USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1052 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 20 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.02) USER MOD Set 1.2: A 84 SER OG : rot 113:sc= 0.832 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 46:sc= 0.0861 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 21 THR OG1 : rot -120:sc= 0.631 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.283! X(o=-0.28!,f=-0.54) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= -0.0547 (180deg=-0.301) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0136 (180deg=-0.187) USER MOD Single : A 38 ASN : amide:sc= -2.01! C(o=-2!,f=-7.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= 0.858 K(o=0.86,f=-7.3!) USER MOD Single : A 44 TYR OH : rot -15:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.00995 USER MOD Single : A 62 ASN :FLIP amide:sc= -1.24 F(o=-2.5!,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -1.85! C(o=-1.9!,f=-9.7!) USER MOD Single : A 71 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.4!) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 2.14 (180deg=1.67) USER MOD Single : A 81 CYS SG : rot 178:sc= -1.78! USER MOD Single : A 83 SER OG : rot -88:sc= 1.21 USER MOD Single : A 85 MET CE :methyl -130:sc= -11.4! (180deg=-13.3!) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.067 (180deg=-0.415) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= 0.706 (180deg=-1.64) USER MOD Single : A 91 CYS SG : rot -2:sc= -2.24! USER MOD Single : A 97 SER OG : rot -81:sc= 1.09 USER MOD Single : A 98 MET CE :methyl 162:sc= -0.0719 (180deg=-0.463) USER MOD Single : A 99 TYR OH : rot -100:sc= 1.15 USER MOD Single : A 101 TYR OH : rot -164:sc= 1.27 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.839 F(o=-3.3!,f=-0.84) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HD1:sc=-0.00788 X(o=-0.0079,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.0655 X(o=-0.065,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 133 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.932 -8.808 -7.612 1.00 5.93 N ATOM 2 CA MET A 1 5.564 -9.894 -6.829 1.00 5.55 C ATOM 3 C MET A 1 6.917 -9.430 -6.307 1.00 5.18 C ATOM 4 O MET A 1 7.173 -9.456 -5.103 1.00 5.39 O ATOM 5 CB MET A 1 5.722 -11.150 -7.697 1.00 5.94 C ATOM 6 CG MET A 1 6.049 -12.423 -6.922 1.00 6.32 C ATOM 7 SD MET A 1 7.741 -12.463 -6.289 1.00 7.08 S ATOM 8 CE MET A 1 7.739 -14.045 -5.448 1.00 7.48 C ATOM 0 H1 MET A 1 4.008 -9.128 -7.967 1.00 5.93 H new ATOM 0 H2 MET A 1 4.799 -7.974 -7.005 1.00 5.93 H new ATOM 0 H3 MET A 1 5.544 -8.558 -8.415 1.00 5.93 H new ATOM 0 HA MET A 1 4.926 -10.142 -5.980 1.00 5.55 H new ATOM 0 HB2 MET A 1 4.799 -11.308 -8.255 1.00 5.94 H new ATOM 0 HB3 MET A 1 6.511 -10.973 -8.428 1.00 5.94 H new ATOM 0 HG2 MET A 1 5.354 -12.520 -6.088 1.00 6.32 H new ATOM 0 HG3 MET A 1 5.891 -13.285 -7.570 1.00 6.32 H new ATOM 0 HE1 MET A 1 8.717 -14.221 -5.001 1.00 7.48 H new ATOM 0 HE2 MET A 1 6.979 -14.041 -4.667 1.00 7.48 H new ATOM 0 HE3 MET A 1 7.520 -14.837 -6.164 1.00 7.48 H new ATOM 20 N THR A 2 7.773 -8.991 -7.221 1.00 4.95 N ATOM 21 CA THR A 2 9.114 -8.559 -6.867 1.00 4.71 C ATOM 22 C THR A 2 9.096 -7.192 -6.188 1.00 3.87 C ATOM 23 O THR A 2 8.862 -6.167 -6.828 1.00 3.96 O ATOM 24 CB THR A 2 10.022 -8.520 -8.115 1.00 5.39 C ATOM 25 OG1 THR A 2 9.338 -7.894 -9.213 1.00 5.76 O ATOM 26 CG2 THR A 2 10.439 -9.926 -8.511 1.00 5.90 C ATOM 0 H THR A 2 7.559 -8.926 -8.216 1.00 4.95 H new ATOM 0 HA THR A 2 9.517 -9.284 -6.160 1.00 4.71 H new ATOM 0 HB THR A 2 10.912 -7.939 -7.871 1.00 5.39 H new ATOM 0 HG1 THR A 2 8.898 -7.076 -8.901 1.00 5.76 H new ATOM 0 HG21 THR A 2 11.079 -9.881 -9.392 1.00 5.90 H new ATOM 0 HG22 THR A 2 10.986 -10.388 -7.689 1.00 5.90 H new ATOM 0 HG23 THR A 2 9.552 -10.519 -8.736 1.00 5.90 H new ATOM 34 N THR A 3 9.308 -7.190 -4.884 1.00 3.53 N ATOM 35 CA THR A 3 9.364 -5.956 -4.128 1.00 3.16 C ATOM 36 C THR A 3 10.785 -5.406 -4.116 1.00 2.69 C ATOM 37 O THR A 3 11.700 -6.049 -3.597 1.00 3.09 O ATOM 38 CB THR A 3 8.902 -6.184 -2.676 1.00 3.92 C ATOM 39 OG1 THR A 3 7.588 -6.763 -2.664 1.00 4.44 O ATOM 40 CG2 THR A 3 8.899 -4.884 -1.882 1.00 4.35 C ATOM 0 H THR A 3 9.444 -8.033 -4.327 1.00 3.53 H new ATOM 0 HA THR A 3 8.698 -5.239 -4.608 1.00 3.16 H new ATOM 0 HB THR A 3 9.608 -6.868 -2.204 1.00 3.92 H new ATOM 0 HG1 THR A 3 7.302 -6.906 -1.738 1.00 4.44 H new ATOM 0 HG21 THR A 3 8.568 -5.081 -0.862 1.00 4.35 H new ATOM 0 HG22 THR A 3 9.906 -4.467 -1.862 1.00 4.35 H new ATOM 0 HG23 THR A 3 8.221 -4.172 -2.352 1.00 4.35 H new ATOM 48 N GLU A 4 10.974 -4.224 -4.685 1.00 2.34 N ATOM 49 CA GLU A 4 12.271 -3.570 -4.646 1.00 2.09 C ATOM 50 C GLU A 4 12.411 -2.805 -3.342 1.00 1.62 C ATOM 51 O GLU A 4 12.209 -1.589 -3.293 1.00 1.79 O ATOM 52 CB GLU A 4 12.456 -2.627 -5.836 1.00 2.45 C ATOM 53 CG GLU A 4 12.333 -3.314 -7.183 1.00 3.05 C ATOM 54 CD GLU A 4 12.575 -2.368 -8.340 1.00 3.65 C ATOM 55 OE1 GLU A 4 13.740 -2.223 -8.765 1.00 3.66 O ATOM 56 OE2 GLU A 4 11.604 -1.760 -8.827 1.00 4.44 O ATOM 0 H GLU A 4 10.249 -3.702 -5.176 1.00 2.34 H new ATOM 0 HA GLU A 4 13.046 -4.334 -4.708 1.00 2.09 H new ATOM 0 HB2 GLU A 4 11.715 -1.830 -5.775 1.00 2.45 H new ATOM 0 HB3 GLU A 4 13.437 -2.156 -5.766 1.00 2.45 H new ATOM 0 HG2 GLU A 4 13.047 -4.136 -7.235 1.00 3.05 H new ATOM 0 HG3 GLU A 4 11.338 -3.749 -7.276 1.00 3.05 H new ATOM 63 N GLN A 5 12.707 -3.536 -2.278 1.00 1.60 N ATOM 64 CA GLN A 5 12.817 -2.959 -0.947 1.00 1.37 C ATOM 65 C GLN A 5 14.005 -2.007 -0.884 1.00 1.11 C ATOM 66 O GLN A 5 15.124 -2.374 -1.248 1.00 1.32 O ATOM 67 CB GLN A 5 12.969 -4.076 0.094 1.00 1.77 C ATOM 68 CG GLN A 5 12.096 -3.902 1.328 1.00 2.47 C ATOM 69 CD GLN A 5 12.474 -2.699 2.169 1.00 3.35 C ATOM 70 OE1 GLN A 5 13.634 -2.300 2.227 1.00 3.77 O ATOM 71 NE2 GLN A 5 11.491 -2.111 2.828 1.00 4.15 N ATOM 0 H GLN A 5 12.877 -4.541 -2.312 1.00 1.60 H new ATOM 0 HA GLN A 5 11.911 -2.395 -0.727 1.00 1.37 H new ATOM 0 HB2 GLN A 5 12.729 -5.030 -0.376 1.00 1.77 H new ATOM 0 HB3 GLN A 5 14.012 -4.128 0.405 1.00 1.77 H new ATOM 0 HG2 GLN A 5 11.056 -3.806 1.017 1.00 2.47 H new ATOM 0 HG3 GLN A 5 12.164 -4.800 1.941 1.00 2.47 H new ATOM 0 HE21 GLN A 5 10.540 -2.472 2.754 1.00 4.15 H new ATOM 0 HE22 GLN A 5 11.683 -1.296 3.410 1.00 4.15 H new ATOM 80 N GLU A 6 13.757 -0.784 -0.441 1.00 1.06 N ATOM 81 CA GLU A 6 14.820 0.196 -0.300 1.00 1.21 C ATOM 82 C GLU A 6 15.603 -0.056 0.987 1.00 1.08 C ATOM 83 O GLU A 6 15.459 0.659 1.982 1.00 1.33 O ATOM 84 CB GLU A 6 14.251 1.617 -0.325 1.00 1.65 C ATOM 85 CG GLU A 6 15.316 2.702 -0.298 1.00 2.45 C ATOM 86 CD GLU A 6 14.733 4.093 -0.397 1.00 3.07 C ATOM 87 OE1 GLU A 6 14.208 4.599 0.619 1.00 3.52 O ATOM 88 OE2 GLU A 6 14.791 4.685 -1.499 1.00 3.61 O ATOM 0 H GLU A 6 12.832 -0.448 -0.174 1.00 1.06 H new ATOM 0 HA GLU A 6 15.503 0.094 -1.143 1.00 1.21 H new ATOM 0 HB2 GLU A 6 13.643 1.740 -1.221 1.00 1.65 H new ATOM 0 HB3 GLU A 6 13.589 1.749 0.531 1.00 1.65 H new ATOM 0 HG2 GLU A 6 15.891 2.618 0.624 1.00 2.45 H new ATOM 0 HG3 GLU A 6 16.011 2.544 -1.123 1.00 2.45 H new ATOM 95 N PHE A 7 16.400 -1.112 0.965 1.00 0.87 N ATOM 96 CA PHE A 7 17.233 -1.473 2.101 1.00 0.77 C ATOM 97 C PHE A 7 18.508 -0.645 2.122 1.00 0.72 C ATOM 98 O PHE A 7 18.827 0.058 1.159 1.00 0.87 O ATOM 99 CB PHE A 7 17.572 -2.967 2.072 1.00 0.77 C ATOM 100 CG PHE A 7 17.663 -3.555 0.687 1.00 1.61 C ATOM 101 CD1 PHE A 7 18.557 -3.053 -0.246 1.00 2.72 C ATOM 102 CD2 PHE A 7 16.844 -4.612 0.323 1.00 1.82 C ATOM 103 CE1 PHE A 7 18.633 -3.595 -1.513 1.00 3.60 C ATOM 104 CE2 PHE A 7 16.916 -5.157 -0.940 1.00 2.63 C ATOM 105 CZ PHE A 7 17.811 -4.649 -1.862 1.00 3.44 C ATOM 0 H PHE A 7 16.488 -1.739 0.165 1.00 0.87 H new ATOM 0 HA PHE A 7 16.670 -1.262 3.010 1.00 0.77 H new ATOM 0 HB2 PHE A 7 18.522 -3.122 2.583 1.00 0.77 H new ATOM 0 HB3 PHE A 7 16.814 -3.511 2.636 1.00 0.77 H new ATOM 0 HD1 PHE A 7 19.201 -2.229 0.022 1.00 2.72 H new ATOM 0 HD2 PHE A 7 16.141 -5.013 1.038 1.00 1.82 H new ATOM 0 HE1 PHE A 7 19.334 -3.196 -2.231 1.00 3.60 H new ATOM 0 HE2 PHE A 7 16.273 -5.982 -1.210 1.00 2.63 H new ATOM 0 HZ PHE A 7 17.868 -5.075 -2.853 1.00 3.44 H new ATOM 115 N GLU A 8 19.237 -0.740 3.220 1.00 0.72 N ATOM 116 CA GLU A 8 20.458 0.018 3.396 1.00 0.76 C ATOM 117 C GLU A 8 21.649 -0.928 3.500 1.00 0.62 C ATOM 118 O GLU A 8 21.490 -2.111 3.810 1.00 0.61 O ATOM 119 CB GLU A 8 20.350 0.892 4.652 1.00 1.01 C ATOM 120 CG GLU A 8 21.497 1.877 4.820 1.00 1.20 C ATOM 121 CD GLU A 8 21.627 2.816 3.639 1.00 1.97 C ATOM 122 OE1 GLU A 8 20.993 3.892 3.658 1.00 2.22 O ATOM 123 OE2 GLU A 8 22.371 2.488 2.692 1.00 2.71 O ATOM 0 H GLU A 8 18.999 -1.341 4.009 1.00 0.72 H new ATOM 0 HA GLU A 8 20.607 0.666 2.532 1.00 0.76 H new ATOM 0 HB2 GLU A 8 19.411 1.445 4.618 1.00 1.01 H new ATOM 0 HB3 GLU A 8 20.308 0.246 5.529 1.00 1.01 H new ATOM 0 HG2 GLU A 8 21.343 2.459 5.729 1.00 1.20 H new ATOM 0 HG3 GLU A 8 22.429 1.327 4.948 1.00 1.20 H new ATOM 130 N LYS A 9 22.834 -0.409 3.222 1.00 0.60 N ATOM 131 CA LYS A 9 24.057 -1.187 3.336 1.00 0.53 C ATOM 132 C LYS A 9 24.774 -0.800 4.622 1.00 0.50 C ATOM 133 O LYS A 9 24.701 0.351 5.059 1.00 0.56 O ATOM 134 CB LYS A 9 24.987 -0.954 2.134 1.00 0.63 C ATOM 135 CG LYS A 9 24.296 -1.037 0.777 1.00 0.72 C ATOM 136 CD LYS A 9 23.653 0.291 0.404 1.00 0.95 C ATOM 137 CE LYS A 9 23.004 0.249 -0.968 1.00 1.49 C ATOM 138 NZ LYS A 9 22.433 1.569 -1.343 1.00 1.88 N ATOM 0 H LYS A 9 22.975 0.553 2.914 1.00 0.60 H new ATOM 0 HA LYS A 9 23.793 -2.244 3.353 1.00 0.53 H new ATOM 0 HB2 LYS A 9 25.449 0.028 2.233 1.00 0.63 H new ATOM 0 HB3 LYS A 9 25.791 -1.689 2.164 1.00 0.63 H new ATOM 0 HG2 LYS A 9 25.021 -1.320 0.014 1.00 0.72 H new ATOM 0 HG3 LYS A 9 23.536 -1.818 0.800 1.00 0.72 H new ATOM 0 HD2 LYS A 9 22.903 0.552 1.151 1.00 0.95 H new ATOM 0 HD3 LYS A 9 24.409 1.076 0.423 1.00 0.95 H new ATOM 0 HE2 LYS A 9 23.742 -0.053 -1.711 1.00 1.49 H new ATOM 0 HE3 LYS A 9 22.216 -0.504 -0.976 1.00 1.49 H new ATOM 0 HZ1 LYS A 9 21.998 1.504 -2.285 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 21.712 1.846 -0.647 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 23.190 2.282 -1.359 1.00 1.88 H new ATOM 152 N VAL A 10 25.473 -1.744 5.225 1.00 0.46 N ATOM 153 CA VAL A 10 26.148 -1.475 6.478 1.00 0.46 C ATOM 154 C VAL A 10 27.632 -1.235 6.234 1.00 0.48 C ATOM 155 O VAL A 10 28.380 -2.148 5.881 1.00 0.54 O ATOM 156 CB VAL A 10 25.964 -2.623 7.489 