USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1125 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 66 MET CE :methyl -165:sc=-0.00258 (180deg=-0.251) USER MOD Set 1.2: A 80 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-5.4!) USER MOD Set 2.1: A 64 GLN : amide:sc= 1.03 K(o=2.2,f=1.1) USER MOD Set 2.2: A 69 HIS : no HD1:sc= 1.21 K(o=2.2,f=-8.8!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.03 K(o=2,f=-0.27) USER MOD Set 3.2: A 35 ASN : amide:sc= 0.948 K(o=2,f=1.1) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -119:sc= -0.0107 (180deg=-0.149) USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0112) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 144:sc= 1.25 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0.802) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.764 K(o=0.76,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.538 K(o=0.54,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 1.07 K(o=1.1,f=-0.00074) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.207 K(o=-0.21,f=-0.82) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.027) USER MOD Single : A 67 ASN : amide:sc= 0.486 X(o=0.49,f=-0.0014) USER MOD Single : A 70 HIS : no HD1:sc= -0.753! C(o=-0.72!,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -174:sc= -0.0455 (180deg=-0.103) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= 1 (180deg=0.771) USER MOD Single : A 95 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-5.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.0021) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.245 USER MOD Single : A 112 MET CE :methyl 173:sc= -0.0207 (180deg=-0.162) USER MOD Single : A 114 ASN : amide:sc= 0.716 K(o=0.72,f=-0.82) USER MOD Single : A 117 MET CE :methyl -165:sc= -0.0146 (180deg=-0.328) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 HIS : no HE2:sc= 0.755 K(o=0.76,f=-4!) USER MOD Single : A 125 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0135) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0673 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.211 -17.831 0.531 1.00 22.40 N ATOM 2 CA SER A 1 10.783 -16.391 0.313 1.00 71.44 C ATOM 3 C SER A 1 10.707 -15.534 1.565 1.00 43.41 C ATOM 4 O SER A 1 11.129 -14.379 1.568 1.00 0.32 O ATOM 5 CB SER A 1 9.393 -16.324 -0.393 1.00 24.42 C ATOM 6 OG SER A 1 9.446 -16.838 -1.725 1.00 42.00 O ATOM 0 H1 SER A 1 11.231 -18.329 -0.382 1.00 22.40 H new ATOM 0 H2 SER A 1 12.159 -17.851 0.957 1.00 22.40 H new ATOM 0 H3 SER A 1 10.536 -18.301 1.167 1.00 22.40 H new ATOM 0 HA SER A 1 11.578 -15.979 -0.309 1.00 71.44 H new ATOM 0 HB2 SER A 1 8.664 -16.891 0.186 1.00 24.42 H new ATOM 0 HB3 SER A 1 9.047 -15.291 -0.416 1.00 24.42 H new ATOM 0 HG SER A 1 8.557 -16.781 -2.133 1.00 42.00 H new ATOM 14 N LYS A 2 10.166 -16.076 2.682 1.00 32.13 N ATOM 15 CA LYS A 2 9.838 -15.332 3.887 1.00 63.10 C ATOM 16 C LYS A 2 11.053 -14.707 4.550 1.00 32.44 C ATOM 17 O LYS A 2 11.011 -13.555 4.974 1.00 71.24 O ATOM 18 CB LYS A 2 9.103 -16.209 4.940 1.00 13.20 C ATOM 19 CG LYS A 2 7.643 -16.584 4.601 1.00 71.33 C ATOM 20 CD LYS A 2 7.467 -17.703 3.559 1.00 42.32 C ATOM 21 CE LYS A 2 6.016 -18.170 3.440 1.00 32.14 C ATOM 22 NZ LYS A 2 5.923 -19.269 2.459 1.00 65.31 N ATOM 0 H LYS A 2 9.946 -17.069 2.756 1.00 32.13 H new ATOM 0 HA LYS A 2 9.176 -14.536 3.546 1.00 63.10 H new ATOM 0 HB2 LYS A 2 9.671 -17.129 5.080 1.00 13.20 H new ATOM 0 HB3 LYS A 2 9.111 -15.681 5.894 1.00 13.20 H new ATOM 0 HG2 LYS A 2 7.142 -16.887 5.520 1.00 71.33 H new ATOM 0 HG3 LYS A 2 7.133 -15.692 4.239 1.00 71.33 H new ATOM 0 HD2 LYS A 2 7.812 -17.348 2.588 1.00 42.32 H new ATOM 0 HD3 LYS A 2 8.097 -18.550 3.831 1.00 42.32 H new ATOM 0 HE2 LYS A 2 5.652 -18.505 4.411 1.00 32.14 H new ATOM 0 HE3 LYS A 2 5.381 -17.340 3.131 1.00 32.14 H new ATOM 0 HZ1 LYS A 2 4.934 -19.583 2.382 1.00 65.31 H new ATOM 0 HZ2 LYS A 2 6.254 -18.935 1.531 1.00 65.31 H new ATOM 0 HZ3 LYS A 2 6.515 -20.065 2.772 1.00 65.31 H new ATOM 36 N GLU A 3 12.178 -15.455 4.624 1.00 63.30 N ATOM 37 CA GLU A 3 13.431 -14.997 5.202 1.00 2.11 C ATOM 38 C GLU A 3 14.330 -14.259 4.240 1.00 33.45 C ATOM 39 O GLU A 3 15.455 -13.884 4.559 1.00 12.31 O ATOM 40 CB GLU A 3 14.207 -16.165 5.876 1.00 31.14 C ATOM 41 CG GLU A 3 14.740 -17.253 4.906 1.00 41.40 C ATOM 42 CD GLU A 3 15.448 -18.386 5.655 1.00 43.41 C ATOM 43 OE1 GLU A 3 16.670 -18.570 5.424 1.00 62.22 O ATOM 44 OE2 GLU A 3 14.760 -19.081 6.445 1.00 33.31 O ATOM 0 H GLU A 3 12.225 -16.411 4.272 1.00 63.30 H new ATOM 0 HA GLU A 3 13.138 -14.270 5.960 1.00 2.11 H new ATOM 0 HB2 GLU A 3 15.050 -15.749 6.428 1.00 31.14 H new ATOM 0 HB3 GLU A 3 13.552 -16.641 6.606 1.00 31.14 H new ATOM 0 HG2 GLU A 3 13.911 -17.662 4.328 1.00 41.40 H new ATOM 0 HG3 GLU A 3 15.431 -16.799 4.196 1.00 41.40 H new ATOM 51 N VAL A 4 13.822 -14.063 3.021 1.00 11.43 N ATOM 52 CA VAL A 4 14.539 -13.418 1.925 1.00 53.04 C ATOM 53 C VAL A 4 14.035 -12.001 1.793 1.00 72.11 C ATOM 54 O VAL A 4 14.803 -11.048 1.674 1.00 61.41 O ATOM 55 CB VAL A 4 14.300 -14.052 0.556 1.00 31.32 C ATOM 56 CG1 VAL A 4 15.103 -13.341 -0.560 1.00 62.03 C ATOM 57 CG2 VAL A 4 14.583 -15.555 0.571 1.00 53.21 C ATOM 0 H VAL A 4 12.879 -14.356 2.766 1.00 11.43 H new ATOM 0 HA VAL A 4 15.596 -13.506 2.176 1.00 53.04 H new ATOM 0 HB VAL A 4 13.242 -13.919 0.329 1.00 31.32 H new ATOM 0 HG11 VAL A 4 14.903 -13.824 -1.516 1.00 62.03 H new ATOM 0 HG12 VAL A 4 14.804 -12.294 -0.613 1.00 62.03 H new ATOM 0 HG13 VAL A 4 16.168 -13.403 -0.338 1.00 62.03 H new ATOM 0 HG21 VAL A 4 14.401 -15.969 -0.421 1.00 53.21 H new ATOM 0 HG22 VAL A 4 15.622 -15.727 0.851 1.00 53.21 H new ATOM 0 HG23 VAL A 4 13.927 -16.042 1.293 1.00 53.21 H new ATOM 67 N MET A 5 12.688 -11.869 1.741 1.00 71.23 N ATOM 68 CA MET A 5 12.005 -10.778 1.098 1.00 50.14 C ATOM 69 C MET A 5 12.196 -9.432 1.770 1.00 74.30 C ATOM 70 O MET A 5 12.195 -8.389 1.118 1.00 64.40 O ATOM 71 CB MET A 5 10.488 -11.096 0.955 1.00 3.05 C ATOM 72 CG MET A 5 9.707 -11.253 2.281 1.00 74.35 C ATOM 73 SD MET A 5 7.959 -11.715 2.079 1.00 42.15 S ATOM 74 CE MET A 5 7.369 -10.086 1.533 1.00 1.10 C ATOM 0 H MET A 5 12.053 -12.547 2.162 1.00 71.23 H new ATOM 0 HA MET A 5 12.466 -10.686 0.115 1.00 50.14 H new ATOM 0 HB2 MET A 5 10.022 -10.301 0.373 1.00 3.05 H new ATOM 0 HB3 MET A 5 10.381 -12.016 0.381 1.00 3.05 H new ATOM 0 HG2 MET A 5 10.201 -12.009 2.891 1.00 74.35 H new ATOM 0 HG3 MET A 5 9.760 -10.314 2.832 1.00 74.35 H new ATOM 0 HE1 MET A 5 6.629 -9.711 2.240 1.00 1.10 H new ATOM 0 HE2 MET A 5 8.208 -9.392 1.485 1.00 1.10 H new ATOM 0 HE3 MET A 5 6.915 -10.175 0.546 1.00 1.10 H new ATOM 84 N LYS A 6 12.354 -9.442 3.108 1.00 44.01 N ATOM 85 CA LYS A 6 12.536 -8.266 3.910 1.00 42.33 C ATOM 86 C LYS A 6 13.462 -8.681 5.035 1.00 43.31 C ATOM 87 O LYS A 6 13.519 -9.859 5.381 1.00 70.04 O ATOM 88 CB LYS A 6 11.177 -7.729 4.441 1.00 54.31 C ATOM 89 CG LYS A 6 11.222 -6.419 5.253 1.00 43.54 C ATOM 90 CD LYS A 6 11.708 -5.199 4.447 1.00 1.23 C ATOM 91 CE LYS A 6 11.838 -3.911 5.268 1.00 55.03 C ATOM 92 NZ LYS A 6 10.512 -3.456 5.727 1.00 43.45 N ATOM 0 H LYS A 6 12.355 -10.303 3.654 1.00 44.01 H new ATOM 0 HA LYS A 6 12.964 -7.445 3.334 1.00 42.33 H new ATOM 0 HB2 LYS A 6 10.514 -7.579 3.589 1.00 54.31 H new ATOM 0 HB3 LYS A 6 10.726 -8.501 5.064 1.00 54.31 H new ATOM 0 HG2 LYS A 6 10.226 -6.211 5.643 1.00 43.54 H new ATOM 0 HG3 LYS A 6 11.878 -6.559 6.112 1.00 43.54 H new ATOM 0 HD2 LYS A 6 12.676 -5.433 4.004 1.00 1.23 H new ATOM 0 HD3 LYS A 6 11.016 -5.023 3.624 1.00 1.23 H new ATOM 0 HE2 LYS A 6 12.487 -4.084 6.126 1.00 55.03 H new ATOM 0 HE3 LYS A 6 12.307 -3.134 4.665 1.00 55.03 H new ATOM 0 HZ1 LYS A 6 10.612 -2.556 6.238 1.00 43.45 H new ATOM 0 HZ2 LYS A 6 9.888 -3.321 4.906 1.00 43.45 H new ATOM 0 HZ3 LYS A 6 10.100 -4.170 6.361 1.00 43.45 H new ATOM 106 N GLN A 7 14.249 -7.735 5.605 1.00 22.33 N ATOM 107 CA GLN A 7 15.249 -8.004 6.627 1.00 23.25 C ATOM 108 C GLN A 7 14.685 -8.594 7.917 1.00 34.01 C ATOM 109 O GLN A 7 15.312 -9.449 8.538 1.00 3.22 O ATOM 110 CB GLN A 7 16.073 -6.717 6.926 1.00 3.04 C ATOM 111 CG GLN A 7 15.278 -5.524 7.512 1.00 50.35 C ATOM 112 CD GLN A 7 16.192 -4.307 7.700 1.00 3.22 C ATOM 113 OE1 GLN A 7 17.146 -4.343 8.479 1.00 41.14 O ATOM 114 NE2 GLN A 7 15.894 -3.196 6.975 1.00 53.13 N ATOM 0 H GLN A 7 14.192 -6.749 5.351 1.00 22.33 H new ATOM 0 HA GLN A 7 15.900 -8.775 6.214 1.00 23.25 H new ATOM 0 HB2 GLN A 7 16.871 -6.974 7.623 1.00 3.04 H new ATOM 0 HB3 GLN A 7 16.550 -6.391 6.001 1.00 3.04 H new ATOM 0 HG2 GLN A 7 14.454 -5.267 6.847 1.00 50.35 H new ATOM 0 HG3 GLN A 7 14.839 -5.807 8.469 1.00 50.35 H new ATOM 0 HE21 GLN A 7 15.097 -3.201 6.339 1.00 53.13 H new ATOM 0 HE22 GLN A 7 16.468 -2.358 7.067 1.00 53.13 H new ATOM 123 N MET A 8 13.466 -8.180 8.327 1.00 4.33 N ATOM 124 CA MET A 8 12.674 -8.896 9.301 1.00 33.23 C ATOM 125 C MET A 8 11.276 -8.979 8.725 1.00 50.22 C ATOM 126 O MET A 8 10.749 -7.979 8.239 1.00 5.10 O ATOM 127 CB MET A 8 12.659 -8.178 10.676 1.00 44.02 C ATOM 128 CG MET A 8 11.855 -8.903 11.776 1.00 55.44 C ATOM 129 SD MET A 8 12.480 -10.562 12.182 1.00 23.54 S ATOM 130 CE MET A 8 11.058 -11.018 13.215 1.00 32.43 C ATOM 0 H MET A 8 13.018 -7.333 7.978 1.00 4.33 H new ATOM 0 HA MET A 8 13.095 -9.884 9.485 1.00 33.23 H new ATOM 0 HB2 MET A 8 13.687 -8.056 11.018 1.00 44.02 H new ATOM 0 HB3 MET A 8 12.246 -7.178 10.543 1.00 44.02 H new ATOM 0 HG2 MET A 8 11.863 -8.292 12.679 1.00 55.44 H new ATOM 0 HG3 MET A 8 10.816 -8.986 11.457 1.00 55.44 H new ATOM 0 HE1 MET A 8 11.198 -12.028 13.601 1.00 32.43 H new ATOM 0 HE2 MET A 8 10.974 -10.319 14.047 1.00 32.43 H new ATOM 0 HE3 MET A 8 10.147 -10.981 12.617 1.00 32.43 H new ATOM 140 N THR A 9 10.645 -10.175 8.754 1.00 24.15 N ATOM 141 CA THR A 9 9.317 -10.388 8.185 1.00 74.22 C ATOM 142 C THR A 9 8.394 -10.739 9.325 1.00 63.13 C ATOM 143 O THR A 9 8.641 -11.694 10.058 1.00 44.32 O ATOM 144 CB THR A 9 9.279 -11.496 7.137 1.00 11.21 C ATOM 145 OG1 THR A 9 10.150 -11.184 6.058 1.00 73.24 O ATOM 146 CG2 THR A 9 7.874 -11.692 6.535 1.00 4.33 C ATOM 0 H THR A 9 11.051 -11.011 9.174 1.00 24.15 H new ATOM 0 HA THR A 9 9.012 -9.477 7.671 1.00 74.22 H new ATOM 0 HB THR A 9 9.584 -12.407 7.652 1.00 11.21 H new ATOM 0 HG1 THR A 9 10.575 -12.005 5.733 1.00 73.24 H new ATOM 0 HG21 THR A 9 7.903 -12.492 5.795 1.00 4.33 H new ATOM 0 HG22 THR A 9 7.172 -11.955 7.327 1.00 4.33 H new ATOM 0 HG23 THR A 9 7.551 -10.767 6.057 1.00 4.33 H new ATOM 154 N ILE A 10 7.306 -9.957 9.516 1.00 63.42 N ATOM 155 CA ILE A 10 6.364 -10.146 10.609 1.00 1.55 C ATOM 156 C ILE A 10 4.978 -10.318 10.005 1.00 55.23 C ATOM 157 O ILE A 10 4.509 -9.463 9.258 1.00 12.30 O ATOM 158 CB ILE A 10 6.399 -8.979 11.604 1.00 41.13 C ATOM 159 CG1 ILE A 10 7.808 -8.826 12.239 1.00 51.44 C ATOM 160 CG2 ILE A 10 5.317 -9.135 12.697 1.00 23.31 C ATOM 161 CD1 ILE A 10 7.985 -7.563 13.091 1.00 3.31 C ATOM 0 H ILE A 10 7.069 -9.176 8.904 1.00 63.42 H new ATOM 0 HA ILE A 10 6.639 -11.034 11.179 1.00 1.55 H new ATOM 0 HB ILE A 10 6.179 -8.069 11.047 1.00 41.13 H new ATOM 0 HG12 ILE A 10 8.010 -9.699 12.859 1.00 51.44 H new ATOM 0 HG13 ILE A 10 8.553 -8.820 11.443 1.00 51.44 H new ATOM 0 HG21 ILE A 10 5.370 -8.291 13.385 1.00 23.31 H new ATOM 0 HG22 ILE A 10 4.332 -9.163 12.232 1.00 23.31 H new ATOM 0 HG23 ILE A 10 5.485 -10.062 13.246 1.00 23.31 H new ATOM 0 HD11 ILE A 10 8.997 -7.536 13.496 1.00 3.31 H new ATOM 0 HD12 ILE A 10 7.818 -6.681 12.473 1.00 3.31 H new ATOM 0 HD13 ILE A 10 7.267 -7.573 13.911 1.00 3.31 H new ATOM 173 N ASN A 11 4.280 -11.441 10.313 1.00 45.04 N ATOM 174 CA ASN A 11 2.922 -11.737 9.862 1.00 12.24 C ATOM 175 C ASN A 11 1.872 -10.787 10.429 1.00 72.31 C ATOM 176 O ASN A 11 0.920 -10.406 9.752 1.00 30.44 O ATOM 177 CB ASN A 11 2.509 -13.183 10.238 1.00 41.21 C ATOM 178 CG ASN A 11 3.334 -14.191 9.440 1.00 60.22 C ATOM 179 OD1 ASN A 11 4.253 -14.803 9.988 1.00 60.14 O ATOM 180 ND2 ASN A 11 3.000 -14.376 8.137 1.00 2.34 N ATOM 0 H ASN A 11 4.670 -12.178 10.900 1.00 45.04 H new ATOM 0 HA ASN A 11 2.952 -11.611 8.780 1.00 12.24 H new ATOM 0 HB2 ASN A 11 2.657 -13.345 11.306 1.00 41.21 H new ATOM 0 HB3 ASN A 11 1.448 -13.330 10.037 1.00 41.21 H new ATOM 0 HD21 ASN A 11 3.518 -15.045 7.568 1.00 2.34 H new ATOM 0 HD22 ASN A 11 2.231 -13.846 7.727 1.00 2.34 H new ATOM 187 N PHE A 12 2.042 -10.394 11.711 1.00 55.11 N ATOM 188 CA PHE A 12 1.091 -9.692 12.558 1.00 1.40 C ATOM 189 C PHE A 12 0.658 -8.349 11.971 1.00 21.44 C ATOM 190 O PHE A 12 -0.497 -7.964 12.099 1.00 70.30 O ATOM 191 CB PHE A 12 1.716 -9.530 13.977 1.00 15.15 C ATOM 192 CG PHE A 12 0.784 -8.911 14.989 1.00 42.05 C ATOM 193 CD1 PHE A 12 -0.196 -9.702 15.612 1.00 1.51 C ATOM 194 CD2 PHE A 12 0.893 -7.556 15.346 1.00 22.43 C ATOM 195 CE1 PHE A 12 -1.050 -9.152 16.576 1.00 14.52 C ATOM 196 CE2 PHE A 12 0.041 -7.003 16.311 1.00 15.12 C ATOM 197 CZ PHE A 12 -0.931 -7.801 16.926 1.00 62.54 C ATOM 0 H PHE A 12 2.916 -10.580 12.203 1.00 55.11 H new ATOM 0 HA PHE A 12 0.178 -10.284 12.625 1.00 1.40 H new ATOM 0 HB2 PHE A 12 2.030 -10.509 14.339 1.00 15.15 H new ATOM 0 HB3 PHE A 12 2.613 -8.915 13.900 1.00 15.15 H new ATOM 0 HD1 PHE A 12 -0.292 -10.744 15.345 1.00 1.51 H new ATOM 0 HD2 PHE A 12 1.640 -6.936 14.873 1.00 22.43 H new ATOM 0 HE1 PHE A 12 -1.800 -9.769 17.049 1.00 14.52 H new ATOM 0 HE2 PHE A 12 0.134 -5.961 16.580 1.00 15.12 H new ATOM 0 HZ PHE A 12 -1.588 -7.375 17.670 1.00 62.54 H new ATOM 207 N ALA A 13 1.590 -7.604 11.339 1.00 41.51 N ATOM 208 CA ALA A 13 1.388 -6.309 10.714 1.00 41.34 C ATOM 209 C ALA A 13 0.528 -6.247 9.464 1.00 55.21 C ATOM 210 O ALA A 13 0.047 -5.171 9.107 1.00 61.12 O ATOM 211 CB ALA A 13 2.744 -5.726 10.334 1.00 2.41 C ATOM 0 H ALA A 13 2.555 -7.922 11.255 1.00 41.51 H new ATOM 0 HA ALA A 13 0.840 -5.754 11.475 1.00 41.34 H new ATOM 0 HB1 ALA A 13 2.603 -4.753 9.864 1.00 2.41 H new ATOM 0 HB2 ALA A 13 3.354 -5.611 11.230 1.00 2.41 H new ATOM 0 HB3 ALA A 13 3.246 -6.397 9.637 1.00 2.41 H new ATOM 217 N LYS A 14 0.314 -7.371 8.747 1.00 61.32 N ATOM 218 CA LYS A 14 -0.439 -7.377 7.497 1.00 43.43 C ATOM 219 C LYS A 14 -1.860 -6.821 7.577 1.00 62.54 C ATOM 220 O LYS A 14 -2.175 -6.009 6.702 1.00 74.33 O ATOM 221 CB LYS A 14 -0.474 -8.790 6.842 1.00 55.54 C ATOM 222 CG LYS A 14 0.766 -9.159 5.995 1.00 74.41 C ATOM 223 CD LYS A 14 2.135 -9.061 6.682 1.00 62.34 C ATOM 224 CE LYS A 14 3.269 -9.590 5.804 1.00 24.51 C ATOM 225 NZ LYS A 14 4.562 -9.238 6.417 1.00 25.13 N ATOM 0 H LYS A 14 0.660 -8.289 9.025 1.00 61.32 H new ATOM 0 HA LYS A 14 0.122 -6.684 6.869 1.00 43.43 H new ATOM 0 HB2 LYS A 14 -0.589 -9.534 7.630 1.00 55.54 H new ATOM 0 HB3 LYS A 14 -1.359 -8.856 6.209 1.00 55.54 H new ATOM 0 HG2 LYS A 14 0.639 -10.181 5.637 1.00 74.41 H new ATOM 0 HG3 LYS A 14 0.781 -8.513 5.117 1.00 74.41 H new ATOM 0 HD2 LYS A 14 2.335 -8.021 6.941 1.00 62.34 H new ATOM 0 HD3 LYS A 14 2.110 -9.623 7.616 1.00 62.34 H new ATOM 0 HE2 LYS A 14 3.187 -10.672 5.696 1.00 24.51 H new ATOM 0 HE3 LYS A 14 3.199 -9.163 4.803 1.00 24.51 H new ATOM 0 HZ1 LYS A 14 5.303 -9.869 6.051 1.00 25.13 H new ATOM 0 HZ2 LYS A 14 4.800 -8.253 6.184 1.00 25.13 H new ATOM 0 HZ3 LYS A 14 4.497 -9.343 7.450 1.00 25.13 H new ATOM 239 N PRO A 15 -2.755 -7.103 8.527 1.00 74.04 N ATOM 240 CA PRO A 15 -3.999 -6.362 8.639 1.00 70.41 C ATOM 241 C PRO A 15 -3.826 -4.905 9.044 1.00 74.11 C ATOM 242 O PRO A 15 -4.670 -4.103 8.655 1.00 64.41 O ATOM 243 CB PRO A 15 -4.810 -7.152 9.672 1.00 32.53 C ATOM 244 CG PRO A 15 -3.780 -7.880 10.535 1.00 52.31 C ATOM 245 CD PRO A 15 -2.591 -8.087 9.597 1.00 5.44 C ATOM 0 HA PRO A 15 -4.494 -6.285 7.671 1.00 70.41 H new ATOM 0 HB2 PRO A 15 -5.428 -6.488 10.276 1.00 32.53 H new ATOM 0 HB3 PRO A 15 -5.483 -7.858 9.185 1.00 32.53 H new ATOM 0 HG2 PRO A 15 -3.502 -7.289 11.408 1.00 52.31 H new ATOM 0 HG3 PRO A 15 -4.168 -8.830 10.903 1.00 52.31 H new ATOM 0 HD2 PRO A 15 -1.647 -7.940 10.123 1.00 5.44 H new ATOM 0 HD3 PRO A 15 -2.579 -9.101 9.198 1.00 5.44 H new ATOM 253 N MET A 16 -2.768 -4.498 9.790 1.00 64.21 N ATOM 254 CA MET A 16 -2.575 -3.100 10.137 1.00 1.01 C ATOM 255 C MET A 16 -2.254 -2.220 8.938 1.00 40.34 C ATOM 256 O MET A 16 -2.802 -1.129 8.799 1.00 51.13 O ATOM 257 CB MET A 16 -1.483 -2.899 11.221 1.00 44.05 C ATOM 258 CG MET A 16 -1.878 -3.366 12.639 1.00 0.22 C ATOM 