.617 1.00 0.00 C ATOM 2197 C ASP A 149 17.954 -8.913 5.503 1.00 0.00 C ATOM 2198 O ASP A 149 18.918 -9.217 6.204 1.00 0.00 O ATOM 2199 CB ASP A 149 18.262 -10.453 3.560 1.00 0.00 C ATOM 2200 CG ASP A 149 19.637 -10.730 4.133 1.00 0.00 C ATOM 2201 OD1 ASP A 149 19.713 -11.289 5.248 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.637 -10.388 3.469 1.00 0.00 O ATOM 0 H ASP A 149 16.160 -9.288 2.970 1.00 0.00 H new ATOM 0 HA ASP A 149 16.968 -10.790 5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 149 17.871 -11.363 3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.345 -9.710 2.766 1.00 0.00 H new ATOM 2207 N ALA A 150 17.447 -7.686 5.465 1.00 0.00 N ATOM 2208 CA ALA A 150 18.010 -6.607 6.266 1.00 0.00 C ATOM 2209 C ALA A 150 17.053 -6.185 7.378 1.00 0.00 C ATOM 2210 O ALA A 150 17.343 -5.264 8.142 1.00 0.00 O ATOM 2211 CB ALA A 150 18.352 -5.420 5.379 1.00 0.00 C ATOM 0 H ALA A 150 16.650 -7.415 4.890 1.00 0.00 H new ATOM 0 HA ALA A 150 18.923 -6.974 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 150 18.772 -4.620 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 150 19.081 -5.725 4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 150 17.449 -5.063 4.884 1.00 0.00 H new ATOM 2217 N ASP A 151 15.912 -6.863 7.463 1.00 0.00 N ATOM 2218 CA ASP A 151 14.916 -6.556 8.483 1.00 0.00 C ATOM 2219 C ASP A 151 14.171 -7.814 8.918 1.00 0.00 C ATOM 2220 O ASP A 151 13.122 -7.736 9.554 1.00 0.00 O ATOM 2221 CB ASP A 151 13.923 -5.516 7.959 1.00 0.00 C ATOM 2222 CG ASP A 151 13.900 -4.259 8.806 1.00 0.00 C ATOM 2223 OD1 ASP A 151 13.607 -4.363 10.015 1.00 0.00 O ATOM 2224 OD2 ASP A 151 14.175 -3.171 8.258 1.00 0.00 O ATOM 0 H ASP A 151 15.655 -7.627 6.838 1.00 0.00 H new ATOM 0 HA ASP A 151 15.436 -6.149 9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 151 14.183 -5.255 6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.924 -5.952 7.934 1.00 0.00 H new ATOM 2229 N GLN A 152 14.722 -8.974 8.569 1.00 0.00 N ATOM 2230 CA GLN A 152 14.110 -10.251 8.922 1.00 0.00 C ATOM 2231 C GLN A 152 12.588 -10.155 8.882 1.00 0.00 C ATOM 2232 O GLN A 152 11.910 -10.451 9.866 1.00 0.00 O ATOM 2233 CB GLN A 152 14.567 -10.690 10.314 1.00 0.00 C ATOM 2234 CG GLN A 152 15.315 -12.013 10.320 1.00 0.00 C ATOM 2235 CD GLN A 152 16.235 -12.169 9.124 1.00 0.00 C ATOM 2236 OE1 GLN A 152 16.114 -13.119 8.352 1.00 0.00 O ATOM 2237 NE2 GLN A 152 17.162 -11.231 8.966 1.00 0.00 N ATOM 0 H GLN A 152 15.591 -9.055 8.042 1.00 0.00 H new ATOM 0 HA GLN A 152 14.429 -10.993 8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.209 -9.917 10.737 1.00 0.00 H new ATOM 0 HB3 GLN A 152 13.696 -10.772 10.964 1.00 0.00 H new ATOM 0 HG2 GLN A 152 15.900 -12.091 11.236 1.00 0.00 H new ATOM 0 HG3 GLN A 152 14.596 -12.832 10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 152 17.226 -10.460 9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 152 17.810 -11.281 8.180 1.00 0.00 H new ATOM 2246 N LYS A 153 12.058 -9.740 7.737 1.00 0.00 N ATOM 2247 CA