1.00 0.51 C ATOM 157 CG1 VAL A 10 26.462 -2.201 8.859 1.00 0.54 C ATOM 158 CG2 VAL A 10 24.505 -3.056 7.555 1.00 0.59 C ATOM 0 H VAL A 10 25.587 -2.694 4.871 1.00 0.46 H new ATOM 0 HA VAL A 10 25.697 -0.579 6.906 1.00 0.46 H new ATOM 0 HB VAL A 10 26.553 -3.477 7.154 1.00 0.51 H new ATOM 0 HG11 VAL A 10 26.326 -3.021 9.564 1.00 0.54 H new ATOM 0 HG12 VAL A 10 27.520 -1.946 8.799 1.00 0.54 H new ATOM 0 HG13 VAL A 10 25.898 -1.333 9.200 1.00 0.54 H new ATOM 0 HG21 VAL A 10 24.399 -3.867 8.275 1.00 0.59 H new ATOM 0 HG22 VAL A 10 23.889 -2.212 7.865 1.00 0.59 H new ATOM 0 HG23 VAL A 10 24.182 -3.399 6.572 1.00 0.59 H new ATOM 168 N GLU A 11 28.032 0.015 6.402 1.00 0.53 N ATOM 169 CA GLU A 11 29.389 0.447 6.112 1.00 0.63 C ATOM 170 C GLU A 11 30.345 0.083 7.244 1.00 0.55 C ATOM 171 O GLU A 11 30.397 0.773 8.262 1.00 0.59 O ATOM 172 CB GLU A 11 29.393 1.955 5.873 1.00 0.88 C ATOM 173 CG GLU A 11 28.562 2.379 4.671 1.00 1.37 C ATOM 174 CD GLU A 11 28.148 3.830 4.745 1.00 1.72 C ATOM 175 OE1 GLU A 11 29.024 4.701 4.563 1.00 2.02 O ATOM 176 OE2 GLU A 11 26.949 4.109 4.957 1.00 2.16 O ATOM 0 H GLU A 11 27.424 0.759 6.744 1.00 0.53 H new ATOM 0 HA GLU A 11 29.736 -0.068 5.217 1.00 0.63 H new ATOM 0 HB2 GLU A 11 29.014 2.457 6.763 1.00 0.88 H new ATOM 0 HB3 GLU A 11 30.420 2.290 5.731 1.00 0.88 H new ATOM 0 HG2 GLU A 11 29.135 2.213 3.759 1.00 1.37 H new ATOM 0 HG3 GLU A 11 27.673 1.752 4.607 1.00 1.37 H new ATOM 183 N LEU A 12 31.085 -1.014 7.053 1.00 0.52 N ATOM 184 CA LEU A 12 32.081 -1.489 8.019 1.00 0.51 C ATOM 185 C LEU A 12 31.488 -1.598 9.418 1.00 0.52 C ATOM 186 O LEU A 12 31.677 -0.723 10.261 1.00 0.61 O ATOM 187 CB LEU A 12 33.312 -0.577 8.035 1.00 0.57 C ATOM 188 CG LEU A 12 34.082 -0.495 6.713 1.00 0.88 C ATOM 189 CD1 LEU A 12 35.240 0.486 6.831 1.00 1.35 C ATOM 190 CD2 LEU A 12 34.592 -1.871 6.306 1.00 1.45 C ATOM 0 H LEU A 12 31.010 -1.599 6.221 1.00 0.52 H new ATOM 0 HA LEU A 12 32.392 -2.484 7.702 1.00 0.51 H new ATOM 0 HB2 LEU A 12 32.996 0.428 8.316 1.00 0.57 H new ATOM 0 HB3 LEU A 12 33.992 -0.926 8.812 1.00 0.57 H new ATOM 0 HG LEU A 12 33.402 -0.136 5.941 1.00 0.88 H new ATOM 0 HD11 LEU A 12 35.776 0.532 5.883 1.00 1.35 H new ATOM 0 HD12 LEU A 12 34.855 1.475 7.078 1.00 1.35 H new ATOM 0 HD13 LEU A 12 35.919 0.154 7.616 1.00 1.35 H new ATOM 0 HD21 LEU A 12 35.136 -1.794 5.365 1.00 1.45 H new ATOM 0 HD22 LEU A 12 35.257 -2.256 7.079 1.00 1.45 H new ATOM 0 HD23 LEU A 12 33.748 -2.550 6.182 1.00 1.45 H new ATOM 202 N THR A 13 30.754 -2.671 9.648 1.00 0.50 N ATOM 203 CA THR A 13 30.073 -2.871 10.914 1.00 0.56 C ATOM 204 C THR A 13 30.969 -3.623 11.904 1.00 0.53 C ATOM 205 O THR A 13 32.070 -4.051 11.556 1.00 0.50 O ATOM 206 CB THR A 13 28.747 -3.630 10.698 1.00 0.68 C ATOM 207 OG1 THR A 13 28.011 -3.732 11.923 1.00 0.78 O ATOM 208 CG2 THR A 13 29.001 -5.017 10.126 1.00 0.69 C ATOM 0 H THR A 13 30.614 -3.421 8.971 1.00 0.50 H new ATOM 0 HA THR A 13 29.848 -1.893 11.338 1.00 0.56 H new ATOM 0 HB THR A 13 28.154 -3.062 9.981 1.00 0.68 H new ATOM 0 HG1 THR A 13 27.174 -4.215 11.762 1.00 0.78 H new ATOM 0 HG21 THR A 13 28.051 -5.531 9.983 1.00 0.69 H new ATOM 0 HG22 THR A 13 29.513 -4.927 9.168 1.00 0.69 H new ATOM 0 HG23 THR A 13 29.622 -5.587 10.817 1.00 0.69 H new ATOM 216 N ALA A 14 30.469 -3.812 13.121 1.00 0.61 N ATOM 217 CA ALA A 14 31.254 -4.383 14.210 1.00 0.66 C ATOM 218 C ALA A 14 31.420 -5.892 14.059 1.00 0.69 C ATOM 219 O ALA A 14 32.117 -6.525 14.850 1.00 0.79 O ATOM 220 CB ALA A 14 30.599 -4.056 15.542 1.00 0.81 C ATOM 0 H ALA A 14 29.511 -3.575 13.380 1.00 0.61 H new ATOM 0 HA ALA A 14 32.249 -3.940 14.174 1.00 0.66 H new ATOM 0 HB1 ALA A 14 31.189 -4.484 16.352 1.00 0.81 H new ATOM 0 HB2 ALA A 14 30.545 -2.974 15.665 1.00 0.81 H new ATOM 0 HB3 ALA A 14 29.593 -4.474 15.565 1.00 0.81 H new ATOM 226 N ASP A 15 30.788 -6.465 13.041 1.00 0.71 N ATOM 227 CA ASP A 15 30.915 -7.896 12.773 1.00 0.85 C ATOM 228 C ASP A 15 32.266 -8.206 12.129 1.00 0.74 C ATOM 229 O ASP A 15 32.550 -9.353 11.797 1.00 0.86 O ATOM 230 CB ASP A 15 29.796 -8.404 11.848 1.00 1.08 C ATOM 231 CG ASP A 15 28.395 -8.182 12.393 1.00 1.69 C ATOM 232 OD1 ASP A 15 27.996 -8.925 13.314 1.00 1.87 O ATOM 233 OD2 ASP A 15 27.704 -7.249 11.938 1.00 2.40 O ATOM 0 H ASP A 15 30.184 -5.964 12.389 1.00 0.71 H new ATOM 0 HA ASP A 15 30.835 -8.406 13.733 1.00 0.85 H new ATOM 0 HB2 ASP A 15 29.882 -7.905 10.883 1.00 1.08 H new ATOM 0 HB3 ASP A 15 29.941 -9.470 11.671 1.00 1.08 H new ATOM 238 N GLY A 16 33.105 -7.185 11.962 1.00 0.64 N ATOM 239 CA GLY A 16 34.406 -7.389 11.346 1.00 0.68 C ATOM 240 C GLY A 16 34.626 -6.536 10.109 1.00 0.57 C ATOM 241 O GLY A 16 35.605 -6.723 9.386 1.00 0.63 O ATOM 0 H GLY A 16 32.908 -6.224 12.241 1.00 0.64 H new ATOM 0 HA2 GLY A 16 35.185 -7.166 12.076 1.00 0.68 H new ATOM 0 HA3 GLY A 16 34.512 -8.440 11.078 1.00 0.68 H new ATOM 245 N GLY A 17 33.713 -5.606 9.860 1.00 0.54 N ATOM 246 CA GLY A 17 33.911 -4.626 8.807 1.00 0.52 C ATOM 247 C GLY A 17 33.713 -5.167 7.399 1.00 0.46 C ATOM 248 O GLY A 17 34.640 -5.167 6.598 1.00 0.61 O ATOM 0 H GLY A 17 32.835 -5.512 10.370 1.00 0.54 H new ATOM 0 HA2 GLY A 17 33.221 -3.797 8.965 1.00 0.52 H new ATOM 0 HA3 GLY A 17 34.920 -4.221 8.889 1.00 0.52 H new ATOM 252 N VAL A 18 32.498 -5.600 7.091 1.00 0.36 N ATOM 253 CA VAL A 18 32.149 -6.003 5.732 1.00 0.34 C ATOM 254 C VAL A 18 30.802 -5.400 5.340 1.00 0.32 C ATOM 255 O VAL A 18 29.934 -5.198 6.193 1.00 0.36 O ATOM 256 CB VAL A 18 32.131 -7.550 5.569 1.00 0.40 C ATOM 257 CG1 VAL A 18 31.393 -7.986 4.312 1.00 0.47 C ATOM 258 CG2 VAL A 18 33.551 -8.089 5.533 1.00 0.49 C ATOM 0 H VAL A 18 31.735 -5.682 7.763 1.00 0.36 H new ATOM 0 HA VAL A 18 32.920 -5.622 5.062 1.00 0.34 H new ATOM 0 HB VAL A 18 31.599 -7.957 6.429 1.00 0.40 H new ATOM 0 HG11 VAL A 18 31.407 -9.074 4.241 1.00 0.47 H new ATOM 0 HG12 VAL A 18 30.361 -7.638 4.357 1.00 0.47 H new ATOM 0 HG13 VAL A 18 31.882 -7.559 3.436 1.00 0.47 H new ATOM 0 HG21 VAL A 18 33.526 -9.173 5.419 1.00 0.49 H new ATOM 0 HG22 VAL A 18 34.086 -7.648 4.692 1.00 0.49 H new ATOM 0 HG23 VAL A 18 34.061 -7.834 6.462 1.00 0.49 H new ATOM 268 N ILE A 19 30.638 -5.105 4.054 1.00 0.31 N ATOM 269 CA ILE A 19 29.431 -4.463 3.551 1.00 0.31 C ATOM 270 C ILE A 19 28.352 -5.505 3.266 1.00 0.30 C ATOM 271 O ILE A 19 28.462 -6.296 2.331 1.00 0.30 O ATOM 272 CB ILE A 19 29.727 -3.670 2.257 1.00 0.34 C ATOM 273 CG1 ILE A 19 30.934 -2.741 2.456 1.00 0.41 C ATOM 274 CG2 ILE A 19 28.505 -2.870 1.830 1.00 0.36 C ATOM 275 CD1 ILE A 19 30.733 -1.680 3.522 1.00 0.47 C ATOM 0 H ILE A 19 31.335 -5.303 3.336 1.00 0.31 H new ATOM 0 HA ILE A 19 29.077 -3.773 4.317 1.00 0.31 H new ATOM 0 HB ILE A 19 29.967 -4.381 1.467 1.00 0.34 H new ATOM 0 HG12 ILE A 19 31.803 -3.344 2.719 1.00 0.41 H new ATOM 0 HG13 ILE A 19 31.161 -2.251 1.509 1.00 0.41 H new ATOM 0 HG21 ILE A 19 28.732 -2.318 0.918 1.00 0.36 H new ATOM 0 HG22 ILE A 19 27.672 -3.549 1.646 1.00 0.36 H new ATOM 0 HG23 ILE A 19 28.235 -2.169 2.620 1.00 0.36 H new ATOM 0 HD11 ILE A 19 31.631 -1.067 3.599 1.00 0.47 H new ATOM 0 HD12 ILE A 19 29.886 -1.050 3.253 1.00 0.47 H new ATOM 0 HD13 ILE A 19 30.538 -2.160 4.481 1.00 0.47 H new ATOM 287 N LYS A 20 27.315 -5.503 4.084 1.00 0.33 N ATOM 288 CA LYS A 20 26.209 -6.429 3.920 1.00 0.37 C ATOM 289 C LYS A 20 24.898 -5.669 3.782 1.00 0.33 C ATOM 290 O LYS A 20 24.743 -4.574 4.325 1.00 0.37 O ATOM 291 CB LYS A 20 26.141 -7.414 5.090 1.00 0.53 C ATOM 292 CG LYS A 20 26.157 -6.751 6.456 1.00 0.59 C ATOM 293 CD LYS A 20 26.013 -7.778 7.566 1.00 0.76 C ATOM 294 CE LYS A 20 26.290 -7.156 8.922 1.00 0.83 C ATOM 295 NZ LYS A 20 26.078 -8.106 10.042 1.00 1.34 N ATOM 0 H LYS A 20 27.216 -4.866 4.874 1.00 0.33 H new ATOM 0 HA LYS A 20 26.376 -7.002 3.008 1.00 0.37 H new ATOM 0 HB2 LYS A 20 25.233 -8.010 4.997 1.00 0.53 H new ATOM 0 HB3 LYS A 20 26.983 -8.103 5.022 1.00 0.53 H new ATOM 0 HG2 LYS A 20 27.089 -6.200 6.585 1.00 0.59 H new ATOM 0 HG3 LYS A 20 25.346 -6.025 6.521 1.00 0.59 H new ATOM 0 HD2 LYS A 20 25.006 -8.195 7.552 1.00 0.76 H new ATOM 0 HD3 LYS A 20 26.702 -8.604 7.393 1.00 0.76 H new ATOM 0 HE2 LYS A 20 27.318 -6.794 8.948 1.00 0.83 H new ATOM 0 HE3 LYS A 20 25.643 -6.289 9.059 1.00 0.83 H new ATOM 0 HZ1 LYS A 20 26.393 -7.670 10.932 1.00 1.34 H new ATOM 0 HZ2 LYS A 20 25.067 -8.341 10.111 1.00 1.34 H new ATOM 0 HZ3 LYS A 20 26.625 -8.974 9.869 1.00 1.34 H new ATOM 309 N THR A 21 23.979 -6.239 3.021 1.00 0.34 N ATOM 310 CA THR A 21 22.690 -5.623 2.772 1.00 0.36 C ATOM 311 C THR A 21 21.583 -6.396 3.493 1.00 0.36 C ATOM 312 O THR A 21 21.436 -7.607 3.309 1.00 0.40 O ATOM 313 CB THR A 21 22.403 -5.578 1.260 1.00 0.44 C ATOM 314 OG1 THR A 21 23.557 -5.085 0.557 1.00 0.49 O ATOM 315 CG2 THR A 21 21.214 -4.684 0.970 1.00 0.50 C ATOM 0 H THR A 21 24.107 -7.140 2.560 1.00 0.34 H new ATOM 0 HA THR A 21 22.714 -4.603 3.156 1.00 0.36 H new ATOM 0 HB THR A 21 22.175 -6.589 0.922 1.00 0.44 H new ATOM 0 HG1 THR A 21 23.319 -4.269 0.069 1.00 0.49 H new ATOM 0 HG21 THR A 21 21.027 -4.665 -0.104 1.00 0.50 H new ATOM 0 HG22 THR A 21 20.334 -5.070 1.485 1.00 0.50 H new ATOM 0 HG23 THR A 21 21.425 -3.673 1.320 1.00 0.50 H new ATOM 323 N ILE A 22 20.821 -5.693 4.322 1.00 0.40 N ATOM 324 CA ILE A 22 19.748 -6.314 5.089 1.00 0.43 C ATOM 325 C ILE A 22 18.537 -6.604 4.199 1.00 0.44 C ATOM 326 O ILE A 22 17.898 -5.696 3.677 1.00 0.55 O ATOM 327 CB ILE A 22 19.342 -5.426 6.296 1.00 0.56 C ATOM 328 CG1 ILE A 22 18.136 -6.016 7.035 1.00 0.63 C ATOM 329 CG2 ILE A 22 19.067 -3.988 5.863 1.00 0.67 C ATOM 330 CD1 ILE A 22 18.435 -7.315 7.754 1.00 0.66 C ATOM 0 H ILE A 22 20.926 -4.691 4.481 1.00 0.40 H new ATOM 0 HA ILE A 22 20.120 -7.263 5.476 1.00 0.43 H new ATOM 0 HB ILE A 22 20.185 -5.408 6.987 1.00 0.56 H new ATOM 0 HG12 ILE A 22 17.773 -5.286 7.759 1.00 0.63 H new ATOM 0 HG13 ILE A 22 17.330 -6.184 6.320 1.00 0.63 H new ATOM 0 HG21 ILE A 22 18.785 -3.394 6.732 1.00 0.67 H new ATOM 0 HG22 ILE A 22 19.965 -3.566 5.410 1.00 0.67 H new ATOM 0 HG23 ILE A 22 18.254 -3.976 5.137 1.00 0.67 H new ATOM 0 HD11 ILE A 22 17.534 -7.670 8.253 1.00 0.66 H new ATOM 0 HD12 ILE A 22 18.769 -8.061 7.033 1.00 0.66 H new ATOM 0 HD13 ILE A 22 19.218 -7.149 8.494 1.00 0.66 H new ATOM 342 N LEU A 23 18.247 -7.882 4.009 1.00 0.41 N ATOM 343 CA LEU A 23 17.114 -8.294 3.188 1.00 0.47 C ATOM 344 C LEU A 23 15.919 -8.645 4.066 1.00 0.50 C ATOM 345 O LEU A 23 14.857 -8.028 3.972 1.00 0.67 O ATOM 346 CB LEU A 