259 SD MET A 16 -1.853 -5.157 12.929 1.00 42.30 S ATOM 260 CE MET A 16 -2.439 -5.046 14.643 1.00 52.41 C ATOM 0 H MET A 16 -2.050 -5.126 10.152 1.00 64.21 H new ATOM 0 HA MET A 16 -3.538 -2.787 10.541 1.00 1.01 H new ATOM 0 HB2 MET A 16 -0.585 -3.436 10.915 1.00 44.05 H new ATOM 0 HB3 MET A 16 -1.223 -1.841 11.262 1.00 44.05 H new ATOM 0 HG2 MET A 16 -1.205 -2.894 13.355 1.00 0.22 H new ATOM 0 HG3 MET A 16 -2.881 -2.998 12.854 1.00 0.22 H new ATOM 0 HE1 MET A 16 -2.514 -6.047 15.068 1.00 52.41 H new ATOM 0 HE2 MET A 16 -1.737 -4.454 15.230 1.00 52.41 H new ATOM 0 HE3 MET A 16 -3.419 -4.570 14.662 1.00 52.41 H new ATOM 270 N GLU A 17 -1.373 -2.685 8.018 1.00 61.24 N ATOM 271 CA GLU A 17 -1.054 -1.956 6.801 1.00 54.32 C ATOM 272 C GLU A 17 -2.201 -1.970 5.807 1.00 44.42 C ATOM 273 O GLU A 17 -2.425 -1.008 5.071 1.00 41.14 O ATOM 274 CB GLU A 17 0.257 -2.466 6.136 1.00 54.04 C ATOM 275 CG GLU A 17 0.243 -3.927 5.625 1.00 41.20 C ATOM 276 CD GLU A 17 1.587 -4.342 5.022 1.00 24.32 C ATOM 277 OE1 GLU A 17 1.613 -4.638 3.800 1.00 23.41 O ATOM 278 OE2 GLU A 17 2.588 -4.377 5.784 1.00 50.51 O ATOM 0 H GLU A 17 -0.876 -3.571 8.113 1.00 61.24 H new ATOM 0 HA GLU A 17 -0.891 -0.922 7.104 1.00 54.32 H new ATOM 0 HB2 GLU A 17 0.492 -1.812 5.296 1.00 54.04 H new ATOM 0 HB3 GLU A 17 1.069 -2.363 6.856 1.00 54.04 H new ATOM 0 HG2 GLU A 17 -0.005 -4.596 6.449 1.00 41.20 H new ATOM 0 HG3 GLU A 17 -0.540 -4.040 4.875 1.00 41.20 H new ATOM 285 N ALA A 18 -2.999 -3.062 5.791 1.00 20.21 N ATOM 286 CA ALA A 18 -4.224 -3.147 5.027 1.00 21.33 C ATOM 287 C ALA A 18 -5.261 -2.123 5.465 1.00 33.13 C ATOM 288 O ALA A 18 -5.819 -1.404 4.644 1.00 50.42 O ATOM 289 CB ALA A 18 -4.821 -4.556 5.148 1.00 65.42 C ATOM 0 H ALA A 18 -2.791 -3.908 6.321 1.00 20.21 H new ATOM 0 HA ALA A 18 -3.965 -2.931 3.990 1.00 21.33 H new ATOM 0 HB1 ALA A 18 -5.743 -4.611 4.570 1.00 65.42 H new ATOM 0 HB2 ALA A 18 -4.109 -5.287 4.766 1.00 65.42 H new ATOM 0 HB3 ALA A 18 -5.036 -4.772 6.195 1.00 65.42 H new ATOM 295 N CYS A 19 -5.473 -1.964 6.785 1.00 32.12 N ATOM 296 CA CYS A 19 -6.394 -1.003 7.370 1.00 12.11 C ATOM 297 C CYS A 19 -5.892 0.432 7.323 1.00 50.33 C ATOM 298 O CYS A 19 -6.566 1.345 7.785 1.00 23.25 O ATOM 299 CB CYS A 19 -6.686 -1.372 8.835 1.00 44.01 C ATOM 300 SG CYS A 19 -7.581 -2.950 8.937 1.00 33.03 S ATOM 0 H CYS A 19 -4.987 -2.524 7.486 1.00 32.12 H new ATOM 0 HA CYS A 19 -7.298 -1.053 6.764 1.00 12.11 H new ATOM 0 HB2 CYS A 19 -5.751 -1.443 9.390 1.00 44.01 H new ATOM 0 HB3 CYS A 19 -7.276 -0.583 9.303 1.00 44.01 H new ATOM 305 N LYS A 20 -4.688 0.700 6.785 1.00 34.42 N ATOM 306 CA LYS A 20 -4.330 2.058 6.419 1.00 52.44 C ATOM 307 C LYS A 20 -4.809 2.364 4.998 1.00 4.41 C ATOM 308 O LYS A 20 -5.477 3.366 4.740 1.00 4.41 O ATOM 309 CB LYS A 20 -2.797 2.214 6.588 1.00 22.40 C ATOM 310 CG LYS A 20 -2.220 3.637 6.448 1.00 52.31 C ATOM 311 CD LYS A 20 -1.916 4.132 5.026 1.00 71.51 C ATOM 312 CE LYS A 20 -0.620 3.578 4.439 1.00 32.24 C ATOM 313 NZ LYS A 20 -0.430 4.101 3.071 1.00 34.32 N ATOM 0 H LYS A 20 -3.968 0.001 6.602 1.00 34.42 H new ATOM 0 HA LYS A 20 -4.821 2.784 7.067 1.00 52.44 H new ATOM 0 HB2 LYS A 20 -2.524 1.833 7.572 1.00 22.40 H new ATOM 0 HB3 LYS A 20 -2.308 1.576 5.852 1.00 22.40 H new ATOM 0 HG2 LYS A 20 -2.923 4.333 6.906 1.00 52.31 H new ATOM 0 HG3 LYS A 20 -1.298 3.687 7.028 1.00 52.31 H new ATOM 0 HD2 LYS A 20 -2.745 3.859 4.373 1.00 71.51 H new ATOM 0 HD3 LYS A 20 -1.862 5.221 5.035 1.00 71.51 H new ATOM 0 HE2 LYS A 20 0.225 3.860 5.067 1.00 32.24 H new ATOM 0 HE3 LYS A 20 -0.654 2.489 4.421 1.00 32.24 H new ATOM 0 HZ1 LYS A 20 0.453 3.722 2.674 1.00 34.32 H new ATOM 0 HZ2 LYS A 20 -1.231 3.811 2.474 1.00 34.32 H new ATOM 0 HZ3 LYS A 20 -0.379 5.139 3.100 1.00 34.32 H new ATOM 327 N GLN A 21 -4.516 1.471 4.025 1.00 3.34 N ATOM 328 CA GLN A 21 -4.796 1.716 2.615 1.00 2.11 C ATOM 329 C GLN A 21 -6.241 1.486 2.216 1.00 33.21 C ATOM 330 O GLN A 21 -6.806 2.251 1.440 1.00 2.02 O ATOM 331 CB GLN A 21 -3.880 0.860 1.715 1.00 71.11 C ATOM 332 CG GLN A 21 -4.165 -0.649 1.804 1.00 51.43 C ATOM 333 CD GLN A 21 -3.016 -1.507 1.305 1.00 2.53 C ATOM 334 OE1 GLN A 21 -2.914 -1.896 0.142 1.00 12.25 O ATOM 335 NE2 GLN A 21 -2.156 -1.883 2.286 1.00 61.13 N ATOM 0 H GLN A 21 -4.080 0.567 4.207 1.00 3.34 H new ATOM 0 HA GLN A 21 -4.593 2.777 2.469 1.00 2.11 H new ATOM 0 HB2 GLN A 21 -3.997 1.183 0.680 1.00 71.11 H new ATOM 0 HB3 GLN A 21 -2.841 1.042 1.990 1.00 71.11 H new ATOM 0 HG2 GLN A 21 -4.382 -0.910 2.840 1.00 51.43 H new ATOM 0 HG3 GLN A 21 -5.059 -0.878 1.224 1.00 51.43 H new ATOM 0 HE21 GLN A 21 -2.282 -1.534 3.236 1.00 61.13 H new ATOM 0 HE22 GLN A 21 -1.384 -2.515 2.073 1.00 61.13 H new ATOM 344 N GLU A 22 -6.880 0.444 2.799 1.00 32.13 N ATOM 345 CA GLU A 22 -8.247 -0.023 2.569 1.00 24.25 C ATOM 346 C GLU A 22 -9.224 1.060 2.888 1.00 22.11 C ATOM 347 O GLU A 22 -10.243 1.249 2.230 1.00 43.33 O ATOM 348 CB GLU A 22 -8.567 -1.271 3.408 1.00 35.43 C ATOM 349 CG GLU A 22 -9.949 -1.898 3.108 1.00 41.32 C ATOM 350 CD GLU A 22 -10.093 -2.450 1.686 1.00 20.21 C ATOM 351 OE1 GLU A 22 -11.055 -2.043 0.987 1.00 45.02 O ATOM 352 OE2 GLU A 22 -9.251 -3.305 1.305 1.00 73.33 O ATOM 0 H GLU A 22 -6.406 -0.130 3.496 1.00 32.13 H new ATOM 0 HA GLU A 22 -8.330 -0.291 1.516 1.00 24.25 H new ATOM 0 HB2 GLU A 22 -7.795 -2.020 3.234 1.00 35.43 H new ATOM 0 HB3 GLU A 22 -8.522 -1.006 4.464 1.00 35.43 H new ATOM 0 HG2 GLU A 22 -10.132 -2.704 3.819 1.00 41.32 H new ATOM 0 HG3 GLU A 22 -10.720 -1.146 3.274 1.00 41.32 H new ATOM 359 N LEU A 23 -8.892 1.798 3.950 1.00 51.34 N ATOM 360 CA LEU A 23 -9.756 2.800 4.507 1.00 15.23 C ATOM 361 C LEU A 23 -9.480 4.131 3.830 1.00 20.43 C ATOM 362 O LEU A 23 -10.197 5.103 4.057 1.00 72.54 O ATOM 363 CB LEU A 23 -9.476 2.962 6.003 1.00 34.12 C ATOM 364 CG LEU A 23 -9.551 1.663 6.824 1.00 11.32 C ATOM 365 CD1 LEU A 23 -9.699 1.974 8.314 1.00 50.31 C ATOM 366 CD2 LEU A 23 -10.473 0.537 6.361 1.00 4.42 C ATOM 0 H LEU A 23 -8.003 1.703 4.441 1.00 51.34 H new ATOM 0 HA LEU A 23 -10.791 2.495 4.353 1.00 15.23 H new ATOM 0 HB2 LEU A 23 -8.483 3.395 6.126 1.00 34.12 H new ATOM 0 HB3 LEU A 23 -10.189 3.676 6.415 1.00 34.12 H new ATOM 0 HG LEU A 23 -8.584 1.203 6.620 1.00 11.32 H new ATOM 0 HD11 LEU A 23 -9.750 1.042 8.877 1.00 50.31 H new ATOM 0 HD12 LEU A 23 -8.841 2.555 8.651 1.00 50.31 H new ATOM 0 HD13 LEU A 23 -10.612 2.547 8.477 1.00 50.31 H new ATOM 0 HD21 LEU A 23 -10.401 -0.301 7.055 1.00 4.42 H new ATOM 0 HD22 LEU A 23 -11.501 0.897 6.332 1.00 4.42 H new ATOM 0 HD23 LEU A 23 -10.175 0.209 5.365 1.00 4.42 H new ATOM 378 N ASN A 24 -8.411 4.181 2.989 1.00 1.14 N ATOM 379 CA ASN A 24 -7.868 5.341 2.321 1.00 5.23 C ATOM 380 C ASN A 24 -7.474 6.468 3.277 1.00 34.43 C ATOM 381 O ASN A 24 -7.765 7.640 3.043 1.00 73.43 O ATOM 382 CB ASN A 24 -8.862 5.857 1.255 1.00 2.32 C ATOM 383 CG ASN A 24 -9.171 4.958 0.049 1.00 52.14 C ATOM 384 OD1 ASN A 24 -10.140 5.236 -0.663 1.00 30.31 O ATOM 385 ND2 ASN A 24 -8.376 3.896 -0.225 1.00 23.23 N ATOM 0 H ASN A 24 -7.886 3.337 2.760 1.00 1.14 H new ATOM 0 HA ASN A 24 -6.946 5.017 1.839 1.00 5.23 H new ATOM 0 HB2 ASN A 24 -9.805 6.074 1.757 1.00 2.32 H new ATOM 0 HB3 ASN A 24 -8.479 6.804 0.874 1.00 2.32 H new ATOM 0 HD21 ASN A 24 -8.573 3.307 -1.034 1.00 23.23 H new ATOM 0 HD22 ASN A 24 -7.580 3.685 0.378 1.00 23.23 H new ATOM 392 N VAL A 25 -6.781 6.126 4.383 1.00 52.10 N ATOM 393 CA VAL A 25 -6.423 7.055 5.444 1.00 43.13 C ATOM 394 C VAL A 25 -4.909 7.176 5.506 1.00 34.53 C ATOM 395 O VAL A 25 -4.208 6.305 4.992 1.00 11.40 O ATOM 396 CB VAL A 25 -6.994 6.649 6.808 1.00 3.41 C ATOM 397 CG1 VAL A 25 -8.533 6.687 6.759 1.00 13.04 C ATOM 398 CG2 VAL A 25 -6.493 5.254 7.225 1.00 21.41 C ATOM 0 H VAL A 25 -6.454 5.175 4.555 1.00 52.10 H new ATOM 0 HA VAL A 25 -6.866 8.022 5.208 1.00 43.13 H new ATOM 0 HB VAL A 25 -6.647 7.360 7.558 1.00 3.41 H new ATOM 0 HG11 VAL A 25 -8.935 6.398 7.730 1.00 13.04 H new ATOM 0 HG12 VAL A 25 -8.864 7.696 6.515 1.00 13.04 H new ATOM 0 HG13 VAL A 25 -8.890 5.994 5.997 1.00 13.04 H new ATOM 0 HG21 VAL A 25 -6.913 4.992 8.196 1.00 21.41 H new ATOM 0 HG22 VAL A 25 -6.805 4.519 6.484 1.00 21.41 H new ATOM 0 HG23 VAL A 25 -5.405 5.263 7.291 1.00 21.41 H new ATOM 408 N PRO A 26 -4.326 8.231 6.069 1.00 5.41 N ATOM 409 CA PRO A 26 -2.881 8.360 6.191 1.00 30.25 C ATOM 410 C PRO A 26 -2.272 7.461 7.253 1.00 12.13 C ATOM 411 O PRO A 26 -2.956 6.919 8.121 1.00 31.33 O ATOM 412 CB PRO A 26 -2.681 9.849 6.539 1.00 12.41 C ATOM 413 CG PRO A 26 -3.962 10.235 7.272 1.00 23.12 C ATOM 414 CD PRO A 26 -5.022 9.443 6.513 1.00 71.12 C ATOM 0 HA PRO A 26 -2.378 8.050 5.275 1.00 30.25 H new ATOM 0 HB2 PRO A 26 -1.802 9.997 7.167 1.00 12.41 H new ATOM 0 HB3 PRO A 26 -2.537 10.452 5.642 1.00 12.41 H new ATOM 0 HG2 PRO A 26 -3.926 9.960 8.326 1.00 23.12 H new ATOM 0 HG3 PRO A 26 -4.148 11.308 7.229 1.00 23.12 H new ATOM 0 HD2 PRO A 26 -5.871 9.202 7.153 1.00 71.12 H new ATOM 0 HD3 PRO A 26 -5.411 10.010 5.667 1.00 71.12 H new ATOM 422 N ASP A 27 -0.924 7.357 7.203 1.00 31.41 N ATOM 423 CA ASP A 27 -0.037 6.614 8.082 1.00 52.42 C ATOM 424 C ASP A 27 -0.195 7.133 9.505 1.00 22.13 C ATOM 425 O ASP A 27 -0.177 6.385 10.480 1.00 35.44 O ATOM 426 CB ASP A 27 1.418 6.762 7.532 1.00 31.32 C ATOM 427 CG ASP A 27 2.468 5.903 8.240 1.00 21.25 C ATOM 428 OD1 ASP A 27 2.816 6.228 9.402 1.00 34.34 O ATOM 429 OD2 ASP A 27 2.953 4.936 7.597 1.00 60.40 O ATOM 0 H ASP A 27 -0.397 7.840 6.475 1.00 31.41 H new ATOM 0 HA ASP A 27 -0.280 5.552 8.107 1.00 52.42 H new ATOM 0 HB2 ASP A 27 1.417 6.508 6.472 1.00 31.32 H new ATOM 0 HB3 ASP A 27 1.715 7.808 7.609 1.00 31.32 H new ATOM 434 N ALA A 28 -0.417 8.458 9.604 1.00 53.31 N ATOM 435 CA ALA A 28 -0.636 9.224 10.799 1.00 32.52 C ATOM 436 C ALA A 28 -1.818 8.768 11.625 1.00 41.44 C ATOM 437 O ALA A 28 -1.818 8.916 12.846 1.00 74.11 O ATOM 438 CB ALA A 28 -0.855 10.694 10.407 1.00 32.02 C ATOM 0 H ALA A 28 -0.446 9.047 8.772 1.00 53.31 H new ATOM 0 HA ALA A 28 0.249 9.085 11.420 1.00 32.52 H new ATOM 0 HB1 ALA A 28 -1.023 11.289 11.305 1.00 32.02 H new ATOM 0 HB2 ALA A 28 0.026 11.066 9.884 1.00 32.02 H new ATOM 0 HB3 ALA A 28 -1.724 10.771 9.753 1.00 32.02 H new ATOM 444 N VAL A 29 -2.876 8.210 11.004 1.00 13.10 N ATOM 445 CA VAL A 29 -4.020 7.833 11.800 1.00 0.45 C ATOM 446 C VAL A 29 -4.022 6.351 12.110 1.00 2.32 C ATOM 447 O VAL A 29 -4.523 5.949 13.145 1.00 11.20 O ATOM 448 CB VAL A 29 -5.332 8.255 11.189 1.00 33.44 C ATOM 449 CG1 VAL A 29 -5.314 9.739 10.761 1.00 4.14 C ATOM 450 CG2 VAL A 29 -5.931 7.266 10.191 1.00 63.20 C ATOM 0 H VAL A 29 -2.948 8.024 10.004 1.00 13.10 H new ATOM 0 HA VAL A 29 -3.921 8.379 12.738 1.00 0.45 H new ATOM 0 HB VAL A 29 -6.075 8.204 11.985 1.00 33.44 H new ATOM 0 HG11 VAL A 29 -6.277 10.004 10.325 1.00 4.14 H new ATOM 0 HG12 VAL A 29 -5.125 10.367 11.632 1.00 4.14 H new ATOM 0 HG13 VAL A 29 -4.527 9.895 10.023 1.00 4.14 H new ATOM 0 HG21 VAL A 29 -6.872 7.660 9.808 1.00 63.20 H new ATOM 0 HG22 VAL A 29 -5.237 7.118 9.364 1.00 63.20 H new ATOM 0 HG23 VAL A 29 -6.112 6.313 10.688 1.00 63.20 H new ATOM 460 N MET A 30 -3.414 5.460 11.302 1.00 61.34 N ATOM 461 CA MET A 30 -3.275 4.065 11.724 1.00 51.24 C ATOM 462 C MET A 30 -2.371 3.920 12.943 1.00 1.24 C ATOM 463 O MET A 30 -2.552 3.034 13.776 1.00 20.41 O ATOM 464 CB MET A 30 -2.759 3.087 10.628 1.00 34.42 C ATOM 465 CG MET A 30 -1.329 3.327 10.105 1.00 2.53 C ATOM 466 SD MET A 30 -0.536 1.817 9.462 1.00 61.22 S ATOM 467 CE MET A 30 1.006 2.616 8.950 1.00 53.03 C ATOM 0 H MET A 30 -3.025 5.677 10.384 1.00 61.34 H new ATOM 0 HA MET A 30 -4.300 3.781 11.962 1.00 51.24 H new ATOM 0 HB2 MET A 30 -2.811 2.073 11.025 1.00 34.42 H new ATOM 0 HB3 MET A 30 -3.444 3.133 9.781 1.00 34.42 H new ATOM 0 HG2 MET A 30 -1.359 4.078 9.316 1.00 2.53 H new ATOM 0 HG3 MET A 30 -0.718 3.735 10.910 1.00 2.53 H new ATOM 0 HE1 MET A 30 1.673 1.873 8.513 1.00 53.03 H new ATOM 0 HE2 MET A 30 0.788 3.387 8.211 1.00 53.03 H new ATOM 0 HE3 MET A 30 1.486 3.070 9.817 1.00 53.03 H new ATOM 477 N GLN A 31 -1.388 4.838 13.096 1.00 21.33 N ATOM 478 CA GLN A 31 -0.504 4.883 14.234 1.00 22.33 C ATOM 479 C GLN A 31 -1.161 5.463 15.458 1.00 71.05 C ATOM 480 O GLN A 31 -0.696 5.262 16.580 1.00 12.04 O ATOM 481 CB GLN A 31 0.822 5.595 13.877 1.00 41.53 C ATOM 482 CG GLN A 31 0.850 7.102 13.552 1.00 53.42 C ATOM 483 CD GLN A 31 0.943 7.994 14.783 1.00 31.44 C ATOM 484 OE1 GLN A 31 1.956 8.034 15.483 1.00 23.05 O ATOM 485 NE2 GLN A 31 -0.164 8.734 15.037 1.00 11.02 N ATOM 0 H GLN A 31 -1.202 5.569 12.410 1.00 21.33 H new ATOM 0 HA GLN A 31 -0.261 3.853 14.496 1.00 22.33 H new ATOM 0 HB2 GLN A 31 1.505 5.435 14.711 1.00 41.53 H new ATOM 0 HB3 GLN A 31 1.243 5.075 13.016 1.00 41.53 H new ATOM 0 HG2 GLN A 31 1.699 7.308 12.900 1.00 53.42 H new ATOM 0 HG3 GLN A 31 -0.050 7.361 12.994 1.00 53.42 H new ATOM 0 HE21 GLN A 31 -0.977 8.663 14.425 1.00 11.02 H new ATOM 0 HE22 GLN A 31 -0.184 9.362 15.840 1.00 11.02 H new ATOM 494 N ASP A 32 -2.305 6.171 15.293 1.00 65.22 N ATOM 495 CA ASP A 32 -3.013 6.725 16.430 1.00 42.21 C ATOM 496 C ASP A 32 -3.614 5.618 17.311 1.00 60.33 C ATOM 497 O ASP A 32 -3.695 5.757 18.526 1.00 60.15 O ATOM 498 CB ASP A 32 -4.079 7.778 15.982 1.00 61.32 C ATOM 499 CG ASP A 32 -5.409 7.396 15.337 1.00 21.00 C ATOM 500 OD1 ASP A 32 -5.833 6.226 15.459 1.00 14.25 O ATOM 501 OD2 ASP A 32 -6.044 8.331 14.768 1.00 33.43 O ATOM 0 H ASP A 32 -2.738 6.360 14.389 1.00 65.22 H new ATOM 0 HA ASP A 32 -2.289 7.257 17.047 1.00 42.21 H new ATOM 0 HB2 ASP A 32 -4.323 8.366 16.867 1.00 61.32 H new ATOM 0 HB3 ASP A 32 -3.577 8.447 15.283 1.00 61.32 H new ATOM 506 N PHE A 33 -3.957 4.464 16.695 1.00 65.12 N ATOM 507 CA PHE A 33 -4.273 3.195 17.353 1.00 2.13 C ATOM 508 C PHE A 33 -3.137 2.608 18.175 1.00 75.14 C ATOM 509 O PHE A 33 -3.346 2.125 19.281 1.00 1.32 O ATOM 510 CB PHE A 33 -4.868 2.220 16.296 1.00 43.13 C ATOM 511 CG PHE A 33 -4.939 0.742 16.619 1.00 41.20 C ATOM 512 CD1 PHE A 33 -4.097 -0.136 15.912 1.00 73.13 C ATOM 513 CD2 PHE A 33 -5.826 0.206 17.564 1.00 51.35 C ATOM 514 CE1 PHE A 33 -4.191 -1.522 16.091 1.00 4.11 C ATOM 515 CE2 PHE A 33 -5.971 -1.185 17.704 1.00 75.42 C ATOM 516 CZ PHE A 33 -5.145 -2.047 16.971 1.00 22.03 C ATOM 0 H PHE A 33 -4.021 4.399 15.679 1.00 65.12 H new ATOM 0 HA PHE A 33 -5.027 3.384 18.117 1.00 2.13 H new ATOM 0 HB2 PHE A 33 -5.880 2.557 16.070 1.00 43.13 H new ATOM 0 HB3 PHE A 33 -4.284 2.330 15.382 1.00 43.13 H new ATOM 0 HD1 PHE A 33 -3.369 0.264 15.222 1.00 73.13 H new ATOM 0 HD2 PHE A 33 -6.404 0.869 18.191 1.00 51.35 H new ATOM 0 HE1 PHE A 33 -3.529 -2.184 15.552 1.00 4.11 H new ATOM 0 HE2 PHE A 33 -6.716 -1.588 18.374 1.00 75.42 H new ATOM 0 HZ PHE A 33 -5.244 -3.116 17.085 1.00 22.03 H new ATOM 526 N PHE A 34 -1.893 2.637 17.675 1.00 64.01 N ATOM 527 CA PHE A 34 -0.725 2.224 18.452 1.00 44.42 C ATOM 528 C PHE A 34 -0.453 3.128 19.657 1.00 15.04 C ATOM 529 O PHE A 34 -0.194 2.653 20.761 1.00 1.21 O ATOM 530 CB PHE A 34 0.550 2.149 17.570 1.00 30.12 C ATOM 531 CG PHE A 34 0.516 0.929 16.686 1.00 13.54 C ATOM 532 CD1 PHE A 34 1.081 -0.270 17.156 1.00 1.33 C ATOM 533 CD2 PHE A 34 -0.070 0.945 15.409 1.00 61.23 C ATOM 534 CE1 PHE A 34 1.101 -1.416 16.354 1.00 13.02 C ATOM 535 CE2 PHE A 34 -0.056 -0.201 14.602 1.00 34.32 C ATOM 536 CZ PHE A 34 0.541 -1.378 15.072 1.00 40.01 C ATOM 0 H PHE A 34 -1.674 2.945 16.728 1.00 64.01 H new ATOM 0 HA PHE A 34 -0.967 1.230 18.829 1.00 44.42 H new ATOM 0 HB2 PHE A 34 0.627 3.047 16.956 1.00 30.12 H new ATOM 0 HB3 PHE A 34 1.436 2.120 18.205 1.00 30.12 H new ATOM 0 HD1 PHE A 34 1.505 -0.306 18.149 1.00 1.33 H new ATOM 0 HD2 PHE A 34 -0.536 1.849 15.046 1.00 61.23 H new ATOM 0 HE1 PHE A 34 1.547 -2.328 16.723 1.00 13.02 H new ATOM 0 HE2 PHE A 34 -0.505 -0.177 13.620 1.00 34.32 H new ATOM 0 HZ PHE A 34 0.569 -2.257 14.445 1.00 40.01 H new ATOM 546 N ASN A 35 -0.557 4.463 19.469 1.00 2.51 N ATOM 547 CA ASN A 35 -0.462 5.489 20.499 1.00 14.32 C ATOM 548 C ASN A 35 -1.592 5.464 21.518 1.00 31.12 C ATOM 549 O ASN A 35 -1.413 5.900 22.648 1.00 14.32 O ATOM 550 CB ASN A 35 -0.381 6.878 19.835 1.00 35.24 C ATOM 551 CG ASN A 35 1.018 7.098 19.258 1.00 11.34 C ATOM 552 OD1 ASN A 35 1.934 7.499 19.978 1.00 44.35 O ATOM 553 ND2 ASN A 35 1.193 6.821 17.945 1.00 61.14 N ATOM 0 H ASN A 35 -0.717 4.860 18.543 