USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 971 hydrogens (8 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: B 8 PTR HN2 : B 8 PTR N : B 7 THR C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 THR C :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot 72:sc= 0.142 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -5.12! C(o=-5!,f=-6.4!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -7.36 X(o=-8.9,f=-9!) USER MOD Set 2.2: A 13 MET CE :methyl -170:sc= -1.55 (180deg=-1.5) USER MOD Set 2.3: A 113 SER OG : rot 86:sc= 0.0458 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.012) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0186 K(o=-0.019,f=-2.4!) USER MOD Single : A 20 THR OG1 : rot 101:sc= 0.856 USER MOD Single : A 23 GLN : amide:sc= -5.81! C(o=-5.8!,f=-7.4!) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.045 (180deg=-0.252) USER MOD Single : A 30 THR OG1 : rot 128:sc= 1.05 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0759 F(o=-0.71,f=-0.076) USER MOD Single : A 49 SER OG : rot -70:sc= 1.24 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 80:sc= 1.1 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -163:sc= -1.2 (180deg=-1.48) USER MOD Single : A 69 CYS SG : rot 43:sc= 0.961 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -134:sc= 1.08 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00623 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -104:sc= 0.75 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN :FLIP amide:sc= -3.94! C(o=-5.1!,f=-3.9!) USER MOD Single : A 111 TYR OH : rot 30:sc=-0.00714 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 116 SER OG : rot -103:sc= 0.386 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -111:sc= 0.0836 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.48) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0.083) USER MOD Single : B 14 GLN : amide:sc= 0.215 X(o=0.21,f=-0.0018) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.902 -13.512 -21.330 1.00 0.00 N ATOM 2 CA GLY A 1 -7.405 -14.848 -21.598 1.00 0.00 C ATOM 3 C GLY A 1 -6.619 -15.417 -20.433 1.00 0.00 C ATOM 4 O GLY A 1 -7.103 -15.442 -19.301 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.432 -13.167 -22.155 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.529 -13.535 -20.501 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.102 -12.875 -21.142 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.244 -15.506 -21.823 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.771 -14.826 -22.484 1.00 0.00 H new ATOM 8 N SER A 2 -5.403 -15.879 -20.711 1.00 0.00 N ATOM 9 CA SER A 2 -4.551 -16.455 -19.678 1.00 0.00 C ATOM 10 C SER A 2 -4.070 -15.381 -18.708 1.00 0.00 C ATOM 11 O SER A 2 -3.420 -14.415 -19.107 1.00 0.00 O ATOM 12 CB SER A 2 -3.350 -17.159 -20.314 1.00 0.00 C ATOM 13 OG SER A 2 -3.746 -18.351 -20.970 1.00 0.00 O ATOM 0 H SER A 2 -4.987 -15.865 -21.642 1.00 0.00 H new ATOM 0 HA SER A 2 -5.139 -17.184 -19.121 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.869 -16.490 -21.028 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.612 -17.391 -19.546 1.00 0.00 H new ATOM 0 HG SER A 2 -2.961 -18.781 -21.369 1.00 0.00 H new ATOM 19 N SER A 3 -4.394 -15.558 -17.432 1.00 0.00 N ATOM 20 CA SER A 3 -3.999 -14.602 -16.403 1.00 0.00 C ATOM 21 C SER A 3 -2.543 -14.183 -16.581 1.00 0.00 C ATOM 22 O SER A 3 -1.802 -14.786 -17.358 1.00 0.00 O ATOM 23 CB SER A 3 -4.201 -15.205 -15.012 1.00 0.00 C ATOM 24 OG SER A 3 -3.600 -16.485 -14.919 1.00 0.00 O ATOM 0 H SER A 3 -4.929 -16.354 -17.085 1.00 0.00 H new ATOM 0 HA SER A 3 -4.629 -13.718 -16.503 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.772 -14.543 -14.259 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.267 -15.284 -14.798 1.00 0.00 H new ATOM 0 HG SER A 3 -3.742 -16.848 -14.020 1.00 0.00 H new ATOM 30 N GLY A 4 -2.138 -13.146 -15.855 1.00 0.00 N ATOM 31 CA GLY A 4 -0.773 -12.663 -15.946 1.00 0.00 C ATOM 32 C GLY A 4 0.033 -12.962 -14.698 1.00 0.00 C ATOM 33 O GLY A 4 -0.501 -13.473 -13.714 1.00 0.00 O ATOM 0 H GLY A 4 -2.732 -12.631 -15.205 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.286 -13.120 -16.807 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.783 -11.587 -16.119 1.00 0.00 H new ATOM 37 N SER A 5 1.323 -12.645 -14.737 1.00 0.00 N ATOM 38 CA SER A 5 2.206 -12.889 -13.603 1.00 0.00 C ATOM 39 C SER A 5 2.345 -11.636 -12.745 1.00 0.00 C ATOM 40 O SER A 5 1.927 -10.548 -13.142 1.00 0.00 O ATOM 41 CB SER A 5 3.583 -13.343 -14.090 1.00 0.00 C ATOM 42 OG SER A 5 4.321 -13.946 -13.040 1.00 0.00 O ATOM 0 H SER A 5 1.780 -12.218 -15.543 1.00 0.00 H new ATOM 0 HA SER A 5 1.766 -13.679 -12.994 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.467 -14.051 -14.911 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.134 -12.488 -14.482 1.00 0.00 H new ATOM 0 HG SER A 5 5.197 -14.229 -13.376 1.00 0.00 H new ATOM 48 N SER A 6 2.934 -11.797 -11.564 1.00 0.00 N ATOM 49 CA SER A 6 3.126 -10.679 -10.646 1.00 0.00 C ATOM 50 C SER A 6 3.736 -9.482 -11.368 1.00 0.00 C ATOM 51 O SER A 6 4.564 -9.638 -12.264 1.00 0.00 O ATOM 52 CB SER A 6 4.024 -11.098 -9.481 1.00 0.00 C ATOM 53 OG SER A 6 3.295 -11.831 -8.512 1.00 0.00 O ATOM 0 H SER A 6 3.286 -12.690 -11.220 1.00 0.00 H new ATOM 0 HA SER A 6 2.150 -10.388 -10.257 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.850 -11.704 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.461 -10.213 -9.019 1.00 0.00 H new ATOM 0 HG SER A 6 3.892 -12.088 -7.779 1.00 0.00 H new ATOM 59 N GLY A 7 3.318 -8.284 -10.970 1.00 0.00 N ATOM 60 CA GLY A 7 3.833 -7.076 -11.589 1.00 0.00 C ATOM 61 C GLY A 7 4.047 -5.958 -10.588 1.00 0.00 C ATOM 62 O GLY A 7 4.996 -5.183 -10.708 1.00 0.00 O ATOM 0 H GLY A 7 2.633 -8.128 -10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.777 -7.300 -12.086 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.138 -6.742 -12.360 1.00 0.00 H new ATOM 66 N TRP A 8 3.165 -5.875 -9.599 1.00 0.00 N ATOM 67 CA TRP A 8 3.263 -4.842 -8.574 1.00 0.00 C ATOM 68 C TRP A 8 3.712 -5.435 -7.244 1.00 0.00 C ATOM 69 O TRP A 8 3.431 -4.883 -6.179 1.00 0.00 O ATOM 70 CB TRP A 8 1.916 -4.136 -8.402 1.00 0.00 C ATOM 71 CG TRP A 8 0.741 -5.018 -8.703 1.00 0.00 C ATOM 72 CD1 TRP A 8 -0.113 -4.911 -9.764 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.290 -6.136 -7.932 1.00 0.00 C ATOM 74 NE1 TRP A 8 -1.067 -5.898 -9.699 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.842 -6.663 -8.585 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.733 -6.747 -6.755 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.534 -7.769 -8.099 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.044 -7.843 -6.273 1.00 0.00 C ATOM 79 CH2 TRP A 8 -1.079 -8.345 -6.944 1.00 0.00 C ATOM 0 H TRP A 8 2.375 -6.510 -9.485 1.00 0.00 H new ATOM 0 HA TRP A 8 4.009 -4.115 -8.897 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.834 -3.770 -7.379 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.884 -3.265 -9.056 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.048 -4.162 -10.539 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.821 -6.038 -10.372 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.599 -6.369 -6.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.399 -8.159 -8.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.377 -8.321 -5.363 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.596 -9.204 -6.542 1.00 0.00 H new ATOM 90 N TYR A 9 4.412 -6.563 -7.310 1.00 0.00 N ATOM 91 CA TYR A 9 4.899 -7.232 -6.111 1.00 0.00 C ATOM 92 C TYR A 9 6.359 -6.879 -5.845 1.00 0.00 C ATOM 93 O TYR A 9 7.142 -6.681 -6.774 1.00 0.00 O ATOM 94 CB TYR A 9 4.746 -8.747 -6.249 1.00 0.00 C ATOM 95 CG TYR A 9 4.842 -9.489 -4.935 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.999 -9.175 -3.875 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.776 -10.501 -4.751 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.084 -9.849 -2.672 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.866 -11.181 -3.553 1.00 0.00 C ATOM 100 CZ TYR A 9 5.018 -10.852 -2.516 1.00 0.00 C ATOM 101 OH TYR A 9 5.107 -11.525 -1.320 1.00 0.00 O ATOM 0 H TYR A 9 4.654 -7.033 -8.182 1.00 0.00 H new ATOM 0 HA TYR A 9 4.301 -6.889 -5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.783 -8.966 -6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.515 -9.121 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.266 -8.391 -3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.443 -10.760 -5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.423 -9.592 -1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.597 -11.967 -3.428 1.00 0.00 H new ATOM 0 HH TYR A 9 5.814 -12.201 -1.377 1.00 0.00 H new ATOM 111 N HIS A 10 6.720 -6.804 -4.568 1.00 0.00 N ATOM 112 CA HIS A 10 8.086 -6.477 -4.177 1.00 0.00 C ATOM 113 C HIS A 10 8.604 -7.462 -3.134 1.00 0.00 C ATOM 114 O HIS A 10 9.270 -7.073 -2.174 1.00 0.00 O ATOM 115 CB HIS A 10 8.155 -5.052 -3.628 1.00 0.00 C ATOM 116 CG HIS A 10 7.578 -4.025 -4.553 1.00 0.00 C ATOM 117 ND1 HIS A 10 8.302 -2.956 -5.037 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.339 -3.909 -5.085 1.00 0.00 C ATOM 119 CE1 HIS A 10 7.532 -2.226 -5.825 1.00 0.00 C ATOM 120 NE2 HIS A 10 6.337 -2.784 -5.871 1.00 0.00 N ATOM 0 H HIS A 10 6.085 -6.965 -3.786 1.00 0.00 H new ATOM 0 HA HIS A 10 8.717 -6.548 -5.063 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.624 -5.012 -2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.196 -4.800 -3.423 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.507 -4.577 -4.921 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.830 -1.326 -6.343 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.541 -2.435 -6.405 1.00 0.00 H new ATOM 129 N GLY A 11 8.292 -8.740 -3.327 1.00 0.00 N ATOM 130 CA GLY A 11 8.733 -9.761 -2.394 1.00 0.00 C ATOM 131 C GLY A 11 8.749 -9.268 -0.960 1.00 0.00 C ATOM 132 O GLY A 11 7.736 -9.337 -0.261 1.00 0.00 O ATOM 0 H GLY A 11 7.742 -9.087 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.075 -10.627 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.733 -10.095 -2.671 1.00 0.00 H new ATOM 136 N HIS A 12 9.900 -8.770 -0.519 1.00 0.00 N ATOM 137 CA HIS A 12 10.043 -8.266 0.842 1.00 0.00 C ATOM 138 C HIS A 12 10.367 -6.774 0.836 1.00 0.00 C ATOM 139 O HIS A 12 11.105 -6.293 -0.022 1.00 0.00 O ATOM 140 CB HIS A 12 11.139 -9.034 1.581 1.00 0.00 C ATOM 141 CG HIS A 12 11.724 -8.280 2.736 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.038 -7.863 2.773 1.00 0.00 N ATOM 143 CD2 HIS A 12 11.166 -7.869 3.898 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.263 -7.228 3.909 1.00 0.00 C ATOM 145 NE2 HIS A 12 12.143 -7.217 4.610 1.00 0.00 N ATOM 0 H HIS A 12 10.747 -8.705 -1.084 1.00 0.00 H new ATOM 0 HA HIS A 12 9.095 -8.413 1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.729 -9.977 1.943 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.935 -9.281 0.878 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.143 -8.025 4.208 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.203 -6.792 4.213 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.023 -6.793 5.530 1.00 0.00 H new ATOM 154 N MET A 13 9.808 -6.049 1.799 1.00 0.00 N ATOM 155 CA MET A 13 10.038 -4.613 1.906 1.00 0.00 C ATOM 156 C MET A 13 9.410 -4.054 3.178 1.00 0.00 C ATOM 157 O MET A 13 8.345 -4.500 3.604 1.00 0.00 O ATOM 158 CB MET A 13 9.468 -3.892 0.682 1.00 0.00 C ATOM 159 CG MET A 13 9.717 -2.392 0.690 1.00 0.00 C ATOM 160 SD MET A 13 8.750 -1.521 -0.558 1.00 0.00 S ATOM 161 CE MET A 13 9.494 -2.149 -2.062 1.00 0.00 C ATOM 0 H MET A 13 9.193 -6.432 2.516 1.00 0.00 H new ATOM 0 HA MET A 13 11.114 -4.445 1.950 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.907 -4.320 -0.219 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.394 -4.074 0.631 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.476 -1.993 1.675 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.777 -2.203 0.520 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.129 -1.576 -2.915 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.578 -2.055 -1.998 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.228 -3.198 -2.189 1.00 0.00 H new ATOM 171 N SER A 14 10.077 -3.075 3.782 1.00 0.00 N ATOM 172 CA SER A 14 9.586 -2.458 5.008 1.00 0.00 C ATOM 173 C SER A 14 8.967 -1.094 4.720 1.00 0.00 C ATOM 174 O SER A 14 9.295 -0.449 3.725 1.00 0.00 O ATOM 175 CB SER A 14 10.724 -2.311 6.021 1.00 0.00 C ATOM 176 OG SER A 14 11.708 -1.403 5.554 1.00 0.00 O ATOM 0 H SER A 14 10.959 -2.692 3.442 1.00 0.00 H new ATOM 0 HA SER A 14 8.816 -3.105 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.325 -1.962 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.180 -3.284 6.204 1.00 0.00 H new ATOM 0 HG SER A 14 12.423 -1.325 6.219 1.00 0.00 H new ATOM 182 N GLY A 15 8.068 -0.661 5.600 1.00 0.00 N ATOM 183 CA GLY A 15 7.416 0.623 5.423 1.00 0.00 C ATOM 184 C GLY A 15 8.405 1.748 5.191 1.00 0.00 C ATOM 185 O GLY A 15 8.072 2.760 4.574 1.00 0.00 O ATOM 0 H GLY A 15 7.780 -1.177 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.731 0.566 4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.816 0.847 6.305 1.00 0.00 H new ATOM 189 N GLY A 16 9.626 1.573 5.687 1.00 0.00 N ATOM 190 CA GLY A 16 10.647 2.591 5.521 1.00 0.00 C ATOM 191 C GLY A 16 11.198 2.636 4.109 1.00 0.00 C ATOM 192 O GLY A 16 11.661 3.680 3.651 1.00 0.00 O ATOM 0 H GLY A 16 9.926 0.745 6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.229 3.565 5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.462 2.401 6.220 1.00 0.00 H new ATOM 196 N GLN A 17 11.148 1.501 3.420 1.00 0.00 N ATOM 197 CA GLN A 17 11.648 1.415 2.053 1.00 0.00 C ATOM 198 C GLN A 17 10.604 1.918 1.060 1.00 0.00 C ATOM 199 O GLN A 17 10.939 2.561 0.065 1.00 0.00 O ATOM 200 CB GLN A 17 12.035 -0.026 1.719 1.00 0.00 C ATOM 201 CG GLN A 17 12.724 -0.174 0.372 1.00 0.00 C ATOM 202 CD GLN A 17 13.686 -1.345 0.333 1.00 0.00 C ATOM 203 OE1 GLN A 17 13.271 -2.502 0.265 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.980 -1.050 0.378 1.00 0.00 N ATOM 0 H GLN A 17 10.767 0.628 3.786 1.00 0.00 H new ATOM 0 HA GLN A 17 12.532 2.048 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.695 -0.406 2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.139 -0.646 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.970 -0.302 -0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.266 0.744 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.280 -0.077 0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.674 -1.797 0.356 1.00 0.00 H new ATOM 213 N ALA A 18 9.339 1.620 1.336 1.00 0.00 N ATOM 214 CA ALA A 18 8.248 2.042 0.468 1.00 0.00 C ATOM 215 C ALA A 18 8.085 3.559 0.490 1.00 0.00 C ATOM 216 O ALA A 18 8.316 4.231 -0.515 1.00 0.00 O ATOM 217 CB ALA A 18 6.950 1.365 0.883 1.00 0.00 C ATOM 0 H ALA A 18 9.045 1.087 2.155 1.00 0.00 H new ATOM 0 HA ALA A 18 8.491 1.742 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.144 1.690 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.064 0.283 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.711 1.636 1.911 1.00 0.00 H new ATOM 223 N GLU A 19 7.683 4.089 1.641 1.00 0.00 N ATOM 224 CA GLU A 19 7.488 5.527 1.791 1.00 0.00 C ATOM 225 C GLU A 19 8.588 6.304 1.072 1.00 0.00 C ATOM 226 O GLU A 19 8.353 7.395 0.550 1.00 0.00 O ATOM 227 CB GLU A 19 7.465 5.908 3.272 1.00 0.00 C ATOM 228 CG GLU A 19 6.092 5.782 3.912 1.00 0.00 C ATOM 229 CD GLU A 19 6.027 6.424 5.284 1.00 0.00 