23 17.496 -9.488 2.308 1.00 0.54 C ATOM 347 CG LEU A 23 17.931 -9.152 0.875 1.00 0.53 C ATOM 348 CD1 LEU A 23 16.747 -8.630 0.070 1.00 0.83 C ATOM 349 CD2 LEU A 23 19.067 -8.134 0.873 1.00 0.64 C ATOM 0 H LEU A 23 18.779 -8.653 4.411 1.00 0.41 H new ATOM 0 HA LEU A 23 16.837 -7.461 2.542 1.00 0.47 H new ATOM 0 HB2 LEU A 23 18.307 -10.030 2.796 1.00 0.54 H new ATOM 0 HB3 LEU A 23 16.644 -10.166 2.259 1.00 0.54 H new ATOM 0 HG LEU A 23 18.296 -10.067 0.408 1.00 0.53 H new ATOM 0 HD11 LEU A 23 17.071 -8.396 -0.944 1.00 0.83 H new ATOM 0 HD12 LEU A 23 15.967 -9.391 0.035 1.00 0.83 H new ATOM 0 HD13 LEU A 23 16.355 -7.729 0.542 1.00 0.83 H new ATOM 0 HD21 LEU A 23 19.356 -7.914 -0.155 1.00 0.64 H new ATOM 0 HD22 LEU A 23 18.735 -7.218 1.361 1.00 0.64 H new ATOM 0 HD23 LEU A 23 19.923 -8.542 1.411 1.00 0.64 H new ATOM 361 N LYS A 24 16.097 -9.642 4.924 1.00 0.49 N ATOM 362 CA LYS A 24 15.050 -10.037 5.850 1.00 0.60 C ATOM 363 C LYS A 24 15.541 -9.898 7.284 1.00 0.60 C ATOM 364 O LYS A 24 16.646 -10.323 7.609 1.00 0.76 O ATOM 365 CB LYS A 24 14.607 -11.482 5.605 1.00 0.78 C ATOM 366 CG LYS A 24 13.417 -11.888 6.463 1.00 1.05 C ATOM 367 CD LYS A 24 13.326 -13.392 6.642 1.00 1.11 C ATOM 368 CE LYS A 24 13.116 -14.114 5.327 1.00 1.12 C ATOM 369 NZ LYS A 24 12.846 -15.557 5.545 1.00 1.56 N ATOM 0 H LYS A 24 16.955 -10.189 4.996 1.00 0.49 H new ATOM 0 HA LYS A 24 14.196 -9.380 5.686 1.00 0.60 H new ATOM 0 HB2 LYS A 24 14.349 -11.605 4.553 1.00 0.78 H new ATOM 0 HB3 LYS A 24 15.442 -12.153 5.809 1.00 0.78 H new ATOM 0 HG2 LYS A 24 13.496 -11.412 7.440 1.00 1.05 H new ATOM 0 HG3 LYS A 24 12.499 -11.522 6.004 1.00 1.05 H new ATOM 0 HD2 LYS A 24 14.239 -13.756 7.112 1.00 1.11 H new ATOM 0 HD3 LYS A 24 12.504 -13.626 7.318 1.00 1.11 H new ATOM 0 HE2 LYS A 24 12.282 -13.662 4.790 1.00 1.12 H new ATOM 0 HE3 LYS A 24 14.000 -13.997 4.700 1.00 1.12 H new ATOM 0 HZ1 LYS A 24 12.706 -16.026 4.628 1.00 1.56 H new ATOM 0 HZ2 LYS A 24 13.653 -15.991 6.036 1.00 1.56 H new ATOM 0 HZ3 LYS A 24 11.989 -15.666 6.124 1.00 1.56 H new ATOM 383 N LYS A 25 14.716 -9.308 8.125 1.00 0.61 N ATOM 384 CA LYS A 25 15.053 -9.129 9.525 1.00 0.64 C ATOM 385 C LYS A 25 14.249 -10.095 10.388 1.00 0.72 C ATOM 386 O LYS A 25 13.019 -10.138 10.306 1.00 0.90 O ATOM 387 CB LYS A 25 14.801 -7.674 9.936 1.00 0.76 C ATOM 388 CG LYS A 25 13.410 -7.174 9.586 1.00 1.52 C ATOM 389 CD LYS A 25 13.326 -5.659 9.636 1.00 1.72 C ATOM 390 CE LYS A 25 11.971 -5.166 9.156 1.00 2.60 C ATOM 391 NZ LYS A 25 11.961 -3.699 8.918 1.00 2.95 N ATOM 0 H LYS A 25 13.801 -8.942 7.862 1.00 0.61 H new ATOM 0 HA LYS A 25 16.110 -9.349 9.674 1.00 0.64 H new ATOM 0 HB2 LYS A 25 14.952 -7.578 11.011 1.00 0.76 H new ATOM 0 HB3 LYS A 25 15.540 -7.036 9.452 1.00 0.76 H new ATOM 0 HG2 LYS A 25 13.140 -7.520 8.588 1.00 1.52 H new ATOM 0 HG3 LYS A 25 12.685 -7.601 10.279 1.00 1.52 H new ATOM 0 HD2 LYS A 25 13.500 -5.316 10.656 1.00 1.72 H new ATOM 0 HD3 LYS A 25 14.113 -5.228 9.017 1.00 1.72 H new ATOM 0 HE2 LYS A 25 11.703 -5.684 8.235 1.00 2.60 H new ATOM 0 HE3 LYS A 25 11.211 -5.418 9.896 1.00 2.60 H new ATOM 0 HZ1 LYS A 25 11.018 -3.407 8.592 1.00 2.95 H new ATOM 0 HZ2 LYS A 25 12.191 -3.202 9.802 1.00 2.95 H new ATOM 0 HZ3 LYS A 25 12.667 -3.460 8.193 1.00 2.95 H new ATOM 405 N GLY A 26 14.947 -10.892 11.179 1.00 0.69 N ATOM 406 CA GLY A 26 14.279 -11.840 12.049 1.00 0.85 C ATOM 407 C GLY A 26 13.857 -11.203 13.355 1.00 0.88 C ATOM 408 O GLY A 26 14.369 -10.146 13.722 1.00 1.32 O ATOM 0 H GLY A 26 15.965 -10.901 11.236 1.00 0.69 H new ATOM 0 HA2 GLY A 26 13.403 -12.244 11.542 1.00 0.85 H new ATOM 0 HA3 GLY A 26 14.945 -12.679 12.252 1.00 0.85 H new ATOM 412 N ASP A 27 12.932 -11.846 14.057 1.00 0.84 N ATOM 413 CA ASP A 27 12.403 -11.310 15.309 1.00 1.01 C ATOM 414 C ASP A 27 13.472 -11.319 16.392 1.00 0.93 C ATOM 415 O ASP A 27 13.936 -10.269 16.828 1.00 1.24 O ATOM 416 CB ASP A 27 11.192 -12.120 15.783 1.00 1.33 C ATOM 417 CG ASP A 27 10.152 -12.309 14.699 1.00 2.08 C ATOM 418 OD1 ASP A 27 9.320 -11.395 14.513 1.00 2.38 O ATOM 419 OD2 ASP A 27 10.157 -13.362 14.031 1.00 2.77 O ATOM 0 H ASP A 27 12.530 -12.742 13.781 1.00 0.84 H new ATOM 0 HA ASP A 27 12.091 -10.283 15.122 1.00 1.01 H new ATOM 0 HB2 ASP A 27 11.528 -13.096 16.132 1.00 1.33 H new ATOM 0 HB3 ASP A 27 10.735 -11.617 16.635 1.00 1.33 H new ATOM 424 N GLU A 28 13.875 -12.513 16.810 1.00 0.91 N ATOM 425 CA GLU A 28 14.863 -12.649 17.867 1.00 0.91 C ATOM 426 C GLU A 28 15.878 -13.732 17.523 1.00 0.96 C ATOM 427 O GLU A 28 15.821 -14.337 16.451 1.00 1.22 O ATOM 428 CB GLU A 28 14.184 -12.971 19.201 1.00 1.11 C ATOM 429 CG GLU A 28 13.657 -14.395 19.301 1.00 1.59 C ATOM 430 CD GLU A 28 14.160 -15.096 20.545 1.00 2.09 C ATOM 431 OE1 GLU A 28 15.301 -15.603 20.525 1.00 2.56 O ATOM 432 OE2 GLU A 28 13.406 -15.169 21.535 1.00 2.64 O ATOM 0 H GLU A 28 13.533 -13.397 16.433 1.00 0.91 H new ATOM 0 HA GLU A 28 15.388 -11.698 17.961 1.00 0.91 H new ATOM 0 HB2 GLU A 28 14.895 -12.800 20.009 1.00 1.11 H new ATOM 0 HB3 GLU A 28 13.357 -12.277 19.353 1.00 1.11 H new ATOM 0 HG2 GLU A 28 12.567 -14.379 19.309 1.00 1.59 H new ATOM 0 HG3 GLU A 28 13.962 -14.958 18.419 1.00 1.59 H new ATOM 439 N GLY A 29 16.797 -13.965 18.446 1.00 0.88 N ATOM 440 CA GLY A 29 17.807 -14.981 18.268 1.00 1.04 C ATOM 441 C GLY A 29 18.625 -15.167 19.525 1.00 0.79 C ATOM 442 O GLY A 29 19.845 -15.236 19.472 1.00 0.90 O ATOM 0 H GLY A 29 16.859 -13.458 19.329 1.00 0.88 H new ATOM 0 HA2 GLY A 29 17.333 -15.924 17.997 1.00 1.04 H new ATOM 0 HA3 GLY A 29 18.463 -14.705 17.442 1.00 1.04 H new ATOM 446 N GLU A 30 17.944 -15.247 20.659 1.00 0.73 N ATOM 447 CA GLU A 30 18.616 -15.347 21.949 1.00 0.80 C ATOM 448 C GLU A 30 19.364 -16.672 22.062 1.00 0.78 C ATOM 449 O GLU A 30 20.493 -16.726 22.544 1.00 0.96 O ATOM 450 CB GLU A 30 17.589 -15.219 23.081 1.00 1.08 C ATOM 451 CG GLU A 30 18.201 -15.195 24.474 1.00 1.35 C ATOM 452 CD GLU A 30 19.054 -13.970 24.723 1.00 1.68 C ATOM 453 OE1 GLU A 30 18.492 -12.896 25.017 1.00 1.89 O ATOM 454 OE2 GLU A 30 20.296 -14.075 24.615 1.00 2.29 O ATOM 0 H GLU A 30 16.925 -15.245 20.713 1.00 0.73 H new ATOM 0 HA GLU A 30 19.340 -14.537 22.031 1.00 0.80 H new ATOM 0 HB2 GLU A 30 17.013 -14.306 22.933 1.00 1.08 H new ATOM 0 HB3 GLU A 30 16.888 -16.052 23.018 1.00 1.08 H new ATOM 0 HG2 GLU A 30 17.404 -15.233 25.216 1.00 1.35 H new ATOM 0 HG3 GLU A 30 18.809 -16.089 24.613 1.00 1.35 H new ATOM 461 N GLU A 31 18.735 -17.739 21.598 1.00 0.76 N ATOM 462 CA GLU A 31 19.344 -19.060 21.633 1.00 0.86 C ATOM 463 C GLU A 31 19.607 -19.544 20.216 1.00 0.78 C ATOM 464 O GLU A 31 19.660 -20.743 19.950 1.00 1.11 O ATOM 465 CB GLU A 31 18.429 -20.037 22.370 1.00 1.09 C ATOM 466 CG GLU A 31 18.144 -19.623 23.804 1.00 1.56 C ATOM 467 CD GLU A 31 17.194 -20.568 24.504 1.00 2.17 C ATOM 468 OE1 GLU A 31 15.968 -20.412 24.343 1.00 2.64 O ATOM 469 OE2 GLU A 31 17.665 -21.462 25.237 1.00 2.54 O ATOM 0 H GLU A 31 17.800 -17.717 21.191 1.00 0.76 H new ATOM 0 HA GLU A 31 20.293 -19.004 22.166 1.00 0.86 H new ATOM 0 HB2 GLU A 31 17.487 -20.121 21.829 1.00 1.09 H new ATOM 0 HB3 GLU A 31 18.887 -21.026 22.368 1.00 1.09 H new ATOM 0 HG2 GLU A 31 19.081 -19.579 24.359 1.00 1.56 H new ATOM 0 HG3 GLU A 31 17.722 -18.618 23.811 1.00 1.56 H new ATOM 476 N ASN A 32 19.770 -18.591 19.314 1.00 0.51 N ATOM 477 CA ASN A 32 20.010 -18.879 17.906 1.00 0.55 C ATOM 478 C ASN A 32 21.115 -17.978 17.369 1.00 0.49 C ATOM 479 O ASN A 32 20.842 -16.962 16.729 1.00 0.57 O ATOM 480 CB ASN A 32 18.724 -18.681 17.092 1.00 0.71 C ATOM 481 CG ASN A 32 17.931 -19.965 16.875 1.00 0.95 C ATOM 482 OD1 ASN A 32 17.173 -20.075 15.915 1.00 1.45 O ATOM 483 ND2 ASN A 32 18.111 -20.951 17.741 1.00 1.19 N ATOM 0 H ASN A 32 19.740 -17.596 19.535 1.00 0.51 H new ATOM 0 HA ASN A 32 20.324 -19.918 17.811 1.00 0.55 H new ATOM 0 HB2 ASN A 32 18.090 -17.955 17.602 1.00 0.71 H new ATOM 0 HB3 ASN A 32 18.981 -18.255 16.122 1.00 0.71 H new ATOM 0 HD21 ASN A 32 17.613 -21.833 17.620 1.00 1.19 H new ATOM 0 HD22 ASN A 32 18.748 -20.828 18.528 1.00 1.19 H new ATOM 490 N ILE A 33 22.360 -18.346 17.654 1.00 0.47 N ATOM 491 CA ILE A 33 23.505 -17.520 17.290 1.00 0.51 C ATOM 492 C ILE A 33 24.562 -18.340 16.554 1.00 0.44 C ATOM 493 O ILE A 33 24.982 -19.397 17.031 1.00 0.47 O ATOM 494 CB ILE A 33 24.141 -16.870 18.541 1.00 0.66 C ATOM 495 CG1 ILE A 33 23.146 -15.953 19.252 1.00 0.74 C ATOM 496 CG2 ILE A 33 25.397 -16.095 18.174 1.00 0.76 C ATOM 497 CD1 ILE A 33 22.752 -14.724 18.454 1.00 0.81 C ATOM 0 H ILE A 33 22.601 -19.212 18.136 1.00 0.47 H new ATOM 0 HA ILE A 33 23.140 -16.735 16.628 1.00 0.51 H new ATOM 0 HB ILE A 33 24.417 -17.674 19.223 1.00 0.66 H new ATOM 0 HG12 ILE A 33 22.247 -16.523 19.487 1.00 0.74 H new ATOM 0 HG13 ILE A 33 23.578 -15.633 20.201 1.00 0.74 H new ATOM 0 HG21 ILE A 33 25.824 -15.648 19.072 1.00 0.76 H new ATOM 0 HG22 ILE A 33 26.124 -16.772 17.724 1.00 0.76 H new ATOM 0 HG23 ILE A 33 25.145 -15.309 17.462 1.00 0.76 H new ATOM 0 HD11 ILE A 33 22.044 -14.128 19.030 1.00 0.81 H new ATOM 0 HD12 ILE A 33 23.640 -14.128 18.241 1.00 0.81 H new ATOM 0 HD13 ILE A 33 22.289 -15.032 17.517 1.00 0.81 H new ATOM 509 N PRO A 34 25.007 -17.860 15.381 1.00 0.46 N ATOM 510 CA PRO A 34 26.067 -18.501 14.615 1.00 0.44 C ATOM 511 C PRO A 34 27.441 -18.121 15.149 1.00 0.52 C ATOM 512 O PRO A 34 27.845 -16.961 15.089 1.00 0.75 O ATOM 513 CB PRO A 34 25.887 -17.957 13.194 1.00 0.51 C ATOM 514 CG PRO A 34 24.769 -16.965 13.256 1.00 0.54 C ATOM 515 CD PRO A 34 24.525 -16.656 14.707 1.00 0.62 C ATOM 0 HA PRO A 34 26.007 -19.588 14.668 1.00 0.44 H new ATOM 0 HB2 PRO A 34 26.804 -17.486 12.840 1.00 0.51 H new ATOM 0 HB3 PRO A 34 25.653 -18.762 12.497 1.00 0.51 H new ATOM 0 HG2 PRO A 34 25.029 -16.059 12.709 1.00 0.54 H new ATOM 0 HG3 PRO A 34 23.869 -17.370 12.793 1.00 0.54 H new ATOM 0 HD2 PRO A 34 25.069 -15.768 15.028 1.00 0.62 H new ATOM 0 HD3 PRO A 34 23.470 -16.474 14.910 1.00 0.62 H new ATOM 523 N LYS A 35 28.153 -19.100 15.676 1.00 0.49 N ATOM 524 CA LYS A 35 29.454 -18.851 16.272 1.00 0.60 C ATOM 525 C LYS A 35 30.537 -19.650 15.571 1.00 0.56 C ATOM 526 O LYS A 35 30.292 -20.762 15.094 1.00 0.58 O ATOM 527 CB LYS A 35 29.431 -19.196 17.762 1.00 0.83 C ATOM 528 CG LYS A 35 28.600 -18.238 18.595 1.00 1.17 C ATOM 529 CD LYS A 35 29.362 -16.957 18.895 1.00 1.46 C ATOM 530 CE LYS A 35 28.521 -15.988 19.714 1.00 1.98 C ATOM 531 NZ LYS A 35 28.048 -16.594 20.987 1.00 