USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1016 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 HIS : no HD1:sc= -10.1! C(o=-15!,f=-17!) USER MOD Set 1.2: A 126 GLN : amide:sc= -0.492 K(o=-15,f=-18!) USER MOD Set 1.3: A 129 LYS NZ :NH3+ 161:sc= -4.7! (180deg=-0.732) USER MOD Set 2.1: A 69 CYS SG : rot -10:sc= -4.56! USER MOD Set 2.2: A 107 ASN : amide:sc= -3.06! C(o=-7.6!,f=-14!) USER MOD Set 3.1: A 47 GLN : amide:sc= -1.11! X(o=-1.4!,f=-1) USER MOD Set 3.2: A 100 MET CE :methyl -154:sc= -0.276 (180deg=-1.69!) USER MOD Set 4.1: A 55 THR OG1 : rot 180:sc= 0.00137 USER MOD Set 4.2: A 56 GLN : amide:sc= -3.58! C(o=-3.6!,f=-8.8!) USER MOD Set 5.1: A 52 ASN : amide:sc= -2.97! C(o=-3.9!,f=-14!) USER MOD Set 5.2: A 54 THR OG1 : rot 16:sc= -0.0227 USER MOD Set 5.3: A 59 MET CE :methyl 164:sc= -0.91 (180deg=0) USER MOD Set 6.1: A 44 LYS NZ :NH3+ -130:sc= -7.87! (180deg=-4.45!) USER MOD Set 6.2: A 45 LYS NZ :NH3+ -165:sc= -4.39! (180deg=-0.513) USER MOD Set 7.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 98 THR OG1 : rot -110:sc= 0.609 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 CYS SG : rot -43:sc= 0.0934 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0954 USER MOD Single : A 7 SER OG : rot 180:sc= -0.498 USER MOD Single : A 9 ASN : amide:sc= -0.329 K(o=-0.33,f=-1.6!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -48:sc= 1.2 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.74 F(o=-6.2!,f=-2.7) USER MOD Single : A 27 THR OG1 : rot -130:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= -0.0807 (180deg=-0.528) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -1.8! F(o=-3,f=-1.8!) USER MOD Single : A 42 ASN : amide:sc= -1.65 K(o=-1.7,f=-5.5!) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.144 (180deg=-0.797) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 140:sc=0.000423 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -5.16! C(o=-5.2!,f=-8.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.17) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 140:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.4!) USER MOD Single : A 82 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.3) USER MOD Single : A 84 ASN :FLIP amide:sc= -7.05! C(o=-13!,f=-7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 177:sc= -2.41! USER MOD Single : A 96 CYS SG : rot 180:sc= -0.154 USER MOD Single : A 110 LYS NZ :NH3+ -110:sc= -2.29 (180deg=-5.01!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.234) USER MOD Single : A 113 MET CE :methyl -168:sc= -0.293 (180deg=-0.797) USER MOD Single : A 119 SER OG : rot 180:sc= 0.328 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.19) USER MOD Single : A 131 LYS NZ :NH3+ 157:sc= -0.0716 (180deg=-0.617) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.926 -19.208 23.562 1.00 0.00 N ATOM 2 CA MET A 1 -7.115 -18.359 24.479 1.00 0.00 C ATOM 3 C MET A 1 -5.646 -18.444 24.081 1.00 0.00 C ATOM 4 O MET A 1 -5.028 -19.504 24.176 1.00 0.00 O ATOM 5 CB MET A 1 -7.297 -18.848 25.917 1.00 0.00 C ATOM 6 CG MET A 1 -6.604 -17.881 26.878 1.00 0.00 C ATOM 7 SD MET A 1 -6.717 -18.522 28.567 1.00 0.00 S ATOM 8 CE MET A 1 -5.937 -17.116 29.397 1.00 0.00 C ATOM 0 H1 MET A 1 -8.929 -19.151 23.832 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.811 -18.871 22.585 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.605 -20.195 23.628 1.00 0.00 H new ATOM 0 HA MET A 1 -7.444 -17.322 24.409 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.358 -18.917 26.157 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.879 -19.849 26.027 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.559 -17.756 26.594 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.070 -16.897 26.819 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.901 -17.301 30.471 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.924 -16.986 29.017 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.516 -16.213 29.204 1.00 0.00 H new ATOM 18 N GLY A 2 -5.091 -17.320 23.638 1.00 0.00 N ATOM 19 CA GLY A 2 -3.692 -17.280 23.229 1.00 0.00 C ATOM 20 C GLY A 2 -3.535 -17.736 21.783 1.00 0.00 C ATOM 21 O GLY A 2 -2.430 -18.047 21.338 1.00 0.00 O ATOM 0 H GLY A 2 -5.584 -16.431 23.554 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.306 -16.267 23.339 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.099 -17.920 23.883 1.00 0.00 H new ATOM 25 N CYS A 3 -4.646 -17.775 21.055 1.00 0.00 N ATOM 26 CA CYS A 3 -4.618 -18.195 19.659 1.00 0.00 C ATOM 27 C CYS A 3 -4.284 -17.017 18.751 1.00 0.00 C ATOM 28 O CYS A 3 -5.083 -16.093 18.596 1.00 0.00 O ATOM 29 CB CYS A 3 -5.976 -18.778 19.263 1.00 0.00 C ATOM 30 SG CYS A 3 -5.920 -19.318 17.536 1.00 0.00 S ATOM 0 H CYS A 3 -5.570 -17.523 21.405 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.847 -18.957 19.544 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.226 -19.619 19.910 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.758 -18.030 19.396 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.317 -18.417 16.819 1.00 0.00 H new ATOM 36 N GLY A 4 -3.098 -17.055 18.152 1.00 0.00 N ATOM 37 CA GLY A 4 -2.668 -15.985 17.261 1.00 0.00 C ATOM 38 C GLY A 4 -3.172 -16.222 15.841 1.00 0.00 C ATOM 39 O GLY A 4 -4.006 -17.096 15.606 1.00 0.00 O ATOM 0 H GLY A 4 -2.422 -17.810 18.267 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.041 -15.029 17.628 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.580 -15.923 17.259 1.00 0.00 H new ATOM 43 N ALA A 5 -2.659 -15.438 14.898 1.00 0.00 N ATOM 44 CA ALA A 5 -3.065 -15.572 13.504 1.00 0.00 C ATOM 45 C ALA A 5 -2.669 -16.942 12.960 1.00 0.00 C ATOM 46 O ALA A 5 -3.113 -17.345 11.885 1.00 0.00 O ATOM 47 CB ALA A 5 -2.410 -14.477 12.661 1.00 0.00 C ATOM 0 H ALA A 5 -1.967 -14.709 15.072 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.149 -15.471 13.450 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.719 -14.585 11.621 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.718 -13.499 13.032 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.326 -14.565 12.729 1.00 0.00 H new ATOM 53 N SER A 6 -1.831 -17.650 13.709 1.00 0.00 N ATOM 54 CA SER A 6 -1.381 -18.973 13.291 1.00 0.00 C ATOM 55 C SER A 6 -0.468 -18.870 12.074 1.00 0.00 C ATOM 56 O SER A 6 -0.934 -18.686 10.950 1.00 0.00 O ATOM 57 CB SER A 6 -2.586 -19.850 12.954 1.00 0.00 C ATOM 58 OG SER A 6 -3.650 -19.551 13.848 1.00 0.00 O ATOM 0 H SER A 6 -1.452 -17.334 14.602 1.00 0.00 H new ATOM 0 HA SER A 6 -0.822 -19.422 14.112 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.901 -19.676 11.925 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.316 -20.903 13.031 1.00 0.00 H new ATOM 0 HG SER A 6 -4.425 -20.111 13.633 1.00 0.00 H new ATOM 64 N SER A 7 0.835 -18.991 12.307 1.00 0.00 N ATOM 65 CA SER A 7 1.806 -18.909 11.222 1.00 0.00 C ATOM 66 C SER A 7 1.582 -17.645 10.397 1.00 0.00 C ATOM 67 O SER A 7 0.601 -16.928 10.596 1.00 0.00 O ATOM 68 CB SER A 7 1.685 -20.137 10.320 1.00 0.00 C ATOM 69 OG SER A 7 2.546 -19.983 9.198 1.00 0.00 O ATOM 0 H SER A 7 1.241 -19.145 13.230 1.00 0.00 H new ATOM 0 HA SER A 7 2.805 -18.874 11.656 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.949 -21.037 10.875 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.654 -20.258 9.988 1.00 0.00 H new ATOM 0 HG SER A 7 2.472 -20.770 8.618 1.00 0.00 H new ATOM 75 N GLU A 8 2.497 -17.379 9.472 1.00 0.00 N ATOM 76 CA GLU A 8 2.390 -16.198 8.621 1.00 0.00 C ATOM 77 C GLU A 8 3.231 -16.367 7.361 1.00 0.00 C ATOM 78 O GLU A 8 4.229 -15.672 7.172 1.00 0.00 O ATOM 79 CB GLU A 8 2.857 -14.959 9.388 1.00 0.00 C ATOM 80 CG GLU A 8 2.499 -13.702 8.592 1.00 0.00 C ATOM 81 CD GLU A 8 3.066 -12.468 9.285 1.00 0.00 C ATOM 82 OE1 GLU A 8 3.695 -12.629 10.318 1.00 0.00 O ATOM 83 OE2 GLU A 8 2.863 -11.379 8.774 1.00 0.00 O ATOM 0 H GLU A 8 3.316 -17.960 9.292 1.00 0.00 H new ATOM 0 HA GLU A 8 1.346 -16.074 8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.386 -14.927 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.934 -15.004 9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.897 -13.776 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.416 -13.614 8.503 1.00 0.00 H new ATOM 90 N ASN A 9 2.821 -17.293 6.500 1.00 0.00 N ATOM 91 CA ASN A 9 3.545 -17.544 5.260 1.00 0.00 C ATOM 92 C ASN A 9 3.621 -16.274 4.418 1.00 0.00 C ATOM 93 O ASN A 9 4.640 -15.998 3.784 1.00 0.00 O ATOM 94 CB ASN A 9 2.848 -18.647 4.461 1.00 0.00 C ATOM 95 CG ASN A 9 3.757 -19.130 3.336 1.00 0.00 C ATOM 96 OD1 ASN A 9 4.833 -18.572 3.124 1.00 0.00 O ATOM 97 ND2 ASN A 9 3.386 -20.141 2.599 1.00 0.00 N ATOM 0 H ASN A 9 1.997 -17.878 6.637 1.00 0.00 H new ATOM 0 HA ASN A 9 4.557 -17.862 5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.595 -19.479 5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.912 -18.272 4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.989 -20.471 1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.494 -20.602 2.777 1.00 0.00 H new ATOM 104 N SER A 10 2.538 -15.506 4.416 1.00 0.00 N ATOM 105 CA SER A 10 2.493 -14.267 3.647 1.00 0.00 C ATOM 106 C SER A 10 1.581 -13.248 4.324 1.00 0.00 C ATOM 107 O SER A 10 0.623 -13.614 5.006 1.00 0.00 O ATOM 108 CB SER A 10 1.983 -14.549 2.234 1.00 0.00 C ATOM 109 OG SER A 10 2.120 -13.375 1.443 1.00 0.00 O ATOM 0 H SER A 10 1.685 -15.716 4.934 1.00 0.00 H new ATOM 0 HA SER A 10 3.502 -13.857 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.546 -15.369 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.939 -14.860 2.267 1.00 0.00 H new ATOM 0 HG SER A 10 1.796 -13.552 0.535 1.00 0.00 H new ATOM 115 N SER A 11 1.885 -11.970 4.131 1.00 0.00 N ATOM 116 CA SER A 11 1.086 -10.905 4.727 1.00 0.00 C ATOM 117 C SER A 11 1.051 -9.685 3.811 1.00 0.00 C ATOM 118 O SER A 11 0.739 -8.578 4.248 1.00 0.00 O ATOM 119 CB SER A 11 1.671 -10.511 6.083 1.00 0.00 C ATOM 120 OG SER A 11 0.870 -9.489 6.661 1.00 0.00 O ATOM 0 H SER A 11 2.673 -11.647 3.570 1.00 0.00 H new ATOM 0 HA SER A 11 0.069 -11.272 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.706 -11.378 6.743 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.696 -10.161 5.962 1.00 0.00 H new ATOM 0 HG SER A 11 0.708 -8.786 5.998 1.00 0.00 H new ATOM 126 N VAL A 12 1.371 -9.897 2.539 1.00 0.00 N ATOM 127 CA VAL A 12 1.371 -8.808 1.570 1.00 0.00 C ATOM 128 C VAL A 12 0.933 -9.310 0.199 1.00 0.00 C ATOM 129 O VAL A 12 1.375 -10.366 -0.256 1.00 0.00 O ATOM 130 CB VAL A 12 2.770 -8.196 1.469 1.00 0.00 C ATOM 131 CG1 VAL A 12 2.684 -6.830 0.788 1.00 0.00 C ATOM 132 CG2 VAL A 12 3.354 -8.030 2.873 1.00 0.00 C ATOM 0 H VAL A 12 1.632 -10.806 2.157 1.00 0.00 H new ATOM 0 HA VAL A 12 0.667 -8.048 1.908 1.00 0.00 H new ATOM 0 HB VAL A 12 3.412 -8.853 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.681 -6.395 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.267 -6.948 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.042 -6.171 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.351 -7.594 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.711 -7.373 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.417 -9.004 3.358 1.00 0.00 H new ATOM 142 N THR A 13 0.062 -8.550 -0.456 1.00 0.00 N ATOM 143 CA THR A 13 -0.430 -8.931 -1.774 1.00 0.00 C ATOM 144 C THR A 13 -0.242 -7.792 -2.770 1.00 0.00 C ATOM 145 O THR A 13 -0.379 -6.619 -2.421 1.00 0.00 O ATOM 146 CB THR A 13 -1.914 -9.298 -1.690 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.145 -10.070 -0.521 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.312 -10.108 -2.925 1.00 0.00 C ATOM 0 H THR A 13 -0.316 -7.672 -0.099 1.00 0.00 H new ATOM 0 HA THR A 13 0.141 -9.794 -2.117 1.00 0.00 H new ATOM 0 HB THR A 13 -2.511 -8.387 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.095 -10.304 -0.466 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.369 -10.369 -2.864 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.136 -9.514 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.716 -11.019 -2.970 1.00 0.00 H new ATOM 156 N TYR A 14 0.070 -8.145 -4.012 1.00 0.00 N ATOM 157 CA TYR A 14 0.273 -7.144 -5.054 1.00 0.00 C ATOM 158 C TYR A 14 -0.798 -7.271 -6.132 1.00 0.00 C ATOM 159 O TYR A 14 -1.460 -8.304 -6.243 1.00 0.00 O ATOM 160 CB TYR A 14 1.657 -7.317 -5.683 1.00 0.00 C ATOM 161 CG TYR A 14 2.716 -7.188 -4.615 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.227 -5.927 -4.286 1.00 0.00 C ATOM 163 CD2 TYR A 14 3.187 -8.328 -3.954 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.210 -5.806 -3.296 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.170 -8.208 -2.964 1.00 0.00 C ATOM 166 CZ TYR A 14 4.681 -6.946 -2.635 1.00 0.00 C ATOM 167 OH TYR A 14 5.650 -6.827 -1.659 1.00 0.00 O ATOM 0 H TYR A 14 0.187 -9.110 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 14 0.202 -6.155 -4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.729 -8.292 -6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.813 -6.566 -6.457 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.863 -5.047 -4.796 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.792 -9.301 -4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.605 -4.833 -3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.534 -9.088 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 14 5.864 -7.714 -1.300 1.00 0.00 H new ATOM 177 N VAL A 15 -0.964 -6.217 -6.923 1.00 0.00 N ATOM 178 CA VAL A 15 -1.971 -6.219 -7.978 1.00 0.00 C ATOM 179 C VAL A 15 -1.449 -5.504 -9.220 1.00 0.00 C ATOM 180 O VAL A 15 -1.503 -6.043 -10.326 1.00 0.00 O ATOM 181 CB VAL A 15 -3.244 -5.526 -7.487 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.881 -4.475 -6.437 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.941 -4.847 -8.668 1.00 0.00 C ATOM 0 H VAL A 15 -0.420 -5.357 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.196 -7.254 -8.236 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.913 -6.265 -7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.788 -3.982 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.383 -4.958 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.213 -3.736 -6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.848 -4.353 -8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.272 -4.108 -9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.200 -5.595 -9.417 1.00 0.00 H new ATOM 193 N ASN A 16 -0.946 -4.290 -9.031 1.00 0.00 N ATOM 194 CA ASN A 16 -0.438 -3.501 -10.148 1.00 0.00 C ATOM 195 C ASN A 16 0.984 -3.921 -10.501 1.00 0.00 C ATOM 196 O ASN A 16 1.612 -3.339 -11.386 1.00 0.00 O ATOM 197 CB ASN A 16 -0.459 -2.015 -9.788 1.00 0.00 C ATOM 198 CG ASN A 16 -1.879 -1.584 -9.432 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.092 -0.919 -8.331 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.817 -1.862 -10.179 1.00 0.00 N flip ATOM 0 H ASN A 16 -0.879 -3.832 -8.122 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.079 -3.675 -11.012 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.209 -1.827 -8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.090 -1.424 -10.626 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.647 -2.382 -11.040 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.765 -1.572 -9.937 1.00 0.00 H new ATOM 207 N GLY A 17 1.488 -4.935 -9.805 1.00 0.00 N ATOM 208 CA GLY A 17 2.835 -5.431 -10.062 1.00 0.00 C ATOM 209 C GLY A 17 3.662 -5.453 -8.781 1.00 0.00 C ATOM 210 O GLY A 17 3.308 -4.808 -7.793 1.00 0.00 O ATOM 0 H GLY A 17 0.988 -5.426 -9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.783 -6.435 -10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.324 -4.800 -10.804 1.00 0.00 H new ATOM 214 N ARG A 18 4.763 -6.196 -8.805 1.00 0.00 N ATOM 215 CA ARG A 18 5.632 -6.295 -7.639 1.00 0.00 C ATOM 216 C ARG A 18 6.729 -5.235 -7.699 1.00 0.00 C ATOM 217 O ARG A 18 7.294 -4.970 -8.760 1.00 0.00 O ATOM 218 CB ARG A 18 6.266 -7.685 -7.576 1.00 0.00 C ATOM 219 CG ARG A 18 5.297 -8.715 -8.161 1.00 0.00 C ATOM 220 CD ARG A 18 3.972 -8.661 -7.398 