C ATOM 230 OE1 GLU A 19 7.035 6.357 6.018 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.968 6.992 5.625 1.00 0.00 O ATOM 0 H GLU A 19 7.486 3.546 2.482 1.00 0.00 H new ATOM 0 HA GLU A 19 6.530 5.787 1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.168 5.274 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.814 6.935 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.349 6.245 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.830 4.727 3.996 1.00 0.00 H new ATOM 238 N THR A 20 9.788 5.733 1.048 1.00 0.00 N ATOM 239 CA THR A 20 10.924 6.372 0.396 1.00 0.00 C ATOM 240 C THR A 20 10.918 6.104 -1.105 1.00 0.00 C ATOM 241 O THR A 20 11.162 7.006 -1.908 1.00 0.00 O ATOM 242 CB THR A 20 12.260 5.882 0.987 1.00 0.00 C ATOM 243 OG1 THR A 20 12.308 6.168 2.390 1.00 0.00 O ATOM 244 CG2 THR A 20 13.437 6.547 0.289 1.00 0.00 C ATOM 0 H THR A 20 9.998 4.830 1.472 1.00 0.00 H new ATOM 0 HA THR A 20 10.828 7.443 0.572 1.00 0.00 H new ATOM 0 HB THR A 20 12.328 4.805 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.109 5.353 2.897 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.369 6.185 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.414 6.305 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.372 7.628 0.417 1.00 0.00 H new ATOM 252 N LEU A 21 10.638 4.860 -1.478 1.00 0.00 N ATOM 253 CA LEU A 21 10.598 4.474 -2.885 1.00 0.00 C ATOM 254 C LEU A 21 9.506 5.234 -3.628 1.00 0.00 C ATOM 255 O LEU A 21 9.791 6.072 -4.484 1.00 0.00 O ATOM 256 CB LEU A 21 10.364 2.968 -3.013 1.00 0.00 C ATOM 257 CG LEU A 21 11.584 2.076 -2.777 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.161 0.625 -2.616 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.578 2.220 -3.921 1.00 0.00 C ATOM 0 H LEU A 21 10.435 4.102 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 21 11.559 4.727 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.586 2.680 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.978 2.764 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 21 12.071 2.395 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.042 0.006 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.487 0.535 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.650 0.293 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.440 1.579 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.101 1.927 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.906 3.257 -3.990 1.00 0.00 H new ATOM 271 N LEU A 22 8.254 4.940 -3.293 1.00 0.00 N ATOM 272 CA LEU A 22 7.118 5.599 -3.928 1.00 0.00 C ATOM 273 C LEU A 22 7.360 7.099 -4.057 1.00 0.00 C ATOM 274 O LEU A 22 7.189 7.675 -5.131 1.00 0.00 O ATOM 275 CB LEU A 22 5.842 5.344 -3.125 1.00 0.00 C ATOM 276 CG LEU A 22 5.336 3.900 -3.108 1.00 0.00 C ATOM 277 CD1 LEU A 22 5.945 3.135 -1.943 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.817 3.868 -3.034 1.00 0.00 C ATOM 0 H LEU A 22 8.000 4.250 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 22 7.000 5.182 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.015 5.659 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.052 5.980 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 22 5.645 3.416 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.574 2.110 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.031 3.128 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.668 3.618 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.475 2.833 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.486 4.369 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.400 4.379 -3.902 1.00 0.00 H new ATOM 290 N GLN A 23 7.760 7.726 -2.955 1.00 0.00 N ATOM 291 CA GLN A 23 8.027 9.159 -2.945 1.00 0.00 C ATOM 292 C GLN A 23 9.131 9.514 -3.937 1.00 0.00 C ATOM 293 O GLN A 23 9.151 10.612 -4.490 1.00 0.00 O ATOM 294 CB GLN A 23 8.421 9.617 -1.541 1.00 0.00 C ATOM 295 CG GLN A 23 7.282 9.547 -0.536 1.00 0.00 C ATOM 296 CD GLN A 23 7.734 9.840 0.881 1.00 0.00 C ATOM 297 OE1 GLN A 23 8.896 9.633 1.229 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.815 10.326 1.707 1.00 0.00 N ATOM 0 H GLN A 23 7.906 7.264 -2.058 1.00 0.00 H new ATOM 0 HA GLN A 23 7.114 9.674 -3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.247 9.001 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.787 10.642 -1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.507 10.259 -0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.832 8.555 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.863 10.482 1.376 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.061 10.543 2.673 1.00 0.00 H new ATOM 307 N ALA A 24 10.047 8.575 -4.155 1.00 0.00 N ATOM 308 CA ALA A 24 11.153 8.789 -5.080 1.00 0.00 C ATOM 309 C ALA A 24 10.648 8.961 -6.508 1.00 0.00 C ATOM 310 O ALA A 24 11.059 9.880 -7.217 1.00 0.00 O ATOM 311 CB ALA A 24 12.136 7.630 -5.002 1.00 0.00 C ATOM 0 H ALA A 24 10.045 7.660 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 24 11.665 9.707 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.957 7.802 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.529 7.554 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.627 6.703 -5.264 1.00 0.00 H new ATOM 317 N LYS A 25 9.755 8.072 -6.927 1.00 0.00 N ATOM 318 CA LYS A 25 9.192 8.124 -8.272 1.00 0.00 C ATOM 319 C LYS A 25 8.428 9.426 -8.490 1.00 0.00 C ATOM 320 O LYS A 25 8.599 10.093 -9.510 1.00 0.00 O ATOM 321 CB LYS A 25 8.264 6.931 -8.506 1.00 0.00 C ATOM 322 CG LYS A 25 7.844 6.762 -9.956 1.00 0.00 C ATOM 323 CD LYS A 25 7.534 5.310 -10.280 1.00 0.00 C ATOM 324 CE LYS A 25 7.119 5.141 -11.734 1.00 0.00 C ATOM 325 NZ LYS A 25 8.185 5.591 -12.671 1.00 0.00 N ATOM 0 H LYS A 25 9.404 7.305 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 25 10.015 8.081 -8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.764 6.022 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.373 7.048 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.966 7.376 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.639 7.120 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.411 4.695 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.736 4.953 -9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.886 4.094 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.208 5.710 -11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.981 5.234 -13.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.215 6.630 -12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.105 5.224 -12.353 1.00 0.00 H new ATOM 339 N GLY A 26 7.588 9.784 -7.525 1.00 0.00 N ATOM 340 CA GLY A 26 6.811 11.005 -7.631 1.00 0.00 C ATOM 341 C GLY A 26 5.510 10.803 -8.381 1.00 0.00 C ATOM 342 O GLY A 26 4.940 11.754 -8.915 1.00 0.00 O ATOM 0 H GLY A 26 7.431 9.250 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.595 11.382 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.404 11.766 -8.138 1.00 0.00 H new ATOM 346 N GLU A 27 5.040 9.560 -8.423 1.00 0.00 N ATOM 347 CA GLU A 27 3.799 9.237 -9.116 1.00 0.00 C ATOM 348 C GLU A 27 2.653 9.058 -8.125 1.00 0.00 C ATOM 349 O GLU A 27 2.677 8.181 -7.261 1.00 0.00 O ATOM 350 CB GLU A 27 3.971 7.964 -9.948 1.00 0.00 C ATOM 351 CG GLU A 27 4.686 8.192 -11.270 1.00 0.00 C ATOM 352 CD GLU A 27 3.957 9.176 -12.165 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.766 9.445 -11.904 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.578 9.676 -13.127 1.00 0.00 O ATOM 0 H GLU A 27 5.500 8.761 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 27 3.556 10.067 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.529 7.231 -9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.989 7.534 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.693 8.561 -11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.790 7.240 -11.791 1.00 0.00 H new ATOM 361 N PRO A 28 1.624 9.909 -8.251 1.00 0.00 N ATOM 362 CA PRO A 28 0.449 9.867 -7.376 1.00 0.00 C ATOM 363 C PRO A 28 -0.413 8.635 -7.624 1.00 0.00 C ATOM 364 O PRO A 28 -0.471 8.119 -8.741 1.00 0.00 O ATOM 365 CB PRO A 28 -0.317 11.139 -7.748 1.00 0.00 C ATOM 366 CG PRO A 28 0.101 11.437 -9.147 1.00 0.00 C ATOM 367 CD PRO A 28 1.528 10.979 -9.259 1.00 0.00 C ATOM 0 HA PRO A 28 0.727 9.813 -6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.394 10.987 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.069 11.961 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.534 10.915 -9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.015 12.502 -9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.754 10.610 -10.259 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.227 11.789 -9.053 1.00 0.00 H new ATOM 375 N TRP A 29 -1.083 8.167 -6.576 1.00 0.00 N ATOM 376 CA TRP A 29 -1.944 6.994 -6.681 1.00 0.00 C ATOM 377 C TRP A 29 -1.134 5.755 -7.046 1.00 0.00 C ATOM 378 O TRP A 29 -1.588 4.907 -7.815 1.00 0.00 O ATOM 379 CB TRP A 29 -3.037 7.229 -7.724 1.00 0.00 C ATOM 380 CG TRP A 29 -3.791 8.508 -7.517 1.00 0.00 C ATOM 381 CD1 TRP A 29 -4.045 9.471 -8.452 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.387 8.963 -6.297 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.763 10.497 -7.887 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.986 10.210 -6.566 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.474 8.438 -5.005 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.661 10.937 -5.589 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.144 9.162 -4.036 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.731 10.399 -4.332 1.00 0.00 C ATOM 0 H TRP A 29 -1.047 8.582 -5.645 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.409 6.828 -5.709 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.586 7.238 -8.716 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.738 6.395 -7.700 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.728 9.432 -9.484 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.079 11.337 -8.372 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.026 7.484 -4.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.113 11.891 -5.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.216 8.767 -3.033 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.249 10.939 -3.553 1.00 0.00 H new ATOM 399 N THR A 30 0.069 5.655 -6.490 1.00 0.00 N ATOM 400 CA THR A 30 0.943 4.520 -6.758 1.00 0.00 C ATOM 401 C THR A 30 0.903 3.513 -5.614 1.00 0.00 C ATOM 402 O THR A 30 1.345 3.803 -4.503 1.00 0.00 O ATOM 403 CB THR A 30 2.399 4.972 -6.979 1.00 0.00 C ATOM 404 OG1 THR A 30 2.479 5.827 -8.124 1.00 0.00 O ATOM 405 CG2 THR A 30 3.315 3.772 -7.171 1.00 0.00 C ATOM 0 H THR A 30 0.460 6.347 -5.851 1.00 0.00 H new ATOM 0 HA THR A 30 0.576 4.046 -7.668 1.00 0.00 H new ATOM 0 HB THR A 30 2.724 5.520 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.939 6.657 -7.881 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.338 4.116 -7.325 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.275 3.138 -6.285 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.989 3.201 -8.040 1.00 0.00 H new ATOM 413 N PHE A 31 0.373 2.327 -5.893 1.00 0.00 N ATOM 414 CA PHE A 31 0.274 1.277 -4.887 1.00 0.00 C ATOM 415 C PHE A 31 1.315 0.188 -5.134 1.00 0.00 C ATOM 416 O PHE A 31 1.708 -0.064 -6.274 1.00 0.00 O ATOM 417 CB PHE A 31 -1.128 0.668 -4.890 1.00 0.00 C ATOM 418 CG PHE A 31 -1.275 -0.496 -5.828 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.472 -0.290 -7.184 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.216 -1.797 -5.355 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.606 -1.359 -8.051 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.348 -2.870 -6.217 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.545 -2.649 -7.566 1.00 0.00 C ATOM 0 H PHE A 31 0.005 2.069 -6.809 1.00 0.00 H new ATOM 0 HA PHE A 31 0.465 1.724 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.376 0.343 -3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.849 1.438 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.522 0.718 -7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.065 -1.975 -4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.758 -1.184 -9.106 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.297 -3.879 -5.836 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.651 -3.486 -8.241 1.00 0.00 H new ATOM 433 N LEU A 32 1.759 -0.453 -4.059 1.00 0.00 N ATOM 434 CA LEU A 32 2.754 -1.514 -4.157 1.00 0.00 C ATOM 435 C LEU A 32 2.509 -2.589 -3.103 1.00 0.00 C ATOM 436 O LEU A 32 2.253 -2.286 -1.939 1.00 0.00 O ATOM 437 CB LEU A 32 4.161 -0.936 -3.994 1.00 0.00 C ATOM 438 CG LEU A 32 4.692 -0.853 -2.563 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.224 -2.205 -2.112 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.775 0.210 -2.457 1.00 0.00 C ATOM 0 H LEU A 32 1.445 -0.256 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 32 2.667 -1.971 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.851 -1.542 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.172 0.066 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 32 3.869 -0.572 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.598 -2.127 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.422 -2.942 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.034 -2.516 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.141 0.255 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.598 -0.041 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.362 1.179 -2.738 1.00 0.00 H new ATOM 452 N VAL A 33 2.592 -3.849 -3.521 1.00 0.00 N ATOM 453 CA VAL A 33 2.383 -4.971 -2.612 1.00 0.00 C ATOM 454 C VAL A 33 3.710 -5.534 -2.121 1.00 0.00 C ATOM 455 O VAL A 33 4.613 -5.808 -2.913 1.00 0.00 O ATOM 456 CB VAL A 33 1.578 -6.097 -3.289 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.392 -7.267 -2.334 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.235 -5.575 -3.773 1.00 0.00 C ATOM 0 H VAL A 33 2.802 -4.118 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 33 1.817 -4.590 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 33 2.137 -6.450 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.821 -8.053 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.367 -7.656 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.854 -6.931 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.320 -6.384 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.334 -5.194 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.395 -4.772 -4.493 1.00 0.00 H new ATOM 468 N ARG A 34 3.824 -5.706 -0.808 1.00 0.00 N ATOM 469 CA ARG A 34 5.043 -6.236 -0.209 1.00 0.00 C ATOM 470 C ARG A 34 4.718 -7.120 0.993 1.00 0.00 C ATOM 471 O ARG A 34 3.551 -7.362 1.299 1.00 0.00 O ATOM 472 CB ARG A 34 5.965 -5.094 0.220 1.00 0.00 C ATOM 473 CG ARG A 34 5.312 -4.108 1.174 1.00 0.00 C ATOM 474 CD ARG A 34 6.268 -2.994 1.565 1.00 0.00 C ATOM 475 NE ARG A 34 5.596 -1.927 2.303 1.00 0.00 N ATOM 476 CZ ARG A 34 5.222 -2.036 3.574 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.456 -3.155 4.243 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.614 -1.021 4.175 1.00 0.00 N ATOM 0 H ARG A 34 3.087 -5.486 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 34 5.552 -6.842 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.851 -5.514 0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.303 -4.558 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.425 -3.680 0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.978 -4.633 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.073 -3.405 