2.66 N ATOM 0 H LYS A 35 27.853 -20.075 15.704 1.00 0.49 H new ATOM 0 HA LYS A 35 29.680 -17.791 16.155 1.00 0.60 H new ATOM 0 HB2 LYS A 35 29.040 -20.206 17.887 1.00 0.83 H new ATOM 0 HB3 LYS A 35 30.453 -19.201 18.141 1.00 0.83 H new ATOM 0 HG2 LYS A 35 27.678 -17.999 18.065 1.00 1.17 H new ATOM 0 HG3 LYS A 35 28.314 -18.720 19.530 1.00 1.17 H new ATOM 0 HD2 LYS A 35 30.277 -17.195 19.437 1.00 1.46 H new ATOM 0 HD3 LYS A 35 29.660 -16.482 17.960 1.00 1.46 H new ATOM 0 HE2 LYS A 35 29.108 -15.096 19.934 1.00 1.98 H new ATOM 0 HE3 LYS A 35 27.662 -15.667 19.125 1.00 1.98 H new ATOM 0 HZ1 LYS A 35 27.673 -15.849 21.608 1.00 2.66 H new ATOM 0 HZ2 LYS A 35 27.298 -17.286 20.785 1.00 2.66 H new ATOM 0 HZ3 LYS A 35 28.841 -17.072 21.460 1.00 2.66 H new ATOM 545 N LYS A 36 31.726 -19.068 15.500 1.00 0.67 N ATOM 546 CA LYS A 36 32.879 -19.731 14.918 1.00 0.82 C ATOM 547 C LYS A 36 33.137 -21.048 15.642 1.00 0.84 C ATOM 548 O LYS A 36 33.277 -21.076 16.863 1.00 0.91 O ATOM 549 CB LYS A 36 34.104 -18.804 15.005 1.00 1.09 C ATOM 550 CG LYS A 36 35.348 -19.331 14.301 1.00 1.26 C ATOM 551 CD LYS A 36 36.120 -20.333 15.149 1.00 1.36 C ATOM 552 CE LYS A 36 36.778 -19.676 16.351 1.00 2.14 C ATOM 553 NZ LYS A 36 37.841 -18.720 15.945 1.00 2.51 N ATOM 0 H LYS A 36 31.916 -18.126 15.843 1.00 0.67 H new ATOM 0 HA LYS A 36 32.686 -19.951 13.868 1.00 0.82 H new ATOM 0 HB2 LYS A 36 33.842 -17.836 14.577 1.00 1.09 H new ATOM 0 HB3 LYS A 36 34.341 -18.634 16.055 1.00 1.09 H new ATOM 0 HG2 LYS A 36 35.057 -19.803 13.362 1.00 1.26 H new ATOM 0 HG3 LYS A 36 36.000 -18.495 14.049 1.00 1.26 H new ATOM 0 HD2 LYS A 36 35.443 -21.117 15.490 1.00 1.36 H new ATOM 0 HD3 LYS A 36 36.883 -20.814 14.537 1.00 1.36 H new ATOM 0 HE2 LYS A 36 36.023 -19.152 16.937 1.00 2.14 H new ATOM 0 HE3 LYS A 36 37.206 -20.444 16.995 1.00 2.14 H new ATOM 0 HZ1 LYS A 36 38.431 -18.487 16.769 1.00 2.51 H new ATOM 0 HZ2 LYS A 36 38.433 -19.152 15.207 1.00 2.51 H new ATOM 0 HZ3 LYS A 36 37.404 -17.852 15.575 1.00 2.51 H new ATOM 567 N GLY A 37 33.179 -22.133 14.888 1.00 0.92 N ATOM 568 CA GLY A 37 33.415 -23.434 15.476 1.00 1.04 C ATOM 569 C GLY A 37 32.159 -24.269 15.541 1.00 0.96 C ATOM 570 O GLY A 37 32.224 -25.491 15.650 1.00 1.12 O ATOM 0 H GLY A 37 33.054 -22.137 13.876 1.00 0.92 H new ATOM 0 HA2 GLY A 37 34.170 -23.962 14.894 1.00 1.04 H new ATOM 0 HA3 GLY A 37 33.818 -23.309 16.481 1.00 1.04 H new ATOM 574 N ASN A 38 31.009 -23.613 15.476 1.00 0.79 N ATOM 575 CA ASN A 38 29.739 -24.325 15.478 1.00 0.75 C ATOM 576 C ASN A 38 29.450 -24.880 14.097 1.00 0.72 C ATOM 577 O ASN A 38 29.759 -24.249 13.081 1.00 0.79 O ATOM 578 CB ASN A 38 28.587 -23.429 15.939 1.00 0.75 C ATOM 579 CG ASN A 38 28.549 -23.260 17.446 1.00 0.87 C ATOM 580 OD1 ASN A 38 29.040 -24.106 18.193 1.00 1.38 O ATOM 581 ND2 ASN A 38 27.944 -22.178 17.906 1.00 0.98 N ATOM 0 H ASN A 38 30.929 -22.598 15.422 1.00 0.79 H new ATOM 0 HA ASN A 38 29.822 -25.148 16.188 1.00 0.75 H new ATOM 0 HB2 ASN A 38 28.682 -22.450 15.469 1.00 0.75 H new ATOM 0 HB3 ASN A 38 27.642 -23.855 15.601 1.00 0.75 H new ATOM 0 HD21 ASN A 38 27.872 -22.022 18.911 1.00 0.98 H new ATOM 0 HD22 ASN A 38 27.549 -21.499 17.255 1.00 0.98 H new ATOM 588 N GLU A 39 28.872 -26.068 14.064 1.00 0.71 N ATOM 589 CA GLU A 39 28.571 -26.737 12.815 1.00 0.73 C ATOM 590 C GLU A 39 27.338 -26.105 12.174 1.00 0.63 C ATOM 591 O GLU A 39 26.207 -26.342 12.603 1.00 0.69 O ATOM 592 CB GLU A 39 28.352 -28.232 13.065 1.00 0.86 C ATOM 593 CG GLU A 39 28.377 -29.083 11.807 1.00 1.37 C ATOM 594 CD GLU A 39 29.729 -29.060 11.127 1.00 1.73 C ATOM 595 OE1 GLU A 39 30.735 -28.802 11.813 1.00 2.17 O ATOM 596 OE2 GLU A 39 29.795 -29.335 9.907 1.00 2.20 O ATOM 0 H GLU A 39 28.601 -26.591 14.897 1.00 0.71 H new ATOM 0 HA GLU A 39 29.411 -26.624 12.130 1.00 0.73 H new ATOM 0 HB2 GLU A 39 29.121 -28.591 13.749 1.00 0.86 H new ATOM 0 HB3 GLU A 39 27.393 -28.369 13.564 1.00 0.86 H new ATOM 0 HG2 GLU A 39 28.117 -30.111 12.061 1.00 1.37 H new ATOM 0 HG3 GLU A 39 27.617 -28.724 11.113 1.00 1.37 H new ATOM 603 N VAL A 40 27.566 -25.273 11.167 1.00 0.60 N ATOM 604 CA VAL A 40 26.486 -24.569 10.495 1.00 0.54 C ATOM 605 C VAL A 40 26.331 -25.056 9.060 1.00 0.54 C ATOM 606 O VAL A 40 27.268 -25.598 8.475 1.00 0.67 O ATOM 607 CB VAL A 40 26.718 -23.036 10.491 1.00 0.57 C ATOM 608 CG1 VAL A 40 26.843 -22.498 11.912 1.00 0.61 C ATOM 609 CG2 VAL A 40 27.948 -22.675 9.669 1.00 0.67 C ATOM 0 H VAL A 40 28.495 -25.069 10.797 1.00 0.60 H new ATOM 0 HA VAL A 40 25.573 -24.782 11.052 1.00 0.54 H new ATOM 0 HB VAL A 40 25.849 -22.568 10.028 1.00 0.57 H new ATOM 0 HG11 VAL A 40 27.005 -21.421 11.880 1.00 0.61 H new ATOM 0 HG12 VAL A 40 25.927 -22.711 12.464 1.00 0.61 H new ATOM 0 HG13 VAL A 40 27.686 -22.977 12.410 1.00 0.61 H new ATOM 0 HG21 VAL A 40 28.090 -21.594 9.681 1.00 0.67 H new ATOM 0 HG22 VAL A 40 28.826 -23.161 10.095 1.00 0.67 H new ATOM 0 HG23 VAL A 40 27.810 -23.011 8.641 1.00 0.67 H new ATOM 619 N THR A 41 25.138 -24.883 8.516 1.00 0.46 N ATOM 620 CA THR A 41 24.869 -25.193 7.124 1.00 0.48 C ATOM 621 C THR A 41 24.117 -24.035 6.475 1.00 0.42 C ATOM 622 O THR A 41 22.965 -23.767 6.819 1.00 0.44 O ATOM 623 CB THR A 41 24.032 -26.478 7.002 1.00 0.56 C ATOM 624 OG1 THR A 41 24.649 -27.532 7.749 1.00 0.65 O ATOM 625 CG2 THR A 41 23.889 -26.901 5.548 1.00 0.63 C ATOM 0 H THR A 41 24.331 -24.524 9.027 1.00 0.46 H new ATOM 0 HA THR A 41 25.821 -25.347 6.616 1.00 0.48 H new ATOM 0 HB THR A 41 23.038 -26.276 7.402 1.00 0.56 H new ATOM 0 HG1 THR A 41 24.111 -28.348 7.669 1.00 0.65 H new ATOM 0 HG21 THR A 41 23.293 -27.812 5.491 1.00 0.63 H new ATOM 0 HG22 THR A 41 23.395 -26.109 4.985 1.00 0.63 H new ATOM 0 HG23 THR A 41 24.876 -27.086 5.124 1.00 0.63 H new ATOM 633 N VAL A 42 24.781 -23.331 5.566 1.00 0.40 N ATOM 634 CA VAL A 42 24.159 -22.204 4.883 1.00 0.42 C ATOM 635 C VAL A 42 24.229 -22.364 3.367 1.00 0.43 C ATOM 636 O VAL A 42 25.133 -23.012 2.842 1.00 0.49 O ATOM 637 CB VAL A 42 24.816 -20.863 5.286 1.00 0.46 C ATOM 638 CG1 VAL A 42 24.598 -20.577 6.765 1.00 0.80 C ATOM 639 CG2 VAL A 42 26.299 -20.868 4.946 1.00 0.87 C ATOM 0 H VAL A 42 25.744 -23.519 5.286 1.00 0.40 H new ATOM 0 HA VAL A 42 23.113 -22.191 5.191 1.00 0.42 H new ATOM 0 HB VAL A 42 24.340 -20.065 4.716 1.00 0.46 H new ATOM 0 HG11 VAL A 42 25.069 -19.629 7.026 1.00 0.80 H new ATOM 0 HG12 VAL A 42 23.529 -20.520 6.971 1.00 0.80 H new ATOM 0 HG13 VAL A 42 25.040 -21.377 7.359 1.00 0.80 H new ATOM 0 HG21 VAL A 42 26.742 -19.916 5.237 1.00 0.87 H new ATOM 0 HG22 VAL A 42 26.793 -21.678 5.483 1.00 0.87 H new ATOM 0 HG23 VAL A 42 26.426 -21.014 3.873 1.00 0.87 H new ATOM 649 N HIS A 43 23.252 -21.792 2.680 1.00 0.44 N ATOM 650 CA HIS A 43 23.256 -21.753 1.221 1.00 0.49 C ATOM 651 C HIS A 43 23.707 -20.381 0.746 1.00 0.47 C ATOM 652 O HIS A 43 23.475 -19.384 1.428 1.00 0.53 O ATOM 653 CB HIS A 43 21.863 -22.035 0.644 1.00 0.64 C ATOM 654 CG HIS A 43 21.418 -23.463 0.729 1.00 1.16 C ATOM 655 ND1 HIS A 43 20.355 -23.866 1.499 1.00 2.00 N ATOM 656 CD2 HIS A 43 21.870 -24.578 0.106 1.00 2.04 C ATOM 657 CE1 HIS A 43 20.166 -25.159 1.347 1.00 2.74 C ATOM 658 NE2 HIS A 43 21.070 -25.623 0.503 1.00 2.75 N ATOM 0 H HIS A 43 22.442 -21.346 3.110 1.00 0.44 H new ATOM 0 HA HIS A 43 23.942 -22.526 0.874 1.00 0.49 H new ATOM 0 HB2 HIS A 43 21.137 -21.413 1.167 1.00 0.64 H new ATOM 0 HB3 HIS A 43 21.851 -21.728 -0.402 1.00 0.64 H new ATOM 0 HD1 HIS A 43 19.797 -23.256 2.097 1.00 2.00 H new ATOM 0 HD2 HIS A 43 22.705 -24.635 -0.577 1.00 2.04 H new ATOM 0 HE1 HIS A 43 19.399 -25.744 1.832 1.00 2.74 H new ATOM 667 N TYR A 44 24.353 -20.330 -0.410 1.00 0.44 N ATOM 668 CA TYR A 44 24.713 -19.056 -1.014 1.00 0.42 C ATOM 669 C TYR A 44 24.346 -19.052 -2.498 1.00 0.41 C ATOM 670 O TYR A 44 24.549 -20.043 -3.198 1.00 0.47 O ATOM 671 CB TYR A 44 26.212 -18.756 -0.828 1.00 0.46 C ATOM 672 CG TYR A 44 27.141 -19.640 -1.641 1.00 0.50 C ATOM 673 CD1 TYR A 44 27.540 -20.882 -1.169 1.00 0.52 C ATOM 674 CD2 TYR A 44 27.622 -19.225 -2.882 1.00 0.60 C ATOM 675 CE1 TYR A 44 28.387 -21.690 -1.903 1.00 0.60 C ATOM 676 CE2 TYR A 44 28.468 -20.029 -3.622 1.00 0.68 C ATOM 677 CZ TYR A 44 28.849 -21.259 -3.129 1.00 0.66 C ATOM 678 OH TYR A 44 29.688 -22.064 -3.863 1.00 0.76 O ATOM 0 H TYR A 44 24.637 -21.150 -0.945 1.00 0.44 H new ATOM 0 HA TYR A 44 24.150 -18.270 -0.510 1.00 0.42 H new ATOM 0 HB2 TYR A 44 26.396 -17.715 -1.095 1.00 0.46 H new ATOM 0 HB3 TYR A 44 26.462 -18.863 0.228 1.00 0.46 H new ATOM 0 HD1 TYR A 44 27.182 -21.224 -0.209 1.00 0.52 H new ATOM 0 HD2 TYR A 44 27.329 -18.261 -3.271 1.00 0.60 H new ATOM 0 HE1 TYR A 44 28.686 -22.654 -1.519 1.00 0.60 H new ATOM 0 HE2 TYR A 44 28.830 -19.695 -4.583 1.00 0.68 H new ATOM 0 HH TYR A 44 30.044 -22.774 -3.289 1.00 0.76 H new ATOM 688 N VAL A 45 23.776 -17.947 -2.960 1.00 0.35 N ATOM 689 CA VAL A 45 23.418 -17.789 -4.365 1.00 0.36 C ATOM 690 C VAL A 45 23.140 -16.316 -4.660 1.00 0.30 C ATOM 691 O VAL A 45 22.666 -15.588 -3.788 1.00 0.30 O ATOM 692 CB VAL A 45 22.184 -18.655 -4.733 1.00 0.44 C ATOM 693 CG1 VAL A 45 20.947 -18.211 -3.954 1.00 0.47 C ATOM 694 CG2 VAL A 45 21.933 -18.645 -6.239 1.00 0.49 C ATOM 0 H VAL A 45 23.550 -17.141 -2.378 1.00 0.35 H new ATOM 0 HA VAL A 45 24.255 -18.130 -4.975 1.00 0.36 H new ATOM 0 HB VAL A 45 22.399 -19.684 -4.445 1.00 0.44 H new ATOM 0 HG11 VAL A 45 20.098 -18.836 -4.232 1.00 0.47 H new ATOM 0 HG12 VAL A 45 21.135 -18.310 -2.885 1.00 0.47 H new ATOM 0 HG13 VAL A 45 20.724 -17.170 -4.188 1.00 0.47 H new ATOM 0 HG21 VAL A 45 21.062 -19.260 -6.467 1.00 0.49 H new ATOM 0 HG22 VAL A 45 21.752 -17.623 -6.571 1.00 0.49 H new ATOM 0 HG23 VAL A 45 22.805 -19.045 -6.756 1.00 0.49 H new ATOM 704 N GLY A 46 23.465 -15.867 -5.861 1.00 0.31 N ATOM 705 CA GLY A 46 23.241 -14.479 -6.208 1.00 0.30 C ATOM 706 C GLY A 46 23.589 -14.179 -7.648 1.00 0.30 C ATOM 707 O GLY A 46 23.114 -14.856 -8.561 1.00 0.36 O ATOM 0 H GLY A 46 23.878 -16.436 -6.600 1.00 0.31 H new ATOM 0 HA2 GLY A 46 22.195 -14.228 -6.030 1.00 0.30 H new ATOM 0 HA3 GLY A 46 23.837 -13.843 -5.553 1.00 0.30 H new ATOM 711 N LYS A 47 24.413 -13.158 -7.850 1.00 0.27 N ATOM 712 CA LYS A 47 24.818 -12.751 -9.190 1.00 0.29 C ATOM 713 C LYS A 47 26.127 -11.969 -9.147 1.00 0.25 C ATOM 714 O LYS A 47 26.634 -11.645 -8.070 1.00 0.26 O ATOM 715 CB LYS A 47 23.716 -11.920 -9.860 1.00 0.36 C ATOM 716 CG LYS A 47 23.458 -10.573 -9.210 1.00 0.42 C ATOM 717 CD LYS