1.00 2.51 H new ATOM 0 HA ASN A 35 0.446 5.272 21.062 1.00 14.32 H new ATOM 0 HB2 ASN A 35 -1.127 6.957 19.044 1.00 35.24 H new ATOM 0 HB3 ASN A 35 -0.609 7.654 20.566 1.00 35.24 H new ATOM 0 HD21 ASN A 35 2.110 6.942 17.516 1.00 61.14 H new ATOM 0 HD22 ASN A 35 0.407 6.491 17.384 1.00 61.14 H new ATOM 560 N PHE A 36 -2.777 4.929 21.160 1.00 74.11 N ATOM 561 CA PHE A 36 -3.968 4.814 21.990 1.00 32.11 C ATOM 562 C PHE A 36 -3.705 4.043 23.276 1.00 4.12 C ATOM 563 O PHE A 36 -4.180 4.408 24.348 1.00 63.13 O ATOM 564 CB PHE A 36 -5.076 4.125 21.138 1.00 33.21 C ATOM 565 CG PHE A 36 -6.395 3.923 21.820 1.00 64.33 C ATOM 566 CD1 PHE A 36 -6.658 2.728 22.511 1.00 34.31 C ATOM 567 CD2 PHE A 36 -7.395 4.899 21.738 1.00 73.41 C ATOM 568 CE1 PHE A 36 -7.899 2.519 23.119 1.00 74.24 C ATOM 569 CE2 PHE A 36 -8.629 4.706 22.365 1.00 40.15 C ATOM 570 CZ PHE A 36 -8.878 3.510 23.042 1.00 14.25 C ATOM 0 H PHE A 36 -2.925 4.546 20.226 1.00 74.11 H new ATOM 0 HA PHE A 36 -4.288 5.809 22.301 1.00 32.11 H new ATOM 0 HB2 PHE A 36 -5.240 4.721 20.240 1.00 33.21 H new ATOM 0 HB3 PHE A 36 -4.705 3.153 20.812 1.00 33.21 H new ATOM 0 HD1 PHE A 36 -5.896 1.966 22.573 1.00 34.31 H new ATOM 0 HD2 PHE A 36 -7.211 5.809 21.186 1.00 73.41 H new ATOM 0 HE1 PHE A 36 -8.099 1.597 23.645 1.00 74.24 H new ATOM 0 HE2 PHE A 36 -9.385 5.476 22.326 1.00 40.15 H new ATOM 0 HZ PHE A 36 -9.838 3.351 23.511 1.00 14.25 H new ATOM 580 N TRP A 37 -2.941 2.937 23.179 1.00 1.11 N ATOM 581 CA TRP A 37 -2.639 2.044 24.280 1.00 42.41 C ATOM 582 C TRP A 37 -1.668 2.649 25.285 1.00 64.31 C ATOM 583 O TRP A 37 -1.556 2.178 26.416 1.00 33.25 O ATOM 584 CB TRP A 37 -2.065 0.712 23.743 1.00 44.43 C ATOM 585 CG TRP A 37 -2.996 0.020 22.762 1.00 23.23 C ATOM 586 CD1 TRP A 37 -2.760 -0.202 21.434 1.00 15.42 C ATOM 587 CD2 TRP A 37 -4.377 -0.329 22.991 1.00 31.21 C ATOM 588 NE1 TRP A 37 -3.886 -0.707 20.822 1.00 70.02 N ATOM 589 CE2 TRP A 37 -4.896 -0.769 21.754 1.00 10.14 C ATOM 590 CE3 TRP A 37 -5.182 -0.277 24.130 1.00 12.15 C ATOM 591 CZ2 TRP A 37 -6.225 -1.148 21.635 1.00 51.41 C ATOM 592 CZ3 TRP A 37 -6.530 -0.645 24.000 1.00 1.21 C ATOM 593 CH2 TRP A 37 -7.049 -1.058 22.766 1.00 2.24 C ATOM 0 H TRP A 37 -2.512 2.645 22.301 1.00 1.11 H new ATOM 0 HA TRP A 37 -3.578 1.866 24.804 1.00 42.41 H new ATOM 0 HB2 TRP A 37 -1.109 0.904 23.255 1.00 44.43 H new ATOM 0 HB3 TRP A 37 -1.866 0.044 24.581 1.00 44.43 H new ATOM 0 HD1 TRP A 37 -1.822 -0.009 20.935 1.00 15.42 H new ATOM 0 HE1 TRP A 37 -3.959 -0.987 19.844 1.00 70.02 H new ATOM 0 HE3 TRP A 37 -4.780 0.037 25.082 1.00 12.15 H new ATOM 0 HZ2 TRP A 37 -6.616 -1.504 20.693 1.00 51.41 H new ATOM 0 HZ3 TRP A 37 -7.177 -0.609 24.864 1.00 1.21 H new ATOM 0 HH2 TRP A 37 -8.096 -1.310 22.685 1.00 2.24 H new ATOM 604 N LYS A 38 -0.929 3.709 24.879 1.00 41.34 N ATOM 605 CA LYS A 38 -0.001 4.451 25.714 1.00 64.45 C ATOM 606 C LYS A 38 -0.743 5.134 26.857 1.00 11.05 C ATOM 607 O LYS A 38 -1.824 5.695 26.668 1.00 13.41 O ATOM 608 CB LYS A 38 0.736 5.526 24.890 1.00 55.22 C ATOM 609 CG LYS A 38 1.903 6.218 25.612 1.00 73.41 C ATOM 610 CD LYS A 38 1.739 7.744 25.656 1.00 43.55 C ATOM 611 CE LYS A 38 3.058 8.511 25.604 1.00 32.24 C ATOM 612 NZ LYS A 38 3.853 8.253 26.818 1.00 71.11 N ATOM 0 H LYS A 38 -0.976 4.070 23.926 1.00 41.34 H new ATOM 0 HA LYS A 38 0.723 3.742 26.116 1.00 64.45 H new ATOM 0 HB2 LYS A 38 1.116 5.065 23.978 1.00 55.22 H new ATOM 0 HB3 LYS A 38 0.016 6.286 24.587 1.00 55.22 H new ATOM 0 HG2 LYS A 38 1.977 5.833 26.629 1.00 73.41 H new ATOM 0 HG3 LYS A 38 2.837 5.970 25.108 1.00 73.41 H new ATOM 0 HD2 LYS A 38 1.115 8.057 24.819 1.00 43.55 H new ATOM 0 HD3 LYS A 38 1.208 8.016 26.568 1.00 43.55 H new ATOM 0 HE2 LYS A 38 3.624 8.213 24.721 1.00 32.24 H new ATOM 0 HE3 LYS A 38 2.861 9.579 25.511 1.00 32.24 H new ATOM 0 HZ1 LYS A 38 4.747 8.782 26.767 1.00 71.11 H new ATOM 0 HZ2 LYS A 38 3.317 8.559 27.655 1.00 71.11 H new ATOM 0 HZ3 LYS A 38 4.057 7.236 26.890 1.00 71.11 H new ATOM 626 N GLU A 39 -0.211 5.074 28.100 1.00 61.23 N ATOM 627 CA GLU A 39 -1.023 5.311 29.274 1.00 3.23 C ATOM 628 C GLU A 39 -1.560 6.733 29.390 1.00 34.14 C ATOM 629 O GLU A 39 -0.820 7.706 29.524 1.00 61.42 O ATOM 630 CB GLU A 39 -0.258 4.958 30.584 1.00 24.33 C ATOM 631 CG GLU A 39 0.079 3.450 30.784 1.00 63.33 C ATOM 632 CD GLU A 39 1.313 2.924 30.038 1.00 12.33 C ATOM 633 OE1 GLU A 39 1.653 1.736 30.274 1.00 73.31 O ATOM 634 OE2 GLU A 39 1.918 3.687 29.239 1.00 72.20 O ATOM 0 H GLU A 39 0.768 4.865 28.295 1.00 61.23 H new ATOM 0 HA GLU A 39 -1.879 4.648 29.145 1.00 3.23 H new ATOM 0 HB2 GLU A 39 0.673 5.525 30.604 1.00 24.33 H new ATOM 0 HB3 GLU A 39 -0.854 5.294 31.433 1.00 24.33 H new ATOM 0 HG2 GLU A 39 0.221 3.270 31.850 1.00 63.33 H new ATOM 0 HG3 GLU A 39 -0.785 2.862 30.473 1.00 63.33 H new ATOM 641 N GLY A 40 -2.911 6.851 29.353 1.00 1.42 N ATOM 642 CA GLY A 40 -3.643 8.101 29.476 1.00 54.51 C ATOM 643 C GLY A 40 -3.712 8.925 28.215 1.00 24.43 C ATOM 644 O GLY A 40 -4.280 10.014 28.236 1.00 61.31 O ATOM 0 H GLY A 40 -3.524 6.045 29.232 1.00 1.42 H new ATOM 0 HA2 GLY A 40 -4.659 7.879 29.803 1.00 54.51 H new ATOM 0 HA3 GLY A 40 -3.179 8.701 30.259 1.00 54.51 H new ATOM 648 N TYR A 41 -3.114 8.462 27.091 1.00 21.31 N ATOM 649 CA TYR A 41 -2.880 9.287 25.923 1.00 42.22 C ATOM 650 C TYR A 41 -4.163 9.674 25.184 1.00 41.11 C ATOM 651 O TYR A 41 -5.072 8.872 24.970 1.00 53.14 O ATOM 652 CB TYR A 41 -1.873 8.584 24.984 1.00 65.54 C ATOM 653 CG TYR A 41 -1.305 9.512 23.948 1.00 43.42 C ATOM 654 CD1 TYR A 41 -1.512 9.317 22.577 1.00 61.51 C ATOM 655 CD2 TYR A 41 -0.524 10.597 24.377 1.00 22.22 C ATOM 656 CE1 TYR A 41 -0.965 10.212 21.645 1.00 62.43 C ATOM 657 CE2 TYR A 41 0.026 11.491 23.449 1.00 74.22 C ATOM 658 CZ TYR A 41 -0.200 11.301 22.079 1.00 14.12 C ATOM 659 OH TYR A 41 0.344 12.194 21.134 1.00 53.35 O ATOM 0 H TYR A 41 -2.787 7.502 26.987 1.00 21.31 H new ATOM 0 HA TYR A 41 -2.455 10.229 26.270 1.00 42.22 H new ATOM 0 HB2 TYR A 41 -1.060 8.166 25.577 1.00 65.54 H new ATOM 0 HB3 TYR A 41 -2.367 7.749 24.487 1.00 65.54 H new ATOM 0 HD1 TYR A 41 -2.095 8.474 22.236 1.00 61.51 H new ATOM 0 HD2 TYR A 41 -0.346 10.744 25.432 1.00 22.22 H new ATOM 0 HE1 TYR A 41 -1.135 10.060 20.589 1.00 62.43 H new ATOM 0 HE2 TYR A 41 0.623 12.325 23.789 1.00 74.22 H new ATOM 0 HH TYR A 41 0.847 12.895 21.598 1.00 53.35 H new ATOM 669 N GLN A 42 -4.276 10.963 24.797 1.00 21.44 N ATOM 670 CA GLN A 42 -5.537 11.543 24.373 1.00 24.50 C ATOM 671 C GLN A 42 -5.819 11.381 22.900 1.00 32.02 C ATOM 672 O GLN A 42 -5.642 12.290 22.092 1.00 52.23 O ATOM 673 CB GLN A 42 -5.672 13.046 24.729 1.00 71.22 C ATOM 674 CG GLN A 42 -5.641 13.301 26.250 1.00 74.00 C ATOM 675 CD GLN A 42 -4.227 13.586 26.765 1.00 21.21 C ATOM 676 OE1 GLN A 42 -3.658 14.645 26.491 1.00 4.41 O ATOM 677 NE2 GLN A 42 -3.639 12.632 27.529 1.00 71.22 N ATOM 0 H GLN A 42 -3.492 11.615 24.775 1.00 21.44 H new ATOM 0 HA GLN A 42 -6.274 10.970 24.936 1.00 24.50 H new ATOM 0 HB2 GLN A 42 -4.863 13.602 24.255 1.00 71.22 H new ATOM 0 HB3 GLN A 42 -6.606 13.430 24.319 1.00 71.22 H new ATOM 0 HG2 GLN A 42 -6.288 14.145 26.487 1.00 74.00 H new ATOM 0 HG3 GLN A 42 -6.046 12.433 26.770 1.00 74.00 H new ATOM 0 HE21 GLN A 42 -4.137 11.767 27.737 1.00 71.22 H new ATOM 0 HE22 GLN A 42 -2.699 12.780 27.895 1.00 71.22 H new ATOM 686 N ILE A 43 -6.320 10.192 22.534 1.00 71.13 N ATOM 687 CA ILE A 43 -6.777 9.911 21.186 1.00 54.00 C ATOM 688 C ILE A 43 -8.275 10.160 21.102 1.00 34.12 C ATOM 689 O ILE A 43 -9.075 9.543 21.802 1.00 62.32 O ATOM 690 CB ILE A 43 -6.477 8.488 20.795 1.00 11.35 C ATOM 691 CG1 ILE A 43 -4.973 8.173 20.926 1.00 52.53 C ATOM 692 CG2 ILE A 43 -6.961 8.171 19.357 1.00 42.21 C ATOM 693 CD1 ILE A 43 -4.041 8.981 20.022 1.00 30.05 C ATOM 0 H ILE A 43 -6.415 9.403 23.174 1.00 71.13 H new ATOM 0 HA ILE A 43 -6.249 10.570 20.497 1.00 54.00 H new ATOM 0 HB ILE A 43 -7.028 7.851 21.487 1.00 11.35 H new ATOM 0 HG12 ILE A 43 -4.676 8.337 21.962 1.00 52.53 H new ATOM 0 HG13 ILE A 43 -4.824 7.114 20.716 1.00 52.53 H new ATOM 0 HG21 ILE A 43 -6.726 7.135 19.114 1.00 42.21 H new ATOM 0 HG22 ILE A 43 -8.039 8.323 19.294 1.00 42.21 H new ATOM 0 HG23 ILE A 43 -6.460 8.832 18.650 1.00 42.21 H new ATOM 0 HD11 ILE A 43 -3.009 8.677 20.198 1.00 30.05 H new ATOM 0 HD12 ILE A 43 -4.299 8.800 18.979 1.00 30.05 H new ATOM 0 HD13 ILE A 43 -4.149 10.043 20.244 1.00 30.05 H new ATOM 705 N THR A 44 -8.675 11.105 20.226 1.00 51.33 N ATOM 706 CA THR A 44 -10.046 11.589 20.085 1.00 54.33 C ATOM 707 C THR A 44 -10.552 11.428 18.665 1.00 15.13 C ATOM 708 O THR A 44 -11.703 11.735 18.366 1.00 73.03 O ATOM 709 CB THR A 44 -10.201 13.052 20.499 1.00 23.42 C ATOM 710 OG1 THR A 44 -9.364 13.919 19.736 1.00 74.45 O ATOM 711 CG2 THR A 44 -9.840 13.231 21.985 1.00 31.33 C ATOM 0 H THR A 44 -8.027 11.560 19.583 1.00 51.33 H new ATOM 0 HA THR A 44 -10.642 10.974 20.759 1.00 54.33 H new ATOM 0 HB THR A 44 -11.243 13.315 20.319 1.00 23.42 H new ATOM 0 HG1 THR A 44 -9.495 14.844 20.031 1.00 74.45 H new ATOM 0 HG21 THR A 44 -9.956 14.278 22.264 1.00 31.33 H new ATOM 0 HG22 THR A 44 -10.502 12.617 22.597 1.00 31.33 H new ATOM 0 HG23 THR A 44 -8.807 12.924 22.148 1.00 31.33 H new ATOM 719 N ASN A 45 -9.679 10.978 17.739 1.00 10.35 N ATOM 720 CA ASN A 45 -9.871 11.106 16.314 1.00 71.21 C ATOM 721 C ASN A 45 -10.735 10.001 15.746 1.00 32.04 C ATOM 722 O ASN A 45 -10.522 8.825 16.010 1.00 74.13 O ATOM 723 CB ASN A 45 -8.486 11.153 15.621 1.00 31.02 C ATOM 724 CG ASN A 45 -8.598 11.573 14.157 1.00 32.23 C ATOM 725 OD1 ASN A 45 -9.471 12.355 13.777 1.00 13.23 O ATOM 726 ND2 ASN A 45 -7.702 11.009 13.314 1.00 64.03 N ATOM 0 H ASN A 45 -8.808 10.508 17.986 1.00 10.35 H new ATOM 0 HA ASN A 45 -10.408 12.035 16.120 1.00 71.21 H new ATOM 0 HB2 ASN A 45 -7.838 11.851 16.151 1.00 31.02 H new ATOM 0 HB3 ASN A 45 -8.015 10.172 15.683 1.00 31.02 H new ATOM 0 HD21 ASN A 45 -7.732 11.226 12.318 1.00 64.03 H new ATOM 0 HD22 ASN A 45 -6.997 10.367 13.675 1.00 64.03 H new ATOM 733 N ARG A 46 -11.705 10.368 14.882 1.00 55.12 N ATOM 734 CA ARG A 46 -12.697 9.483 14.299 1.00 70.33 C ATOM 735 C ARG A 46 -12.102 8.355 13.477 1.00 62.24 C ATOM 736 O ARG A 46 -12.602 7.234 13.473 1.00 64.44 O ATOM 737 CB ARG A 46 -13.673 10.296 13.432 1.00 41.31 C ATOM 738 CG ARG A 46 -13.025 10.956 12.205 1.00 21.25 C ATOM 739 CD ARG A 46 -13.986 11.940 11.542 1.00 42.14 C ATOM 740 NE ARG A 46 -15.118 11.155 10.946 1.00 40.52 N ATOM 741 CZ ARG A 46 -16.151 11.745 10.275 1.00 0.51 C ATOM 742 NH1 ARG A 46 -16.165 13.094 10.087 1.00 33.31 N ATOM 743 NH2 ARG A 46 -17.165 10.964 9.802 1.00 44.03 N ATOM 0 H ARG A 46 -11.810 11.333 14.568 1.00 55.12 H new ATOM 0 HA ARG A 46 -13.220 9.015 15.133 1.00 70.33 H new ATOM 0 HB2 ARG A 46 -14.476 9.640 13.096 1.00 41.31 H new ATOM 0 HB3 ARG A 46 -14.130 11.070 14.048 1.00 41.31 H new ATOM 0 HG2 ARG A 46 -12.116 11.477 12.505 1.00 21.25 H new ATOM 0 HG3 ARG A 46 -12.731 10.190 11.488 1.00 21.25 H new ATOM 0 HD2 ARG A 46 -14.362 12.656 12.273 1.00 42.14 H new ATOM 0 HD3 ARG A 46 -13.472 12.513 10.770 1.00 42.14 H new ATOM 0 HE ARG A 46 -15.116 10.140 11.046 1.00 40.52 H new ATOM 0 HH11 ARG A 46 -15.402 13.667 10.448 1.00 33.31 H new ATOM 0 HH12 ARG A 46 -16.938 13.531 9.585 1.00 33.31 H new ATOM 0 HH21 ARG A 46 -17.144 9.955 9.952 1.00 44.03 H new ATOM 0 HH22 ARG A 46 -17.944 11.389 9.299 1.00 44.03 H new ATOM 757 N GLU A 47 -10.947 8.608 12.828 1.00 4.30 N ATOM 758 CA GLU A 47 -10.152 7.619 12.155 1.00 11.02 C ATOM 759 C GLU A 47 -9.620 6.547 13.039 1.00 63.52 C ATOM 760 O GLU A 47 -9.459 5.421 12.580 1.00 5.12 O ATOM 761 CB GLU A 47 -8.974 8.253 11.413 1.00 62.22 C ATOM 762 CG GLU A 47 -9.381 8.887 10.072 1.00 14.34 C ATOM 763 CD GLU A 47 -8.453 9.972 9.540 1.00 44.12 C ATOM 764 OE1 GLU A 47 -8.249 10.974 10.276 1.00 2.24 O ATOM 765 OE2 GLU A 47 -7.955 9.818 8.395 1.00 34.24 O ATOM 0 H GLU A 47 -10.548 9.545 12.769 1.00 4.30 H new ATOM 0 HA GLU A 47 -10.847 7.156 11.455 1.00 11.02 H new ATOM 0 HB2 GLU A 47 -8.520 9.015 12.046 1.00 62.22 H new ATOM 0 HB3 GLU A 47 -8.213 7.493 11.234 1.00 62.22 H new ATOM 0 HG2 GLU A 47 -9.450 8.097 9.325 1.00 14.34 H new ATOM 0 HG3 GLU A 47 -10.379 9.311 10.181 1.00 14.34 H new ATOM 772 N ALA A 48 -9.354 6.857 14.324 1.00 3.33 N ATOM 773 CA ALA A 48 -8.878 5.841 15.251 1.00 64.14 C ATOM 774 C ALA A 48 -9.864 4.695 15.367 1.00 75.05 C ATOM 775 O ALA A 48 -9.500 3.537 15.230 1.00 74.35 O ATOM 776 CB ALA A 48 -8.600 6.427 16.664 1.00 23.42 C ATOM 0 H ALA A 48 -9.462 7.788 14.727 1.00 3.33 H new ATOM 0 HA ALA A 48 -7.940 5.466 14.842 1.00 64.14 H new ATOM 0 HB1 ALA A 48 -8.247 5.634 17.324 1.00 23.42 H new ATOM 0 HB2 ALA A 48 -7.840 7.205 16.592 1.00 23.42 H new ATOM 0 HB3 ALA A 48 -9.518 6.853 17.068 1.00 23.42 H new ATOM 782 N GLY A 49 -11.173 4.992 15.481 1.00 73.23 N ATOM 783 CA GLY A 49 -12.213 3.973 15.488 1.00 3.45 C ATOM 784 C GLY A 49 -12.301 3.231 14.202 1.00 40.24 C ATOM 785 O GLY A 49 -12.495 2.021 14.214 1.00 42.23 O ATOM 0 H GLY A 49 -11.527 5.944 15.570 1.00 73.23 H new ATOM 0 HA2 GLY A 49 -12.019 3.268 16.296 1.00 3.45 H new ATOM 0 HA3 GLY A 49 -13.174 4.443 15.698 1.00 3.45 H new ATOM 789 N CYS A 50 -12.150 3.948 13.061 1.00 51.41 N ATOM 790 CA CYS A 50 -12.240 3.380 11.734 1.00 3.31 C ATOM 791 C CYS A 50 -11.137 2.364 11.494 1.00 53.24 C ATOM 792 O CYS A 50 -11.388 1.311 10.914 1.00 45.42 O ATOM 793 CB CYS A 50 -12.190 4.472 10.635 1.00 74.24 C ATOM 794 SG CYS A 50 -13.619 5.618 10.615 1.00 1.53 S ATOM 0 H CYS A 50 -11.960 4.950 13.060 1.00 51.41 H new ATOM 0 HA CYS A 50 -13.205 2.877 11.675 1.00 3.31 H new ATOM 0 HB2 CYS A 50 -11.278 5.055 10.765 1.00 74.24 H new ATOM 0 HB3 CYS A 50 -12.121 3.984 9.663 1.00 74.24 H new ATOM 799 N VAL A 51 -9.887 2.631 11.956 1.00 34.13 N ATOM 800 CA VAL A 51 -8.840 1.617 11.928 1.00 30.23 C ATOM 801 C VAL A 51 -9.126 0.496 12.887 1.00 11.23 C ATOM 802 O VAL A 51 -9.028 -0.665 12.521 1.00 54.44 O ATOM 803 CB VAL A 51 -7.405 2.173 12.073 1.00 62.53 C ATOM 804 CG1 VAL A 51 -7.143 3.096 13.278 1.00 24.55 C ATOM 805 CG2 VAL A 51 -6.402 1.014 12.270 1.00 24.13 C ATOM 0 H VAL A 51 -9.599 3.530 12.343 1.00 34.13 H new ATOM 0 HA VAL A 51 -8.867 1.202 10.920 1.00 30.23 H new ATOM 0 HB VAL A 51 -7.282 2.747 11.155 1.00 62.53 H new ATOM 0 HG11 VAL A 51 -6.102 3.420 13.269 1.00 24.55 H new ATOM 0 HG12 VAL A 51 -7.795 3.968 13.217 1.00 24.55 H new ATOM 0 HG13 VAL A 51 -7.347 2.555 14.202 1.00 24.55 H new ATOM 0 HG21 VAL A 51 -5.395 1.418 12.371 1.00 24.13 H new ATOM 0 HG22 VAL A 51 -6.662 0.457 13.170 1.00 24.13 H new ATOM 0 HG23 VAL A 51 -6.441 0.348 11.408 1.00 24.13 H new ATOM 815 N ILE A 52 -9.586 0.790 14.113 1.00 33.43 N ATOM 816 CA ILE A 52 -9.778 -0.211 15.157 1.00 53.05 C ATOM 817 C ILE A 52 -10.778 -1.277 14.754 1.00 4.23 C ATOM 818 O ILE A 52 -10.529 -2.473 14.894 1.00 4.52 O ATOM 819 CB ILE A 52 -10.188 0.464 16.463 1.00 12.42 C ATOM 820 CG1 ILE A 52 -9.007 1.254 17.061 1.00 52.03 C ATOM 821 CG2 ILE A 52 -10.746 -0.574 17.458 1.00 13.23 C ATOM 822 CD1 ILE A 52 -9.307 2.413 18.035 1.00 44.14 C ATOM 0 H ILE A 52 -9.835 1.736 14.403 1.00 33.43 H new ATOM 0 HA ILE A 52 -8.826 -0.719 15.307 1.00 53.05 H new ATOM 0 HB ILE A 52 -10.985 1.178 16.253 1.00 12.42 H new ATOM 0 HG12 ILE A 52 -8.364 0.544 17.581 1.00 52.03 H new ATOM 0 HG13 ILE A 52 -8.428 1.661 16.232 1.00 52.03 H new ATOM 0 HG21 ILE A 52 -11.033 -0.074 18.383 1.00 13.23 H new ATOM 0 HG22 ILE A 52 -11.619 -1.062 17.024 1.00 13.23 H new ATOM 0 HG23 ILE A 52 -9.981 -1.321 17.672 1.00 13.23 H new ATOM 0 HD11 ILE A 52 -8.371 2.864 18.364 1.00 44.14 H new ATOM 0 HD12 ILE A 52 -9.914 3.165 17.530 1.00 44.14 H new ATOM 0 HD13 ILE A 52 -9.849 2.030 18.900 1.00 44.14 H new ATOM 834 N LEU A 53 -11.924 -0.865 14.187 1.00 13.21 N ATOM 835 CA LEU A 53 -12.955 -1.766 13.729 1.00 5.15 C ATOM 836 C LEU A 53 -12.568 -2.615 12.538 1.00 13.33 C ATOM 837 O LEU A 53 -13.038 -3.738 12.367 1.00 54.41 O ATOM 838 CB LEU A 53 -14.264 -0.968 13.522 1.00 53.53 C ATOM 839 CG LEU A 53 -14.334 0.116 12.422 1.00 13.22 C ATOM 840 CD1 LEU A 53 -14.299 -0.425 10.987 1.00 32.34 C ATOM 841 CD2 LEU A 53 -15.612 0.946 12.631 1.00 14.12 C ATOM 0 H LEU A 53 -12.148 0.119 14.039 1.00 13.21 H new ATOM 0 HA LEU A 53 -13.114 -2.512 14.507 1.00 5.15 H new ATOM 0 HB2 LEU A 53 -15.056 -1.689 13.320 1.00 53.53 H new