USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=42 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 122 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 126 GLN :FLIP amide:sc= -3.42! C(o=-6.7!,f=-3.4!) USER MOD Set 2.1: A 69 CYS SG : rot -66:sc= -6.3! USER MOD Set 2.2: A 107 ASN : amide:sc= -1.71! C(o=-8!,f=-22!) USER MOD Set 3.1: A 56 GLN : amide:sc= -4.88! C(o=-5.3!,f=-7.6!) USER MOD Set 3.2: A 57 TYR OH : rot 126:sc= -0.401 USER MOD Set 4.1: A 52 ASN : amide:sc= -3.39! C(o=-6.6!,f=-14!) USER MOD Set 4.2: A 54 THR OG1 : rot 123:sc= -2.01! USER MOD Set 4.3: A 59 MET CE :methyl 166:sc= -1.22 (180deg=-0.115) USER MOD Set 5.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 98 THR OG1 : rot 110:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.242 (180deg=-1.24) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.829 K(o=-0.83,f=-4.1!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc=-0.00294 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.58 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.49 F(o=-7.1!,f=-2.5) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0302 (180deg=-0.524) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -0.0689 (180deg=-0.478) USER MOD Single : A 34 ASN : amide:sc= -1.8 X(o=-1.8,f=-2.1!) USER MOD Single : A 42 ASN : amide:sc= -4.66! C(o=-4.7!,f=-8.6!) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.0476 (180deg=-0.411) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.283 (180deg=-1.03) USER MOD Single : A 47 GLN : amide:sc= -1.25! X(o=-1.2!,f=-0.98) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 155:sc= 0.226 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -5.25! C(o=-5.2!,f=-8.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.54) USER MOD Single : A 72 LYS NZ :NH3+ -116:sc= -1.78 (180deg=-4.29!) USER MOD Single : A 76 LYS NZ :NH3+ -113:sc= -2.2 (180deg=-4.79!) USER MOD Single : A 77 THR OG1 : rot 130:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.243) USER MOD Single : A 81 GLN : amide:sc= -2.3 K(o=-2.3,f=-3.9!) USER MOD Single : A 82 GLN : amide:sc= -1.85! C(o=-1.9!,f=-1.5!) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.81 F(o=-13!,f=-3.8) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -79:sc= 1.13 USER MOD Single : A 96 CYS SG : rot 180:sc= -0.492 USER MOD Single : A 100 MET CE :methyl -150:sc= -0.477 (180deg=-3.12!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 123:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -156:sc= -0.229 (180deg=-1.54) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.77) USER MOD Single : A 125 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-5.9!) USER MOD Single : A 129 LYS NZ :NH3+ 159:sc= -1.58! (180deg=-2.32) USER MOD Single : A 131 LYS NZ :NH3+ -164:sc= -0.0106 (180deg=-0.383) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.900 -18.048 27.098 1.00 0.00 N ATOM 2 CA MET A 1 2.004 -17.651 25.666 1.00 0.00 C ATOM 3 C MET A 1 1.381 -16.272 25.476 1.00 0.00 C ATOM 4 O MET A 1 1.796 -15.506 24.607 1.00 0.00 O ATOM 5 CB MET A 1 1.273 -18.678 24.799 1.00 0.00 C ATOM 6 CG MET A 1 1.888 -20.062 25.019 1.00 0.00 C ATOM 7 SD MET A 1 3.597 -20.065 24.425 1.00 0.00 S ATOM 8 CE MET A 1 4.256 -21.237 25.636 1.00 0.00 C ATOM 0 H1 MET A 1 2.628 -18.758 27.315 1.00 0.00 H new ATOM 0 H2 MET A 1 2.040 -17.212 27.701 1.00 0.00 H new ATOM 0 H3 MET A 1 0.959 -18.451 27.279 1.00 0.00 H new ATOM 0 HA MET A 1 3.052 -17.614 25.370 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.213 -18.695 25.052 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.345 -18.399 23.748 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.859 -20.320 26.078 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.307 -20.818 24.491 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.319 -21.390 25.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.115 -20.840 26.641 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.731 -22.188 25.545 1.00 0.00 H new ATOM 18 N GLY A 2 0.382 -15.962 26.296 1.00 0.00 N ATOM 19 CA GLY A 2 -0.292 -14.672 26.209 1.00 0.00 C ATOM 20 C GLY A 2 -1.314 -14.666 25.078 1.00 0.00 C ATOM 21 O GLY A 2 -1.625 -13.617 24.515 1.00 0.00 O ATOM 0 H GLY A 2 0.024 -16.581 27.023 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.789 -14.452 27.154 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.443 -13.884 26.044 1.00 0.00 H new ATOM 25 N CYS A 3 -1.832 -15.845 24.750 1.00 0.00 N ATOM 26 CA CYS A 3 -2.820 -15.964 23.683 1.00 0.00 C ATOM 27 C CYS A 3 -2.285 -15.360 22.389 1.00 0.00 C ATOM 28 O CYS A 3 -3.007 -15.252 21.398 1.00 0.00 O ATOM 29 CB CYS A 3 -4.113 -15.251 24.085 1.00 0.00 C ATOM 30 SG CYS A 3 -4.815 -16.055 25.547 1.00 0.00 S ATOM 0 H CYS A 3 -1.587 -16.725 25.203 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.025 -17.022 23.520 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.911 -14.201 24.296 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.828 -15.280 23.262 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.912 -15.449 25.891 1.00 0.00 H new ATOM 36 N GLY A 4 -1.015 -14.969 22.405 1.00 0.00 N ATOM 37 CA GLY A 4 -0.393 -14.376 21.227 1.00 0.00 C ATOM 38 C GLY A 4 1.115 -14.249 21.412 1.00 0.00 C ATOM 39 O GLY A 4 1.582 -13.544 22.307 1.00 0.00 O ATOM 0 H GLY A 4 -0.400 -15.051 23.215 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.605 -14.989 20.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.824 -13.393 21.040 1.00 0.00 H new ATOM 43 N ALA A 5 1.870 -14.935 20.560 1.00 0.00 N ATOM 44 CA ALA A 5 3.326 -14.891 20.640 1.00 0.00 C ATOM 45 C ALA A 5 3.840 -13.499 20.285 1.00 0.00 C ATOM 46 O ALA A 5 3.290 -12.828 19.412 1.00 0.00 O ATOM 47 CB ALA A 5 3.933 -15.921 19.686 1.00 0.00 C ATOM 0 H ALA A 5 1.502 -15.523 19.812 1.00 0.00 H new ATOM 0 HA ALA A 5 3.623 -15.125 21.662 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.020 -15.882 19.752 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.589 -16.918 19.960 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.623 -15.698 18.665 1.00 0.00 H new ATOM 53 N SER A 6 4.899 -13.073 20.967 1.00 0.00 N ATOM 54 CA SER A 6 5.478 -11.758 20.714 1.00 0.00 C ATOM 55 C SER A 6 5.919 -11.638 19.259 1.00 0.00 C ATOM 56 O SER A 6 5.842 -10.563 18.664 1.00 0.00 O ATOM 57 CB SER A 6 6.679 -11.533 21.633 1.00 0.00 C ATOM 58 OG SER A 6 7.112 -10.184 21.516 1.00 0.00 O ATOM 0 H SER A 6 5.370 -13.613 21.693 1.00 0.00 H new ATOM 0 HA SER A 6 4.719 -11.002 20.915 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.408 -11.752 22.666 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.489 -12.212 21.365 1.00 0.00 H new ATOM 0 HG SER A 6 7.881 -10.035 22.105 1.00 0.00 H new ATOM 64 N SER A 7 6.380 -12.748 18.691 1.00 0.00 N ATOM 65 CA SER A 7 6.830 -12.756 17.305 1.00 0.00 C ATOM 66 C SER A 7 5.777 -13.392 16.403 1.00 0.00 C ATOM 67 O SER A 7 5.105 -14.347 16.795 1.00 0.00 O ATOM 68 CB SER A 7 8.142 -13.531 17.185 1.00 0.00 C ATOM 69 OG SER A 7 8.645 -13.403 15.863 1.00 0.00 O ATOM 0 H SER A 7 6.451 -13.648 19.166 1.00 0.00 H new ATOM 0 HA SER A 7 6.988 -11.725 16.989 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.870 -13.150 17.901 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.980 -14.582 17.424 1.00 0.00 H new ATOM 0 HG SER A 7 9.487 -13.898 15.784 1.00 0.00 H new ATOM 75 N GLU A 8 5.639 -12.859 15.194 1.00 0.00 N ATOM 76 CA GLU A 8 4.664 -13.383 14.245 1.00 0.00 C ATOM 77 C GLU A 8 5.199 -13.289 12.819 1.00 0.00 C ATOM 78 O GLU A 8 6.102 -12.501 12.536 1.00 0.00 O ATOM 79 CB GLU A 8 3.355 -12.599 14.353 1.00 0.00 C ATOM 80 CG GLU A 8 3.590 -11.149 13.926 1.00 0.00 C ATOM 81 CD GLU A 8 2.354 -10.310 14.229 1.00 0.00 C ATOM 82 OE1 GLU A 8 1.361 -10.882 14.647 1.00 0.00 O ATOM 83 OE2 GLU A 8 2.418 -9.106 14.037 1.00 0.00 O ATOM 0 H GLU A 8 6.186 -12.070 14.850 1.00 0.00 H new ATOM 0 HA GLU A 8 4.480 -14.431 14.484 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.592 -13.056 13.722 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.983 -12.632 15.377 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.454 -10.742 14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.816 -11.107 12.861 1.00 0.00 H new ATOM 90 N ASN A 9 4.637 -14.096 11.926 1.00 0.00 N ATOM 91 CA ASN A 9 5.065 -14.095 10.532 1.00 0.00 C ATOM 92 C ASN A 9 4.447 -12.918 9.783 1.00 0.00 C ATOM 93 O ASN A 9 3.571 -12.229 10.304 1.00 0.00 O ATOM 94 CB ASN A 9 4.652 -15.404 9.858 1.00 0.00 C ATOM 95 CG ASN A 9 3.137 -15.455 9.698 1.00 0.00 C ATOM 96 OD1 ASN A 9 2.422 -14.653 10.299 1.00 0.00 O ATOM 97 ND2 ASN A 9 2.601 -16.353 8.918 1.00 0.00 N ATOM 0 H ASN A 9 3.889 -14.755 12.140 1.00 0.00 H new ATOM 0 HA ASN A 9 6.150 -13.999 10.505 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.132 -15.487 8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.991 -16.252 10.453 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.588 -16.391 8.805 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.195 -17.017 8.421 1.00 0.00 H new ATOM 104 N SER A 10 4.910 -12.695 8.557 1.00 0.00 N ATOM 105 CA SER A 10 4.396 -11.599 7.745 1.00 0.00 C ATOM 106 C SER A 10 4.436 -11.963 6.265 1.00 0.00 C ATOM 107 O SER A 10 5.149 -12.881 5.860 1.00 0.00 O ATOM 108 CB SER A 10 5.227 -10.337 7.984 1.00 0.00 C ATOM 109 OG SER A 10 6.525 -10.519 7.436 1.00 0.00 O ATOM 0 H SER A 10 5.635 -13.254 8.107 1.00 0.00 H new ATOM 0 HA SER A 10 3.362 -11.413 8.034 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.743 -9.476 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.296 -10.130 9.052 1.00 0.00 H new ATOM 0 HG SER A 10 7.060 -9.711 7.586 1.00 0.00 H new ATOM 115 N SER A 11 3.667 -11.235 5.461 1.00 0.00 N ATOM 116 CA SER A 11 3.623 -11.490 4.025 1.00 0.00 C ATOM 117 C SER A 11 3.300 -10.208 3.264 1.00 0.00 C ATOM 118 O SER A 11 2.981 -9.182 3.865 1.00 0.00 O ATOM 119 CB SER A 11 2.565 -12.550 3.715 1.00 0.00 C ATOM 120 OG SER A 11 2.818 -13.103 2.431 1.00 0.00 O ATOM 0 H SER A 11 3.070 -10.470 5.776 1.00 0.00 H new ATOM 0 HA SER A 11 4.602 -11.851 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.586 -13.334 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.570 -12.106 3.743 1.00 0.00 H new ATOM 0 HG SER A 11 2.143 -13.784 2.229 1.00 0.00 H new ATOM 126 N VAL A 12 3.384 -10.275 1.940 1.00 0.00 N ATOM 127 CA VAL A 12 3.100 -9.111 1.107 1.00 0.00 C ATOM 128 C VAL A 12 2.435 -9.538 -0.197 1.00 0.00 C ATOM 129 O VAL A 12 2.836 -10.524 -0.817 1.00 0.00 O ATOM 130 CB VAL A 12 4.395 -8.359 0.800 1.00 0.00 C ATOM 131 CG1 VAL A 12 4.064 -6.941 0.331 1.00 0.00 C ATOM 132 CG2 VAL A 12 5.256 -8.290 2.064 1.00 0.00 C ATOM 0 H VAL A 12 3.644 -11.115 1.423 1.00 0.00 H new ATOM 0 HA VAL A 12 2.421 -8.454 1.651 1.00 0.00 H new ATOM 0 HB VAL A 12 4.941 -8.882 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.988 -6.405 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.451 -6.989 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.517 -6.417 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.180 -7.754 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.709 -7.767 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.493 -9.300 2.398 1.00 0.00 H new ATOM 142 N THR A 13 1.417 -8.791 -0.610 1.00 0.00 N ATOM 143 CA THR A 13 0.703 -9.103 -1.842 1.00 0.00 C ATOM 144 C THR A 13 0.555 -7.856 -2.709 1.00 0.00 C ATOM 145 O THR A 13 0.119 -6.807 -2.236 1.00 0.00 O ATOM 146 CB THR A 13 -0.682 -9.665 -1.516 1.00 0.00 C ATOM 147 OG1 THR A 13 -0.575 -10.588 -0.442 1.00 0.00 O ATOM 148 CG2 THR A 13 -1.250 -10.374 -2.747 1.00 0.00 C ATOM 0 H THR A 13 1.070 -7.971 -0.113 1.00 0.00 H new ATOM 0 HA THR A 13 1.278 -9.848 -2.392 1.00 0.00 H new ATOM 0 HB THR A 13 -1.348 -8.850 -1.230 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.462 -10.948 -0.230 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.237 -10.774 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.332 -9.664 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.587 -11.190 -3.035 1.00 0.00 H new ATOM 156 N TYR A 14 0.921 -7.980 -3.980 1.00 0.00 N ATOM 157 CA TYR A 14 0.821 -6.859 -4.908 1.00 0.00 C ATOM 158 C TYR A 14 -0.302 -7.096 -5.913 1.00 0.00 C ATOM 159 O TYR A 14 -0.842 -8.198 -6.004 1.00 0.00 O ATOM 160 CB TYR A 14 2.146 -6.677 -5.653 1.00 0.00 C ATOM 161 CG TYR A 14 3.262 -6.484 -4.656 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.253 -5.375 -3.800 1.00 0.00 C ATOM 163 CD2 TYR A 14 4.307 -7.413 -4.586 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.289 -5.196 -2.876 1.00 0.00 C ATOM 165 CE2 TYR A 14 5.342 -7.234 -3.661 1.00 0.00 C ATOM 166 CZ TYR A 14 5.334 -6.126 -2.806 1.00 0.00 C ATOM 167 OH TYR A 14 6.355 -5.949 -1.895 1.00 0.00 O ATOM 0 H TYR A 14 1.287 -8.839 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 14 0.599 -5.957 -4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.348 -7.548 -6.276 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.086 -5.816 -6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.447 -4.658 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.314 -8.268 -5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.283 -4.341 -2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.147 -7.951 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 14 6.998 -6.684 -1.977 1.00 0.00 H new ATOM 177 N VAL A 15 -0.648 -6.056 -6.664 1.00 0.00 N ATOM 178 CA VAL A 15 -1.720 -6.161 -7.647 1.00 0.00 C ATOM 179 C VAL A 15 -1.310 -5.507 -8.961 1.00 0.00 C ATOM 180 O VAL A 15 -1.314 -6.147 -10.013 1.00 0.00 O ATOM 181 CB VAL A 15 -2.986 -5.489 -7.112 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.601 -4.387 -6.124 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.767 -4.877 -8.278 1.00 0.00 C ATOM 0 H VAL A 15 -0.206 -5.138 -6.612 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.918 -7.217 -7.828 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.605 -6.230 -6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.503 -3.908 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.042 -4.821 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.983 -3.645 -6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.670 -4.397 -7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.147 -4.136 -8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.041 -5.661 -8.984 1.00 0.00 H new ATOM 193 N ASN A 16 -0.960 -4.227 -8.895 1.00 0.00 N ATOM 194 CA ASN A 16 -0.576 -3.487 -10.092 1.00 0.00 C ATOM 195 C ASN A 16 0.740 -4.018 -10.654 1.00 0.00 C ATOM 196 O ASN A 16 0.995 -3.926 -11.854 1.00 0.00 O ATOM 197 CB ASN A 16 -0.429 -2.001 -9.762 1.00 0.00 C ATOM 198 CG ASN A 16 -1.775 -1.428 -9.329 1.00 0.00 C ATOM 199 OD1 ASN A 16 -1.858 -0.754 -8.215 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.775 -1.600 -10.024 1.00 0.00 N flip ATOM 0 H ASN A 16 -0.934 -3.683 -8.032 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.356 -3.618 -10.842 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.305 -1.867 -8.968 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.058 -1.461 -10.633 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.707 -2.127 -10.894 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.673 -1.215 -9.730 1.00 0.00 H new ATOM 207 N GLY A 17 1.571 -4.573 -9.777 1.00 0.00 N ATOM 208 CA GLY A 17 2.858 -5.115 -10.198 1.00 0.00 C ATOM 209 C GLY A 17 3.779 -5.324 -9.003 1.00 0.00 C ATOM 210 O GLY A 17 3.480 -4.885 -7.892 1.00 0.00 O ATOM 0 H GLY A 17 1.379 -4.659 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.706 -6.063 -10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.328 -4.436 -10.909 1.00 0.00 H new ATOM 214 N ARG A 18 4.902 -5.997 -9.237 1.00 0.00 N ATOM 215 CA ARG A 18 5.859 -6.262 -8.169 1.00 0.00 C ATOM 216 C ARG A 18 6.872 -5.126 -8.066 1.00 0.00 C ATOM 217 O ARG A 18 7.201 -4.480 -9.061 1.00 0.00 O ATOM 218 CB ARG A 18 6.589 -7.579 -8.438 1.00 0.00 C ATOM 219 CG ARG A 18 5.624 -8.576 -9.080 1.00 0.00 C ATOM 220 CD ARG A 18 4.620 -9.062 -8.033 1.00 0.00 C ATOM 221 NE ARG A 18 5.314 -9.733 -6.941 1.00 0.00 N ATOM 222 