A 47 22.344 -9.817 -9.921 1.00 0.66 C ATOM 718 CE LYS A 47 22.174 -8.415 -9.357 1.00 0.83 C ATOM 719 NZ LYS A 47 20.990 -7.723 -9.934 1.00 1.43 N ATOM 0 H LYS A 47 24.815 -12.595 -7.100 1.00 0.27 H new ATOM 0 HA LYS A 47 24.978 -13.651 -9.783 1.00 0.29 H new ATOM 0 HB2 LYS A 47 23.984 -11.760 -10.904 1.00 0.36 H new ATOM 0 HB3 LYS A 47 22.790 -12.495 -9.853 1.00 0.36 H new ATOM 0 HG2 LYS A 47 23.191 -10.718 -8.163 1.00 0.42 H new ATOM 0 HG3 LYS A 47 24.371 -9.978 -9.227 1.00 0.42 H new ATOM 0 HD2 LYS A 47 22.566 -9.757 -10.987 1.00 0.66 H new ATOM 0 HD3 LYS A 47 21.408 -10.367 -9.821 1.00 0.66 H new ATOM 0 HE2 LYS A 47 22.070 -8.470 -8.273 1.00 0.83 H new ATOM 0 HE3 LYS A 47 23.071 -7.831 -9.561 1.00 0.83 H new ATOM 0 HZ1 LYS A 47 20.910 -6.771 -9.523 1.00 1.43 H new ATOM 0 HZ2 LYS A 47 21.101 -7.647 -10.965 1.00 1.43 H new ATOM 0 HZ3 LYS A 47 20.130 -8.267 -9.717 1.00 1.43 H new ATOM 733 N LEU A 48 26.679 -11.690 -10.322 1.00 0.27 N ATOM 734 CA LEU A 48 27.930 -10.951 -10.433 1.00 0.26 C ATOM 735 C LEU A 48 27.671 -9.447 -10.452 1.00 0.25 C ATOM 736 O LEU A 48 27.155 -8.909 -11.434 1.00 0.27 O ATOM 737 CB LEU A 48 28.689 -11.378 -11.696 1.00 0.29 C ATOM 738 CG LEU A 48 30.040 -10.686 -11.931 1.00 0.32 C ATOM 739 CD1 LEU A 48 30.996 -10.958 -10.782 1.00 0.36 C ATOM 740 CD2 LEU A 48 30.648 -11.147 -13.248 1.00 0.38 C ATOM 0 H LEU A 48 26.276 -11.967 -11.217 1.00 0.27 H new ATOM 0 HA LEU A 48 28.542 -11.181 -9.561 1.00 0.26 H new ATOM 0 HB2 LEU A 48 28.857 -12.454 -11.650 1.00 0.29 H new ATOM 0 HB3 LEU A 48 28.052 -11.192 -12.560 1.00 0.29 H new ATOM 0 HG LEU A 48 29.868 -9.611 -11.982 1.00 0.32 H new ATOM 0 HD11 LEU A 48 31.945 -10.457 -10.972 1.00 0.36 H new ATOM 0 HD12 LEU A 48 30.566 -10.581 -9.854 1.00 0.36 H new ATOM 0 HD13 LEU A 48 31.163 -12.032 -10.694 1.00 0.36 H new ATOM 0 HD21 LEU A 48 31.605 -10.648 -13.401 1.00 0.38 H new ATOM 0 HD22 LEU A 48 30.801 -12.226 -13.220 1.00 0.38 H new ATOM 0 HD23 LEU A 48 29.974 -10.897 -14.067 1.00 0.38 H new ATOM 752 N GLU A 49 28.037 -8.784 -9.360 1.00 0.29 N ATOM 753 CA GLU A 49 27.853 -7.336 -9.201 1.00 0.36 C ATOM 754 C GLU A 49 28.635 -6.578 -10.260 1.00 0.34 C ATOM 755 O GLU A 49 28.191 -5.553 -10.777 1.00 0.41 O ATOM 756 CB GLU A 49 28.340 -6.910 -7.809 1.00 0.50 C ATOM 757 CG GLU A 49 28.112 -5.440 -7.486 1.00 0.63 C ATOM 758 CD GLU A 49 26.819 -5.200 -6.733 1.00 1.20 C ATOM 759 OE1 GLU A 49 25.767 -5.026 -7.382 1.00 1.75 O ATOM 760 OE2 GLU A 49 26.859 -5.187 -5.482 1.00 1.96 O ATOM 0 H GLU A 49 28.472 -9.233 -8.554 1.00 0.29 H new ATOM 0 HA GLU A 49 26.794 -7.104 -9.313 1.00 0.36 H new ATOM 0 HB2 GLU A 49 27.834 -7.517 -7.059 1.00 0.50 H new ATOM 0 HB3 GLU A 49 29.405 -7.126 -7.728 1.00 0.50 H new ATOM 0 HG2 GLU A 49 28.947 -5.069 -6.892 1.00 0.63 H new ATOM 0 HG3 GLU A 49 28.100 -4.866 -8.413 1.00 0.63 H new ATOM 767 N SER A 50 29.790 -7.126 -10.593 1.00 0.33 N ATOM 768 CA SER A 50 30.742 -6.481 -11.485 1.00 0.40 C ATOM 769 C SER A 50 30.129 -6.112 -12.842 1.00 0.45 C ATOM 770 O SER A 50 30.577 -5.167 -13.486 1.00 0.55 O ATOM 771 CB SER A 50 31.954 -7.393 -11.694 1.00 0.46 C ATOM 772 OG SER A 50 33.024 -6.702 -12.313 1.00 0.67 O ATOM 0 H SER A 50 30.097 -8.036 -10.251 1.00 0.33 H new ATOM 0 HA SER A 50 31.048 -5.549 -11.009 1.00 0.40 H new ATOM 0 HB2 SER A 50 32.283 -7.789 -10.733 1.00 0.46 H new ATOM 0 HB3 SER A 50 31.667 -8.246 -12.309 1.00 0.46 H new ATOM 0 HG SER A 50 33.782 -7.311 -12.431 1.00 0.67 H new ATOM 778 N THR A 51 29.114 -6.851 -13.281 1.00 0.44 N ATOM 779 CA THR A 51 28.531 -6.590 -14.588 1.00 0.53 C ATOM 780 C THR A 51 26.999 -6.727 -14.583 1.00 0.54 C ATOM 781 O THR A 51 26.319 -6.127 -15.418 1.00 0.73 O ATOM 782 CB THR A 51 29.155 -7.512 -15.663 1.00 0.59 C ATOM 783 OG1 THR A 51 28.707 -7.139 -16.970 1.00 0.72 O ATOM 784 CG2 THR A 51 28.818 -8.968 -15.402 1.00 0.53 C ATOM 0 H THR A 51 28.687 -7.619 -12.762 1.00 0.44 H new ATOM 0 HA THR A 51 28.761 -5.554 -14.836 1.00 0.53 H new ATOM 0 HB THR A 51 30.237 -7.393 -15.609 1.00 0.59 H new ATOM 0 HG1 THR A 51 29.113 -7.732 -17.637 1.00 0.72 H new ATOM 0 HG21 THR A 51 29.271 -9.590 -16.174 1.00 0.53 H new ATOM 0 HG22 THR A 51 29.205 -9.262 -14.426 1.00 0.53 H new ATOM 0 HG23 THR A 51 27.736 -9.100 -15.418 1.00 0.53 H new ATOM 792 N GLY A 52 26.456 -7.497 -13.641 1.00 0.48 N ATOM 793 CA GLY A 52 25.013 -7.660 -13.562 1.00 0.51 C ATOM 794 C GLY A 52 24.526 -8.957 -14.189 1.00 0.54 C ATOM 795 O GLY A 52 23.442 -9.000 -14.766 1.00 0.78 O ATOM 0 H GLY A 52 26.986 -8.008 -12.935 1.00 0.48 H new ATOM 0 HA2 GLY A 52 24.706 -7.631 -12.516 1.00 0.51 H new ATOM 0 HA3 GLY A 52 24.530 -6.819 -14.059 1.00 0.51 H new ATOM 799 N LYS A 53 25.320 -10.014 -14.071 1.00 0.44 N ATOM 800 CA LYS A 53 24.937 -11.322 -14.602 1.00 0.49 C ATOM 801 C LYS A 53 24.472 -12.228 -13.475 1.00 0.41 C ATOM 802 O LYS A 53 25.197 -12.425 -12.501 1.00 0.38 O ATOM 803 CB LYS A 53 26.107 -11.980 -15.340 1.00 0.60 C ATOM 804 CG LYS A 53 26.491 -11.286 -16.636 1.00 0.84 C ATOM 805 CD LYS A 53 25.401 -11.407 -17.683 1.00 1.47 C ATOM 806 CE LYS A 53 25.804 -10.734 -18.983 1.00 2.09 C ATOM 807 NZ LYS A 53 24.721 -10.786 -19.998 1.00 2.89 N ATOM 0 H LYS A 53 26.232 -9.994 -13.614 1.00 0.44 H new ATOM 0 HA LYS A 53 24.121 -11.173 -15.309 1.00 0.49 H new ATOM 0 HB2 LYS A 53 26.974 -12.000 -14.680 1.00 0.60 H new ATOM 0 HB3 LYS A 53 25.849 -13.016 -15.558 1.00 0.60 H new ATOM 0 HG2 LYS A 53 26.691 -10.233 -16.439 1.00 0.84 H new ATOM 0 HG3 LYS A 53 27.414 -11.719 -17.021 1.00 0.84 H new ATOM 0 HD2 LYS A 53 25.187 -12.460 -17.868 1.00 1.47 H new ATOM 0 HD3 LYS A 53 24.482 -10.956 -17.308 1.00 1.47 H new ATOM 0 HE2 LYS A 53 26.066 -9.694 -18.786 1.00 2.09 H new ATOM 0 HE3 LYS A 53 26.696 -11.218 -19.380 1.00 2.09 H new ATOM 0 HZ1 LYS A 53 25.039 -10.315 -20.869 1.00 2.89 H new ATOM 0 HZ2 LYS A 53 24.487 -11.778 -20.206 1.00 2.89 H new ATOM 0 HZ3 LYS A 53 23.877 -10.301 -19.631 1.00 2.89 H new ATOM 821 N VAL A 54 23.270 -12.774 -13.609 1.00 0.44 N ATOM 822 CA VAL A 54 22.707 -13.657 -12.589 1.00 0.44 C ATOM 823 C VAL A 54 23.244 -15.078 -12.769 1.00 0.46 C ATOM 824 O VAL A 54 23.710 -15.437 -13.854 1.00 0.51 O ATOM 825 CB VAL A 54 21.159 -13.659 -12.647 1.00 0.52 C ATOM 826 CG1 VAL A 54 20.662 -14.342 -13.909 1.00 0.59 C ATOM 827 CG2 VAL A 54 20.559 -14.307 -11.412 1.00 0.57 C ATOM 0 H VAL A 54 22.663 -12.622 -14.415 1.00 0.44 H new ATOM 0 HA VAL A 54 23.009 -13.283 -11.611 1.00 0.44 H new ATOM 0 HB VAL A 54 20.830 -12.620 -12.671 1.00 0.52 H new ATOM 0 HG11 VAL A 54 19.572 -14.329 -13.924 1.00 0.59 H new ATOM 0 HG12 VAL A 54 21.043 -13.814 -14.783 1.00 0.59 H new ATOM 0 HG13 VAL A 54 21.013 -15.374 -13.927 1.00 0.59 H new ATOM 0 HG21 VAL A 54 19.472 -14.292 -11.485 1.00 0.57 H new ATOM 0 HG22 VAL A 54 20.903 -15.339 -11.339 1.00 0.57 H new ATOM 0 HG23 VAL A 54 20.871 -13.756 -10.524 1.00 0.57 H new ATOM 837 N PHE A 55 23.191 -15.877 -11.709 1.00 0.48 N ATOM 838 CA PHE A 55 23.720 -17.236 -11.752 1.00 0.54 C ATOM 839 C PHE A 55 22.772 -18.206 -12.446 1.00 0.61 C ATOM 840 O PHE A 55 21.582 -18.282 -12.117 1.00 0.78 O ATOM 841 CB PHE A 55 24.014 -17.753 -10.338 1.00 0.59 C ATOM 842 CG PHE A 55 25.171 -17.084 -9.653 1.00 0.47 C ATOM 843 CD1 PHE A 55 25.980 -16.181 -10.325 1.00 0.52 C ATOM 844 CD2 PHE A 55 25.451 -17.369 -8.328 1.00 0.58 C ATOM 845 CE1 PHE A 55 27.043 -15.575 -9.685 1.00 0.46 C ATOM 846 CE2 PHE A 55 26.512 -16.768 -7.685 1.00 0.70 C ATOM 847 CZ PHE A 55 27.309 -15.868 -8.363 1.00 0.56 C ATOM 0 H PHE A 55 22.788 -15.608 -10.811 1.00 0.48 H new ATOM 0 HA PHE A 55 24.643 -17.187 -12.329 1.00 0.54 H new ATOM 0 HB2 PHE A 55 23.122 -17.623 -9.725 1.00 0.59 H new ATOM 0 HB3 PHE A 55 24.211 -18.824 -10.391 1.00 0.59 H new ATOM 0 HD1 PHE A 55 25.777 -15.949 -11.360 1.00 0.52 H new ATOM 0 HD2 PHE A 55 24.830 -18.071 -7.791 1.00 0.58 H new ATOM 0 HE1 PHE A 55 27.666 -14.872 -10.219 1.00 0.46 H new ATOM 0 HE2 PHE A 55 26.719 -17.001 -6.651 1.00 0.70 H new ATOM 0 HZ PHE A 55 28.139 -15.394 -7.860 1.00 0.56 H new ATOM 857 N ASP A 56 23.314 -18.915 -13.427 1.00 0.61 N ATOM 858 CA ASP A 56 22.662 -20.072 -14.029 1.00 0.71 C ATOM 859 C ASP A 56 23.714 -20.897 -14.755 1.00 0.70 C ATOM 860 O ASP A 56 23.964 -20.710 -15.950 1.00 0.87 O ATOM 861 CB ASP A 56 21.533 -19.678 -14.996 1.00 0.91 C ATOM 862 CG ASP A 56 20.802 -20.890 -15.573 1.00 1.59 C ATOM 863 OD1 ASP A 56 21.134 -22.031 -15.186 1.00 2.14 O ATOM 864 OD2 ASP A 56 19.898 -20.717 -16.417 1.00 2.18 O ATOM 0 H ASP A 56 24.226 -18.702 -13.831 1.00 0.61 H new ATOM 0 HA ASP A 56 22.198 -20.654 -13.233 1.00 0.71 H new ATOM 0 HB2 ASP A 56 20.818 -19.042 -14.474 1.00 0.91 H new ATOM 0 HB3 ASP A 56 21.949 -19.087 -15.812 1.00 0.91 H new ATOM 869 N SER A 57 24.367 -21.775 -14.014 1.00 0.61 N ATOM 870 CA SER A 57 25.411 -22.619 -14.567 1.00 0.67 C ATOM 871 C SER A 57 25.066 -24.088 -14.345 1.00 0.68 C ATOM 872 O SER A 57 24.290 -24.414 -13.450 1.00 0.75 O ATOM 873 CB SER A 57 26.765 -22.266 -13.938 1.00 0.75 C ATOM 874 OG SER A 57 27.832 -22.970 -14.556 1.00 1.24 O ATOM 0 H SER A 57 24.191 -21.922 -13.020 1.00 0.61 H new ATOM 0 HA SER A 57 25.483 -22.445 -15.641 1.00 0.67 H new ATOM 0 HB2 SER A 57 26.938 -21.193 -14.026 1.00 0.75 H new ATOM 0 HB3 SER A 57 26.743 -22.500 -12.874 1.00 0.75 H new ATOM 0 HG SER A 57 28.679 -22.719 -14.131 1.00 1.24 H new ATOM 880 N SER A 58 25.658 -24.958 -15.157 1.00 0.75 N ATOM 881 CA SER A 58 25.346 -26.387 -15.166 1.00 0.82 C ATOM 882 C SER A 58 25.378 -27.000 -13.766 1.00 0.70 C ATOM 883 O SER A 58 24.488 -27.765 -13.393 1.00 0.70 O ATOM 884 CB SER A 58 26.340 -27.107 -16.075 1.00 1.03 C ATOM 885 OG SER A 58 26.442 -26.443 -17.324 1.00 1.49 O ATOM 0 H SER A 58 26.374 -24.691 -15.833 1.00 0.75 H new ATOM 0 HA SER A 58 24.330 -26.507 -15.541 1.00 0.82 H new ATOM 0 HB2 SER A 58 27.318 -27.145 -15.596 1.00 1.03 H new ATOM 0 HB3 SER A 58 26.020 -28.138 -16.229 1.00 1.03 H new ATOM 0 HG SER A 58 27.084 -26.916 -17.894 1.00 1.49 H new ATOM 891 N PHE A 59 26.393 -26.651 -12.992 1.00 0.69 N ATOM 892 CA PHE A 59 26.558 -27.214 -11.658 1.00 0.70 C ATOM 893 C PHE A 59 25.791 -26.388 -10.630 1.00 0.64 C ATOM 894 O PHE A 59 25.250 -26.926 -9.660 1.00 0.67 O ATOM 895 CB PHE A 59 28.046 -27.279 -11.302 1.00 0.85 C ATOM 896 CG PHE A 59 28.884 -27.909 -12.380 1.00 1.08 C ATOM 897 CD1 PHE A 59 28.746 -29.255 -12.682 1.00 1.28 C ATOM 898 CD2 PHE A 59 29.806 -27.159 -13.091 1.00 1.39 C ATOM 899 CE1 PHE A 59 29.510 -29.841 -13.672 