ATOM 0 HB3 LEU A 53 -14.505 -0.486 14.470 1.00 53.53 H new ATOM 0 HG LEU A 53 -13.434 0.723 12.526 1.00 13.22 H new ATOM 0 HD11 LEU A 53 -14.353 0.406 10.284 1.00 32.34 H new ATOM 0 HD12 LEU A 53 -13.372 -0.976 10.828 1.00 32.34 H new ATOM 0 HD13 LEU A 53 -15.148 -1.090 10.828 1.00 32.34 H new ATOM 0 HD21 LEU A 53 -15.676 1.716 11.862 1.00 14.12 H new ATOM 0 HD22 LEU A 53 -16.484 0.295 12.566 1.00 14.12 H new ATOM 0 HD23 LEU A 53 -15.584 1.417 13.614 1.00 14.12 H new ATOM 853 N CYS A 54 -11.651 -2.084 11.711 1.00 54.23 N ATOM 854 CA CYS A 54 -11.039 -2.753 10.582 1.00 61.12 C ATOM 855 C CYS A 54 -10.232 -3.968 11.004 1.00 12.53 C ATOM 856 O CYS A 54 -10.367 -5.012 10.368 1.00 61.01 O ATOM 857 CB CYS A 54 -10.198 -1.763 9.729 1.00 13.22 C ATOM 858 SG CYS A 54 -9.424 -2.479 8.245 1.00 74.11 S ATOM 0 H CYS A 54 -11.309 -1.130 11.829 1.00 54.23 H new ATOM 0 HA CYS A 54 -11.846 -3.124 9.950 1.00 61.12 H new ATOM 0 HB2 CYS A 54 -10.840 -0.938 9.422 1.00 13.22 H new ATOM 0 HB3 CYS A 54 -9.415 -1.340 10.359 1.00 13.22 H new ATOM 863 N LEU A 55 -9.413 -3.932 12.100 1.00 1.41 N ATOM 864 CA LEU A 55 -8.712 -5.105 12.550 1.00 73.12 C ATOM 865 C LEU A 55 -9.615 -6.235 12.939 1.00 33.15 C ATOM 866 O LEU A 55 -9.340 -7.380 12.616 1.00 14.34 O ATOM 867 CB LEU A 55 -7.860 -4.685 13.725 1.00 72.42 C ATOM 868 CG LEU A 55 -6.631 -3.862 13.310 1.00 23.13 C ATOM 869 CD1 LEU A 55 -5.609 -4.735 12.582 1.00 22.23 C ATOM 870 CD2 LEU A 55 -6.775 -2.504 12.632 1.00 63.34 C ATOM 0 H LEU A 55 -9.245 -3.097 12.661 1.00 1.41 H new ATOM 0 HA LEU A 55 -8.113 -5.491 11.725 1.00 73.12 H new ATOM 0 HB2 LEU A 55 -8.466 -4.099 14.416 1.00 72.42 H new ATOM 0 HB3 LEU A 55 -7.531 -5.573 14.264 1.00 72.42 H new ATOM 0 HG LEU A 55 -6.290 -3.536 14.293 1.00 23.13 H new ATOM 0 HD11 LEU A 55 -4.749 -4.129 12.299 1.00 22.23 H new ATOM 0 HD12 LEU A 55 -5.284 -5.541 13.240 1.00 22.23 H new ATOM 0 HD13 LEU A 55 -6.064 -5.159 11.687 1.00 22.23 H new ATOM 0 HD21 LEU A 55 -5.786 -2.094 12.424 1.00 63.34 H new ATOM 0 HD22 LEU A 55 -7.323 -2.620 11.697 1.00 63.34 H new ATOM 0 HD23 LEU A 55 -7.318 -1.825 13.289 1.00 63.34 H new ATOM 882 N ALA A 56 -10.745 -5.928 13.584 1.00 73.54 N ATOM 883 CA ALA A 56 -11.692 -6.860 14.133 1.00 54.12 C ATOM 884 C ALA A 56 -12.254 -7.863 13.144 1.00 71.54 C ATOM 885 O ALA A 56 -12.471 -9.030 13.466 1.00 14.02 O ATOM 886 CB ALA A 56 -12.796 -6.015 14.777 1.00 70.32 C ATOM 0 H ALA A 56 -11.025 -4.959 13.738 1.00 73.54 H new ATOM 0 HA ALA A 56 -11.182 -7.495 14.857 1.00 54.12 H new ATOM 0 HB1 ALA A 56 -13.549 -6.671 15.214 1.00 70.32 H new ATOM 0 HB2 ALA A 56 -12.365 -5.387 15.557 1.00 70.32 H new ATOM 0 HB3 ALA A 56 -13.260 -5.384 14.019 1.00 70.32 H new ATOM 892 N LYS A 57 -12.467 -7.412 11.896 1.00 2.55 N ATOM 893 CA LYS A 57 -12.862 -8.254 10.782 1.00 1.24 C ATOM 894 C LYS A 57 -11.696 -8.990 10.119 1.00 71.52 C ATOM 895 O LYS A 57 -11.899 -9.943 9.369 1.00 22.31 O ATOM 896 CB LYS A 57 -13.592 -7.409 9.709 1.00 34.31 C ATOM 897 CG LYS A 57 -14.921 -6.810 10.199 1.00 41.24 C ATOM 898 CD LYS A 57 -15.625 -5.978 9.114 1.00 64.54 C ATOM 899 CE LYS A 57 -17.008 -5.489 9.541 1.00 72.02 C ATOM 900 NZ LYS A 57 -17.640 -4.752 8.430 1.00 1.21 N ATOM 0 H LYS A 57 -12.364 -6.430 11.641 1.00 2.55 H new ATOM 0 HA LYS A 57 -13.523 -9.011 11.203 1.00 1.24 H new ATOM 0 HB2 LYS A 57 -12.936 -6.601 9.386 1.00 34.31 H new ATOM 0 HB3 LYS A 57 -13.784 -8.032 8.836 1.00 34.31 H new ATOM 0 HG2 LYS A 57 -15.582 -7.615 10.522 1.00 41.24 H new ATOM 0 HG3 LYS A 57 -14.734 -6.182 11.070 1.00 41.24 H new ATOM 0 HD2 LYS A 57 -15.003 -5.119 8.862 1.00 64.54 H new ATOM 0 HD3 LYS A 57 -15.721 -6.578 8.209 1.00 64.54 H new ATOM 0 HE2 LYS A 57 -17.631 -6.336 9.829 1.00 72.02 H new ATOM 0 HE3 LYS A 57 -16.922 -4.844 10.416 1.00 72.02 H new ATOM 0 HZ1 LYS A 57 -18.581 -4.421 8.724 1.00 1.21 H new ATOM 0 HZ2 LYS A 57 -17.049 -3.935 8.175 1.00 1.21 H new ATOM 0 HZ3 LYS A 57 -17.736 -5.380 7.607 1.00 1.21 H new ATOM 914 N LYS A 58 -10.436 -8.573 10.369 1.00 13.43 N ATOM 915 CA LYS A 58 -9.254 -9.028 9.665 1.00 32.42 C ATOM 916 C LYS A 58 -8.289 -9.773 10.582 1.00 3.15 C ATOM 917 O LYS A 58 -7.076 -9.588 10.548 1.00 33.10 O ATOM 918 CB LYS A 58 -8.553 -7.833 8.975 1.00 1.11 C ATOM 919 CG LYS A 58 -9.364 -7.229 7.816 1.00 23.42 C ATOM 920 CD LYS A 58 -8.559 -6.167 7.045 1.00 61.14 C ATOM 921 CE LYS A 58 -9.279 -5.568 5.835 1.00 43.52 C ATOM 922 NZ LYS A 58 -9.476 -6.589 4.787 1.00 4.44 N ATOM 0 H LYS A 58 -10.224 -7.887 11.094 1.00 13.43 H new ATOM 0 HA LYS A 58 -9.575 -9.738 8.903 1.00 32.42 H new ATOM 0 HB2 LYS A 58 -8.362 -7.057 9.716 1.00 1.11 H new ATOM 0 HB3 LYS A 58 -7.584 -8.159 8.598 1.00 1.11 H new ATOM 0 HG2 LYS A 58 -9.667 -8.022 7.132 1.00 23.42 H new ATOM 0 HG3 LYS A 58 -10.277 -6.780 8.207 1.00 23.42 H new ATOM 0 HD2 LYS A 58 -8.298 -5.361 7.731 1.00 61.14 H new ATOM 0 HD3 LYS A 58 -7.624 -6.614 6.709 1.00 61.14 H new ATOM 0 HE2 LYS A 58 -10.244 -5.165 6.143 1.00 43.52 H new ATOM 0 HE3 LYS A 58 -8.699 -4.736 5.435 1.00 43.52 H new ATOM 0 HZ1 LYS A 58 -9.873 -6.141 3.936 1.00 4.44 H new ATOM 0 HZ2 LYS A 58 -8.562 -7.027 4.553 1.00 4.44 H new ATOM 0 HZ3 LYS A 58 -10.132 -7.319 5.132 1.00 4.44 H new ATOM 936 N LEU A 59 -8.823 -10.693 11.414 1.00 55.22 N ATOM 937 CA LEU A 59 -8.050 -11.458 12.405 1.00 75.42 C ATOM 938 C LEU A 59 -7.575 -12.752 11.808 1.00 33.15 C ATOM 939 O LEU A 59 -6.708 -13.456 12.302 1.00 51.55 O ATOM 940 CB LEU A 59 -8.849 -11.849 13.663 1.00 54.11 C ATOM 941 CG LEU A 59 -9.403 -10.636 14.418 1.00 62.40 C ATOM 942 CD1 LEU A 59 -10.212 -11.063 15.656 1.00 72.44 C ATOM 943 CD2 LEU A 59 -8.476 -9.438 14.624 1.00 43.53 C ATOM 0 H LEU A 59 -9.816 -10.925 11.413 1.00 55.22 H new ATOM 0 HA LEU A 59 -7.236 -10.792 12.690 1.00 75.42 H new ATOM 0 HB2 LEU A 59 -9.675 -12.500 13.375 1.00 54.11 H new ATOM 0 HB3 LEU A 59 -8.208 -12.424 14.331 1.00 54.11 H new ATOM 0 HG LEU A 59 -10.102 -10.185 13.713 1.00 62.40 H new ATOM 0 HD11 LEU A 59 -10.590 -10.177 16.167 1.00 72.44 H new ATOM 0 HD12 LEU A 59 -11.050 -11.688 15.346 1.00 72.44 H new ATOM 0 HD13 LEU A 59 -9.570 -11.627 16.333 1.00 72.44 H new ATOM 0 HD21 LEU A 59 -9.005 -8.659 15.172 1.00 43.53 H new ATOM 0 HD22 LEU A 59 -7.599 -9.750 15.192 1.00 43.53 H new ATOM 0 HD23 LEU A 59 -8.162 -9.050 13.655 1.00 43.53 H new ATOM 955 N GLU A 60 -8.171 -13.041 10.660 1.00 22.11 N ATOM 956 CA GLU A 60 -7.929 -14.150 9.750 1.00 43.12 C ATOM 957 C GLU A 60 -6.534 -14.076 9.189 1.00 45.34 C ATOM 958 O GLU A 60 -5.872 -15.067 8.896 1.00 53.35 O ATOM 959 CB GLU A 60 -8.965 -14.098 8.609 1.00 32.01 C ATOM 960 CG GLU A 60 -10.361 -14.339 9.207 1.00 71.21 C ATOM 961 CD GLU A 60 -11.505 -14.327 8.198 1.00 62.41 C ATOM 962 OE1 GLU A 60 -11.484 -15.144 7.245 1.00 22.11 O ATOM 963 OE2 GLU A 60 -12.425 -13.488 8.409 1.00 44.20 O ATOM 0 H GLU A 60 -8.915 -12.440 10.307 1.00 22.11 H new ATOM 0 HA GLU A 60 -8.027 -15.091 10.292 1.00 43.12 H new ATOM 0 HB2 GLU A 60 -8.929 -13.130 8.108 1.00 32.01 H new ATOM 0 HB3 GLU A 60 -8.739 -14.854 7.857 1.00 32.01 H new ATOM 0 HG2 GLU A 60 -10.359 -15.301 9.720 1.00 71.21 H new ATOM 0 HG3 GLU A 60 -10.554 -13.576 9.961 1.00 71.21 H new ATOM 970 N LEU A 61 -6.123 -12.816 9.013 1.00 14.04 N ATOM 971 CA LEU A 61 -4.857 -12.343 8.492 1.00 50.30 C ATOM 972 C LEU A 61 -3.717 -12.659 9.460 1.00 40.24 C ATOM 973 O LEU A 61 -2.565 -12.823 9.063 1.00 25.44 O ATOM 974 CB LEU A 61 -4.834 -10.816 8.248 1.00 34.53 C ATOM 975 CG LEU A 61 -5.888 -10.198 7.300 1.00 42.33 C ATOM 976 CD1 LEU A 61 -5.283 -9.102 6.414 1.00 73.43 C ATOM 977 CD2 LEU A 61 -6.953 -11.085 6.627 1.00 61.10 C ATOM 0 H LEU A 61 -6.733 -12.036 9.258 1.00 14.04 H new ATOM 0 HA LEU A 61 -4.728 -12.860 7.541 1.00 50.30 H new ATOM 0 HB2 LEU A 61 -4.933 -10.325 9.216 1.00 34.53 H new ATOM 0 HB3 LEU A 61 -3.849 -10.559 7.859 1.00 34.53 H new ATOM 0 HG LEU A 61 -6.571 -9.735 8.013 1.00 42.33 H new ATOM 0 HD11 LEU A 61 -6.055 -8.693 5.763 1.00 73.43 H new ATOM 0 HD12 LEU A 61 -4.880 -8.308 7.042 1.00 73.43 H new ATOM 0 HD13 LEU A 61 -4.483 -9.525 5.807 1.00 73.43 H new ATOM 0 HD21 LEU A 61 -7.598 -10.468 6.002 1.00 61.10 H new ATOM 0 HD22 LEU A 61 -6.462 -11.838 6.010 1.00 61.10 H new ATOM 0 HD23 LEU A 61 -7.553 -11.577 7.392 1.00 61.10 H new ATOM 989 N LEU A 62 -4.041 -12.703 10.775 1.00 64.22 N ATOM 990 CA LEU A 62 -3.146 -12.911 11.896 1.00 35.44 C ATOM 991 C LEU A 62 -2.640 -14.341 11.918 1.00 24.22 C ATOM 992 O LEU A 62 -3.181 -15.251 11.292 1.00 53.24 O ATOM 993 CB LEU A 62 -3.837 -12.629 13.261 1.00 31.24 C ATOM 994 CG LEU A 62 -4.382 -11.192 13.382 1.00 25.12 C ATOM 995 CD1 LEU A 62 -5.280 -10.979 14.616 1.00 13.43 C ATOM 996 CD2 LEU A 62 -3.271 -10.130 13.365 1.00 15.55 C ATOM 0 H LEU A 62 -5.006 -12.584 11.082 1.00 64.22 H new ATOM 0 HA LEU A 62 -2.321 -12.211 11.762 1.00 35.44 H new ATOM 0 HB2 LEU A 62 -4.657 -13.334 13.398 1.00 31.24 H new ATOM 0 HB3 LEU A 62 -3.124 -12.809 14.066 1.00 31.24 H new ATOM 0 HG LEU A 62 -4.999 -11.063 12.493 1.00 25.12 H new ATOM 0 HD11 LEU A 62 -5.628 -9.946 14.639 1.00 13.43 H new ATOM 0 HD12 LEU A 62 -6.137 -11.650 14.562 1.00 13.43 H new ATOM 0 HD13 LEU A 62 -4.710 -11.190 15.521 1.00 13.43 H new ATOM 0 HD21 LEU A 62 -3.714 -9.138 13.453 1.00 15.55 H new ATOM 0 HD22 LEU A 62 -2.592 -10.300 14.201 1.00 15.55 H new ATOM 0 HD23 LEU A 62 -2.717 -10.198 12.429 1.00 15.55 H new ATOM 1008 N ASP A 63 -1.530 -14.577 12.636 1.00 32.04 N ATOM 1009 CA ASP A 63 -0.914 -15.880 12.683 1.00 21.15 C ATOM 1010 C ASP A 63 -1.711 -16.882 13.520 1.00 55.44 C ATOM 1011 O ASP A 63 -2.169 -16.575 14.615 1.00 44.54 O ATOM 1012 CB ASP A 63 0.553 -15.745 13.188 1.00 54.10 C ATOM 1013 CG ASP A 63 0.662 -15.116 14.577 1.00 71.13 C ATOM 1014 OD1 ASP A 63 0.378 -13.894 14.689 1.00 23.52 O ATOM 1015 OD2 ASP A 63 1.032 -15.856 15.525 1.00 64.14 O ATOM 0 H ASP A 63 -1.051 -13.867 13.189 1.00 32.04 H new ATOM 0 HA ASP A 63 -0.906 -16.284 11.671 1.00 21.15 H new ATOM 0 HB2 ASP A 63 1.015 -16.732 13.207 1.00 54.10 H new ATOM 0 HB3 ASP A 63 1.119 -15.142 12.479 1.00 54.10 H new ATOM 1020 N GLN A 64 -1.843 -18.141 13.042 1.00 12.14 N ATOM 1021 CA GLN A 64 -2.573 -19.201 13.720 1.00 62.34 C ATOM 1022 C GLN A 64 -1.985 -19.570 15.078 1.00 64.10 C ATOM 1023 O GLN A 64 -2.697 -19.973 15.997 1.00 51.33 O ATOM 1024 CB GLN A 64 -2.701 -20.439 12.793 1.00 25.11 C ATOM 1025 CG GLN A 64 -3.506 -21.618 13.392 1.00 5.05 C ATOM 1026 CD GLN A 64 -4.944 -21.232 13.769 1.00 1.40 C ATOM 1027 OE1 GLN A 64 -5.816 -21.002 12.928 1.00 65.45 O ATOM 1028 NE2 GLN A 64 -5.206 -21.139 15.099 1.00 34.41 N ATOM 0 H GLN A 64 -1.432 -18.439 12.157 1.00 12.14 H new ATOM 0 HA GLN A 64 -3.570 -18.816 13.934 1.00 62.34 H new ATOM 0 HB2 GLN A 64 -3.175 -20.130 11.861 1.00 25.11 H new ATOM 0 HB3 GLN A 64 -1.701 -20.791 12.541 1.00 25.11 H new ATOM 0 HG2 GLN A 64 -3.532 -22.436 12.672 1.00 5.05 H new ATOM 0 HG3 GLN A 64 -2.991 -21.989 14.278 1.00 5.05 H new ATOM 0 HE21 GLN A 64 -4.471 -21.333 15.778 1.00 34.41 H new ATOM 0 HE22 GLN A 64 -6.138 -20.875 15.418 1.00 34.41 H new ATOM 1037 N ASP A 65 -0.660 -19.377 15.248 1.00 52.41 N ATOM 1038 CA ASP A 65 0.093 -19.632 16.464 1.00 54.21 C ATOM 1039 C ASP A 65 -0.432 -18.868 17.677 1.00 44.21 C ATOM 1040 O ASP A 65 -0.433 -19.410 18.778 1.00 64.30 O ATOM 1041 CB ASP A 65 1.582 -19.251 16.271 1.00 13.14 C ATOM 1042 CG ASP A 65 2.254 -20.215 15.306 1.00 52.11 C ATOM 1043 OD1 ASP A 65 2.440 -21.400 15.682 1.00 72.42 O ATOM 1044 OD2 ASP A 65 2.560 -19.769 14.169 1.00 62.21 O ATOM 0 H ASP A 65 -0.070 -19.021 14.496 1.00 52.41 H new ATOM 0 HA ASP A 65 -0.022 -20.699 16.657 1.00 54.21 H new ATOM 0 HB2 ASP A 65 1.657 -18.233 15.889 1.00 13.14 H new ATOM 0 HB3 ASP A 65 2.097 -19.270 17.232 1.00 13.14 H new ATOM 1049 N MET A 66 -0.896 -17.601 17.524 1.00 11.14 N ATOM 1050 CA MET A 66 -1.431 -16.850 18.654 1.00 60.24 C ATOM 1051 C MET A 66 -2.836 -17.295 19.030 1.00 70.21 C ATOM 1052 O MET A 66 -3.294 -16.989 20.128 1.00 21.41 O ATOM 1053 CB MET A 66 -1.430 -15.312 18.424 1.00 44.22 C ATOM 1054 CG MET A 66 -2.470 -14.731 17.445 1.00 11.02 C ATOM 1055 SD MET A 66 -2.342 -12.934 17.177 1.00 42.22 S ATOM 1056 CE MET A 66 -2.965 -12.407 18.801 1.00 54.22 C ATOM 0 H MET A 66 -0.905 -17.097 16.637 1.00 11.14 H new ATOM 0 HA MET A 66 -0.753 -17.071 19.478 1.00 60.24 H new ATOM 0 HB2 MET A 66 -1.573 -14.829 19.390 1.00 44.22 H new ATOM 0 HB3 MET A 66 -0.440 -15.027 18.069 1.00 44.22 H new ATOM 0 HG2 MET A 66 -2.367 -15.236 16.485 1.00 11.02 H new ATOM 0 HG3 MET A 66 -3.468 -14.959 17.819 1.00 11.02 H new ATOM 0 HE1 MET A 66 -3.223 -11.348 18.766 1.00 54.22 H new ATOM 0 HE2 MET A 66 -3.851 -12.988 19.057 1.00 54.22 H new ATOM 0 HE3 MET A 66 -2.195 -12.568 19.556 1.00 54.22 H new ATOM 1066 N ASN A 67 -3.496 -18.059 18.120 1.00 75.21 N ATOM 1067 CA ASN A 67 -4.835 -18.632 18.161 1.00 73.43 C ATOM 1068 C ASN A 67 -6.013 -17.655 18.075 1.00 3.12 C ATOM 1069 O ASN A 67 -7.118 -18.003 18.486 1.00 51.32 O ATOM 1070 CB ASN A 67 -5.045 -19.539 19.427 1.00 22.21 C ATOM 1071 CG ASN A 67 -4.149 -20.783 19.549 1.00 12.51 C ATOM 1072 OD1 ASN A 67 -4.111 -21.381 20.627 1.00 12.04 O ATOM 1073 ND2 ASN A 67 -3.431 -21.205 18.479 1.00 63.35 N ATOM 0 H ASN A 67 -3.034 -18.307 17.245 1.00 75.21 H new ATOM 0 HA ASN A 67 -4.857 -19.212 17.238 1.00 73.43 H new ATOM 0 HB2 ASN A 67 -4.893 -18.924 20.314 1.00 22.21 H new ATOM 0 HB3 ASN A 67 -6.084 -19.867 19.440 1.00 22.21 H new ATOM 0 HD21 ASN A 67 -2.842 -22.035 18.555 1.00 63.35 H new ATOM 0 HD22 ASN A 67 -3.480 -20.693 17.598 1.00 63.35 H new ATOM 1080 N LEU A 68 -5.867 -16.433 17.494 1.00 74.24 N ATOM 1081 CA LEU A 68 -6.999 -15.509 17.407 1.00 24.44 C ATOM 1082 C LEU A 68 -7.948 -15.866 16.272 1.00 12.32 C ATOM 1083 O LEU A 68 -7.547 -15.914 15.112 1.00 22.22 O ATOM 1084 CB LEU A 68 -6.552 -14.037 17.186 1.00 32.31 C ATOM 1085 CG LEU A 68 -7.489 -12.926 17.741 1.00 53.40 C ATOM 1086 CD1 LEU A 68 -7.194 -11.518 17.234 1.00 72.13 C ATOM 1087 CD2 LEU A 68 -8.941 -13.255 18.146 1.00 2.55 C ATOM 0 H LEU A 68 -4.996 -16.084 17.093 1.00 74.24 H new ATOM 0 HA LEU A 68 -7.506 -15.603 18.367 1.00 24.44 H new ATOM 0 HB2 LEU A 68 -5.569 -13.909 17.639 1.00 32.31 H new ATOM 0 HB3 LEU A 68 -6.432 -13.876 16.115 1.00 32.31 H new ATOM 0 HG LEU A 68 -7.137 -12.916 18.773 1.00 53.40 H new ATOM 0 HD11 LEU A 68 -7.900 -10.816 17.678 1.00 72.13 H new ATOM 0 HD12 LEU A 68 -6.179 -11.236 17.513 1.00 72.13 H new ATOM 0 HD13 LEU A 68 -7.292 -11.494 16.149 1.00 72.13 H new ATOM 0 HD21 LEU A 68 -9.431 -12.351 18.508 1.00 2.55 H new ATOM 0 HD22 LEU A 68 -9.482 -13.640 17.281 1.00 2.55 H new ATOM 0 HD23 LEU A 68 -8.937 -14.007 18.935 1.00 2.55 H new ATOM 1099 N HIS A 69 -9.249 -16.077 16.576 1.00 1.41 N ATOM 1100 CA HIS A 69 -10.278 -16.125 15.556 1.00 52.44 C ATOM 1101 C HIS A 69 -11.517 -15.440 16.068 1.00 23.34 C ATOM 1102 O HIS A 69 -11.691 -15.256 17.273 1.00 75.43 O ATOM 1103 CB HIS A 69 -10.620 -17.567 15.088 1.00 13.35 C ATOM 1104 CG HIS A 69 -9.542 -18.227 14.264 1.00 24.14 C ATOM 1105 ND1 HIS A 69 -9.502 -18.043 12.909 1.00 34.15 N ATOM 1106 CD2 HIS A 69 -8.517 -19.058 14.575 1.00 53.43 C ATOM 1107 CE1 HIS A 69 -8.504 -18.747 12.409 1.00 53.35 C ATOM 1108 NE2 HIS A 69 -7.893 -19.376 13.395 1.00 50.23 N ATOM 0 H HIS A 69 -9.594 -16.215 17.526 1.00 1.41 H new ATOM 0 HA HIS A 69 -9.885 -15.607 14.681 1.00 52.44 H new ATOM 0 HB2 HIS A 69 -10.818 -18.183 15.965 1.00 13.35 H new ATOM 0 HB3 HIS A 69 -11.540 -17.538 14.504 1.00 13.35 H new ATOM 0 HD2 HIS A 69 -8.244 -19.403 15.561 1.00 53.43 H new ATOM 0 HE1 HIS A 69 -8.232 -18.800 11.365 1.00 53.35 H new ATOM 0 HE2 HIS A 69 -7.089 -19.996 13.296 1.00 50.23 H new ATOM 1117 N HIS A 70 -12.399 -14.997 15.138 1.00 24.20 N ATOM 1118 CA HIS A 70 -13.535 -14.146 15.443 1.00 23.34 C ATOM 1119 C HIS A 70 -14.537 -14.920 16.289 1.00 70.13 C ATOM 1120 O HIS A 70 -14.885 -16.058 15.983 1.00 30.14 O ATOM 1121 CB HIS A 70 -14.342 -13.720 14.200 1.00 34.35 C ATOM 1122 CG HIS A 70 -13.583 -13.085 13.070 1.00 63.40 C ATOM 1123 ND1 HIS A 70 -12.961 -11.867 13.085 1.00 30.22 N ATOM 1124 CD2 HIS A 70 -13.502 -13.548 11.802 1.00 52.23 C ATOM 1125 CE1 HIS A 70 -12.514 -11.610 11.868 1.00 75.30 C ATOM 1126 NE2 HIS A 70 -12.840 -12.606 11.070 1.00 4.45 N ATOM 0 H HIS A 70 -12.325 -15.234 14.149 1.00 24.20 H new ATOM 0 HA HIS A 70 -13.109 -13.272 15.935 1.00 23.34 H new