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.728 -2.580 0.668 1.00 0.00 H new ATOM 0 HE ARG A 34 5.403 -1.051 1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.924 -3.936 3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.168 -3.236 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.434 -0.158 3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.327 -1.104 5.150 1.00 0.00 H new ATOM 492 N GLU A 35 5.759 -7.599 1.667 1.00 0.00 N ATOM 493 CA GLU A 35 5.583 -8.456 2.833 1.00 0.00 C ATOM 494 C GLU A 35 5.575 -7.633 4.119 1.00 0.00 C ATOM 495 O GLU A 35 6.050 -6.496 4.144 1.00 0.00 O ATOM 496 CB GLU A 35 6.695 -9.506 2.895 1.00 0.00 C ATOM 497 CG GLU A 35 6.387 -10.765 2.103 1.00 0.00 C ATOM 498 CD GLU A 35 5.657 -11.808 2.928 1.00 0.00 C ATOM 499 OE1 GLU A 35 4.812 -11.420 3.762 1.00 0.00 O ATOM 500 OE2 GLU A 35 5.931 -13.012 2.741 1.00 0.00 O ATOM 0 H GLU A 35 6.732 -7.408 1.426 1.00 0.00 H new ATOM 0 HA GLU A 35 4.621 -8.960 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.619 -9.067 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.871 -9.776 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.782 -10.505 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.318 -11.190 1.727 1.00 0.00 H new ATOM 507 N SER A 36 5.032 -8.214 5.183 1.00 0.00 N ATOM 508 CA SER A 36 4.957 -7.532 6.470 1.00 0.00 C ATOM 509 C SER A 36 6.127 -7.931 7.365 1.00 0.00 C ATOM 510 O SER A 36 6.821 -8.913 7.097 1.00 0.00 O ATOM 511 CB SER A 36 3.634 -7.858 7.167 1.00 0.00 C ATOM 512 OG SER A 36 3.290 -6.851 8.104 1.00 0.00 O ATOM 0 H SER A 36 4.638 -9.155 5.180 1.00 0.00 H new ATOM 0 HA SER A 36 5.010 -6.459 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.842 -7.954 6.424 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.714 -8.819 7.674 1.00 0.00 H new ATOM 0 HG SER A 36 2.440 -7.081 8.535 1.00 0.00 H new ATOM 518 N LEU A 37 6.340 -7.162 8.427 1.00 0.00 N ATOM 519 CA LEU A 37 7.427 -7.434 9.362 1.00 0.00 C ATOM 520 C LEU A 37 6.881 -7.862 10.721 1.00 0.00 C ATOM 521 O LEU A 37 7.065 -9.003 11.144 1.00 0.00 O ATOM 522 CB LEU A 37 8.310 -6.196 9.521 1.00 0.00 C ATOM 523 CG LEU A 37 8.818 -5.562 8.226 1.00 0.00 C ATOM 524 CD1 LEU A 37 9.545 -4.259 8.518 1.00 0.00 C ATOM 525 CD2 LEU A 37 9.728 -6.528 7.481 1.00 0.00 C ATOM 0 H LEU A 37 5.775 -6.346 8.662 1.00 0.00 H new ATOM 0 HA LEU A 37 8.026 -8.250 8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.749 -5.443 10.075 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.171 -6.465 10.132 1.00 0.00 H new ATOM 0 HG LEU A 37 7.960 -5.340 7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.899 -3.823 7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.863 -3.564 9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.395 -4.455 9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.080 -6.060 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.582 -6.782 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.175 -7.435 7.238 1.00 0.00 H new ATOM 537 N SER A 38 6.207 -6.938 11.399 1.00 0.00 N ATOM 538 CA SER A 38 5.636 -7.219 12.712 1.00 0.00 C ATOM 539 C SER A 38 4.743 -8.456 12.662 1.00 0.00 C ATOM 540 O SER A 38 4.759 -9.281 13.574 1.00 0.00 O ATOM 541 CB SER A 38 4.833 -6.015 13.209 1.00 0.00 C ATOM 542 OG SER A 38 4.067 -6.352 14.354 1.00 0.00 O ATOM 0 H SER A 38 6.043 -5.990 11.062 1.00 0.00 H new ATOM 0 HA SER A 38 6.455 -7.412 13.405 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.511 -5.196 13.449 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.173 -5.662 12.417 1.00 0.00 H new ATOM 0 HG SER A 38 3.564 -5.566 14.654 1.00 0.00 H new ATOM 548 N GLN A 39 3.966 -8.575 11.590 1.00 0.00 N ATOM 549 CA GLN A 39 3.066 -9.709 11.421 1.00 0.00 C ATOM 550 C GLN A 39 3.614 -10.690 10.390 1.00 0.00 C ATOM 551 O GLN A 39 3.537 -10.467 9.182 1.00 0.00 O ATOM 552 CB GLN A 39 1.678 -9.228 10.996 1.00 0.00 C ATOM 553 CG GLN A 39 0.778 -8.858 12.165 1.00 0.00 C ATOM 554 CD GLN A 39 0.209 -10.075 12.869 1.00 0.00 C ATOM 555 OE1 GLN A 39 0.982 -10.644 13.787 1.00 0.00 O flip ATOM 556 NE2 GLN A 39 -0.913 -10.499 12.591 1.00 0.00 N flip ATOM 0 H GLN A 39 3.942 -7.900 10.826 1.00 0.00 H new ATOM 0 HA GLN A 39 2.987 -10.223 12.379 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.787 -8.362 10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.195 -10.010 10.410 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.344 -8.260 12.880 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.041 -8.234 11.806 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.473 -10.031 11.879 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.282 -11.318 13.073 1.00 0.00 H new ATOM 565 N PRO A 40 4.183 -11.804 10.876 1.00 0.00 N ATOM 566 CA PRO A 40 4.755 -12.842 10.013 1.00 0.00 C ATOM 567 C PRO A 40 3.686 -13.607 9.240 1.00 0.00 C ATOM 568 O PRO A 40 2.816 -14.245 9.831 1.00 0.00 O ATOM 569 CB PRO A 40 5.468 -13.769 11.000 1.00 0.00 C ATOM 570 CG PRO A 40 4.751 -13.573 12.291 1.00 0.00 C ATOM 571 CD PRO A 40 4.310 -12.135 12.305 1.00 0.00 C ATOM 0 HA PRO A 40 5.411 -12.423 9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.418 -14.808 10.674 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.524 -13.513 11.091 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.896 -14.244 12.368 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.404 -13.789 13.137 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.364 -12.010 12.832 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.039 -11.496 12.802 1.00 0.00 H new ATOM 579 N GLY A 41 3.758 -13.538 7.914 1.00 0.00 N ATOM 580 CA GLY A 41 2.791 -14.229 7.082 1.00 0.00 C ATOM 581 C GLY A 41 1.871 -13.274 6.346 1.00 0.00 C ATOM 582 O GLY A 41 1.509 -13.513 5.194 1.00 0.00 O ATOM 0 H GLY A 41 4.469 -13.016 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.318 -14.851 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.194 -14.898 7.703 1.00 0.00 H new ATOM 586 N ASP A 42 1.491 -12.190 7.013 1.00 0.00 N ATOM 587 CA ASP A 42 0.607 -11.196 6.416 1.00 0.00 C ATOM 588 C ASP A 42 1.371 -10.307 5.440 1.00 0.00 C ATOM 589 O ASP A 42 2.575 -10.471 5.245 1.00 0.00 O ATOM 590 CB ASP A 42 -0.041 -10.339 7.505 1.00 0.00 C ATOM 591 CG ASP A 42 -0.977 -11.140 8.390 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.562 -12.215 8.871 1.00 0.00 O ATOM 593 OD2 ASP A 42 -2.123 -10.692 8.602 1.00 0.00 O ATOM 0 H ASP A 42 1.781 -11.977 7.967 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.173 -11.723 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.738 -9.887 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.594 -9.523 7.040 1.00 0.00 H new ATOM 598 N PHE A 43 0.661 -9.365 4.827 1.00 0.00 N ATOM 599 CA PHE A 43 1.272 -8.450 3.868 1.00 0.00 C ATOM 600 C PHE A 43 0.873 -7.007 4.164 1.00 0.00 C ATOM 601 O PHE A 43 0.061 -6.745 5.051 1.00 0.00 O ATOM 602 CB PHE A 43 0.861 -8.824 2.443 1.00 0.00 C ATOM 603 CG PHE A 43 1.170 -10.249 2.083 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.330 -11.276 2.482 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.302 -10.561 1.346 1.00 0.00 C ATOM 606 CE1 PHE A 43 0.612 -12.588 2.153 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.587 -11.872 1.013 1.00 0.00 C ATOM 608 CZ PHE A 43 1.743 -12.886 1.419 1.00 0.00 C ATOM 0 H PHE A 43 -0.337 -9.215 4.977 1.00 0.00 H new ATOM 0 HA PHE A 43 2.355 -8.535 3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.209 -8.652 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.369 -8.162 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.556 -11.048 3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.968 -9.772 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.051 -13.379 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.470 -12.103 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.967 -13.911 1.163 1.00 0.00 H new ATOM 618 N VAL A 44 1.451 -6.074 3.413 1.00 0.00 N ATOM 619 CA VAL A 44 1.157 -4.658 3.594 1.00 0.00 C ATOM 620 C VAL A 44 0.866 -3.983 2.258 1.00 0.00 C ATOM 621 O VAL A 44 1.565 -4.212 1.269 1.00 0.00 O ATOM 622 CB VAL A 44 2.323 -3.925 4.284 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.966 -2.468 4.531 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.693 -4.621 5.585 1.00 0.00 C ATOM 0 H VAL A 44 2.125 -6.274 2.674 1.00 0.00 H new ATOM 0 HA VAL A 44 0.274 -4.597 4.230 1.00 0.00 H new ATOM 0 HB VAL A 44 3.190 -3.954 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.802 -1.966 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.754 -1.979 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.086 -2.413 5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.518 -4.090 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.832 -4.625 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.994 -5.647 5.376 1.00 0.00 H new ATOM 634 N LEU A 45 -0.168 -3.149 2.235 1.00 0.00 N ATOM 635 CA LEU A 45 -0.551 -2.439 1.019 1.00 0.00 C ATOM 636 C LEU A 45 -0.189 -0.961 1.115 1.00 0.00 C ATOM 637 O LEU A 45 -0.877 -0.186 1.781 1.00 0.00 O ATOM 638 CB LEU A 45 -2.052 -2.594 0.767 1.00 0.00 C ATOM 639 CG LEU A 45 -2.499 -2.516 -0.693 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.239 -1.129 -1.258 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.788 -3.574 -1.524 1.00 0.00 C ATOM 0 H LEU A 45 -0.756 -2.948 3.044 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.002 -2.874 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.371 -3.554 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.576 -1.821 1.328 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.571 -2.707 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.564 -1.093 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.793 -0.390 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.173 -0.908 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.118 -3.505 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.711 -3.413 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.025 -4.564 -1.133 1.00 0.00 H new ATOM 653 N SER A 46 0.893 -0.577 0.446 1.00 0.00 N ATOM 654 CA SER A 46 1.347 0.809 0.458 1.00 0.00 C ATOM 655 C SER A 46 0.871 1.547 -0.790 1.00 0.00 C ATOM 656 O SER A 46 0.917 1.012 -1.898 1.00 0.00 O ATOM 657 CB SER A 46 2.873 0.867 0.546 1.00 0.00 C ATOM 658 OG SER A 46 3.301 2.036 1.222 1.00 0.00 O ATOM 0 H SER A 46 1.472 -1.206 -0.111 1.00 0.00 H new ATOM 0 HA SER A 46 0.920 1.298 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.244 -0.015 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.299 0.847 -0.457 1.00 0.00 H new ATOM 0 HG SER A 46 3.104 1.951 2.178 1.00 0.00 H new ATOM 664 N VAL A 47 0.412 2.780 -0.601 1.00 0.00 N ATOM 665 CA VAL A 47 -0.073 3.593 -1.710 1.00 0.00 C ATOM 666 C VAL A 47 0.299 5.060 -1.519 1.00 0.00 C ATOM 667 O VAL A 47 0.259 5.582 -0.404 1.00 0.00 O ATOM 668 CB VAL A 47 -1.601 3.479 -1.864 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.024 3.849 -3.277 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.068 2.074 -1.510 1.00 0.00 C ATOM 0 H VAL A 47 0.366 3.238 0.309 1.00 0.00 H new ATOM 0 HA VAL A 47 0.405 3.214 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.072 4.179 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.107 3.763 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.723 4.875 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.546 3.175 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.150 2.011 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.590 1.354 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.798 1.850 -0.478 1.00 0.00 H new ATOM 680 N LEU A 48 0.659 5.720 -2.614 1.00 0.00 N ATOM 681 CA LEU A 48 1.037 7.128 -2.568 1.00 0.00 C ATOM 682 C LEU A 48 -0.160 8.024 -2.871 1.00 0.00 C ATOM 683 O LEU A 48 -0.889 7.797 -3.836 1.00 0.00 O ATOM 684 CB LEU A 48 2.163 7.406 -3.567 1.00 0.00 C ATOM 685 CG LEU A 48 2.936 8.710 -3.359 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.652 8.698 -2.018 1.00 0.00 C ATOM 687 CD2 LEU A 48 3.927 8.928 -4.494 1.00 0.00 C ATOM 0 H LEU A 48 0.697 5.303 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 48 1.389 7.352 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.870 6.577 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.738 7.415 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 48 2.225 9.536 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.196 9.633 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.921 8.589 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.352 7.863 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.468 9.860 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.633 8.098 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.390 8.982 -5.441 1.00 0.00 H new ATOM 699 N SER A 49 -0.354 9.044 -2.040 1.00 0.00 N ATOM 700 CA SER A 49 -1.463 9.973 -2.217 1.00 0.00 C ATOM 701 C SER A 49 -1.066 11.124 -3.137 1.00 0.00 C ATOM 702 O SER A 49 0.102 11.273 -3.494 1.00 0.00 O ATOM 703 CB SER A 49 -1.919 10.521 -0.863 1.00 0.00 C ATOM 704 OG SER A 49 -0.954 11.405 -0.320 1.00 0.00 O ATOM 0 H SER A 49 0.243 9.247 -1.238 1.00 0.00 H new ATOM 0 HA SER A 49 -2.289 9.431 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.869 11.042 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.090 9.696 -0.172 1.00 0.00 H new ATOM 0 HG SER A 49 -0.164 10.896 -0.041 1.00 0.00 H new ATOM 710 N ASP A 50 -2.048 11.935 -3.516 1.00 0.00 N ATOM 711 CA ASP A 50 -1.802 13.074 -4.394 1.00 0.00 C ATOM 712 C ASP A 50 -1.685 14.365 -3.589 1.00 0.00 C ATOM 713 O ASP A 50 -2.006 15.445 -4.084 1.00 0.00 O ATOM 714 CB ASP A 50 -2.924 13.201 -5.426 1.00 0.00 C ATOM 715 CG ASP A 50 -4.023 14.142 -4.973 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.431 14.057 -3.796 1.00 0.00 O ATOM 717 OD2 ASP A 50 -4.474 14.965 -5.796 1.00 0.00 O ATOM 0 H ASP A 50 -3.021 11.825 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.859 12.904 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.509 13.559 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.349 12.216 -5.619 1.00 0.00 H new ATOM 722 N GLN A 51 -1.226 14.242 -2.348 1.00 0.00 N ATOM 723 CA GLN A 51 -1.070 15.400 -1.475 1.00 0.00 C ATOM 724 C GLN A 51 0.217 15.298 -0.661 1.00 0.00 C ATOM 725 O GLN A 51 0.543 14.253 -0.099 1.00 0.00 O ATOM 726 CB GLN A 51 -2.272 15.524 -0.537 1.00 0.00 C ATOM 727 CG GLN A 51 -3.597 15.685 -1.264 1.00 0.00 C ATOM 728 CD GLN A 51 -4.612 16.472 -0.459 1.00 0.00 C ATOM 729 OE1 GLN A 51 -4.937 16.113 0.672 1.00 0.00 O ATOM 730 NE2 GLN A 51 -5.120 17.552 -1.041 1.00 0.00 N ATOM 0 H GLN A 51 -0.956 13.354 -1.925 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.013 16.291 -2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.320 14.639 0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.122 16.380 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.426 16.187 -2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.004 14.700 -1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.822 17.813 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.809 18.121 -0.548 1.00 0.00 H new ATOM 739 N PRO A 52 0.966 16.409 -0.596 1.00 0.00 N ATOM 740 CA PRO A 52 2.228 16.471 0.146 1.00 0.00 C ATOM 741 C PRO A 52 2.017 16.406 1.655 1.00 0.00 C ATOM 742 O PRO A 52 1.032 16.928 2.178 1.00 0.00 O ATOM 743 CB PRO A 52 2.809 17.828 -0.255 1.00 0.00 C ATOM 744 CG PRO A 52 1.627 18.649 -0.638 1.00 0.00 C ATOM 745 CD PRO A 52 0.637 17.691 -1.241 1.00 0.00 C ATOM 0 HA PRO A 52 2.879 15.628 -0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.356 18.283 