CZ ARG A 18 4.705 -10.655 -6.201 1.00 0.00 C ATOM 223 NH1 ARG A 18 3.464 -10.972 -6.449 1.00 0.00 N ATOM 224 NH2 ARG A 18 5.348 -11.241 -5.229 1.00 0.00 N ATOM 0 H ARG A 18 5.170 -6.366 -10.149 1.00 0.00 H new ATOM 0 HA ARG A 18 5.316 -6.335 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.441 -7.407 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.982 -7.986 -7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.099 -8.106 -9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.177 -9.422 -9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.050 -8.217 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.906 -9.745 -8.493 1.00 0.00 H new ATOM 0 HE ARG A 18 6.284 -9.491 -6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.963 -10.513 -7.209 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.995 -11.679 -5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.318 -10.992 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.881 -11.948 -4.662 1.00 0.00 H new ATOM 238 N PRO A 19 7.364 -4.876 -6.883 1.00 0.00 N ATOM 239 CA PRO A 19 8.376 -3.809 -6.638 1.00 0.00 C ATOM 240 C PRO A 19 9.757 -4.193 -7.164 1.00 0.00 C ATOM 241 O PRO A 19 10.214 -5.319 -6.972 1.00 0.00 O ATOM 242 CB PRO A 19 8.389 -3.670 -5.116 1.00 0.00 C ATOM 243 CG PRO A 19 7.950 -4.997 -4.590 1.00 0.00 C ATOM 244 CD PRO A 19 6.996 -5.598 -5.627 1.00 0.00 C ATOM 0 HA PRO A 19 8.128 -2.881 -7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.385 -3.414 -4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.717 -2.876 -4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.807 -5.651 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.451 -4.884 -3.627 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.134 -6.675 -5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.953 -5.434 -5.358 1.00 0.00 H new ATOM 252 N THR A 20 10.415 -3.246 -7.827 1.00 0.00 N ATOM 253 CA THR A 20 11.742 -3.495 -8.377 1.00 0.00 C ATOM 254 C THR A 20 12.750 -3.730 -7.255 1.00 0.00 C ATOM 255 O THR A 20 13.705 -4.489 -7.415 1.00 0.00 O ATOM 256 CB THR A 20 12.188 -2.300 -9.224 1.00 0.00 C ATOM 257 OG1 THR A 20 11.194 -2.016 -10.198 1.00 0.00 O ATOM 258 CG2 THR A 20 13.509 -2.631 -9.919 1.00 0.00 C ATOM 0 H THR A 20 10.054 -2.307 -7.995 1.00 0.00 H new ATOM 0 HA THR A 20 11.696 -4.387 -9.002 1.00 0.00 H new ATOM 0 HB THR A 20 12.327 -1.430 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.477 -1.250 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.826 -1.780 -10.522 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.270 -2.848 -9.169 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.374 -3.501 -10.562 1.00 0.00 H new ATOM 266 N PHE A 21 12.528 -3.074 -6.120 1.00 0.00 N ATOM 267 CA PHE A 21 13.426 -3.214 -4.980 1.00 0.00 C ATOM 268 C PHE A 21 12.774 -4.057 -3.887 1.00 0.00 C ATOM 269 O PHE A 21 11.585 -3.909 -3.603 1.00 0.00 O ATOM 270 CB PHE A 21 13.778 -1.834 -4.421 1.00 0.00 C ATOM 271 CG PHE A 21 14.822 -1.978 -3.341 1.00 0.00 C ATOM 272 CD1 PHE A 21 16.177 -2.063 -3.684 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.435 -2.025 -1.997 1.00 0.00 C ATOM 274 CE1 PHE A 21 17.146 -2.196 -2.680 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.403 -2.157 -0.994 1.00 0.00 C ATOM 276 CZ PHE A 21 16.758 -2.243 -1.336 1.00 0.00 C ATOM 0 H PHE A 21 11.740 -2.445 -5.966 1.00 0.00 H new ATOM 0 HA PHE A 21 14.335 -3.713 -5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.151 -1.192 -5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.886 -1.355 -4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.475 -2.026 -4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.390 -1.959 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.191 -2.262 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.105 -2.192 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.504 -2.346 -0.562 1.00 0.00 H new ATOM 286 N VAL A 22 13.559 -4.940 -3.279 1.00 0.00 N ATOM 287 CA VAL A 22 13.046 -5.802 -2.220 1.00 0.00 C ATOM 288 C VAL A 22 14.022 -5.849 -1.048 1.00 0.00 C ATOM 289 O VAL A 22 15.227 -6.013 -1.238 1.00 0.00 O ATOM 290 CB VAL A 22 12.825 -7.216 -2.759 1.00 0.00 C ATOM 291 CG1 VAL A 22 11.594 -7.831 -2.090 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.604 -7.156 -4.272 1.00 0.00 C ATOM 0 H VAL A 22 14.545 -5.077 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 22 12.097 -5.394 -1.872 1.00 0.00 H new ATOM 0 HB VAL A 22 13.701 -7.828 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.436 -8.839 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.749 -7.874 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.718 -7.219 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.446 -8.164 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.728 -6.544 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.480 -6.718 -4.751 1.00 0.00 H new ATOM 302 N GLY A 23 13.492 -5.704 0.162 1.00 0.00 N ATOM 303 CA GLY A 23 14.327 -5.729 1.357 1.00 0.00 C ATOM 304 C GLY A 23 13.985 -6.926 2.237 1.00 0.00 C ATOM 305 O GLY A 23 14.149 -8.075 1.829 1.00 0.00 O ATOM 0 H GLY A 23 12.497 -5.569 0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.378 -5.772 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.188 -4.807 1.921 1.00 0.00 H new ATOM 309 N GLU A 24 13.509 -6.649 3.446 1.00 0.00 N ATOM 310 CA GLU A 24 13.148 -7.714 4.376 1.00 0.00 C ATOM 311 C GLU A 24 11.826 -7.396 5.069 1.00 0.00 C ATOM 312 O GLU A 24 10.852 -8.135 4.936 1.00 0.00 O ATOM 313 CB GLU A 24 14.248 -7.886 5.425 1.00 0.00 C ATOM 314 CG GLU A 24 13.994 -9.165 6.225 1.00 0.00 C ATOM 315 CD GLU A 24 14.232 -10.387 5.345 1.00 0.00 C ATOM 316 OE1 GLU A 24 14.995 -10.272 4.399 1.00 0.00 O ATOM 317 OE2 GLU A 24 13.649 -11.420 5.629 1.00 0.00 O ATOM 0 H GLU A 24 13.365 -5.705 3.803 1.00 0.00 H new ATOM 0 HA GLU A 24 13.036 -8.640 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.223 -7.935 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.267 -7.024 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.653 -9.198 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.971 -9.171 6.601 1.00 0.00 H new ATOM 324 N GLU A 25 11.803 -6.292 5.809 1.00 0.00 N ATOM 325 CA GLU A 25 10.592 -5.881 6.510 1.00 0.00 C ATOM 326 C GLU A 25 9.703 -5.042 5.599 1.00 0.00 C ATOM 327 O GLU A 25 10.155 -4.065 5.002 1.00 0.00 O ATOM 328 CB GLU A 25 10.959 -5.070 7.755 1.00 0.00 C ATOM 329 CG GLU A 25 9.707 -4.843 8.603 1.00 0.00 C ATOM 330 CD GLU A 25 9.241 -6.163 9.209 1.00 0.00 C ATOM 331 OE1 GLU A 25 10.067 -7.048 9.359 1.00 0.00 O ATOM 332 OE2 GLU A 25 8.064 -6.269 9.513 1.00 0.00 O ATOM 0 H GLU A 25 12.602 -5.671 5.938 1.00 0.00 H new ATOM 0 HA GLU A 25 10.046 -6.776 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.714 -5.598 8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.393 -4.113 7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.919 -4.125 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.914 -4.415 7.989 1.00 0.00 H new ATOM 339 N VAL A 26 8.435 -5.430 5.497 1.00 0.00 N ATOM 340 CA VAL A 26 7.493 -4.710 4.647 1.00 0.00 C ATOM 341 C VAL A 26 6.230 -4.357 5.425 1.00 0.00 C ATOM 342 O VAL A 26 5.711 -5.171 6.188 1.00 0.00 O ATOM 343 CB VAL A 26 7.126 -5.567 3.434 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.450 -4.691 2.377 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.395 -6.187 2.846 1.00 0.00 C ATOM 0 H VAL A 26 8.039 -6.232 5.988 1.00 0.00 H new ATOM 0 HA VAL A 26 7.967 -3.788 4.311 1.00 0.00 H new ATOM 0 HB VAL A 26 6.443 -6.359 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.188 -5.301 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.546 -4.248 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.133 -3.899 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.135 -6.798 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.078 -5.395 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.878 -6.810 3.599 1.00 0.00 H new ATOM 355 N THR A 27 5.741 -3.137 5.226 1.00 0.00 N ATOM 356 CA THR A 27 4.535 -2.688 5.912 1.00 0.00 C ATOM 357 C THR A 27 3.584 -2.013 4.929 1.00 0.00 C ATOM 358 O THR A 27 3.939 -1.767 3.776 1.00 0.00 O ATOM 359 CB THR A 27 4.903 -1.705 7.026 1.00 0.00 C ATOM 360 OG1 THR A 27 5.106 -0.415 6.469 1.00 0.00 O ATOM 361 CG2 THR A 27 6.183 -2.173 7.719 1.00 0.00 C ATOM 0 H THR A 27 6.157 -2.447 4.601 1.00 0.00 H new ATOM 0 HA THR A 27 4.039 -3.557 6.345 1.00 0.00 H new ATOM 0 HB THR A 27 4.094 -1.662 7.755 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.340 0.216 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.444 -1.472 8.512 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.024 -3.163 8.147 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.994 -2.218 6.993 1.00 0.00 H new ATOM 369 N LYS A 28 2.373 -1.717 5.391 1.00 0.00 N ATOM 370 CA LYS A 28 1.382 -1.064 4.544 1.00 0.00 C ATOM 371 C LYS A 28 1.017 0.307 5.104 1.00 0.00 C ATOM 372 O LYS A 28 0.157 0.422 5.977 1.00 0.00 O ATOM 373 CB LYS A 28 0.125 -1.931 4.448 1.00 0.00 C ATOM 374 CG LYS A 28 -0.172 -2.552 5.814 1.00 0.00 C ATOM 375 CD LYS A 28 -1.443 -3.398 5.726 1.00 0.00 C ATOM 376 CE LYS A 28 -1.793 -3.942 7.112 1.00 0.00 C ATOM 377 NZ LYS A 28 -0.675 -4.793 7.608 1.00 0.00 N ATOM 0 H LYS A 28 2.056 -1.917 6.340 1.00 0.00 H new ATOM 0 HA LYS A 28 1.810 -0.934 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.721 -1.328 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.267 -2.714 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.667 -3.170 6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.295 -1.769 6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.267 -2.796 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.296 -4.222 5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.972 -3.118 7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.714 -4.524 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.020 -5.410 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.311 -5.377 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.088 -4.187 7.972 1.00 0.00 H new ATOM 391 N GLY A 29 1.675 1.343 4.595 1.00 0.00 N ATOM 392 CA GLY A 29 1.407 2.703 5.046 1.00 0.00 C ATOM 393 C GLY A 29 -0.089 2.931 5.226 1.00 0.00 C ATOM 394 O GLY A 29 -0.566 3.128 6.344 1.00 0.00 O ATOM 0 H GLY A 29 2.393 1.268 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.923 2.886 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.803 3.415 4.322 1.00 0.00 H new ATOM 398 N PHE A 30 -0.824 2.905 4.120 1.00 0.00 N ATOM 399 CA PHE A 30 -2.268 3.103 4.169 1.00 0.00 C ATOM 400 C PHE A 30 -2.974 1.812 4.572 1.00 0.00 C ATOM 401 O PHE A 30 -2.756 0.760 3.971 1.00 0.00 O ATOM 402 CB PHE A 30 -2.779 3.561 2.801 1.00 0.00 C ATOM 403 CG PHE A 30 -2.095 4.850 2.415 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.658 6.079 2.783 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.898 4.818 1.690 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.024 7.274 2.424 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.265 6.014 1.332 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.827 7.242 1.699 1.00 0.00 C ATOM 0 H PHE A 30 -0.447 2.750 3.185 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.485 3.869 4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.583 2.794 2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.859 3.705 2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.581 6.104 3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.463 3.871 1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.459 8.221 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.658 5.989 0.772 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.338 8.164 1.423 1.00 0.00 H new ATOM 418 N GLU A 31 -3.820 1.901 5.592 1.00 0.00 N ATOM 419 CA GLU A 31 -4.551 0.733 6.070 1.00 0.00 C ATOM 420 C GLU A 31 -5.676 0.373 5.104 1.00 0.00 C ATOM 421 O GLU A 31 -6.192 -0.745 5.126 1.00 0.00 O ATOM 422 CB GLU A 31 -5.136 1.015 7.455 1.00 0.00 C ATOM 423 CG GLU A 31 -6.208 2.102 7.346 1.00 0.00 C ATOM 424 CD GLU A 31 -6.636 2.553 8.737 1.00 0.00 C ATOM 425 OE1 GLU A 31 -6.131 2.000 9.700 1.00 0.00 O ATOM 426 OE2 GLU A 31 -7.464 3.446 8.821 1.00 0.00 O ATOM 0 H GLU A 31 -4.016 2.763 6.101 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.858 -0.106 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.567 0.105 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.347 1.334 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.821 2.951 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.069 1.721 6.797 1.00 0.00 H new ATOM 433 N LYS A 32 -6.050 1.325 4.257 1.00 0.00 N ATOM 434 CA LYS A 32 -7.119 1.098 3.290 1.00 0.00 C ATOM 435 C LYS A 32 -6.615 0.253 2.125 1.00 0.00 C ATOM 436 O LYS A 32 -5.416 0.212 1.848 1.00 0.00 O ATOM 437 CB LYS A 32 -7.641 2.436 2.764 1.00 0.00 C ATOM 438 CG LYS A 32 -9.011 2.231 2.115 1.00 0.00 C ATOM 439 CD LYS A 32 -9.472 3.537 1.468 1.00 0.00 C ATOM 440 CE LYS A 32 -10.939 3.414 1.056 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.797 3.383 2.274 1.00 0.00 N ATOM 0 H LYS A 32 -5.633 2.255 4.219 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.928 0.564 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.717 3.155 3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.942 2.851 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.955 1.442 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.735 1.909 2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.348 4.365 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.856 3.760 0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.221 4.254 0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.088 2.507 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.761 3.687 2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.826 2.415 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.404 4.025 2.992 1.00 0.00 H new ATOM 455 N ASP A 33 -7.538 -0.420 1.446 1.00 0.00 N ATOM 456 CA ASP A 33 -7.175 -1.260 0.311 1.00 0.00 C ATOM 457 C ASP A 33 -6.094 -2.261 0.710 1.00 0.00 C ATOM 458 O ASP A 33 -5.758 -2.389 1.887 1.00 0.00 O ATOM 459 CB ASP A 33 -6.670 -0.391 -0.841 1.00 0.00 C ATOM 460 CG ASP A 33 -7.814 0.441 -1.408 1.00 0.00 C ATOM 461 OD1 ASP A 33 -8.936 0.248 -0.967 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.554 1.259 -2.275 1.00 0.00 O ATOM 0 H ASP A 33 -8.535 -0.401 1.660 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.061 -1.808 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.872 0.264 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.245 -1.021 -1.623 1.00 0.00 H new ATOM 467 N ASN A 34 -5.554 -2.966 -0.279 1.00 0.00 N ATOM 468 CA ASN A 34 -4.517 -3.957 -0.017 1.00 0.00 C ATOM 469 C ASN A 34 -3.364 -3.333 0.762 1.00 0.00 C ATOM 470 O ASN A 34 -2.753 -3.980 1.613 1.00 0.00 O ATOM 471 CB ASN A 34 -3.993 -4.526 -1.338 1.00 0.00 C ATOM 472 CG ASN A 34 -3.086 -5.722 -1.067 1.00 0.00 C ATOM 473 OD1 ASN A 34 -2.734 -5.987 0.082 1.00 0.00 O ATOM 474 ND2 ASN A 34 -2.684 -6.463 -2.063 1.00 0.00 N ATOM 0 H ASN A 34 -5.814 -2.871 -1.261 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.951 -4.760 0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.828 -4.828 -1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.443 -3.758 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.077 -7.264 -1.890 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.977 -6.241 -3.014 1.00 0.00 H new ATOM 481 N GLY A 35 -3.070 -2.070 0.466 1.00 0.00 N ATOM 482 CA GLY A 35 -1.986 -1.370 1.143 1.00 0.00 C ATOM 483 C GLY A 35 -1.498 -0.188 0.311 1.00 0.00 C ATOM 484 O GLY A 35 -0.859 0.727 0.829 1.00 0.00 O ATOM 0 H GLY A 35 -3.564 -1.515 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.327 -1.018 2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.160 -2.058 1.324 1.00 0.00 H new ATOM 488 N LEU A 36 -1.804 -0.216 -0.982 1.00 0.00 N ATOM 489 CA LEU A 36 -1.392 0.859 -1.877 1.00 0.00 C ATOM 490 C LEU A 36 0.128 0.970 -1.920 1.00 0.00 C ATOM 491 O LEU A 36 0.767 0.504 -2.864 1.00 0.00 O ATOM 492 CB LEU A 