ATOM 0 HB2 HIS A 70 -14.852 -14.601 13.811 1.00 34.35 H new ATOM 0 HB3 HIS A 70 -15.114 -13.021 14.522 1.00 34.35 H new ATOM 0 HD2 HIS A 70 -13.889 -14.488 11.437 1.00 52.23 H new ATOM 0 HE1 HIS A 70 -11.969 -10.725 11.575 1.00 75.30 H new ATOM 0 HE2 HIS A 70 -12.633 -12.663 10.073 1.00 4.45 H new ATOM 1135 N GLY A 71 -15.022 -14.318 17.387 1.00 74.51 N ATOM 1136 CA GLY A 71 -16.091 -14.895 18.202 1.00 14.12 C ATOM 1137 C GLY A 71 -15.622 -15.919 19.205 1.00 40.31 C ATOM 1138 O GLY A 71 -16.343 -16.273 20.131 1.00 11.42 O ATOM 0 H GLY A 71 -14.682 -13.420 17.730 1.00 74.51 H new ATOM 0 HA2 GLY A 71 -16.602 -14.091 18.732 1.00 14.12 H new ATOM 0 HA3 GLY A 71 -16.825 -15.359 17.543 1.00 14.12 H new ATOM 1142 N LYS A 72 -14.368 -16.397 19.068 1.00 71.20 N ATOM 1143 CA LYS A 72 -13.797 -17.505 19.809 1.00 25.12 C ATOM 1144 C LYS A 72 -13.123 -17.023 21.074 1.00 70.01 C ATOM 1145 O LYS A 72 -12.363 -17.745 21.713 1.00 43.51 O ATOM 1146 CB LYS A 72 -12.759 -18.280 18.955 1.00 63.33 C ATOM 1147 CG LYS A 72 -13.324 -18.879 17.653 1.00 61.25 C ATOM 1148 CD LYS A 72 -14.484 -19.865 17.864 1.00 71.51 C ATOM 1149 CE LYS A 72 -15.050 -20.430 16.560 1.00 13.45 C ATOM 1150 NZ LYS A 72 -14.142 -21.450 16.001 1.00 64.02 N ATOM 0 H LYS A 72 -13.708 -15.992 18.404 1.00 71.20 H new ATOM 0 HA LYS A 72 -14.620 -18.171 20.066 1.00 25.12 H new ATOM 0 HB2 LYS A 72 -11.938 -17.608 18.705 1.00 63.33 H new ATOM 0 HB3 LYS A 72 -12.339 -19.085 19.558 1.00 63.33 H new ATOM 0 HG2 LYS A 72 -13.665 -18.067 17.011 1.00 61.25 H new ATOM 0 HG3 LYS A 72 -12.520 -19.389 17.122 1.00 61.25 H new ATOM 0 HD2 LYS A 72 -14.140 -20.689 18.489 1.00 71.51 H new ATOM 0 HD3 LYS A 72 -15.283 -19.363 18.410 1.00 71.51 H new ATOM 0 HE2 LYS A 72 -16.031 -20.869 16.743 1.00 13.45 H new ATOM 0 HE3 LYS A 72 -15.190 -19.625 15.839 1.00 13.45 H new ATOM 0 HZ1 LYS A 72 -14.542 -21.823 15.116 1.00 64.02 H new ATOM 0 HZ2 LYS A 72 -13.214 -21.021 15.808 1.00 64.02 H new ATOM 0 HZ3 LYS A 72 -14.029 -22.226 16.684 1.00 64.02 H new ATOM 1164 N ALA A 73 -13.414 -15.775 21.481 1.00 25.34 N ATOM 1165 CA ALA A 73 -12.755 -15.014 22.512 1.00 72.13 C ATOM 1166 C ALA A 73 -12.741 -15.701 23.845 1.00 21.15 C ATOM 1167 O ALA A 73 -11.726 -15.691 24.514 1.00 45.11 O ATOM 1168 CB ALA A 73 -13.441 -13.661 22.735 1.00 63.44 C ATOM 0 H ALA A 73 -14.176 -15.249 21.054 1.00 25.34 H new ATOM 0 HA ALA A 73 -11.734 -14.896 22.149 1.00 72.13 H new ATOM 0 HB1 ALA A 73 -12.918 -13.113 23.519 1.00 63.44 H new ATOM 0 HB2 ALA A 73 -13.416 -13.084 21.811 1.00 63.44 H new ATOM 0 HB3 ALA A 73 -14.477 -13.823 23.034 1.00 63.44 H new ATOM 1174 N MET A 74 -13.834 -16.359 24.269 1.00 35.31 N ATOM 1175 CA MET A 74 -13.911 -16.959 25.592 1.00 74.24 C ATOM 1176 C MET A 74 -12.833 -18.016 25.820 1.00 10.34 C ATOM 1177 O MET A 74 -12.216 -18.090 26.880 1.00 71.40 O ATOM 1178 CB MET A 74 -15.282 -17.643 25.787 1.00 33.51 C ATOM 1179 CG MET A 74 -16.456 -16.648 25.833 1.00 40.42 C ATOM 1180 SD MET A 74 -18.074 -17.438 26.076 1.00 61.31 S ATOM 1181 CE MET A 74 -18.993 -15.873 26.091 1.00 60.04 C ATOM 0 H MET A 74 -14.674 -16.483 23.704 1.00 35.31 H new ATOM 0 HA MET A 74 -13.766 -16.147 26.304 1.00 74.24 H new ATOM 0 HB2 MET A 74 -15.446 -18.351 24.975 1.00 33.51 H new ATOM 0 HB3 MET A 74 -15.265 -18.218 26.713 1.00 33.51 H new ATOM 0 HG2 MET A 74 -16.285 -15.935 26.639 1.00 40.42 H new ATOM 0 HG3 MET A 74 -16.475 -16.079 24.903 1.00 40.42 H new ATOM 0 HE1 MET A 74 -20.055 -16.076 26.231 1.00 60.04 H new ATOM 0 HE2 MET A 74 -18.632 -15.247 26.907 1.00 60.04 H new ATOM 0 HE3 MET A 74 -18.845 -15.355 25.144 1.00 60.04 H new ATOM 1191 N GLU A 75 -12.593 -18.848 24.789 1.00 0.12 N ATOM 1192 CA GLU A 75 -11.572 -19.885 24.802 1.00 3.21 C ATOM 1193 C GLU A 75 -10.178 -19.409 24.541 1.00 13.23 C ATOM 1194 O GLU A 75 -9.202 -19.751 25.205 1.00 53.33 O ATOM 1195 CB GLU A 75 -11.953 -21.014 23.851 1.00 13.51 C ATOM 1196 CG GLU A 75 -12.118 -20.664 22.380 1.00 72.41 C ATOM 1197 CD GLU A 75 -12.544 -21.844 21.512 1.00 51.15 C ATOM 1198 OE1 GLU A 75 -11.746 -22.808 21.390 1.00 21.35 O ATOM 1199 OE2 GLU A 75 -13.672 -21.781 20.957 1.00 63.11 O ATOM 0 H GLU A 75 -13.117 -18.809 23.915 1.00 0.12 H new ATOM 0 HA GLU A 75 -11.547 -20.254 25.827 1.00 3.21 H new ATOM 0 HB2 GLU A 75 -11.193 -21.791 23.929 1.00 13.51 H new ATOM 0 HB3 GLU A 75 -12.890 -21.448 24.201 1.00 13.51 H new ATOM 0 HG2 GLU A 75 -12.858 -19.869 22.286 1.00 72.41 H new ATOM 0 HG3 GLU A 75 -11.175 -20.268 22.002 1.00 72.41 H new ATOM 1206 N PHE A 76 -10.136 -18.521 23.557 1.00 31.22 N ATOM 1207 CA PHE A 76 -8.974 -17.772 23.091 1.00 1.11 C ATOM 1208 C PHE A 76 -8.343 -16.913 24.180 1.00 2.52 C ATOM 1209 O PHE A 76 -7.128 -16.919 24.357 1.00 64.10 O ATOM 1210 CB PHE A 76 -9.370 -16.935 21.837 1.00 1.33 C ATOM 1211 CG PHE A 76 -8.334 -15.935 21.403 1.00 21.10 C ATOM 1212 CD1 PHE A 76 -7.023 -16.289 21.065 1.00 51.42 C ATOM 1213 CD2 PHE A 76 -8.684 -14.579 21.420 1.00 61.45 C ATOM 1214 CE1 PHE A 76 -6.086 -15.290 20.774 1.00 44.54 C ATOM 1215 CE2 PHE A 76 -7.733 -13.584 21.208 1.00 71.34 C ATOM 1216 CZ PHE A 76 -6.428 -13.938 20.874 1.00 73.11 C ATOM 0 H PHE A 76 -10.974 -18.287 23.024 1.00 31.22 H new ATOM 0 HA PHE A 76 -8.200 -18.486 22.812 1.00 1.11 H new ATOM 0 HB2 PHE A 76 -9.569 -17.616 21.009 1.00 1.33 H new ATOM 0 HB3 PHE A 76 -10.301 -16.408 22.047 1.00 1.33 H new ATOM 0 HD1 PHE A 76 -6.735 -17.329 21.029 1.00 51.42 H new ATOM 0 HD2 PHE A 76 -9.711 -14.300 21.601 1.00 61.45 H new ATOM 0 HE1 PHE A 76 -5.088 -15.567 20.469 1.00 44.54 H new ATOM 0 HE2 PHE A 76 -8.006 -12.543 21.302 1.00 71.34 H new ATOM 0 HZ PHE A 76 -5.686 -13.174 20.694 1.00 73.11 H new ATOM 1226 N ALA A 77 -9.149 -16.183 24.970 1.00 12.15 N ATOM 1227 CA ALA A 77 -8.692 -15.343 26.049 1.00 53.44 C ATOM 1228 C ALA A 77 -7.916 -16.108 27.117 1.00 42.31 C ATOM 1229 O ALA A 77 -6.880 -15.650 27.599 1.00 53.15 O ATOM 1230 CB ALA A 77 -9.923 -14.642 26.649 1.00 53.24 C ATOM 0 H ALA A 77 -10.163 -16.173 24.858 1.00 12.15 H new ATOM 0 HA ALA A 77 -7.986 -14.614 25.653 1.00 53.44 H new ATOM 0 HB1 ALA A 77 -9.610 -13.997 27.470 1.00 53.24 H new ATOM 0 HB2 ALA A 77 -10.410 -14.041 25.881 1.00 53.24 H new ATOM 0 HB3 ALA A 77 -10.622 -15.390 27.022 1.00 53.24 H new ATOM 1236 N MET A 78 -8.382 -17.333 27.464 1.00 10.24 N ATOM 1237 CA MET A 78 -7.709 -18.248 28.370 1.00 63.11 C ATOM 1238 C MET A 78 -6.352 -18.711 27.864 1.00 73.02 C ATOM 1239 O MET A 78 -5.405 -18.829 28.640 1.00 5.04 O ATOM 1240 CB MET A 78 -8.588 -19.476 28.721 1.00 22.23 C ATOM 1241 CG MET A 78 -9.816 -19.100 29.578 1.00 24.05 C ATOM 1242 SD MET A 78 -10.774 -20.521 30.196 1.00 40.00 S ATOM 1243 CE MET A 78 -11.473 -21.082 28.618 1.00 33.15 C ATOM 0 H MET A 78 -9.260 -17.705 27.103 1.00 10.24 H new ATOM 0 HA MET A 78 -7.538 -17.668 29.277 1.00 63.11 H new ATOM 0 HB2 MET A 78 -8.924 -19.953 27.800 1.00 22.23 H new ATOM 0 HB3 MET A 78 -7.985 -20.208 29.258 1.00 22.23 H new ATOM 0 HG2 MET A 78 -9.481 -18.507 30.429 1.00 24.05 H new ATOM 0 HG3 MET A 78 -10.475 -18.464 28.986 1.00 24.05 H new ATOM 0 HE1 MET A 78 -12.182 -21.889 28.801 1.00 33.15 H new ATOM 0 HE2 MET A 78 -11.985 -20.252 28.131 1.00 33.15 H new ATOM 0 HE3 MET A 78 -10.672 -21.442 27.973 1.00 33.15 H new ATOM 1253 N LYS A 79 -6.194 -18.930 26.534 1.00 51.31 N ATOM 1254 CA LYS A 79 -4.917 -19.286 25.914 1.00 20.44 C ATOM 1255 C LYS A 79 -3.851 -18.208 26.117 1.00 34.35 C ATOM 1256 O LYS A 79 -2.658 -18.499 26.164 1.00 34.21 O ATOM 1257 CB LYS A 79 -5.067 -19.532 24.386 1.00 74.41 C ATOM 1258 CG LYS A 79 -5.887 -20.779 24.006 1.00 11.11 C ATOM 1259 CD LYS A 79 -5.148 -22.102 24.266 1.00 14.12 C ATOM 1260 CE LYS A 79 -5.984 -23.332 23.911 1.00 23.45 C ATOM 1261 NZ LYS A 79 -5.191 -24.554 24.151 1.00 2.31 N ATOM 0 H LYS A 79 -6.963 -18.861 25.867 1.00 51.31 H new ATOM 0 HA LYS A 79 -4.601 -20.204 26.409 1.00 20.44 H new ATOM 0 HB2 LYS A 79 -5.535 -18.657 23.936 1.00 74.41 H new ATOM 0 HB3 LYS A 79 -4.073 -19.622 23.948 1.00 74.41 H new ATOM 0 HG2 LYS A 79 -6.820 -20.776 24.570 1.00 11.11 H new ATOM 0 HG3 LYS A 79 -6.152 -20.722 22.950 1.00 11.11 H new ATOM 0 HD2 LYS A 79 -4.225 -22.117 23.686 1.00 14.12 H new ATOM 0 HD3 LYS A 79 -4.864 -22.153 25.317 1.00 14.12 H new ATOM 0 HE2 LYS A 79 -6.893 -23.352 24.512 1.00 23.45 H new ATOM 0 HE3 LYS A 79 -6.293 -23.286 22.867 1.00 23.45 H new ATOM 0 HZ1 LYS A 79 -5.760 -25.390 23.909 1.00 2.31 H new ATOM 0 HZ2 LYS A 79 -4.336 -24.535 23.560 1.00 2.31 H new ATOM 0 HZ3 LYS A 79 -4.918 -24.599 25.153 1.00 2.31 H new ATOM 1275 N HIS A 80 -4.273 -16.934 26.274 1.00 31.11 N ATOM 1276 CA HIS A 80 -3.411 -15.796 26.536 1.00 40.04 C ATOM 1277 C HIS A 80 -3.248 -15.464 28.007 1.00 5.04 C ATOM 1278 O HIS A 80 -2.689 -14.425 28.354 1.00 52.34 O ATOM 1279 CB HIS A 80 -3.915 -14.557 25.771 1.00 1.12 C ATOM 1280 CG HIS A 80 -3.670 -14.687 24.292 1.00 12.42 C ATOM 1281 ND1 HIS A 80 -3.983 -13.709 23.389 1.00 63.15 N ATOM 1282 CD2 HIS A 80 -3.143 -15.716 23.589 1.00 74.12 C ATOM 1283 CE1 HIS A 80 -3.641 -14.125 22.183 1.00 24.20 C ATOM 1284 NE2 HIS A 80 -3.147 -15.345 22.274 1.00 62.35 N ATOM 0 H HIS A 80 -5.259 -16.678 26.217 1.00 31.11 H new ATOM 0 HA HIS A 80 -2.422 -16.086 26.180 1.00 40.04 H new ATOM 0 HB2 HIS A 80 -4.981 -14.423 25.954 1.00 1.12 H new ATOM 0 HB3 HIS A 80 -3.413 -13.666 26.148 1.00 1.12 H new ATOM 0 HD2 HIS A 80 -2.787 -16.653 23.991 1.00 74.12 H new ATOM 0 HE1 HIS A 80 -3.748 -13.558 21.270 1.00 24.20 H new ATOM 0 HE2 HIS A 80 -2.822 -15.916 21.493 1.00 62.35 H new ATOM 1293 N GLY A 81 -3.685 -16.353 28.926 1.00 10.01 N ATOM 1294 CA GLY A 81 -3.358 -16.220 30.339 1.00 14.22 C ATOM 1295 C GLY A 81 -4.392 -15.505 31.155 1.00 11.43 C ATOM 1296 O GLY A 81 -4.215 -15.333 32.359 1.00 2.30 O ATOM 0 H GLY A 81 -4.263 -17.164 28.703 1.00 10.01 H new ATOM 0 HA2 GLY A 81 -3.207 -17.215 30.759 1.00 14.22 H new ATOM 0 HA3 GLY A 81 -2.411 -15.689 30.431 1.00 14.22 H new ATOM 1300 N ALA A 82 -5.529 -15.103 30.550 1.00 2.12 N ATOM 1301 CA ALA A 82 -6.709 -14.755 31.325 1.00 15.52 C ATOM 1302 C ALA A 82 -7.290 -15.984 32.032 1.00 31.04 C ATOM 1303 O ALA A 82 -7.269 -17.093 31.507 1.00 52.11 O ATOM 1304 CB ALA A 82 -7.801 -14.134 30.426 1.00 25.32 C ATOM 0 H ALA A 82 -5.642 -15.016 29.540 1.00 2.12 H new ATOM 0 HA ALA A 82 -6.396 -14.025 32.071 1.00 15.52 H new ATOM 0 HB1 ALA A 82 -8.672 -13.883 31.032 1.00 25.32 H new ATOM 0 HB2 ALA A 82 -7.414 -13.230 29.955 1.00 25.32 H new ATOM 0 HB3 ALA A 82 -8.089 -14.850 29.656 1.00 25.32 H new ATOM 1310 N ASP A 83 -7.839 -15.832 33.261 1.00 74.03 N ATOM 1311 CA ASP A 83 -8.576 -16.917 33.886 1.00 23.22 C ATOM 1312 C ASP A 83 -10.001 -16.906 33.352 1.00 73.00 C ATOM 1313 O ASP A 83 -10.400 -15.993 32.632 1.00 3.41 O ATOM 1314 CB ASP A 83 -8.571 -16.836 35.432 1.00 63.15 C ATOM 1315 CG ASP A 83 -7.148 -16.958 35.967 1.00 71.12 C ATOM 1316 OD1 ASP A 83 -6.678 -15.980 36.603 1.00 65.04 O ATOM 1317 OD2 ASP A 83 -6.544 -18.044 35.774 1.00 62.22 O ATOM 0 H ASP A 83 -7.779 -14.979 33.817 1.00 74.03 H new ATOM 0 HA ASP A 83 -8.081 -17.854 33.633 1.00 23.22 H new ATOM 0 HB2 ASP A 83 -9.007 -15.891 35.754 1.00 63.15 H new ATOM 0 HB3 ASP A 83 -9.191 -17.631 35.846 1.00 63.15 H new ATOM 1322 N GLU A 84 -10.821 -17.932 33.676 1.00 54.01 N ATOM 1323 CA GLU A 84 -12.137 -18.100 33.072 1.00 73.51 C ATOM 1324 C GLU A 84 -13.099 -16.977 33.425 1.00 1.52 C ATOM 1325 O GLU A 84 -13.945 -16.581 32.627 1.00 72.50 O ATOM 1326 CB GLU A 84 -12.756 -19.485 33.422 1.00 42.55 C ATOM 1327 CG GLU A 84 -13.070 -19.728 34.919 1.00 13.23 C ATOM 1328 CD GLU A 84 -13.641 -21.121 35.212 1.00 11.14 C ATOM 1329 OE1 GLU A 84 -13.917 -21.374 36.413 1.00 71.35 O ATOM 1330 OE2 GLU A 84 -13.798 -21.930 34.262 1.00 75.31 O ATOM 0 H GLU A 84 -10.581 -18.652 34.357 1.00 54.01 H new ATOM 0 HA GLU A 84 -11.979 -18.056 31.994 1.00 73.51 H new ATOM 0 HB2 GLU A 84 -13.679 -19.603 32.854 1.00 42.55 H new ATOM 0 HB3 GLU A 84 -12.072 -20.263 33.084 1.00 42.55 H new ATOM 0 HG2 GLU A 84 -12.158 -19.590 35.499 1.00 13.23 H new ATOM 0 HG3 GLU A 84 -13.781 -18.975 35.259 1.00 13.23 H new ATOM 1337 N ALA A 85 -12.937 -16.413 34.640 1.00 40.21 N ATOM 1338 CA ALA A 85 -13.653 -15.256 35.128 1.00 25.42 C ATOM 1339 C ALA A 85 -13.272 -13.981 34.385 1.00 12.22 C ATOM 1340 O ALA A 85 -14.117 -13.213 33.936 1.00 21.40 O ATOM 1341 CB ALA A 85 -13.370 -15.116 36.635 1.00 1.52 C ATOM 0 H ALA A 85 -12.273 -16.779 35.322 1.00 40.21 H new ATOM 0 HA ALA A 85 -14.719 -15.402 34.952 1.00 25.42 H new ATOM 0 HB1 ALA A 85 -13.901 -14.248 37.026 1.00 1.52 H new ATOM 0 HB2 ALA A 85 -13.709 -16.013 37.154 1.00 1.52 H new ATOM 0 HB3 ALA A 85 -12.299 -14.988 36.794 1.00 1.52 H new ATOM 1347 N MET A 86 -11.954 -13.762 34.197 1.00 22.31 N ATOM 1348 CA MET A 86 -11.351 -12.671 33.470 1.00 13.54 C ATOM 1349 C MET A 86 -11.694 -12.679 31.991 1.00 65.42 C ATOM 1350 O MET A 86 -11.943 -11.637 31.387 1.00 3.54 O ATOM 1351 CB MET A 86 -9.824 -12.719 33.607 1.00 4.23 C ATOM 1352 CG MET A 86 -9.253 -12.379 35.000 1.00 12.30 C ATOM 1353 SD MET A 86 -9.692 -13.406 36.432 1.00 31.43 S ATOM 1354 CE MET A 86 -8.639 -12.474 37.581 1.00 70.01 C ATOM 0 H MET A 86 -11.253 -14.395 34.582 1.00 22.31 H new ATOM 0 HA MET A 86 -11.756 -11.759 33.908 1.00 13.54 H new ATOM 0 HB2 MET A 86 -9.487 -13.719 33.333 1.00 4.23 H new ATOM 0 HB3 MET A 86 -9.393 -12.028 32.882 1.00 4.23 H new ATOM 0 HG2 MET A 86 -8.166 -12.386 34.916 1.00 12.30 H new ATOM 0 HG3 MET A 86 -9.548 -11.356 35.231 1.00 12.30 H new ATOM 0 HE1 MET A 86 -8.718 -12.906 38.579 1.00 70.01 H new ATOM 0 HE2 MET A 86 -7.603 -12.522 37.246 1.00 70.01 H new ATOM 0 HE3 MET A 86 -8.963 -11.434 37.609 1.00 70.01 H new ATOM 1364 N ALA A 87 -11.710 -13.880 31.377 1.00 53.42 N ATOM 1365 CA ALA A 87 -12.047 -14.093 29.982 1.00 34.02 C ATOM 1366 C ALA A 87 -13.442 -13.601 29.626 1.00 40.12 C ATOM 1367 O ALA A 87 -13.630 -12.897 28.635 1.00 35.31 O ATOM 1368 CB ALA A 87 -11.958 -15.600 29.661 1.00 63.23 C ATOM 0 H ALA A 87 -11.480 -14.745 31.866 1.00 53.42 H new ATOM 0 HA ALA A 87 -11.334 -13.517 29.391 1.00 34.02 H new ATOM 0 HB1 ALA A 87 -12.211 -15.764 28.613 1.00 63.23 H new ATOM 0 HB2 ALA A 87 -10.944 -15.953 29.850 1.00 63.23 H new ATOM 0 HB3 ALA A 87 -12.656 -16.148 30.293 1.00 63.23 H new ATOM 1374 N LYS A 88 -14.445 -13.924 30.473 1.00 2.41 N ATOM 1375 CA LYS A 88 -15.811 -13.450 30.323 1.00 54.23 C ATOM 1376 C LYS A 88 -15.974 -12.013 30.783 1.00 51.21 C ATOM 1377 O LYS A 88 -16.806 -11.277 30.259 1.00 4.02 O ATOM 1378 CB LYS A 88 -16.846 -14.366 31.037 1.00 35.22 C ATOM 1379 CG LYS A 88 -16.753 -14.443 32.571 1.00 44.11 C ATOM 1380 CD LYS A 88 -17.830 -15.342 33.203 1.00 72.24 C ATOM 1381 CE LYS A 88 -19.218 -14.702 33.207 1.00 65.51 C ATOM 1382 NZ LYS A 88 -20.202 -15.643 33.777 1.00 10.00 N ATOM 0 H LYS A 88 -14.312 -14.528 31.284 1.00 2.41 H new ATOM 0 HA LYS A 88 -16.017 -13.490 29.253 1.00 54.23 H new ATOM 0 HB2 LYS A 88 -17.846 -14.021 30.773 1.00 35.22 H new ATOM 0 HB3 LYS A 88 -16.741 -15.375 30.638 1.00 35.22 H new ATOM 0 HG2 LYS A 88 -15.768 -14.817 32.850 1.00 44.11 H new ATOM 0 HG3 LYS A 88 -16.841 -13.438 32.984 1.00 44.11 H new ATOM 0 HD2 LYS A 88 -17.873 -16.285 32.658 1.00 72.24 H new ATOM 0 HD3 LYS A 88 -17.542 -15.578 34.227 1.00 72.24 H new ATOM 0 HE2 LYS A 88 -19.202 -13.781 33.790 1.00 65.51 H new ATOM 0 HE3 LYS A 88 -19.506 -14.431 32.191 1.00 65.51 H new ATOM 0 HZ1 LYS A 88 -21.144 -15.202 33.777 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -20.226 -16.510 33.204 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -19.931 -15.880 34.753 1.00 10.00 H new ATOM 1396 N GLN A 89 -15.135 -11.552 31.739 1.00 54.21 N ATOM 1397 CA GLN A 89 -15.076 -10.181 32.198 1.00 63.33 C ATOM 1398 C GLN A 89 -14.736 -9.172 31.131 1.00 61.24 C ATOM 1399 O GLN A 89 -15.388 -8.134 31.072 1.00 4.44 O ATOM 1400 CB GLN A 89 -14.106 -10.018 33.394 1.00 72.10 C ATOM 1401 CG GLN A 89 -13.935 -8.562 33.872 1.00 21.43 C ATOM 1402 CD GLN A 89 -13.336 -8.452 35.274 1.00 3.31 C ATOM 1403 OE1 GLN A 89 -13.934 -7.874 36.183 1.00 75.35 O ATOM 1404 NE2 GLN A 89 -12.116 -9.013 35.459 1.00 45.31 N ATOM 0 H GLN A 89 -14.467 -12.158 32.215 1.00 54.21 H new ATOM 0 HA GLN A 89 -16.096 -9.964 32.516 1.00 63.33 H new ATOM 0 HB2 GLN A 89 -14.468 -10.622 34.226 1.00 72.10 H new ATOM 0 HB3 GLN A 89 -13.130 -10.414 33.113 1.00 72.10 