0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.508 17.729 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.203 19.153 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.905 19.424 -1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.390 17.992 -1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.742 17.634 -2.324 1.00 0.00 H new ATOM 753 N LYS A 53 2.948 15.762 2.351 1.00 0.00 N ATOM 754 CA LYS A 53 2.865 15.630 3.801 1.00 0.00 C ATOM 755 C LYS A 53 3.026 16.987 4.481 1.00 0.00 C ATOM 756 O LYS A 53 2.486 17.218 5.562 1.00 0.00 O ATOM 757 CB LYS A 53 3.938 14.664 4.308 1.00 0.00 C ATOM 758 CG LYS A 53 5.350 15.054 3.903 1.00 0.00 C ATOM 759 CD LYS A 53 6.363 14.006 4.331 1.00 0.00 C ATOM 760 CE LYS A 53 6.409 13.862 5.844 1.00 0.00 C ATOM 761 NZ LYS A 53 7.425 12.861 6.275 1.00 0.00 N ATOM 0 H LYS A 53 3.769 15.323 1.934 1.00 0.00 H new ATOM 0 HA LYS A 53 1.881 15.233 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.883 14.611 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.723 13.665 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.396 15.186 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.606 16.014 4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.108 13.047 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.351 14.280 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.637 14.828 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.427 13.564 6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.426 12.792 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.193 11.933 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.366 13.158 5.947 1.00 0.00 H new ATOM 775 N ALA A 54 3.772 17.880 3.838 1.00 0.00 N ATOM 776 CA ALA A 54 4.000 19.215 4.380 1.00 0.00 C ATOM 777 C ALA A 54 3.522 20.290 3.410 1.00 0.00 C ATOM 778 O ALA A 54 2.703 21.137 3.761 1.00 0.00 O ATOM 779 CB ALA A 54 5.475 19.409 4.700 1.00 0.00 C ATOM 0 H ALA A 54 4.228 17.704 2.943 1.00 0.00 H new ATOM 0 HA ALA A 54 3.424 19.310 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.631 20.409 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.788 18.668 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.064 19.289 3.790 1.00 0.00 H new ATOM 785 N GLY A 55 4.040 20.249 2.185 1.00 0.00 N ATOM 786 CA GLY A 55 3.655 21.226 1.184 1.00 0.00 C ATOM 787 C GLY A 55 4.850 21.840 0.483 1.00 0.00 C ATOM 788 O GLY A 55 4.996 21.748 -0.736 1.00 0.00 O ATOM 0 H GLY A 55 4.719 19.557 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.010 20.750 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.070 22.015 1.657 1.00 0.00 H new ATOM 792 N PRO A 56 5.731 22.486 1.261 1.00 0.00 N ATOM 793 CA PRO A 56 6.935 23.131 0.729 1.00 0.00 C ATOM 794 C PRO A 56 7.964 22.120 0.235 1.00 0.00 C ATOM 795 O PRO A 56 8.930 21.812 0.932 1.00 0.00 O ATOM 796 CB PRO A 56 7.481 23.908 1.929 1.00 0.00 C ATOM 797 CG PRO A 56 6.965 23.177 3.121 1.00 0.00 C ATOM 798 CD PRO A 56 5.620 22.635 2.722 1.00 0.00 C ATOM 0 HA PRO A 56 6.714 23.757 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.571 23.933 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.138 24.943 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.641 22.372 3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.879 23.842 3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.411 21.682 3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.815 23.317 2.996 1.00 0.00 H new ATOM 806 N GLY A 57 7.750 21.608 -0.973 1.00 0.00 N ATOM 807 CA GLY A 57 8.669 20.637 -1.540 1.00 0.00 C ATOM 808 C GLY A 57 8.780 19.383 -0.696 1.00 0.00 C ATOM 809 O GLY A 57 9.880 18.968 -0.331 1.00 0.00 O ATOM 0 H GLY A 57 6.958 21.848 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.336 20.368 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.655 21.091 -1.642 1.00 0.00 H new ATOM 813 N SER A 58 7.638 18.779 -0.384 1.00 0.00 N ATOM 814 CA SER A 58 7.612 17.568 0.428 1.00 0.00 C ATOM 815 C SER A 58 6.969 16.414 -0.337 1.00 0.00 C ATOM 816 O SER A 58 6.130 16.611 -1.216 1.00 0.00 O ATOM 817 CB SER A 58 6.850 17.817 1.732 1.00 0.00 C ATOM 818 OG SER A 58 5.463 17.978 1.488 1.00 0.00 O ATOM 0 H SER A 58 6.719 19.108 -0.681 1.00 0.00 H new ATOM 0 HA SER A 58 8.641 17.297 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.008 16.982 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.242 18.708 2.222 1.00 0.00 H new ATOM 0 HG SER A 58 5.047 17.098 1.373 1.00 0.00 H new ATOM 824 N PRO A 59 7.372 15.181 0.003 1.00 0.00 N ATOM 825 CA PRO A 59 6.848 13.971 -0.638 1.00 0.00 C ATOM 826 C PRO A 59 5.393 13.704 -0.271 1.00 0.00 C ATOM 827 O PRO A 59 4.966 13.972 0.854 1.00 0.00 O ATOM 828 CB PRO A 59 7.750 12.862 -0.092 1.00 0.00 C ATOM 829 CG PRO A 59 8.246 13.384 1.212 1.00 0.00 C ATOM 830 CD PRO A 59 8.369 14.873 1.043 1.00 0.00 C ATOM 0 HA PRO A 59 6.856 14.049 -1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.198 11.931 0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.574 12.651 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.555 13.139 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.207 12.940 1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.157 15.402 1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.374 15.161 0.734 1.00 0.00 H new ATOM 838 N LEU A 60 4.634 13.175 -1.224 1.00 0.00 N ATOM 839 CA LEU A 60 3.225 12.871 -1.001 1.00 0.00 C ATOM 840 C LEU A 60 3.061 11.846 0.117 1.00 0.00 C ATOM 841 O LEU A 60 3.795 10.859 0.182 1.00 0.00 O ATOM 842 CB LEU A 60 2.586 12.345 -2.287 1.00 0.00 C ATOM 843 CG LEU A 60 2.658 13.274 -3.500 1.00 0.00 C ATOM 844 CD1 LEU A 60 2.549 12.476 -4.791 1.00 0.00 C ATOM 845 CD2 LEU A 60 1.563 14.329 -3.429 1.00 0.00 C ATOM 0 H LEU A 60 4.971 12.947 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 60 2.723 13.791 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.065 11.402 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.538 12.125 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 60 3.624 13.780 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.602 13.154 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.368 11.759 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.598 11.943 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.629 14.981 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.588 13.841 -3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.686 14.921 -2.522 1.00 0.00 H new ATOM 857 N ARG A 61 2.091 12.086 0.995 1.00 0.00 N ATOM 858 CA ARG A 61 1.830 11.184 2.109 1.00 0.00 C ATOM 859 C ARG A 61 1.519 9.777 1.608 1.00 0.00 C ATOM 860 O ARG A 61 0.901 9.602 0.559 1.00 0.00 O ATOM 861 CB ARG A 61 0.663 11.706 2.952 1.00 0.00 C ATOM 862 CG ARG A 61 0.383 10.868 4.189 1.00 0.00 C ATOM 863 CD ARG A 61 -0.252 11.699 5.293 1.00 0.00 C ATOM 864 NE ARG A 61 -1.710 11.704 5.202 1.00 0.00 N ATOM 865 CZ ARG A 61 -2.500 12.282 6.101 1.00 0.00 C ATOM 866 NH1 ARG A 61 -1.975 12.899 7.150 1.00 0.00 N ATOM 867 NH2 ARG A 61 -3.818 12.244 5.949 1.00 0.00 N ATOM 0 H ARG A 61 1.474 12.897 0.955 1.00 0.00 H new ATOM 0 HA ARG A 61 2.727 11.141 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.876 12.730 3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.235 11.738 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.278 10.042 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.313 10.430 4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.050 11.305 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.119 12.722 5.236 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.145 11.239 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.962 12.931 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.584 13.342 7.838 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.225 11.771 5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.424 12.688 6.639 1.00 0.00 H new ATOM 881 N VAL A 62 1.954 8.775 2.367 1.00 0.00 N ATOM 882 CA VAL A 62 1.723 7.382 2.000 1.00 0.00 C ATOM 883 C VAL A 62 0.733 6.722 2.952 1.00 0.00 C ATOM 884 O VAL A 62 0.553 7.165 4.087 1.00 0.00 O ATOM 885 CB VAL A 62 3.036 6.577 2.002 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.791 5.156 1.515 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.086 7.269 1.146 1.00 0.00 C ATOM 0 H VAL A 62 2.468 8.902 3.239 1.00 0.00 H new ATOM 0 HA VAL A 62 1.308 7.383 0.992 1.00 0.00 H new ATOM 0 HB VAL A 62 3.410 6.526 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.730 4.602 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.074 4.665 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.394 5.183 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.007 6.687 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.723 7.352 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.281 8.265 1.544 1.00 0.00 H new ATOM 897 N THR A 63 0.090 5.657 2.483 1.00 0.00 N ATOM 898 CA THR A 63 -0.883 4.934 3.291 1.00 0.00 C ATOM 899 C THR A 63 -0.549 3.448 3.356 1.00 0.00 C ATOM 900 O THR A 63 -0.488 2.769 2.331 1.00 0.00 O ATOM 901 CB THR A 63 -2.310 5.103 2.737 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.574 6.486 2.474 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.340 4.563 3.718 1.00 0.00 C ATOM 0 H THR A 63 0.226 5.276 1.547 1.00 0.00 H new ATOM 0 HA THR A 63 -0.837 5.358 4.294 1.00 0.00 H new ATOM 0 HB THR A 63 -2.384 4.537 1.809 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.483 6.584 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.340 4.694 3.304 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.155 3.503 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.264 5.105 4.661 1.00 0.00 H new ATOM 911 N HIS A 64 -0.333 2.947 4.568 1.00 0.00 N ATOM 912 CA HIS A 64 -0.006 1.540 4.768 1.00 0.00 C ATOM 913 C HIS A 64 -1.201 0.779 5.334 1.00 0.00 C ATOM 914 O HIS A 64 -1.515 0.892 6.520 1.00 0.00 O ATOM 915 CB HIS A 64 1.194 1.401 5.706 1.00 0.00 C ATOM 916 CG HIS A 64 2.342 2.292 5.344 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.251 1.984 4.352 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.728 3.488 5.847 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.145 2.952 4.263 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.851 3.877 5.158 1.00 0.00 N ATOM 0 H HIS A 64 -0.379 3.495 5.427 1.00 0.00 H new ATOM 0 HA HIS A 64 0.249 1.111 3.799 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.877 1.626 6.724 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.532 0.365 5.699 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.235 1.141 3.778 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.243 4.035 6.642 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.976 2.982 3.574 1.00 0.00 H new ATOM 929 N ILE A 65 -1.862 0.005 4.482 1.00 0.00 N ATOM 930 CA ILE A 65 -3.022 -0.774 4.898 1.00 0.00 C ATOM 931 C ILE A 65 -2.653 -2.238 5.108 1.00 0.00 C ATOM 932 O ILE A 65 -2.404 -2.971 4.150 1.00 0.00 O ATOM 933 CB ILE A 65 -4.161 -0.685 3.866 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.359 0.764 3.416 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.449 -1.246 4.448 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.913 0.891 2.014 1.00 0.00 C ATOM 0 H ILE A 65 -1.614 -0.100 3.498 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.366 -0.349 5.841 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.890 -1.282 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.034 1.263 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.404 1.286 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.244 -1.176 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.300 -2.290 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.727 -0.675 5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.027 1.945 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.228 0.421 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.884 0.398 1.960 1.00 0.00 H new ATOM 948 N LYS A 66 -2.623 -2.661 6.367 1.00 0.00 N ATOM 949 CA LYS A 66 -2.289 -4.040 6.704 1.00 0.00 C ATOM 950 C LYS A 66 -3.168 -5.018 5.932 1.00 0.00 C ATOM 951 O LYS A 66 -4.395 -4.965 6.015 1.00 0.00 O ATOM 952 CB LYS A 66 -2.450 -4.272 8.208 1.00 0.00 C ATOM 953 CG LYS A 66 -1.339 -3.657 9.041 1.00 0.00 C ATOM 954 CD LYS A 66 -1.090 -4.450 10.313 1.00 0.00 C ATOM 955 CE LYS A 66 0.259 -4.108 10.928 1.00 0.00 C ATOM 956 NZ LYS A 66 0.353 -4.564 12.343 1.00 0.00 N ATOM 0 H LYS A 66 -2.826 -2.068 7.172 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.250 -4.214 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.406 -3.859 8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.485 -5.344 8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.423 -3.615 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.601 -2.630 9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.882 -4.243 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.130 -5.517 10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.053 -4.572 10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.417 -3.030 10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.286 -4.313 12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.389 -4.102 12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.228 -5.596 12.384 1.00 0.00 H new ATOM 970 N VAL A 67 -2.532 -5.911 5.179 1.00 0.00 N ATOM 971 CA VAL A 67 -3.257 -6.903 4.394 1.00 0.00 C ATOM 972 C VAL A 67 -3.245 -8.264 5.080 1.00 0.00 C ATOM 973 O VAL A 67 -2.184 -8.839 5.321 1.00 0.00 O ATOM 974 CB VAL A 67 -2.659 -7.047 2.982 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.344 -8.173 2.223 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.770 -5.735 2.220 1.00 0.00 C ATOM 0 H VAL A 67 -1.517 -5.967 5.096 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.285 -6.551 4.311 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.602 -7.297 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.908 -8.259 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.207 -9.111 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.409 -7.957 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.343 -5.855 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.819 -5.453 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.228 -4.956 2.756 1.00 0.00 H new ATOM 986 N MET A 68 -4.432 -8.774 5.393 1.00 0.00 N ATOM 987 CA MET A 68 -4.557 -10.070 6.051 1.00 0.00 C ATOM 988 C MET A 68 -4.878 -11.165 5.038 1.00 0.00 C ATOM 989 O MET A 68 -5.854 -11.068 4.294 1.00 0.00 O ATOM 990 CB MET A 68 -5.645 -10.016 7.124 1.00 0.00 C ATOM 991 CG MET A 68 -5.258 -9.195 8.343 1.00 0.00 C ATOM 992 SD MET A 68 -6.687 -8.495 9.192 1.00 0.00 S ATOM 993 CE MET A 68 -6.834 -6.916 8.359 1.00 0.00 C ATOM 0 H MET A 68 -5.320 -8.310 5.202 1.00 0.00 H new ATOM 0 HA MET A 68 -3.603 -10.305 6.522 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.553 -9.598 6.688 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.882 -11.032 7.441 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.700 -9.823 9.037 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.592 -8.389 8.036 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.459 -6.248 8.952 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.845 -6.475 8.238 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.288 -7.063 7.379 1.00 0.00 H new ATOM 1003 N CYS A 69 -4.051 -12.204 5.016 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.246 -13.316 4.094 1.00 0.00 C ATOM 1005 C CYS A 69 -4.766 -14.548 4.830 1.00 0.00 C ATOM 1006 O CYS A 69 -4.141 -15.028 5.774 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.936 -13.651 3.379 1.00 0.00 C ATOM 