36 -1.990 2.187 -1.408 1.00 0.00 C ATOM 493 CG LEU A 36 -3.478 1.999 -1.106 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.100 3.349 -0.741 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.180 1.434 -2.344 1.00 0.00 C ATOM 0 H LEU A 36 -2.332 -0.965 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.755 0.630 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.469 2.538 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.857 2.949 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.595 1.308 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.160 3.215 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.600 3.754 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.984 4.041 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.240 1.299 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.062 2.127 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.738 0.473 -2.606 1.00 0.00 H new ATOM 507 N LEU A 37 0.701 1.590 -0.894 1.00 0.00 N ATOM 508 CA LEU A 37 2.148 1.760 -0.828 1.00 0.00 C ATOM 509 C LEU A 37 2.751 0.830 0.219 1.00 0.00 C ATOM 510 O LEU A 37 2.270 0.758 1.350 1.00 0.00 O ATOM 511 CB LEU A 37 2.490 3.210 -0.480 1.00 0.00 C ATOM 512 CG LEU A 37 4.007 3.403 -0.529 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.449 3.616 -1.978 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.392 4.626 0.305 1.00 0.00 C ATOM 0 H LEU A 37 0.190 1.981 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 37 2.567 1.512 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.004 3.888 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.114 3.455 0.513 1.00 0.00 H new ATOM 0 HG LEU A 37 4.498 2.517 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.530 3.753 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.175 2.745 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.958 4.501 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.473 4.764 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.900 5.511 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.078 4.475 1.338 1.00 0.00 H new ATOM 526 N PHE A 38 3.806 0.119 -0.166 1.00 0.00 N ATOM 527 CA PHE A 38 4.474 -0.798 0.750 1.00 0.00 C ATOM 528 C PHE A 38 5.840 -0.252 1.153 1.00 0.00 C ATOM 529 O PHE A 38 6.671 0.059 0.300 1.00 0.00 O ATOM 530 CB PHE A 38 4.644 -2.167 0.088 1.00 0.00 C ATOM 531 CG PHE A 38 3.285 -2.748 -0.220 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.659 -2.457 -1.438 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.652 -3.579 0.711 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.400 -2.997 -1.725 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.392 -4.119 0.425 1.00 0.00 C ATOM 536 CZ PHE A 38 0.767 -3.828 -0.792 1.00 0.00 C ATOM 0 H PHE A 38 4.214 0.160 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 38 3.859 -0.901 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.226 -2.070 -0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.197 -2.836 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.148 -1.816 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.135 -3.804 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.917 -2.773 -2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.903 -4.760 1.144 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.205 -4.245 -1.013 1.00 0.00 H new ATOM 546 N ARG A 39 6.064 -0.136 2.458 1.00 0.00 N ATOM 547 CA ARG A 39 7.335 0.371 2.962 1.00 0.00 C ATOM 548 C ARG A 39 8.388 -0.732 2.967 1.00 0.00 C ATOM 549 O ARG A 39 8.403 -1.586 3.854 1.00 0.00 O ATOM 550 CB ARG A 39 7.156 0.915 4.381 1.00 0.00 C ATOM 551 CG ARG A 39 8.442 1.614 4.824 1.00 0.00 C ATOM 552 CD ARG A 39 8.245 2.206 6.221 1.00 0.00 C ATOM 553 NE ARG A 39 8.145 1.141 7.212 1.00 0.00 N ATOM 554 CZ ARG A 39 8.355 1.381 8.501 1.00 0.00 C ATOM 555 NH1 ARG A 39 8.657 2.586 8.901 1.00 0.00 N ATOM 556 NH2 ARG A 39 8.259 0.411 9.369 1.00 0.00 N ATOM 0 H ARG A 39 5.388 -0.384 3.180 1.00 0.00 H new ATOM 0 HA ARG A 39 7.670 1.174 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.320 1.614 4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.917 0.102 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.270 0.905 4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.703 2.402 4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.080 2.863 6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.342 2.817 6.241 1.00 0.00 H new ATOM 0 HE ARG A 39 7.910 0.196 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.732 3.345 8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.818 2.769 9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.023 -0.531 9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.420 0.595 10.359 1.00 0.00 H new ATOM 570 N ILE A 40 9.269 -0.707 1.973 1.00 0.00 N ATOM 571 CA ILE A 40 10.316 -1.716 1.866 1.00 0.00 C ATOM 572 C ILE A 40 11.564 -1.271 2.622 1.00 0.00 C ATOM 573 O ILE A 40 12.039 -0.149 2.450 1.00 0.00 O ATOM 574 CB ILE A 40 10.666 -1.953 0.396 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.377 -2.086 -0.419 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.484 -3.239 0.266 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.724 -2.343 -1.885 1.00 0.00 C ATOM 0 H ILE A 40 9.279 -0.004 1.234 1.00 0.00 H new ATOM 0 HA ILE A 40 9.948 -2.643 2.305 1.00 0.00 H new ATOM 0 HB ILE A 40 11.250 -1.112 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.771 -2.904 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.782 -1.177 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.733 -3.407 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.402 -3.147 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.901 -4.081 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.806 -2.438 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.313 -1.511 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.301 -3.264 -1.966 1.00 0.00 H new ATOM 589 N VAL A 41 12.091 -2.159 3.460 1.00 0.00 N ATOM 590 CA VAL A 41 13.279 -1.842 4.244 1.00 0.00 C ATOM 591 C VAL A 41 14.261 -3.010 4.227 1.00 0.00 C ATOM 592 O VAL A 41 13.891 -4.148 4.515 1.00 0.00 O ATOM 593 CB VAL A 41 12.884 -1.526 5.688 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.130 -1.150 6.489 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.898 -0.356 5.701 1.00 0.00 C ATOM 0 H VAL A 41 11.718 -3.096 3.613 1.00 0.00 H new ATOM 0 HA VAL A 41 13.761 -0.971 3.801 1.00 0.00 H new ATOM 0 HB VAL A 41 12.416 -2.403 6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.847 -0.925 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.833 -1.983 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.599 -0.274 6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.616 -0.130 6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.367 0.520 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.008 -0.624 5.131 1.00 0.00 H new ATOM 605 N ASN A 42 15.512 -2.719 3.886 1.00 0.00 N ATOM 606 CA ASN A 42 16.543 -3.750 3.848 1.00 0.00 C ATOM 607 C ASN A 42 17.474 -3.620 5.049 1.00 0.00 C ATOM 608 O ASN A 42 18.353 -2.758 5.074 1.00 0.00 O ATOM 609 CB ASN A 42 17.353 -3.632 2.555 1.00 0.00 C ATOM 610 CG ASN A 42 18.013 -4.967 2.230 1.00 0.00 C ATOM 611 OD1 ASN A 42 19.163 -5.002 1.793 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.351 -6.077 2.419 1.00 0.00 N ATOM 0 H ASN A 42 15.835 -1.785 3.634 1.00 0.00 H new ATOM 0 HA ASN A 42 16.057 -4.725 3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.702 -3.329 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.113 -2.858 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.787 -6.974 2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.398 -6.047 2.781 1.00 0.00 H new ATOM 619 N LYS A 43 17.275 -4.479 6.043 1.00 0.00 N ATOM 620 CA LYS A 43 18.084 -4.434 7.255 1.00 0.00 C ATOM 621 C LYS A 43 19.569 -4.478 6.913 1.00 0.00 C ATOM 622 O LYS A 43 20.395 -3.897 7.616 1.00 0.00 O ATOM 623 CB LYS A 43 17.732 -5.614 8.163 1.00 0.00 C ATOM 624 CG LYS A 43 16.281 -5.483 8.631 1.00 0.00 C ATOM 625 CD LYS A 43 15.965 -6.599 9.628 1.00 0.00 C ATOM 626 CE LYS A 43 14.494 -6.514 10.039 1.00 0.00 C ATOM 627 NZ LYS A 43 14.256 -5.239 10.773 1.00 0.00 N ATOM 0 H LYS A 43 16.565 -5.211 6.034 1.00 0.00 H new ATOM 0 HA LYS A 43 17.871 -3.500 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.869 -6.553 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.402 -5.638 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.124 -4.510 9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.606 -5.541 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.173 -7.571 9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.605 -6.509 10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.856 -6.563 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.232 -7.363 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.367 -5.308 11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.043 -5.064 11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.191 -4.454 10.094 1.00 0.00 H new ATOM 641 N LYS A 44 19.902 -5.175 5.831 1.00 0.00 N ATOM 642 CA LYS A 44 21.294 -5.298 5.413 1.00 0.00 C ATOM 643 C LYS A 44 21.946 -3.923 5.301 1.00 0.00 C ATOM 644 O LYS A 44 22.825 -3.577 6.088 1.00 0.00 O ATOM 645 CB LYS A 44 21.372 -6.014 4.064 1.00 0.00 C ATOM 646 CG LYS A 44 20.777 -7.418 4.195 1.00 0.00 C ATOM 647 CD LYS A 44 21.154 -8.251 2.969 1.00 0.00 C ATOM 648 CE LYS A 44 20.538 -7.624 1.716 1.00 0.00 C ATOM 649 NZ LYS A 44 20.541 -8.622 0.608 1.00 0.00 N ATOM 0 H LYS A 44 19.233 -5.659 5.232 1.00 0.00 H new ATOM 0 HA LYS A 44 21.829 -5.879 6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.829 -5.447 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 44 22.409 -6.076 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.147 -7.898 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.693 -7.357 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 44 22.238 -8.300 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 44 20.799 -9.275 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.519 -7.298 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.103 -6.739 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.123 -8.196 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 21.519 -8.913 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.984 -9.454 0.889 1.00 0.00 H new ATOM 663 N LYS A 45 21.509 -3.146 4.316 1.00 0.00 N ATOM 664 CA LYS A 45 22.060 -1.811 4.107 1.00 0.00 C ATOM 665 C LYS A 45 21.214 -0.764 4.825 1.00 0.00 C ATOM 666 O LYS A 45 21.577 0.412 4.876 1.00 0.00 O ATOM 667 CB LYS A 45 22.107 -1.495 2.611 1.00 0.00 C ATOM 668 CG LYS A 45 22.794 -2.644 1.870 1.00 0.00 C ATOM 669 CD LYS A 45 24.246 -2.761 2.339 1.00 0.00 C ATOM 670 CE LYS A 45 25.051 -3.558 1.311 1.00 0.00 C ATOM 671 NZ LYS A 45 26.464 -3.677 1.771 1.00 0.00 N ATOM 0 H LYS A 45 20.781 -3.414 3.654 1.00 0.00 H new ATOM 0 HA LYS A 45 23.070 -1.786 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.097 -1.352 2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.647 -0.564 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.265 -3.578 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.761 -2.468 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.679 -1.769 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.287 -3.254 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 45 24.615 -4.548 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 45 25.014 -3.063 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 27.012 -4.219 1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 26.877 -2.728 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 26.491 -4.167 2.688 1.00 0.00 H new ATOM 685 N LYS A 46 20.088 -1.199 5.382 1.00 0.00 N ATOM 686 CA LYS A 46 19.196 -0.290 6.092 1.00 0.00 C ATOM 687 C LYS A 46 18.727 0.833 5.172 1.00 0.00 C ATOM 688 O LYS A 46 18.503 1.959 5.616 1.00 0.00 O ATOM 689 CB LYS A 46 19.917 0.308 7.302 1.00 0.00 C ATOM 690 CG LYS A 46 19.349 -0.299 8.586 1.00 0.00 C ATOM 691 CD LYS A 46 18.001 0.349 8.906 1.00 0.00 C ATOM 692 CE LYS A 46 17.468 -0.207 10.228 1.00 0.00 C ATOM 693 NZ LYS A 46 17.783 -1.661 10.319 1.00 0.00 N ATOM 0 H LYS A 46 19.773 -2.169 5.356 1.00 0.00 H new ATOM 0 HA LYS A 46 18.326 -0.855 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.987 0.110 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.794 1.391 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.228 -1.376 8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.044 -0.145 9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.113 1.431 8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.291 0.151 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.917 0.326 11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.391 -0.053 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.202 -2.096 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.577 -2.119 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.790 -1.784 10.548 1.00 0.00 H new ATOM 707 N GLN A 47 18.577 0.519 3.889 1.00 0.00 N ATOM 708 CA GLN A 47 18.121 1.511 2.921 1.00 0.00 C ATOM 709 C GLN A 47 16.618 1.385 2.696 1.00 0.00 C ATOM 710 O GLN A 47 16.127 0.330 2.294 1.00 0.00 O ATOM 711 CB GLN A 47 18.856 1.323 1.592 1.00 0.00 C ATOM 712 CG GLN A 47 18.584 -0.083 1.050 1.00 0.00 C ATOM 713 CD GLN A 47 19.642 -0.456 0.019 1.00 0.00 C ATOM 714 OE1 GLN A 47 19.733 -1.615 -0.387 1.00 0.00 O ATOM 715 NE2 GLN A 47 20.453 0.462 -0.433 1.00 0.00 N ATOM 0 H GLN A 47 18.762 -0.405 3.498 1.00 0.00 H new ATOM 0 HA GLN A 47 18.337 2.504 3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.525 2.072 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.927 1.469 1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.590 -0.804 1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.593 -0.122 0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.376 1.421 -0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.163 0.220 -1.124 1.00 0.00 H new ATOM 724 N TRP A 48 15.893 2.467 2.960 1.00 0.00 N ATOM 725 CA TRP A 48 14.444 2.461 2.798 1.00 0.00 C ATOM 726 C TRP A 48 14.066 2.698 1.339 1.00 0.00 C ATOM 727 O TRP A 48 14.740 3.439 0.625 1.00 0.00 O ATOM 728 CB TRP A 48 13.816 3.548 3.672 1.00 0.00 C ATOM 729 CG TRP A 48 13.915 3.153 5.110 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.729 2.189 5.599 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.192 3.695 6.254 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.551 2.104 6.968 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.613 3.011 7.419 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.220 4.702 6.392 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.090 3.317 8.676 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.690 5.012 7.655 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.125 4.321 8.795 1.00 0.00 C ATOM 0 H TRP A 48 16.281 3.353 3.285 1.00 0.00 H new ATOM 0 HA TRP A 48 14.068 1.485 3.105 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.324 4.498 3.509 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.772 3.693 3.395 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.407 1.584 5.015 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.052 1.451 7.571 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.879 5.241 5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.429 2.782 9.