1.00 0.00 C ATOM 221 NE ARG A 18 3.237 -9.907 -7.576 1.00 0.00 N ATOM 222 CZ ARG A 18 2.726 -10.242 -8.756 1.00 0.00 C ATOM 223 NH1 ARG A 18 2.879 -9.449 -9.781 1.00 0.00 N ATOM 224 NH2 ARG A 18 2.071 -11.363 -8.890 1.00 0.00 N ATOM 0 H ARG A 18 5.073 -6.735 -9.613 1.00 0.00 H new ATOM 0 HA ARG A 18 5.030 -6.131 -6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.203 -7.694 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.506 -7.941 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.128 -8.512 -9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.727 -9.714 -8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.161 -8.490 -6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.373 -7.823 -7.754 1.00 0.00 H new ATOM 0 HE ARG A 18 3.113 -10.533 -6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.391 -8.573 -9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.487 -9.705 -10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.951 -11.983 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.679 -11.619 -9.796 1.00 0.00 H new ATOM 238 N PRO A 19 7.031 -4.630 -6.582 1.00 0.00 N ATOM 239 CA PRO A 19 8.086 -3.582 -6.491 1.00 0.00 C ATOM 240 C PRO A 19 9.356 -3.976 -7.240 1.00 0.00 C ATOM 241 O PRO A 19 9.751 -5.142 -7.242 1.00 0.00 O ATOM 242 CB PRO A 19 8.348 -3.467 -4.990 1.00 0.00 C ATOM 243 CG PRO A 19 7.073 -3.878 -4.329 1.00 0.00 C ATOM 244 CD PRO A 19 6.376 -4.863 -5.272 1.00 0.00 C ATOM 0 HA PRO A 19 7.773 -2.643 -6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.173 -4.111 -4.685 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.621 -2.448 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.272 -4.344 -3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.440 -3.011 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.504 -5.893 -4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.303 -4.676 -5.323 1.00 0.00 H new ATOM 252 N THR A 20 9.991 -2.996 -7.874 1.00 0.00 N ATOM 253 CA THR A 20 11.226 -3.246 -8.607 1.00 0.00 C ATOM 254 C THR A 20 12.386 -3.474 -7.641 1.00 0.00 C ATOM 255 O THR A 20 13.329 -4.202 -7.948 1.00 0.00 O ATOM 256 CB THR A 20 11.545 -2.057 -9.517 1.00 0.00 C ATOM 257 OG1 THR A 20 10.422 -1.784 -10.345 1.00 0.00 O ATOM 258 CG2 THR A 20 12.756 -2.389 -10.389 1.00 0.00 C ATOM 0 H THR A 20 9.673 -2.027 -7.895 1.00 0.00 H new ATOM 0 HA THR A 20 11.090 -4.141 -9.214 1.00 0.00 H new ATOM 0 HB THR A 20 11.770 -1.182 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.623 -1.022 -10.928 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.982 -1.541 -11.036 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.616 -2.599 -9.753 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.535 -3.264 -11.001 1.00 0.00 H new ATOM 266 N PHE A 21 12.307 -2.845 -6.473 1.00 0.00 N ATOM 267 CA PHE A 21 13.354 -2.986 -5.467 1.00 0.00 C ATOM 268 C PHE A 21 13.001 -4.093 -4.479 1.00 0.00 C ATOM 269 O PHE A 21 11.842 -4.249 -4.096 1.00 0.00 O ATOM 270 CB PHE A 21 13.535 -1.666 -4.716 1.00 0.00 C ATOM 271 CG PHE A 21 14.643 -1.810 -3.701 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.980 -1.774 -4.114 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.334 -1.982 -2.346 1.00 0.00 C ATOM 274 CE1 PHE A 21 17.008 -1.909 -3.174 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.362 -2.117 -1.405 1.00 0.00 C ATOM 276 CZ PHE A 21 16.699 -2.081 -1.819 1.00 0.00 C ATOM 0 H PHE A 21 11.535 -2.237 -6.201 1.00 0.00 H new ATOM 0 HA PHE A 21 14.285 -3.248 -5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.772 -0.866 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.606 -1.388 -4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.218 -1.642 -5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.303 -2.011 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.039 -1.881 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.124 -2.249 -0.360 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.492 -2.186 -1.093 1.00 0.00 H new ATOM 286 N VAL A 22 14.007 -4.860 -4.072 1.00 0.00 N ATOM 287 CA VAL A 22 13.791 -5.946 -3.123 1.00 0.00 C ATOM 288 C VAL A 22 14.410 -5.608 -1.771 1.00 0.00 C ATOM 289 O VAL A 22 15.276 -4.740 -1.673 1.00 0.00 O ATOM 290 CB VAL A 22 14.409 -7.238 -3.659 1.00 0.00 C ATOM 291 CG1 VAL A 22 13.302 -8.167 -4.160 1.00 0.00 C ATOM 292 CG2 VAL A 22 15.356 -6.908 -4.815 1.00 0.00 C ATOM 0 H VAL A 22 14.973 -4.751 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 22 12.717 -6.082 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 22 14.964 -7.732 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.744 -9.087 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.626 -8.403 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.746 -7.674 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.797 -7.828 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.800 -6.414 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.147 -6.247 -4.460 1.00 0.00 H new ATOM 302 N GLY A 23 13.958 -6.298 -0.729 1.00 0.00 N ATOM 303 CA GLY A 23 14.473 -6.060 0.614 1.00 0.00 C ATOM 304 C GLY A 23 14.196 -7.253 1.524 1.00 0.00 C ATOM 305 O GLY A 23 14.419 -8.401 1.142 1.00 0.00 O ATOM 0 H GLY A 23 13.241 -7.021 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.546 -5.874 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.012 -5.165 1.031 1.00 0.00 H new ATOM 309 N GLU A 24 13.709 -6.973 2.728 1.00 0.00 N ATOM 310 CA GLU A 24 13.412 -8.032 3.686 1.00 0.00 C ATOM 311 C GLU A 24 12.074 -7.775 4.373 1.00 0.00 C ATOM 312 O GLU A 24 11.092 -8.474 4.121 1.00 0.00 O ATOM 313 CB GLU A 24 14.521 -8.111 4.737 1.00 0.00 C ATOM 314 CG GLU A 24 15.850 -8.439 4.054 1.00 0.00 C ATOM 315 CD GLU A 24 15.789 -9.830 3.434 1.00 0.00 C ATOM 316 OE1 GLU A 24 14.924 -10.595 3.827 1.00 0.00 O ATOM 317 OE2 GLU A 24 16.610 -10.110 2.575 1.00 0.00 O ATOM 0 H GLU A 24 13.513 -6.029 3.062 1.00 0.00 H new ATOM 0 HA GLU A 24 13.354 -8.978 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.599 -7.164 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.282 -8.875 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.065 -7.698 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.662 -8.390 4.779 1.00 0.00 H new ATOM 324 N GLU A 25 12.044 -6.768 5.239 1.00 0.00 N ATOM 325 CA GLU A 25 10.818 -6.425 5.952 1.00 0.00 C ATOM 326 C GLU A 25 9.919 -5.554 5.081 1.00 0.00 C ATOM 327 O GLU A 25 10.354 -4.535 4.545 1.00 0.00 O ATOM 328 CB GLU A 25 11.156 -5.679 7.244 1.00 0.00 C ATOM 329 CG GLU A 25 9.895 -5.538 8.097 1.00 0.00 C ATOM 330 CD GLU A 25 9.471 -6.902 8.630 1.00 0.00 C ATOM 331 OE1 GLU A 25 10.323 -7.770 8.725 1.00 0.00 O ATOM 332 OE2 GLU A 25 8.300 -7.059 8.935 1.00 0.00 O ATOM 0 H GLU A 25 12.846 -6.179 5.463 1.00 0.00 H new ATOM 0 HA GLU A 25 10.290 -7.348 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.924 -6.219 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.563 -4.695 7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.082 -4.856 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.091 -5.104 7.503 1.00 0.00 H new ATOM 339 N VAL A 26 8.661 -5.962 4.944 1.00 0.00 N ATOM 340 CA VAL A 26 7.710 -5.214 4.131 1.00 0.00 C ATOM 341 C VAL A 26 6.524 -4.759 4.977 1.00 0.00 C ATOM 342 O VAL A 26 5.977 -5.532 5.763 1.00 0.00 O ATOM 343 CB VAL A 26 7.212 -6.083 2.977 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.619 -5.191 1.885 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.383 -6.883 2.400 1.00 0.00 C ATOM 0 H VAL A 26 8.279 -6.800 5.382 1.00 0.00 H new ATOM 0 HA VAL A 26 8.215 -4.335 3.731 1.00 0.00 H new ATOM 0 HB VAL A 26 6.447 -6.768 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.264 -5.811 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.786 -4.619 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.384 -4.506 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.029 -7.503 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.147 -6.197 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.807 -7.519 3.177 1.00 0.00 H new ATOM 355 N THR A 27 6.133 -3.500 4.809 1.00 0.00 N ATOM 356 CA THR A 27 5.013 -2.951 5.563 1.00 0.00 C ATOM 357 C THR A 27 4.143 -2.075 4.667 1.00 0.00 C ATOM 358 O THR A 27 4.507 -1.783 3.527 1.00 0.00 O ATOM 359 CB THR A 27 5.533 -2.124 6.741 1.00 0.00 C ATOM 360 OG1 THR A 27 6.868 -2.511 7.036 1.00 0.00 O ATOM 361 CG2 THR A 27 4.648 -2.362 7.966 1.00 0.00 C ATOM 0 H THR A 27 6.572 -2.845 4.162 1.00 0.00 H new ATOM 0 HA THR A 27 4.410 -3.778 5.938 1.00 0.00 H new ATOM 0 HB THR A 27 5.510 -1.066 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.952 -2.691 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.020 -1.772 8.804 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.624 -2.064 7.739 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.668 -3.419 8.230 1.00 0.00 H new ATOM 369 N LYS A 28 2.994 -1.659 5.188 1.00 0.00 N ATOM 370 CA LYS A 28 2.082 -0.817 4.423 1.00 0.00 C ATOM 371 C LYS A 28 1.683 0.413 5.232 1.00 0.00 C ATOM 372 O LYS A 28 1.448 0.327 6.437 1.00 0.00 O ATOM 373 CB LYS A 28 0.829 -1.612 4.047 1.00 0.00 C ATOM 374 CG LYS A 28 0.454 -2.548 5.197 1.00 0.00 C ATOM 375 CD LYS A 28 1.063 -3.930 4.950 1.00 0.00 C ATOM 376 CE LYS A 28 0.789 -4.832 6.154 1.00 0.00 C ATOM 377 NZ LYS A 28 1.533 -4.319 7.339 1.00 0.00 N ATOM 0 H LYS A 28 2.674 -1.889 6.129 1.00 0.00 H new ATOM 0 HA LYS A 28 2.591 -0.492 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.004 -0.932 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.010 -2.188 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.816 -2.143 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.630 -2.626 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.638 -4.370 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.137 -3.842 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.280 -4.859 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.096 -5.854 5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.661 -5.088 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.463 -3.965 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.994 -3.546 7.779 1.00 0.00 H new ATOM 391 N GLY A 29 1.609 1.558 4.560 1.00 0.00 N ATOM 392 CA GLY A 29 1.234 2.800 5.225 1.00 0.00 C ATOM 393 C GLY A 29 -0.263 2.836 5.509 1.00 0.00 C ATOM 394 O GLY A 29 -0.691 2.720 6.657 1.00 0.00 O ATOM 0 H GLY A 29 1.802 1.651 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.788 2.898 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.510 3.649 4.600 1.00 0.00 H new ATOM 398 N PHE A 30 -1.056 3.000 4.455 1.00 0.00 N ATOM 399 CA PHE A 30 -2.506 3.047 4.601 1.00 0.00 C ATOM 400 C PHE A 30 -3.088 1.637 4.648 1.00 0.00 C ATOM 401 O PHE A 30 -2.871 0.836 3.740 1.00 0.00 O ATOM 402 CB PHE A 30 -3.124 3.818 3.434 1.00 0.00 C ATOM 403 CG PHE A 30 -2.712 5.269 3.515 1.00 0.00 C ATOM 404 CD1 PHE A 30 -3.174 6.069 4.566 1.00 0.00 C ATOM 405 CD2 PHE A 30 -1.867 5.812 2.539 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.792 7.414 4.642 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.485 7.157 2.615 1.00 0.00 C ATOM 408 CZ PHE A 30 -1.947 7.957 3.666 1.00 0.00 C ATOM 0 H PHE A 30 -0.722 3.102 3.497 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.741 3.555 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.798 3.388 2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.210 3.735 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.825 5.649 5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.510 5.194 1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.149 8.032 5.453 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.834 7.577 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.652 8.994 3.725 1.00 0.00 H new ATOM 418 N GLU A 31 -3.827 1.344 5.712 1.00 0.00 N ATOM 419 CA GLU A 31 -4.440 0.030 5.867 1.00 0.00 C ATOM 420 C GLU A 31 -5.573 -0.154 4.863 1.00 0.00 C ATOM 421 O GLU A 31 -5.893 -1.278 4.474 1.00 0.00 O ATOM 422 CB GLU A 31 -4.983 -0.129 7.288 1.00 0.00 C ATOM 423 CG GLU A 31 -3.823 -0.100 8.285 1.00 0.00 C ATOM 424 CD GLU A 31 -2.939 -1.328 8.091 1.00 0.00 C ATOM 425 OE1 GLU A 31 -3.405 -2.279 7.486 1.00 0.00 O ATOM 426 OE2 GLU A 31 -1.810 -1.298 8.552 1.00 0.00 O ATOM 0 H GLU A 31 -4.015 1.994 6.475 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.680 -0.729 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.688 0.672 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.529 -1.068 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.235 0.807 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.209 -0.077 9.304 1.00 0.00 H new ATOM 433 N LYS A 32 -6.175 0.955 4.446 1.00 0.00 N ATOM 434 CA LYS A 32 -7.275 0.902 3.490 1.00 0.00 C ATOM 435 C LYS A 32 -6.821 0.250 2.187 1.00 0.00 C ATOM 436 O LYS A 32 -5.638 0.271 1.851 1.00 0.00 O ATOM 437 CB LYS A 32 -7.787 2.314 3.204 1.00 0.00 C ATOM 438 CG LYS A 32 -9.191 2.237 2.601 1.00 0.00 C ATOM 439 CD LYS A 32 -9.556 3.587 1.981 1.00 0.00 C ATOM 440 CE LYS A 32 -9.676 4.640 3.083 1.00 0.00 C ATOM 441 NZ LYS A 32 -10.371 5.844 2.546 1.00 0.00 N ATOM 0 H LYS A 32 -5.922 1.895 4.752 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.078 0.305 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.807 2.898 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.112 2.824 2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.230 1.455 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.915 1.971 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.795 3.885 1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.497 3.506 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.230 4.234 3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.686 4.912 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.453 6.561 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.825 6.234 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.321 5.578 2.216 1.00 0.00 H new ATOM 455 N ASP A 33 -7.771 -0.329 1.460 1.00 0.00 N ATOM 456 CA ASP A 33 -7.457 -0.983 0.194 1.00 0.00 C ATOM 457 C ASP A 33 -6.516 -2.162 0.420 1.00 0.00 C ATOM 458 O ASP A 33 -6.604 -2.851 1.436 1.00 0.00 O ATOM 459 CB ASP A 33 -6.804 0.017 -0.762 1.00 0.00 C ATOM 460 CG ASP A 33 -6.881 -0.503 -2.193 1.00 0.00 C ATOM 461 OD1 ASP A 33 -7.446 -1.567 -2.386 1.00 0.00 O ATOM 462 OD2 ASP A 33 -6.372 0.169 -3.075 1.00 0.00 O ATOM 0 H ASP A 33 -8.756 -0.359 1.722 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.385 -1.351 -0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.305 0.982 -0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.763 0.176 -0.480 1.00 0.00 H new ATOM 467 N ASN A 34 -5.618 -2.388 -0.533 1.00 0.00 N ATOM 468 CA ASN A 34 -4.672 -3.493 -0.430 1.00 0.00 C ATOM 469 C ASN A 34 -3.362 -3.019 0.193 1.00 0.00 C ATOM 470 O ASN A 34 -2.391 -3.772 0.267 1.00 0.00 O ATOM 471 CB ASN A 34 -4.397 -4.078 -1.815 1.00 0.00 C ATOM 472 CG ASN A 34 -3.683 -5.419 -1.684 1.00 0.00 C ATOM 473 OD1 ASN A 34 -4.365 -6.481 -1.352 1.00 0.00 O flip ATOM 474 ND2 ASN A 34 -2.473 -5.501 -1.889 1.00 0.00 N flip ATOM 0 H ASN A 34 -5.525 -1.826 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.109 -4.262 0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.334 -4.207 -2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.786 -3.387 -2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.942 -4.670 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.000 -6.400 -1.800 1.00 0.00 H new ATOM 481 N GLY A 35 -3.344 -1.768 0.642 1.00 0.00 N ATOM 482 CA GLY A 35 -2.147 -1.203 1.253 1.00 0.00 C ATOM 483 C GLY A 35 -1.636 -0.012 0.450 1.00 0.00 C ATOM 484 O GLY A 35 -0.892 0.823 0.965 1.00 0.00 O ATOM 0 H GLY A 35 -4.139 -1.130 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.368 -0.891 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.371 -1.966 1.314 1.00 0.00 H new ATOM 488 N LEU A 36 -2.040 0.060 -0.814 1.00 0.00 N ATOM 489 CA LEU A 36 -1.620 1.155 -1.678 1.00 0.00 C ATOM 490 C LEU A 36 -0.098 1.210 -1.776 1.00 0.00 C ATOM 491 O LEU A 36 0.486 0.754 -2.761 1.00 0.00 O ATOM 