1.00 1.58 C ATOM 900 CE2 PHE A 59 30.575 -27.739 -14.082 1.00 1.77 C ATOM 901 CZ PHE A 59 30.427 -29.082 -14.374 1.00 1.80 C ATOM 0 H PHE A 59 27.114 -25.982 -13.262 1.00 0.69 H new ATOM 0 HA PHE A 59 26.152 -28.225 -11.648 1.00 0.70 H new ATOM 0 HB2 PHE A 59 28.412 -26.270 -11.109 1.00 0.85 H new ATOM 0 HB3 PHE A 59 28.168 -27.845 -10.378 1.00 0.85 H new ATOM 0 HD1 PHE A 59 28.032 -29.853 -12.136 1.00 1.28 H new ATOM 0 HD2 PHE A 59 29.925 -26.109 -12.868 1.00 1.39 H new ATOM 0 HE1 PHE A 59 29.391 -30.891 -13.897 1.00 1.58 H new ATOM 0 HE2 PHE A 59 31.291 -27.143 -14.628 1.00 1.77 H new ATOM 0 HZ PHE A 59 31.026 -29.537 -15.149 1.00 1.80 H new ATOM 911 N ASP A 60 25.733 -25.085 -10.876 1.00 0.66 N ATOM 912 CA ASP A 60 25.084 -24.128 -9.977 1.00 0.72 C ATOM 913 C ASP A 60 23.577 -24.378 -9.875 1.00 0.71 C ATOM 914 O ASP A 60 23.041 -24.526 -8.780 1.00 0.86 O ATOM 915 CB ASP A 60 25.381 -22.701 -10.470 1.00 0.83 C ATOM 916 CG ASP A 60 24.203 -21.751 -10.358 1.00 1.54 C ATOM 917 OD1 ASP A 60 23.970 -21.204 -9.263 1.00 2.19 O ATOM 918 OD2 ASP A 60 23.525 -21.542 -11.387 1.00 1.89 O ATOM 0 H ASP A 60 26.136 -24.656 -11.709 1.00 0.66 H new ATOM 0 HA ASP A 60 25.487 -24.256 -8.972 1.00 0.72 H new ATOM 0 HB2 ASP A 60 26.216 -22.297 -9.898 1.00 0.83 H new ATOM 0 HB3 ASP A 60 25.700 -22.747 -11.511 1.00 0.83 H new ATOM 923 N ARG A 61 22.908 -24.458 -11.023 1.00 0.68 N ATOM 924 CA ARG A 61 21.461 -24.661 -11.056 1.00 0.80 C ATOM 925 C ARG A 61 21.084 -26.045 -10.541 1.00 0.75 C ATOM 926 O ARG A 61 19.939 -26.284 -10.151 1.00 0.92 O ATOM 927 CB ARG A 61 20.915 -24.496 -12.480 1.00 0.97 C ATOM 928 CG ARG A 61 21.500 -25.493 -13.464 1.00 1.23 C ATOM 929 CD ARG A 61 20.567 -25.761 -14.627 1.00 1.65 C ATOM 930 NE ARG A 61 20.256 -24.555 -15.395 1.00 1.75 N ATOM 931 CZ ARG A 61 19.633 -24.565 -16.573 1.00 2.15 C ATOM 932 NH1 ARG A 61 19.344 -25.721 -17.162 1.00 2.58 N ATOM 933 NH2 ARG A 61 19.329 -23.419 -17.174 1.00 2.78 N ATOM 0 H ARG A 61 23.344 -24.385 -11.942 1.00 0.68 H new ATOM 0 HA ARG A 61 21.019 -23.905 -10.407 1.00 0.80 H new ATOM 0 HB2 ARG A 61 19.831 -24.607 -12.462 1.00 0.97 H new ATOM 0 HB3 ARG A 61 21.126 -23.485 -12.828 1.00 0.97 H new ATOM 0 HG2 ARG A 61 22.450 -25.114 -13.842 1.00 1.23 H new ATOM 0 HG3 ARG A 61 21.713 -26.429 -12.948 1.00 1.23 H new ATOM 0 HD2 ARG A 61 21.021 -26.500 -15.288 1.00 1.65 H new ATOM 0 HD3 ARG A 61 19.641 -26.196 -14.251 1.00 1.65 H new ATOM 0 HE ARG A 61 20.532 -23.654 -15.006 1.00 1.75 H new ATOM 0 HH11 ARG A 61 19.599 -26.600 -16.712 1.00 2.58 H new ATOM 0 HH12 ARG A 61 18.867 -25.729 -18.064 1.00 2.58 H new ATOM 0 HH21 ARG A 61 19.573 -22.532 -16.734 1.00 2.78 H new ATOM 0 HH22 ARG A 61 18.852 -23.427 -18.076 1.00 2.78 H new ATOM 947 N ASN A 62 22.046 -26.960 -10.555 1.00 0.64 N ATOM 948 CA ASN A 62 21.794 -28.329 -10.148 1.00 0.68 C ATOM 949 C ASN A 62 21.693 -28.414 -8.631 1.00 0.73 C ATOM 950 O ASN A 62 20.635 -28.739 -8.094 1.00 0.89 O ATOM 951 CB ASN A 62 22.895 -29.257 -10.662 1.00 0.71 C ATOM 952 CG ASN A 62 22.558 -30.726 -10.470 1.00 0.83 C ATOM 953 OD1 ASN A 62 23.019 -31.303 -9.374 1.00 0.93 O flip ATOM 954 ND2 ASN A 62 21.906 -31.341 -11.314 1.00 1.10 N flip ATOM 0 H ASN A 62 23.006 -26.775 -10.844 1.00 0.64 H new ATOM 0 HA ASN A 62 20.847 -28.651 -10.582 1.00 0.68 H new ATOM 0 HB2 ASN A 62 23.064 -29.062 -11.721 1.00 0.71 H new ATOM 0 HB3 ASN A 62 23.827 -29.031 -10.144 1.00 0.71 H new ATOM 0 HD21 ASN A 62 21.568 -30.860 -12.147 1.00 1.10 H new ATOM 0 HD22 ASN A 62 21.704 -32.332 -11.180 1.00 1.10 H new ATOM 961 N VAL A 63 22.794 -28.111 -7.947 1.00 0.68 N ATOM 962 CA VAL A 63 22.833 -28.140 -6.486 1.00 0.83 C ATOM 963 C VAL A 63 23.688 -27.004 -5.940 1.00 0.62 C ATOM 964 O VAL A 63 24.919 -27.042 -6.047 1.00 0.64 O ATOM 965 CB VAL A 63 23.374 -29.485 -5.930 1.00 1.16 C ATOM 966 CG1 VAL A 63 23.540 -29.420 -4.417 1.00 1.76 C ATOM 967 CG2 VAL A 63 22.451 -30.634 -6.286 1.00 2.03 C ATOM 0 H VAL A 63 23.676 -27.841 -8.384 1.00 0.68 H new ATOM 0 HA VAL A 63 21.801 -28.023 -6.155 1.00 0.83 H new ATOM 0 HB VAL A 63 24.347 -29.658 -6.389 1.00 1.16 H new ATOM 0 HG11 VAL A 63 23.920 -30.374 -4.051 1.00 1.76 H new ATOM 0 HG12 VAL A 63 24.243 -28.627 -4.162 1.00 1.76 H new ATOM 0 HG13 VAL A 63 22.575 -29.212 -3.954 1.00 1.76 H new ATOM 0 HG21 VAL A 63 22.855 -31.563 -5.884 1.00 2.03 H new ATOM 0 HG22 VAL A 63 21.464 -30.453 -5.860 1.00 2.03 H new ATOM 0 HG23 VAL A 63 22.370 -30.713 -7.370 1.00 2.03 H new ATOM 977 N PRO A 64 23.046 -25.974 -5.367 1.00 0.91 N ATOM 978 CA PRO A 64 23.753 -24.919 -4.641 1.00 1.03 C ATOM 979 C PRO A 64 24.580 -25.505 -3.504 1.00 0.81 C ATOM 980 O PRO A 64 24.124 -26.412 -2.799 1.00 0.86 O ATOM 981 CB PRO A 64 22.633 -24.038 -4.085 1.00 1.53 C ATOM 982 CG PRO A 64 21.464 -24.307 -4.967 1.00 1.76 C ATOM 983 CD PRO A 64 21.590 -25.741 -5.402 1.00 1.40 C ATOM 0 HA PRO A 64 24.449 -24.371 -5.276 1.00 1.03 H new ATOM 0 HB2 PRO A 64 22.411 -24.288 -3.047 1.00 1.53 H new ATOM 0 HB3 PRO A 64 22.911 -22.984 -4.107 1.00 1.53 H new ATOM 0 HG2 PRO A 64 20.528 -24.142 -4.434 1.00 1.76 H new ATOM 0 HG3 PRO A 64 21.463 -23.638 -5.827 1.00 1.76 H new ATOM 0 HD2 PRO A 64 21.058 -26.414 -4.730 1.00 1.40 H new ATOM 0 HD3 PRO A 64 21.181 -25.897 -6.400 1.00 1.40 H new ATOM 991 N PHE A 65 25.773 -24.977 -3.303 1.00 0.68 N ATOM 992 CA PHE A 65 26.712 -25.570 -2.365 1.00 0.53 C ATOM 993 C PHE A 65 26.579 -24.921 -0.990 1.00 0.47 C ATOM 994 O PHE A 65 26.175 -23.763 -0.873 1.00 0.54 O ATOM 995 CB PHE A 65 28.142 -25.424 -2.901 1.00 0.62 C ATOM 996 CG PHE A 65 29.175 -26.219 -2.143 1.00 0.72 C ATOM 997 CD1 PHE A 65 29.119 -27.607 -2.113 1.00 1.06 C ATOM 998 CD2 PHE A 65 30.199 -25.580 -1.462 1.00 0.71 C ATOM 999 CE1 PHE A 65 30.066 -28.338 -1.420 1.00 1.31 C ATOM 1000 CE2 PHE A 65 31.149 -26.309 -0.768 1.00 0.95 C ATOM 1001 CZ PHE A 65 31.081 -27.690 -0.748 1.00 1.24 C ATOM 0 H PHE A 65 26.116 -24.140 -3.775 1.00 0.68 H new ATOM 0 HA PHE A 65 26.485 -26.631 -2.258 1.00 0.53 H new ATOM 0 HB2 PHE A 65 28.159 -25.733 -3.946 1.00 0.62 H new ATOM 0 HB3 PHE A 65 28.421 -24.371 -2.875 1.00 0.62 H new ATOM 0 HD1 PHE A 65 28.327 -28.121 -2.637 1.00 1.06 H new ATOM 0 HD2 PHE A 65 30.256 -24.502 -1.473 1.00 0.71 H new ATOM 0 HE1 PHE A 65 30.011 -29.416 -1.405 1.00 1.31 H new ATOM 0 HE2 PHE A 65 31.943 -25.800 -0.242 1.00 0.95 H new ATOM 0 HZ PHE A 65 31.822 -28.260 -0.207 1.00 1.24 H new ATOM 1011 N LYS A 66 26.886 -25.690 0.047 1.00 0.41 N ATOM 1012 CA LYS A 66 26.835 -25.190 1.413 1.00 0.39 C ATOM 1013 C LYS A 66 28.254 -24.991 1.924 1.00 0.38 C ATOM 1014 O LYS A 66 29.147 -25.774 1.598 1.00 0.48 O ATOM 1015 CB LYS A 66 26.062 -26.174 2.319 1.00 0.45 C ATOM 1016 CG LYS A 66 26.844 -27.427 2.711 1.00 0.60 C ATOM 1017 CD LYS A 66 27.564 -27.239 4.044 1.00 0.67 C ATOM 1018 CE LYS A 66 28.658 -28.277 4.268 1.00 0.93 C ATOM 1019 NZ LYS A 66 28.126 -29.664 4.348 1.00 1.36 N ATOM 0 H LYS A 66 27.174 -26.665 -0.034 1.00 0.41 H new ATOM 0 HA LYS A 66 26.310 -24.235 1.431 1.00 0.39 H new ATOM 0 HB2 LYS A 66 25.761 -25.651 3.227 1.00 0.45 H new ATOM 0 HB3 LYS A 66 25.148 -26.477 1.807 1.00 0.45 H new ATOM 0 HG2 LYS A 66 26.164 -28.276 2.780 1.00 0.60 H new ATOM 0 HG3 LYS A 66 27.570 -27.663 1.933 1.00 0.60 H new ATOM 0 HD2 LYS A 66 28.002 -26.241 4.079 1.00 0.67 H new ATOM 0 HD3 LYS A 66 26.839 -27.298 4.856 1.00 0.67 H new ATOM 0 HE2 LYS A 66 29.382 -28.216 3.456 1.00 0.93 H new ATOM 0 HE3 LYS A 66 29.192 -28.043 5.189 1.00 0.93 H new ATOM 0 HZ1 LYS A 66 28.911 -30.329 4.501 1.00 1.36 H new ATOM 0 HZ2 LYS A 66 27.455 -29.733 5.139 1.00 1.36 H new ATOM 0 HZ3 LYS A 66 27.640 -29.901 3.460 1.00 1.36 H new ATOM 1033 N PHE A 67 28.479 -23.953 2.709 1.00 0.39 N ATOM 1034 CA PHE A 67 29.794 -23.754 3.288 1.00 0.42 C ATOM 1035 C PHE A 67 29.718 -23.651 4.807 1.00 0.42 C ATOM 1036 O PHE A 67 28.684 -23.291 5.370 1.00 0.46 O ATOM 1037 CB PHE A 67 30.509 -22.538 2.674 1.00 0.46 C ATOM 1038 CG PHE A 67 29.847 -21.205 2.905 1.00 0.45 C ATOM 1039 CD1 PHE A 67 29.991 -20.546 4.113 1.00 0.43 C ATOM 1040 CD2 PHE A 67 29.106 -20.599 1.901 1.00 0.55 C ATOM 1041 CE1 PHE A 67 29.408 -19.315 4.318 1.00 0.46 C ATOM 1042 CE2 PHE A 67 28.518 -19.367 2.103 1.00 0.57 C ATOM 1043 CZ PHE A 67 28.669 -18.723 3.315 1.00 0.51 C ATOM 0 H PHE A 67 27.784 -23.248 2.956 1.00 0.39 H new ATOM 0 HA PHE A 67 30.393 -24.632 3.047 1.00 0.42 H new ATOM 0 HB2 PHE A 67 31.521 -22.494 3.075 1.00 0.46 H new ATOM 0 HB3 PHE A 67 30.599 -22.697 1.599 1.00 0.46 H new ATOM 0 HD1 PHE A 67 30.567 -21.002 4.904 1.00 0.43 H new ATOM 0 HD2 PHE A 67 28.988 -21.097 0.950 1.00 0.55 H new ATOM 0 HE1 PHE A 67 29.530 -18.812 5.266 1.00 0.46 H new ATOM 0 HE2 PHE A 67 27.941 -18.907 1.314 1.00 0.57 H new ATOM 0 HZ PHE A 67 28.210 -17.759 3.477 1.00 0.51 H new ATOM 1053 N HIS A 68 30.816 -24.005 5.449 1.00 0.42 N ATOM 1054 CA HIS A 68 30.921 -23.970 6.896 1.00 0.44 C ATOM 1055 C HIS A 68 31.538 -22.647 7.337 1.00 0.42 C ATOM 1056 O HIS A 68 32.394 -22.101 6.643 1.00 0.44 O ATOM 1057 CB HIS A 68 31.805 -25.135 7.359 1.00 0.53 C ATOM 1058 CG HIS A 68 31.692 -25.474 8.814 1.00 0.89 C ATOM 1059 ND1 HIS A 68 32.450 -24.885 9.800 1.00 1.68 N ATOM 1060 CD2 HIS A 68 30.928 -26.396 9.438 1.00 1.56 C ATOM 1061 CE1 HIS A 68 32.159 -25.436 10.965 1.00 1.98 C ATOM 1062 NE2 HIS A 68 31.235 -26.357 10.774 1.00 1.87 N ATOM 0 H HIS A 68 31.663 -24.326 4.980 1.00 0.42 H new ATOM 0 HA HIS A 68 29.929 -24.062 7.339 1.00 0.44 H new ATOM 0 HB2 HIS A 68 31.551 -26.019 6.774 1.00 0.53 H new ATOM 0 HB3 HIS A 68 32.844 -24.894 7.137 1.00 0.53 H new ATOM 0 HD1 HIS A 68 33.130 -24.139 9.654 1.00 1.68 H new ATOM 0 HD2 HIS A 68 30.205 -27.047 8.969 1.00 1.56 H new ATOM 0 HE1 HIS A 68 32.603 -25.176 11.914 1.00 1.98 H new ATOM 1071 N LEU A 69 31.096 -22.130 8.473 1.00 0.44 N ATOM 1072 CA LEU A 69 31.719 -20.952 9.057 1.00 0.47 C ATOM 1073 C LEU A 69 33.110 -21.322 9.554 1.00 0.49 C ATOM 1074 O LEU A 69 33.263 -22.307 10.281 1.00 0.58 O ATOM 1075 CB LEU A 69 30.853 -20.402 10.198 1.00 0.59 C ATOM 1076 CG LEU A 69 31.471 -19.256 11.009 1.00 0.71 C ATOM 1077 CD1 LEU A 69 31.863 -18.094 10.104 1.00 0.74 C ATOM 1078 CD2 LEU A 69 30.499 -18.789 12.079 1.00 0.95 C ATOM 0 H LEU A 69 30.312 -22.505 9.007 1.00 0.44 H new ATOM 0 HA LEU A 69 31.808 -20.170 8.303 1.00 0.47 H new ATOM 0 HB2 LEU A 69 29.908 -20.057 9.778 1.00 0.59 H new ATOM 0 HB3 LEU A 69 30.620 -21.220 10.879 1.00 0.59 H new ATOM 0 HG LEU A 69 32.376 -19.628 11.490 