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 10.943 5.787 7.749 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.715 4.564 9.764 1.00 0.00 H new ATOM 748 N ALA A 49 12.982 2.063 0.905 1.00 0.00 N ATOM 749 CA ALA A 49 12.515 2.215 -0.469 1.00 0.00 C ATOM 750 C ALA A 49 10.992 2.173 -0.522 1.00 0.00 C ATOM 751 O ALA A 49 10.351 1.534 0.313 1.00 0.00 O ATOM 752 CB ALA A 49 13.090 1.101 -1.344 1.00 0.00 C ATOM 0 H ALA A 49 12.413 1.442 1.480 1.00 0.00 H new ATOM 0 HA ALA A 49 12.855 3.180 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.736 1.223 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.179 1.151 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.766 0.133 -0.961 1.00 0.00 H new ATOM 758 N TYR A 50 10.417 2.858 -1.505 1.00 0.00 N ATOM 759 CA TYR A 50 8.966 2.893 -1.649 1.00 0.00 C ATOM 760 C TYR A 50 8.552 2.472 -3.054 1.00 0.00 C ATOM 761 O TYR A 50 9.173 2.868 -4.040 1.00 0.00 O ATOM 762 CB TYR A 50 8.446 4.302 -1.362 1.00 0.00 C ATOM 763 CG TYR A 50 8.538 4.579 0.119 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.654 3.950 1.004 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.506 5.463 0.608 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.739 4.205 2.378 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.592 5.718 1.981 1.00 0.00 C ATOM 768 CZ TYR A 50 8.708 5.089 2.866 1.00 0.00 C ATOM 769 OH TYR A 50 8.793 5.341 4.221 1.00 0.00 O ATOM 0 H TYR A 50 10.928 3.392 -2.208 1.00 0.00 H new ATOM 0 HA TYR A 50 8.535 2.193 -0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.029 5.037 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.413 4.395 -1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.906 3.268 0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.187 5.949 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.057 3.720 3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.340 6.400 2.358 1.00 0.00 H new ATOM 0 HH TYR A 50 9.520 5.976 4.391 1.00 0.00 H new ATOM 779 N TYR A 51 7.497 1.667 -3.137 1.00 0.00 N ATOM 780 CA TYR A 51 7.001 1.202 -4.427 1.00 0.00 C ATOM 781 C TYR A 51 5.557 1.648 -4.636 1.00 0.00 C ATOM 782 O TYR A 51 4.661 1.252 -3.891 1.00 0.00 O ATOM 783 CB TYR A 51 7.081 -0.325 -4.497 1.00 0.00 C ATOM 784 CG TYR A 51 6.218 -0.824 -5.630 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.645 -0.674 -6.954 1.00 0.00 C ATOM 786 CD2 TYR A 51 4.990 -1.438 -5.355 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.844 -1.138 -8.004 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.189 -1.902 -6.405 1.00 0.00 C ATOM 789 CZ TYR A 51 4.616 -1.752 -7.730 1.00 0.00 C ATOM 790 OH TYR A 51 3.827 -2.209 -8.766 1.00 0.00 O ATOM 0 H TYR A 51 6.972 1.325 -2.332 1.00 0.00 H new ATOM 0 HA TYR A 51 7.621 1.634 -5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.114 -0.639 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.749 -0.761 -3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.592 -0.200 -7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.661 -1.554 -4.333 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.173 -1.022 -9.026 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.242 -2.376 -6.193 1.00 0.00 H new ATOM 0 HH TYR A 51 3.247 -2.929 -8.442 1.00 0.00 H new ATOM 800 N ASN A 52 5.340 2.476 -5.653 1.00 0.00 N ATOM 801 CA ASN A 52 4.001 2.972 -5.948 1.00 0.00 C ATOM 802 C ASN A 52 3.237 1.978 -6.817 1.00 0.00 C ATOM 803 O ASN A 52 3.696 1.601 -7.896 1.00 0.00 O ATOM 804 CB ASN A 52 4.088 4.318 -6.668 1.00 0.00 C ATOM 805 CG ASN A 52 2.686 4.852 -6.947 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.710 4.109 -6.860 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.529 6.105 -7.279 1.00 0.00 N ATOM 0 H ASN A 52 6.068 2.815 -6.282 1.00 0.00 H new ATOM 0 HA ASN A 52 3.468 3.097 -5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.643 5.031 -6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.636 4.205 -7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.595 6.470 -7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.340 6.719 -7.350 1.00 0.00 H new ATOM 814 N ASP A 53 2.069 1.560 -6.342 1.00 0.00 N ATOM 815 CA ASP A 53 1.250 0.606 -7.081 1.00 0.00 C ATOM 816 C ASP A 53 0.078 1.315 -7.750 1.00 0.00 C ATOM 817 O ASP A 53 -0.321 0.964 -8.861 1.00 0.00 O ATOM 818 CB ASP A 53 0.724 -0.475 -6.135 1.00 0.00 C ATOM 819 CG ASP A 53 -0.325 0.118 -5.199 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.224 1.297 -4.899 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.212 -0.616 -4.795 1.00 0.00 O ATOM 0 H ASP A 53 1.670 1.864 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 53 1.868 0.143 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.290 -1.293 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.546 -0.894 -5.555 1.00 0.00 H new ATOM 826 N THR A 54 -0.470 2.315 -7.067 1.00 0.00 N ATOM 827 CA THR A 54 -1.600 3.065 -7.602 1.00 0.00 C ATOM 828 C THR A 54 -1.220 3.744 -8.913 1.00 0.00 C ATOM 829 O THR A 54 -0.357 4.623 -8.941 1.00 0.00 O ATOM 830 CB THR A 54 -2.052 4.122 -6.590 1.00 0.00 C ATOM 831 OG1 THR A 54 -0.913 4.782 -6.057 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.831 3.449 -5.460 1.00 0.00 C ATOM 0 H THR A 54 -0.152 2.623 -6.148 1.00 0.00 H new ATOM 0 HA THR A 54 -2.417 2.369 -7.790 1.00 0.00 H new ATOM 0 HB THR A 54 -2.694 4.850 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.990 5.746 -6.214 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.152 4.202 -4.741 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.705 2.944 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.192 2.720 -4.961 1.00 0.00 H new ATOM 840 N THR A 55 -1.867 3.331 -9.998 1.00 0.00 N ATOM 841 CA THR A 55 -1.585 3.905 -11.309 1.00 0.00 C ATOM 842 C THR A 55 -2.406 5.171 -11.529 1.00 0.00 C ATOM 843 O THR A 55 -2.247 5.857 -12.538 1.00 0.00 O ATOM 844 CB THR A 55 -1.910 2.887 -12.404 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.317 2.694 -12.466 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.224 1.557 -12.088 1.00 0.00 C ATOM 0 H THR A 55 -2.585 2.606 -9.996 1.00 0.00 H new ATOM 0 HA THR A 55 -0.526 4.161 -11.353 1.00 0.00 H new ATOM 0 HB THR A 55 -1.551 3.258 -13.364 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.527 2.043 -13.168 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.457 0.833 -12.869 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.145 1.706 -12.041 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.581 1.183 -11.128 1.00 0.00 H new ATOM 854 N GLN A 56 -3.284 5.475 -10.578 1.00 0.00 N ATOM 855 CA GLN A 56 -4.129 6.659 -10.682 1.00 0.00 C ATOM 856 C GLN A 56 -3.569 7.797 -9.835 1.00 0.00 C ATOM 857 O GLN A 56 -3.519 8.945 -10.275 1.00 0.00 O ATOM 858 CB GLN A 56 -5.549 6.329 -10.219 1.00 0.00 C ATOM 859 CG GLN A 56 -6.429 7.574 -10.345 1.00 0.00 C ATOM 860 CD GLN A 56 -7.873 7.227 -10.001 1.00 0.00 C ATOM 861 OE1 GLN A 56 -8.206 6.056 -9.822 1.00 0.00 O ATOM 862 NE2 GLN A 56 -8.757 8.182 -9.897 1.00 0.00 N ATOM 0 H GLN A 56 -3.428 4.922 -9.733 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.149 6.975 -11.725 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.960 5.518 -10.820 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.535 5.984 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.065 8.356 -9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.373 7.968 -11.360 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.480 9.152 -10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.725 7.958 -9.667 1.00 0.00 H new ATOM 871 N TYR A 57 -3.149 7.470 -8.617 1.00 0.00 N ATOM 872 CA TYR A 57 -2.606 8.477 -7.713 1.00 0.00 C ATOM 873 C TYR A 57 -1.130 8.213 -7.437 1.00 0.00 C ATOM 874 O TYR A 57 -0.692 7.063 -7.392 1.00 0.00 O ATOM 875 CB TYR A 57 -3.383 8.465 -6.394 1.00 0.00 C ATOM 876 CG TYR A 57 -4.819 8.082 -6.658 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.743 9.058 -7.050 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.227 6.750 -6.512 1.00 0.00 C ATOM 879 CE1 TYR A 57 -7.076 8.702 -7.295 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.559 6.395 -6.758 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.483 7.371 -7.149 1.00 0.00 C ATOM 882 OH TYR A 57 -8.796 7.021 -7.391 1.00 0.00 O ATOM 0 H TYR A 57 -3.174 6.524 -8.236 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.705 9.454 -8.187 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.929 7.759 -5.699 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.338 9.448 -5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.429 10.085 -7.164 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.514 5.997 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.789 9.455 -7.597 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.873 5.368 -6.646 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.825 6.294 -8.047 1.00 0.00 H new ATOM 892 N GLU A 58 -0.367 9.285 -7.251 1.00 0.00 N ATOM 893 CA GLU A 58 1.056 9.158 -6.956 1.00 0.00 C ATOM 894 C GLU A 58 1.286 9.116 -5.449 1.00 0.00 C ATOM 895 O GLU A 58 0.559 9.747 -4.682 1.00 0.00 O ATOM 896 CB GLU A 58 1.822 10.336 -7.560 1.00 0.00 C ATOM 897 CG GLU A 58 1.127 11.646 -7.180 1.00 0.00 C ATOM 898 CD GLU A 58 -0.001 11.941 -8.163 1.00 0.00 C ATOM 899 OE1 GLU A 58 -0.461 11.010 -8.805 1.00 0.00 O ATOM 900 OE2 GLU A 58 -0.388 13.093 -8.261 1.00 0.00 O ATOM 0 H GLU A 58 -0.707 10.245 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 58 1.419 8.228 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.850 10.339 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.866 10.237 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.729 11.576 -6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.847 12.464 -7.184 1.00 0.00 H new ATOM 907 N MET A 59 2.300 8.366 -5.031 1.00 0.00 N ATOM 908 CA MET A 59 2.607 8.238 -3.612 1.00 0.00 C ATOM 909 C MET A 59 3.611 9.301 -3.179 1.00 0.00 C ATOM 910 O MET A 59 4.732 9.354 -3.687 1.00 0.00 O ATOM 911 CB MET A 59 3.179 6.848 -3.325 1.00 0.00 C ATOM 912 CG MET A 59 2.033 5.851 -3.143 1.00 0.00 C ATOM 913 SD MET A 59 0.738 6.192 -4.362 1.00 0.00 S ATOM 914 CE MET A 59 -0.641 5.478 -3.434 1.00 0.00 C ATOM 0 H MET A 59 2.919 7.841 -5.649 1.00 0.00 H new ATOM 0 HA MET A 59 1.685 8.377 -3.048 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.823 6.532 -4.146 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.797 6.876 -2.427 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.401 4.832 -3.263 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.627 5.927 -2.134 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.583 5.794 -3.882 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.573 4.390 -3.461 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.599 5.819 -2.400 1.00 0.00 H new ATOM 924 N HIS A 60 3.203 10.144 -2.236 1.00 0.00 N ATOM 925 CA HIS A 60 4.083 11.189 -1.724 1.00 0.00 C ATOM 926 C HIS A 60 4.635 10.796 -0.358 1.00 0.00 C ATOM 927 O HIS A 60 3.877 10.524 0.574 1.00 0.00 O ATOM 928 CB HIS A 60 3.317 12.509 -1.608 1.00 0.00 C ATOM 929 CG HIS A 60 3.165 13.122 -2.974 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.848 14.268 -3.350 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.413 12.759 -4.062 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.496 14.551 -4.618 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.623 13.663 -5.100 1.00 0.00 N ATOM 0 H HIS A 60 2.275 10.125 -1.813 1.00 0.00 H new ATOM 0 HA HIS A 60 4.913 11.314 -2.419 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.337 12.335 -1.164 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.849 13.194 -0.947 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.498 14.800 -2.772 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.757 11.902 -4.107 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.874 15.394 -5.178 1.00 0.00 H new ATOM 942 N VAL A 61 5.959 10.762 -0.245 1.00 0.00 N ATOM 943 CA VAL A 61 6.598 10.375 1.008 1.00 0.00 C ATOM 944 C VAL A 61 7.138 11.600 1.739 1.00 0.00 C ATOM 945 O VAL A 61 7.888 12.395 1.173 1.00 0.00 O ATOM 946 CB VAL A 61 7.741 9.400 0.729 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.582 9.222 1.995 1.00 0.00 C ATOM 948 CG2 VAL A 61 7.164 8.047 0.308 1.00 0.00 C ATOM 0 H VAL A 61 6.606 10.995 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 61 5.852 9.892 1.639 1.00 0.00 H new ATOM 0 HB VAL A 61 8.368 9.795 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.397 8.526 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.993 10.185 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.956 8.827 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.978 7.350 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.538 7.654 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.564 8.172 -0.594 1.00 0.00 H new ATOM 958 N LEU A 62 6.753 11.743 3.004 1.00 0.00 N ATOM 959 CA LEU A 62 7.218 12.861 3.815 1.00 0.00 C ATOM 960 C LEU A 62 7.470 12.408 5.249 1.00 0.00 C ATOM 961 O LEU A 62 6.563 12.425 6.083 1.00 0.00 O ATOM 962 CB LEU A 62 6.178 13.984 3.806 1.00 0.00 C ATOM 963 CG LEU A 62 6.745 15.210 4.524 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.870 15.820 3.686 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.634 16.245 4.715 1.00 0.00 C ATOM 0 H LEU A 62 6.124 11.102 3.487 1.00 0.00 H new ATOM 0 HA LEU A 62 8.152 13.231 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.913 14.240 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.264 13.652 4.298 1.00 0.00 H new ATOM 0 HG LEU A 62 7.138 14.912 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.273 16.693 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.661 15.083 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.478 16.119 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.036 17.120 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.242 16.542 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.832 15.812 5.313 1.00 0.00 H new ATOM 977 N VAL A 63 8.702 11.999 5.529 1.00 0.00 N ATOM 978 CA VAL A 63 9.052 11.519 6.861 1.00 0.00 C ATOM 979 C VAL A 63 10.064 12.448 7.523 1.00 0.00 C ATOM 980 O VAL A 63 11.065 12.828 6.914 1.00 0.00 O ATOM 981 CB VAL A 63 9.638 10.109 6.767 1.00 0.00 C ATOM 982 CG1 VAL A 63 9.948 9.588 8.172 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.626 9.182 6.092 1.00 0.00 C ATOM 0 H VAL A 63 9.470 11.990 4.858 1.00 0.00 H new ATOM 0 HA VAL A 63 8.147 11.500 7.468 1.00 0.00 H new ATOM 0 HB VAL A 63 10.556 10.136 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.365 8.583 8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.669 10.248 8.654 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.031 9.561 8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.042 8.177 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.708 9.156 6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.405 9.552 5.091 1.00 0.00 H new ATOM 993 N THR A 64 9.798 12.808 8.774 1.00 0.00 N ATOM 994 CA THR A 64 10.700 13.680 9.518 1.00 0.00 C ATOM 995 C THR A 64 11.405 12.898 10.622 1.00 0.00 C ATOM 996 O THR A 64 10.779 12.112 11.336 1.00 0.00 O ATOM 997 CB THR A 64 9.916 14.842 10.133 1.00 0.00 C ATOM 998 OG1 THR A 64 9.324 15.612 9.095 1.00 0.00 O ATOM 999 CG2 THR A 64 10.864 15.723 10.949 1.00 0.00 C ATOM 0 H THR A 64 8.971 12.512 9.292 1.00 0.00 H new ATOM 0 HA THR A 64 11.448 14.073 8.829 1.00 0.00 H new ATOM 0 HB THR A 64 9.136 14.451 10.786 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.820 16.356 9.486 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.305 16.550 11.387 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.318 15.131 11.744 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.645 16.117 10.299 1.00 0.00 H new ATOM 1007 N PHE A 65 12.709 13.114 10.756 1.00 0.00 N ATOM 1008 CA PHE A 65 13.486 12.419 11.776 1.00 0.00 C ATOM 1009 C PHE A 65 14.110 13.413 12.750 1.00 0.00 C ATOM 1010 O PHE A 65 14.229 14.600 12.450 1.00 0.00 O ATOM 1011 CB PHE A 65 14.588 11.588 11.114 1.00 0.00 C ATOM 1012 CG PHE A 65 14.087 11.054 9.793 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.100 11.871 8.657 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.609 9.740 9.706 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.635 11.376 7.433 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.145 9.246 8.482 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.158 10.064 7.345 1.00 0.00 C ATOM 0 H PHE A 65 13.247 13.759 10.177 1.00 0.00 H new ATOM 0 HA PHE A 65 12.816 11.761 12.330 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.477 12.200 10.958 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.879 10.764 11.766 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.469 12.884 