492 CB LEU A 36 -2.145 2.483 -1.130 1.00 0.00 C ATOM 493 CG LEU A 36 -3.635 2.351 -0.812 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.183 3.707 -0.362 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.384 1.891 -2.064 1.00 0.00 C ATOM 0 H LEU A 36 -2.653 -0.622 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.030 0.984 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.594 2.761 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.987 3.277 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.773 1.620 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.245 3.613 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.650 4.037 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.045 4.438 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.446 1.797 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.246 2.623 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.994 0.926 -2.387 1.00 0.00 H new ATOM 507 N LEU A 37 0.537 1.769 -0.752 1.00 0.00 N ATOM 508 CA LEU A 37 1.991 1.884 -0.739 1.00 0.00 C ATOM 509 C LEU A 37 2.600 0.882 0.237 1.00 0.00 C ATOM 510 O LEU A 37 2.193 0.804 1.396 1.00 0.00 O ATOM 511 CB LEU A 37 2.400 3.303 -0.337 1.00 0.00 C ATOM 512 CG LEU A 37 3.921 3.440 -0.426 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.332 3.652 -1.884 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.376 4.638 0.410 1.00 0.00 C ATOM 0 H LEU A 37 0.073 2.147 0.074 1.00 0.00 H new ATOM 0 HA LEU A 37 2.362 1.669 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.920 4.030 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.064 3.516 0.678 1.00 0.00 H new ATOM 0 HG LEU A 37 4.388 2.532 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.416 3.749 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.010 2.799 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.864 4.559 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.460 4.735 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.907 5.546 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.086 4.487 1.450 1.00 0.00 H new ATOM 526 N PHE A 38 3.579 0.121 -0.241 1.00 0.00 N ATOM 527 CA PHE A 38 4.246 -0.865 0.602 1.00 0.00 C ATOM 528 C PHE A 38 5.653 -0.399 0.959 1.00 0.00 C ATOM 529 O PHE A 38 6.465 -0.113 0.079 1.00 0.00 O ATOM 530 CB PHE A 38 4.321 -2.209 -0.126 1.00 0.00 C ATOM 531 CG PHE A 38 2.926 -2.679 -0.459 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.137 -3.286 0.527 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.420 -2.508 -1.752 1.00 0.00 C ATOM 534 CE1 PHE A 38 0.844 -3.722 0.218 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.126 -2.945 -2.061 1.00 0.00 C ATOM 536 CZ PHE A 38 0.338 -3.551 -1.076 1.00 0.00 C ATOM 0 H PHE A 38 3.926 0.167 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 38 3.670 -0.981 1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.910 -2.109 -1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.825 -2.946 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.527 -3.417 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.027 -2.039 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.236 -4.191 0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.736 -2.814 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.660 -3.887 -1.314 1.00 0.00 H new ATOM 546 N ARG A 39 5.935 -0.322 2.256 1.00 0.00 N ATOM 547 CA ARG A 39 7.249 0.110 2.717 1.00 0.00 C ATOM 548 C ARG A 39 8.248 -1.040 2.647 1.00 0.00 C ATOM 549 O ARG A 39 8.039 -2.095 3.244 1.00 0.00 O ATOM 550 CB ARG A 39 7.155 0.619 4.157 1.00 0.00 C ATOM 551 CG ARG A 39 8.501 1.217 4.575 1.00 0.00 C ATOM 552 CD ARG A 39 8.389 1.788 5.988 1.00 0.00 C ATOM 553 NE ARG A 39 8.241 0.711 6.959 1.00 0.00 N ATOM 554 CZ ARG A 39 7.840 0.957 8.202 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.570 2.178 8.571 1.00 0.00 N ATOM 556 NH2 ARG A 39 7.714 -0.025 9.054 1.00 0.00 N ATOM 0 H ARG A 39 5.277 -0.551 3.001 1.00 0.00 H new ATOM 0 HA ARG A 39 7.594 0.915 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.370 1.371 4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.884 -0.198 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.277 0.452 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.795 2.001 3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.276 2.377 6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.534 2.461 6.049 1.00 0.00 H new ATOM 0 HE ARG A 39 8.449 -0.248 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.666 2.945 7.906 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.262 2.366 9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.923 -0.981 8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.406 0.164 10.008 1.00 0.00 H new ATOM 570 N ILE A 40 9.336 -0.826 1.912 1.00 0.00 N ATOM 571 CA ILE A 40 10.361 -1.852 1.768 1.00 0.00 C ATOM 572 C ILE A 40 11.627 -1.452 2.519 1.00 0.00 C ATOM 573 O ILE A 40 12.118 -0.333 2.374 1.00 0.00 O ATOM 574 CB ILE A 40 10.689 -2.060 0.289 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.403 -2.383 -0.477 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.673 -3.221 0.140 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.689 -2.384 -1.979 1.00 0.00 C ATOM 0 H ILE A 40 9.529 0.041 1.411 1.00 0.00 H new ATOM 0 HA ILE A 40 9.979 -2.782 2.189 1.00 0.00 H new ATOM 0 HB ILE A 40 11.137 -1.151 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.018 -3.355 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.634 -1.647 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.906 -3.368 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.589 -2.994 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.227 -4.130 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.773 -2.614 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.054 -1.402 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.444 -3.137 -2.205 1.00 0.00 H new ATOM 589 N VAL A 41 12.150 -2.373 3.323 1.00 0.00 N ATOM 590 CA VAL A 41 13.353 -2.099 4.101 1.00 0.00 C ATOM 591 C VAL A 41 14.373 -3.218 3.921 1.00 0.00 C ATOM 592 O VAL A 41 14.049 -4.397 4.068 1.00 0.00 O ATOM 593 CB VAL A 41 12.997 -1.961 5.581 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.252 -1.599 6.378 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.950 -0.858 5.753 1.00 0.00 C ATOM 0 H VAL A 41 11.763 -3.308 3.452 1.00 0.00 H new ATOM 0 HA VAL A 41 13.789 -1.166 3.745 1.00 0.00 H new ATOM 0 HB VAL A 41 12.595 -2.906 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.997 -1.501 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.999 -2.383 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.655 -0.654 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.696 -0.759 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.353 0.086 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.055 -1.115 5.187 1.00 0.00 H new ATOM 605 N ASN A 42 15.608 -2.842 3.603 1.00 0.00 N ATOM 606 CA ASN A 42 16.672 -3.821 3.419 1.00 0.00 C ATOM 607 C ASN A 42 17.619 -3.813 4.614 1.00 0.00 C ATOM 608 O ASN A 42 18.483 -2.943 4.729 1.00 0.00 O ATOM 609 CB ASN A 42 17.455 -3.509 2.143 1.00 0.00 C ATOM 610 CG ASN A 42 18.025 -4.794 1.552 1.00 0.00 C ATOM 611 OD1 ASN A 42 18.739 -5.529 2.235 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.751 -5.111 0.316 1.00 0.00 N ATOM 0 H ASN A 42 15.895 -1.872 3.468 1.00 0.00 H new ATOM 0 HA ASN A 42 16.220 -4.809 3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.804 -3.023 1.417 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.263 -2.811 2.364 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.128 -5.969 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.159 -4.501 -0.248 1.00 0.00 H new ATOM 619 N LYS A 43 17.450 -4.786 5.504 1.00 0.00 N ATOM 620 CA LYS A 43 18.283 -4.871 6.698 1.00 0.00 C ATOM 621 C LYS A 43 19.762 -4.838 6.327 1.00 0.00 C ATOM 622 O LYS A 43 20.604 -4.433 7.128 1.00 0.00 O ATOM 623 CB LYS A 43 17.975 -6.161 7.459 1.00 0.00 C ATOM 624 CG LYS A 43 16.528 -6.129 7.954 1.00 0.00 C ATOM 625 CD LYS A 43 16.251 -7.371 8.803 1.00 0.00 C ATOM 626 CE LYS A 43 14.771 -7.408 9.187 1.00 0.00 C ATOM 627 NZ LYS A 43 14.365 -6.078 9.725 1.00 0.00 N ATOM 0 H LYS A 43 16.749 -5.522 5.422 1.00 0.00 H new ATOM 0 HA LYS A 43 18.061 -4.013 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.130 -7.024 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.657 -6.270 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.353 -5.228 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.843 -6.095 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.516 -8.271 8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.870 -7.357 9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.165 -7.661 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.597 -8.183 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.487 -6.179 10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.117 -5.708 10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.207 -5.418 8.937 1.00 0.00 H new ATOM 641 N LYS A 44 20.071 -5.268 5.108 1.00 0.00 N ATOM 642 CA LYS A 44 21.454 -5.287 4.645 1.00 0.00 C ATOM 643 C LYS A 44 22.073 -3.897 4.745 1.00 0.00 C ATOM 644 O LYS A 44 22.996 -3.673 5.528 1.00 0.00 O ATOM 645 CB LYS A 44 21.511 -5.770 3.194 1.00 0.00 C ATOM 646 CG LYS A 44 22.966 -6.039 2.804 1.00 0.00 C ATOM 647 CD LYS A 44 23.006 -6.937 1.565 1.00 0.00 C ATOM 648 CE LYS A 44 22.296 -6.237 0.405 1.00 0.00 C ATOM 649 NZ LYS A 44 22.803 -4.841 0.281 1.00 0.00 N ATOM 0 H LYS A 44 19.389 -5.605 4.428 1.00 0.00 H new ATOM 0 HA LYS A 44 22.020 -5.970 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.918 -6.677 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.078 -5.020 2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.479 -5.099 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.492 -6.517 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 44 24.039 -7.156 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.524 -7.891 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 44 22.469 -6.782 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.219 -6.230 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.999 -4.183 0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.392 -4.611 1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 23.372 -4.754 -0.585 1.00 0.00 H new ATOM 663 N LYS A 45 21.561 -2.967 3.946 1.00 0.00 N ATOM 664 CA LYS A 45 22.063 -1.598 3.963 1.00 0.00 C ATOM 665 C LYS A 45 21.116 -0.689 4.739 1.00 0.00 C ATOM 666 O LYS A 45 21.376 0.503 4.899 1.00 0.00 O ATOM 667 CB LYS A 45 22.212 -1.080 2.531 1.00 0.00 C ATOM 668 CG LYS A 45 23.158 -1.998 1.754 1.00 0.00 C ATOM 669 CD LYS A 45 24.564 -1.906 2.348 1.00 0.00 C ATOM 670 CE LYS A 45 25.591 -2.334 1.298 1.00 0.00 C ATOM 671 NZ LYS A 45 25.137 -3.592 0.641 1.00 0.00 N ATOM 0 H LYS A 45 20.804 -3.134 3.283 1.00 0.00 H new ATOM 0 HA LYS A 45 23.036 -1.593 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.238 -1.045 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.601 -0.062 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.800 -3.027 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 45 23.177 -1.712 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.766 -0.886 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.641 -2.544 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.715 -1.547 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 45 26.563 -2.486 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 25.931 -4.019 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.798 -4.258 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.365 -3.378 -0.022 1.00 0.00 H new ATOM 685 N LYS A 46 20.018 -1.261 5.223 1.00 0.00 N ATOM 686 CA LYS A 46 19.033 -0.491 5.975 1.00 0.00 C ATOM 687 C LYS A 46 18.549 0.706 5.162 1.00 0.00 C ATOM 688 O LYS A 46 18.331 1.788 5.705 1.00 0.00 O ATOM 689 CB LYS A 46 19.646 -0.003 7.289 1.00 0.00 C ATOM 690 CG LYS A 46 19.259 -0.958 8.419 1.00 0.00 C ATOM 691 CD LYS A 46 17.832 -0.652 8.880 1.00 0.00 C ATOM 692 CE LYS A 46 17.871 0.376 10.013 1.00 0.00 C ATOM 693 NZ LYS A 46 16.488 0.614 10.514 1.00 0.00 N ATOM 0 H LYS A 46 19.789 -2.248 5.109 1.00 0.00 H new ATOM 0 HA LYS A 46 18.181 -1.137 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.731 0.050 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.296 1.004 7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.328 -1.990 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.953 -0.852 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.244 -0.268 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.345 -1.566 9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.506 0.017 10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.306 1.310 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.513 1.313 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.895 0.974 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.089 -0.278 10.869 1.00 0.00 H new ATOM 707 N GLN A 47 18.381 0.504 3.860 1.00 0.00 N ATOM 708 CA GLN A 47 17.901 1.571 2.988 1.00 0.00 C ATOM 709 C GLN A 47 16.399 1.440 2.763 1.00 0.00 C ATOM 710 O GLN A 47 15.914 0.395 2.327 1.00 0.00 O ATOM 711 CB GLN A 47 18.629 1.518 1.644 1.00 0.00 C ATOM 712 CG GLN A 47 18.430 0.141 1.008 1.00 0.00 C ATOM 713 CD GLN A 47 19.425 -0.054 -0.131 1.00 0.00 C ATOM 714 OE1 GLN A 47 19.567 -1.162 -0.649 1.00 0.00 O ATOM 715 NE2 GLN A 47 20.128 0.961 -0.552 1.00 0.00 N ATOM 0 H GLN A 47 18.568 -0.380 3.388 1.00 0.00 H new ATOM 0 HA GLN A 47 18.104 2.528 3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.247 2.295 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.692 1.714 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.565 -0.638 1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.411 0.048 0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.009 1.878 -0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.797 0.838 -1.312 1.00 0.00 H new ATOM 724 N TRP A 48 15.665 2.507 3.062 1.00 0.00 N ATOM 725 CA TRP A 48 14.216 2.494 2.903 1.00 0.00 C ATOM 726 C TRP A 48 13.832 2.748 1.449 1.00 0.00 C ATOM 727 O TRP A 48 14.467 3.545 0.759 1.00 0.00 O ATOM 728 CB TRP A 48 13.582 3.565 3.794 1.00 0.00 C ATOM 729 CG TRP A 48 13.742 3.180 5.231 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.535 2.183 5.685 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.110 3.768 6.404 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.429 2.121 7.063 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.562 3.077 7.553 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.196 4.823 6.582 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.124 3.421 8.833 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.753 5.171 7.868 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.216 4.472 8.991 1.00 0.00 C ATOM 0 H TRP A 48 16.047 3.385 3.413 1.00 0.00 H new ATOM 0 HA TRP A 48 13.848 1.511 3.197 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.053 4.531 3.611 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.525 3.675 3.552 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.150 1.541 5.072 1.00 0.00 H new ATOM 0 HE1 TRP A 48 14.930 1.451 7.646 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.833 5.369 5.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.484 2.879 9.