LYS A 153 10.616 -9.605 7.566 1.00 0.00 C ATOM 2248 C LYS A 153 10.159 -10.260 6.266 1.00 0.00 C ATOM 2249 O LYS A 153 10.562 -9.849 5.178 1.00 0.00 O ATOM 2250 CB LYS A 153 10.219 -8.128 7.572 1.00 0.00 C ATOM 2251 CG LYS A 153 9.387 -7.728 8.780 1.00 0.00 C ATOM 2252 CD LYS A 153 10.192 -7.820 10.065 1.00 0.00 C ATOM 2253 CE LYS A 153 9.321 -7.575 11.286 1.00 0.00 C ATOM 2254 NZ LYS A 153 9.944 -8.107 12.530 1.00 0.00 N ATOM 0 H LYS A 153 12.605 -9.491 6.913 1.00 0.00 H new ATOM 0 HA LYS A 153 10.127 -10.111 8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 153 11.121 -7.517 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 153 9.657 -7.907 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 153 9.022 -6.709 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 153 8.512 -8.374 8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 153 10.653 -8.805 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 153 11.001 -7.090 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 153 9.145 -6.505 11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 153 8.348 -8.044 11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 9.212 -8.546 13.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 10.661 -8.818 12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 10.394 -7.329 13.053 1.00 0.00 H new ATOM 2268 N PHE A 154 9.318 -11.283 6.387 1.00 0.00 N ATOM 2269 CA PHE A 154 8.811 -11.994 5.219 1.00 0.00 C ATOM 2270 C PHE A 154 7.369 -12.447 5.437 1.00 0.00 C ATOM 2271 O PHE A 154 6.917 -12.588 6.573 1.00 0.00 O ATOM 2272 CB PHE A 154 9.708 -13.197 4.903 1.00 0.00 C ATOM 2273 CG PHE A 154 9.273 -14.476 5.562 1.00 0.00 C ATOM 2274 CD1 PHE A 154 8.226 -15.220 5.039 1.00 0.00 C ATOM 2275 CD2 PHE A 154 9.914 -14.937 6.701 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.826 -16.397 5.642 1.00 0.00 C ATOM 2277 CE2 PHE A 154 9.518 -16.114 7.308 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.473 -16.844 6.777 1.00 0.00 C ATOM 0 H PHE A 154 8.974 -11.637 7.280 1.00 0.00 H new ATOM 0 HA PHE A 154 8.824 -11.311 4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.731 -13.346 3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.727 -12.969 5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.718 -14.876 4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 154 10.733 -14.370 7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.008 -16.967 5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 154 10.025 -16.462 8.196 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.162 -17.764 7.249 1.00 0.00 H new ATOM 2288 N GLY A 155 6.653 -12.674 4.339 1.00 0.00 N ATOM 2289 CA GLY A 155 5.271 -13.108 4.430 1.00 0.00 C ATOM 2290 C GLY A 155 4.732 -13.607 3.103 1.00 0.00 C ATOM 2291 O GLY A 155 5.173 -13.165 2.042 1.00 0.00 O ATOM 0 H GLY A 155 7.006 -12.565 3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.191 -13.901 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.655 -12.280 4.780 1.00 0.00 H new ATOM 2295 N PHE