8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.599 9.109 10.583 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.645 12.007 6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.776 8.233 8.414 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.800 9.682 6.401 1.00 0.00 H new ATOM 1027 N ASN A 66 14.503 12.917 13.919 1.00 0.00 N ATOM 1028 CA ASN A 66 15.125 13.766 14.929 1.00 0.00 C ATOM 1029 C ASN A 66 16.619 13.910 14.662 1.00 0.00 C ATOM 1030 O ASN A 66 17.214 13.102 13.949 1.00 0.00 O ATOM 1031 CB ASN A 66 14.910 13.165 16.319 1.00 0.00 C ATOM 1032 CG ASN A 66 15.282 14.184 17.391 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.650 15.235 17.496 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.276 13.935 18.199 1.00 0.00 N ATOM 0 H ASN A 66 14.403 11.939 14.189 1.00 0.00 H new ATOM 0 HA ASN A 66 14.663 14.752 14.883 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.869 12.864 16.437 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.516 12.267 16.434 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.530 14.612 18.919 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.799 13.064 18.111 1.00 0.00 H new ATOM 1041 N GLU A 67 17.221 14.945 15.240 1.00 0.00 N ATOM 1042 CA GLU A 67 18.647 15.185 15.059 1.00 0.00 C ATOM 1043 C GLU A 67 19.442 13.912 15.329 1.00 0.00 C ATOM 1044 O GLU A 67 20.337 13.554 14.565 1.00 0.00 O ATOM 1045 CB GLU A 67 19.116 16.291 16.007 1.00 0.00 C ATOM 1046 CG GLU A 67 20.643 16.277 16.095 1.00 0.00 C ATOM 1047 CD GLU A 67 21.148 17.618 16.615 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.337 18.376 17.123 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.335 17.869 16.498 1.00 0.00 O ATOM 0 H GLU A 67 16.747 15.626 15.833 1.00 0.00 H new ATOM 0 HA GLU A 67 18.816 15.495 14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.771 17.261 15.649 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.683 16.144 16.996 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.970 15.475 16.757 1.00 0.00 H new ATOM 0 HG3 GLU A 67 21.070 16.074 15.113 1.00 0.00 H new ATOM 1056 N ASP A 68 19.107 13.233 16.421 1.00 0.00 N ATOM 1057 CA ASP A 68 19.796 12.000 16.784 1.00 0.00 C ATOM 1058 C ASP A 68 19.383 10.863 15.855 1.00 0.00 C ATOM 1059 O ASP A 68 18.725 9.911 16.279 1.00 0.00 O ATOM 1060 CB ASP A 68 19.469 11.626 18.231 1.00 0.00 C ATOM 1061 CG ASP A 68 20.311 10.430 18.664 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.165 10.022 17.893 1.00 0.00 O ATOM 1063 OD2 ASP A 68 20.091 9.942 19.760 1.00 0.00 O ATOM 0 H ASP A 68 18.368 13.513 17.066 1.00 0.00 H new ATOM 0 HA ASP A 68 20.869 12.162 16.686 1.00 0.00 H new ATOM 0 HB2 ASP A 68 19.663 12.474 18.887 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.409 11.388 18.323 1.00 0.00 H new ATOM 1068 N CYS A 69 19.772 10.967 14.589 1.00 0.00 N ATOM 1069 CA CYS A 69 19.444 9.934 13.613 1.00 0.00 C ATOM 1070 C CYS A 69 20.465 9.925 12.479 1.00 0.00 C ATOM 1071 O CYS A 69 20.476 10.820 11.634 1.00 0.00 O ATOM 1072 CB CYS A 69 18.046 10.178 13.042 1.00 0.00 C ATOM 1073 SG CYS A 69 16.884 10.465 14.398 1.00 0.00 S ATOM 0 H CYS A 69 20.310 11.749 14.217 1.00 0.00 H new ATOM 0 HA CYS A 69 19.466 8.967 14.115 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.060 11.038 12.372 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.728 9.319 12.451 1.00 0.00 H new ATOM 0 HG CYS A 69 16.764 9.380 15.103 1.00 0.00 H new ATOM 1079 N ASP A 70 21.320 8.907 12.466 1.00 0.00 N ATOM 1080 CA ASP A 70 22.338 8.791 11.429 1.00 0.00 C ATOM 1081 C ASP A 70 21.713 8.334 10.116 1.00 0.00 C ATOM 1082 O ASP A 70 21.801 7.161 9.750 1.00 0.00 O ATOM 1083 CB ASP A 70 23.413 7.793 11.861 1.00 0.00 C ATOM 1084 CG ASP A 70 24.618 7.888 10.932 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.626 8.774 10.093 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.516 7.074 11.072 1.00 0.00 O ATOM 0 H ASP A 70 21.328 8.156 13.156 1.00 0.00 H new ATOM 0 HA ASP A 70 22.793 9.770 11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.718 7.997 12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 70 23.009 6.781 11.843 1.00 0.00 H new ATOM 1091 N ILE A 71 21.079 9.266 9.412 1.00 0.00 N ATOM 1092 CA ILE A 71 20.430 8.945 8.146 1.00 0.00 C ATOM 1093 C ILE A 71 20.957 9.842 7.030 1.00 0.00 C ATOM 1094 O ILE A 71 21.561 10.883 7.291 1.00 0.00 O ATOM 1095 CB ILE A 71 18.917 9.125 8.276 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.604 10.592 8.581 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.395 8.246 9.416 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.092 10.769 8.740 1.00 0.00 C ATOM 0 H ILE A 71 21.001 10.243 9.694 1.00 0.00 H new ATOM 0 HA ILE A 71 20.653 7.907 7.898 1.00 0.00 H new ATOM 0 HB ILE A 71 18.434 8.835 7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.115 10.902 9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 71 18.973 11.228 7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.317 8.374 9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.619 7.201 9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.877 8.537 10.349 1.00 0.00 H new ATOM 0 HD11 ILE A 71 16.869 11.814 8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.592 10.476 7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.737 10.144 9.559 1.00 0.00 H new ATOM 1110 N LYS A 72 20.727 9.431 5.787 1.00 0.00 N ATOM 1111 CA LYS A 72 21.174 10.213 4.640 1.00 0.00 C ATOM 1112 C LYS A 72 20.152 10.140 3.509 1.00 0.00 C ATOM 1113 O LYS A 72 19.047 9.628 3.689 1.00 0.00 O ATOM 1114 CB LYS A 72 22.522 9.688 4.144 1.00 0.00 C ATOM 1115 CG LYS A 72 22.417 8.187 3.870 1.00 0.00 C ATOM 1116 CD LYS A 72 23.809 7.623 3.578 1.00 0.00 C ATOM 1117 CE LYS A 72 24.384 8.297 2.331 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.044 9.576 2.718 1.00 0.00 N ATOM 0 H LYS A 72 20.238 8.568 5.549 1.00 0.00 H new ATOM 0 HA LYS A 72 21.280 11.252 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.817 10.214 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.295 9.879 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.980 7.679 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.755 8.007 3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 72 24.467 7.791 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 72 23.752 6.545 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 72 25.103 7.636 1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 72 23.590 8.489 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 24.541 10.373 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 25.020 9.680 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 26.032 9.569 2.394 1.00 0.00 H new ATOM 1132 N ALA A 73 20.531 10.654 2.342 1.00 0.00 N ATOM 1133 CA ALA A 73 19.637 10.649 1.190 1.00 0.00 C ATOM 1134 C ALA A 73 20.157 9.703 0.114 1.00 0.00 C ATOM 1135 O ALA A 73 21.360 9.637 -0.140 1.00 0.00 O ATOM 1136 CB ALA A 73 19.516 12.062 0.616 1.00 0.00 C ATOM 0 H ALA A 73 21.444 11.076 2.170 1.00 0.00 H new ATOM 0 HA ALA A 73 18.655 10.305 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.847 12.049 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.116 12.731 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.500 12.414 0.305 1.00 0.00 H new ATOM 1142 N LEU A 74 19.245 8.969 -0.516 1.00 0.00 N ATOM 1143 CA LEU A 74 19.625 8.021 -1.556 1.00 0.00 C ATOM 1144 C LEU A 74 19.385 8.617 -2.939 1.00 0.00 C ATOM 1145 O LEU A 74 20.215 9.366 -3.456 1.00 0.00 O ATOM 1146 CB LEU A 74 18.819 6.730 -1.406 1.00 0.00 C ATOM 1147 CG LEU A 74 19.156 6.071 -0.068 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.223 4.883 0.168 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.606 5.582 -0.094 1.00 0.00 C ATOM 0 H LEU A 74 18.244 9.012 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 74 20.687 7.800 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.752 6.947 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.047 6.049 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 74 19.029 6.796 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.465 4.415 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.190 5.230 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.349 4.157 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.849 5.112 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.731 4.857 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.272 6.428 -0.261 1.00 0.00 H new ATOM 1161 N GLY A 75 18.246 8.281 -3.535 1.00 0.00 N ATOM 1162 CA GLY A 75 17.912 8.783 -4.863 1.00 0.00 C ATOM 1163 C GLY A 75 17.872 10.306 -4.875 1.00 0.00 C ATOM 1164 O GLY A 75 18.701 10.964 -4.247 1.00 0.00 O ATOM 0 H GLY A 75 17.543 7.668 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.647 8.429 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.945 8.387 -5.173 1.00 0.00 H new ATOM 1168 N LYS A 76 16.901 10.862 -5.595 1.00 0.00 N ATOM 1169 CA LYS A 76 16.767 12.310 -5.688 1.00 0.00 C ATOM 1170 C LYS A 76 16.193 12.878 -4.395 1.00 0.00 C ATOM 1171 O LYS A 76 16.041 14.092 -4.251 1.00 0.00 O ATOM 1172 CB LYS A 76 15.853 12.676 -6.859 1.00 0.00 C ATOM 1173 CG LYS A 76 14.421 12.243 -6.543 1.00 0.00 C ATOM 1174 CD LYS A 76 13.568 12.335 -7.811 1.00 0.00 C ATOM 1175 CE LYS A 76 13.500 13.789 -8.276 1.00 0.00 C ATOM 1176 NZ LYS A 76 14.719 14.115 -9.069 1.00 0.00 N ATOM 0 H LYS A 76 16.201 10.335 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 76 17.756 12.738 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.888 13.750 -7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.199 12.188 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.414 11.222 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.001 12.878 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.996 11.711 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.564 11.958 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.607 13.947 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.424 14.454 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.295 14.809 -8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.275 13.250 -9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.439 14.514 -9.987 1.00 0.00 H new ATOM 1190 N THR A 77 15.877 11.993 -3.456 1.00 0.00 N ATOM 1191 CA THR A 77 15.311 12.417 -2.180 1.00 0.00 C ATOM 1192 C THR A 77 16.114 13.576 -1.597 1.00 0.00 C ATOM 1193 O THR A 77 17.312 13.448 -1.345 1.00 0.00 O ATOM 1194 CB THR A 77 15.312 11.247 -1.194 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.583 10.161 -1.750 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.659 11.682 0.119 1.00 0.00 C ATOM 0 H THR A 77 16.002 10.985 -3.552 1.00 0.00 H new ATOM 0 HA THR A 77 14.287 12.748 -2.350 1.00 0.00 H new ATOM 0 HB THR A 77 16.339 10.936 -1.001 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.117 9.342 -1.687 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.661 10.847 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.218 12.515 0.545 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.632 11.994 -0.071 1.00 0.00 H new ATOM 1204 N LYS A 78 15.446 14.705 -1.386 1.00 0.00 N ATOM 1205 CA LYS A 78 16.108 15.879 -0.832 1.00 0.00 C ATOM 1206 C LYS A 78 16.189 15.780 0.689 1.00 0.00 C ATOM 1207 O LYS A 78 15.169 15.667 1.368 1.00 0.00 O ATOM 1208 CB LYS A 78 15.342 17.145 -1.224 1.00 0.00 C ATOM 1209 CG LYS A 78 16.142 18.377 -0.798 1.00 0.00 C ATOM 1210 CD LYS A 78 15.355 19.643 -1.144 1.00 0.00 C ATOM 1211 CE LYS A 78 16.194 20.876 -0.806 1.00 0.00 C ATOM 1212 NZ LYS A 78 16.348 20.982 0.673 1.00 0.00 N ATOM 0 H LYS A 78 14.454 14.831 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 78 17.119 15.928 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.173 17.162 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.362 17.152 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.341 18.342 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 78 17.108 18.388 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.097 19.645 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.418 19.664 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.173 20.804 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.715 21.773 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.689 21.933 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.429 20.815 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.033 20.272 1.002 1.00 0.00 H new ATOM 1226 N LEU A 79 17.408 15.823 1.215 1.00 0.00 N ATOM 1227 CA LEU A 79 17.609 15.734 2.657 1.00 0.00 C ATOM 1228 C LEU A 79 18.168 17.045 3.203 1.00 0.00 C ATOM 1229 O LEU A 79 19.149 17.576 2.683 1.00 0.00 O ATOM 1230 CB LEU A 79 18.576 14.592 2.978 1.00 0.00 C ATOM 1231 CG LEU A 79 18.849 14.564 4.483 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.525 14.455 5.240 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.728 13.357 4.818 1.00 0.00 C ATOM 0 H LEU A 79 18.265 15.918 0.670 1.00 0.00 H new ATOM 0 HA LEU A 79 16.646 15.539 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.152 13.641 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.509 14.726 2.431 1.00 0.00 H new ATOM 0 HG LEU A 79 19.361 15.481 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.720 14.435 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.897 15.314 5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.013 13.539 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.923 13.336 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.215 12.441 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.672 13.433 4.279 1.00 0.00 H new ATOM 1245 N GLU A 80 17.535 17.559 4.252 1.00 0.00 N ATOM 1246 CA GLU A 80 17.973 18.811 4.856 1.00 0.00 C ATOM 1247 C GLU A 80 17.610 18.847 6.337 1.00 0.00 C ATOM 1248 O GLU A 80 16.599 18.279 6.752 1.00 0.00 O ATOM 1249 CB GLU A 80 17.318 19.994 4.139 1.00 0.00 C ATOM 1250 CG GLU A 80 17.786 21.302 4.779 1.00 0.00 C ATOM 1251 CD GLU A 80 19.295 21.453 4.615 1.00 0.00 C ATOM 1252 OE1 GLU A 80 19.831 20.871 3.687 1.00 0.00 O ATOM 1253 OE2 GLU A 80 19.892 22.149 5.421 1.00 0.00 O ATOM 0 H GLU A 80 16.723 17.132 4.698 1.00 0.00 H new ATOM 0 HA GLU A 80 19.056 18.881 4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.579 19.981 3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.233 19.915 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.275 22.146 4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.524 21.313 5.837 1.00 0.00 H new ATOM 1260 N GLN A 81 18.440 19.517 7.129 1.00 0.00 N ATOM 1261 CA GLN A 81 18.189 19.629 8.561 1.00 0.00 C ATOM 1262 C GLN A 81 17.669 21.021 8.907 1.00 0.00 C ATOM 1263 O GLN A 81 18.000 22.001 8.240 1.00 0.00 O ATOM 1264 CB GLN A 81 19.477 19.355 9.340 1.00 0.00 C ATOM 1265 CG GLN A 81 19.170 19.316 10.838 1.00 0.00 C ATOM 1266 CD GLN A 81 20.441 19.009 11.623 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.472 18.687 11.034 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.427 19.091 12.925 1.00 0.00 N ATOM 0 H GLN A 81 19.286 19.987 6.807 1.00 0.00 H new ATOM 0 HA GLN A 81 17.434 18.893 8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.912 18.407 9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 81 20.214 20.130 9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.757 20.273 11.158 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.414 18.558 11.043 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.570 19.358 13.410 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.273 18.888 13.458 1.00 0.00 H new ATOM 1277 N GLN A 82 16.854 21.099 9.954 1.00 0.00 N ATOM 1278 CA GLN A 82 16.289 22.376 10.377 1.00 0.00 C ATOM 1279 C GLN A 82 17.012 22.898 11.615 1.00 0.00 C ATOM 1280 O GLN A 82 17.795 22.179 12.237 1.00 0.00 O ATOM 1281 CB GLN A 82 14.800 22.211 10.683 1.00 0.00 C ATOM 1282 CG GLN A 82 14.219 21.097 9.813 1.00 0.00 C ATOM 1283 CD GLN A 82 14.568 21.343 8.348 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.459 22.471 7.865 1.00 0.00 O ATOM 1285 NE2 GLN A 82 14.983 20.352 7.610 1.00 0.00 N ATOM 0 H GLN A 82 16.571 20.300 10.522 1.00 