1.00 0.71 H new ATOM 0 HD11 LEU A 69 32.298 -17.296 10.705 1.00 0.74 H new ATOM 0 HD12 LEU A 69 32.593 -18.435 9.370 1.00 0.74 H new ATOM 0 HD13 LEU A 69 30.978 -17.719 9.589 1.00 0.74 H new ATOM 0 HD21 LEU A 69 30.948 -17.975 12.649 1.00 0.95 H new ATOM 0 HD22 LEU A 69 29.581 -18.439 11.608 1.00 0.95 H new ATOM 0 HD23 LEU A 69 30.270 -19.618 12.749 1.00 0.95 H new ATOM 1090 N GLU A 70 34.110 -20.540 9.152 1.00 0.59 N ATOM 1091 CA GLU A 70 35.510 -20.903 9.351 1.00 0.69 C ATOM 1092 C GLU A 70 35.802 -22.253 8.719 1.00 0.69 C ATOM 1093 O GLU A 70 35.843 -23.292 9.381 1.00 0.96 O ATOM 1094 CB GLU A 70 35.902 -20.875 10.827 1.00 0.95 C ATOM 1095 CG GLU A 70 36.571 -19.572 11.230 1.00 1.12 C ATOM 1096 CD GLU A 70 35.775 -18.351 10.817 1.00 1.47 C ATOM 1097 OE1 GLU A 70 35.911 -17.913 9.656 1.00 1.79 O ATOM 1098 OE2 GLU A 70 35.003 -17.839 11.655 1.00 2.08 O ATOM 0 H GLU A 70 33.974 -19.644 8.683 1.00 0.59 H new ATOM 0 HA GLU A 70 36.125 -20.154 8.852 1.00 0.69 H new ATOM 0 HB2 GLU A 70 35.012 -21.026 11.438 1.00 0.95 H new ATOM 0 HB3 GLU A 70 36.577 -21.705 11.036 1.00 0.95 H new ATOM 0 HG2 GLU A 70 36.711 -19.560 12.311 1.00 1.12 H new ATOM 0 HG3 GLU A 70 37.562 -19.523 10.779 1.00 1.12 H new ATOM 1105 N GLN A 71 35.965 -22.212 7.411 1.00 0.68 N ATOM 1106 CA GLN A 71 36.138 -23.407 6.606 1.00 0.86 C ATOM 1107 C GLN A 71 37.404 -23.288 5.760 1.00 0.83 C ATOM 1108 O GLN A 71 37.818 -24.230 5.089 1.00 0.96 O ATOM 1109 CB GLN A 71 34.888 -23.575 5.734 1.00 1.05 C ATOM 1110 CG GLN A 71 34.966 -24.655 4.671 1.00 0.96 C ATOM 1111 CD GLN A 71 33.656 -24.801 3.925 1.00 1.14 C ATOM 1112 OE1 GLN A 71 32.819 -25.635 4.268 1.00 1.98 O ATOM 1113 NE2 GLN A 71 33.443 -23.948 2.938 1.00 0.97 N ATOM 0 H GLN A 71 35.981 -21.345 6.874 1.00 0.68 H new ATOM 0 HA GLN A 71 36.255 -24.288 7.238 1.00 0.86 H new ATOM 0 HB2 GLN A 71 34.041 -23.792 6.384 1.00 1.05 H new ATOM 0 HB3 GLN A 71 34.679 -22.624 5.244 1.00 1.05 H new ATOM 0 HG2 GLN A 71 35.762 -24.415 3.966 1.00 0.96 H new ATOM 0 HG3 GLN A 71 35.228 -25.605 5.136 1.00 0.96 H new ATOM 0 HE21 GLN A 71 34.163 -23.272 2.684 1.00 0.97 H new ATOM 0 HE22 GLN A 71 32.559 -23.966 2.430 1.00 0.97 H new ATOM 1122 N GLY A 72 38.026 -22.118 5.817 1.00 0.72 N ATOM 1123 CA GLY A 72 39.213 -21.862 5.023 1.00 0.72 C ATOM 1124 C GLY A 72 38.888 -21.341 3.637 1.00 0.67 C ATOM 1125 O GLY A 72 39.735 -20.740 2.984 1.00 0.70 O ATOM 0 H GLY A 72 37.728 -21.337 6.402 1.00 0.72 H new ATOM 0 HA2 GLY A 72 39.842 -21.138 5.541 1.00 0.72 H new ATOM 0 HA3 GLY A 72 39.791 -22.782 4.935 1.00 0.72 H new ATOM 1129 N GLU A 73 37.653 -21.559 3.198 1.00 0.63 N ATOM 1130 CA GLU A 73 37.201 -21.069 1.900 1.00 0.62 C ATOM 1131 C GLU A 73 36.661 -19.652 2.051 1.00 0.57 C ATOM 1132 O GLU A 73 36.593 -18.886 1.095 1.00 0.66 O ATOM 1133 CB GLU A 73 36.109 -21.979 1.321 1.00 0.67 C ATOM 1134 CG GLU A 73 36.443 -23.465 1.356 1.00 0.73 C ATOM 1135 CD GLU A 73 37.790 -23.787 0.746 1.00 0.81 C ATOM 1136 OE1 GLU A 73 38.099 -23.264 -0.345 1.00 0.97 O ATOM 1137 OE2 GLU A 73 38.556 -24.552 1.370 1.00 0.92 O ATOM 0 H GLU A 73 36.945 -22.073 3.723 1.00 0.63 H new ATOM 0 HA GLU A 73 38.049 -21.070 1.215 1.00 0.62 H new ATOM 0 HB2 GLU A 73 35.185 -21.814 1.874 1.00 0.67 H new ATOM 0 HB3 GLU A 73 35.919 -21.686 0.288 1.00 0.67 H new ATOM 0 HG2 GLU A 73 36.428 -23.810 2.390 1.00 0.73 H new ATOM 0 HG3 GLU A 73 35.669 -24.018 0.824 1.00 0.73 H new ATOM 1144 N VAL A 74 36.279 -19.311 3.273 1.00 0.50 N ATOM 1145 CA VAL A 74 35.730 -17.998 3.558 1.00 0.45 C ATOM 1146 C VAL A 74 36.732 -17.178 4.367 1.00 0.41 C ATOM 1147 O VAL A 74 37.206 -17.617 5.415 1.00 0.46 O ATOM 1148 CB VAL A 74 34.379 -18.098 4.313 1.00 0.50 C ATOM 1149 CG1 VAL A 74 33.342 -18.808 3.457 1.00 0.58 C ATOM 1150 CG2 VAL A 74 34.537 -18.818 5.644 1.00 0.55 C ATOM 0 H VAL A 74 36.340 -19.928 4.083 1.00 0.50 H new ATOM 0 HA VAL A 74 35.541 -17.498 2.608 1.00 0.45 H new ATOM 0 HB VAL A 74 34.039 -17.082 4.516 1.00 0.50 H new ATOM 0 HG11 VAL A 74 32.400 -18.869 4.002 1.00 0.58 H new ATOM 0 HG12 VAL A 74 33.190 -18.251 2.532 1.00 0.58 H new ATOM 0 HG13 VAL A 74 33.691 -19.813 3.222 1.00 0.58 H new ATOM 0 HG21 VAL A 74 33.571 -18.870 6.146 1.00 0.55 H new ATOM 0 HG22 VAL A 74 34.910 -19.827 5.470 1.00 0.55 H new ATOM 0 HG23 VAL A 74 35.243 -18.273 6.271 1.00 0.55 H new ATOM 1160 N ILE A 75 37.087 -16.003 3.863 1.00 0.38 N ATOM 1161 CA ILE A 75 38.062 -15.162 4.546 1.00 0.40 C ATOM 1162 C ILE A 75 37.397 -14.096 5.412 1.00 0.39 C ATOM 1163 O ILE A 75 37.602 -14.063 6.622 1.00 0.47 O ATOM 1164 CB ILE A 75 39.105 -14.510 3.594 1.00 0.45 C ATOM 1165 CG1 ILE A 75 38.464 -13.901 2.327 1.00 0.46 C ATOM 1166 CG2 ILE A 75 40.176 -15.530 3.225 1.00 0.53 C ATOM 1167 CD1 ILE A 75 38.230 -14.884 1.202 1.00 0.62 C ATOM 0 H ILE A 75 36.720 -15.614 2.994 1.00 0.38 H new ATOM 0 HA ILE A 75 38.611 -15.845 5.194 1.00 0.40 H new ATOM 0 HB ILE A 75 39.563 -13.680 4.132 1.00 0.45 H new ATOM 0 HG12 ILE A 75 37.511 -13.449 2.600 1.00 0.46 H new ATOM 0 HG13 ILE A 75 39.105 -13.098 1.962 1.00 0.46 H new ATOM 0 HG21 ILE A 75 40.904 -15.068 2.558 1.00 0.53 H new ATOM 0 HG22 ILE A 75 40.679 -15.873 4.129 1.00 0.53 H new ATOM 0 HG23 ILE A 75 39.712 -16.379 2.723 1.00 0.53 H new ATOM 0 HD11 ILE A 75 37.778 -14.367 0.356 1.00 0.62 H new ATOM 0 HD12 ILE A 75 39.181 -15.319 0.895 1.00 0.62 H new ATOM 0 HD13 ILE A 75 37.562 -15.675 1.543 1.00 0.62 H new ATOM 1179 N LYS A 76 36.586 -13.237 4.806 1.00 0.33 N ATOM 1180 CA LYS A 76 35.988 -12.113 5.524 1.00 0.35 C ATOM 1181 C LYS A 76 34.625 -11.750 4.954 1.00 0.29 C ATOM 1182 O LYS A 76 33.714 -11.418 5.704 1.00 0.31 O ATOM 1183 CB LYS A 76 36.915 -10.886 5.484 1.00 0.48 C ATOM 1184 CG LYS A 76 38.145 -10.992 6.383 1.00 0.62 C ATOM 1185 CD LYS A 76 37.896 -10.428 7.779 1.00 0.98 C ATOM 1186 CE LYS A 76 36.840 -11.202 8.554 1.00 1.18 C ATOM 1187 NZ LYS A 76 37.292 -12.575 8.916 1.00 2.04 N ATOM 0 H LYS A 76 36.326 -13.295 3.821 1.00 0.33 H new ATOM 0 HA LYS A 76 35.853 -12.423 6.560 1.00 0.35 H new ATOM 0 HB2 LYS A 76 37.244 -10.728 4.457 1.00 0.48 H new ATOM 0 HB3 LYS A 76 36.343 -10.005 5.775 1.00 0.48 H new ATOM 0 HG2 LYS A 76 38.443 -12.037 6.464 1.00 0.62 H new ATOM 0 HG3 LYS A 76 38.976 -10.459 5.922 1.00 0.62 H new ATOM 0 HD2 LYS A 76 38.830 -10.437 8.340 1.00 0.98 H new ATOM 0 HD3 LYS A 76 37.586 -9.387 7.694 1.00 0.98 H new ATOM 0 HE2 LYS A 76 36.586 -10.655 9.462 1.00 1.18 H new ATOM 0 HE3 LYS A 76 35.931 -11.268 7.957 1.00 1.18 H new ATOM 0 HZ1 LYS A 76 36.643 -12.980 9.620 1.00 2.04 H new ATOM 0 HZ2 LYS A 76 37.298 -13.174 8.066 1.00 2.04 H new ATOM 0 HZ3 LYS A 76 38.251 -12.531 9.315 1.00 2.04 H new ATOM 1201 N GLY A 77 34.487 -11.821 3.632 1.00 0.29 N ATOM 1202 CA GLY A 77 33.226 -11.462 2.999 1.00 0.30 C ATOM 1203 C GLY A 77 32.043 -12.230 3.563 1.00 0.27 C ATOM 1204 O GLY A 77 31.055 -11.634 3.983 1.00 0.32 O ATOM 0 H GLY A 77 35.221 -12.119 2.990 1.00 0.29 H new ATOM 0 HA2 GLY A 77 33.053 -10.393 3.126 1.00 0.30 H new ATOM 0 HA3 GLY A 77 33.297 -11.649 1.927 1.00 0.30 H new ATOM 1208 N TRP A 78 32.151 -13.551 3.592 1.00 0.24 N ATOM 1209 CA TRP A 78 31.092 -14.394 4.130 1.00 0.26 C ATOM 1210 C TRP A 78 31.089 -14.357 5.657 1.00 0.29 C ATOM 1211 O TRP A 78 30.046 -14.528 6.284 1.00 0.30 O ATOM 1212 CB TRP A 78 31.271 -15.832 3.641 1.00 0.28 C ATOM 1213 CG TRP A 78 31.356 -15.939 2.144 1.00 0.29 C ATOM 1214 CD1 TRP A 78 30.315 -16.099 1.276 1.00 0.32 C ATOM 1215 CD2 TRP A 78 32.546 -15.883 1.341 1.00 0.34 C ATOM 1216 NE1 TRP A 78 30.783 -16.146 -0.014 1.00 0.36 N ATOM 1217 CE2 TRP A 78 32.146 -16.017 -0.004 1.00 0.37 C ATOM 1218 CE3 TRP A 78 33.911 -15.737 1.623 1.00 0.40 C ATOM 1219 CZ2 TRP A 78 33.057 -16.004 -1.056 1.00 0.43 C ATOM 1220 CZ3 TRP A 78 34.810 -15.724 0.575 1.00 0.48 C ATOM 1221 CH2 TRP A 78 34.382 -15.856 -0.748 1.00 0.49 C ATOM 0 H TRP A 78 32.963 -14.063 3.248 1.00 0.24 H new ATOM 0 HA TRP A 78 30.135 -14.011 3.777 1.00 0.26 H new ATOM 0 HB2 TRP A 78 32.177 -16.249 4.081 1.00 0.28 H new ATOM 0 HB3 TRP A 78 30.436 -16.437 3.996 1.00 0.28 H new ATOM 0 HD1 TRP A 78 29.276 -16.177 1.562 1.00 0.32 H new ATOM 0 HE1 TRP A 78 30.206 -16.259 -0.848 1.00 0.36 H new ATOM 0 HE3 TRP A 78 34.254 -15.636 2.642 1.00 0.40 H new ATOM 0 HZ2 TRP A 78 32.730 -16.107 -2.080 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 35.864 -15.610 0.782 1.00 0.48 H new ATOM 0 HH2 TRP A 78 35.112 -15.841 -1.544 1.00 0.49 H new ATOM 1232 N ASP A 79 32.270 -14.108 6.231 1.00 0.35 N ATOM 1233 CA ASP A 79 32.476 -14.098 7.686 1.00 0.42 C ATOM 1234 C ASP A 79 31.469 -13.192 8.383 1.00 0.43 C ATOM 1235 O ASP A 79 30.730 -13.628 9.264 1.00 0.47 O ATOM 1236 CB ASP A 79 33.905 -13.606 7.975 1.00 0.52 C ATOM 1237 CG ASP A 79 34.261 -13.493 9.456 1.00 0.76 C ATOM 1238 OD1 ASP A 79 33.579 -12.759 10.196 1.00 0.90 O ATOM 1239 OD2 ASP A 79 35.274 -14.096 9.862 1.00 1.14 O ATOM 0 H ASP A 79 33.116 -13.906 5.698 1.00 0.35 H new ATOM 0 HA ASP A 79 32.334 -15.108 8.070 1.00 0.42 H new ATOM 0 HB2 ASP A 79 34.611 -14.286 7.498 1.00 0.52 H new ATOM 0 HB3 ASP A 79 34.038 -12.630 7.509 1.00 0.52 H new ATOM 1244 N ILE A 80 31.411 -11.948 7.934 1.00 0.45 N ATOM 1245 CA ILE A 80 30.595 -10.928 8.583 1.00 0.52 C ATOM 1246 C ILE A 80 29.098 -11.216 8.421 1.00 0.47 C ATOM 1247 O ILE A 80 28.292 -10.879 9.291 1.00 0.56 O ATOM 1248 CB ILE A 80 30.936 -9.513 8.032 1.00 0.63 C ATOM 1249 CG1 ILE A 80 32.158 -8.925 8.742 1.00 0.75 C ATOM 1250 CG2 ILE A 80 29.759 -8.553 8.147 1.00 0.78 C ATOM 1251 CD1 ILE A 80 33.416 -9.747 8.595 1.00 0.70 C ATOM 0 H ILE A 80 31.923 -11.616 7.116 1.00 0.45 H new ATOM 0 HA ILE A 80 30.828 -10.954 9.648 1.00 0.52 H new ATOM 0 HB ILE A 80 31.165 -9.638 6.974 1.00 0.63 H new ATOM 0 HG12 ILE A 80 32.344 -7.924 8.352 1.00 0.75 H new ATOM 0 HG13 ILE A 80 31.930 -8.817 9.802 1.00 0.75 H new ATOM 0 HG21 ILE A 80 30.044 -7.579 7.750 1.00 0.78 H new ATOM 0 HG22 ILE A 80 28.914 -8.943 7.579 1.00 0.78 H new ATOM 0 HG23 ILE A 80 29.475 -8.449 9.194 1.00 0.78 H new ATOM 0 HD11 ILE A 80 34.233 -9.260 9.127 1.00 0.70 H new ATOM 0 HD12 ILE A 80 33.252 -10.741 9.012 1.00 0.70 H new ATOM 0 HD13 ILE A 80 33.672 -9.835 7.539 1.00 0.70 H new ATOM 1263 N CYS A 81 28.730 -11.843 7.313 1.00 0.38 N ATOM 1264 CA CYS A 81 27.330 -12.117 7.034 1.00 0.40 C ATOM 1265 C CYS A 81 26.821 -13.287 7.877 1.00 0.35 C ATOM 1266 O CYS A 81 25.863 -13.145 8.638 1.00 0.42 O ATOM 1267 CB CYS A 81 27.136 -12.413 5.542 1.00 0.44 C ATOM 1268 SG CYS