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.051 5.982 7.993 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.872 4.745 9.978 1.00 0.00 H new ATOM 748 N ALA A 49 12.787 2.066 0.991 1.00 0.00 N ATOM 749 CA ALA A 49 12.316 2.233 -0.380 1.00 0.00 C ATOM 750 C ALA A 49 10.793 2.174 -0.430 1.00 0.00 C ATOM 751 O ALA A 49 10.165 1.448 0.340 1.00 0.00 O ATOM 752 CB ALA A 49 12.902 1.137 -1.272 1.00 0.00 C ATOM 0 H ALA A 49 12.253 1.396 1.545 1.00 0.00 H new ATOM 0 HA ALA A 49 12.644 3.207 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.545 1.270 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.990 1.199 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.589 0.161 -0.902 1.00 0.00 H new ATOM 758 N TYR A 50 10.202 2.944 -1.339 1.00 0.00 N ATOM 759 CA TYR A 50 8.750 2.974 -1.471 1.00 0.00 C ATOM 760 C TYR A 50 8.331 2.641 -2.899 1.00 0.00 C ATOM 761 O TYR A 50 8.894 3.163 -3.861 1.00 0.00 O ATOM 762 CB TYR A 50 8.222 4.358 -1.092 1.00 0.00 C ATOM 763 CG TYR A 50 8.381 4.565 0.395 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.545 3.887 1.290 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.364 5.437 0.879 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.693 4.080 2.669 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.511 5.630 2.257 1.00 0.00 C ATOM 768 CZ TYR A 50 8.675 4.952 3.152 1.00 0.00 C ATOM 769 OH TYR A 50 8.820 5.143 4.511 1.00 0.00 O ATOM 0 H TYR A 50 10.701 3.550 -1.990 1.00 0.00 H new ATOM 0 HA TYR A 50 8.328 2.226 -0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.766 5.129 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.173 4.449 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.786 3.215 0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.009 5.961 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.049 3.556 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.270 6.302 2.630 1.00 0.00 H new ATOM 0 HH TYR A 50 9.548 5.778 4.676 1.00 0.00 H new ATOM 779 N TYR A 51 7.337 1.768 -3.027 1.00 0.00 N ATOM 780 CA TYR A 51 6.838 1.378 -4.340 1.00 0.00 C ATOM 781 C TYR A 51 5.358 1.727 -4.474 1.00 0.00 C ATOM 782 O TYR A 51 4.540 1.328 -3.646 1.00 0.00 O ATOM 783 CB TYR A 51 7.032 -0.125 -4.546 1.00 0.00 C ATOM 784 CG TYR A 51 6.239 -0.577 -5.749 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.689 -0.270 -7.040 1.00 0.00 C ATOM 786 CD2 TYR A 51 5.055 -1.302 -5.574 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.953 -0.688 -8.154 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.320 -1.721 -6.690 1.00 0.00 C ATOM 789 CZ TYR A 51 4.769 -1.415 -7.980 1.00 0.00 C ATOM 790 OH TYR A 51 4.044 -1.828 -9.080 1.00 0.00 O ATOM 0 H TYR A 51 6.864 1.320 -2.242 1.00 0.00 H new ATOM 0 HA TYR A 51 7.398 1.923 -5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.089 -0.349 -4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.708 -0.669 -3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.603 0.289 -7.175 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.708 -1.538 -4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.298 -0.450 -9.149 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.406 -2.281 -6.555 1.00 0.00 H new ATOM 0 HH TYR A 51 3.705 -2.735 -8.927 1.00 0.00 H new ATOM 800 N ASN A 52 5.023 2.473 -5.521 1.00 0.00 N ATOM 801 CA ASN A 52 3.640 2.882 -5.743 1.00 0.00 C ATOM 802 C ASN A 52 2.912 1.865 -6.616 1.00 0.00 C ATOM 803 O ASN A 52 3.402 1.478 -7.676 1.00 0.00 O ATOM 804 CB ASN A 52 3.603 4.254 -6.418 1.00 0.00 C ATOM 805 CG ASN A 52 2.160 4.651 -6.709 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.238 3.875 -6.459 1.00 0.00 O ATOM 807 ND2 ASN A 52 1.908 5.823 -7.225 1.00 0.00 N ATOM 0 H ASN A 52 5.683 2.805 -6.224 1.00 0.00 H new ATOM 0 HA ASN A 52 3.139 2.938 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.071 4.998 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.176 4.228 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.945 6.097 -7.422 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.674 6.465 -7.431 1.00 0.00 H new ATOM 814 N ASP A 53 1.737 1.439 -6.162 1.00 0.00 N ATOM 815 CA ASP A 53 0.941 0.477 -6.915 1.00 0.00 C ATOM 816 C ASP A 53 -0.190 1.184 -7.655 1.00 0.00 C ATOM 817 O ASP A 53 -0.524 0.827 -8.785 1.00 0.00 O ATOM 818 CB ASP A 53 0.357 -0.573 -5.968 1.00 0.00 C ATOM 819 CG ASP A 53 -0.656 0.076 -5.032 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.549 1.270 -4.811 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.526 -0.632 -4.550 1.00 0.00 O ATOM 0 H ASP A 53 1.318 1.742 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 53 1.588 -0.012 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.122 -1.366 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.155 -1.036 -5.388 1.00 0.00 H new ATOM 826 N THR A 54 -0.775 2.188 -7.010 1.00 0.00 N ATOM 827 CA THR A 54 -1.868 2.940 -7.616 1.00 0.00 C ATOM 828 C THR A 54 -1.424 3.562 -8.935 1.00 0.00 C ATOM 829 O THR A 54 -0.507 4.383 -8.968 1.00 0.00 O ATOM 830 CB THR A 54 -2.336 4.041 -6.662 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.205 4.707 -6.120 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.159 3.424 -5.530 1.00 0.00 C ATOM 0 H THR A 54 -0.513 2.498 -6.074 1.00 0.00 H new ATOM 0 HA THR A 54 -2.692 2.254 -7.811 1.00 0.00 H new ATOM 0 HB THR A 54 -2.953 4.756 -7.207 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.413 4.498 -6.658 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.491 4.210 -4.852 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.027 2.914 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.546 2.708 -4.983 1.00 0.00 H new ATOM 840 N THR A 55 -2.077 3.164 -10.022 1.00 0.00 N ATOM 841 CA THR A 55 -1.735 3.685 -11.341 1.00 0.00 C ATOM 842 C THR A 55 -2.560 4.928 -11.658 1.00 0.00 C ATOM 843 O THR A 55 -2.580 5.396 -12.796 1.00 0.00 O ATOM 844 CB THR A 55 -1.989 2.615 -12.406 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.370 2.280 -12.416 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.162 1.369 -12.087 1.00 0.00 C ATOM 0 H THR A 55 -2.840 2.488 -10.017 1.00 0.00 H new ATOM 0 HA THR A 55 -0.679 3.955 -11.342 1.00 0.00 H new ATOM 0 HB THR A 55 -1.700 2.998 -13.385 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.536 1.596 -13.098 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.344 0.608 -12.846 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.103 1.627 -12.078 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.449 0.982 -11.109 1.00 0.00 H new ATOM 854 N GLN A 56 -3.240 5.456 -10.646 1.00 0.00 N ATOM 855 CA GLN A 56 -4.066 6.644 -10.831 1.00 0.00 C ATOM 856 C GLN A 56 -3.671 7.734 -9.839 1.00 0.00 C ATOM 857 O GLN A 56 -4.049 8.895 -9.996 1.00 0.00 O ATOM 858 CB GLN A 56 -5.541 6.288 -10.636 1.00 0.00 C ATOM 859 CG GLN A 56 -5.663 5.163 -9.606 1.00 0.00 C ATOM 860 CD GLN A 56 -5.321 3.825 -10.255 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.526 3.057 -9.713 1.00 0.00 O ATOM 862 NE2 GLN A 56 -5.878 3.499 -11.389 1.00 0.00 N ATOM 0 H GLN A 56 -3.236 5.084 -9.696 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.910 7.017 -11.843 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.096 7.164 -10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.979 5.976 -11.584 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.993 5.352 -8.767 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.676 5.134 -9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.536 4.137 -11.836 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.655 2.606 -11.829 1.00 0.00 H new ATOM 871 N TYR A 57 -2.908 7.352 -8.821 1.00 0.00 N ATOM 872 CA TYR A 57 -2.463 8.309 -7.814 1.00 0.00 C ATOM 873 C TYR A 57 -0.992 8.088 -7.474 1.00 0.00 C ATOM 874 O TYR A 57 -0.524 6.951 -7.412 1.00 0.00 O ATOM 875 CB TYR A 57 -3.308 8.164 -6.547 1.00 0.00 C ATOM 876 CG TYR A 57 -4.719 7.779 -6.924 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.503 8.651 -7.688 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.243 6.548 -6.509 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.810 8.295 -8.037 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.552 6.191 -6.859 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.335 7.064 -7.623 1.00 0.00 C ATOM 882 OH TYR A 57 -8.624 6.713 -7.968 1.00 0.00 O ATOM 0 H TYR A 57 -2.587 6.396 -8.671 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.583 9.314 -8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.875 7.407 -5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.312 9.101 -5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.098 9.600 -8.008 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.638 5.874 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.414 8.969 -8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.957 5.242 -6.539 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.831 5.828 -7.602 1.00 0.00 H new ATOM 892 N GLU A 58 -0.271 9.182 -7.253 1.00 0.00 N ATOM 893 CA GLU A 58 1.141 9.096 -6.896 1.00 0.00 C ATOM 894 C GLU A 58 1.306 9.066 -5.379 1.00 0.00 C ATOM 895 O GLU A 58 0.504 9.643 -4.647 1.00 0.00 O ATOM 896 CB GLU A 58 1.900 10.292 -7.472 1.00 0.00 C ATOM 897 CG GLU A 58 1.220 11.589 -7.030 1.00 0.00 C ATOM 898 CD GLU A 58 0.002 11.864 -7.904 1.00 0.00 C ATOM 899 OE1 GLU A 58 -0.293 11.038 -8.751 1.00 0.00 O ATOM 900 OE2 GLU A 58 -0.617 12.899 -7.714 1.00 0.00 O ATOM 0 H GLU A 58 -0.637 10.132 -7.314 1.00 0.00 H new ATOM 0 HA GLU A 58 1.548 8.175 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.935 10.277 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.922 10.233 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.918 11.513 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.923 12.419 -7.100 1.00 0.00 H new ATOM 907 N MET A 59 2.352 8.390 -4.917 1.00 0.00 N ATOM 908 CA MET A 59 2.607 8.284 -3.485 1.00 0.00 C ATOM 909 C MET A 59 3.640 9.316 -3.043 1.00 0.00 C ATOM 910 O MET A 59 4.764 9.336 -3.543 1.00 0.00 O ATOM 911 CB MET A 59 3.109 6.879 -3.147 1.00 0.00 C ATOM 912 CG MET A 59 1.917 5.929 -3.013 1.00 0.00 C ATOM 913 SD MET A 59 0.700 6.303 -4.299 1.00 0.00 S ATOM 914 CE MET A 59 -0.732 5.559 -3.480 1.00 0.00 C ATOM 0 H MET A 59 3.032 7.911 -5.507 1.00 0.00 H new ATOM 0 HA MET A 59 1.674 8.474 -2.955 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.784 6.525 -3.927 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.678 6.899 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.250 4.895 -3.103 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.464 6.034 -2.027 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.647 5.914 -3.954 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.677 4.474 -3.565 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.736 5.841 -2.427 1.00 0.00 H new ATOM 924 N HIS A 60 3.251 10.168 -2.100 1.00 0.00 N ATOM 925 CA HIS A 60 4.157 11.189 -1.585 1.00 0.00 C ATOM 926 C HIS A 60 4.695 10.781 -0.218 1.00 0.00 C ATOM 927 O HIS A 60 3.927 10.475 0.695 1.00 0.00 O ATOM 928 CB HIS A 60 3.426 12.529 -1.471 1.00 0.00 C ATOM 929 CG HIS A 60 3.250 13.122 -2.841 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.857 14.311 -3.216 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.538 12.703 -3.938 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.503 14.563 -4.490 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.699 13.615 -4.977 1.00 0.00 N ATOM 0 H HIS A 60 2.322 10.173 -1.679 1.00 0.00 H new ATOM 0 HA HIS A 60 4.992 11.292 -2.277 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.455 12.386 -0.997 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.992 13.212 -0.838 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.462 14.889 -2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.944 11.803 -3.987 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.830 15.427 -5.050 1.00 0.00 H new ATOM 942 N VAL A 61 6.017 10.774 -0.082 1.00 0.00 N ATOM 943 CA VAL A 61 6.643 10.388 1.176 1.00 0.00 C ATOM 944 C VAL A 61 7.202 11.610 1.899 1.00 0.00 C ATOM 945 O VAL A 61 7.954 12.395 1.323 1.00 0.00 O ATOM 946 CB VAL A 61 7.769 9.388 0.913 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.577 9.177 2.195 1.00 0.00 C ATOM 948 CG2 VAL A 61 7.169 8.054 0.464 1.00 0.00 C ATOM 0 H VAL A 61 6.671 11.029 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 61 5.885 9.925 1.808 1.00 0.00 H new ATOM 0 HB VAL A 61 8.423 9.776 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.379 8.464 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.004 10.127 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.924 8.790 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.970 7.340 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.515 7.668 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.594 8.203 -0.450 1.00 0.00 H new ATOM 958 N LEU A 62 6.832 11.758 3.167 1.00 0.00 N ATOM 959 CA LEU A 62 7.311 12.879 3.968 1.00 0.00 C ATOM 960 C LEU A 62 7.573 12.431 5.403 1.00 0.00 C ATOM 961 O LEU A 62 6.675 12.455 6.245 1.00 0.00 O ATOM 962 CB LEU A 62 6.277 14.007 3.964 1.00 0.00 C ATOM 963 CG LEU A 62 6.831 15.211 4.726 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.942 15.868 3.904 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.709 16.224 4.965 1.00 0.00 C ATOM 0 H LEU A 62 6.206 11.121 3.659 1.00 0.00 H new ATOM 0 HA LEU A 62 8.242 13.242 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.037 14.291 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.350 13.666 4.426 1.00 0.00 H new ATOM 0 HG LEU A 62 7.233 14.880 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.337 16.727 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.742 15.148 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.539 16.198 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.104 17.083 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.307 16.554 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.916 15.758 5.550 1.00 0.00 H new ATOM 977 N VAL A 63 8.807 12.019 5.672 1.00 0.00 N ATOM 978 CA VAL A 63 9.171 11.552 7.006 1.00 0.00 C ATOM 979 C VAL A 63 10.191 12.488 7.646 1.00 0.00 C ATOM 980 O VAL A 63 11.194 12.846 7.027 1.00 0.00 O ATOM 981 CB VAL A 63 9.753 10.141 6.922 1.00 0.00 C ATOM 982 CG1 VAL A 63 10.030 9.616 8.331 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.753 9.219 6.221 1.00 0.00 C ATOM 0 H VAL A 63 9.566 11.998 4.991 1.00 0.00 H new ATOM 0 HA VAL A 63 8.272 11.540 7.623 1.00 0.00 H new ATOM 0 HB VAL A 63 10.684 10.166 6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.445 8.610 8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.743 10.272 8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.100 9.591 8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.167 8.212 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.822 9.195 6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.557 9.592 5.216 1.00 0.00 H new ATOM 993 N THR A 64 9.930 12.876 8.890 1.00 0.00 N ATOM 994 CA THR A 64 10.840 13.759 9.613 1.00 0.00 C ATOM 995 C THR A 64 11.536 12.998 10.737 1.00 0.00 C ATOM 996 O THR A 64 10.896 12.267 11.493 1.00 0.00 O ATOM 997 CB THR A 64 10.066 14.942 10.196 1.00 0.00 C ATOM 998 OG1 THR A 64 9.377 15.617 9.153 1.00 0.00 O ATOM 999 CG2 THR A 64 11.041 15.907 10.873 1.00 0.00 C ATOM 0 H THR A 64 9.102 12.596 9.416 1.00 0.00 H new ATOM 0 HA THR A 64 11.593 14.128 8.917 1.00 0.00 H new ATOM 0 HB THR A 64 9.347 14.579 10.931 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.879 16.374 9.526 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.489 16.750 11.288 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.569 15.389 11.674 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.761 16.271 10.140 1.00 0.00 H new ATOM 1007 N PHE A 65 12.850 13.172 10.839 1.00 0.00 N ATOM 1008 CA PHE A 65 13.619 12.496 11.877 1.00 0.00 C ATOM 1009 C PHE A 65 14.253 13.507 12.826 1.00 0.00 C ATOM 1010 O PHE A 65 14.340 14.695 12.516 1.00 0.00 O ATOM 1011 CB PHE A 65 14.712 11.636 11.237 1.00 0.00 C ATOM 1012 CG PHE A 65 14.223 11.112 9.908 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.346 11.900 8.757 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.646 9.839 9.828 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.892 11.414 7.525 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.192 9.353 8.596 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.315 10.140 7.444 1.00 0.00 C ATOM 0 H PHE A 65 13.400 13.770 10.222 1.00 0.00 H new ATOM 0 HA PHE A 65 12.942 11.861 12.448 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.618 12.225 11.097 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.970 10.806 11.895 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.791 12.882 8.820 