0.00 H new ATOM 0 HA GLN A 82 16.415 23.095 9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.659 21.974 11.738 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.273 23.146 10.494 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.613 20.132 10.132 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.137 21.056 9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.072 19.419 8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.218 20.510 6.630 1.00 0.00 H new ATOM 1294 N GLU A 83 16.744 24.151 11.967 1.00 0.00 N ATOM 1295 CA GLU A 83 17.375 24.757 13.133 1.00 0.00 C ATOM 1296 C GLU A 83 16.932 24.050 14.410 1.00 0.00 C ATOM 1297 O GLU A 83 17.724 23.862 15.333 1.00 0.00 O ATOM 1298 CB GLU A 83 17.008 26.240 13.214 1.00 0.00 C ATOM 1299 CG GLU A 83 17.446 26.945 11.929 1.00 0.00 C ATOM 1300 CD GLU A 83 17.160 28.440 12.032 1.00 0.00 C ATOM 1301 OE1 GLU A 83 16.503 28.833 12.982 1.00 0.00 O ATOM 1302 OE2 GLU A 83 17.601 29.169 11.158 1.00 0.00 O ATOM 0 H GLU A 83 16.099 24.762 11.466 1.00 0.00 H new ATOM 0 HA GLU A 83 18.456 24.656 13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.933 26.352 13.355 1.00 0.00 H new ATOM 0 HB3 GLU A 83 17.492 26.699 14.076 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.510 26.781 11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.917 26.523 11.074 1.00 0.00 H new ATOM 1309 N ASN A 84 15.662 23.663 14.455 1.00 0.00 N ATOM 1310 CA ASN A 84 15.122 22.979 15.624 1.00 0.00 C ATOM 1311 C ASN A 84 15.925 21.718 15.926 1.00 0.00 C ATOM 1312 O ASN A 84 15.951 21.245 17.063 1.00 0.00 O ATOM 1313 CB ASN A 84 13.658 22.608 15.382 1.00 0.00 C ATOM 1314 CG ASN A 84 13.516 21.895 14.041 1.00 0.00 C ATOM 1315 OD1 ASN A 84 14.262 20.856 13.784 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.705 22.296 13.207 1.00 0.00 N flip ATOM 0 H ASN A 84 14.991 23.810 13.701 1.00 0.00 H new ATOM 0 HA ASN A 84 15.190 23.652 16.479 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.300 21.964 16.185 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.040 23.506 15.393 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.123 23.109 13.411 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.614 21.816 12.312 1.00 0.00 H new ATOM 1323 N GLY A 85 16.576 21.178 14.902 1.00 0.00 N ATOM 1324 CA GLY A 85 17.385 19.976 15.072 1.00 0.00 C ATOM 1325 C GLY A 85 16.629 18.740 14.601 1.00 0.00 C ATOM 1326 O GLY A 85 16.519 17.753 15.328 1.00 0.00 O ATOM 0 H GLY A 85 16.560 21.550 13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.313 20.075 14.510 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.658 19.862 16.121 1.00 0.00 H new ATOM 1330 N GLU A 86 16.107 18.802 13.380 1.00 0.00 N ATOM 1331 CA GLU A 86 15.382 17.671 12.812 1.00 0.00 C ATOM 1332 C GLU A 86 15.738 17.491 11.340 1.00 0.00 C ATOM 1333 O GLU A 86 16.075 18.453 10.649 1.00 0.00 O ATOM 1334 CB GLU A 86 13.876 17.897 12.948 1.00 0.00 C ATOM 1335 CG GLU A 86 13.497 17.941 14.430 1.00 0.00 C ATOM 1336 CD GLU A 86 11.992 18.132 14.578 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.343 18.371 13.572 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.508 18.037 15.695 1.00 0.00 O ATOM 0 H GLU A 86 16.172 19.616 12.769 1.00 0.00 H new ATOM 0 HA GLU A 86 15.667 16.771 13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.592 18.830 12.462 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.331 17.098 12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.805 17.017 14.920 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.026 18.756 14.925 1.00 0.00 H new ATOM 1345 N TRP A 87 15.659 16.252 10.864 1.00 0.00 N ATOM 1346 CA TRP A 87 15.973 15.957 9.471 1.00 0.00 C ATOM 1347 C TRP A 87 14.695 15.716 8.675 1.00 0.00 C ATOM 1348 O TRP A 87 13.746 15.111 9.174 1.00 0.00 O ATOM 1349 CB TRP A 87 16.870 14.720 9.386 1.00 0.00 C ATOM 1350 CG TRP A 87 18.240 15.062 9.876 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.678 14.885 11.144 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.356 15.631 9.133 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.993 15.307 11.226 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.454 15.780 10.012 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.520 16.032 7.794 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.673 16.304 9.579 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.744 16.564 7.356 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.817 16.701 8.247 1.00 0.00 C ATOM 0 H TRP A 87 15.382 15.442 11.418 1.00 0.00 H new ATOM 0 HA TRP A 87 16.497 16.814 9.047 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.450 13.911 9.984 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.919 14.363 8.357 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.096 14.480 11.959 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.553 15.273 12.078 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.700 15.930 7.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.499 16.402 10.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.859 16.869 6.326 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.755 17.113 7.904 1.00 0.00 H new ATOM 1369 N VAL A 88 14.676 16.193 7.434 1.00 0.00 N ATOM 1370 CA VAL A 88 13.505 16.031 6.582 1.00 0.00 C ATOM 1371 C VAL A 88 13.894 15.397 5.250 1.00 0.00 C ATOM 1372 O VAL A 88 14.888 15.783 4.634 1.00 0.00 O ATOM 1373 CB VAL A 88 12.848 17.390 6.331 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.688 17.222 5.349 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.319 17.950 7.653 1.00 0.00 C ATOM 0 H VAL A 88 15.453 16.691 6.999 1.00 0.00 H new ATOM 0 HA VAL A 88 12.798 15.375 7.090 1.00 0.00 H new ATOM 0 HB VAL A 88 13.582 18.078 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.220 18.190 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.063 16.821 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.953 16.535 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.851 18.918 7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.584 17.262 8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.145 18.069 8.354 1.00 0.00 H new ATOM 1385 N ALA A 89 13.103 14.424 4.810 1.00 0.00 N ATOM 1386 CA ALA A 89 13.374 13.744 3.548 1.00 0.00 C ATOM 1387 C ALA A 89 12.076 13.498 2.785 1.00 0.00 C ATOM 1388 O ALA A 89 11.285 12.628 3.151 1.00 0.00 O ATOM 1389 CB ALA A 89 14.074 12.410 3.813 1.00 0.00 C ATOM 0 H ALA A 89 12.275 14.090 5.304 1.00 0.00 H new ATOM 0 HA ALA A 89 14.023 14.380 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.273 11.909 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 89 15.015 12.590 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.434 11.779 4.430 1.00 0.00 H new ATOM 1395 N SER A 90 11.864 14.269 1.723 1.00 0.00 N ATOM 1396 CA SER A 90 10.650 14.136 0.926 1.00 0.00 C ATOM 1397 C SER A 90 10.988 13.710 -0.500 1.00 0.00 C ATOM 1398 O SER A 90 11.994 14.138 -1.064 1.00 0.00 O ATOM 1399 CB SER A 90 9.897 15.465 0.897 1.00 0.00 C ATOM 1400 OG SER A 90 10.582 16.375 0.046 1.00 0.00 O ATOM 0 H SER A 90 12.511 14.987 1.397 1.00 0.00 H new ATOM 0 HA SER A 90 10.021 13.371 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.879 15.311 0.540 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.823 15.876 1.904 1.00 0.00 H new ATOM 0 HG SER A 90 10.100 17.228 0.024 1.00 0.00 H new ATOM 1406 N VAL A 91 10.139 12.865 -1.074 1.00 0.00 N ATOM 1407 CA VAL A 91 10.347 12.397 -2.440 1.00 0.00 C ATOM 1408 C VAL A 91 9.058 11.813 -3.006 1.00 0.00 C ATOM 1409 O VAL A 91 8.302 11.148 -2.296 1.00 0.00 O ATOM 1410 CB VAL A 91 11.447 11.336 -2.468 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.919 10.037 -1.859 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.873 11.083 -3.916 1.00 0.00 C ATOM 0 H VAL A 91 9.306 12.492 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 91 10.649 13.246 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 91 12.304 11.685 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.704 9.281 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.614 10.216 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.063 9.687 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.657 10.327 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 91 11.016 10.733 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.249 12.009 -4.352 1.00 0.00 H new ATOM 1422 N VAL A 92 8.811 12.065 -4.288 1.00 0.00 N ATOM 1423 CA VAL A 92 7.606 11.562 -4.937 1.00 0.00 C ATOM 1424 C VAL A 92 7.930 10.353 -5.810 1.00 0.00 C ATOM 1425 O VAL A 92 8.900 10.364 -6.568 1.00 0.00 O ATOM 1426 CB VAL A 92 6.980 12.660 -5.797 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.707 12.129 -6.459 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.630 13.859 -4.913 1.00 0.00 C ATOM 0 H VAL A 92 9.424 12.610 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 92 6.900 11.258 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 92 7.688 12.966 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.262 12.913 -7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.953 11.273 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.998 11.822 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.183 14.643 -5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.921 13.550 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.536 14.239 -4.440 1.00 0.00 H new ATOM 1438 N VAL A 93 7.111 9.312 -5.698 1.00 0.00 N ATOM 1439 CA VAL A 93 7.319 8.100 -6.481 1.00 0.00 C ATOM 1440 C VAL A 93 6.173 7.899 -7.468 1.00 0.00 C ATOM 1441 O VAL A 93 5.002 7.953 -7.094 1.00 0.00 O ATOM 1442 CB VAL A 93 7.412 6.888 -5.552 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.752 5.642 -6.371 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.507 7.127 -4.511 1.00 0.00 C ATOM 0 H VAL A 93 6.302 9.283 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 93 8.251 8.204 -7.037 1.00 0.00 H new ATOM 0 HB VAL A 93 6.456 6.742 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.818 4.778 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.973 5.471 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.708 5.787 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.574 6.264 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.462 7.273 -5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.266 8.015 -3.927 1.00 0.00 H new ATOM 1454 N TYR A 94 6.519 7.668 -8.730 1.00 0.00 N ATOM 1455 CA TYR A 94 5.511 7.464 -9.762 1.00 0.00 C ATOM 1456 C TYR A 94 5.217 5.978 -9.937 1.00 0.00 C ATOM 1457 O TYR A 94 6.075 5.131 -9.686 1.00 0.00 O ATOM 1458 CB TYR A 94 5.993 8.053 -11.089 1.00 0.00 C ATOM 1459 CG TYR A 94 6.140 9.550 -10.950 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.011 10.344 -10.711 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.405 10.142 -11.045 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.148 11.730 -10.571 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.541 11.527 -10.902 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.412 12.321 -10.665 1.00 0.00 C ATOM 1465 OH TYR A 94 6.547 13.688 -10.526 1.00 0.00 O ATOM 0 H TYR A 94 7.483 7.618 -9.061 1.00 0.00 H new ATOM 0 HA TYR A 94 4.596 7.969 -9.454 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.947 7.608 -11.372 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.284 7.818 -11.883 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.035 9.887 -10.635 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.276 9.530 -11.229 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.277 12.343 -10.390 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.517 11.984 -10.974 1.00 0.00 H new ATOM 0 HH TYR A 94 6.298 14.128 -11.365 1.00 0.00 H new ATOM 1475 N PRO A 95 4.025 5.653 -10.359 1.00 0.00 N ATOM 1476 CA PRO A 95 3.600 4.238 -10.564 1.00 0.00 C ATOM 1477 C PRO A 95 4.466 3.523 -11.597 1.00 0.00 C ATOM 1478 O PRO A 95 5.026 4.151 -12.495 1.00 0.00 O ATOM 1479 CB PRO A 95 2.151 4.351 -11.052 1.00 0.00 C ATOM 1480 CG PRO A 95 1.989 5.760 -11.520 1.00 0.00 C ATOM 1481 CD PRO A 95 2.945 6.613 -10.687 1.00 0.00 C ATOM 0 HA PRO A 95 3.698 3.649 -9.652 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.954 3.646 -11.859 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.449 4.122 -10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.221 5.844 -12.582 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.960 6.095 -11.391 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.319 7.469 -11.248 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.464 7.005 -9.791 1.00 0.00 H new ATOM 1489 N CYS A 96 4.573 2.205 -11.460 1.00 0.00 N ATOM 1490 CA CYS A 96 5.383 1.415 -12.379 1.00 0.00 C ATOM 1491 C CYS A 96 6.856 1.789 -12.251 1.00 0.00 C ATOM 1492 O CYS A 96 7.689 1.354 -13.047 1.00 0.00 O ATOM 1493 CB CYS A 96 4.918 1.647 -13.818 1.00 0.00 C ATOM 1494 SG CYS A 96 3.110 1.739 -13.860 1.00 0.00 S ATOM 0 H CYS A 96 4.113 1.665 -10.727 1.00 0.00 H new ATOM 0 HA CYS A 96 5.264 0.362 -12.125 1.00 0.00 H new ATOM 0 HB2 CYS A 96 5.349 2.570 -14.207 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.267 0.838 -14.459 1.00 0.00 H new ATOM 0 HG CYS A 96 2.714 1.938 -15.082 1.00 0.00 H new ATOM 1500 N GLU A 97 7.169 2.598 -11.243 1.00 0.00 N ATOM 1501 CA GLU A 97 8.545 3.026 -11.019 1.00 0.00 C ATOM 1502 C GLU A 97 8.890 2.965 -9.534 1.00 0.00 C ATOM 1503 O GLU A 97 8.053 3.254 -8.679 1.00 0.00 O ATOM 1504 CB GLU A 97 8.735 4.456 -11.530 1.00 0.00 C ATOM 1505 CG GLU A 97 8.785 4.450 -13.059 1.00 0.00 C ATOM 1506 CD GLU A 97 10.090 3.819 -13.535 1.00 0.00 C ATOM 1507 OE1 GLU A 97 11.008 3.732 -12.737 1.00 0.00 O ATOM 1508 OE2 GLU A 97 10.151 3.435 -14.691 1.00 0.00 O ATOM 0 H GLU A 97 6.494 2.968 -10.573 1.00 0.00 H new ATOM 0 HA GLU A 97 9.209 2.354 -11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.917 5.088 -11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.656 4.878 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.936 3.894 -13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.704 5.469 -13.438 1.00 0.00 H new ATOM 1515 N THR A 98 10.129 2.585 -9.234 1.00 0.00 N ATOM 1516 CA THR A 98 10.576 2.494 -7.849 1.00 0.00 C ATOM 1517 C THR A 98 11.823 3.346 -7.634 1.00 0.00 C ATOM 1518 O THR A 98 12.738 3.343 -8.458 1.00 0.00 O ATOM 1519 CB THR A 98 10.881 1.038 -7.493 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.839 0.205 -7.983 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.981 0.893 -5.973 1.00 0.00 C ATOM 0 H THR A 98 10.836 2.337 -9.926 1.00 0.00 H new ATOM 0 HA THR A 98 9.780 2.865 -7.203 1.00 0.00 H new ATOM 0 HB THR A 98 11.827 0.742 -7.947 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.174 -0.333 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.198 -0.145 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.780 1.533 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.036 1.187 -5.516 1.00 0.00 H new ATOM 1529 N GLU A 99 11.853 4.071 -6.521 1.00 0.00 N ATOM 1530 CA GLU A 99 12.989 4.934 -6.215 1.00 0.00 C ATOM 1531 C GLU A 99 13.472 4.699 -4.787 1.00 0.00 C ATOM 1532 O GLU A 99 12.733 4.186 -3.947 1.00 0.00 O ATOM 1533 CB GLU A 99 12.591 6.402 -6.385 1.00 0.00 C ATOM 1534 CG GLU A 99 11.975 6.607 -7.769 1.00 0.00 C ATOM 1535 CD GLU A 99 11.699 8.088 -8.003 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.824 8.850 -7.058 1.00 0.00 O ATOM 1537 OE2 GLU A 99 11.365 8.439 -9.123 1.00 0.00 O ATOM 0 H GLU A 99 11.111 4.079 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 99 13.798 4.694 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.878 6.688 -5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.465 7.043 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.651 6.229 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.049 6.039 -7.852 1.00 0.00 H new ATOM 1544 N MET A 100 14.719 5.076 -4.521 1.00 0.00 N ATOM 1545 CA MET A 100 15.289 4.912 -3.188 1.00 0.00 C ATOM 1546 C MET A 100 14.895 6.080 -2.289 1.00 0.00 C ATOM 1547 O MET A 100 14.679 7.195 -2.764 1.00 0.00 O ATOM 1548 CB MET A 100 16.814 4.829 -3.279 1.00 0.00 C ATOM 1549 CG MET A 100 17.208 3.724 -4.261 1.00 0.00 C ATOM 1550 SD MET A 100 16.545 2.141 -3.685 1.00 0.00 S ATOM 1551 CE MET A 100 17.497 2.040 -2.150 1.00 0.00 C ATOM 0 H MET A 100 15.350 5.494 -5.205 1.00 0.00 H new ATOM 0 HA MET A 100 14.899 3.989 -2.758 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.222 5.785 -3.608 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.237 4.624 -2.296 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.823 3.952 -5.255 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.293 3.667 -4.345 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.676 0.994 -1.901 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.451 2.550 -2.280 1.00 0.00 H new ATOM 0 HE3 MET A 100 16.938 2.515 -1.343 1.00 0.00 H new ATOM 1561 N PHE A 101 14.807 5.816 -0.990 1.00 0.00 N ATOM 1562 CA PHE A 101 14.425 6.850 -0.035 1.00 0.00 C ATOM 1563 C PHE A 101 15.636 7.303 0.775 1.00 0.00 C ATOM 1564 O PHE A 101 16.455 8.087 0.299 1.00 0.00 O ATOM 1565 CB PHE A 101 13.346 6.318 0.910 1.00 0.00 C ATOM 1566 CG PHE A 101 12.905 7.424 1.839 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.699 8.715 1.340 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.650 7.146 3.188 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.252 9.732 2.192 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.201 8.163 4.039 1.00 0.00 C ATOM 1571 CZ PHE A 101 12.002 9.457 3.541 1.00 0.00 C ATOM 0 H PHE A 101 14.993 4.902 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 101 14.032 7.702 -0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.496 5.948 0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.733 5.477 1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.885 8.927 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.800 6.148 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.100 10.730 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.008 7.950 5.080 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.656 10.242 4.198 1.00 0.00 H new ATOM 1581 N ILE A 102 15.740 6.802 2.002 1.00 0.00 N ATOM 1582 CA ILE A 102 16.860 7.155 2.867 1.00 0.00 C ATOM 1583 C ILE A 102 17.510 5.900 3.444 1.00 0.00 C ATOM 1584 O ILE A 102 16.912 4.824 3.444 1.00 0.00 O ATOM 1585 CB ILE A 102 16.374 8.050 4.008 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.459 7.243 4.933 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.599 9.235 3.433 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.308 6.456 5.932 1.00 0.00 C ATOM 0 H ILE A 102 15.069 6.156 2.417 1.00 0.00 H new ATOM 0 HA ILE A 102 17.599 7.692 2.272 1.00 0.00 H new ATOM 0 HB ILE A 102 17.231 8.417 4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.780 7.911 5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.842 6.561 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.253 9.873 4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.249 9.809 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.741 8.869 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.656 5.882 6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.968 5.777 5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.905 7.148 6.526 1.00 0.00 H new ATOM 1600 N GLU A 103 18.737 6.047 3.933 1.00 0.00 N ATOM 1601 CA GLU A 103 19.459 4.917 4.507 1.00 0.00 C ATOM 1602 C GLU A 103 20.170 5.331 5.792 1.00 0.00 C ATOM 1603 O GLU A 103 20.454 6.510 6.002 1.00 0.00 O ATOM 1604 CB GLU A 103 20.485 4.387 3.501 1.00 0.00 C ATOM 1605 CG GLU A 103 21.284 3.250 4.138 1.00 0.00 C ATOM 1606 CD GLU A 103 22.185 2.600 3.094 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.110 2.998 1.944 1.00 0.00 O ATOM 1608 OE2 GLU A 103 22.938 1.712 3.461 1.00 0.00 O ATOM 0 H GLU A 103 19.249 6.929 3.944 1.00 0.00 H new ATOM 0 HA GLU A 103 18.740 4.132 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.980 4.032 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.156 5.189 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.886 3.634 4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.605 2.508 4.558 1.00 0.00 H new ATOM 1615 N GLY A 104 20.455 4.353 6.646 1.00 0.00 N ATOM 1616 CA GLY A 104 21.139 4.627 7.904 1.00 0.00 C ATOM 1617 C GLY A 104 20.300 4.166 9.092 1.00 0.00 C ATOM 1618 O GLY A 104 19.359 3.387 8.935 1.00 0.00 O ATOM 0 H GLY A 104 20.225 3.371 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.104 4.119 7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.340 5.695 7.988 1.00 0.00 H new ATOM 1622 N ARG A 105 20.645 4.653 10.280 1.00 0.00 N ATOM 1623 CA ARG A 105 19.918 4.281 11.488 1.00 0.00 C ATOM 1624 C ARG A 105 18.746 5.229 11.720 1.00 0.00 C ATOM 1625 O ARG A 105 18.858 6.435 11.494 1.00 0.00 O ATOM 1626 CB ARG A 105 20.857 4.321 12.696 1.00 0.00 C ATOM 1627 CG ARG A 105 20.138 3.752 13.921 1.00 0.00 C ATOM 1628 CD ARG A 105 21.066 3.825 15.136 1.00 0.00 C ATOM 1629 NE ARG A 105 20.427 3.212 16.295 1.00 0.00 N ATOM 1630 CZ ARG A 105 19.537 3.881 17.021 1.00 0.00 C ATOM 1631 NH1 ARG A 105 19.222 5.106 16.702 1.00 0.00 N ATOM 1632 NH2 ARG A 105 18.979 3.310 18.055 1.00 0.00 N ATOM 0 H ARG A 105 21.418 5.301 10.431 1.00 0.00 H new ATOM 0 HA ARG A 105 19.533 3.269 11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.758 3.743 12.489 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.173 5.346 12.890 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.224 4.314 14.113 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.844 2.719 13.736 1.00 0.00 H new ATOM 0 HD2 ARG A 105 22.004 3.316 14.917 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.311 4.865 15.354 1.00 0.00 H new ATOM 0 HE ARG A 105 20.667 2.255 16.553 1.00 0.00 H new ATOM 0 HH11 ARG A 105 19.659 5.551 15.895 1.00 0.00 H new ATOM 0 HH12 ARG A 105 18.539 5.619 17.260 1.00 0.00 H new ATOM 0 HH21 ARG A 105 19.227 2.352 18.304 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.296 3.822 18.613 1.00 0.00 H new ATOM 1646 N VAL A 106 17.622 4.678 12.167 1.00 0.00 N ATOM 1647 CA VAL A 106 16.437 5.488 12.423 1.00 0.00 C ATOM 1648 C VAL A 106 15.912 5.248 13.835 1.00 0.00 C ATOM 1649 O VAL A 106 15.821 4.108 14.290 1.00 0.00 O ATOM 1650 CB VAL A 106 15.345 5.150 11.408 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.317 6.282 11.363 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.973 4.978 10.022 1.00 0.00 C ATOM 0 H VAL A 106 17.507 3.683 12.358 1.00 0.00 H new ATOM 0 HA VAL A 106 16.713 6.538 12.326 1.00 0.00 H new ATOM 0 HB VAL A 106 14.851 4.224 11.703 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.540 6.039 10.639 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.869 6.406 12.349 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.809 7.209 11.069 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.195 4.737 9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.467 5.904 9.729 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.704 4.170 10.052 1.00 0.00 H new ATOM 1662 N ASN A 107 15.564 6.331 14.521 1.00 0.00 N ATOM 1663 CA ASN A 107 15.050 6.234 15.882 1.00 0.00 C ATOM 1664 C ASN A 107 14.032 7.340 16.145 1.00 0.00 C ATOM 1665 O ASN A 107 14.359 8.525 16.077 1.00 0.00 O ATOM 1666 CB ASN A 107 16.199 6.346 16.886 1.00 0.00 C ATOM 1667 CG ASN A 107 17.096 7.523 16.523 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.116 7.958 15.372 1.00 0.00 O ATOM 1669 ND2 ASN A 107 17.846 8.068 17.442 1.00 0.00 N ATOM 0 H ASN A 107 15.628 7.282 14.159 1.00 0.00 H new ATOM 0 HA ASN A 107 14.562 5.267 15.999 1.00 0.00 H new ATOM 0 HB2 ASN A 107 15.802 6.478 17.892 1.00 0.00 H new ATOM 0 HB3 ASN A 107 16.780 5.424 16.891 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.450 8.856 17.207 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.828 7.706 18.396 1.00 0.00 H new ATOM 1676 N GLY A 108 12.798 6.945 16.438 1.00 0.00 N ATOM 1677 CA GLY A 108 11.743 7.916 16.706 1.00 0.00 C ATOM 1678 C GLY A 108 11.634 8.920 15.564 1.00 0.00 C ATOM 1679 O GLY A 108 12.449 9.834 15.450 1.00 0.00 O ATOM 0 H GLY A 108 12.505 5.970 16.496 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.791 7.400 16.836 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.952 8.440 17.639 1.00 0.00 H new ATOM 1683 N PHE A 109 10.624 8.743 14.718 1.00 0.00 N ATOM 1684 CA PHE A 109 10.432 9.636 13.581 1.00 0.00 C ATOM 1685 C PHE A 109 8.952 9.766 13.239 1.00 0.00 C ATOM 1686 O PHE A 109 8.143 8.910 13.598 1.00 0.00 O ATOM 1687 CB PHE A 109 11.191 9.097 12.367 1.00 0.00 C ATOM 1688 CG PHE A 109 10.757 7.676 12.096 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.337 6.619 12.805 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.766 7.418 11.140 1.00 0.00 C ATOM 1691 CE1 PHE A 109 10.930 5.302 12.558 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.358 6.101 10.893 1.00 0.00 C ATOM 1693 CZ PHE A 109 9.940 5.044 11.602 1.00 0.00 C ATOM 0 H PHE A 109 9.932 7.997 14.797 1.00 0.00 H new ATOM 0 HA PHE A 109 10.816 10.621 13.848 1.00 0.00 H new ATOM 0 HB2 PHE A 109 10.996 9.721 11.495 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.265 9.133 12.550 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.099 6.819 13.544 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.317 8.234 10.594 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.379 4.486 13.104 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.595 5.901 10.156 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.625 4.029 11.412 1.00 0.00 H new ATOM 1703 N LYS A 110 8.606 10.841 12.539 1.00 0.00 N ATOM 1704 CA LYS A 110 7.224 11.069 12.134 1.00 0.00 C ATOM 1705 C LYS A 110 7.061 10.820 10.638 1.00 0.00 C ATOM 1706 O LYS A 110 7.823 11.343 9.826 1.00 0.00 O ATOM 1707 CB LYS A 110 6.812 12.505 12.464 1.00 0.00 C ATOM 1708 CG LYS A 110 5.309 12.673 12.229 1.00 0.00 C ATOM 1709 CD LYS A 110 4.936 14.153 12.338 1.00 0.00 C ATOM 1710 CE LYS A 110 5.159 14.630 13.774 1.00 0.00 C ATOM 1711 NZ LYS A 110 4.377 15.877 14.011 1.00 0.00 N ATOM 0 H LYS A 110 9.260 11.565 12.241 1.00 0.00 H new ATOM 0 HA LYS A 110 6.584 10.376 12.680 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.056 12.735 13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.368 13.206 11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.039 12.291 11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.749 12.091 12.961 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.541 14.743 11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.894 14.299 12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.852 13.856 14.477 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.219 14.815 13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.529 16.201 14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.691 16.615 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.366 15.686 13.863 1.00 0.00 H new ATOM 1725 N SER A 111 6.066 10.013 10.283 1.00 0.00 N ATOM 1726 CA SER A 111 5.824 9.684 8.882 1.00 0.00 C ATOM 1727 C SER A 111 4.454 10.182 8.434 1.00 0.00 C ATOM 1728 O SER A 111 3.451 9.978 9.121 1.00 0.00 O ATOM 1729 CB SER A 111 5.910 8.172 8.683 1.00 0.00 C ATOM 1730 OG SER A 111 7.144 7.699 9.207 1.00 0.00 O ATOM 0 H SER A 111 5.419 9.578 10.940 1.00 0.00 H new ATOM 0 HA SER A 111 6.586 10.177 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.076 7.680 9.184 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.834 7.928 7.623 1.00 0.00 H new ATOM 0 HG SER A 111 6.970 7.013 9.885 1.00 0.00 H new ATOM 1736 N LYS A 112 4.419 10.829 7.274 1.00 0.00 N ATOM 1737 CA LYS A 112 3.166 11.329 6.721 1.00 0.00 C ATOM 1738 C LYS A 112 3.108 11.062 5.220 1.00 0.00 C ATOM 1739 O LYS A 112 3.990 11.483 4.472 1.00 0.00 O ATOM 1740 CB LYS A 112 3.039 12.832 6.980 1.00 0.00 C ATOM 1741 CG LYS A 112 1.644 13.305 6.566 1.00 0.00 C ATOM 1742 CD LYS A 112 1.394 14.708 7.121 1.00 0.00 C ATOM 1743 CE LYS A 112 2.372 15.693 6.478 1.00 0.00 C ATOM 1744 NZ LYS A 112 1.871 17.084 6.665 1.00 0.00 N ATOM 0 H LYS A 112 5.241 11.019 6.700 1.00 0.00 H new ATOM 0 HA LYS A 112 2.340 10.810 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.209 13.046 8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.800 13.374 6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.559 13.312 5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.888 12.614 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.368 15.013 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.519 14.710 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.359 15.587 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.480 15.474 5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.536 17.754 6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.938 17.180 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.790 17.290 7.681 1.00 0.00 H new ATOM 1758 N MET A 113 2.068 10.355 4.786 1.00 0.00 N ATOM 1759 CA MET A 113 1.922 10.026 3.372 1.00 0.00 C ATOM 1760 C MET A 113 0.532 10.396 2.866 1.00 0.00 C ATOM 1761 O MET A 113 -0.390 10.618 3.652 1.00 0.00 O ATOM 1762 CB MET A 113 2.160 8.530 3.160 1.00 0.00 C ATOM 1763 CG MET A 113 3.638 8.210 3.387 1.00 0.00 C ATOM 1764 SD MET A 113 3.952 6.479 2.961 1.00 0.00 S ATOM 1765 CE MET A 113 3.231 5.745 4.449 1.00 0.00 C ATOM 0 H MET A 113 1.322 10.002 5.386 1.00 0.00 H new ATOM 0 HA MET A 113 2.660 10.600 2.811 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.542 7.952 3.847 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.866 8.244 2.150 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.261 8.865 2.777 1.00 0.00 H new ATOM 0 HG3 MET A 113 3.905 8.394 4.428 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.669 4.761 4.618 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.436 6.386 5.307 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.153 5.645 4.320 1.00 0.00 H new ATOM 1775 N ASP A 114 0.390 10.456 1.545 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.887 10.798 0.932 1.00 0.00 C ATOM 1777 C ASP A 114 -0.960 10.242 -0.488 1.00 0.00 C ATOM 1778 O ASP A 114 0.037 9.759 -1.024 1.00 0.00 O ATOM 1779 CB ASP A 114 -1.062 12.318 0.900 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.531 12.668 0.691 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.319 11.754 0.512 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.847 13.847 0.712 1.00 0.00 O ATOM 0 H ASP A 114 1.142 10.273 0.881 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.687 10.356 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.705 12.753 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.460 12.745 0.098 1.00 0.00 H new ATOM 1787 N ALA A 115 -2.142 10.311 -1.090 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.324 9.813 -2.448 1.00 0.00 C ATOM 1789 C ALA A 115 -2.881 10.906 -3.355 1.00 0.00 C ATOM 1790 O ALA A 115 -4.093 11.095 -3.444 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.279 8.617 -2.444 1.00 0.00 C ATOM 0 H ALA A 115 -2.982 10.703 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.352 9.502 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.409 8.252 -3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.864 7.822 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.245 8.924 -2.043 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.984 11.621 -4.028 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.395 12.698 -4.919 1.00 0.00 C ATOM 1799 C LEU A 116 -2.619 12.167 -6.332 1.00 0.00 C ATOM 1800 O LEU A 116 -1.999 11.187 -6.743 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.324 13.791 -4.943 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.724 13.946 -3.544 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.239 15.134 -3.527 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.848 14.188 -2.533 1.00 0.00 C ATOM 0 H LEU A 116 -0.976 11.475 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.331 13.116 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.543 13.535 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.759 14.735 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.183 13.038 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.665 