1008 SG CYS A 69 -3.026 -15.108 2.314 1.00 0.00 S ATOM 0 H CYS A 69 -3.239 -12.299 5.626 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.988 -13.015 3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.633 -12.793 2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -2.157 -13.808 4.125 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.139 -15.087 1.643 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.916 -15.051 4.390 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.521 -16.225 5.010 1.00 0.00 C ATOM 1016 C GLU A 70 -6.100 -17.500 4.286 1.00 0.00 C ATOM 1017 O GLU A 70 -6.938 -18.317 3.907 1.00 0.00 O ATOM 1018 CB GLU A 70 -8.046 -16.102 5.005 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.576 -15.073 5.989 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.074 -15.303 7.401 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -8.501 -16.295 8.028 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -7.255 -14.490 7.880 1.00 0.00 O ATOM 0 H GLU A 70 -6.446 -14.665 3.609 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.171 -16.281 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.378 -15.837 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.481 -17.074 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.281 -14.076 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.666 -15.100 5.986 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.794 -17.662 4.094 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.284 -18.839 3.415 1.00 0.00 C ATOM 1031 C GLY A 71 -4.971 -19.084 2.086 1.00 0.00 C ATOM 1032 O GLY A 71 -5.804 -19.981 1.967 1.00 0.00 O ATOM 0 H GLY A 71 -4.080 -16.999 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.212 -18.725 3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.417 -19.711 4.056 1.00 0.00 H new ATOM 1036 N GLY A 72 -4.621 -18.283 1.084 1.00 0.00 N ATOM 1037 CA GLY A 72 -5.220 -18.433 -0.228 1.00 0.00 C ATOM 1038 C GLY A 72 -5.987 -17.199 -0.660 1.00 0.00 C ATOM 1039 O GLY A 72 -6.181 -16.966 -1.853 1.00 0.00 O ATOM 0 H GLY A 72 -3.933 -17.533 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.439 -18.646 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.892 -19.291 -0.221 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.425 -16.406 0.313 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.177 -15.191 0.027 1.00 0.00 C ATOM 1045 C ARG A 73 -6.553 -13.987 0.727 1.00 0.00 C ATOM 1046 O ARG A 73 -5.588 -14.126 1.478 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.634 -15.352 0.468 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.336 -16.540 -0.169 1.00 0.00 C ATOM 1049 CD ARG A 73 -10.697 -16.786 0.461 1.00 0.00 C ATOM 1050 NE ARG A 73 -11.761 -16.065 -0.234 1.00 0.00 N ATOM 1051 CZ ARG A 73 -13.043 -16.404 -0.167 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -13.420 -17.447 0.560 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -13.952 -15.699 -0.828 1.00 0.00 N ATOM 0 H ARG A 73 -6.272 -16.584 1.306 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.146 -15.020 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.667 -15.460 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.182 -14.442 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.455 -16.363 -1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.717 -17.431 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.915 -17.854 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.673 -16.478 1.506 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.505 -15.257 -0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.724 -17.991 1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.406 -17.705 0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.666 -14.896 -1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.937 -15.960 -0.776 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.109 -12.808 0.474 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.605 -11.579 1.077 1.00 0.00 C ATOM 1069 C TYR A 74 -7.754 -10.680 1.520 1.00 0.00 C ATOM 1070 O TYR A 74 -8.821 -10.663 0.906 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.709 -10.833 0.089 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.485 -11.615 -0.330 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.319 -11.574 0.425 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.494 -12.394 -1.480 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.198 -12.287 0.045 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.379 -13.112 -1.866 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.232 -13.055 -1.100 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.119 -13.767 -1.480 1.00 0.00 O ATOM 0 H TYR A 74 -7.909 -12.677 -0.145 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.019 -11.848 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.291 -10.583 -0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.392 -9.892 0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.289 -10.975 1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.389 -12.439 -2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.299 -12.243 0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.404 -13.715 -2.762 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.310 -14.256 -2.308 1.00 0.00 H new ATOM 1088 N THR A 75 -7.529 -9.928 2.594 1.00 0.00 N ATOM 1089 CA THR A 75 -8.543 -9.025 3.122 1.00 0.00 C ATOM 1090 C THR A 75 -7.905 -7.830 3.821 1.00 0.00 C ATOM 1091 O THR A 75 -6.704 -7.826 4.094 1.00 0.00 O ATOM 1092 CB THR A 75 -9.476 -9.746 4.112 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.600 -8.913 4.422 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.736 -10.104 5.393 1.00 0.00 C ATOM 0 H THR A 75 -6.652 -9.927 3.115 1.00 0.00 H new ATOM 0 HA THR A 75 -9.128 -8.675 2.272 1.00 0.00 H new ATOM 0 HB THR A 75 -9.824 -10.666 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.756 -8.921 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.416 -10.612 6.076 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.899 -10.762 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.362 -9.195 5.863 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.715 -6.817 4.111 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.230 -5.616 4.780 1.00 0.00 C ATOM 1104 C VAL A 76 -9.330 -4.969 5.613 1.00 0.00 C ATOM 1105 O VAL A 76 -10.311 -4.457 5.075 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.694 -4.587 3.767 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.439 -5.111 3.086 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.763 -4.242 2.742 1.00 0.00 C ATOM 0 H VAL A 76 -9.711 -6.804 3.893 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.417 -5.925 5.436 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.432 -3.676 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.075 -4.370 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.671 -5.302 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.670 -6.037 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.367 -3.514 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.059 -5.144 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.631 -3.820 3.249 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.159 -4.994 6.931 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.146 -4.406 7.819 1.00 0.00 C ATOM 1120 C GLY A 77 -11.390 -5.261 7.951 1.00 0.00 C ATOM 1121 O GLY A 77 -11.823 -5.572 9.060 1.00 0.00 O ATOM 0 H GLY A 77 -8.355 -5.411 7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.703 -4.260 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.424 -3.420 7.446 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.968 -5.642 6.816 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.166 -6.462 6.831 1.00 0.00 C ATOM 1127 C GLY A 78 -12.863 -7.934 6.636 1.00 0.00 C ATOM 1128 O GLY A 78 -11.707 -8.352 6.702 1.00 0.00 O ATOM 0 H GLY A 78 -11.628 -5.397 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.685 -6.324 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.842 -6.126 6.045 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.905 -8.723 6.396 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.746 -10.159 6.192 1.00 0.00 C ATOM 1134 C LEU A 79 -13.613 -10.486 4.708 1.00 0.00 C ATOM 1135 O LEU A 79 -13.060 -11.520 4.338 1.00 0.00 O ATOM 1136 CB LEU A 79 -14.934 -10.914 6.788 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.283 -10.694 6.100 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.477 -11.697 4.974 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.417 -10.794 7.109 1.00 0.00 C ATOM 0 H LEU A 79 -14.868 -8.393 6.338 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.833 -10.474 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.708 -11.980 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.032 -10.628 7.835 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.293 -9.692 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.442 -11.526 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.681 -11.577 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.447 -12.709 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.369 -10.635 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.410 -11.783 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.285 -10.036 7.881 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.123 -9.595 3.863 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.060 -9.790 2.418 1.00 0.00 C ATOM 1153 C GLU A 80 -12.708 -10.365 2.006 1.00 0.00 C ATOM 1154 O GLU A 80 -11.735 -9.631 1.835 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.307 -8.466 1.692 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.756 -8.009 1.737 1.00 0.00 C ATOM 1157 CD GLU A 80 -16.106 -7.305 3.034 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.464 -6.281 3.345 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -17.023 -7.779 3.737 1.00 0.00 O ATOM 0 H GLU A 80 -14.584 -8.732 4.153 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.838 -10.500 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.677 -7.695 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.999 -8.569 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.947 -7.337 0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.409 -8.872 1.609 1.00 0.00 H new ATOM 1166 N THR A 81 -12.656 -11.684 1.847 1.00 0.00 N ATOM 1167 CA THR A 81 -11.425 -12.358 1.456 1.00 0.00 C ATOM 1168 C THR A 81 -11.417 -12.667 -0.036 1.00 0.00 C ATOM 1169 O THR A 81 -12.068 -13.610 -0.488 1.00 0.00 O ATOM 1170 CB THR A 81 -11.228 -13.669 2.241 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.475 -14.362 2.358 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.665 -13.389 3.628 1.00 0.00 C ATOM 0 H THR A 81 -13.453 -12.306 1.983 1.00 0.00 H new ATOM 0 HA THR A 81 -10.606 -11.678 1.688 1.00 0.00 H new ATOM 0 HB THR A 81 -10.518 -14.291 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.341 -15.195 2.857 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.534 -14.329 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.702 -12.887 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.355 -12.750 4.179 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.676 -11.870 -0.797 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.583 -12.059 -2.240 1.00 0.00 C ATOM 1182 C PHE A 82 -9.768 -13.305 -2.575 1.00 0.00 C ATOM 1183 O PHE A 82 -8.849 -13.672 -1.844 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.953 -10.830 -2.898 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.632 -9.540 -2.536 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.351 -8.906 -1.337 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.553 -8.963 -3.395 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.974 -7.719 -1.001 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.180 -7.776 -3.065 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.890 -7.154 -1.866 1.00 0.00 C ATOM 0 H PHE A 82 -10.130 -11.086 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.592 -12.192 -2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.903 -10.772 -2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.980 -10.954 -3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.636 -9.345 -0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.784 -9.446 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.745 -7.234 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.896 -7.336 -3.744 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.379 -6.227 -1.606 1.00 0.00 H new ATOM 1200 N ASP A 83 -10.112 -13.949 -3.684 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.412 -15.153 -4.118 1.00 0.00 C ATOM 1202 C ASP A 83 -7.903 -14.934 -4.118 1.00 0.00 C ATOM 1203 O ASP A 83 -7.132 -15.852 -3.840 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.881 -15.567 -5.513 1.00 0.00 C ATOM 1205 CG ASP A 83 -9.111 -16.755 -6.054 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -8.682 -17.604 -5.243 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -8.937 -16.838 -7.288 1.00 0.00 O ATOM 0 H ASP A 83 -10.871 -13.658 -4.299 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.644 -15.952 -3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.943 -15.811 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.770 -14.724 -6.195 1.00 0.00 H new ATOM 1212 N SER A 84 -7.488 -13.711 -4.432 1.00 0.00 N ATOM 1213 CA SER A 84 -6.070 -13.372 -4.475 1.00 0.00 C ATOM 1214 C SER A 84 -5.872 -11.859 -4.456 1.00 0.00 C ATOM 1215 O SER A 84 -6.837 -11.095 -4.494 1.00 0.00 O ATOM 1216 CB SER A 84 -5.419 -13.967 -5.725 1.00 0.00 C ATOM 1217 OG SER A 84 -4.013 -14.063 -5.570 1.00 0.00 O ATOM 0 H SER A 84 -8.113 -12.938 -4.660 1.00 0.00 H new ATOM 0 HA SER A 84 -5.594 -13.795 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.835 -14.955 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.651 -13.347 -6.591 1.00 0.00 H new ATOM 0 HG SER A 84 -3.620 -14.448 -6.381 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.615 -11.433 -4.395 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.289 -10.012 -4.370 1.00 0.00 C ATOM 1225 C LEU A 85 -4.704 -9.336 -5.673 1.00 0.00 C ATOM 1226 O LEU A 85 -5.131 -8.180 -5.678 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.790 -9.818 -4.137 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.337 -9.783 -2.677 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.861 -10.132 -2.568 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.610 -8.417 -2.066 1.00 0.00 C ATOM 0 H LEU A 85 -3.805 -12.052 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.841 -9.551 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.257 -10.623 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.486 -8.886 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.908 -10.527 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.556 -10.102 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.693 -11.133 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.274 -9.412 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.281 -8.411 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.066 -7.654 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.678 -8.206 -2.110 1.00 0.00 H new ATOM 1242 N THR A 86 -4.580 -10.064 -6.778 1.00 0.00 N ATOM 1243 CA THR A 86 -4.943 -9.535 -8.087 1.00 0.00 C ATOM 1244 C THR A 86 -6.398 -9.081 -8.111 1.00 0.00 C ATOM 1245 O THR A 86 -6.756 -8.152 -8.836 1.00 0.00 O ATOM 1246 CB THR A 86 -4.725 -10.582 -9.196 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.371 -11.047 -9.171 1.00 0.00 O ATOM 1248 CG2 THR A 86 -5.039 -9.994 -10.564 1.00 0.00 C ATOM 0 H THR A 86 -4.231 -11.022 -6.793 1.00 0.00 H new ATOM 0 HA THR A 86 -4.295 -8.679 -8.274 1.00 0.00 H new ATOM 0 HB THR A 86 -5.400 -11.418 -9.014 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.241 -11.713 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.878 -10.751 -11.331 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.078 -9.667 -10.590 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.386 -9.142 -10.752 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.232 -9.740 -7.315 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.649 -9.402 -7.244 1.00 0.00 C ATOM 1258 C ASP A 87 -8.901 -8.332 -6.187 1.00 0.00 C ATOM 1259 O ASP A 87 -9.588 -7.342 -6.442 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.478 -10.650 -6.931 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.642 -11.552 -8.138 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -8.701 -12.314 -8.442 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.713 -11.496 -8.780 1.00 0.00 O ATOM 0 H ASP A 87 -6.952 -10.512 -6.710 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.951 -9.007 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.000 -11.208 -6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.461 -10.349 -6.570 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.340 -8.536 -5.001 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.504 -7.588 -3.903 1.00 0.00 C ATOM 1270 C LEU A 88 -8.042 -6.194 -4.314 1.00 0.00 C ATOM 1271 O LEU A 88 -8.650 -5.191 -3.941 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.719 -8.058 -2.677 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.592 -7.048 -1.535 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.527 -7.765 -0.194 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.365 -6.171 -1.733 1.00 0.00 C ATOM 0 H LEU A 88 -7.767 -9.349 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.564 -7.539 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.195 -8.958 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.717 -8.341 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.475 -6.409 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.437 -7.031 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.435 -8.350 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.662 -8.428 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.291 -5.459 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.471 -6.795 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.453 -5.630 -2.675 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.960 -6.139 -5.086 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.418 -4.868 -5.550 1.00 0.00 C ATOM 1289 C VAL A 89 -7.227 -4.320 -6.720 1.00 0.00 C ATOM 1290 O VAL A 89 -7.652 -3.165 -6.707 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.946 -5.010 -5.981 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.394 -3.671 -6.445 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -4.110 -5.574 -4.843 1.00 0.00 C ATOM 0 H VAL A 89 -6.443 -6.959 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.479 -4.173 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.896 -5.706 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.353 -3.791 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.977 -3.311 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.455 -2.950 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.073 -5.668 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.164 -4.904 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.493 -6.555 -4.562 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.438 -5.156 -7.731 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.196 -4.754 -8.910 1.00 0.00 C ATOM 1305 C GLU A 90 -9.555 -4.184 -8.513 1.00 0.00 C ATOM 1306 O GLU A 90 -10.104 -3.322 -9.201 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.386 -5.945 -9.852 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.158 -6.261 -10.689 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.141 -5.511 -12.006 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.323 -4.276 -11.989 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.945 -6.160 -13.055 1.00 0.00 O ATOM 0 H GLU A 90 -7.095 -6.116 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.632 -3.978 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.651 -6.824 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.226 -5.742 -10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.262 -6.011 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.122 -7.333 -10.885 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.093 -4.672 -7.400 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.387 -4.211 -6.911 1.00 0.00 C ATOM 1320 C HIS A 91 -11.295 -2.777 -6.396 1.00 0.00 C ATOM 1321 O HIS A 91 -12.218 -1.981 -6.575 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.895 -5.133 -5.801 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.347 -4.945 -5.483 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.791 -4.271 -4.366 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.456 -5.348 -6.146 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.113 -4.267 -4.354 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.541 -4.914 -5.423 1.00 0.00 N ATOM 0 H HIS A 91 -9.653 -5.386 -6.820 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.091 -4.235 -7.743 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.727 -6.169 -6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.309 -4.959 -4.899 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.483 -5.906 -7.070 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.737 -3.812 -3.599 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.518 -5.067 -5.672 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.177 -2.455 -5.755 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.965 -1.118 -5.213 1.00 0.00 C ATOM 1338 C PHE A 92 -9.396 -0.184 -6.276 1.00 0.00 C ATOM 1339 O PHE A 92 -9.558 1.035 -6.199 1.00 0.00 O ATOM 1340 CB PHE A 92 -9.019 -1.177 -4.011 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.578 -1.941 -2.845 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.865 -1.699 -2.393 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.816 -2.901 -2.199 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.382 -2.400 -1.321 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.328 -3.606 -1.126 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.612 -3.354 -0.685 1.00 0.00 C ATOM 0 H PHE A 92 -9.404 -3.101 -5.598 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.930 -0.727 -4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.080 -1.637 -4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.786 -0.161 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.472 -0.953 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.810 -3.101 -2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.388 -2.202 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.724 -4.353 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 92 -11.013 -3.901 0.155 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.731 -0.762 -7.269 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.139 0.016 -8.351 1.00 0.00 C ATOM 1358 C LYS A 93 -9.209 0.796 -9.109 1.00 0.00 C ATOM 1359 O LYS A 93 -8.928 1.836 -9.705 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.383 -0.902 -9.314 1.00 0.00 C ATOM 1361 CG LYS A 93 -5.960 -1.203 -8.875 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.293 -2.208 -9.799 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.859 -1.562 -11.106 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.040 -2.488 -11.937 1.00 0.00 N ATOM 0 H LYS A 93 -8.588 -1.769 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.439 0.727 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.930 -1.840 -9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.360 -0.440 -10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.380 -0.280 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.967 -1.592 -7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.426 -2.642 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.983 -3.026 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.740 -1.252 -11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.284 -0.661 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.764 -2.011 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.186 -2.764 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.597 -3.337 -12.162 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.436 0.287 -9.082 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.549 0.935 -9.764 1.00 0.00 C ATOM 1380 C LYS A 94 -12.449 1.660 -8.769 1.00 0.00 C ATOM 1381 O LYS A 94 -12.934 2.759 -9.040 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.364 -0.096 -10.549 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.714 -1.335 -9.744 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.687 -2.230 -10.491 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.177 -3.374 -9.617 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.098 -4.282 -10.356 1.00 0.00 N ATOM 0 H LYS A 94 -10.685 -0.574 -8.594 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.139 1.669 -10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.284 0.371 -10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.801 -0.395 -11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.805 -1.893 -9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.150 -1.039 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.538 -1.640 -10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.203 -2.632 -11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.322 -3.943 -9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.689 -2.970 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.410 -5.048 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.926 -3.745 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.602 -4.688 -11.175 1.00 0.00 H new ATOM 1400 N THR A 95 -12.669 1.039 -7.614 1.00 0.00 N ATOM 1401 CA THR A 95 -13.511 1.624 -6.579 1.00 0.00 C ATOM 1402 C THR A 95 -12.693 2.501 -5.637 1.00 0.00 C ATOM 1403 O THR A 95 -13.058 3.644 -5.366 1.00 0.00 O ATOM 1404 CB THR A 95 -14.228 0.537 -5.757 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.266 -0.291 -5.095 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.114 -0.320 -6.649 1.00 0.00 C ATOM 0 H THR A 95 -12.275 0.130 -7.372 1.00 0.00 H new ATOM 0 HA THR A 95 -14.257 2.236 -7.086 1.00 0.00 H new ATOM 0 HB THR A 95 -14.855 1.029 -5.014 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.201 -1.152 -5.559 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.610 -1.081 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.864 0.309 -7.129 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.504 -0.803 -7.412 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.585 1.958 -5.143 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.733 2.706 -4.237 1.00 0.00 C ATOM 1416 C GLY A 96 -10.881 2.257 -2.797 1.00 0.00 C ATOM 1417 O GLY A 96 -11.860 1.598 -2.443 1.00 0.00 O ATOM 0 H GLY A 96 -11.262 1.014 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.693 2.593 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.973 3.767 -4.310 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.908 2.611 -1.966 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.935 2.238 -0.557 1.00 0.00 C ATOM 1423 C ILE A 97 -10.209 3.450 0.328 1.00 0.00 C ATOM 1424 O ILE A 97 -9.526 4.469 0.230 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.609 1.589 -0.119 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.223 0.466 -1.086 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.721 1.057 1.301 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.882 -0.162 -0.777 1.00 0.00 C ATOM 0 H ILE A 97 -9.091 3.155 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.741 1.514 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.826 2.348 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.992 -0.306 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.205 0.862 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.775 0.602 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.955 1.877 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.513 0.310 1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.673 -0.949 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.103 0.598 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.902 -0.588 0.226 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.214 3.332 1.190 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.577 4.419 2.092 1.00 0.00 C ATOM 1442 C GLU A 98 -10.998 4.187 3.485 1.00 0.00 C ATOM 1443 O GLU A 98 -11.138 3.105 4.054 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.099 4.553 2.177 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.560 5.759 2.978 1.00 0.00 C ATOM 1446 CD GLU A 98 -13.607 5.484 4.469 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -13.485 4.305 4.860 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -13.766 6.451 5.245 1.00 0.00 O ATOM 0 H GLU A 98 -11.791 2.496 1.283 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.159 5.343 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.506 4.620 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.510 3.650 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.888 6.596 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.550 6.061 2.636 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.346 5.211 4.027 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.745 5.118 5.352 1.00 0.00 C ATOM 1457 C GLU A 99 -10.737 5.542 6.430 1.00 0.00 C ATOM 1458 O GLU A 99 -11.511 6.480 6.243 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.489 5.989 5.428 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.251 5.322 4.854 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.164 6.318 4.499 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.487 6.812 5.425 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.990 6.603 3.295 1.00 0.00 O ATOM 0 H GLU A 99 -10.221 6.114 3.569 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.469 4.078 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.670 6.921 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.301 6.251 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.860 4.606 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.527 4.758 3.963 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.709 4.842 7.560 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.604 5.146 8.670 1.00 0.00 C ATOM 1472 C ALA A 100 -11.881 6.643 8.759 1.00 0.00 C ATOM 1473 O ALA A 100 -13.029 7.065 8.896 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.015 4.638 9.978 1.00 0.00 C ATOM 0 H ALA A 100 -10.076 4.061 7.731 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.551 4.638 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.694 4.872 10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.875 3.559 9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.053 5.119 10.155 1.00 0.00 H new ATOM 1480 N SER A 101 -10.820 7.442 8.679 1.00 0.00 N ATOM 1481 CA SER A 101 -10.949 8.891 8.756 1.00 0.00 C ATOM 1482 C SER A 101 -11.787 9.424 7.597 1.00 0.00 C ATOM 1483 O SER A 101 -12.666 10.263 7.786 1.00 0.00 O ATOM 1484 CB SER A 101 -9.566 