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.551 9.232 10.716 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.987 12.021 6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.747 8.371 8.534 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.965 9.765 6.494 1.00 0.00 H new ATOM 1027 N ASN A 66 14.693 13.026 13.985 1.00 0.00 N ATOM 1028 CA ASN A 66 15.324 13.894 14.972 1.00 0.00 C ATOM 1029 C ASN A 66 16.792 14.119 14.629 1.00 0.00 C ATOM 1030 O ASN A 66 17.417 13.296 13.960 1.00 0.00 O ATOM 1031 CB ASN A 66 15.214 13.267 16.363 1.00 0.00 C ATOM 1032 CG ASN A 66 15.552 14.304 17.431 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.846 15.302 17.573 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.596 14.126 18.193 1.00 0.00 N ATOM 0 H ASN A 66 14.625 12.047 14.262 1.00 0.00 H new ATOM 0 HA ASN A 66 14.810 14.855 14.964 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.205 12.886 16.521 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.892 12.417 16.442 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.829 14.815 18.908 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.180 13.298 18.073 1.00 0.00 H new ATOM 1041 N GLU A 67 17.339 15.239 15.093 1.00 0.00 N ATOM 1042 CA GLU A 67 18.736 15.562 14.829 1.00 0.00 C ATOM 1043 C GLU A 67 19.625 14.353 15.107 1.00 0.00 C ATOM 1044 O GLU A 67 20.458 13.980 14.280 1.00 0.00 O ATOM 1045 CB GLU A 67 19.177 16.733 15.708 1.00 0.00 C ATOM 1046 CG GLU A 67 20.703 16.836 15.696 1.00 0.00 C ATOM 1047 CD GLU A 67 21.136 18.214 16.185 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.305 18.911 16.744 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.293 18.553 15.993 1.00 0.00 O ATOM 0 H GLU A 67 16.840 15.933 15.650 1.00 0.00 H new ATOM 0 HA GLU A 67 18.834 15.839 13.779 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.737 17.661 15.343 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.820 16.590 16.728 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.133 16.063 16.333 1.00 0.00 H new ATOM 0 HG3 GLU A 67 21.080 16.664 14.688 1.00 0.00 H new ATOM 1056 N ASP A 68 19.440 13.746 16.274 1.00 0.00 N ATOM 1057 CA ASP A 68 20.234 12.582 16.653 1.00 0.00 C ATOM 1058 C ASP A 68 19.758 11.343 15.901 1.00 0.00 C ATOM 1059 O ASP A 68 19.120 10.464 16.477 1.00 0.00 O ATOM 1060 CB ASP A 68 20.122 12.343 18.159 1.00 0.00 C ATOM 1061 CG ASP A 68 21.059 11.215 18.579 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.866 10.805 17.760 1.00 0.00 O ATOM 1063 OD2 ASP A 68 20.957 10.778 19.714 1.00 0.00 O ATOM 0 H ASP A 68 18.753 14.037 16.969 1.00 0.00 H new ATOM 0 HA ASP A 68 21.275 12.773 16.393 1.00 0.00 H new ATOM 0 HB2 ASP A 68 20.373 13.255 18.700 1.00 0.00 H new ATOM 0 HB3 ASP A 68 19.094 12.090 18.420 1.00 0.00 H new ATOM 1068 N CYS A 69 20.074 11.281 14.611 1.00 0.00 N ATOM 1069 CA CYS A 69 19.685 10.137 13.795 1.00 0.00 C ATOM 1070 C CYS A 69 20.636 9.971 12.615 1.00 0.00 C ATOM 1071 O CYS A 69 20.714 10.835 11.741 1.00 0.00 O ATOM 1072 CB CYS A 69 18.256 10.326 13.279 1.00 0.00 C ATOM 1073 SG CYS A 69 17.161 10.712 14.666 1.00 0.00 S ATOM 0 H CYS A 69 20.594 12.003 14.112 1.00 0.00 H new ATOM 0 HA CYS A 69 19.733 9.241 14.413 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.227 11.130 12.544 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.917 9.421 12.775 1.00 0.00 H new ATOM 0 HG CYS A 69 17.798 10.531 15.785 1.00 0.00 H new ATOM 1079 N ASP A 70 21.357 8.855 12.595 1.00 0.00 N ATOM 1080 CA ASP A 70 22.306 8.589 11.519 1.00 0.00 C ATOM 1081 C ASP A 70 21.575 8.109 10.270 1.00 0.00 C ATOM 1082 O ASP A 70 21.512 6.911 9.998 1.00 0.00 O ATOM 1083 CB ASP A 70 23.315 7.528 11.963 1.00 0.00 C ATOM 1084 CG ASP A 70 24.479 7.471 10.977 1.00 0.00 C ATOM 1085 OD1 ASP A 70 25.382 8.280 11.110 1.00 0.00 O ATOM 1086 OD2 ASP A 70 24.447 6.620 10.104 1.00 0.00 O ATOM 0 H ASP A 70 21.304 8.125 13.305 1.00 0.00 H new ATOM 0 HA ASP A 70 22.833 9.514 11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.684 7.761 12.962 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.829 6.554 12.022 1.00 0.00 H new ATOM 1091 N ILE A 71 21.023 9.054 9.515 1.00 0.00 N ATOM 1092 CA ILE A 71 20.292 8.716 8.299 1.00 0.00 C ATOM 1093 C ILE A 71 20.898 9.429 7.094 1.00 0.00 C ATOM 1094 O ILE A 71 21.552 10.462 7.236 1.00 0.00 O ATOM 1095 CB ILE A 71 18.824 9.118 8.447 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.733 10.619 8.733 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.196 8.340 9.605 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.266 11.021 8.896 1.00 0.00 C ATOM 0 H ILE A 71 21.067 10.052 9.722 1.00 0.00 H new ATOM 0 HA ILE A 71 20.361 7.640 8.142 1.00 0.00 H new ATOM 0 HB ILE A 71 18.290 8.890 7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.290 10.862 9.638 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.187 11.183 7.918 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.150 8.626 9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.261 7.271 9.403 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.729 8.568 10.528 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.202 12.090 9.100 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.722 10.793 7.979 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.827 10.467 9.726 1.00 0.00 H new ATOM 1110 N LYS A 72 20.678 8.869 5.908 1.00 0.00 N ATOM 1111 CA LYS A 72 21.209 9.460 4.685 1.00 0.00 C ATOM 1112 C LYS A 72 20.108 9.618 3.642 1.00 0.00 C ATOM 1113 O LYS A 72 19.021 9.057 3.783 1.00 0.00 O ATOM 1114 CB LYS A 72 22.324 8.577 4.122 1.00 0.00 C ATOM 1115 CG LYS A 72 23.543 8.640 5.046 1.00 0.00 C ATOM 1116 CD LYS A 72 24.586 7.621 4.584 1.00 0.00 C ATOM 1117 CE LYS A 72 25.015 7.940 3.150 1.00 0.00 C ATOM 1118 NZ LYS A 72 26.368 7.371 2.899 1.00 0.00 N ATOM 0 H LYS A 72 20.140 8.014 5.769 1.00 0.00 H new ATOM 0 HA LYS A 72 21.609 10.445 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 72 21.976 7.548 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.596 8.911 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.969 9.643 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.245 8.431 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.451 7.645 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.173 6.614 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.297 7.524 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 72 25.028 9.019 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 26.660 7.587 1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 27.049 7.788 3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 26.341 6.340 3.031 1.00 0.00 H new ATOM 1132 N ALA A 73 20.397 10.383 2.594 1.00 0.00 N ATOM 1133 CA ALA A 73 19.423 10.609 1.532 1.00 0.00 C ATOM 1134 C ALA A 73 19.786 9.797 0.293 1.00 0.00 C ATOM 1135 O ALA A 73 20.949 9.744 -0.109 1.00 0.00 O ATOM 1136 CB ALA A 73 19.376 12.096 1.174 1.00 0.00 C ATOM 0 H ALA A 73 21.291 10.854 2.458 1.00 0.00 H new ATOM 0 HA ALA A 73 18.443 10.291 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.646 12.256 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.089 12.673 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.360 12.419 0.833 1.00 0.00 H new ATOM 1142 N LEU A 74 18.784 9.162 -0.309 1.00 0.00 N ATOM 1143 CA LEU A 74 19.011 8.355 -1.500 1.00 0.00 C ATOM 1144 C LEU A 74 18.332 8.984 -2.713 1.00 0.00 C ATOM 1145 O LEU A 74 17.600 9.965 -2.587 1.00 0.00 O ATOM 1146 CB LEU A 74 18.469 6.940 -1.284 1.00 0.00 C ATOM 1147 CG LEU A 74 18.879 6.445 0.104 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.183 5.116 0.401 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.396 6.245 0.143 1.00 0.00 C ATOM 0 H LEU A 74 17.815 9.191 0.007 1.00 0.00 H new ATOM 0 HA LEU A 74 20.084 8.308 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.383 6.937 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.857 6.269 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 74 18.587 7.181 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.476 4.765 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.103 5.257 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.473 4.378 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.691 5.892 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.685 5.508 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.893 7.192 -0.068 1.00 0.00 H new ATOM 1161 N GLY A 75 18.579 8.412 -3.888 1.00 0.00 N ATOM 1162 CA GLY A 75 17.977 8.920 -5.115 1.00 0.00 C ATOM 1163 C GLY A 75 18.003 10.445 -5.143 1.00 0.00 C ATOM 1164 O GLY A 75 18.989 11.067 -4.749 1.00 0.00 O ATOM 0 H GLY A 75 19.187 7.603 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.514 8.527 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.948 8.568 -5.193 1.00 0.00 H new ATOM 1168 N LYS A 76 16.911 11.041 -5.611 1.00 0.00 N ATOM 1169 CA LYS A 76 16.819 12.494 -5.687 1.00 0.00 C ATOM 1170 C LYS A 76 16.193 13.057 -4.416 1.00 0.00 C ATOM 1171 O LYS A 76 15.952 14.259 -4.310 1.00 0.00 O ATOM 1172 CB LYS A 76 15.977 12.903 -6.897 1.00 0.00 C ATOM 1173 CG LYS A 76 14.682 12.089 -6.917 1.00 0.00 C ATOM 1174 CD LYS A 76 13.488 13.034 -7.069 1.00 0.00 C ATOM 1175 CE LYS A 76 12.234 12.224 -7.406 1.00 0.00 C ATOM 1176 NZ LYS A 76 11.040 13.112 -7.354 1.00 0.00 N ATOM 0 H LYS A 76 16.083 10.544 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 76 17.826 12.898 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.749 13.968 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.538 12.736 -7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.701 11.375 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.588 11.512 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.335 13.594 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.685 13.762 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.329 11.783 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.119 11.401 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.188 12.562 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.947 13.513 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.150 13.883 -8.044 1.00 0.00 H new ATOM 1190 N THR A 77 15.930 12.178 -3.453 1.00 0.00 N ATOM 1191 CA THR A 77 15.323 12.597 -2.195 1.00 0.00 C ATOM 1192 C THR A 77 16.087 13.774 -1.597 1.00 0.00 C ATOM 1193 O THR A 77 17.288 13.684 -1.347 1.00 0.00 O ATOM 1194 CB THR A 77 15.319 11.431 -1.203 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.618 10.333 -1.770 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.632 11.864 0.093 1.00 0.00 C ATOM 0 H THR A 77 16.126 11.179 -3.519 1.00 0.00 H new ATOM 0 HA THR A 77 14.297 12.908 -2.394 1.00 0.00 H new ATOM 0 HB THR A 77 16.345 11.134 -0.985 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.085 9.499 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.630 11.033 0.799 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.171 12.707 0.526 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.605 12.161 -0.121 1.00 0.00 H new ATOM 1204 N LYS A 78 15.381 14.878 -1.370 1.00 0.00 N ATOM 1205 CA LYS A 78 16.004 16.066 -0.799 1.00 0.00 C ATOM 1206 C LYS A 78 16.100 15.942 0.719 1.00 0.00 C ATOM 1207 O LYS A 78 15.114 15.637 1.390 1.00 0.00 O ATOM 1208 CB LYS A 78 15.189 17.309 -1.162 1.00 0.00 C ATOM 1209 CG LYS A 78 15.998 18.563 -0.828 1.00 0.00 C ATOM 1210 CD LYS A 78 15.083 19.789 -0.877 1.00 0.00 C ATOM 1211 CE LYS A 78 14.598 20.006 -2.312 1.00 0.00 C ATOM 1212 NZ LYS A 78 14.069 21.393 -2.453 1.00 0.00 N ATOM 0 H LYS A 78 14.386 14.974 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 78 17.010 16.160 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.939 17.296 -2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.248 17.313 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.444 18.468 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.818 18.679 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.231 19.647 -0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.619 20.671 -0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.417 19.845 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.821 19.282 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.739 21.541 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.276 21.531 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.823 22.076 -2.235 1.00 0.00 H new ATOM 1226 N LEU A 79 17.294 16.179 1.251 1.00 0.00 N ATOM 1227 CA LEU A 79 17.508 16.086 2.691 1.00 0.00 C ATOM 1228 C LEU A 79 18.082 17.391 3.233 1.00 0.00 C ATOM 1229 O LEU A 79 19.076 17.905 2.717 1.00 0.00 O ATOM 1230 CB LEU A 79 18.468 14.936 3.004 1.00 0.00 C ATOM 1231 CG LEU A 79 18.777 14.923 4.501 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.472 14.821 5.293 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.663 13.718 4.827 1.00 0.00 C ATOM 0 H LEU A 79 18.122 16.435 0.713 1.00 0.00 H new ATOM 0 HA LEU A 79 16.547 15.898 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.024 13.986 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.389 15.051 2.433 1.00 0.00 H new ATOM 0 HG LEU A 79 19.295 15.843 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.694 14.812 6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.838 15.677 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.953 13.901 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.884 13.707 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.143 12.800 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.594 13.788 4.264 1.00 0.00 H new ATOM 1245 N GLU A 80 17.452 17.923 4.275 1.00 0.00 N ATOM 1246 CA GLU A 80 17.910 19.167 4.881 1.00 0.00 C ATOM 1247 C GLU A 80 17.623 19.171 6.378 1.00 0.00 C ATOM 1248 O GLU A 80 16.748 18.447 6.854 1.00 0.00 O ATOM 1249 CB GLU A 80 17.212 20.357 4.221 1.00 0.00 C ATOM 1250 CG GLU A 80 15.710 20.291 4.507 1.00 0.00 C ATOM 1251 CD GLU A 80 14.976 21.346 3.687 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.644 22.155 3.066 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.756 21.330 3.692 1.00 0.00 O ATOM 0 H GLU A 80 16.627 17.515 4.715 1.00 0.00 H new ATOM 0 HA GLU A 80 18.986 19.249 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.625 21.291 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.389 20.345 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.328 19.299 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.526 20.452 5.569 1.00 0.00 H new ATOM 1260 N GLN A 81 18.365 19.990 7.116 1.00 0.00 N ATOM 1261 CA GLN A 81 18.183 20.078 8.560 1.00 0.00 C ATOM 1262 C GLN A 81 17.318 21.282 8.919 1.00 0.00 C ATOM 1263 O GLN A 81 17.306 22.285 8.208 1.00 0.00 O ATOM 1264 CB GLN A 81 19.542 20.199 9.252 1.00 0.00 C ATOM 1265 CG GLN A 81 19.368 20.001 10.759 1.00 0.00 C ATOM 1266 CD GLN A 81 20.724 20.066 11.453 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.755 20.189 10.793 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.784 19.992 12.754 1.00 0.00 N ATOM 0 H GLN A 81 19.093 20.598 6.741 1.00 0.00 H new ATOM 0 HA GLN A 81 17.682 19.171 8.900 1.00 0.00 H new ATOM 0 HB2 GLN A 81 20.232 19.455 8.854 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.978 21.178 9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.707 20.769 11.161 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.895 19.039 10.956 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.928 19.890 13.299 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.687 20.036 13.226 1.00 0.00 H new ATOM 1277 N GLN A 82 16.594 21.173 10.030 1.00 0.00 N ATOM 1278 CA GLN A 82 15.727 22.259 10.473 1.00 0.00 C ATOM 1279 C GLN A 82 16.432 23.111 11.524 1.00 0.00 C ATOM 1280 O GLN A 82 17.541 22.791 11.954 1.00 0.00 O ATOM 1281 CB GLN A 82 14.435 21.689 11.060 1.00 0.00 C ATOM 1282 CG GLN A 82 13.869 20.629 10.113 1.00 0.00 C ATOM 1283 CD GLN A 82 13.707 21.212 8.714 1.00 0.00 C ATOM 1284 OE1 GLN A 82 13.167 22.308 8.556 1.00 0.00 O ATOM 1285 NE2 GLN A 82 14.144 20.543 7.683 1.00 0.00 N ATOM 0 H GLN A 82 16.590 20.351 10.634 1.00 0.00 H new ATOM 0 HA GLN