A 156 3.774 -14.527 3.163 1.00 0.00 N ATOM 2296 CA PHE A 156 3.174 -15.084 1.956 1.00 0.00 C ATOM 2297 C PHE A 156 2.134 -14.130 1.377 1.00 0.00 C ATOM 2298 O PHE A 156 1.257 -13.646 2.091 1.00 0.00 O ATOM 2299 CB PHE A 156 2.529 -16.437 2.259 1.00 0.00 C ATOM 2300 CG PHE A 156 3.407 -17.356 3.061 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.659 -17.721 2.594 1.00 0.00 C ATOM 2302 CD2 PHE A 156 2.979 -17.853 4.282 1.00 0.00 C ATOM 2303 CE1 PHE A 156 5.469 -18.565 3.329 1.00 0.00 C ATOM 2304 CE2 PHE A 156 3.784 -18.697 5.021 1.00 0.00 C ATOM 2305 CZ PHE A 156 5.031 -19.054 4.544 1.00 0.00 C ATOM 0 H PHE A 156 3.397 -14.902 4.034 1.00 0.00 H new ATOM 0 HA PHE A 156 3.964 -15.224 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 156 1.598 -16.273 2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.269 -16.925 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 156 5.006 -17.341 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 156 2.005 -17.577 4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.443 -18.842 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 156 3.439 -19.078 5.971 1.00 0.00 H new ATOM 0 HZ PHE A 156 5.662 -19.714 5.120 1.00 0.00 H new ATOM 2315 N CYS A 157 2.241 -13.862 0.079 1.00 0.00 N ATOM 2316 CA CYS A 157 1.309 -12.964 -0.594 1.00 0.00 C ATOM 2317 C CYS A 157 0.111 -13.732 -1.141 1.00 0.00 C ATOM 2318 O CYS A 157 -0.021 -14.937 -0.927 1.00 0.00 O ATOM 2319 CB CYS A 157 2.015 -12.221 -1.730 1.00 0.00 C ATOM 2320 SG CYS A 157 3.832 -12.228 -1.612 1.00 0.00 S ATOM 0 H CYS A 157 2.963 -14.253 -0.527 1.00 0.00 H new ATOM 0 HA CYS A 157 0.950 -12.240 0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 157 1.722 -12.669 -2.679 1.00 0.00 H new ATOM 0 HB3 CYS A 157 1.667 -11.188 -1.745 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.783 -13.035 -1.859 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.981 -13.646 -2.443 1.00 0.00 C ATOM 2327 C PRO A 158 -1.650 -14.859 -3.304 1.00 0.00 C ATOM 2328 O PRO A 158 -0.519 -15.345 -3.302 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.571 -12.525 -3.303 1.00 0.00 C ATOM 2330 CG PRO A 158 -2.059 -11.266 -2.691 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.693 -11.594 -2.156 1.00 0.00 C ATOM 0 HA PRO A 158 -2.663 -14.017 -1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -2.256 -12.616 -4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.661 -12.553 -3.297 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -2.008 -10.466 -3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.719 -10.923 -1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.087 -11.382 -2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -0.460 -11.013 -1.264 1.00 0.00 H new ATOM 2339 N MET A 159 -2.643 -15.345 -4.041 1.00 0.00 N ATOM 2340 CA MET A 159 -2.457 -16.503 -4.908 1.00 0.00 C ATOM 2341 C MET A 159 -1.934 -17.697 -4.117 1.00 0.00 C ATOM 2342 O MET A 159 -1.387 -17.539 -3.026 1.00 0.00 O ATOM 2343 CB MET A 159 -1.489 -16.165 -6.044 1.00 0.00 