9.549 8.744 1.00 0.00 C ATOM 1485 OG SER A 101 -9.610 10.837 9.332 1.00 0.00 O ATOM 0 H SER A 101 -9.863 7.109 8.561 1.00 0.00 H new ATOM 0 HA SER A 101 -11.453 9.137 9.691 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.857 8.923 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.205 9.626 7.718 1.00 0.00 H new ATOM 0 HG SER A 101 -8.715 11.236 9.314 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.506 8.930 6.395 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.241 9.367 5.223 1.00 0.00 C ATOM 1493 C GLY A 102 -11.384 9.380 3.973 1.00 0.00 C ATOM 1494 O GLY A 102 -11.888 9.190 2.866 1.00 0.00 O ATOM 0 H GLY A 102 -10.782 8.235 6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.095 8.708 5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.637 10.367 5.398 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.086 9.606 4.149 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.158 9.644 3.025 1.00 0.00 C ATOM 1500 C ALA A 103 -9.494 8.565 2.000 1.00 0.00 C ATOM 1501 O ALA A 103 -9.833 7.438 2.359 1.00 0.00 O ATOM 1502 CB ALA A 103 -7.727 9.479 3.517 1.00 0.00 C ATOM 0 H ALA A 103 -9.653 9.765 5.059 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.254 10.614 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.044 9.509 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.484 10.287 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.626 8.522 4.029 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.399 8.920 0.722 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.695 7.983 -0.355 1.00 0.00 C ATOM 1510 C PHE A 104 -8.430 7.632 -1.133 1.00 0.00 C ATOM 1511 O PHE A 104 -7.920 8.442 -1.908 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.742 8.575 -1.301 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.157 8.298 -0.879 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.801 7.141 -1.286 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.842 9.194 -0.075 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.103 6.885 -0.899 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.143 8.943 0.315 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.774 7.786 -0.096 1.00 0.00 C ATOM 0 H PHE A 104 -9.119 9.849 0.408 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.092 7.070 0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.595 9.653 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.584 8.173 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.280 6.432 -1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.353 10.100 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.595 5.981 -1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.666 9.651 0.941 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.790 7.586 0.210 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.929 6.420 -0.920 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.724 5.960 -1.601 1.00 0.00 C ATOM 1530 C VAL A 105 -7.063 5.319 -2.943 1.00 0.00 C ATOM 1531 O VAL A 105 -7.839 4.366 -3.008 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.946 4.947 -0.741 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.504 4.841 -1.215 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.006 5.338 0.727 1.00 0.00 C ATOM 0 H VAL A 105 -8.339 5.738 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.099 6.837 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.413 3.968 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.969 4.121 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.486 4.511 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.022 5.816 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.451 4.611 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.565 6.326 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.045 5.357 1.056 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.473 5.847 -4.009 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.713 5.327 -5.350 1.00 0.00 C ATOM 1546 C TYR A 106 -5.455 4.670 -5.912 1.00 0.00 C ATOM 1547 O TYR A 106 -4.376 5.264 -5.909 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.175 6.450 -6.280 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.371 7.213 -5.760 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.526 6.550 -5.364 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.345 8.599 -5.660 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.621 7.244 -4.889 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.435 9.301 -5.184 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.572 8.620 -4.800 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.659 9.315 -4.325 1.00 0.00 O ATOM 0 H TYR A 106 -5.825 6.634 -3.971 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.497 4.573 -5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.350 7.145 -6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.420 6.026 -7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.568 5.473 -5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.457 9.136 -5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.512 6.712 -4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.398 10.378 -5.113 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.460 10.274 -4.326 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.603 3.442 -6.397 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.480 2.703 -6.965 1.00 0.00 C ATOM 1567 C LEU A 107 -4.614 2.590 -8.480 1.00 0.00 C ATOM 1568 O LEU A 107 -5.528 1.940 -8.986 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.397 1.307 -6.344 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.826 1.198 -4.880 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.321 0.933 -4.781 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.042 0.101 -4.174 1.00 0.00 C ATOM 0 H LEU A 107 -6.489 2.937 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.565 3.250 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.015 0.631 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.369 0.954 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.611 2.146 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.609 0.858 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.867 1.751 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.559 -0.001 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.361 0.038 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.226 -0.853 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.977 0.331 -4.214 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.694 3.226 -9.199 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.708 3.195 -10.656 1.00 0.00 C ATOM 1586 C ARG A 108 -2.333 2.826 -11.206 1.00 0.00 C ATOM 1587 O ARG A 108 -2.224 2.169 -12.241 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.143 4.553 -11.211 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.369 5.129 -10.522 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.872 6.376 -11.230 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.678 6.053 -12.404 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.095 6.959 -13.281 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.785 8.237 -13.116 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -7.824 6.586 -14.325 1.00 0.00 N ATOM 0 H ARG A 108 -2.930 3.769 -8.796 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.422 2.434 -10.971 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.317 5.257 -11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.350 4.451 -12.276 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.160 4.379 -10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.126 5.370 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.465 6.972 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.023 6.989 -11.531 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.935 5.078 -12.559 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.225 8.527 -12.314 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.106 8.931 -13.791 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.064 5.603 -14.454 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.144 7.282 -14.998 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.288 3.254 -10.505 1.00 0.00 N ATOM 1609 CA GLN A 109 0.079 2.969 -10.924 1.00 0.00 C ATOM 1610 C GLN A 109 0.682 1.842 -10.090 1.00 0.00 C ATOM 1611 O GLN A 109 1.161 2.052 -8.975 1.00 0.00 O ATOM 1612 CB GLN A 109 0.945 4.225 -10.807 1.00 0.00 C ATOM 1613 CG GLN A 109 0.937 5.088 -12.058 1.00 0.00 C ATOM 1614 CD GLN A 109 1.112 6.562 -11.751 1.00 0.00 C ATOM 1615 OE1 GLN A 109 0.334 7.066 -10.801 1.00 0.00 O flip ATOM 1616 NE2 GLN A 109 1.938 7.241 -12.362 1.00 0.00 N flip ATOM 0 H GLN A 109 -1.362 3.799 -9.646 1.00 0.00 H new ATOM 0 HA GLN A 109 0.052 2.651 -11.966 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.596 4.820 -9.963 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.971 3.930 -10.586 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.736 4.762 -12.725 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.003 4.941 -12.590 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.516 6.812 -13.085 1.00 0.00 H new ATOM 0 HE22 GLN A 109 2.044 8.232 -12.145 1.00 0.00 H new ATOM 1625 N PRO A 110 0.657 0.620 -10.640 1.00 0.00 N ATOM 1626 CA PRO A 110 1.196 -0.563 -9.963 1.00 0.00 C ATOM 1627 C PRO A 110 2.718 -0.532 -9.863 1.00 0.00 C ATOM 1628 O PRO A 110 3.414 -1.132 -10.682 1.00 0.00 O ATOM 1629 CB PRO A 110 0.742 -1.721 -10.855 1.00 0.00 C ATOM 1630 CG PRO A 110 0.566 -1.112 -12.204 1.00 0.00 C ATOM 1631 CD PRO A 110 0.100 0.297 -11.964 1.00 0.00 C ATOM 0 HA PRO A 110 0.846 -0.638 -8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.483 -2.520 -10.875 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.189 -2.158 -10.493 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.502 -1.124 -12.763 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.163 -1.670 -12.792 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.468 0.978 -12.732 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.988 0.367 -11.970 1.00 0.00 H new ATOM 1639 N TYR A 111 3.225 0.171 -8.857 1.00 0.00 N ATOM 1640 CA TYR A 111 4.664 0.281 -8.652 1.00 0.00 C ATOM 1641 C TYR A 111 5.373 -1.012 -9.046 1.00 0.00 C ATOM 1642 O TYR A 111 5.207 -2.045 -8.398 1.00 0.00 O ATOM 1643 CB TYR A 111 4.969 0.617 -7.192 1.00 0.00 C ATOM 1644 CG TYR A 111 6.274 1.356 -7.000 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.616 2.426 -7.818 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.165 0.984 -6.001 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.808 3.104 -7.647 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.359 1.657 -5.822 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.676 2.715 -6.647 1.00 0.00 C ATOM 1650 OH TYR A 111 9.864 3.388 -6.472 1.00 0.00 O ATOM 0 H TYR A 111 2.661 0.673 -8.171 1.00 0.00 H new ATOM 0 HA TYR A 111 5.034 1.085 -9.288 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.156 1.222 -6.790 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.996 -0.306 -6.613 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.938 2.733 -8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.921 0.155 -5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.059 3.933 -8.292 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.040 1.356 -5.040 1.00 0.00 H new ATOM 0 HH TYR A 111 9.755 4.322 -6.748 1.00 0.00 H new ATOM 1660 N TYR A 112 6.161 -0.945 -10.112 1.00 0.00 N ATOM 1661 CA TYR A 112 6.894 -2.110 -10.595 1.00 0.00 C ATOM 1662 C TYR A 112 8.312 -2.133 -10.033 1.00 0.00 C ATOM 1663 O TYR A 112 9.276 -2.375 -10.760 1.00 0.00 O ATOM 1664 CB TYR A 112 6.939 -2.112 -12.124 1.00 0.00 C ATOM 1665 CG TYR A 112 5.710 -1.510 -12.767 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.559 -0.132 -12.870 1.00 0.00 C ATOM 1667 CD2 TYR A 112 4.701 -2.319 -13.275 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.438 0.422 -13.456 1.00 0.00 C ATOM 1669 CE2 TYR A 112 3.576 -1.773 -13.864 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.450 -0.402 -13.952 1.00 0.00 C ATOM 1671 OH TYR A 112 2.331 0.145 -14.537 1.00 0.00 O ATOM 0 H TYR A 112 6.309 -0.097 -10.659 1.00 0.00 H new ATOM 0 HA TYR A 112 6.373 -3.004 -10.252 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.819 -1.560 -12.454 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.057 -3.137 -12.474 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.332 0.517 -12.485 1.00 0.00 H new ATOM 0 HD2 TYR A 112 4.797 -3.393 -13.209 1.00 0.00 H new ATOM 0 HE1 TYR A 112 4.336 1.495 -13.525 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.800 -2.416 -14.253 1.00 0.00 H new ATOM 0 HH TYR A 112 1.734 -0.573 -14.835 1.00 0.00 H new ATOM 1681 N SER A 113 8.430 -1.881 -8.734 1.00 0.00 N ATOM 1682 CA SER A 113 9.730 -1.870 -8.073 1.00 0.00 C ATOM 1683 C SER A 113 10.810 -1.334 -9.008 1.00 0.00 C ATOM 1684 O SER A 113 11.907 -1.885 -9.088 1.00 0.00 O ATOM 1685 CB SER A 113 10.099 -3.277 -7.603 1.00 0.00 C ATOM 1686 OG SER A 113 11.078 -3.233 -6.579 1.00 0.00 O ATOM 0 H SER A 113 7.642 -1.682 -8.118 1.00 0.00 H new ATOM 0 HA SER A 113 9.664 -1.212 -7.207 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.208 -3.787 -7.237 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.475 -3.858 -8.445 1.00 0.00 H new ATOM 0 HG SER A 113 10.638 -3.115 -5.711 1.00 0.00 H new ATOM 1692 N GLY A 114 10.490 -0.253 -9.715 1.00 0.00 N ATOM 1693 CA GLY A 114 11.443 0.340 -10.635 1.00 0.00 C ATOM 1694 C GLY A 114 11.732 1.793 -10.313 1.00 0.00 C ATOM 1695 O GLY A 114 10.849 2.549 -9.908 1.00 0.00 O ATOM 0 H GLY A 114 9.588 0.222 -9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.373 -0.227 -10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.056 0.266 -11.651 1.00 0.00 H new ATOM 1699 N PRO A 115 12.996 2.203 -10.495 1.00 0.00 N ATOM 1700 CA PRO A 115 13.428 3.577 -10.226 1.00 0.00 C ATOM 1701 C PRO A 115 12.857 4.571 -11.232 1.00 0.00 C ATOM 1702 O PRO A 115 12.068 4.204 -12.103 1.00 0.00 O ATOM 1703 CB PRO A 115 14.951 3.502 -10.355 1.00 0.00 C ATOM 1704 CG PRO A 115 15.199 2.343 -11.258 1.00 0.00 C ATOM 1705 CD PRO A 115 14.100 1.356 -10.976 1.00 0.00 C ATOM 0 HA PRO A 115 13.086 3.929 -9.253 1.00 0.00 H new ATOM 0 HB2 PRO A 115 15.359 4.423 -10.772 1.00 0.00 H new ATOM 0 HB3 PRO A 115 15.424 3.355 -9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.187 2.653 -12.303 1.00 0.00 H new ATOM 0 HG3 PRO A 115 16.178 1.902 -11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.820 0.800 -11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 115 14.400 0.623 -10.227 1.00 0.00 H new ATOM 1713 N SER A 116 13.263 5.831 -11.107 1.00 0.00 N ATOM 1714 CA SER A 116 12.788 6.879 -12.004 1.00 0.00 C ATOM 1715 C SER A 116 13.813 7.162 -13.098 1.00 0.00 C ATOM 1716 O SER A 116 13.501 7.099 -14.287 1.00 0.00 O ATOM 1717 CB SER A 116 12.498 8.159 -11.218 1.00 0.00 C ATOM 1718 OG SER A 116 11.702 9.053 -11.976 1.00 0.00 O ATOM 0 H SER A 116 13.919 6.151 -10.394 1.00 0.00 H new ATOM 0 HA SER A 116 11.867 6.533 -12.473 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.986 7.911 -10.288 1.00 0.00 H new ATOM 0 HB3 SER A 116 13.436 8.643 -10.946 1.00 0.00 H new ATOM 0 HG SER A 116 12.266 9.772 -12.332 1.00 0.00 H new ATOM 1724 N SER A 117 15.039 7.473 -12.687 1.00 0.00 N ATOM 1725 CA SER A 117 16.110 7.769 -13.631 1.00 0.00 C ATOM 1726 C SER A 117 15.670 8.830 -14.636 1.00 0.00 C ATOM 1727 O SER A 117 15.965 8.732 -15.827 1.00 0.00 O ATOM 1728 CB SER A 117 16.536 6.498 -14.367 1.00 0.00 C ATOM 