A 82 15.490 22.884 9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.630 21.251 12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.707 22.487 11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.534 19.766 10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.906 20.276 10.483 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.591 19.636 7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.039 20.927 6.744 1.00 0.00 H new ATOM 1294 N GLU A 83 15.783 24.195 11.933 1.00 0.00 N ATOM 1295 CA GLU A 83 16.361 25.090 12.929 1.00 0.00 C ATOM 1296 C GLU A 83 16.288 24.464 14.318 1.00 0.00 C ATOM 1297 O GLU A 83 17.194 24.633 15.135 1.00 0.00 O ATOM 1298 CB GLU A 83 15.614 26.425 12.929 1.00 0.00 C ATOM 1299 CG GLU A 83 16.374 27.436 13.790 1.00 0.00 C ATOM 1300 CD GLU A 83 17.685 27.817 13.112 1.00 0.00 C ATOM 1301 OE1 GLU A 83 17.766 27.674 11.902 1.00 0.00 O ATOM 1302 OE2 GLU A 83 18.588 28.246 13.810 1.00 0.00 O ATOM 0 H GLU A 83 14.863 24.474 11.593 1.00 0.00 H new ATOM 0 HA GLU A 83 17.407 25.260 12.674 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.517 26.799 11.910 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.604 26.289 13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.763 28.326 13.945 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.574 27.011 14.774 1.00 0.00 H new ATOM 1309 N ASN A 84 15.204 23.740 14.578 1.00 0.00 N ATOM 1310 CA ASN A 84 15.015 23.104 15.878 1.00 0.00 C ATOM 1311 C ASN A 84 15.863 21.840 15.984 1.00 0.00 C ATOM 1312 O ASN A 84 15.833 21.146 17.000 1.00 0.00 O ATOM 1313 CB ASN A 84 13.540 22.750 16.075 1.00 0.00 C ATOM 1314 CG ASN A 84 13.155 21.595 15.157 1.00 0.00 C ATOM 1315 OD1 ASN A 84 13.992 21.196 14.239 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.061 21.043 15.277 1.00 0.00 N flip ATOM 0 H ASN A 84 14.448 23.580 13.912 1.00 0.00 H new ATOM 0 HA ASN A 84 15.328 23.803 16.654 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.359 22.476 17.114 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.917 23.619 15.861 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.408 21.356 15.995 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.808 20.273 14.658 1.00 0.00 H new ATOM 1323 N GLY A 85 16.614 21.546 14.928 1.00 0.00 N ATOM 1324 CA GLY A 85 17.481 20.374 14.922 1.00 0.00 C ATOM 1325 C GLY A 85 16.700 19.124 14.532 1.00 0.00 C ATOM 1326 O GLY A 85 16.488 18.231 15.353 1.00 0.00 O ATOM 0 H GLY A 85 16.640 22.099 14.071 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.303 20.528 14.223 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.924 20.239 15.909 1.00 0.00 H new ATOM 1330 N GLU A 86 16.274 19.067 13.275 1.00 0.00 N ATOM 1331 CA GLU A 86 15.542 17.907 12.778 1.00 0.00 C ATOM 1332 C GLU A 86 15.900 17.630 11.321 1.00 0.00 C ATOM 1333 O GLU A 86 16.332 18.526 10.597 1.00 0.00 O ATOM 1334 CB GLU A 86 14.036 18.151 12.896 1.00 0.00 C ATOM 1335 CG GLU A 86 13.627 18.119 14.370 1.00 0.00 C ATOM 1336 CD GLU A 86 12.120 18.319 14.496 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.497 18.625 13.494 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.612 18.163 15.595 1.00 0.00 O ATOM 0 H GLU A 86 16.421 19.804 12.586 1.00 0.00 H new ATOM 0 HA GLU A 86 15.819 17.041 13.380 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.778 19.115 12.457 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.489 17.390 12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.915 17.167 14.815 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.153 18.900 14.919 1.00 0.00 H new ATOM 1345 N TRP A 87 15.715 16.384 10.898 1.00 0.00 N ATOM 1346 CA TRP A 87 16.016 16.000 9.524 1.00 0.00 C ATOM 1347 C TRP A 87 14.732 15.683 8.764 1.00 0.00 C ATOM 1348 O TRP A 87 13.837 15.019 9.289 1.00 0.00 O ATOM 1349 CB TRP A 87 16.935 14.777 9.509 1.00 0.00 C ATOM 1350 CG TRP A 87 18.292 15.166 10.003 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.761 14.935 11.250 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.355 15.861 9.288 1.00 0.00 C ATOM 1353 NE1 TRP A 87 20.043 15.444 11.347 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.455 16.022 10.163 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.470 16.362 7.978 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.627 16.660 9.755 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.650 17.003 7.563 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.726 17.151 8.450 1.00 0.00 C ATOM 0 H TRP A 87 15.360 15.627 11.483 1.00 0.00 H new ATOM 0 HA TRP A 87 16.519 16.835 9.036 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.520 13.989 10.137 1.00 0.00 H new ATOM 0 HB3 TRP A 87 17.006 14.375 8.498 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.222 14.435 12.041 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.615 15.398 12.191 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.647 16.253 7.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.452 16.774 10.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.728 17.384 6.555 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.630 17.644 8.125 1.00 0.00 H new ATOM 1369 N VAL A 88 14.647 16.162 7.528 1.00 0.00 N ATOM 1370 CA VAL A 88 13.461 15.934 6.711 1.00 0.00 C ATOM 1371 C VAL A 88 13.847 15.347 5.356 1.00 0.00 C ATOM 1372 O VAL A 88 14.812 15.787 4.732 1.00 0.00 O ATOM 1373 CB VAL A 88 12.707 17.248 6.506 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.528 17.018 5.558 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.186 17.752 7.853 1.00 0.00 C ATOM 0 H VAL A 88 15.379 16.707 7.072 1.00 0.00 H new ATOM 0 HA VAL A 88 12.817 15.224 7.230 1.00 0.00 H new ATOM 0 HB VAL A 88 13.380 17.989 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.990 17.955 5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.898 16.658 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.855 16.277 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.648 18.689 7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.513 17.010 8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.025 17.916 8.529 1.00 0.00 H new ATOM 1385 N ALA A 89 13.086 14.354 4.908 1.00 0.00 N ATOM 1386 CA ALA A 89 13.351 13.723 3.621 1.00 0.00 C ATOM 1387 C ALA A 89 12.050 13.506 2.854 1.00 0.00 C ATOM 1388 O ALA A 89 11.234 12.663 3.223 1.00 0.00 O ATOM 1389 CB ALA A 89 14.050 12.379 3.833 1.00 0.00 C ATOM 0 H ALA A 89 12.287 13.971 5.413 1.00 0.00 H new ATOM 0 HA ALA A 89 13.997 14.381 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.245 11.914 2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.993 12.538 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.411 11.726 4.428 1.00 0.00 H new ATOM 1395 N SER A 90 11.865 14.273 1.784 1.00 0.00 N ATOM 1396 CA SER A 90 10.646 14.175 0.990 1.00 0.00 C ATOM 1397 C SER A 90 10.972 13.774 -0.445 1.00 0.00 C ATOM 1398 O SER A 90 11.970 14.218 -1.013 1.00 0.00 O ATOM 1399 CB SER A 90 9.913 15.517 0.991 1.00 0.00 C ATOM 1400 OG SER A 90 10.633 16.446 0.192 1.00 0.00 O ATOM 0 H SER A 90 12.537 14.963 1.449 1.00 0.00 H new ATOM 0 HA SER A 90 10.007 13.411 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.902 15.393 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.819 15.892 2.010 1.00 0.00 H new ATOM 0 HG SER A 90 10.165 17.307 0.189 1.00 0.00 H new ATOM 1406 N VAL A 91 10.122 12.934 -1.027 1.00 0.00 N ATOM 1407 CA VAL A 91 10.318 12.492 -2.402 1.00 0.00 C ATOM 1408 C VAL A 91 9.028 11.903 -2.963 1.00 0.00 C ATOM 1409 O VAL A 91 8.311 11.180 -2.270 1.00 0.00 O ATOM 1410 CB VAL A 91 11.429 11.442 -2.461 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.917 10.125 -1.875 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.846 11.223 -3.917 1.00 0.00 C ATOM 0 H VAL A 91 9.296 12.548 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 91 10.603 13.355 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 91 12.287 11.788 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.708 9.376 -1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.618 10.280 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.059 9.779 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.638 10.475 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.988 10.877 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.210 12.161 -4.336 1.00 0.00 H new ATOM 1422 N VAL A 92 8.736 12.219 -4.221 1.00 0.00 N ATOM 1423 CA VAL A 92 7.525 11.719 -4.861 1.00 0.00 C ATOM 1424 C VAL A 92 7.823 10.455 -5.661 1.00 0.00 C ATOM 1425 O VAL A 92 8.817 10.385 -6.382 1.00 0.00 O ATOM 1426 CB VAL A 92 6.948 12.789 -5.791 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.693 12.247 -6.477 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.585 14.030 -4.973 1.00 0.00 C ATOM 0 H VAL A 92 9.316 12.814 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 92 6.798 11.480 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 92 7.689 13.053 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.282 13.009 -7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.950 11.361 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.951 11.984 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.174 14.794 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.844 13.765 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.478 14.417 -4.483 1.00 0.00 H new ATOM 1438 N VAL A 93 6.951 9.460 -5.529 1.00 0.00 N ATOM 1439 CA VAL A 93 7.132 8.199 -6.239 1.00 0.00 C ATOM 1440 C VAL A 93 6.069 8.040 -7.322 1.00 0.00 C ATOM 1441 O VAL A 93 4.891 8.309 -7.093 1.00 0.00 O ATOM 1442 CB VAL A 93 7.043 7.029 -5.259 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.365 5.724 -5.990 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.048 7.239 -4.124 1.00 0.00 C ATOM 0 H VAL A 93 6.118 9.502 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 93 8.116 8.204 -6.707 1.00 0.00 H new ATOM 0 HB VAL A 93 6.035 6.975 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.301 4.890 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.650 5.574 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.373 5.777 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.986 6.406 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.056 7.293 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.819 8.168 -3.603 1.00 0.00 H new ATOM 1454 N TYR A 94 6.494 7.599 -8.502 1.00 0.00 N ATOM 1455 CA TYR A 94 5.570 7.413 -9.613 1.00 0.00 C ATOM 1456 C TYR A 94 5.174 5.945 -9.739 1.00 0.00 C ATOM 1457 O TYR A 94 5.928 5.051 -9.354 1.00 0.00 O ATOM 1458 CB TYR A 94 6.217 7.884 -10.917 1.00 0.00 C ATOM 1459 CG TYR A 94 6.340 9.389 -10.901 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.188 10.185 -10.886 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.605 9.988 -10.883 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.302 11.580 -10.857 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.718 11.383 -10.856 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.567 12.179 -10.843 1.00 0.00 C ATOM 1465 OH TYR A 94 6.680 13.554 -10.817 1.00 0.00 O ATOM 0 H TYR A 94 7.465 7.366 -8.712 1.00 0.00 H new ATOM 0 HA TYR A 94 4.675 8.004 -9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 94 7.201 7.429 -11.033 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.616 7.566 -11.769 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.212 9.723 -10.897 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.494 9.374 -10.890 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.414 12.194 -10.845 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.694 11.845 -10.845 1.00 0.00 H new ATOM 0 HH TYR A 94 7.626 13.803 -10.761 1.00 0.00 H new ATOM 1475 N PRO A 95 4.009 5.688 -10.267 1.00 0.00 N ATOM 1476 CA PRO A 95 3.482 4.300 -10.427 1.00 0.00 C ATOM 1477 C PRO A 95 4.382 3.446 -11.317 1.00 0.00 C ATOM 1478 O PRO A 95 4.975 3.940 -12.276 1.00 0.00 O ATOM 1479 CB PRO A 95 2.105 4.494 -11.069 1.00 0.00 C ATOM 1480 CG PRO A 95 2.116 5.871 -11.645 1.00 0.00 C ATOM 1481 CD PRO A 95 3.056 6.705 -10.775 1.00 0.00 C ATOM 0 HA PRO A 95 3.436 3.771 -9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.926 3.748 -11.843 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.310 4.385 -10.331 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.459 5.855 -12.679 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.113 6.297 -11.649 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.560 7.482 -11.351 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.524 7.203 -9.965 1.00 0.00 H new ATOM 1489 N CYS A 96 4.478 2.161 -10.991 1.00 0.00 N ATOM 1490 CA CYS A 96 5.307 1.246 -11.765 1.00 0.00 C ATOM 1491 C CYS A 96 6.769 1.675 -11.711 1.00 0.00 C ATOM 1492 O CYS A 96 7.560 1.336 -12.591 1.00 0.00 O ATOM 1493 CB CYS A 96 4.835 1.215 -13.219 1.00 0.00 C ATOM 1494 SG CYS A 96 3.026 1.149 -13.265 1.00 0.00 S ATOM 0 H CYS A 96 3.995 1.732 -10.201 1.00 0.00 H new ATOM 0 HA CYS A 96 5.216 0.249 -11.334 1.00 0.00 H new ATOM 0 HB2 CYS A 96 5.191 2.100 -13.747 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.254 0.348 -13.730 1.00 0.00 H new ATOM 0 HG CYS A 96 2.624 1.125 -14.501 1.00 0.00 H new ATOM 1500 N GLU A 97 7.122 2.424 -10.671 1.00 0.00 N ATOM 1501 CA GLU A 97 8.492 2.898 -10.511 1.00 0.00 C ATOM 1502 C GLU A 97 8.885 2.914 -9.037 1.00 0.00 C ATOM 1503 O GLU A 97 8.205 3.521 -8.210 1.00 0.00 O ATOM 1504 CB GLU A 97 8.628 4.306 -11.092 1.00 0.00 C ATOM 1505 CG GLU A 97 8.305 4.275 -12.587 1.00 0.00 C ATOM 1506 CD GLU A 97 8.546 5.651 -13.201 1.00 0.00 C ATOM 1507 OE1 GLU A 97 8.913 6.551 -12.463 1.00 0.00 O ATOM 1508 OE2 GLU A 97 8.360 5.783 -14.399 1.00 0.00 O ATOM 0 H GLU A 97 6.483 2.714 -9.931 1.00 0.00 H new ATOM 0 HA GLU A 97 9.156 2.219 -11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.953 4.990 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.640 4.679 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.926 3.531 -13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.267 3.977 -12.737 1.00 0.00 H new ATOM 1515 N THR A 98 9.987 2.243 -8.717 1.00 0.00 N ATOM 1516 CA THR A 98 10.467 2.194 -7.340 1.00 0.00 C ATOM 1517 C THR A 98 11.702 3.074 -7.173 1.00 0.00 C ATOM 1518 O THR A 98 12.680 2.932 -7.906 1.00 0.00 O ATOM 1519 CB THR A 98 10.808 0.753 -6.956 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.861 -0.129 -7.542 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.772 0.606 -5.433 1.00 0.00 C ATOM 0 H THR A 98 10.561 1.730 -9.386 1.00 0.00 H new ATOM 0 HA THR A 98 9.678 2.566 -6.686 1.00 0.00 H new ATOM 0 HB THR A 98 11.806 0.507 -7.318 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.292 -0.510 -6.841 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.015 -0.421 -5.161 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.500 1.282 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.775 0.852 -5.067 1.00 0.00 H new ATOM 1529 N GLU A 99 11.649 3.982 -6.204 1.00 0.00 N ATOM 1530 CA GLU A 99 12.764 4.891 -5.962 1.00 0.00 C ATOM 1531 C GLU A 99 13.310 4.706 -4.550 1.00 0.00 C ATOM 1532 O GLU A 99 12.629 4.170 -3.675 1.00 0.00 O ATOM 1533 CB GLU A 99 12.308 6.339 -6.149 1.00 0.00 C ATOM 1534 CG GLU A 99 11.780 6.528 -7.572 1.00 0.00 C ATOM 1535 CD GLU A 99 12.918 6.365 -8.575 1.00 0.00 C ATOM 1536 OE1 GLU A 99 14.063 6.424 -8.158 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.627 6.182 -9.746 1.00 0.00 O ATOM 0 H GLU A 99 10.853 4.108 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 99 13.554 4.664 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.530 6.583 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.139 7.020 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.996 5.800 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.332 7.516 -7.675 1.00 0.00 H new ATOM 1544 N MET A 100 14.544 5.154 -4.335 1.00 0.00 N ATOM 1545 CA MET A 100 15.170 5.039 -3.023 1.00 0.00 C ATOM 1546 C MET A 100 14.752 6.201 -2.127 1.00 0.00 C ATOM 1547 O MET A 100 14.414 7.280 -2.611 1.00 0.00 O ATOM 1548 CB MET A 100 16.693 5.031 -3.171 1.00 0.00 C ATOM 1549 