H new ATOM 0 HG2 GLN A 89 -13.296 -8.029 33.168 1.00 21.43 H new ATOM 0 HG3 GLN A 89 -14.906 -8.066 33.859 1.00 21.43 H new ATOM 0 HE21 GLN A 89 -11.649 -9.484 34.684 1.00 45.31 H new ATOM 0 HE22 GLN A 89 -11.665 -8.964 36.373 1.00 45.31 H new ATOM 1413 N LEU A 90 -13.769 -9.424 30.218 1.00 41.34 N ATOM 1414 CA LEU A 90 -13.482 -8.511 29.151 1.00 65.33 C ATOM 1415 C LEU A 90 -14.665 -8.325 28.209 1.00 11.02 C ATOM 1416 O LEU A 90 -15.020 -7.212 27.823 1.00 34.21 O ATOM 1417 CB LEU A 90 -12.241 -9.020 28.395 1.00 31.34 C ATOM 1418 CG LEU A 90 -10.893 -9.028 29.159 1.00 63.04 C ATOM 1419 CD1 LEU A 90 -9.761 -9.465 28.210 1.00 43.22 C ATOM 1420 CD2 LEU A 90 -10.521 -7.710 29.860 1.00 32.44 C ATOM 0 H LEU A 90 -13.188 -10.262 30.222 1.00 41.34 H new ATOM 0 HA LEU A 90 -13.283 -7.527 29.576 1.00 65.33 H new ATOM 0 HB2 LEU A 90 -12.444 -10.037 28.060 1.00 31.34 H new ATOM 0 HB3 LEU A 90 -12.118 -8.409 27.501 1.00 31.34 H new ATOM 0 HG LEU A 90 -11.025 -9.745 29.969 1.00 63.04 H new ATOM 0 HD11 LEU A 90 -8.814 -9.469 28.751 1.00 43.22 H new ATOM 0 HD12 LEU A 90 -9.968 -10.467 27.833 1.00 43.22 H new ATOM 0 HD13 LEU A 90 -9.698 -8.769 27.374 1.00 43.22 H new ATOM 0 HD21 LEU A 90 -9.561 -7.824 30.364 1.00 32.44 H new ATOM 0 HD22 LEU A 90 -10.450 -6.912 29.121 1.00 32.44 H new ATOM 0 HD23 LEU A 90 -11.288 -7.459 30.593 1.00 32.44 H new ATOM 1432 N LEU A 91 -15.359 -9.426 27.877 1.00 72.45 N ATOM 1433 CA LEU A 91 -16.584 -9.405 27.104 1.00 23.13 C ATOM 1434 C LEU A 91 -17.717 -8.684 27.854 1.00 44.23 C ATOM 1435 O LEU A 91 -18.488 -7.918 27.274 1.00 62.32 O ATOM 1436 CB LEU A 91 -16.931 -10.868 26.724 1.00 61.40 C ATOM 1437 CG LEU A 91 -15.918 -11.490 25.728 1.00 50.20 C ATOM 1438 CD1 LEU A 91 -15.773 -13.006 25.899 1.00 42.20 C ATOM 1439 CD2 LEU A 91 -16.335 -11.201 24.287 1.00 54.12 C ATOM 0 H LEU A 91 -15.069 -10.365 28.149 1.00 72.45 H new ATOM 0 HA LEU A 91 -16.449 -8.828 26.189 1.00 23.13 H new ATOM 0 HB2 LEU A 91 -16.963 -11.475 27.629 1.00 61.40 H new ATOM 0 HB3 LEU A 91 -17.928 -10.897 26.285 1.00 61.40 H new ATOM 0 HG LEU A 91 -14.955 -11.028 25.947 1.00 50.20 H new ATOM 0 HD11 LEU A 91 -15.052 -13.386 25.176 1.00 42.20 H new ATOM 0 HD12 LEU A 91 -15.426 -13.227 26.908 1.00 42.20 H new ATOM 0 HD13 LEU A 91 -16.738 -13.485 25.735 1.00 42.20 H new ATOM 0 HD21 LEU A 91 -15.612 -11.645 23.603 1.00 54.12 H new ATOM 0 HD22 LEU A 91 -17.321 -11.628 24.101 1.00 54.12 H new ATOM 0 HD23 LEU A 91 -16.370 -10.123 24.128 1.00 54.12 H new ATOM 1451 N ASP A 92 -17.824 -8.890 29.188 1.00 45.25 N ATOM 1452 CA ASP A 92 -18.769 -8.225 30.067 1.00 30.13 C ATOM 1453 C ASP A 92 -18.546 -6.725 30.231 1.00 55.30 C ATOM 1454 O ASP A 92 -19.500 -5.956 30.202 1.00 42.52 O ATOM 1455 CB ASP A 92 -18.780 -8.983 31.405 1.00 31.34 C ATOM 1456 CG ASP A 92 -19.846 -8.567 32.413 1.00 41.55 C ATOM 1457 OD1 ASP A 92 -21.049 -8.812 32.123 1.00 43.02 O ATOM 1458 OD2 ASP A 92 -19.468 -8.035 33.487 1.00 15.12 O ATOM 0 H ASP A 92 -17.225 -9.551 29.683 1.00 45.25 H new ATOM 0 HA ASP A 92 -19.754 -8.265 29.603 1.00 30.13 H new ATOM 0 HB2 ASP A 92 -18.905 -10.045 31.195 1.00 31.34 H new ATOM 0 HB3 ASP A 92 -17.803 -8.864 31.873 1.00 31.34 H new ATOM 1463 N ILE A 93 -17.276 -6.269 30.354 1.00 62.34 N ATOM 1464 CA ILE A 93 -16.901 -4.848 30.361 1.00 64.24 C ATOM 1465 C ILE A 93 -17.346 -4.196 29.080 1.00 2.33 C ATOM 1466 O ILE A 93 -17.920 -3.111 29.084 1.00 72.41 O ATOM 1467 CB ILE A 93 -15.395 -4.605 30.439 1.00 13.34 C ATOM 1468 CG1 ILE A 93 -14.787 -4.983 31.804 1.00 72.33 C ATOM 1469 CG2 ILE A 93 -15.025 -3.142 30.088 1.00 62.00 C ATOM 1470 CD1 ILE A 93 -13.250 -5.064 31.796 1.00 15.34 C ATOM 0 H ILE A 93 -16.476 -6.894 30.452 1.00 62.34 H new ATOM 0 HA ILE A 93 -17.381 -4.435 31.248 1.00 64.24 H new ATOM 0 HB ILE A 93 -14.961 -5.269 29.691 1.00 13.34 H new ATOM 0 HG12 ILE A 93 -15.099 -4.249 32.547 1.00 72.33 H new ATOM 0 HG13 ILE A 93 -15.191 -5.946 32.118 1.00 72.33 H new ATOM 0 HG21 ILE A 93 -13.945 -3.014 30.156 1.00 62.00 H new ATOM 0 HG22 ILE A 93 -15.354 -2.917 29.074 1.00 62.00 H new ATOM 0 HG23 ILE A 93 -15.516 -2.465 30.787 1.00 62.00 H new ATOM 0 HD11 ILE A 93 -12.895 -5.335 32.790 1.00 15.34 H new ATOM 0 HD12 ILE A 93 -12.929 -5.819 31.078 1.00 15.34 H new ATOM 0 HD13 ILE A 93 -12.836 -4.096 31.514 1.00 15.34 H new ATOM 1482 N LYS A 94 -17.115 -4.876 27.940 1.00 71.13 N ATOM 1483 CA LYS A 94 -17.491 -4.394 26.639 1.00 20.41 C ATOM 1484 C LYS A 94 -18.964 -4.139 26.563 1.00 44.33 C ATOM 1485 O LYS A 94 -19.384 -3.039 26.226 1.00 15.41 O ATOM 1486 CB LYS A 94 -17.079 -5.450 25.571 1.00 30.44 C ATOM 1487 CG LYS A 94 -18.072 -5.630 24.406 1.00 32.43 C ATOM 1488 CD LYS A 94 -17.524 -6.265 23.125 1.00 54.35 C ATOM 1489 CE LYS A 94 -18.216 -5.601 21.937 1.00 33.12 C ATOM 1490 NZ LYS A 94 -17.581 -5.954 20.659 1.00 61.20 N ATOM 0 H LYS A 94 -16.654 -5.786 27.920 1.00 71.13 H new ATOM 0 HA LYS A 94 -16.979 -3.451 26.450 1.00 20.41 H new ATOM 0 HB2 LYS A 94 -16.110 -5.168 25.160 1.00 30.44 H new ATOM 0 HB3 LYS A 94 -16.948 -6.412 26.067 1.00 30.44 H new ATOM 0 HG2 LYS A 94 -18.903 -6.240 24.759 1.00 32.43 H new ATOM 0 HG3 LYS A 94 -18.480 -4.651 24.153 1.00 32.43 H new ATOM 0 HD2 LYS A 94 -16.444 -6.128 23.063 1.00 54.35 H new ATOM 0 HD3 LYS A 94 -17.709 -7.339 23.123 1.00 54.35 H new ATOM 0 HE2 LYS A 94 -19.264 -5.900 21.915 1.00 33.12 H new ATOM 0 HE3 LYS A 94 -18.196 -4.519 22.065 1.00 33.12 H new ATOM 0 HZ1 LYS A 94 -17.852 -5.260 19.933 1.00 61.20 H new ATOM 0 HZ2 LYS A 94 -16.547 -5.950 20.772 1.00 61.20 H new ATOM 0 HZ3 LYS A 94 -17.894 -6.902 20.366 1.00 61.20 H new ATOM 1504 N HIS A 95 -19.808 -5.103 26.966 1.00 65.12 N ATOM 1505 CA HIS A 95 -21.226 -4.934 26.706 1.00 73.52 C ATOM 1506 C HIS A 95 -21.791 -3.891 27.640 1.00 13.21 C ATOM 1507 O HIS A 95 -22.742 -3.171 27.345 1.00 2.34 O ATOM 1508 CB HIS A 95 -22.008 -6.231 26.901 1.00 0.04 C ATOM 1509 CG HIS A 95 -22.408 -6.683 28.243 1.00 1.25 C ATOM 1510 ND1 HIS A 95 -23.464 -6.266 29.001 1.00 41.43 N ATOM 1511 CD2 HIS A 95 -21.804 -7.667 28.894 1.00 75.43 C ATOM 1512 CE1 HIS A 95 -23.470 -6.970 30.118 1.00 64.14 C ATOM 1513 NE2 HIS A 95 -22.462 -7.826 30.079 1.00 51.05 N ATOM 0 H HIS A 95 -19.542 -5.962 27.448 1.00 65.12 H new ATOM 0 HA HIS A 95 -21.328 -4.625 25.666 1.00 73.52 H new ATOM 0 HB2 HIS A 95 -22.919 -6.146 26.309 1.00 0.04 H new ATOM 0 HB3 HIS A 95 -21.414 -7.031 26.459 1.00 0.04 H new ATOM 0 HD2 HIS A 95 -20.952 -8.236 28.551 1.00 75.43 H new ATOM 0 HE1 HIS A 95 -24.178 -6.865 30.927 1.00 64.14 H new ATOM 0 HE2 HIS A 95 -22.218 -8.493 30.811 1.00 51.05 H new ATOM 1522 N SER A 96 -21.136 -3.817 28.817 1.00 14.04 N ATOM 1523 CA SER A 96 -21.434 -2.853 29.875 1.00 31.20 C ATOM 1524 C SER A 96 -21.146 -1.432 29.453 1.00 1.14 C ATOM 1525 O SER A 96 -21.878 -0.490 29.730 1.00 52.32 O ATOM 1526 CB SER A 96 -20.634 -3.163 31.164 1.00 33.12 C ATOM 1527 OG SER A 96 -20.986 -2.325 32.265 1.00 14.14 O ATOM 0 H SER A 96 -20.368 -4.445 29.055 1.00 14.04 H new ATOM 0 HA SER A 96 -22.501 -2.948 30.075 1.00 31.20 H new ATOM 0 HB2 SER A 96 -20.797 -4.204 31.443 1.00 33.12 H new ATOM 0 HB3 SER A 96 -19.570 -3.051 30.958 1.00 33.12 H new ATOM 0 HG SER A 96 -20.449 -2.570 33.047 1.00 14.14 H new ATOM 1533 N CYS A 97 -20.025 -1.247 28.754 1.00 74.45 N ATOM 1534 CA CYS A 97 -19.642 -0.003 28.139 1.00 52.33 C ATOM 1535 C CYS A 97 -20.506 0.412 26.972 1.00 10.20 C ATOM 1536 O CYS A 97 -20.786 1.594 26.798 1.00 13.12 O ATOM 1537 CB CYS A 97 -18.154 -0.021 27.778 1.00 10.30 C ATOM 1538 SG CYS A 97 -17.055 0.330 29.172 1.00 44.01 S ATOM 0 H CYS A 97 -19.345 -1.992 28.603 1.00 74.45 H new ATOM 0 HA CYS A 97 -19.814 0.771 28.887 1.00 52.33 H new ATOM 0 HB2 CYS A 97 -17.902 -0.999 27.367 1.00 10.30 H new ATOM 0 HB3 CYS A 97 -17.972 0.712 26.992 1.00 10.30 H new ATOM 1543 N GLU A 98 -20.991 -0.547 26.154 1.00 32.22 N ATOM 1544 CA GLU A 98 -21.766 -0.295 24.943 1.00 61.11 C ATOM 1545 C GLU A 98 -23.054 0.450 25.209 1.00 71.34 C ATOM 1546 O GLU A 98 -23.552 1.181 24.361 1.00 43.31 O ATOM 1547 CB GLU A 98 -22.109 -1.629 24.233 1.00 60.44 C ATOM 1548 CG GLU A 98 -20.873 -2.308 23.603 1.00 50.25 C ATOM 1549 CD GLU A 98 -20.506 -1.756 22.224 1.00 54.11 C ATOM 1550 OE1 GLU A 98 -20.473 -2.576 21.269 1.00 34.21 O ATOM 1551 OE2 GLU A 98 -20.254 -0.530 22.107 1.00 41.33 O ATOM 0 H GLU A 98 -20.845 -1.541 26.332 1.00 32.22 H new ATOM 0 HA GLU A 98 -21.138 0.331 24.309 1.00 61.11 H new ATOM 0 HB2 GLU A 98 -22.565 -2.310 24.951 1.00 60.44 H new ATOM 0 HB3 GLU A 98 -22.850 -1.441 23.456 1.00 60.44 H new ATOM 0 HG2 GLU A 98 -20.021 -2.186 24.272 1.00 50.25 H new ATOM 0 HG3 GLU A 98 -21.061 -3.378 23.518 1.00 50.25 H new ATOM 1558 N LYS A 99 -23.625 0.258 26.408 1.00 64.05 N ATOM 1559 CA LYS A 99 -24.882 0.871 26.785 1.00 12.33 C ATOM 1560 C LYS A 99 -24.687 2.271 27.354 1.00 21.42 C ATOM 1561 O LYS A 99 -25.631 3.059 27.389 1.00 70.42 O ATOM 1562 CB LYS A 99 -25.647 -0.048 27.778 1.00 21.22 C ATOM 1563 CG LYS A 99 -25.047 -0.128 29.188 1.00 1.40 C ATOM 1564 CD LYS A 99 -25.246 -1.478 29.901 1.00 24.04 C ATOM 1565 CE LYS A 99 -26.711 -1.843 30.142 1.00 55.40 C ATOM 1566 NZ LYS A 99 -26.796 -3.098 30.916 1.00 42.23 N ATOM 0 H LYS A 99 -23.218 -0.330 27.136 1.00 64.05 H new ATOM 0 HA LYS A 99 -25.485 0.986 25.884 1.00 12.33 H new ATOM 0 HB2 LYS A 99 -26.675 0.306 27.857 1.00 21.22 H new ATOM 0 HB3 LYS A 99 -25.687 -1.054 27.360 1.00 21.22 H new ATOM 0 HG2 LYS A 99 -23.979 0.079 29.125 1.00 1.40 H new ATOM 0 HG3 LYS A 99 -25.489 0.658 29.800 1.00 1.40 H new ATOM 0 HD2 LYS A 99 -24.779 -2.264 29.307 1.00 24.04 H new ATOM 0 HD3 LYS A 99 -24.726 -1.452 30.859 1.00 24.04 H new ATOM 0 HE2 LYS A 99 -27.211 -1.039 30.681 1.00 55.40 H new ATOM 0 HE3 LYS A 99 -27.228 -1.958 29.189 1.00 55.40 H new ATOM 0 HZ1 LYS A 99 -27.795 -3.340 31.076 1.00 42.23 H new ATOM 0 HZ2 LYS A 99 -26.335 -3.865 30.386 1.00 42.23 H new ATOM 0 HZ3 LYS A 99 -26.319 -2.974 31.832 1.00 42.23 H new ATOM 1580 N VAL A 100 -23.455 2.619 27.817 1.00 71.31 N ATOM 1581 CA VAL A 100 -23.170 3.890 28.458 1.00 21.22 C ATOM 1582 C VAL A 100 -22.496 4.850 27.501 1.00 14.02 C ATOM 1583 O VAL A 100 -22.678 6.063 27.593 1.00 33.54 O ATOM 1584 CB VAL A 100 -22.322 3.755 29.726 1.00 54.02 C ATOM 1585 CG1 VAL A 100 -23.093 2.861 30.704 1.00 24.45 C ATOM 1586 CG2 VAL A 100 -20.918 3.182 29.495 1.00 71.31 C ATOM 0 H VAL A 100 -22.642 2.008 27.745 1.00 71.31 H new ATOM 0 HA VAL A 100 -24.140 4.288 28.755 1.00 21.22 H new ATOM 0 HB VAL A 100 -22.159 4.758 30.119 1.00 54.02 H new ATOM 0 HG11 VAL A 100 -22.516 2.743 31.621 1.00 24.45 H new ATOM 0 HG12 VAL A 100 -24.054 3.320 30.936 1.00 24.45 H new ATOM 0 HG13 VAL A 100 -23.258 1.883 30.251 1.00 24.45 H new ATOM 0 HG21 VAL A 100 -20.389 3.122 30.446 1.00 71.31 H new ATOM 0 HG22 VAL A 100 -20.999 2.186 29.061 1.00 71.31 H new ATOM 0 HG23 VAL A 100 -20.368 3.831 28.814 1.00 71.31 H new ATOM 1596 N ILE A 101 -21.699 4.328 26.542 1.00 63.53 N ATOM 1597 CA ILE A 101 -21.071 5.145 25.513 1.00 62.23 C ATOM 1598 C ILE A 101 -22.027 5.712 24.475 1.00 13.42 C ATOM 1599 O ILE A 101 -23.104 5.184 24.203 1.00 22.22 O ATOM 1600 CB ILE A 101 -19.954 4.442 24.763 1.00 51.15 C ATOM 1601 CG1 ILE A 101 -20.419 3.167 24.025 1.00 4.52 C ATOM 1602 CG2 ILE A 101 -18.784 4.162 25.724 1.00 61.31 C ATOM 1603 CD1 ILE A 101 -19.868 3.095 22.605 1.00 33.53 C ATOM 0 H ILE A 101 -21.482 3.334 26.471 1.00 63.53 H new ATOM 0 HA ILE A 101 -20.663 5.965 26.105 1.00 62.23 H new ATOM 0 HB ILE A 101 -19.613 5.112 23.974 1.00 51.15 H new ATOM 0 HG12 ILE A 101 -20.098 2.288 24.583 1.00 4.52 H new ATOM 0 HG13 ILE A 101 -21.508 3.144 23.993 1.00 4.52 H new ATOM 0 HG21 ILE A 101 -17.983 3.657 25.184 1.00 61.31 H new ATOM 0 HG22 ILE A 101 -18.412 5.103 26.129 1.00 61.31 H new ATOM 0 HG23 ILE A 101 -19.128 3.527 26.540 1.00 61.31 H new ATOM 0 HD11 ILE A 101 -20.220 2.183 22.124 1.00 33.53 H new ATOM 0 HD12 ILE A 101 -20.211 3.960 22.037 1.00 33.53 H new ATOM 0 HD13 ILE A 101 -18.778 3.091 22.637 1.00 33.53 H new ATOM 1615 N THR A 102 -21.614 6.828 23.826 1.00 44.31 N ATOM 1616 CA THR A 102 -22.256 7.285 22.600 1.00 3.14 C ATOM 1617 C THR A 102 -22.005 6.351 21.438 1.00 54.31 C ATOM 1618 O THR A 102 -20.866 6.044 21.083 1.00 15.31 O ATOM 1619 CB THR A 102 -21.887 8.713 22.199 1.00 22.32 C ATOM 1620 OG1 THR A 102 -22.334 9.631 23.187 1.00 32.32 O ATOM 1621 CG2 THR A 102 -22.474 9.130 20.832 1.00 3.45 C ATOM 0 H THR A 102 -20.842 7.416 24.141 1.00 44.31 H new ATOM 0 HA THR A 102 -23.320 7.281 22.838 1.00 3.14 H new ATOM 0 HB THR A 102 -20.801 8.734 22.114 1.00 22.32 H new ATOM 0 HG1 THR A 102 -22.091 10.542 22.921 1.00 32.32 H new ATOM 0 HG21 THR A 102 -22.176 10.154 20.605 1.00 3.45 H new ATOM 0 HG22 THR A 102 -22.099 8.462 20.056 1.00 3.45 H new ATOM 0 HG23 THR A 102 -23.562 9.069 20.869 1.00 3.45 H new ATOM 1629 N ILE A 103 -23.118 5.931 20.807 1.00 61.33 N ATOM 1630 CA ILE A 103 -23.240 5.099 19.654 1.00 72.35 C ATOM 1631 C ILE A 103 -23.774 6.014 18.615 1.00 10.34 C ATOM 1632 O ILE A 103 -24.719 6.768 18.849 1.00 61.13 O ATOM 1633 CB ILE A 103 -24.209 3.941 19.793 1.00 42.32 C ATOM 1634 CG1 ILE A 103 -23.723 3.012 20.920 1.00 45.14 C ATOM 1635 CG2 ILE A 103 -24.457 3.216 18.439 1.00 23.33 C ATOM 1636 CD1 ILE A 103 -24.652 1.829 21.143 1.00 34.02 C ATOM 0 H ILE A 103 -24.037 6.211 21.151 1.00 61.33 H new ATOM 0 HA ILE A 103 -22.275 4.638 19.443 1.00 72.35 H new ATOM 0 HB ILE A 103 -25.191 4.319 20.077 1.00 42.32 H new ATOM 0 HG12 ILE A 103 -22.725 2.645 20.679 1.00 45.14 H new ATOM 0 HG13 ILE A 103 -23.638 3.582 21.845 1.00 45.14 H new ATOM 0 HG21 ILE A 103 -25.157 2.394 18.589 1.00 23.33 H new ATOM 0 HG22 ILE A 103 -24.874 3.921 17.720 1.00 23.33 H new ATOM 0 HG23 ILE A 103 -23.514 2.824 18.058 1.00 23.33 H new ATOM 0 HD11 ILE A 103 -24.262 1.207 21.948 1.00 34.02 H new ATOM 0 HD12 ILE A 103 -25.644 2.191 21.412 1.00 34.02 H new ATOM 0 HD13 ILE A 103 -24.717 1.240 20.228 1.00 34.02 H new ATOM 1648 N VAL A 104 -23.161 5.969 17.434 1.00 44.25 N ATOM 1649 CA VAL A 104 -23.609 6.763 16.336 1.00 33.53 C ATOM 1650 C VAL A 104 -24.109 5.787 15.300 1.00 4.13 C ATOM 1651 O VAL A 104 -23.410 4.859 14.899 1.00 61.43 O ATOM 1652 CB VAL A 104 -22.506 7.542 15.715 1.00 34.31 C ATOM 1653 CG1 VAL A 104 -22.995 8.482 14.651 1.00 2.41 C ATOM 1654 CG2 VAL A 104 -21.611 8.275 16.707 1.00 4.44 C ATOM 0 H VAL A 104 -22.351 5.383 17.231 1.00 44.25 H new ATOM 0 HA VAL A 104 -24.363 7.469 16.685 1.00 33.53 H new ATOM 0 HB VAL A 104 -21.880 6.783 15.246 1.00 34.31 H new ATOM 0 HG11 VAL A 104 -22.150 9.026 14.230 1.00 2.41 H new ATOM 0 HG12 VAL A 104 -23.490 7.914 13.863 1.00 2.41 H new ATOM 0 HG13 VAL A 104 -23.701 9.189 15.087 1.00 2.41 H new ATOM 0 HG21 VAL A 104 -20.835 8.816 16.166 1.00 4.44 H new ATOM 0 HG22 VAL A 104 -22.209 8.980 17.285 1.00 4.44 H new ATOM 0 HG23 VAL A 104 -21.148 7.554 17.381 1.00 4.44 H new ATOM 1664 N ALA A 105 -25.338 6.001 14.816 1.00 24.52 N ATOM 1665 CA ALA A 105 -25.888 5.273 13.696 1.00 74.23 C ATOM 1666 C ALA A 105 -25.151 5.489 12.381 1.00 41.52 C ATOM 1667 O ALA A 105 -24.847 4.549 11.652 1.00 34.21 O ATOM 1668 CB ALA A 105 -27.364 5.657 13.503 1.00 22.35 C ATOM 0 H ALA A 105 -25.976 6.696 15.205 1.00 24.52 H new ATOM 0 HA ALA A 105 -25.776 4.218 13.948 1.00 74.23 H new ATOM 0 HB1 ALA A 105 -27.776 5.106 12.657 1.00 22.35 H new ATOM 0 HB2 ALA A 105 -27.925 5.410 14.404 1.00 22.35 H new ATOM 0 HB3 ALA A 105 -27.439 6.727 13.310 1.00 22.35 H new ATOM 1674 N ASP A 106 -24.834 6.763 12.071 1.00 63.15 N ATOM 1675 CA ASP A 106 -24.075 7.182 10.909 1.00 1.43 C ATOM 1676 C ASP A 106 -22.633 6.686 10.892 1.00 14.13 C ATOM 1677 O ASP A 106 -22.086 6.392 9.833 1.00 5.00 O ATOM 1678 CB ASP A 106 -24.079 8.732 10.772 1.00 23.12 C ATOM 1679 CG ASP A 106 -25.444 9.293 10.374 1.00 52.51 C ATOM 1680 OD1 ASP A 106 -26.321 8.515 9.919 1.00 63.32 O ATOM 1681 OD2 ASP A 106 -25.608 10.531 10.527 1.00 24.51 O ATOM 0 H ASP A 106 -25.118 7.548 12.657 1.00 63.15 H new ATOM 0 HA ASP A 106 -24.581 6.721 10.061 1.00 1.43 H new ATOM 0 HB2 ASP A 106 -23.772 9.176 11.719 1.00 23.12 H new ATOM 0 HB3 ASP A 106 -23.340 9.027 10.027 1.00 23.12 H new ATOM 1686 N ASP A 107 -21.967 6.661 12.064 1.00 62.35 N ATOM 1687 CA ASP A 107 -20.525 6.565 12.142 1.00 53.42 C ATOM 1688 C ASP A 107 -20.161 5.404 13.071 1.00 60.13 C ATOM 1689 O ASP A 107 -20.080 5.638 