1729 OG SER A 117 17.411 5.717 -13.571 1.00 0.00 O ATOM 0 H SER A 117 15.315 7.526 -11.706 1.00 0.00 H new ATOM 0 HA SER A 117 16.960 8.156 -13.069 1.00 0.00 H new ATOM 0 HB2 SER A 117 15.655 5.912 -14.627 1.00 0.00 H new ATOM 0 HB3 SER A 117 17.029 6.763 -15.302 1.00 0.00 H new ATOM 0 HG SER A 117 17.668 4.909 -14.063 1.00 0.00 H new ATOM 1735 N GLY A 118 14.962 9.843 -14.147 1.00 0.00 N ATOM 1736 CA GLY A 118 14.492 10.907 -15.015 1.00 0.00 C ATOM 1737 C GLY A 118 13.403 11.742 -14.371 1.00 0.00 C ATOM 1738 O GLY A 118 13.024 11.459 -13.235 1.00 0.00 O ATOM 0 H GLY A 118 14.705 9.946 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 118 15.330 11.551 -15.281 1.00 0.00 H new ATOM 0 HA3 GLY A 118 14.114 10.475 -15.942 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N ALA B 1 11.064 15.390 19.149 1.00 0.00 N ATOM 1744 CA ALA B 1 11.527 14.100 18.651 1.00 0.00 C ATOM 1745 C ALA B 1 10.373 13.111 18.532 1.00 0.00 C ATOM 1746 O ALA B 1 9.338 13.266 19.181 1.00 0.00 O ATOM 1747 CB ALA B 1 12.611 13.542 19.561 1.00 0.00 C ATOM 0 H1 ALA B 1 11.132 16.099 18.392 1.00 0.00 H new ATOM 0 H2 ALA B 1 10.074 15.308 19.458 1.00 0.00 H new ATOM 0 H3 ALA B 1 11.655 15.684 19.953 1.00 0.00 H new ATOM 0 HA ALA B 1 11.945 14.251 17.656 1.00 0.00 H new ATOM 0 HB1 ALA B 1 12.948 12.579 19.178 1.00 0.00 H new ATOM 0 HB2 ALA B 1 13.452 14.234 19.592 1.00 0.00 H new ATOM 0 HB3 ALA B 1 12.211 13.412 20.567 1.00 0.00 H new ATOM 1753 N THR B 2 10.555 12.093 17.696 1.00 0.00 N ATOM 1754 CA THR B 2 9.529 11.080 17.489 1.00 0.00 C ATOM 1755 C THR B 2 10.145 9.692 17.358 1.00 0.00 C ATOM 1756 O THR B 2 11.274 9.546 16.892 1.00 0.00 O ATOM 1757 CB THR B 2 8.689 11.377 16.232 1.00 0.00 C ATOM 1758 OG1 THR B 2 7.609 10.444 16.132 1.00 0.00 O ATOM 1759 CG2 THR B 2 9.548 11.305 14.978 1.00 0.00 C ATOM 0 H THR B 2 11.405 11.949 17.151 1.00 0.00 H new ATOM 0 HA THR B 2 8.880 11.106 18.364 1.00 0.00 H new ATOM 0 HB THR B 2 8.288 12.387 16.320 1.00 0.00 H new ATOM 0 HG1 THR B 2 7.079 10.641 15.331 1.00 0.00 H new ATOM 0 HG21 THR B 2 8.934 11.518 14.103 1.00 0.00 H new ATOM 0 HG22 THR B 2 10.351 12.039 15.045 1.00 0.00 H new ATOM 0 HG23 THR B 2 9.975 10.306 14.887 1.00 0.00 H new ATOM 1767 N GLU B 3 9.395 8.675 17.770 1.00 0.00 N ATOM 1768 CA GLU B 3 9.869 7.298 17.697 1.00 0.00 C ATOM 1769 C GLU B 3 9.849 6.791 16.258 1.00 0.00 C ATOM 1770 O GLU B 3 9.340 7.461 15.361 1.00 0.00 O ATOM 1771 CB GLU B 3 9.009 6.392 18.581 1.00 0.00 C ATOM 1772 CG GLU B 3 7.538 6.387 18.199 1.00 0.00 C ATOM 1773 CD GLU B 3 6.658 5.784 19.277 1.00 0.00 C ATOM 1774 OE1 GLU B 3 6.474 4.549 19.269 1.00 0.00 O ATOM 1775 OE2 GLU B 3 6.154 6.547 20.128 1.00 0.00 O ATOM 0 H GLU B 3 8.457 8.779 18.158 1.00 0.00 H new ATOM 0 HA GLU B 3 10.897 7.275 18.057 1.00 0.00 H new ATOM 0 HB2 GLU B 3 9.393 5.374 18.526 1.00 0.00 H new ATOM 0 HB3 GLU B 3 9.105 6.713 19.618 1.00 0.00 H new ATOM 0 HG2 GLU B 3 7.214 7.409 18.000 1.00 0.00 H new ATOM 0 HG3 GLU B 3 7.409 5.826 17.273 1.00 0.00 H new ATOM 1782 N GLN B 4 10.407 5.603 16.048 1.00 0.00 N ATOM 1783 CA GLN B 4 10.454 5.007 14.718 1.00 0.00 C ATOM 1784 C GLN B 4 9.379 3.938 14.563 1.00 0.00 C ATOM 1785 O GLN B 4 9.619 2.759 14.827 1.00 0.00 O ATOM 1786 CB GLN B 4 11.835 4.400 14.457 1.00 0.00 C ATOM 1787 CG GLN B 4 12.106 4.116 12.989 1.00 0.00 C ATOM 1788 CD GLN B 4 11.785 5.297 12.096 1.00 0.00 C ATOM 1789 OE1 GLN B 4 12.591 6.217 11.950 1.00 0.00 O ATOM 1790 NE2 GLN B 4 10.603 5.279 11.493 1.00 0.00 N ATOM 0 H GLN B 4 10.832 5.035 16.781 1.00 0.00 H new ATOM 0 HA GLN B 4 10.266 5.794 13.987 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.599 5.080 14.834 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.928 3.472 15.021 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.154 3.845 12.863 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.514 3.256 12.674 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.966 4.496 11.642 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.331 6.048 10.880 1.00 0.00 H new ATOM 1799 N GLU B 5 8.193 4.356 14.133 1.00 0.00 N ATOM 1800 CA GLU B 5 7.081 3.432 13.943 1.00 0.00 C ATOM 1801 C GLU B 5 6.061 4.003 12.961 1.00 0.00 C ATOM 1802 O GLU B 5 5.458 5.046 13.212 1.00 0.00 O ATOM 1803 CB GLU B 5 6.402 3.135 15.282 1.00 0.00 C ATOM 1804 CG GLU B 5 5.609 1.839 15.288 1.00 0.00 C ATOM 1805 CD GLU B 5 6.496 0.611 15.353 1.00 0.00 C ATOM 1806 OE1 GLU B 5 6.903 0.234 16.472 1.00 0.00 O ATOM 1807 OE2 GLU B 5 6.783 0.029 14.287 1.00 0.00 O ATOM 0 H GLU B 5 7.977 5.328 13.910 1.00 0.00 H new ATOM 0 HA GLU B 5 7.479 2.505 13.530 1.00 0.00 H new ATOM 0 HB2 GLU B 5 7.161 3.090 16.063 1.00 0.00 H new ATOM 0 HB3 GLU B 5 5.735 3.960 15.533 1.00 0.00 H new ATOM 0 HG2 GLU B 5 4.930 1.837 16.141 1.00 0.00 H new ATOM 0 HG3 GLU B 5 4.993 1.790 14.390 1.00 0.00 H new ATOM 1814 N ILE B 6 5.877 3.311 11.841 1.00 0.00 N ATOM 1815 CA ILE B 6 4.932 3.748 10.822 1.00 0.00 C ATOM 1816 C ILE B 6 3.494 3.476 11.251 1.00 0.00 C ATOM 1817 O ILE B 6 3.210 2.475 11.908 1.00 0.00 O ATOM 1818 CB ILE B 6 5.193 3.048 9.474 1.00 0.00 C ATOM 1819 CG1 ILE B 6 6.686 3.085 9.137 1.00 0.00 C ATOM 1820 CG2 ILE B 6 4.378 3.703 8.370 1.00 0.00 C ATOM 1821 CD1 ILE B 6 7.455 1.895 9.664 1.00 0.00 C ATOM 0 H ILE B 6 6.370 2.446 11.617 1.00 0.00 H new ATOM 0 HA ILE B 6 5.076 4.822 10.700 1.00 0.00 H new ATOM 0 HB ILE B 6 4.884 2.006 9.556 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.805 3.133 8.055 1.00 0.00 H new ATOM 0 HG13 ILE B 6 7.120 3.997 9.546 1.00 0.00 H new ATOM 0 HG21 ILE B 6 4.574 3.197 7.424 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.317 3.629 8.608 1.00 0.00 H new ATOM 0 HG23 ILE B 6 4.659 4.753 8.285 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.505 1.989 9.388 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.368 1.857 10.750 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.047 0.980 9.235 1.00 0.00 H new ATOM 1833 N THR B 7 2.589 4.375 10.875 1.00 0.00 N ATOM 1834 CA THR B 7 1.181 4.233 11.222 1.00 0.00 C ATOM 1835 C THR B 7 0.361 3.791 10.015 1.00 0.00 C ATOM 1836 O THR B 7 0.255 4.515 9.025 1.00 0.00 O ATOM 1837 CB THR B 7 0.601 5.551 11.767 1.00 0.00 C ATOM 1838 OG1 THR B 7 1.226 5.882 13.013 1.00 0.00 O ATOM 1839 CG2 THR B 7 -0.903 5.440 11.963 1.00 0.00 C ATOM 0 H THR B 7 2.807 5.209 10.330 1.00 0.00 H new ATOM 0 HA THR B 7 1.121 3.470 11.999 1.00 0.00 H new ATOM 0 HB THR B 7 0.800 6.338 11.040 1.00 0.00 H new ATOM 0 HG1 THR B 7 0.853 6.722 13.353 1.00 0.00 H new ATOM 0 HG21 THR B 7 -1.290 6.383 12.349 1.00 0.00 H new ATOM 0 HG22 THR B 7 -1.379 5.216 11.008 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.119 4.642 12.673 1.00 0.00 H new HETATM 1847 N PTR B 8 -0.219 2.599 10.104 1.00 0.00 N HETATM 1848 CA PTR B 8 -1.029 2.060 9.019 1.00 0.00 C HETATM 1849 C PTR B 8 -2.383 2.759 8.950 1.00 0.00 C HETATM 1850 O PTR B 8 -2.673 3.654 9.743 1.00 0.00 O HETATM 1851 CB PTR B 8 -1.229 0.555 9.202 1.00 0.00 C HETATM 1852 CG PTR B 8 -0.008 -0.266 8.851 1.00 0.00 C HETATM 1853 CD1 PTR B 8 1.209 -0.041 9.483 1.00 0.00 C HETATM 1854 CD2 PTR B 8 -0.071 -1.264 7.887 1.00 0.00 C HETATM 1855 CE1 PTR B 8 2.328 -0.788 9.165 1.00 0.00 C HETATM 1856 CE2 PTR B 8 1.043 -2.016 7.563 1.00 0.00 C HETATM 1857 CZ PTR B 8 2.239 -1.774 8.205 1.00 0.00 C HETATM 1858 OH PTR B 8 3.350 -2.520 7.885 1.00 0.00 O HETATM 1859 P PTR B 8 4.359 -3.164 8.945 1.00 0.00 P HETATM 1860 O1P PTR B 8 5.224 -4.163 8.279 1.00 0.00 O HETATM 1861 O2P PTR B 8 5.212 -2.110 9.538 1.00 0.00 O HETATM 1862 O3P PTR B 8 3.600 -3.832 10.027 1.00 0.00 O HETATM 0 HE2 PTR B 8 0.976 -2.796 6.804 1.00 0.00 H new HETATM 0 HE1 PTR B 8 3.275 -0.599 9.670 1.00 0.00 H new HETATM 0 HD2 PTR B 8 -1.015 -1.458 7.377 1.00 0.00 H new HETATM 0 HD1 PTR B 8 1.283 0.738 10.242 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.504 0.357 10.238 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -2.065 0.230 8.583 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.500 2.238 8.083 1.00 0.00 H new ATOM 1871 N ALA B 9 -3.209 2.343 7.996 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.534 2.927 7.824 1.00 0.00 C ATOM 1873 C ALA B 9 -5.624 1.953 8.261 1.00 0.00 C ATOM 1874 O ALA B 9 -5.662 0.809 7.813 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.745 3.341 6.375 1.00 0.00 C ATOM 0 H ALA B 9 -2.984 1.604 7.330 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.598 3.812 8.457 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.738 3.775 6.262 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.993 4.078 6.094 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.655 2.467 5.730 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.506 2.416 9.141 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.595 1.585 9.639 1.00 0.00 C ATOM 1883 C GLU B 10 -8.860 1.791 8.812 1.00 0.00 C ATOM 1884 O GLU B 10 -9.801 2.454 9.248 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.878 1.902 11.109 1.00 0.00 C ATOM 1886 CG GLU B 10 -6.622 2.125 11.935 1.00 0.00 C ATOM 1887 CD GLU B 10 -6.053 0.835 12.493 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -6.574 0.353 13.521 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -5.089 0.308 11.901 1.00 0.00 O ATOM 0 H GLU B 10 -6.488 3.361 9.523 1.00 0.00 H new ATOM 0 HA GLU B 10 -7.290 0.542 9.551 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.504 2.793 11.166 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.449 1.083 11.545 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -5.868 2.613 11.318 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -6.848 2.803 12.758 1.00 0.00 H new ATOM 1896 N LEU B 11 -8.876 1.218 7.612 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.024 1.338 6.722 1.00 0.00 C ATOM 1898 C LEU B 11 -11.329 1.123 7.482 1.00 0.00 C ATOM 1899 O LEU B 11 -11.322 0.698 8.637 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.914 0.329 5.577 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.948 0.696 4.450 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -7.789 1.521 4.987 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.437 -0.560 3.757 1.00 0.00 C ATOM 0 H LEU B 11 -8.106 0.666 7.234 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.029 2.347 6.310 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.608 -0.631 5.993 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.906 0.188 5.147 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.485 1.298 3.718 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.112 1.773 4.170 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.172 2.437 5.436 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.251 0.945 5.740 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.751 -0.281 2.958 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -7.916 -1.188 4.480 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.278 -1.112 3.337 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.447 1.415 6.825 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.759 1.251 7.439 1.00 0.00 C ATOM 1917 C ASN B 12 -14.552 0.151 6.740 1.00 0.00 C ATOM 1918 O ASN B 12 -15.425 0.428 5.917 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.537 2.568 7.388 1.00 0.00 C ATOM 1920 CG ASN B 12 -15.758 2.552 8.287 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.834 2.111 7.883 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -15.597 3.037 9.513 1.00 0.00 N ATOM 0 H ASN B 12 -12.470 1.766 5.868 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.613 0.964 8.480 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -13.881 3.386 7.685 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.847 2.764 6.362 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -16.384 3.054 10.162 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.687 3.392 9.805 1.00 0.00 H new ATOM 1929 N LEU B 13 -14.243 -1.097 7.075 1.00 0.00 N ATOM 1930 CA LEU B 13 -14.929 -2.239 6.481 1.00 0.00 C ATOM 1931 C LEU B 13 -16.441 -2.045 6.514 1.00 0.00 C ATOM 1932 O LEU B 13 -16.940 -1.085 7.098 1.00 0.00 O ATOM 1933 CB LEU B 13 -14.552 -3.525 7.219 1.00 0.00 C ATOM 1934 CG LEU B 13 -14.518 -3.437 8.746 1.00 0.00 C ATOM 1935 CD1 LEU B 13 -14.871 -4.781 9.365 1.00 0.00 C ATOM 1936 CD2 LEU B 13 -13.151 -2.970 9.223 1.00 0.00 C ATOM 0 H LEU B 13 -13.523 -1.344 7.754 1.00 0.00 H new ATOM 0 HA LEU B 13 -14.615 -2.318 5.440 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -15.260 -4.304 6.936 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -13.570 -3.845 6.871 1.00 0.00 H new ATOM 0 HG LEU B 13 -15.261 -2.706 9.066 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -14.842 -4.700 10.452 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -15.872 -5.075 9.050 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -14.152 -5.532 9.038 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -13.145 -2.913 10.312 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -12.389 -3.676 8.892 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -12.937 -1.985 8.807 1.00 0.00 H new ATOM 1948 N GLN B 14 -17.165 -2.965 5.884 1.00 0.00 N ATOM 1949 CA GLN B 14 -18.621 -2.896 5.841 1.00 0.00 C ATOM 1950 C GLN B 14 -19.187 -2.527 7.210 1.00 0.00 C ATOM 1951 O GLN B 14 -20.260 -1.933 7.309 1.00 0.00 O ATOM 1952 CB GLN B 14 -19.203 -4.232 5.379 1.00 0.00 C ATOM 1953 CG GLN B 14 -18.785 -5.410 6.243 1.00 0.00 C ATOM 1954 CD GLN B 14 -19.672 -6.624 6.044 1.00 0.00 C ATOM 1955 OE1 GLN B 14 -20.452 -6.987 6.924 1.00 0.00 O ATOM 1956 NE2 GLN B 14 -19.556 -7.258 4.883 1.00 0.00 N ATOM 0 H GLN B 14 -16.767 -3.767 5.396 1.00 0.00 H new ATOM 0 HA GLN B 14 -18.903 -2.120 5.129 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -20.291 -4.163 5.375 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -18.892 -4.418 4.351 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -17.754 -5.677 6.013 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -18.811 -5.114 7.292 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -18.896 -6.922 4.182 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -20.127 -8.081 4.692 1.00 0.00 H new ATOM 1965 N LYS B 15 -18.458 -2.882 8.261 1.00 0.00 N ATOM 1966 CA LYS B 15 -18.885 -2.589 9.624 1.00 0.00 C ATOM 1967 C LYS B 15 -17.776 -1.891 10.405 1.00 0.00 C ATOM 1968 O LYS B 15 -18.032 -0.964 11.173 1.00 0.00 O ATOM 1969 CB LYS B 15 -19.295 -3.877 10.341 1.00 0.00 C ATOM 1970 CG LYS B 15 -18.244 -4.972 10.271 1.00 0.00 C ATOM 1971 CD LYS B 15 -18.850 -6.343 10.527 1.00 0.00 C ATOM 1972 CE LYS B 15 -17.781 -7.424 10.575 1.00 0.00 C ATOM 1973 NZ LYS B 15 -18.306 -8.699 11.135 1.00 0.00 N ATOM 0 H LYS B 15 -17.567 -3.374 8.196 1.00 0.00 H new ATOM 0 HA LYS B 15 -19.744 -1.920 9.572 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -19.503 -3.651 11.387 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -20.223 -4.247 9.904 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -17.770 -4.960 9.290 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -17.463 -4.775 11.005 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -19.398 -6.330 11.469 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -19.570 -6.576 9.743 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -17.397 -7.600 9.570 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -16.943 -7.079 11.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -17.547 -9.410 11.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -18.649 -8.538 12.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -19.089 -9.042 10.543 1.00 0.00 H new TER 1987 LYS B 15