CG MET A 100 17.102 3.977 -4.202 1.00 0.00 C ATOM 1550 SD MET A 100 16.494 2.354 -3.680 1.00 0.00 S ATOM 1551 CE MET A 100 17.452 2.234 -2.149 1.00 0.00 C ATOM 0 H MET A 100 15.126 5.596 -5.047 1.00 0.00 H new ATOM 0 HA MET A 100 14.843 4.105 -2.566 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.044 6.015 -3.483 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.161 4.816 -2.210 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.695 4.232 -5.180 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.187 3.955 -4.305 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.606 1.185 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.418 2.720 -2.285 1.00 0.00 H new ATOM 0 HE3 MET A 100 16.910 2.725 -1.341 1.00 0.00 H new ATOM 1561 N PHE A 101 14.780 5.971 -0.818 1.00 0.00 N ATOM 1562 CA PHE A 101 14.389 7.001 0.137 1.00 0.00 C ATOM 1563 C PHE A 101 15.578 7.408 1.002 1.00 0.00 C ATOM 1564 O PHE A 101 16.458 8.146 0.557 1.00 0.00 O ATOM 1565 CB PHE A 101 13.259 6.486 1.030 1.00 0.00 C ATOM 1566 CG PHE A 101 12.791 7.599 1.938 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.565 8.879 1.418 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.540 7.339 3.290 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.103 9.902 2.254 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.078 8.362 4.125 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.860 9.644 3.608 1.00 0.00 C ATOM 0 H PHE A 101 15.067 5.087 -0.397 1.00 0.00 H new ATOM 0 HA PHE A 101 14.043 7.872 -0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.431 6.128 0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.606 5.640 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.747 9.077 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.703 6.349 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.934 10.891 1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.889 8.162 5.169 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.505 10.434 4.253 1.00 0.00 H new ATOM 1581 N ILE A 102 15.598 6.921 2.238 1.00 0.00 N ATOM 1582 CA ILE A 102 16.687 7.237 3.156 1.00 0.00 C ATOM 1583 C ILE A 102 17.328 5.959 3.687 1.00 0.00 C ATOM 1584 O ILE A 102 16.698 4.901 3.712 1.00 0.00 O ATOM 1585 CB ILE A 102 16.159 8.070 4.324 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.230 7.210 5.183 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.385 9.274 3.785 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.060 6.401 6.182 1.00 0.00 C ATOM 0 H ILE A 102 14.879 6.310 2.625 1.00 0.00 H new ATOM 0 HA ILE A 102 17.440 7.809 2.614 1.00 0.00 H new ATOM 0 HB ILE A 102 16.996 8.419 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.519 7.843 5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.649 6.539 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.009 9.867 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.046 9.887 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.548 8.927 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.398 5.789 6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.754 5.757 5.641 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.621 7.081 6.824 1.00 0.00 H new ATOM 1600 N GLU A 103 18.583 6.064 4.112 1.00 0.00 N ATOM 1601 CA GLU A 103 19.299 4.910 4.643 1.00 0.00 C ATOM 1602 C GLU A 103 20.055 5.286 5.914 1.00 0.00 C ATOM 1603 O GLU A 103 20.351 6.457 6.148 1.00 0.00 O ATOM 1604 CB GLU A 103 20.282 4.380 3.598 1.00 0.00 C ATOM 1605 CG GLU A 103 21.111 3.246 4.204 1.00 0.00 C ATOM 1606 CD GLU A 103 22.303 3.819 4.964 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.467 5.029 4.944 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.033 3.042 5.556 1.00 0.00 O ATOM 0 H GLU A 103 19.122 6.930 4.099 1.00 0.00 H new ATOM 0 HA GLU A 103 18.572 4.134 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.740 4.021 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 103 20.937 5.183 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 103 20.492 2.652 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.459 2.578 3.416 1.00 0.00 H new ATOM 1615 N GLY A 104 20.365 4.283 6.730 1.00 0.00 N ATOM 1616 CA GLY A 104 21.091 4.519 7.972 1.00 0.00 C ATOM 1617 C GLY A 104 20.264 4.085 9.177 1.00 0.00 C ATOM 1618 O GLY A 104 19.343 3.278 9.052 1.00 0.00 O ATOM 0 H GLY A 104 20.127 3.307 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.033 3.972 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.338 5.577 8.058 1.00 0.00 H new ATOM 1622 N ARG A 105 20.598 4.626 10.345 1.00 0.00 N ATOM 1623 CA ARG A 105 19.883 4.282 11.568 1.00 0.00 C ATOM 1624 C ARG A 105 18.750 5.272 11.821 1.00 0.00 C ATOM 1625 O ARG A 105 18.900 6.472 11.592 1.00 0.00 O ATOM 1626 CB ARG A 105 20.846 4.290 12.757 1.00 0.00 C ATOM 1627 CG ARG A 105 20.164 3.660 13.972 1.00 0.00 C ATOM 1628 CD ARG A 105 21.116 3.698 15.170 1.00 0.00 C ATOM 1629 NE ARG A 105 20.535 2.983 16.300 1.00 0.00 N ATOM 1630 CZ ARG A 105 19.646 3.567 17.099 1.00 0.00 C ATOM 1631 NH1 ARG A 105 19.277 4.798 16.873 1.00 0.00 N ATOM 1632 NH2 ARG A 105 19.146 2.910 18.108 1.00 0.00 N ATOM 0 H ARG A 105 21.354 5.300 10.470 1.00 0.00 H new ATOM 0 HA ARG A 105 19.460 3.284 11.451 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.752 3.737 12.508 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.149 5.312 12.986 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.246 4.199 14.207 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.882 2.631 13.751 1.00 0.00 H new ATOM 0 HD2 ARG A 105 22.071 3.249 14.899 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.318 4.732 15.450 1.00 0.00 H new ATOM 0 HE ARG A 105 20.815 2.019 16.481 1.00 0.00 H new ATOM 0 HH11 ARG A 105 19.670 5.312 16.084 1.00 0.00 H new ATOM 0 HH12 ARG A 105 18.595 5.247 17.485 1.00 0.00 H new ATOM 0 HH21 ARG A 105 19.436 1.948 18.285 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.464 3.358 18.721 1.00 0.00 H new ATOM 1646 N VAL A 106 17.615 4.761 12.289 1.00 0.00 N ATOM 1647 CA VAL A 106 16.464 5.613 12.565 1.00 0.00 C ATOM 1648 C VAL A 106 15.994 5.437 14.005 1.00 0.00 C ATOM 1649 O VAL A 106 15.902 4.317 14.507 1.00 0.00 O ATOM 1650 CB VAL A 106 15.320 5.270 11.609 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.304 6.413 11.595 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.879 5.071 10.198 1.00 0.00 C ATOM 0 H VAL A 106 17.468 3.770 12.483 1.00 0.00 H new ATOM 0 HA VAL A 106 16.764 6.651 12.419 1.00 0.00 H new ATOM 0 HB VAL A 106 14.832 4.354 11.942 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.489 6.167 10.914 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.906 6.558 12.599 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.792 7.329 11.262 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.065 4.826 9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.367 5.988 9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.604 4.257 10.205 1.00 0.00 H new ATOM 1662 N ASN A 107 15.693 6.552 14.661 1.00 0.00 N ATOM 1663 CA ASN A 107 15.232 6.517 16.045 1.00 0.00 C ATOM 1664 C ASN A 107 14.282 7.678 16.317 1.00 0.00 C ATOM 1665 O ASN A 107 14.673 8.844 16.236 1.00 0.00 O ATOM 1666 CB ASN A 107 16.427 6.598 16.999 1.00 0.00 C ATOM 1667 CG ASN A 107 17.566 7.370 16.342 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.983 7.039 15.232 1.00 0.00 O ATOM 1669 ND2 ASN A 107 18.099 8.384 16.966 1.00 0.00 N ATOM 0 H ASN A 107 15.759 7.487 14.260 1.00 0.00 H new ATOM 0 HA ASN A 107 14.702 5.579 16.210 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.131 7.089 17.926 1.00 0.00 H new ATOM 0 HB3 ASN A 107 16.761 5.595 17.263 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.863 8.904 16.534 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.752 8.657 17.886 1.00 0.00 H new ATOM 1676 N GLY A 108 13.032 7.356 16.634 1.00 0.00 N ATOM 1677 CA GLY A 108 12.038 8.385 16.914 1.00 0.00 C ATOM 1678 C GLY A 108 11.878 9.317 15.718 1.00 0.00 C ATOM 1679 O GLY A 108 12.691 10.217 15.508 1.00 0.00 O ATOM 0 H GLY A 108 12.686 6.399 16.703 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.081 7.919 17.149 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.338 8.958 17.791 1.00 0.00 H new ATOM 1683 N PHE A 109 10.829 9.094 14.932 1.00 0.00 N ATOM 1684 CA PHE A 109 10.586 9.917 13.754 1.00 0.00 C ATOM 1685 C PHE A 109 9.099 9.949 13.414 1.00 0.00 C ATOM 1686 O PHE A 109 8.342 9.062 13.808 1.00 0.00 O ATOM 1687 CB PHE A 109 11.369 9.360 12.564 1.00 0.00 C ATOM 1688 CG PHE A 109 11.009 7.907 12.363 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.580 6.925 13.181 1.00 0.00 C ATOM 1690 CD2 PHE A 109 10.096 7.544 11.366 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.238 5.579 13.000 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.755 6.199 11.186 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.326 5.216 12.003 1.00 0.00 C ATOM 0 H PHE A 109 10.140 8.358 15.088 1.00 0.00 H new ATOM 0 HA PHE A 109 10.917 10.933 13.969 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.140 9.931 11.664 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.440 9.460 12.740 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.284 7.205 13.951 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.655 8.302 10.736 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.679 4.821 13.630 1.00 0.00 H new ATOM 0 HE2 PHE A 109 9.051 5.919 10.416 1.00 0.00 H new ATOM 0 HZ PHE A 109 10.063 4.178 11.864 1.00 0.00 H new ATOM 1703 N LYS A 110 8.691 10.976 12.674 1.00 0.00 N ATOM 1704 CA LYS A 110 7.298 11.106 12.266 1.00 0.00 C ATOM 1705 C LYS A 110 7.156 10.843 10.770 1.00 0.00 C ATOM 1706 O LYS A 110 7.936 11.351 9.964 1.00 0.00 O ATOM 1707 CB LYS A 110 6.787 12.512 12.590 1.00 0.00 C ATOM 1708 CG LYS A 110 6.845 12.740 14.103 1.00 0.00 C ATOM 1709 CD LYS A 110 6.059 14.003 14.461 1.00 0.00 C ATOM 1710 CE LYS A 110 6.709 15.215 13.793 1.00 0.00 C ATOM 1711 NZ LYS A 110 6.244 15.313 12.380 1.00 0.00 N ATOM 0 H LYS A 110 9.301 11.725 12.347 1.00 0.00 H new ATOM 0 HA LYS A 110 6.707 10.371 12.813 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.393 13.258 12.076 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.764 12.630 12.233 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.429 11.880 14.627 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.881 12.840 14.427 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.024 13.905 14.133 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.039 14.138 15.542 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.451 16.124 14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.795 15.122 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.030 15.083 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.463 14.644 12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.914 16.281 12.189 1.00 0.00 H new ATOM 1725 N SER A 111 6.160 10.041 10.407 1.00 0.00 N ATOM 1726 CA SER A 111 5.940 9.699 9.006 1.00 0.00 C ATOM 1727 C SER A 111 4.594 10.232 8.521 1.00 0.00 C ATOM 1728 O SER A 111 3.576 10.085 9.197 1.00 0.00 O ATOM 1729 CB SER A 111 5.981 8.182 8.830 1.00 0.00 C ATOM 1730 OG SER A 111 7.176 7.675 9.412 1.00 0.00 O ATOM 0 H SER A 111 5.497 9.619 11.057 1.00 0.00 H new ATOM 0 HA SER A 111 6.731 10.159 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.111 7.726 9.302 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.941 7.926 7.771 1.00 0.00 H new ATOM 0 HG SER A 111 7.206 6.702 9.303 1.00 0.00 H new ATOM 1736 N LYS A 112 4.602 10.847 7.343 1.00 0.00 N ATOM 1737 CA LYS A 112 3.377 11.379 6.756 1.00 0.00 C ATOM 1738 C LYS A 112 3.321 11.052 5.267 1.00 0.00 C ATOM 1739 O LYS A 112 4.240 11.378 4.517 1.00 0.00 O ATOM 1740 CB LYS A 112 3.314 12.895 6.951 1.00 0.00 C ATOM 1741 CG LYS A 112 1.956 13.414 6.479 1.00 0.00 C ATOM 1742 CD LYS A 112 1.901 14.934 6.651 1.00 0.00 C ATOM 1743 CE LYS A 112 0.493 15.434 6.319 1.00 0.00 C ATOM 1744 NZ LYS A 112 0.226 15.233 4.867 1.00 0.00 N ATOM 0 H LYS A 112 5.439 10.989 6.778 1.00 0.00 H new ATOM 0 HA LYS A 112 2.525 10.918 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.465 13.144 8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.115 13.378 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.798 13.150 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.156 12.944 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.163 15.205 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.632 15.411 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.245 14.896 6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.400 16.490 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.626 15.763 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.038 15.575 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.080 14.221 4.678 1.00 0.00 H new ATOM 1758 N MET A 113 2.240 10.401 4.846 1.00 0.00 N ATOM 1759 CA MET A 113 2.090 10.022 3.445 1.00 0.00 C ATOM 1760 C MET A 113 0.715 10.418 2.916 1.00 0.00 C ATOM 1761 O MET A 113 -0.172 10.797 3.680 1.00 0.00 O ATOM 1762 CB MET A 113 2.279 8.512 3.293 1.00 0.00 C ATOM 1763 CG MET A 113 3.737 8.148 3.575 1.00 0.00 C ATOM 1764 SD MET A 113 4.015 6.408 3.162 1.00 0.00 S ATOM 1765 CE MET A 113 3.291 5.701 4.662 1.00 0.00 C ATOM 0 H MET A 113 1.463 10.128 5.448 1.00 0.00 H new ATOM 0 HA MET A 113 2.849 10.548 2.867 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.621 7.982 3.982 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.004 8.200 2.285 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.401 8.783 2.989 1.00 0.00 H new ATOM 0 HG3 MET A 113 3.971 8.326 4.625 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.543 4.642 4.723 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.686 6.219 5.536 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.207 5.815 4.632 1.00 0.00 H new ATOM 1775 N ASP A 114 0.549 10.322 1.600 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.718 10.667 0.967 1.00 0.00 C ATOM 1777 C ASP A 114 -0.763 10.124 -0.458 1.00 0.00 C ATOM 1778 O ASP A 114 0.243 9.643 -0.981 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.897 12.186 0.945 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.360 12.536 0.701 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.154 11.619 0.568 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.667 13.715 0.651 1.00 0.00 O ATOM 0 H ASP A 114 1.274 10.009 0.954 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.527 10.218 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.566 12.613 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.275 12.622 0.163 1.00 0.00 H new ATOM 1787 N ALA A 115 -1.934 10.200 -1.083 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.090 9.715 -2.451 1.00 0.00 C ATOM 1789 C ALA A 115 -2.735 10.779 -3.331 1.00 0.00 C ATOM 1790 O ALA A 115 -3.959 10.858 -3.431 1.00 0.00 O ATOM 1791 CB ALA A 115 -2.952 8.451 -2.462 1.00 0.00 C ATOM 0 H ALA A 115 -2.781 10.589 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.101 9.485 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.064 8.096 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.473 7.679 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.934 8.677 -2.047 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.902 11.596 -3.968 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.401 12.663 -4.827 1.00 0.00 C ATOM 1799 C LEU A 116 -2.628 12.146 -6.245 1.00 0.00 C ATOM 1800 O LEU A 116 -2.168 11.062 -6.603 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.401 13.821 -4.855 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.953 14.140 -3.428 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.157 15.193 -3.462 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -2.142 14.682 -2.632 1.00 0.00 C ATOM 0 H LEU A 116 -0.885 11.540 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.351 13.015 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.539 13.557 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.858 14.700 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.578 