14.277 1.00 32.32 O ATOM 1690 CB ASP A 107 -19.940 7.892 12.708 1.00 73.03 C ATOM 1691 CG ASP A 107 -18.427 7.973 12.566 1.00 2.10 C ATOM 1692 OD1 ASP A 107 -17.953 8.147 11.414 1.00 31.25 O ATOM 1693 OD2 ASP A 107 -17.735 7.827 13.607 1.00 11.42 O ATOM 0 H ASP A 107 -22.428 6.708 12.973 1.00 62.35 H new ATOM 0 HA ASP A 107 -20.110 6.391 11.149 1.00 53.42 H new ATOM 0 HB2 ASP A 107 -20.395 8.736 12.189 1.00 73.03 H new ATOM 0 HB3 ASP A 107 -20.208 7.983 13.761 1.00 73.03 H new ATOM 1698 N PRO A 108 -19.875 4.180 12.645 1.00 24.24 N ATOM 1699 CA PRO A 108 -19.525 3.090 13.558 1.00 61.14 C ATOM 1700 C PRO A 108 -18.179 3.296 14.234 1.00 14.40 C ATOM 1701 O PRO A 108 -17.865 2.582 15.186 1.00 53.11 O ATOM 1702 CB PRO A 108 -19.523 1.852 12.646 1.00 2.13 C ATOM 1703 CG PRO A 108 -19.177 2.401 11.258 1.00 23.33 C ATOM 1704 CD PRO A 108 -19.908 3.744 11.246 1.00 52.10 C ATOM 0 HA PRO A 108 -20.224 3.009 14.391 1.00 61.14 H new ATOM 0 HB2 PRO A 108 -18.790 1.116 12.976 1.00 2.13 H new ATOM 0 HB3 PRO A 108 -20.494 1.357 12.647 1.00 2.13 H new ATOM 0 HG2 PRO A 108 -18.102 2.522 11.125 1.00 23.33 H new ATOM 0 HG3 PRO A 108 -19.524 1.742 10.462 1.00 23.33 H new ATOM 0 HD2 PRO A 108 -19.412 4.462 10.593 1.00 52.10 H new ATOM 0 HD3 PRO A 108 -20.931 3.638 10.885 1.00 52.10 H new ATOM 1712 N CYS A 109 -17.357 4.245 13.736 1.00 64.40 N ATOM 1713 CA CYS A 109 -16.019 4.506 14.201 1.00 75.44 C ATOM 1714 C CYS A 109 -16.040 5.126 15.590 1.00 22.20 C ATOM 1715 O CYS A 109 -15.315 4.695 16.483 1.00 4.32 O ATOM 1716 CB CYS A 109 -15.283 5.420 13.193 1.00 24.22 C ATOM 1717 SG CYS A 109 -15.172 4.667 11.531 1.00 64.02 S ATOM 0 H CYS A 109 -17.637 4.861 12.973 1.00 64.40 H new ATOM 0 HA CYS A 109 -15.479 3.562 14.272 1.00 75.44 H new ATOM 0 HB2 CYS A 109 -15.804 6.375 13.123 1.00 24.22 H new ATOM 0 HB3 CYS A 109 -14.279 5.631 13.562 1.00 24.22 H new ATOM 1722 N GLN A 110 -16.939 6.116 15.834 1.00 11.45 N ATOM 1723 CA GLN A 110 -17.160 6.706 17.148 1.00 51.34 C ATOM 1724 C GLN A 110 -17.650 5.682 18.131 1.00 32.32 C ATOM 1725 O GLN A 110 -17.112 5.588 19.226 1.00 12.41 O ATOM 1726 CB GLN A 110 -18.192 7.866 17.106 1.00 53.11 C ATOM 1727 CG GLN A 110 -17.681 9.217 17.660 1.00 51.21 C ATOM 1728 CD GLN A 110 -16.952 10.000 16.573 1.00 73.04 C ATOM 1729 OE1 GLN A 110 -17.225 11.175 16.322 1.00 30.13 O ATOM 1730 NE2 GLN A 110 -16.044 9.288 15.864 1.00 43.42 N ATOM 0 H GLN A 110 -17.528 6.519 15.106 1.00 11.45 H new ATOM 0 HA GLN A 110 -16.193 7.098 17.464 1.00 51.34 H new ATOM 0 HB2 GLN A 110 -18.511 8.011 16.074 1.00 53.11 H new ATOM 0 HB3 GLN A 110 -19.074 7.568 17.673 1.00 53.11 H new ATOM 0 HG2 GLN A 110 -18.520 9.802 18.037 1.00 51.21 H new ATOM 0 HG3 GLN A 110 -17.011 9.041 18.501 1.00 51.21 H new ATOM 0 HE21 GLN A 110 -15.852 8.317 16.111 1.00 43.42 H new ATOM 0 HE22 GLN A 110 -15.552 9.723 15.083 1.00 43.42 H new ATOM 1739 N THR A 111 -18.623 4.835 17.720 1.00 71.24 N ATOM 1740 CA THR A 111 -19.113 3.743 18.564 1.00 74.24 C ATOM 1741 C THR A 111 -17.981 2.814 19.000 1.00 11.22 C ATOM 1742 O THR A 111 -17.847 2.512 20.183 1.00 31.20 O ATOM 1743 CB THR A 111 -20.148 2.873 17.867 1.00 21.22 C ATOM 1744 OG1 THR A 111 -21.240 3.665 17.421 1.00 21.50 O ATOM 1745 CG2 THR A 111 -20.685 1.780 18.824 1.00 55.25 C ATOM 0 H THR A 111 -19.077 4.895 16.809 1.00 71.24 H new ATOM 0 HA THR A 111 -19.565 4.240 19.422 1.00 74.24 H new ATOM 0 HB THR A 111 -19.662 2.399 17.014 1.00 21.22 H new ATOM 0 HG1 THR A 111 -21.726 3.186 16.718 1.00 21.50 H new ATOM 0 HG21 THR A 111 -21.424 1.171 18.303 1.00 55.25 H new ATOM 0 HG22 THR A 111 -19.860 1.148 19.153 1.00 55.25 H new ATOM 0 HG23 THR A 111 -21.149 2.251 19.690 1.00 55.25 H new ATOM 1753 N MET A 112 -17.090 2.389 18.072 1.00 42.32 N ATOM 1754 CA MET A 112 -15.959 1.537 18.399 1.00 63.32 C ATOM 1755 C MET A 112 -14.927 2.211 19.299 1.00 31.32 C ATOM 1756 O MET A 112 -14.509 1.656 20.310 1.00 1.55 O ATOM 1757 CB MET A 112 -15.216 1.082 17.118 1.00 1.54 C ATOM 1758 CG MET A 112 -14.254 -0.094 17.369 1.00 31.41 C ATOM 1759 SD MET A 112 -15.121 -1.635 17.817 1.00 12.25 S ATOM 1760 CE MET A 112 -13.661 -2.665 18.134 1.00 13.24 C ATOM 0 H MET A 112 -17.149 2.635 17.084 1.00 42.32 H new ATOM 0 HA MET A 112 -16.394 0.691 18.931 1.00 63.32 H new ATOM 0 HB2 MET A 112 -15.947 0.792 16.364 1.00 1.54 H new ATOM 0 HB3 MET A 112 -14.655 1.923 16.711 1.00 1.54 H new ATOM 0 HG2 MET A 112 -13.657 -0.266 16.474 1.00 31.41 H new ATOM 0 HG3 MET A 112 -13.562 0.173 18.168 1.00 31.41 H new ATOM 0 HE1 MET A 112 -13.975 -3.624 18.545 1.00 13.24 H new ATOM 0 HE2 MET A 112 -13.122 -2.829 17.201 1.00 13.24 H new ATOM 0 HE3 MET A 112 -13.008 -2.161 18.846 1.00 13.24 H new ATOM 1770 N LEU A 113 -14.507 3.452 18.956 1.00 64.34 N ATOM 1771 CA LEU A 113 -13.503 4.229 19.678 1.00 45.52 C ATOM 1772 C LEU A 113 -13.967 4.623 21.060 1.00 62.34 C ATOM 1773 O LEU A 113 -13.248 4.432 22.040 1.00 3.25 O ATOM 1774 CB LEU A 113 -13.161 5.453 18.805 1.00 41.20 C ATOM 1775 CG LEU A 113 -11.902 6.330 19.038 1.00 4.33 C ATOM 1776 CD1 LEU A 113 -12.097 7.772 18.513 1.00 13.32 C ATOM 1777 CD2 LEU A 113 -11.197 6.278 20.394 1.00 53.31 C ATOM 0 H LEU A 113 -14.876 3.944 18.143 1.00 64.34 H new ATOM 0 HA LEU A 113 -12.611 3.626 19.846 1.00 45.52 H new ATOM 0 HB2 LEU A 113 -13.103 5.094 17.777 1.00 41.20 H new ATOM 0 HB3 LEU A 113 -14.019 6.122 18.860 1.00 41.20 H new ATOM 0 HG LEU A 113 -11.165 5.814 18.423 1.00 4.33 H new ATOM 0 HD11 LEU A 113 -11.192 8.351 18.696 1.00 13.32 H new ATOM 0 HD12 LEU A 113 -12.300 7.745 17.442 1.00 13.32 H new ATOM 0 HD13 LEU A 113 -12.936 8.237 19.030 1.00 13.32 H new ATOM 0 HD21 LEU A 113 -10.339 6.950 20.384 1.00 53.31 H new ATOM 0 HD22 LEU A 113 -11.890 6.586 21.177 1.00 53.31 H new ATOM 0 HD23 LEU A 113 -10.858 5.261 20.589 1.00 53.31 H new ATOM 1789 N ASN A 114 -15.227 5.109 21.175 1.00 75.14 N ATOM 1790 CA ASN A 114 -15.844 5.476 22.444 1.00 55.44 C ATOM 1791 C ASN A 114 -15.958 4.252 23.333 1.00 2.21 C ATOM 1792 O ASN A 114 -15.679 4.310 24.530 1.00 31.50 O ATOM 1793 CB ASN A 114 -17.280 6.056 22.327 1.00 22.53 C ATOM 1794 CG ASN A 114 -17.295 7.429 21.660 1.00 41.25 C ATOM 1795 OD1 ASN A 114 -16.320 8.181 21.641 1.00 15.44 O ATOM 1796 ND2 ASN A 114 -18.481 7.771 21.089 1.00 1.24 N ATOM 0 H ASN A 114 -15.839 5.254 20.372 1.00 75.14 H new ATOM 0 HA ASN A 114 -15.193 6.250 22.850 1.00 55.44 H new ATOM 0 HB2 ASN A 114 -17.902 5.369 21.754 1.00 22.53 H new ATOM 0 HB3 ASN A 114 -17.721 6.132 23.321 1.00 22.53 H new ATOM 0 HD21 ASN A 114 -18.583 8.675 20.627 1.00 1.24 H new ATOM 0 HD22 ASN A 114 -19.269 7.124 21.123 1.00 1.24 H new ATOM 1803 N LEU A 115 -16.346 3.088 22.756 1.00 31.32 N ATOM 1804 CA LEU A 115 -16.390 1.837 23.477 1.00 33.23 C ATOM 1805 C LEU A 115 -15.038 1.405 23.948 1.00 61.11 C ATOM 1806 O LEU A 115 -14.866 1.021 25.097 1.00 61.55 O ATOM 1807 CB LEU A 115 -16.957 0.699 22.607 1.00 0.12 C ATOM 1808 CG LEU A 115 -17.030 -0.677 23.303 1.00 11.43 C ATOM 1809 CD1 LEU A 115 -15.765 -1.542 23.226 1.00 42.41 C ATOM 1810 CD2 LEU A 115 -17.655 -0.603 24.690 1.00 32.22 C ATOM 0 H LEU A 115 -16.632 3.013 21.780 1.00 31.32 H new ATOM 0 HA LEU A 115 -17.038 2.022 24.334 1.00 33.23 H new ATOM 0 HB2 LEU A 115 -17.958 0.977 22.278 1.00 0.12 H new ATOM 0 HB3 LEU A 115 -16.342 0.605 21.712 1.00 0.12 H new ATOM 0 HG LEU A 115 -17.726 -1.244 22.685 1.00 11.43 H new ATOM 0 HD11 LEU A 115 -15.935 -2.483 23.749 1.00 42.41 H new ATOM 0 HD12 LEU A 115 -15.526 -1.745 22.182 1.00 42.41 H new ATOM 0 HD13 LEU A 115 -14.934 -1.013 23.692 1.00 42.41 H new ATOM 0 HD21 LEU A 115 -17.680 -1.599 25.131 1.00 32.22 H new ATOM 0 HD22 LEU A 115 -17.062 0.059 25.321 1.00 32.22 H new ATOM 0 HD23 LEU A 115 -18.671 -0.215 24.611 1.00 32.22 H new ATOM 1822 N ALA A 116 -14.039 1.472 23.058 1.00 5.45 N ATOM 1823 CA ALA A 116 -12.692 1.000 23.294 1.00 43.31 C ATOM 1824 C ALA A 116 -12.031 1.778 24.399 1.00 0.13 C ATOM 1825 O ALA A 116 -11.372 1.214 25.273 1.00 3.21 O ATOM 1826 CB ALA A 116 -11.833 1.093 22.019 1.00 74.11 C ATOM 0 H ALA A 116 -14.163 1.871 22.128 1.00 5.45 H new ATOM 0 HA ALA A 116 -12.768 -0.046 23.591 1.00 43.31 H new ATOM 0 HB1 ALA A 116 -10.827 0.731 22.231 1.00 74.11 H new ATOM 0 HB2 ALA A 116 -12.280 0.484 21.234 1.00 74.11 H new ATOM 0 HB3 ALA A 116 -11.783 2.131 21.689 1.00 74.11 H new ATOM 1832 N MET A 117 -12.227 3.117 24.395 1.00 74.24 N ATOM 1833 CA MET A 117 -11.702 3.967 25.430 1.00 3.15 C ATOM 1834 C MET A 117 -12.468 3.771 26.746 1.00 64.45 C ATOM 1835 O MET A 117 -11.868 3.891 27.809 1.00 53.12 O ATOM 1836 CB MET A 117 -11.640 5.450 24.935 1.00 34.31 C ATOM 1837 CG MET A 117 -12.982 6.192 24.846 1.00 70.04 C ATOM 1838 SD MET A 117 -12.876 7.880 24.167 1.00 65.11 S ATOM 1839 CE MET A 117 -11.992 8.647 25.556 1.00 63.53 C ATOM 0 H MET A 117 -12.751 3.611 23.673 1.00 74.24 H new ATOM 0 HA MET A 117 -10.674 3.681 25.653 1.00 3.15 H new ATOM 0 HB2 MET A 117 -10.984 6.007 25.604 1.00 34.31 H new ATOM 0 HB3 MET A 117 -11.175 5.463 23.949 1.00 34.31 H new ATOM 0 HG2 MET A 117 -13.664 5.608 24.227 1.00 70.04 H new ATOM 0 HG3 MET A 117 -13.420 6.243 25.843 1.00 70.04 H new ATOM 0 HE1 MET A 117 -12.055 9.732 25.473 1.00 63.53 H new ATOM 0 HE2 MET A 117 -12.444 8.329 26.495 1.00 63.53 H new ATOM 0 HE3 MET A 117 -10.946 8.341 25.535 1.00 63.53 H new ATOM 1849 N CYS A 118 -13.787 3.403 26.723 1.00 34.44 N ATOM 1850 CA CYS A 118 -14.512 2.932 27.918 1.00 22.33 C ATOM 1851 C CYS A 118 -14.053 1.564 28.406 1.00 24.14 C ATOM 1852 O CYS A 118 -13.778 1.378 29.590 1.00 72.00 O ATOM 1853 CB CYS A 118 -16.057 2.883 27.706 1.00 25.11 C ATOM 1854 SG CYS A 118 -17.070 2.379 29.161 1.00 71.24 S ATOM 0 H CYS A 118 -14.360 3.429 25.879 1.00 34.44 H new ATOM 0 HA CYS A 118 -14.272 3.674 28.679 1.00 22.33 H new ATOM 0 HB2 CYS A 118 -16.389 3.870 27.384 1.00 25.11 H new ATOM 0 HB3 CYS A 118 -16.268 2.194 26.888 1.00 25.11 H new ATOM 1859 N PHE A 119 -13.903 0.571 27.498 1.00 64.24 N ATOM 1860 CA PHE A 119 -13.353 -0.736 27.820 1.00 41.12 C ATOM 1861 C PHE A 119 -11.986 -0.716 28.466 1.00 72.24 C ATOM 1862 O PHE A 119 -11.766 -1.352 29.499 1.00 62.02 O ATOM 1863 CB PHE A 119 -13.288 -1.539 26.499 1.00 44.41 C ATOM 1864 CG PHE A 119 -12.588 -2.873 26.594 1.00 61.23 C ATOM 1865 CD1 PHE A 119 -11.217 -2.918 26.269 1.00 60.34 C ATOM 1866 CD2 PHE A 119 -13.211 -4.031 27.075 1.00 51.51 C ATOM 1867 CE1 PHE A 119 -10.482 -4.094 26.427 1.00 30.41 C ATOM 1868 CE2 PHE A 119 -12.469 -5.206 27.242 1.00 12.04 C ATOM 1869 CZ PHE A 119 -11.110 -5.241 26.919 1.00 14.55 C ATOM 0 H PHE A 119 -14.167 0.671 26.518 1.00 64.24 H new ATOM 0 HA PHE A 119 -14.007 -1.188 28.566 1.00 41.12 H new ATOM 0 HB2 PHE A 119 -14.305 -1.704 26.142 1.00 44.41 H new ATOM 0 HB3 PHE A 119 -12.781 -0.933 25.748 1.00 44.41 H new ATOM 0 HD1 PHE A 119 -10.729 -2.031 25.893 1.00 60.34 H new ATOM 0 HD2 PHE A 119 -14.263 -4.018 27.317 1.00 51.51 H new ATOM 0 HE1 PHE A 119 -9.433 -4.117 26.170 1.00 30.41 H new ATOM 0 HE2 PHE A 119 -12.951 -6.094 27.624 1.00 12.04 H new ATOM 0 HZ PHE A 119 -10.546 -6.153 27.049 1.00 14.55 H new ATOM 1879 N LYS A 120 -11.039 0.048 27.888 1.00 51.12 N ATOM 1880 CA LYS A 120 -9.711 0.195 28.408 1.00 61.51 C ATOM 1881 C LYS A 120 -9.707 0.862 29.769 1.00 23.40 C ATOM 1882 O LYS A 120 -8.845 0.611 30.610 1.00 3.10 O ATOM 1883 CB LYS A 120 -8.870 0.972 27.368 1.00 35.15 C ATOM 1884 CG LYS A 120 -7.403 1.244 27.729 1.00 60.22 C ATOM 1885 CD LYS A 120 -6.543 -0.014 27.932 1.00 63.15 C ATOM 1886 CE LYS A 120 -5.047 0.265 28.107 1.00 13.34 C ATOM 1887 NZ LYS A 120 -4.804 0.987 29.370 1.00 14.42 N ATOM 0 H LYS A 120 -11.201 0.580 27.033 1.00 51.12 H new ATOM 0 HA LYS A 120 -9.267 -0.787 28.568 1.00 61.51 H new ATOM 0 HB2 LYS A 120 -8.892 0.417 26.430 1.00 35.15 H new ATOM 0 HB3 LYS A 120 -9.358 1.929 27.183 1.00 35.15 H new ATOM 0 HG2 LYS A 120 -6.956 1.849 26.940 1.00 60.22 H new ATOM 0 HG3 LYS A 120 -7.373 1.838 28.642 1.00 60.22 H new ATOM 0 HD2 LYS A 120 -6.906 -0.550 28.809 1.00 63.15 H new ATOM 0 HD3 LYS A 120 -6.679 -0.675 27.076 1.00 63.15 H new ATOM 0 HE2 LYS A 120 -4.493 -0.673 28.105 1.00 13.34 H new ATOM 0 HE3 LYS A 120 -4.680 0.854 27.267 1.00 13.34 H new ATOM 0 HZ1 LYS A 120 -3.786 1.169 29.475 1.00 14.42 H new ATOM 0 HZ2 LYS A 120 -5.318 1.891 29.358 1.00 14.42 H new ATOM 0 HZ3 LYS A 120 -5.137 0.410 30.169 1.00 14.42 H new ATOM 1901 N ALA A 121 -10.717 1.724 30.017 1.00 2.20 N ATOM 1902 CA ALA A 121 -10.870 2.443 31.270 1.00 3.10 C ATOM 1903 C ALA A 121 -11.076 1.500 32.449 1.00 13.32 C ATOM 1904 O ALA A 121 -10.479 1.634 33.515 1.00 65.03 O ATOM 1905 CB ALA A 121 -12.070 3.408 31.173 1.00 43.35 C ATOM 0 H ALA A 121 -11.448 1.932 29.337 1.00 2.20 H new ATOM 0 HA ALA A 121 -9.949 3.000 31.443 1.00 3.10 H new ATOM 0 HB1 ALA A 121 -12.182 3.946 32.115 1.00 43.35 H new ATOM 0 HB2 ALA A 121 -11.899 4.121 30.366 1.00 43.35 H new ATOM 0 HB3 ALA A 121 -12.978 2.840 30.969 1.00 43.35 H new ATOM 1911 N GLU A 122 -11.943 0.492 32.241 1.00 14.44 N ATOM 1912 CA GLU A 122 -12.245 -0.561 33.175 1.00 21.23 C ATOM 1913 C GLU A 122 -11.081 -1.519 33.437 1.00 23.04 C ATOM 1914 O GLU A 122 -10.753 -1.764 34.590 1.00 63.32 O ATOM 1915 CB GLU A 122 -13.506 -1.285 32.646 1.00 71.33 C ATOM 1916 CG GLU A 122 -14.798 -0.421 32.725 1.00 55.35 C ATOM 1917 CD GLU A 122 -15.300 -0.202 34.153 1.00 44.23 C ATOM 1918 OE1 GLU A 122 -15.780 -1.197 34.757 1.00 65.55 O ATOM 1919 OE2 GLU A 122 -15.235 0.960 34.631 1.00 61.01 O ATOM 0 H GLU A 122 -12.467 0.403 31.370 1.00 14.44 H new ATOM 0 HA GLU A 122 -12.431 -0.127 34.157 1.00 21.23 H new ATOM 0 HB2 GLU A 122 -13.338 -1.579 31.610 1.00 71.33 H new ATOM 0 HB3 GLU A 122 -13.656 -2.201 33.217 1.00 71.33 H new ATOM 0 HG2 GLU A 122 -14.606 0.548 32.263 1.00 55.35 H new ATOM 0 HG3 GLU A 122 -15.583 -0.902 32.142 1.00 55.35 H new ATOM 1926 N ILE A 123 -10.340 -2.035 32.425 1.00 62.43 N ATOM 1927 CA ILE A 123 -9.135 -2.817 32.657 1.00 31.11 C ATOM 1928 C ILE A 123 -7.965 -2.053 33.252 1.00 61.10 C ATOM 1929 O ILE A 123 -7.096 -2.656 33.873 1.00 14.33 O ATOM 1930 CB ILE A 123 -8.719 -3.589 31.420 1.00 22.42 C ATOM 1931 CG1 ILE A 123 -8.408 -2.651 30.251 1.00 71.32 C ATOM 1932 CG2 ILE A 123 -9.828 -4.589 31.036 1.00 44.13 C ATOM 1933 CD1 ILE A 123 -7.896 -3.315 28.977 1.00 43.01 C ATOM 0 H ILE A 123 -10.572 -1.913 31.439 1.00 62.43 H new ATOM 0 HA ILE A 123 -9.424 -3.525 33.434 1.00 31.11 H new ATOM 0 HB ILE A 123 -7.805 -4.137 31.648 1.00 22.42 H new ATOM 0 HG12 ILE A 123 -9.313 -2.094 30.008 1.00 71.32 H new ATOM 0 HG13 ILE A 123 -7.666 -1.925 30.582 1.00 71.32 H new ATOM 0 HG21 ILE A 123 -9.527 -5.143 30.147 1.00 44.13 H new ATOM 0 HG22 ILE A 123 -9.991 -5.285 31.859 1.00 44.13 H new ATOM 0 HG23 ILE A 123 -10.751 -4.047 30.831 1.00 44.13 H new ATOM 0 HD11 ILE A 123 -7.710 -2.554 28.219 1.00 43.01 H new ATOM 0 HD12 ILE A 123 -6.969 -3.847 29.191 1.00 43.01 H new ATOM 0 HD13 ILE A 123 -8.642 -4.019 28.609 1.00 43.01 H new ATOM 1945 N HIS A 124 -7.931 -0.705 33.129 1.00 41.12 N ATOM 1946 CA HIS A 124 -7.005 0.147 33.856 1.00 35.20 C ATOM 1947 C HIS A 124 -7.246 0.082 35.364 1.00 12.22 C ATOM 1948 O HIS A 124 -6.297 0.142 36.147 1.00 32.14 O ATOM 1949 CB HIS A 124 -7.092 1.628 33.379 1.00 32.32 C ATOM 1950 CG HIS A 124 -5.983 2.554 33.832 1.00 14.12 C ATOM 1951 ND1 HIS A 124 -5.291 2.398 35.001 1.00 10.12 N ATOM 1952 CD2 HIS A 124 -5.495 3.667 33.239 1.00 23.12 C ATOM 1953 CE1 HIS A 124 -4.415 3.377 35.117 1.00 62.33 C ATOM 1954 NE2 HIS A 124 -4.519 4.162 34.060 1.00 74.21 N ATOM 0 H HIS A 124 -8.558 -0.189 32.512 1.00 41.12 H new ATOM 0 HA HIS A 124 -6.005 -0.231 33.644 1.00 35.20 H new ATOM 0 HB2 HIS A 124 -7.116 1.634 32.289 1.00 32.32 H new ATOM 0 HB3 HIS A 124 -8.041 2.041 33.721 1.00 32.32 H new ATOM 0 HD1 HIS A 124 -5.430 1.645 35.675 1.00 10.12 H new ATOM 0 HD2 HIS A 124 -5.815 4.086 32.296 1.00 23.12 H new ATOM 0 HE1 HIS A 124 -3.728 3.514 35.939 1.00 62.33 H new ATOM 1963 N LYS A 125 -8.529 0.042 35.805 1.00 24.32 N ATOM 1964 CA LYS A 125 -8.889 0.125 37.213 1.00 70.01 C ATOM 1965 C LYS A 125 -8.665 -1.185 37.968 1.00 51.14 C ATOM 1966 O LYS A 125 -8.490 -1.204 39.185 1.00 14.24 O ATOM 1967 CB LYS A 125 -10.357 0.622 37.381 1.00 22.12 C ATOM 1968 CG LYS A 125 -11.474 -0.429 37.517 1.00 41.10 C ATOM 1969 CD LYS A 125 -12.873 0.205 37.604 1.00 42.50 C ATOM 1970 CE LYS A 125 -14.017 -0.805 37.737 