15.243 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.039 14.964 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.300 16.043 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.423 14.299 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.388 15.096 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.535 13.341 -2.543 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.491 12.797 -7.070 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.805 12.393 -8.472 1.00 0.00 C ATOM 1818 C PRO A 117 -2.696 12.784 -9.446 1.00 0.00 C ATOM 1819 O PRO A 117 -2.229 13.924 -9.444 1.00 0.00 O ATOM 1820 CB PRO A 117 -5.099 13.145 -8.793 1.00 0.00 C ATOM 1821 CG PRO A 117 -5.080 14.364 -7.930 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.311 13.991 -6.664 1.00 0.00 C ATOM 0 HA PRO A 117 -3.902 11.312 -8.569 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.145 13.413 -9.849 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.973 12.529 -8.582 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.599 15.196 -8.445 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.094 14.683 -7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.679 14.812 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.987 13.750 -5.844 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.279 11.833 -10.276 1.00 0.00 N ATOM 1831 CA LEU A 118 -1.224 12.091 -11.249 1.00 0.00 C ATOM 1832 C LEU A 118 -1.555 13.329 -12.076 1.00 0.00 C ATOM 1833 O LEU A 118 -2.424 13.290 -12.948 1.00 0.00 O ATOM 1834 CB LEU A 118 -1.057 10.887 -12.175 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.737 9.642 -11.347 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.110 8.391 -12.143 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.759 9.613 -11.027 1.00 0.00 C ATOM 0 H LEU A 118 -2.652 10.884 -10.295 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.292 12.263 -10.710 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.969 10.729 -12.750 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.257 11.075 -12.891 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.308 9.667 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.882 7.503 -11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.175 8.410 -12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.539 8.367 -13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.988 8.726 -10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.329 9.588 -11.956 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.027 10.505 -10.460 1.00 0.00 H new ATOM 1849 N SER A 119 -0.858 14.425 -11.797 1.00 0.00 N ATOM 1850 CA SER A 119 -1.087 15.668 -12.522 1.00 0.00 C ATOM 1851 C SER A 119 -0.344 15.656 -13.853 1.00 0.00 C ATOM 1852 O SER A 119 0.302 14.669 -14.206 1.00 0.00 O ATOM 1853 CB SER A 119 -0.615 16.856 -11.684 1.00 0.00 C ATOM 1854 OG SER A 119 -1.491 17.027 -10.577 1.00 0.00 O ATOM 0 H SER A 119 -0.135 14.478 -11.079 1.00 0.00 H new ATOM 0 HA SER A 119 -2.156 15.762 -12.716 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.403 16.687 -11.334 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.597 17.761 -12.292 1.00 0.00 H new ATOM 0 HG SER A 119 -1.190 17.787 -10.036 1.00 0.00 H new ATOM 1860 N GLU A 120 -0.439 16.760 -14.589 1.00 0.00 N ATOM 1861 CA GLU A 120 0.224 16.861 -15.883 1.00 0.00 C ATOM 1862 C GLU A 120 1.714 16.562 -15.744 1.00 0.00 C ATOM 1863 O GLU A 120 2.350 16.078 -16.680 1.00 0.00 O ATOM 1864 CB GLU A 120 0.035 18.265 -16.459 1.00 0.00 C ATOM 1865 CG GLU A 120 0.748 19.285 -15.569 1.00 0.00 C ATOM 1866 CD GLU A 120 0.397 20.700 -16.014 1.00 0.00 C ATOM 1867 OE1 GLU A 120 -0.261 20.833 -17.033 1.00 0.00 O ATOM 1868 OE2 GLU A 120 0.790 21.630 -15.330 1.00 0.00 O ATOM 0 H GLU A 120 -0.964 17.590 -14.314 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.222 16.130 -16.558 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.434 18.310 -17.472 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.027 18.503 -16.523 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.456 19.139 -14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.826 19.135 -15.622 1.00 0.00 H new ATOM 1875 N GLU A 121 2.262 16.852 -14.568 1.00 0.00 N ATOM 1876 CA GLU A 121 3.678 16.613 -14.317 1.00 0.00 C ATOM 1877 C GLU A 121 4.014 15.138 -14.518 1.00 0.00 C ATOM 1878 O GLU A 121 5.074 14.799 -15.044 1.00 0.00 O ATOM 1879 CB GLU A 121 4.035 17.031 -12.890 1.00 0.00 C ATOM 1880 CG GLU A 121 3.184 16.237 -11.897 1.00 0.00 C ATOM 1881 CD GLU A 121 3.968 15.033 -11.385 1.00 0.00 C ATOM 1882 OE1 GLU A 121 4.846 14.577 -12.098 1.00 0.00 O ATOM 1883 OE2 GLU A 121 3.678 14.585 -10.288 1.00 0.00 O ATOM 0 H GLU A 121 1.751 17.250 -13.780 1.00 0.00 H new ATOM 0 HA GLU A 121 4.259 17.207 -15.023 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.094 16.853 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.864 18.099 -12.759 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.895 16.875 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.264 15.905 -12.378 1.00 0.00 H new ATOM 1890 N TYR A 122 3.103 14.266 -14.095 1.00 0.00 N ATOM 1891 CA TYR A 122 3.311 12.831 -14.242 1.00 0.00 C ATOM 1892 C TYR A 122 3.367 12.451 -15.719 1.00 0.00 C ATOM 1893 O TYR A 122 4.189 11.629 -16.127 1.00 0.00 O ATOM 1894 CB TYR A 122 2.177 12.064 -13.560 1.00 0.00 C ATOM 1895 CG TYR A 122 2.173 10.634 -14.045 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.201 9.764 -13.663 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.143 10.179 -14.875 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.198 8.437 -14.112 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.139 8.853 -15.323 1.00 0.00 C ATOM 1900 CZ TYR A 122 2.167 7.982 -14.942 1.00 0.00 C ATOM 1901 OH TYR A 122 2.164 6.674 -15.384 1.00 0.00 O ATOM 0 H TYR A 122 2.222 14.526 -13.652 1.00 0.00 H new ATOM 0 HA TYR A 122 4.259 12.569 -13.771 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.304 12.092 -12.478 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.220 12.537 -13.781 1.00 0.00 H new ATOM 0 HD1 TYR A 122 3.996 10.116 -13.022 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.351 10.851 -15.170 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.991 7.765 -13.818 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.343 8.502 -15.963 1.00 0.00 H new ATOM 0 HH TYR A 122 1.378 6.522 -15.950 1.00 0.00 H new ATOM 1911 N ARG A 123 2.492 13.056 -16.514 1.00 0.00 N ATOM 1912 CA ARG A 123 2.452 12.775 -17.945 1.00 0.00 C ATOM 1913 C ARG A 123 3.819 13.023 -18.574 1.00 0.00 C ATOM 1914 O ARG A 123 4.262 12.265 -19.437 1.00 0.00 O ATOM 1915 CB ARG A 123 1.407 13.664 -18.623 1.00 0.00 C ATOM 1916 CG ARG A 123 0.030 13.393 -18.013 1.00 0.00 C ATOM 1917 CD ARG A 123 -0.620 12.208 -18.727 1.00 0.00 C ATOM 1918 NE ARG A 123 -0.831 12.522 -20.135 1.00 0.00 N ATOM 1919 CZ ARG A 123 -1.855 13.274 -20.526 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -2.693 13.744 -19.643 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -2.023 13.540 -21.792 1.00 0.00 N ATOM 0 H ARG A 123 1.805 13.740 -16.196 1.00 0.00 H new ATOM 0 HA ARG A 123 2.183 11.728 -18.085 1.00 0.00 H new ATOM 0 HB2 ARG A 123 1.671 14.714 -18.498 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.387 13.466 -19.695 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.128 13.181 -16.948 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.601 14.277 -18.105 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.014 11.326 -18.635 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.572 11.967 -18.254 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.181 12.158 -20.832 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.562 13.534 -18.653 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -3.479 14.321 -19.942 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.369 13.171 -22.482 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.809 14.117 -22.092 1.00 0.00 H new ATOM 1935 N GLN A 124 4.481 14.087 -18.135 1.00 0.00 N ATOM 1936 CA GLN A 124 5.804 14.418 -18.650 1.00 0.00 C ATOM 1937 C GLN A 124 6.807 13.325 -18.294 1.00 0.00 C ATOM 1938 O GLN A 124 7.694 13.001 -19.083 1.00 0.00 O ATOM 1939 CB GLN A 124 6.273 15.753 -18.067 1.00 0.00 C ATOM 1940 CG GLN A 124 7.524 16.223 -18.812 1.00 0.00 C ATOM 1941 CD GLN A 124 7.156 16.654 -20.227 1.00 0.00 C ATOM 1942 OE1 GLN A 124 6.156 17.345 -20.427 1.00 0.00 O ATOM 1943 NE2 GLN A 124 7.909 16.286 -21.228 1.00 0.00 N ATOM 0 H GLN A 124 4.126 14.731 -17.428 1.00 0.00 H new ATOM 0 HA GLN A 124 5.741 14.498 -19.735 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.483 16.498 -18.155 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.489 15.642 -17.004 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.985 17.054 -18.278 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.260 15.420 -18.847 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.737 15.714 -21.060 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.670 16.571 -22.178 1.00 0.00 H new ATOM 1952 N HIS A 125 6.658 12.760 -17.100 1.00 0.00 N ATOM 1953 CA HIS A 125 7.551 11.698 -16.652 1.00 0.00 C ATOM 1954 C HIS A 125 7.401 10.465 -17.538 1.00 0.00 C ATOM 1955 O HIS A 125 8.253 9.577 -17.532 1.00 0.00 O ATOM 1956 CB HIS A 125 7.236 11.328 -15.202 1.00 0.00 C ATOM 1957 CG HIS A 125 7.915 10.032 -14.857 1.00 0.00 C ATOM 1958 ND1 HIS A 125 9.211 9.982 -14.369 1.00 0.00 N ATOM 1959 CD2 HIS A 125 7.481 8.730 -14.901 1.00 0.00 C ATOM 1960 CE1 HIS A 125 9.509 8.691 -14.138 1.00 0.00 C ATOM 1961 NE2 HIS A 125 8.491 7.885 -14.449 1.00 0.00 N ATOM 0 H HIS A 125 5.933 13.017 -16.430 1.00 0.00 H new ATOM 0 HA HIS A 125 8.578 12.058 -16.719 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.575 12.118 -14.532 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.159 11.234 -15.065 1.00 0.00 H new ATOM 0 HD1 HIS A 125 9.827 10.780 -14.213 1.00 0.00 H new ATOM 0 HD2 HIS A 125 6.505 8.410 -15.235 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.456 8.348 -13.748 1.00 0.00 H new ATOM 1970 N GLN A 126 6.311 10.418 -18.297 1.00 0.00 N ATOM 1971 CA GLN A 126 6.062 9.294 -19.192 1.00 0.00 C ATOM 1972 C GLN A 126 6.675 9.556 -20.563 1.00 0.00 C ATOM 1973 O GLN A 126 7.079 8.626 -21.260 1.00 0.00 O ATOM 1974 CB GLN A 126 4.556 9.068 -19.336 1.00 0.00 C ATOM 1975 CG GLN A 126 3.945 8.792 -17.960 1.00 0.00 C ATOM 1976 CD GLN A 126 2.512 8.295 -18.116 1.00 0.00 C ATOM 1977 OE1 GLN A 126 1.521 9.131 -17.965 1.00 0.00 O flip ATOM 1978 NE2 GLN A 126 2.289 7.115 -18.384 1.00 0.00 N flip ATOM 0 H GLN A 126 5.591 11.140 -18.311 1.00 0.00 H new ATOM 0 HA GLN A 126 6.523 8.403 -18.766 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.088 9.944 -19.784 1.00 0.00 H new ATOM 0 HB3 GLN A 126 4.366 8.228 -20.005 1.00 0.00 H new ATOM 0 HG2 GLN A 126 4.541 8.048 -17.431 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.960 9.700 -17.357 1.00 0.00 H new ATOM 0 HE21 GLN A 126 3.065 6.463 -18.502 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.328 6.789 -18.489 1.00 0.00 H new ATOM 1987 N ALA A 127 6.741 10.828 -20.944 1.00 0.00 N ATOM 1988 CA ALA A 127 7.295 11.199 -22.241 1.00 0.00 C ATOM 1989 C ALA A 127 8.780 10.859 -22.304 1.00 0.00 C ATOM 1990 O ALA A 127 9.258 10.305 -23.294 1.00 0.00 O ATOM 1991 CB ALA A 127 7.102 12.698 -22.481 1.00 0.00 C ATOM 0 H ALA A 127 6.420 11.614 -20.378 1.00 0.00 H new ATOM 0 HA ALA A 127 6.771 10.637 -23.014 1.00 0.00 H new ATOM 0 HB1 ALA A 127 7.518 12.968 -23.452 1.00 0.00 H new ATOM 0 HB2 ALA A 127 6.038 12.935 -22.464 1.00 0.00 H new ATOM 0 HB3 ALA A 127 7.612 13.260 -21.699 1.00 0.00 H new ATOM 1997 N GLU A 128 9.503 11.192 -21.240 1.00 0.00 N ATOM 1998 CA GLU A 128 10.936 10.927 -21.189 1.00 0.00 C ATOM 1999 C GLU A 128 11.208 9.429 -21.290 1.00 0.00 C ATOM 2000 O GLU A 128 12.161 9.004 -21.942 1.00 0.00 O ATOM 2001 CB GLU A 128 11.521 11.466 -19.881 1.00 0.00 C ATOM 2002 CG GLU A 128 10.964 10.662 -18.704 1.00 0.00 C ATOM 2003 CD GLU A 128 11.329 11.342 -17.389 1.00 0.00 C ATOM 2004 OE1 GLU A 128 12.087 12.298 -17.430 1.00 0.00 O ATOM 2005 OE2 GLU A 128 10.845 10.898 -16.361 1.00 0.00 O ATOM 0 H GLU A 128 9.124 11.643 -20.407 1.00 0.00 H new ATOM 0 HA GLU A 128 11.409 11.429 -22.033 1.00 0.00 H new ATOM 0 HB2 GLU A 128 12.609 11.396 -19.901 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.271 12.521 -19.766 1.00 0.00 H new ATOM 0 HG2 GLU A 128 9.881 10.577 -18.791 1.00 0.00 H new ATOM 0 HG3 GLU A 128 11.365 9.649 -18.723 1.00 0.00 H new ATOM 2012 N LYS A 129 10.362 8.635 -20.642 1.00 0.00 N ATOM 2013 CA LYS A 129 10.518 7.185 -20.669 1.00 0.00 C ATOM 2014 C LYS A 129 10.353 6.656 -22.090 1.00 0.00 C ATOM 2015 O LYS A 129 10.989 5.673 -22.474 1.00 0.00 O ATOM 2016 CB LYS A 129 9.480 6.531 -19.755 1.00 0.00 C ATOM 2017 CG LYS A 129 9.828 6.823 -18.294 1.00 0.00 C ATOM 2018 CD LYS A 129 8.704 6.313 -17.390 1.00 0.00 C ATOM 2019 CE LYS A 129 8.520 4.809 -17.600 1.00 0.00 C ATOM 2020 NZ LYS A 129 9.851 4.170 -17.805 1.00 0.00 N ATOM 0 H LYS A 129 9.567 8.967 -20.096 1.00 0.00 H new ATOM 0 HA LYS A 129 11.519 6.939 -20.315 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.485 6.912 -19.986 1.00 0.00 H new ATOM 0 HB3 LYS A 129 9.456 5.455 -19.926 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.769 6.340 -18.030 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.968 7.894 -18.149 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.941 6.518 -16.346 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.776 6.838 -17.615 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.022 4.368 -16.736 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.880 4.627 -18.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.784 3.154 -17.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 10.151 4.301 -18.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 10.548 4.609 -17.171 1.00 0.00 H new ATOM 2034 N ASP A 130 9.496 7.312 -22.865 1.00 0.00 N ATOM 2035 CA ASP A 130 9.256 6.897 -24.243 1.00 0.00 C ATOM 2036 C ASP A 130 10.469 7.203 -25.114 1.00 0.00 C ATOM 2037 O ASP A 130 11.173 8.188 -24.892 1.00 0.00 O ATOM 2038 CB ASP A 130 8.029 7.623 -24.800 1.00 0.00 C ATOM 2039 CG ASP A 130 6.773 7.159 -24.069 1.00 0.00 C ATOM 2040 OD1 ASP A 130 6.858 6.174 -23.354 1.00 0.00 O ATOM 2041 OD2 ASP A 130 5.745 7.794 -24.238 1.00 0.00 O ATOM 0 H ASP A 130 8.960 8.127 -22.566 1.00 0.00 H new ATOM 0 HA ASP A 130 9.078 5.822 -24.253 1.00 0.00 H new ATOM 0 HB2 ASP A 130 8.150 8.700 -24.685 1.00 0.00 H new ATOM 0 HB3 ASP A 130 7.933 7.425 -25.868 1.00 0.00 H new ATOM 2046 N LYS A 131 10.708 6.353 -26.108 1.00 0.00 N ATOM 2047 CA LYS A 131 11.839 6.543 -27.007 1.00 0.00 C ATOM 2048 C LYS A 131 11.434 6.250 -28.449 1.00 0.00 C ATOM 2049 O LYS A 131 10.269 5.962 -28.668 1.00 0.00 O ATOM 2050 CB LYS A 131 12.991 5.621 -26.601 1.00 0.00 C ATOM 2051 CG LYS A 131 13.470 5.990 -25.195 1.00 0.00 C ATOM 2052 CD LYS A 131 14.701 5.156 -24.840 1.00 0.00 C ATOM 2053 CE LYS A 131 15.093 5.417 -23.385 1.00 0.00 C ATOM 2054 NZ LYS A 131 15.460 6.851 -23.218 1.00 0.00 N ATOM 2055 OXT LYS A 131 12.295 6.318 -29.311 1.00 0.00 O ATOM 0 H LYS A 131 10.138 5.532 -26.310 1.00 0.00 H new ATOM 0 HA LYS A 131 12.163 7.581 -26.937 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.664 4.581 -26.624 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.812 5.713 -27.312 1.00 0.00 H new ATOM 0 HG2 LYS A 131 13.711 7.052 -25.149 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.676 5.812 -24.470 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.490 4.097 -24.986 1.00 0.00 H new ATOM 0 HD3 LYS A 131 15.529 5.410 -25.502 1.00 0.00 H new ATOM 0 HE2 LYS A 131 14.265 5.163 -22.723 1.00 0.00 H new ATOM 0 HE3 LYS A 131 15.932 4.781 -23.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 15.977 6.975 -22.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 16.063 7.150 -24.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.597 7.431 -23.202 1.00 0.00 H new TER 2069 LYS A 131