C ATOM 2344 CG MET A 159 -2.102 -15.293 -7.127 1.00 0.00 C ATOM 2345 SD MET A 159 -1.660 -13.554 -6.951 1.00 0.00 S ATOM 2346 CE MET A 159 -3.278 -12.812 -6.748 1.00 0.00 C ATOM 0 H MET A 159 -3.585 -14.955 -4.055 1.00 0.00 H new ATOM 0 HA MET A 159 -3.426 -16.768 -5.332 1.00 0.00 H new ATOM 0 HB2 MET A 159 -0.619 -15.656 -5.629 1.00 0.00 H new ATOM 0 HB3 MET A 159 -1.132 -17.092 -6.494 1.00 0.00 H new ATOM 0 HG2 MET A 159 -1.775 -15.650 -8.104 1.00 0.00 H new ATOM 0 HG3 MET A 159 -3.187 -15.393 -7.098 1.00 0.00 H new ATOM 0 HE1 MET A 159 -3.173 -11.732 -6.645 1.00 0.00 H new ATOM 0 HE2 MET A 159 -3.893 -13.035 -7.620 1.00 0.00 H new ATOM 0 HE3 MET A 159 -3.755 -13.217 -5.855 1.00 0.00 H new ATOM 2356 N ALA A 160 -2.106 -18.891 -4.674 1.00 0.00 N ATOM 2357 CA ALA A 160 -1.651 -20.111 -4.020 1.00 0.00 C ATOM 2358 C ALA A 160 -0.571 -20.806 -4.844 1.00 0.00 C ATOM 2359 O ALA A 160 -0.917 -21.720 -5.622 1.00 0.00 O ATOM 2360 CB ALA A 160 -2.824 -21.051 -3.785 1.00 0.00 C ATOM 2361 OXT ALA A 160 0.612 -20.429 -4.705 1.00 0.00 O ATOM 0 H ALA A 160 -2.557 -19.039 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 160 -1.218 -19.839 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 160 -2.471 -21.959 -3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 160 -3.562 -20.560 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 160 -3.281 -21.308 -4.740 1.00 0.00 H new TER 2367 ALA A 160 HETATM 2368 C1 NAG A 161 18.215 -1.428 -2.380 1.00 0.00 C HETATM 2369 C2 NAG A 161 19.589 -1.060 -1.848 1.00 0.00 C HETATM 2370 C3 NAG A 161 19.466 0.188 -0.981 1.00 0.00 C HETATM 2371 C4 NAG A 161 18.900 1.363 -1.813 1.00 0.00 C HETATM 2372 C5 NAG A 161 17.492 0.915 -2.355 1.00 0.00 C HETATM 2373 C6 NAG A 161 16.850 1.983 -3.255 1.00 0.00 C HETATM 2374 C7 NAG A 161 21.395 -2.602 -1.310 1.00 0.00 C HETATM 2375 C8 NAG A 161 21.867 -3.747 -0.418 1.00 0.00 C HETATM 2376 N2 NAG A 161 20.169 -2.148 -1.074 1.00 0.00 N HETATM 2377 O3 NAG A 161 20.743 0.542 -0.477 1.00 0.00 O HETATM 2378 O4 NAG A 161 18.814 2.495 -0.956 1.00 0.00 O HETATM 2379 O5 NAG A 161 17.663 -0.316 -3.114 1.00 0.00 O HETATM 2380 O6 NAG A 161 16.805 3.217 -2.539 1.00 0.00 O HETATM 2381 O7 NAG A 161 22.119 -2.138 -2.192 1.00 0.00 O HETATM 0 HO6 NAG A 161 16.399 3.908 -3.103 1.00 0.00 H new HETATM 0 HO4 NAG A 161 18.120 3.103 -1.286 1.00 0.00 H new HETATM 0 HO3 NAG A 161 20.810 1.518 -0.413 1.00 0.00 H new HETATM 0 HN2 NAG A 161 19.618 -2.574 -0.329 1.00 0.00 H new HETATM 0 H83 NAG A 161 21.859 -3.424 0.623 1.00 0.00 H new HETATM 0 H82 NAG A 161 21.200 -4.601 -0.538 1.00 0.00 H new HETATM 0 H81 NAG A 161 22.879 -4.035 -0.701 1.00 0.00 H new HETATM 0 H62 NAG A 161 17.426 2.099 -4.173 1.00 0.00 H new HETATM 0 H61 NAG A 161 15.845 1.678 -3.546 1.00 0.00 H new HETATM 0 H5 NAG A 161 16.828 0.765 -1.504 1.00 0.00 H new HETATM 0 H4 NAG A 161 19.529 1.628 -2.663 1.00 0.00 H new HETATM 0 H3 NAG A 161 18.788 -0.022 -0.154 1.00 0.00 H new HETATM 0 H2 NAG A 161 20.250 -0.867 -2.693 1.00 0.00 H new