13.233 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.475 15.419 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.005 14.810 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.217 16.101 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.825 14.910 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.515 15.589 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.934 13.934 -2.606 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.329 12.901 -7.046 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.626 12.523 -8.459 1.00 0.00 C ATOM 1818 C PRO A 117 -2.483 12.890 -9.403 1.00 0.00 C ATOM 1819 O PRO A 117 -1.945 13.995 -9.343 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.889 13.320 -8.798 1.00 0.00 C ATOM 1821 CG PRO A 117 -5.221 14.090 -7.562 1.00 0.00 C ATOM 1822 CD PRO A 117 -3.929 14.198 -6.755 1.00 0.00 C ATOM 0 HA PRO A 117 -3.756 11.447 -8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.716 13.988 -9.642 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.707 12.657 -9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.605 15.079 -7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.996 13.584 -6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.303 15.028 -7.083 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.115 14.340 -5.690 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.120 11.955 -10.276 1.00 0.00 N ATOM 1831 CA LEU A 118 -1.038 12.192 -11.226 1.00 0.00 C ATOM 1832 C LEU A 118 -1.315 13.448 -12.045 1.00 0.00 C ATOM 1833 O LEU A 118 -2.333 13.541 -12.731 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.890 10.993 -12.164 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.625 9.729 -11.344 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.012 8.500 -12.164 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.861 9.655 -10.987 1.00 0.00 C ATOM 0 H LEU A 118 -2.554 11.035 -10.346 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.113 12.329 -10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.795 10.870 -12.758 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.071 11.164 -12.862 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.218 9.758 -10.430 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.823 7.599 -11.580 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.070 8.552 -12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.419 8.471 -13.078 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.050 8.755 -10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.454 9.626 -11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.139 10.532 -10.402 1.00 0.00 H new ATOM 1849 N SER A 119 -0.403 14.411 -11.969 1.00 0.00 N ATOM 1850 CA SER A 119 -0.561 15.659 -12.704 1.00 0.00 C ATOM 1851 C SER A 119 0.167 15.590 -14.042 1.00 0.00 C ATOM 1852 O SER A 119 0.498 14.507 -14.524 1.00 0.00 O ATOM 1853 CB SER A 119 -0.010 16.823 -11.880 1.00 0.00 C ATOM 1854 OG SER A 119 -0.568 18.041 -12.356 1.00 0.00 O ATOM 0 H SER A 119 0.448 14.352 -11.410 1.00 0.00 H new ATOM 0 HA SER A 119 -1.623 15.817 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.254 16.685 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.077 16.854 -11.954 1.00 0.00 H new ATOM 0 HG SER A 119 -0.218 18.789 -11.829 1.00 0.00 H new ATOM 1860 N GLU A 120 0.415 16.752 -14.635 1.00 0.00 N ATOM 1861 CA GLU A 120 1.104 16.810 -15.919 1.00 0.00 C ATOM 1862 C GLU A 120 2.533 16.296 -15.780 1.00 0.00 C ATOM 1863 O GLU A 120 3.095 15.735 -16.721 1.00 0.00 O ATOM 1864 CB GLU A 120 1.124 18.249 -16.438 1.00 0.00 C ATOM 1865 CG GLU A 120 2.021 19.104 -15.542 1.00 0.00 C ATOM 1866 CD GLU A 120 1.850 20.579 -15.890 1.00 0.00 C ATOM 1867 OE1 GLU A 120 1.132 20.865 -16.833 1.00 0.00 O ATOM 1868 OE2 GLU A 120 2.442 21.400 -15.209 1.00 0.00 O ATOM 0 H GLU A 120 0.152 17.660 -14.251 1.00 0.00 H new ATOM 0 HA GLU A 120 0.569 16.178 -16.628 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.491 18.271 -17.464 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.113 18.656 -16.452 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.768 18.937 -14.495 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.063 18.810 -15.669 1.00 0.00 H new ATOM 1875 N GLU A 121 3.115 16.493 -14.602 1.00 0.00 N ATOM 1876 CA GLU A 121 4.479 16.046 -14.350 1.00 0.00 C ATOM 1877 C GLU A 121 4.623 14.562 -14.673 1.00 0.00 C ATOM 1878 O GLU A 121 5.502 14.166 -15.440 1.00 0.00 O ATOM 1879 CB GLU A 121 4.849 16.291 -12.887 1.00 0.00 C ATOM 1880 CG GLU A 121 6.294 15.848 -12.643 1.00 0.00 C ATOM 1881 CD GLU A 121 6.704 16.174 -11.212 1.00 0.00 C ATOM 1882 OE1 GLU A 121 5.865 16.660 -10.471 1.00 0.00 O ATOM 1883 OE2 GLU A 121 7.852 15.933 -10.875 1.00 0.00 O ATOM 0 H GLU A 121 2.667 16.956 -13.812 1.00 0.00 H new ATOM 0 HA GLU A 121 5.152 16.614 -14.992 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.736 17.348 -12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.173 15.740 -12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.390 14.777 -12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.960 16.350 -13.344 1.00 0.00 H new ATOM 1890 N TYR A 122 3.755 13.747 -14.084 1.00 0.00 N ATOM 1891 CA TYR A 122 3.789 12.309 -14.325 1.00 0.00 C ATOM 1892 C TYR A 122 3.674 12.017 -15.817 1.00 0.00 C ATOM 1893 O TYR A 122 4.396 11.176 -16.353 1.00 0.00 O ATOM 1894 CB TYR A 122 2.642 11.624 -13.579 1.00 0.00 C ATOM 1895 CG TYR A 122 2.487 10.210 -14.086 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.466 9.251 -13.797 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.360 9.855 -14.835 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.316 7.937 -14.255 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.211 8.542 -15.296 1.00 0.00 C ATOM 1900 CZ TYR A 122 2.189 7.583 -15.006 1.00 0.00 C ATOM 1901 OH TYR A 122 2.042 6.288 -15.460 1.00 0.00 O ATOM 0 H TYR A 122 3.025 14.054 -13.441 1.00 0.00 H new ATOM 0 HA TYR A 122 4.740 11.920 -13.960 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.843 11.618 -12.508 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.715 12.179 -13.726 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.337 9.526 -13.221 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.605 10.594 -15.058 1.00 0.00 H new ATOM 0 HE1 TYR A 122 4.069 7.197 -14.029 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.342 8.269 -15.875 1.00 0.00 H new ATOM 0 HH TYR A 122 1.205 6.211 -15.963 1.00 0.00 H new ATOM 1911 N ARG A 123 2.763 12.719 -16.483 1.00 0.00 N ATOM 1912 CA ARG A 123 2.562 12.527 -17.915 1.00 0.00 C ATOM 1913 C ARG A 123 3.858 12.791 -18.675 1.00 0.00 C ATOM 1914 O ARG A 123 4.226 12.036 -19.575 1.00 0.00 O ATOM 1915 CB ARG A 123 1.471 13.472 -18.421 1.00 0.00 C ATOM 1916 CG ARG A 123 0.158 13.172 -17.696 1.00 0.00 C ATOM 1917 CD ARG A 123 -0.975 13.976 -18.336 1.00 0.00 C ATOM 1918 NE ARG A 123 -2.194 13.847 -17.547 1.00 0.00 N ATOM 1919 CZ ARG A 123 -3.337 14.387 -17.955 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -3.380 15.051 -19.077 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -4.415 14.254 -17.233 1.00 0.00 N ATOM 0 H ARG A 123 2.157 13.421 -16.058 1.00 0.00 H new ATOM 0 HA ARG A 123 2.255 11.495 -18.086 1.00 0.00 H new ATOM 0 HB2 ARG A 123 1.764 14.508 -18.250 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.341 13.351 -19.496 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.063 12.106 -17.749 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.247 13.427 -16.640 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.690 15.026 -18.408 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.152 13.623 -19.352 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.169 13.333 -16.666 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.536 15.155 -19.641 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.257 15.466 -19.391 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -4.380 13.735 -16.355 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -5.293 14.669 -17.546 1.00 0.00 H new ATOM 1935 N GLN A 124 4.545 13.866 -18.306 1.00 0.00 N ATOM 1936 CA GLN A 124 5.804 14.217 -18.952 1.00 0.00 C ATOM 1937 C GLN A 124 6.903 13.241 -18.547 1.00 0.00 C ATOM 1938 O GLN A 124 7.746 12.866 -19.363 1.00 0.00 O ATOM 1939 CB GLN A 124 6.212 15.639 -18.564 1.00 0.00 C ATOM 1940 CG GLN A 124 7.363 16.102 -19.460 1.00 0.00 C ATOM 1941 CD GLN A 124 6.848 16.371 -20.870 1.00 0.00 C ATOM 1942 OE1 GLN A 124 6.014 17.256 -21.068 1.00 0.00 O ATOM 1943 NE2 GLN A 124 7.297 15.658 -21.865 1.00 0.00 N ATOM 0 H GLN A 124 4.254 14.506 -17.567 1.00 0.00 H new ATOM 0 HA GLN A 124 5.665 14.162 -20.032 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.362 16.314 -18.668 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.517 15.669 -17.518 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.814 17.006 -19.050 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.143 15.341 -19.487 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.987 14.926 -21.697 1.00 0.00 H new ATOM 0 HE22 GLN A 124 6.958 15.832 -22.811 1.00 0.00 H new ATOM 1952 N HIS A 125 6.889 12.833 -17.282 1.00 0.00 N ATOM 1953 CA HIS A 125 7.888 11.898 -16.780 1.00 0.00 C ATOM 1954 C HIS A 125 7.976 10.673 -17.684 1.00 0.00 C ATOM 1955 O HIS A 125 9.061 10.280 -18.110 1.00 0.00 O ATOM 1956 CB HIS A 125 7.528 11.462 -15.359 1.00 0.00 C ATOM 1957 CG HIS A 125 8.277 10.204 -15.016 1.00 0.00 C ATOM 1958 ND1 HIS A 125 9.503 10.228 -14.369 1.00 0.00 N ATOM 1959 CD2 HIS A 125 7.957 8.878 -15.164 1.00 0.00 C ATOM 1960 CE1 HIS A 125 9.869 8.952 -14.148 1.00 0.00 C ATOM 1961 NE2 HIS A 125 8.965 8.089 -14.618 1.00 0.00 N ATOM 0 H HIS A 125 6.202 13.133 -16.590 1.00 0.00 H new ATOM 0 HA HIS A 125 8.856 12.399 -16.771 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.778 12.252 -14.650 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.454 11.292 -15.280 1.00 0.00 H new ATOM 0 HD2 HIS A 125 7.059 8.503 -15.633 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.783 8.661 -13.651 1.00 0.00 H new ATOM 0 HE2 HIS A 125 9.005 7.070 -14.584 1.00 0.00 H new ATOM 1970 N GLN A 126 6.825 10.075 -17.973 1.00 0.00 N ATOM 1971 CA GLN A 126 6.780 8.899 -18.832 1.00 0.00 C ATOM 1972 C GLN A 126 7.217 9.255 -20.250 1.00 0.00 C ATOM 1973 O GLN A 126 7.863 8.458 -20.930 1.00 0.00 O ATOM 1974 CB GLN A 126 5.361 8.327 -18.861 1.00 0.00 C ATOM 1975 CG GLN A 126 4.968 7.866 -17.456 1.00 0.00 C ATOM 1976 CD GLN A 126 5.836 6.685 -17.032 1.00 0.00 C ATOM 1977 OE1 GLN A 126 6.433 6.017 -17.877 1.00 0.00 O ATOM 1978 NE2 GLN A 126 5.942 6.386 -15.766 1.00 0.00 N ATOM 0 H GLN A 126 5.916 10.383 -17.627 1.00 0.00 H new ATOM 0 HA GLN A 126 7.464 8.152 -18.430 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.660 9.082 -19.217 1.00 0.00 H new ATOM 0 HB3 GLN A 126 5.309 7.490 -19.558 1.00 0.00 H new ATOM 0 HG2 GLN A 126 5.086 8.687 -16.749 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.916 7.580 -17.439 1.00 0.00 H new ATOM 0 HE21 GLN A 126 5.447 6.941 -15.068 1.00 0.00 H new ATOM 0 HE22 GLN A 126 6.520 5.598 -15.475 1.00 0.00 H new ATOM 1987 N ALA A 127 6.860 10.458 -20.688 1.00 0.00 N ATOM 1988 CA ALA A 127 7.227 10.913 -22.024 1.00 0.00 C ATOM 1989 C ALA A 127 8.742 11.029 -22.151 1.00 0.00 C ATOM 1990 O ALA A 127 9.315 10.708 -23.193 1.00 0.00 O ATOM 1991 CB ALA A 127 6.584 12.272 -22.309 1.00 0.00 C ATOM 0 H ALA A 127 6.321 11.131 -20.142 1.00 0.00 H new ATOM 0 HA ALA A 127 6.867 10.182 -22.748 1.00 0.00 H new ATOM 0 HB1 ALA A 127 6.863 12.604 -23.309 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.500 12.182 -22.246 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.930 13.000 -21.575 1.00 0.00 H new ATOM 1997 N GLU A 128 9.387 11.487 -21.083 1.00 0.00 N ATOM 1998 CA GLU A 128 10.838 11.630 -21.080 1.00 0.00 C ATOM 1999 C GLU A 128 11.511 10.275 -21.267 1.00 0.00 C ATOM 2000 O GLU A 128 12.603 10.184 -21.828 1.00 0.00 O ATOM 2001 CB GLU A 128 11.300 12.253 -19.761 1.00 0.00 C ATOM 2002 CG GLU A 128 10.875 13.722 -19.714 1.00 0.00 C ATOM 2003 CD GLU A 128 11.669 14.528 -20.737 1.00 0.00 C ATOM 2004 OE1 GLU A 128 12.678 14.025 -21.204 1.00 0.00 O ATOM 2005 OE2 GLU A 128 11.256 15.635 -21.040 1.00 0.00 O ATOM 0 H GLU A 128 8.931 11.764 -20.214 1.00 0.00 H new ATOM 0 HA GLU A 128 11.121 12.281 -21.908 1.00 0.00 H new ATOM 0 HB2 GLU A 128 10.868 11.711 -18.920 1.00 0.00 H new ATOM 0 HB3 GLU A 128 12.383 12.174 -19.669 1.00 0.00 H new ATOM 0 HG2 GLU A 128 9.808 13.807 -19.921 1.00 0.00 H new ATOM 0 HG3 GLU A 128 11.039 14.125 -18.715 1.00 0.00 H new ATOM 2012 N LYS A 129 10.851 9.222 -20.794 1.00 0.00 N ATOM 2013 CA LYS A 129 11.394 7.875 -20.916 1.00 0.00 C ATOM 2014 C LYS A 129 11.172 7.333 -22.324 1.00 0.00 C ATOM 2015 O LYS A 129 11.613 6.231 -22.652 1.00 0.00 O ATOM 2016 CB LYS A 129 10.725 6.948 -19.899 1.00 0.00 C ATOM 2017 CG LYS A 129 11.195 7.311 -18.489 1.00 0.00 C ATOM 2018 CD LYS A 129 10.477 6.427 -17.467 1.00 0.00 C ATOM 2019 CE LYS A 129 11.153 6.570 -16.103 1.00 0.00 C ATOM 2020 NZ LYS A 129 11.615 7.974 -15.922 1.00 0.00 N ATOM 0 H LYS A 129 9.946 9.275 -20.326 1.00 0.00 H new ATOM 0 HA LYS A 129 12.465 7.917 -20.720 1.00 0.00 H new ATOM 0 HB2 LYS A 129 9.641 7.039 -19.967 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.972 5.910 -20.120 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.274 7.176 -18.408 1.00 0.00 H new ATOM 0 HG3 LYS A 129 10.989 8.362 -18.285 1.00 0.00 H new ATOM 0 HD2 LYS A 129 9.428 6.714 -17.396 1.00 0.00 H new ATOM 0 HD3 LYS A 129 10.502 5.386 -17.790 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.456 6.300 -15.310 1.00 0.00 H new ATOM 0 HE3 LYS A 129 11.998 5.886 -16.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 11.775 8.159 -14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 12.503 8.118 -16.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 10.891 8.627 -16.283 1.00 0.00 H new ATOM 2034 N ASP A 130 10.487 8.115 -23.152 1.00 0.00 N ATOM 2035 CA ASP A 130 10.214 7.703 -24.524 1.00 0.00 C ATOM 2036 C ASP A 130 9.505 6.352 -24.548 1.00 0.00 C ATOM 2037 O ASP A 130 9.856 5.471 -25.332 1.00 0.00 O ATOM 2038 CB ASP A 130 11.522 7.610 -25.312 1.00 0.00 C ATOM 2039 CG ASP A 130 12.166 8.987 -25.418 1.00 0.00 C ATOM 2040 OD1 ASP A 130 11.487 9.960 -25.138 1.00 0.00 O ATOM 2041 OD2 ASP A 130 13.331 9.049 -25.778 1.00 0.00 O ATOM 0 H ASP A 130 10.113 9.030 -22.900 1.00 0.00 H new ATOM 0 HA ASP A 130 9.565 8.448 -24.984 1.00 0.00 H new ATOM 0 HB2 ASP A 130 12.204 6.917 -24.819 1.00 0.00 H new ATOM 0 HB3 ASP A 130 11.328 7.212 -26.308 1.00 0.00 H new ATOM 2046 N LYS A 131 8.508 6.197 -23.683 1.00 0.00 N ATOM 2047 CA LYS A 131 7.758 4.949 -23.613 1.00 0.00 C ATOM 2048 C LYS A 131 7.156 4.608 -24.974 1.00 0.00 C ATOM 2049 O LYS A 131 7.199 3.447 -25.345 1.00 0.00 O ATOM 2050 CB LYS A 131 6.641 5.068 -22.575 1.00 0.00 C ATOM 2051 CG LYS A 131 5.991 3.699 -22.365 1.00 0.00 C ATOM 2052 CD LYS A 131 4.847 3.826 -21.355 1.00 0.00 C ATOM 2053 CE LYS A 131 4.271 2.440 -21.060 1.00 0.00 C ATOM 2054 NZ LYS A 131 5.302 1.608 -20.378 1.00 0.00 N ATOM 2055 OXT LYS A 131 6.662 5.515 -25.624 1.00 0.00 O ATOM 0 H LYS A 131 8.203 6.914 -23.025 1.00 0.00 H new ATOM 0 HA LYS A 131 8.442 4.152 -23.321 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.044 5.439 -21.633 1.00 0.00 H new ATOM 0 HB3 LYS A 131 5.895 5.789 -22.909 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.613 3.315 -23.312 1.00 0.00 H new ATOM 0 HG3 LYS A 131 6.731 2.985 -22.004 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.209 4.284 -20.435 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.069 4.478 -21.751 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.386 2.529 -20.431 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.956 1.960 -21.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 4.836 0.849 -19.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.936 1.190 -21.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 5.854 2.203 -19.728 1.00 0.00 H new TER 2069 LYS A 131