1.00 52.12 C ATOM 1971 NZ LYS A 125 -13.952 -1.500 39.039 1.00 12.03 N ATOM 0 H LYS A 125 -9.331 -0.049 35.181 1.00 24.32 H new ATOM 0 HA LYS A 125 -8.216 0.856 37.662 1.00 70.01 H new ATOM 0 HB2 LYS A 125 -10.393 1.261 38.264 1.00 22.12 H new ATOM 0 HB3 LYS A 125 -10.595 1.251 36.523 1.00 22.12 H new ATOM 0 HG2 LYS A 125 -11.438 -1.105 36.663 1.00 41.10 H new ATOM 0 HG3 LYS A 125 -11.295 -1.031 38.408 1.00 41.10 H new ATOM 0 HD2 LYS A 125 -12.900 0.881 38.459 1.00 42.50 H new ATOM 0 HD3 LYS A 125 -13.040 0.810 36.713 1.00 42.50 H new ATOM 0 HE2 LYS A 125 -14.974 -0.293 37.640 1.00 52.12 H new ATOM 0 HE3 LYS A 125 -13.962 -1.533 36.928 1.00 52.12 H new ATOM 0 HZ1 LYS A 125 -14.773 -2.130 39.137 1.00 12.03 H new ATOM 0 HZ2 LYS A 125 -13.077 -2.060 39.090 1.00 12.03 H new ATOM 0 HZ3 LYS A 125 -13.959 -0.799 39.807 1.00 12.03 H new ATOM 1985 N LEU A 126 -8.691 -2.318 37.232 1.00 53.11 N ATOM 1986 CA LEU A 126 -8.552 -3.684 37.710 1.00 75.32 C ATOM 1987 C LEU A 126 -7.199 -4.031 38.289 1.00 74.23 C ATOM 1988 O LEU A 126 -6.149 -3.489 37.957 1.00 53.11 O ATOM 1989 CB LEU A 126 -8.888 -4.703 36.582 1.00 53.21 C ATOM 1990 CG LEU A 126 -10.370 -4.684 36.139 1.00 21.13 C ATOM 1991 CD1 LEU A 126 -10.573 -5.338 34.764 1.00 2.53 C ATOM 1992 CD2 LEU A 126 -11.302 -5.344 37.167 1.00 43.41 C ATOM 0 H LEU A 126 -8.819 -2.284 36.221 1.00 53.11 H new ATOM 0 HA LEU A 126 -9.266 -3.752 38.531 1.00 75.32 H new ATOM 0 HB2 LEU A 126 -8.258 -4.493 35.717 1.00 53.21 H new ATOM 0 HB3 LEU A 126 -8.635 -5.706 36.925 1.00 53.21 H new ATOM 0 HG LEU A 126 -10.637 -3.630 36.066 1.00 21.13 H new ATOM 0 HD11 LEU A 126 -11.629 -5.301 34.496 1.00 2.53 H new ATOM 0 HD12 LEU A 126 -9.989 -4.801 34.016 1.00 2.53 H new ATOM 0 HD13 LEU A 126 -10.245 -6.377 34.803 1.00 2.53 H new ATOM 0 HD21 LEU A 126 -12.330 -5.303 36.806 1.00 43.41 H new ATOM 0 HD22 LEU A 126 -11.009 -6.384 37.309 1.00 43.41 H new ATOM 0 HD23 LEU A 126 -11.230 -4.814 38.117 1.00 43.41 H new ATOM 2004 N ASP A 127 -7.242 -4.998 39.228 1.00 71.03 N ATOM 2005 CA ASP A 127 -6.119 -5.461 40.008 1.00 15.52 C ATOM 2006 C ASP A 127 -5.270 -6.494 39.268 1.00 52.55 C ATOM 2007 O ASP A 127 -4.280 -6.987 39.803 1.00 12.13 O ATOM 2008 CB ASP A 127 -6.641 -6.062 41.333 1.00 14.51 C ATOM 2009 CG ASP A 127 -7.326 -5.004 42.188 1.00 71.41 C ATOM 2010 OD1 ASP A 127 -6.639 -4.036 42.600 1.00 33.34 O ATOM 2011 OD2 ASP A 127 -8.551 -5.166 42.431 1.00 45.51 O ATOM 0 H ASP A 127 -8.107 -5.487 39.459 1.00 71.03 H new ATOM 0 HA ASP A 127 -5.474 -4.604 40.201 1.00 15.52 H new ATOM 0 HB2 ASP A 127 -7.342 -6.869 41.118 1.00 14.51 H new ATOM 0 HB3 ASP A 127 -5.811 -6.500 41.888 1.00 14.51 H new ATOM 2016 N TRP A 128 -5.646 -6.843 38.021 1.00 24.32 N ATOM 2017 CA TRP A 128 -4.912 -7.755 37.167 1.00 31.12 C ATOM 2018 C TRP A 128 -4.822 -7.073 35.816 1.00 71.32 C ATOM 2019 O TRP A 128 -5.663 -6.235 35.493 1.00 33.43 O ATOM 2020 CB TRP A 128 -5.607 -9.149 37.027 1.00 72.43 C ATOM 2021 CG TRP A 128 -6.968 -9.085 36.356 1.00 64.21 C ATOM 2022 CD1 TRP A 128 -8.107 -8.538 36.863 1.00 22.30 C ATOM 2023 CD2 TRP A 128 -7.240 -9.402 34.979 1.00 44.44 C ATOM 2024 NE1 TRP A 128 -9.058 -8.416 35.874 1.00 15.41 N ATOM 2025 CE2 TRP A 128 -8.544 -8.940 34.706 1.00 74.13 C ATOM 2026 CE3 TRP A 128 -6.462 -9.998 33.989 1.00 52.00 C ATOM 2027 CZ2 TRP A 128 -9.088 -9.049 33.430 1.00 62.12 C ATOM 2028 CZ3 TRP A 128 -7.027 -10.148 32.715 1.00 4.44 C ATOM 2029 CH2 TRP A 128 -8.314 -9.664 32.433 1.00 41.12 C ATOM 0 H TRP A 128 -6.493 -6.480 37.583 1.00 24.32 H new ATOM 0 HA TRP A 128 -3.932 -7.962 37.597 1.00 31.12 H new ATOM 0 HB2 TRP A 128 -4.959 -9.813 36.454 1.00 72.43 H new ATOM 0 HB3 TRP A 128 -5.720 -9.591 38.017 1.00 72.43 H new ATOM 0 HD1 TRP A 128 -8.245 -8.242 37.893 1.00 22.30 H new ATOM 0 HE1 TRP A 128 -9.986 -8.007 35.986 1.00 15.41 H new ATOM 0 HE3 TRP A 128 -5.457 -10.333 34.196 1.00 52.00 H new ATOM 0 HZ2 TRP A 128 -10.076 -8.672 33.213 1.00 62.12 H new ATOM 0 HZ3 TRP A 128 -6.463 -10.644 31.938 1.00 4.44 H new ATOM 0 HH2 TRP A 128 -8.714 -9.766 31.435 1.00 41.12 H new ATOM 2040 N ALA A 129 -3.803 -7.407 34.997 1.00 3.20 N ATOM 2041 CA ALA A 129 -3.636 -6.797 33.699 1.00 75.31 C ATOM 2042 C ALA A 129 -3.792 -7.825 32.584 1.00 34.43 C ATOM 2043 O ALA A 129 -3.003 -8.771 32.543 1.00 32.24 O ATOM 2044 CB ALA A 129 -2.251 -6.139 33.589 1.00 43.23 C ATOM 0 H ALA A 129 -3.091 -8.100 35.230 1.00 3.20 H new ATOM 0 HA ALA A 129 -4.411 -6.038 33.590 1.00 75.31 H new ATOM 0 HB1 ALA A 129 -2.142 -5.684 32.605 1.00 43.23 H new ATOM 0 HB2 ALA A 129 -2.151 -5.372 34.357 1.00 43.23 H new ATOM 0 HB3 ALA A 129 -1.477 -6.894 33.728 1.00 43.23 H new ATOM 2050 N PRO A 130 -4.743 -7.727 31.651 1.00 13.33 N ATOM 2051 CA PRO A 130 -4.642 -8.400 30.357 1.00 30.14 C ATOM 2052 C PRO A 130 -3.566 -7.737 29.506 1.00 30.13 C ATOM 2053 O PRO A 130 -3.275 -6.554 29.676 1.00 14.11 O ATOM 2054 CB PRO A 130 -6.042 -8.209 29.752 1.00 70.34 C ATOM 2055 CG PRO A 130 -6.542 -6.891 30.349 1.00 4.42 C ATOM 2056 CD PRO A 130 -5.941 -6.881 31.752 1.00 55.02 C ATOM 0 HA PRO A 130 -4.360 -9.451 30.426 1.00 30.14 H new ATOM 0 HB2 PRO A 130 -6.001 -8.161 28.664 1.00 70.34 H new ATOM 0 HB3 PRO A 130 -6.702 -9.037 30.010 1.00 70.34 H new ATOM 0 HG2 PRO A 130 -6.208 -6.034 29.764 1.00 4.42 H new ATOM 0 HG3 PRO A 130 -7.631 -6.852 30.379 1.00 4.42 H new ATOM 0 HD2 PRO A 130 -5.686 -5.869 32.066 1.00 55.02 H new ATOM 0 HD3 PRO A 130 -6.643 -7.275 32.486 1.00 55.02 H new ATOM 2064 N THR A 131 -2.957 -8.491 28.567 1.00 41.10 N ATOM 2065 CA THR A 131 -2.052 -7.956 27.560 1.00 12.23 C ATOM 2066 C THR A 131 -2.909 -7.456 26.419 1.00 35.43 C ATOM 2067 O THR A 131 -4.103 -7.749 26.356 1.00 72.14 O ATOM 2068 CB THR A 131 -1.013 -8.956 27.026 1.00 63.41 C ATOM 2069 OG1 THR A 131 -1.528 -9.973 26.174 1.00 21.11 O ATOM 2070 CG2 THR A 131 -0.425 -9.704 28.228 1.00 21.21 C ATOM 0 H THR A 131 -3.090 -9.500 28.496 1.00 41.10 H new ATOM 0 HA THR A 131 -1.464 -7.168 28.030 1.00 12.23 H new ATOM 0 HB THR A 131 -0.306 -8.359 26.450 1.00 63.41 H new ATOM 0 HG1 THR A 131 -0.797 -10.558 25.884 1.00 21.11 H new ATOM 0 HG21 THR A 131 0.317 -10.423 27.881 1.00 21.21 H new ATOM 0 HG22 THR A 131 0.048 -8.992 28.904 1.00 21.21 H new ATOM 0 HG23 THR A 131 -1.221 -10.230 28.754 1.00 21.21 H new ATOM 2078 N LEU A 132 -2.335 -6.719 25.444 1.00 75.11 N ATOM 2079 CA LEU A 132 -3.083 -6.230 24.296 1.00 3.04 C ATOM 2080 C LEU A 132 -3.663 -7.369 23.473 1.00 45.23 C ATOM 2081 O LEU A 132 -4.785 -7.271 22.990 1.00 21.33 O ATOM 2082 CB LEU A 132 -2.246 -5.308 23.365 1.00 3.31 C ATOM 2083 CG LEU A 132 -1.897 -3.902 23.926 1.00 74.21 C ATOM 2084 CD1 LEU A 132 -3.153 -3.115 24.339 1.00 51.50 C ATOM 2085 CD2 LEU A 132 -0.854 -3.903 25.058 1.00 31.13 C ATOM 0 H LEU A 132 -1.350 -6.455 25.442 1.00 75.11 H new ATOM 0 HA LEU A 132 -3.893 -5.636 24.720 1.00 3.04 H new ATOM 0 HB2 LEU A 132 -1.315 -5.821 23.122 1.00 3.31 H new ATOM 0 HB3 LEU A 132 -2.792 -5.178 22.431 1.00 3.31 H new ATOM 0 HG LEU A 132 -1.424 -3.389 23.089 1.00 74.21 H new ATOM 0 HD11 LEU A 132 -2.860 -2.139 24.725 1.00 51.50 H new ATOM 0 HD12 LEU A 132 -3.801 -2.983 23.472 1.00 51.50 H new ATOM 0 HD13 LEU A 132 -3.689 -3.665 25.112 1.00 51.50 H new ATOM 0 HD21 LEU A 132 -0.673 -2.880 25.387 1.00 31.13 H new ATOM 0 HD22 LEU A 132 -1.227 -4.493 25.895 1.00 31.13 H new ATOM 0 HD23 LEU A 132 0.077 -4.337 24.694 1.00 31.13 H new ATOM 2097 N ASP A 133 -2.942 -8.507 23.355 1.00 63.42 N ATOM 2098 CA ASP A 133 -3.355 -9.665 22.573 1.00 4.44 C ATOM 2099 C ASP A 133 -4.652 -10.313 23.078 1.00 73.03 C ATOM 2100 O ASP A 133 -5.357 -10.978 22.326 1.00 44.12 O ATOM 2101 CB ASP A 133 -2.229 -10.730 22.556 1.00 52.22 C ATOM 2102 CG ASP A 133 -1.014 -10.199 21.808 1.00 11.14 C ATOM 2103 OD1 ASP A 133 0.047 -10.037 22.466 1.00 53.33 O ATOM 2104 OD2 ASP A 133 -1.137 -9.953 20.581 1.00 53.01 O ATOM 0 H ASP A 133 -2.041 -8.635 23.815 1.00 63.42 H new ATOM 0 HA ASP A 133 -3.549 -9.295 21.566 1.00 4.44 H new ATOM 0 HB2 ASP A 133 -1.951 -10.992 23.577 1.00 52.22 H new ATOM 0 HB3 ASP A 133 -2.588 -11.642 22.080 1.00 52.22 H new ATOM 2109 N VAL A 134 -4.965 -10.158 24.379 1.00 14.53 N ATOM 2110 CA VAL A 134 -6.169 -10.638 25.046 1.00 1.15 C ATOM 2111 C VAL A 134 -7.162 -9.512 25.248 1.00 71.23 C ATOM 2112 O VAL A 134 -8.342 -9.646 24.923 1.00 44.24 O ATOM 2113 CB VAL A 134 -5.877 -11.412 26.334 1.00 50.22 C ATOM 2114 CG1 VAL A 134 -4.623 -10.916 27.035 1.00 5.52 C ATOM 2115 CG2 VAL A 134 -7.062 -11.535 27.313 1.00 52.44 C ATOM 0 H VAL A 134 -4.343 -9.665 25.020 1.00 14.53 H new ATOM 0 HA VAL A 134 -6.633 -11.367 24.381 1.00 1.15 H new ATOM 0 HB VAL A 134 -5.695 -12.430 25.989 1.00 50.22 H new ATOM 0 HG11 VAL A 134 -4.460 -11.497 27.943 1.00 5.52 H new ATOM 0 HG12 VAL A 134 -3.766 -11.031 26.372 1.00 5.52 H new ATOM 0 HG13 VAL A 134 -4.743 -9.864 27.294 1.00 5.52 H new ATOM 0 HG21 VAL A 134 -6.751 -12.100 28.192 1.00 52.44 H new ATOM 0 HG22 VAL A 134 -7.387 -10.540 27.618 1.00 52.44 H new ATOM 0 HG23 VAL A 134 -7.887 -12.052 26.823 1.00 52.44 H new ATOM 2125 N ALA A 135 -6.719 -8.330 25.733 1.00 45.30 N ATOM 2126 CA ALA A 135 -7.601 -7.200 25.929 1.00 21.03 C ATOM 2127 C ALA A 135 -8.214 -6.670 24.655 1.00 54.44 C ATOM 2128 O ALA A 135 -9.425 -6.470 24.593 1.00 53.11 O ATOM 2129 CB ALA A 135 -6.857 -6.057 26.634 1.00 4.21 C ATOM 0 H ALA A 135 -5.748 -8.152 25.991 1.00 45.30 H new ATOM 0 HA ALA A 135 -8.418 -7.573 26.546 1.00 21.03 H new ATOM 0 HB1 ALA A 135 -7.534 -5.214 26.774 1.00 4.21 H new ATOM 0 HB2 ALA A 135 -6.499 -6.400 27.605 1.00 4.21 H new ATOM 0 HB3 ALA A 135 -6.009 -5.744 26.024 1.00 4.21 H new ATOM 2135 N VAL A 136 -7.424 -6.471 23.574 1.00 23.42 N ATOM 2136 CA VAL A 136 -8.027 -6.060 22.321 1.00 64.33 C ATOM 2137 C VAL A 136 -8.579 -7.277 21.645 1.00 20.21 C ATOM 2138 O VAL A 136 -9.551 -7.181 20.906 1.00 30.24 O ATOM 2139 CB VAL A 136 -7.127 -5.331 21.329 1.00 54.24 C ATOM 2140 CG1 VAL A 136 -6.269 -4.320 22.104 1.00 35.41 C ATOM 2141 CG2 VAL A 136 -6.341 -6.199 20.329 1.00 64.40 C ATOM 0 H VAL A 136 -6.411 -6.587 23.557 1.00 23.42 H new ATOM 0 HA VAL A 136 -8.783 -5.327 22.603 1.00 64.33 H new ATOM 0 HB VAL A 136 -7.784 -4.805 20.636 1.00 54.24 H new ATOM 0 HG11 VAL A 136 -5.618 -3.788 21.410 1.00 35.41 H new ATOM 0 HG12 VAL A 136 -6.918 -3.607 22.612 1.00 35.41 H new ATOM 0 HG13 VAL A 136 -5.662 -4.847 22.840 1.00 35.41 H new ATOM 0 HG21 VAL A 136 -5.742 -5.557 19.683 1.00 64.40 H new ATOM 0 HG22 VAL A 136 -5.686 -6.879 20.874 1.00 64.40 H new ATOM 0 HG23 VAL A 136 -7.038 -6.776 19.722 1.00 64.40 H new ATOM 2151 N GLY A 137 -7.967 -8.467 21.883 1.00 4.22 N ATOM 2152 CA GLY A 137 -8.337 -9.683 21.188 1.00 52.43 C ATOM 2153 C GLY A 137 -9.776 -10.062 21.383 1.00 74.53 C ATOM 2154 O GLY A 137 -10.452 -10.401 20.419 1.00 50.33 O ATOM 0 H GLY A 137 -7.213 -8.588 22.559 1.00 4.22 H new ATOM 0 HA2 GLY A 137 -8.142 -9.558 20.123 1.00 52.43 H new ATOM 0 HA3 GLY A 137 -7.703 -10.499 21.535 1.00 52.43 H new ATOM 2158 N GLU A 138 -10.305 -9.985 22.625 1.00 62.23 N ATOM 2159 CA GLU A 138 -11.693 -10.277 22.899 1.00 44.25 C ATOM 2160 C GLU A 138 -12.659 -9.272 22.278 1.00 71.42 C ATOM 2161 O GLU A 138 -13.718 -9.653 21.779 1.00 5.55 O ATOM 2162 CB GLU A 138 -11.911 -10.400 24.419 1.00 44.35 C ATOM 2163 CG GLU A 138 -11.070 -11.514 25.120 1.00 11.33 C ATOM 2164 CD GLU A 138 -10.089 -12.360 24.292 1.00 52.52 C ATOM 2165 OE1 GLU A 138 -10.546 -13.035 23.345 1.00 15.52 O ATOM 2166 OE2 GLU A 138 -8.880 -12.374 24.625 1.00 14.04 O ATOM 0 H GLU A 138 -9.767 -9.718 23.450 1.00 62.23 H new ATOM 0 HA GLU A 138 -11.921 -11.231 22.423 1.00 44.25 H new ATOM 0 HB2 GLU A 138 -11.675 -9.442 24.883 1.00 44.35 H new ATOM 0 HB3 GLU A 138 -12.968 -10.593 24.605 1.00 44.35 H new ATOM 0 HG2 GLU A 138 -10.498 -11.038 25.917 1.00 11.33 H new ATOM 0 HG3 GLU A 138 -11.770 -12.200 25.596 1.00 11.33 H new ATOM 2173 N LEU A 139 -12.295 -7.964 22.265 1.00 52.31 N ATOM 2174 CA LEU A 139 -13.029 -6.911 21.590 1.00 55.53 C ATOM 2175 C LEU A 139 -13.075 -7.093 20.125 1.00 54.00 C ATOM 2176 O LEU A 139 -14.134 -7.047 19.501 1.00 72.13 O ATOM 2177 CB LEU A 139 -12.351 -5.527 21.694 1.00 71.42 C ATOM 2178 CG LEU A 139 -12.479 -4.823 23.021 1.00 5.41 C ATOM 2179 CD1 LEU A 139 -11.610 -3.555 22.999 1.00 15.25 C ATOM 2180 CD2 LEU A 139 -13.956 -4.453 23.182 1.00 23.41 C ATOM 0 H LEU A 139 -11.459 -7.625 22.741 1.00 52.31 H new ATOM 0 HA LEU A 139 -14.002 -6.961 22.079 1.00 55.53 H new ATOM 0 HB2 LEU A 139 -11.291 -5.647 21.470 1.00 71.42 H new ATOM 0 HB3 LEU A 139 -12.769 -4.881 20.922 1.00 71.42 H new ATOM 0 HG LEU A 139 -12.149 -5.451 23.848 1.00 5.41 H new ATOM 0 HD11 LEU A 139 -11.696 -3.038 23.955 1.00 15.25 H new ATOM 0 HD12 LEU A 139 -10.569 -3.830 22.827 1.00 15.25 H new ATOM 0 HD13 LEU A 139 -11.948 -2.896 22.199 1.00 15.25 H new ATOM 0 HD21 LEU A 139 -14.101 -3.939 24.132 1.00 23.41 H new ATOM 0 HD22 LEU A 139 -14.258 -3.798 22.365 1.00 23.41 H new ATOM 0 HD23 LEU A 139 -14.562 -5.359 23.164 1.00 23.41 H new ATOM 2192 N LEU A 140 -11.877 -7.298 19.552 1.00 71.30 N ATOM 2193 CA LEU A 140 -11.779 -7.446 18.131 1.00 33.20 C ATOM 2194 C LEU A 140 -12.418 -8.740 17.654 1.00 64.21 C ATOM 2195 O LEU A 140 -13.100 -8.757 16.633 1.00 15.11 O ATOM 2196 CB LEU A 140 -10.319 -7.279 17.624 1.00 31.44 C ATOM 2197 CG LEU A 140 -9.724 -5.852 17.799 1.00 63.31 C ATOM 2198 CD1 LEU A 140 -8.306 -5.784 17.203 1.00 75.03 C ATOM 2199 CD2 LEU A 140 -10.556 -4.700 17.217 1.00 1.32 C ATOM 0 H LEU A 140 -10.993 -7.361 20.057 1.00 71.30 H new ATOM 0 HA LEU A 140 -12.351 -6.633 17.684 1.00 33.20 H new ATOM 0 HB2 LEU A 140 -9.683 -7.989 18.152 1.00 31.44 H new ATOM 0 HB3 LEU A 140 -10.284 -7.544 16.567 1.00 31.44 H new ATOM 0 HG LEU A 140 -9.720 -5.701 18.879 1.00 63.31 H new ATOM 0 HD11 LEU A 140 -7.904 -4.779 17.334 1.00 75.03 H new ATOM 0 HD12 LEU A 140 -7.662 -6.501 17.712 1.00 75.03 H new ATOM 0 HD13 LEU A 140 -8.346 -6.023 16.140 1.00 75.03 H new ATOM 0 HD21 LEU A 140 -10.045 -3.754 17.398 1.00 1.32 H new ATOM 0 HD22 LEU A 140 -10.680 -4.847 16.144 1.00 1.32 H new ATOM 0 HD23 LEU A 140 -11.535 -4.680 17.696 1.00 1.32 H new ATOM 2211 N ALA A 141 -12.275 -9.860 18.403 1.00 61.31 N ATOM 2212 CA ALA A 141 -12.972 -11.085 18.093 1.00 71.44 C ATOM 2213 C ALA A 141 -14.487 -10.982 18.156 1.00 51.05 C ATOM 2214 O ALA A 141 -15.168 -11.507 17.280 1.00 53.21 O ATOM 2215 CB ALA A 141 -12.525 -12.208 19.043 1.00 63.53 C ATOM 0 H ALA A 141 -11.675 -9.918 19.226 1.00 61.31 H new ATOM 0 HA ALA A 141 -12.708 -11.305 17.059 1.00 71.44 H new ATOM 0 HB1 ALA A 141 -13.059 -13.126 18.798 1.00 63.53 H new ATOM 0 HB2 ALA A 141 -11.453 -12.371 18.934 1.00 63.53 H new ATOM 0 HB3 ALA A 141 -12.746 -11.924 20.072 1.00 63.53 H new ATOM 2221 N ASP A 142 -15.060 -10.320 19.186 1.00 72.54 N ATOM 2222 CA ASP A 142 -16.496 -10.248 19.373 1.00 44.54 C ATOM 2223 C ASP A 142 -17.078 -8.952 18.802 1.00 11.30 C ATOM 2224 O ASP A 142 -18.050 -8.421 19.332 1.00 52.42 O ATOM 2225 CB ASP A 142 -16.803 -10.401 20.892 1.00 41.33 C ATOM 2226 CG ASP A 142 -18.273 -10.683 21.202 1.00 52.11 C ATOM 2227 OD1 ASP A 142 -18.844 -9.968 22.065 1.00 31.41 O ATOM 2228 OD2 ASP A 142 -18.815 -11.652 20.609 1.00 41.30 O ATOM 0 H ASP A 142 -14.526 -9.827 19.901 1.00 72.54 H new ATOM 0 HA ASP A 142 -16.975 -11.058 18.824 1.00 44.54 H new ATOM 0 HB2 ASP A 142 -16.195 -11.211 21.296 1.00 41.33 H new ATOM 0 HB3 ASP A 142 -16.502 -9.489 21.407 1.00 41.33 H new ATOM 2233 N THR A 143 -16.523 -8.397 17.699 1.00 31.45 N ATOM 2234 CA THR A 143 -17.069 -7.170 17.104 1.00 15.21 C ATOM 2235 C THR A 143 -18.497 -7.325 16.502 1.00 60.45 C ATOM 2236 O THR A 143 -18.745 -8.310 15.755 1.00 0.00 O ATOM 2237 CB THR A 143 -16.137 -6.535 16.063 1.00 61.23 C ATOM 2238 OG1 THR A 143 -16.670 -5.301 15.600 1.00 44.11 O ATOM 2239 CG2 THR A 143 -15.864 -7.441 14.846 1.00 44.05 C ATOM 2240 OXT THR A 143 -19.362 -6.462 16.818 1.00 0.00 O ATOM 0 H THR A 143 -15.710 -8.778 17.215 1.00 31.45 H new ATOM 0 HA THR A 143 -17.149 -6.496 17.957 1.00 15.21 H new ATOM 0 HB THR A 143 -15.189 -6.378 16.577 1.00 61.23 H new ATOM 0 HG1 THR A 143 -16.062 -4.910 14.938 1.00 44.11 H new ATOM 0 HG21 THR A 143 -15.198 -6.928 14.152 1.00 44.05 H new ATOM 0 HG22 THR A 143 -15.396 -8.367 15.180 1.00 44.05 H new ATOM 0 HG23 THR A 143 -16.804 -7.670 14.344 1.00 44.05 H new TER 2248 THR A 143