A 81 25.407 -12.519 5.018 1.00 0.55 S ATOM 0 H CYS A 81 29.378 -12.170 6.597 1.00 0.38 H new ATOM 0 HA CYS A 81 26.751 -11.232 7.298 1.00 0.40 H new ATOM 0 HB2 CYS A 81 27.631 -11.634 4.962 1.00 0.44 H new ATOM 0 HB3 CYS A 81 27.633 -13.353 5.303 1.00 0.44 H new ATOM 0 HG CYS A 81 25.354 -12.727 3.736 1.00 0.55 H new ATOM 1274 N VAL A 82 27.493 -14.430 7.769 1.00 0.30 N ATOM 1275 CA VAL A 82 26.983 -15.677 8.343 1.00 0.34 C ATOM 1276 C VAL A 82 26.953 -15.672 9.872 1.00 0.39 C ATOM 1277 O VAL A 82 26.057 -16.258 10.470 1.00 0.48 O ATOM 1278 CB VAL A 82 27.774 -16.907 7.854 1.00 0.36 C ATOM 1279 CG1 VAL A 82 27.625 -17.065 6.352 1.00 0.84 C ATOM 1280 CG2 VAL A 82 29.240 -16.810 8.243 1.00 0.73 C ATOM 0 H VAL A 82 28.390 -14.521 7.291 1.00 0.30 H new ATOM 0 HA VAL A 82 25.955 -15.747 7.988 1.00 0.34 H new ATOM 0 HB VAL A 82 27.361 -17.791 8.340 1.00 0.36 H new ATOM 0 HG11 VAL A 82 28.188 -17.937 6.020 1.00 0.84 H new ATOM 0 HG12 VAL A 82 26.572 -17.197 6.103 1.00 0.84 H new ATOM 0 HG13 VAL A 82 28.007 -16.175 5.853 1.00 0.84 H new ATOM 0 HG21 VAL A 82 29.771 -17.692 7.884 1.00 0.73 H new ATOM 0 HG22 VAL A 82 29.677 -15.917 7.796 1.00 0.73 H new ATOM 0 HG23 VAL A 82 29.325 -16.752 9.328 1.00 0.73 H new ATOM 1290 N SER A 83 27.913 -15.002 10.500 1.00 0.39 N ATOM 1291 CA SER A 83 28.011 -14.986 11.958 1.00 0.49 C ATOM 1292 C SER A 83 27.020 -13.994 12.567 1.00 0.48 C ATOM 1293 O SER A 83 26.929 -13.857 13.788 1.00 0.60 O ATOM 1294 CB SER A 83 29.439 -14.628 12.377 1.00 0.63 C ATOM 1295 OG SER A 83 29.834 -13.387 11.819 1.00 1.43 O ATOM 0 H SER A 83 28.635 -14.462 10.024 1.00 0.39 H new ATOM 0 HA SER A 83 27.763 -15.980 12.329 1.00 0.49 H new ATOM 0 HB2 SER A 83 29.502 -14.579 13.464 1.00 0.63 H new ATOM 0 HB3 SER A 83 30.124 -15.411 12.053 1.00 0.63 H new ATOM 0 HG SER A 83 30.223 -13.536 10.932 1.00 1.43 H new ATOM 1301 N SER A 84 26.267 -13.323 11.709 1.00 0.50 N ATOM 1302 CA SER A 84 25.366 -12.272 12.145 1.00 0.53 C ATOM 1303 C SER A 84 23.943 -12.546 11.643 1.00 0.51 C ATOM 1304 O SER A 84 23.143 -11.626 11.484 1.00 0.64 O ATOM 1305 CB SER A 84 25.884 -10.929 11.610 1.00 0.69 C ATOM 1306 OG SER A 84 25.460 -9.837 12.411 1.00 1.23 O ATOM 0 H SER A 84 26.264 -13.490 10.703 1.00 0.50 H new ATOM 0 HA SER A 84 25.332 -12.240 13.234 1.00 0.53 H new ATOM 0 HB2 SER A 84 26.973 -10.950 11.573 1.00 0.69 H new ATOM 0 HB3 SER A 84 25.533 -10.786 10.588 1.00 0.69 H new ATOM 0 HG SER A 84 26.235 -9.441 12.860 1.00 1.23 H new ATOM 1312 N MET A 85 23.632 -13.820 11.401 1.00 0.46 N ATOM 1313 CA MET A 85 22.312 -14.207 10.896 1.00 0.49 C ATOM 1314 C MET A 85 21.548 -15.050 11.908 1.00 0.49 C ATOM 1315 O MET A 85 22.126 -15.875 12.605 1.00 0.74 O ATOM 1316 CB MET A 85 22.432 -15.000 9.604 1.00 0.54 C ATOM 1317 CG MET A 85 23.026 -14.216 8.455 1.00 0.63 C ATOM 1318 SD MET A 85 23.138 -15.205 6.958 1.00 1.05 S ATOM 1319 CE MET A 85 23.791 -16.729 7.638 1.00 2.27 C ATOM 0 H MET A 85 24.273 -14.600 11.546 1.00 0.46 H new ATOM 0 HA MET A 85 21.766 -13.281 10.714 1.00 0.49 H new ATOM 0 HB2 MET A 85 23.047 -15.881 9.786 1.00 0.54 H new ATOM 0 HB3 MET A 85 21.443 -15.356 9.315 1.00 0.54 H new ATOM 0 HG2 MET A 85 22.415 -13.334 8.263 1.00 0.63 H new ATOM 0 HG3 MET A 85 24.019 -13.862 8.732 1.00 0.63 H new ATOM 0 HE1 MET A 85 24.656 -17.046 7.055 1.00 2.27 H new ATOM 0 HE2 MET A 85 24.091 -16.566 8.673 1.00 2.27 H new ATOM 0 HE3 MET A 85 23.024 -17.503 7.600 1.00 2.27 H new ATOM 1329 N ARG A 86 20.249 -14.834 11.986 1.00 0.45 N ATOM 1330 CA ARG A 86 19.383 -15.689 12.784 1.00 0.46 C ATOM 1331 C ARG A 86 18.850 -16.832 11.915 1.00 0.49 C ATOM 1332 O ARG A 86 18.918 -16.762 10.692 1.00 0.57 O ATOM 1333 CB ARG A 86 18.245 -14.859 13.375 1.00 0.49 C ATOM 1334 CG ARG A 86 18.745 -13.795 14.336 1.00 0.96 C ATOM 1335 CD ARG A 86 17.767 -12.641 14.471 1.00 1.24 C ATOM 1336 NE ARG A 86 18.258 -11.612 15.389 1.00 2.20 N ATOM 1337 CZ ARG A 86 18.134 -10.301 15.174 1.00 3.10 C ATOM 1338 NH1 ARG A 86 17.637 -9.854 14.025 1.00 3.34 N ATOM 1339 NH2 ARG A 86 18.555 -9.432 16.090 1.00 4.19 N ATOM 0 H ARG A 86 19.767 -14.073 11.507 1.00 0.45 H new ATOM 0 HA ARG A 86 19.947 -16.124 13.609 1.00 0.46 H new ATOM 0 HB2 ARG A 86 17.688 -14.383 12.568 1.00 0.49 H new ATOM 0 HB3 ARG A 86 17.550 -15.518 13.896 1.00 0.49 H new ATOM 0 HG2 ARG A 86 18.914 -14.243 15.315 1.00 0.96 H new ATOM 0 HG3 ARG A 86 19.706 -13.416 13.988 1.00 0.96 H new ATOM 0 HD2 ARG A 86 17.591 -12.198 13.491 1.00 1.24 H new ATOM 0 HD3 ARG A 86 16.808 -13.018 14.828 1.00 1.24 H new ATOM 0 HE ARG A 86 18.723 -11.915 16.245 1.00 2.20 H new ATOM 0 HH11 ARG A 86 17.348 -10.514 13.303 1.00 3.34 H new ATOM 0 HH12 ARG A 86 17.544 -8.851 13.865 1.00 3.34 H new ATOM 0 HH21 ARG A 86 18.973 -9.768 16.958 1.00 4.19 H new ATOM 0 HH22 ARG A 86 18.460 -8.430 15.924 1.00 4.19 H new ATOM 1353 N LYS A 87 18.306 -17.871 12.545 1.00 0.51 N ATOM 1354 CA LYS A 87 17.938 -19.098 11.824 1.00 0.59 C ATOM 1355 C LYS A 87 16.812 -18.870 10.806 1.00 0.59 C ATOM 1356 O LYS A 87 16.643 -19.651 9.873 1.00 0.74 O ATOM 1357 CB LYS A 87 17.535 -20.201 12.812 1.00 0.68 C ATOM 1358 CG LYS A 87 17.279 -21.547 12.146 1.00 0.84 C ATOM 1359 CD LYS A 87 16.924 -22.622 13.157 1.00 1.03 C ATOM 1360 CE LYS A 87 16.548 -23.925 12.468 1.00 1.26 C ATOM 1361 NZ LYS A 87 15.362 -23.768 11.585 1.00 1.94 N ATOM 0 H LYS A 87 18.109 -17.893 13.546 1.00 0.51 H new ATOM 0 HA LYS A 87 18.821 -19.411 11.266 1.00 0.59 H new ATOM 0 HB2 LYS A 87 18.322 -20.317 13.557 1.00 0.68 H new ATOM 0 HB3 LYS A 87 16.636 -19.891 13.344 1.00 0.68 H new ATOM 0 HG2 LYS A 87 16.469 -21.446 11.424 1.00 0.84 H new ATOM 0 HG3 LYS A 87 18.166 -21.851 11.590 1.00 0.84 H new ATOM 0 HD2 LYS A 87 17.770 -22.791 13.823 1.00 1.03 H new ATOM 0 HD3 LYS A 87 16.094 -22.282 13.776 1.00 1.03 H new ATOM 0 HE2 LYS A 87 17.394 -24.280 11.879 1.00 1.26 H new ATOM 0 HE3 LYS A 87 16.341 -24.686 13.220 1.00 1.26 H new ATOM 0 HZ1 LYS A 87 14.956 -24.703 11.380 1.00 1.94 H new ATOM 0 HZ2 LYS A 87 14.650 -23.178 12.062 1.00 1.94 H new ATOM 0 HZ3 LYS A 87 15.649 -23.312 10.695 1.00 1.94 H new ATOM 1375 N ASN A 88 16.034 -17.817 10.985 1.00 0.55 N ATOM 1376 CA ASN A 88 14.992 -17.481 10.019 1.00 0.66 C ATOM 1377 C ASN A 88 15.278 -16.124 9.406 1.00 0.60 C ATOM 1378 O ASN A 88 14.385 -15.443 8.907 1.00 0.71 O ATOM 1379 CB ASN A 88 13.602 -17.496 10.664 1.00 0.79 C ATOM 1380 CG ASN A 88 13.076 -18.907 10.866 1.00 0.96 C ATOM 1381 OD1 ASN A 88 12.479 -19.495 9.961 1.00 1.23 O ATOM 1382 ND2 ASN A 88 13.273 -19.455 12.057 1.00 1.20 N ATOM 0 H ASN A 88 16.099 -17.183 11.781 1.00 0.55 H new ATOM 0 HA ASN A 88 14.998 -18.238 9.235 1.00 0.66 H new ATOM 0 HB2 ASN A 88 13.645 -16.985 11.626 1.00 0.79 H new ATOM 0 HB3 ASN A 88 12.907 -16.938 10.037 1.00 0.79 H new ATOM 0 HD21 ASN A 88 12.926 -20.395 12.250 1.00 1.20 H new ATOM 0 HD22 ASN A 88 13.772 -18.937 12.781 1.00 1.20 H new ATOM 1389 N GLU A 89 16.545 -15.760 9.425 1.00 0.50 N ATOM 1390 CA GLU A 89 16.985 -14.473 8.928 1.00 0.46 C ATOM 1391 C GLU A 89 17.935 -14.668 7.754 1.00 0.47 C ATOM 1392 O GLU A 89 18.854 -15.484 7.810 1.00 0.65 O ATOM 1393 CB GLU A 89 17.642 -13.711 10.070 1.00 0.50 C ATOM 1394 CG GLU A 89 18.078 -12.298 9.740 1.00 0.48 C ATOM 1395 CD GLU A 89 18.431 -11.532 10.991 1.00 1.01 C ATOM 1396 OE1 GLU A 89 19.481 -11.827 11.589 1.00 1.60 O ATOM 1397 OE2 GLU A 89 17.640 -10.654 11.398 1.00 1.38 O ATOM 0 H GLU A 89 17.297 -16.348 9.785 1.00 0.50 H new ATOM 0 HA GLU A 89 16.138 -13.891 8.564 1.00 0.46 H new ATOM 0 HB2 GLU A 89 16.945 -13.672 10.907 1.00 0.50 H new ATOM 0 HB3 GLU A 89 18.513 -14.273 10.406 1.00 0.50 H new ATOM 0 HG2 GLU A 89 18.939 -12.326 9.072 1.00 0.48 H new ATOM 0 HG3 GLU A 89 17.279 -11.782 9.208 1.00 0.48 H new ATOM 1404 N LYS A 90 17.697 -13.924 6.688 1.00 0.39 N ATOM 1405 CA LYS A 90 18.428 -14.109 5.447 1.00 0.40 C ATOM 1406 C LYS A 90 18.805 -12.761 4.853 1.00 0.39 C ATOM 1407 O LYS A 90 17.960 -11.876 4.714 1.00 0.47 O ATOM 1408 CB LYS A 90 17.574 -14.916 4.463 1.00 0.50 C ATOM 1409 CG LYS A 90 18.205 -15.097 3.094 1.00 0.56 C ATOM 1410 CD LYS A 90 17.436 -14.332 2.028 1.00 0.93 C ATOM 1411 CE LYS A 90 17.991 -14.612 0.643 1.00 0.85 C ATOM 1412 NZ LYS A 90 17.158 -14.013 -0.434 1.00 1.17 N ATOM 0 H LYS A 90 16.998 -13.181 6.658 1.00 0.39 H new ATOM 0 HA LYS A 90 19.347 -14.660 5.648 1.00 0.40 H new ATOM 0 HB2 LYS A 90 17.376 -15.898 4.892 1.00 0.50 H new ATOM 0 HB3 LYS A 90 16.611 -14.420 4.344 1.00 0.50 H new ATOM 0 HG2 LYS A 90 19.239 -14.752 3.119 1.00 0.56 H new ATOM 0 HG3 LYS A 90 18.229 -16.156 2.839 1.00 0.56 H new ATOM 0 HD2 LYS A 90 16.383 -14.612 2.064 1.00 0.93 H new ATOM 0 HD3 LYS A 90 17.489 -13.263 2.235 1.00 0.93 H new ATOM 0 HE2 LYS A 90 19.005 -14.219 0.575 1.00 0.85 H new ATOM 0 HE3 LYS A 90 18.056 -15.689 0.492 1.00 0.85 H new ATOM 0 HZ1 LYS A 90 17.230 -14.595 -1.293 1.00 1.17 H new ATOM 0 HZ2 LYS A 90 16.166 -13.974 -0.124 1.00 1.17 H new ATOM 0 HZ3 LYS A 90 17.495 -13.051 -0.639 1.00 1.17 H new ATOM 1426 N CYS A 91 20.071 -12.605 4.508 1.00 0.35 N ATOM 1427 CA CYS A 91 20.555 -11.341 3.983 1.00 0.38 C ATOM 1428 C CYS A 91 21.513 -11.557 2.817 1.00 0.32 C ATOM 1429 O CYS A 91 21.899 -12.691 2.517 1.00 0.37 O ATOM 1430 CB CYS A 91 21.243 -10.533 5.086 1.00 0.48 C ATOM 1431 SG CYS A 91 20.147 -10.037 6.437 1.00 1.20 S ATOM 0 H CYS A 91 20.780 -13.335 4.582 1.00 0.35 H new ATOM 0 HA CYS A 91 19.695 -10.781 3.616 1.00 0.38 H new ATOM 0 HB2 CYS A 91 22.062 -11.124 5.496 1.00 0.48 H new ATOM 0 HB3 CYS A 91 21.684 -9.639 4.645 1.00 0.48 H new ATOM 0 HG CYS A 91 18.938 -10.444 6.186 1.00 1.20 H new ATOM 1437 N LEU A 92 21.876 -10.464 2.161 1.00 0.31 N ATOM 1438 CA LEU A 92 22.799 -10.501 1.039 1.00 0.32 C ATOM 1439 C LEU A 92 24.087 -9.803 1.447 1.00 0.28 C ATOM 1440 O LEU A 92 24.065 -8.830 2.201 1.00 0.39 O ATOM 1441 CB LEU A 92 22.170 -9.796 -0.172 1.00 0.40 C ATOM 1442 CG LEU A 92 22.777 -10.102 -1.550 1.00 0.79 C ATOM 1443 CD1 LEU A 92 21.763 -9.801 -2.641 1.00 1.39 C ATOM 1444 CD2 LEU A 92 24.036 -9.280 -1.787 1.00 1.73 C ATOM 0 H LEU A 92 21.539 -9.529 2.392 1.00 0.31 H new ATOM 0 HA LEU A 92 23.015 -11.533 0.763 1.00 0.32 H new ATOM 0 HB2 LEU A 92 21.112 -10.055 -0.203 1.00 0.40 H new ATOM 0 HB3 LEU A 92 22.230 -8.720 -0.007 1.00 0.40 H new ATOM 0 HG LEU A 92 23.042 -11.159 -1.576 1.00 0.79 H new ATOM 0 HD11 LEU A 92 22.201 -10.020 -3.615 1.00 1.39 H new ATOM 0 HD12 LEU A 92 20.877 -10.418 -2.494 1.00 1.39 H new ATOM 0 HD13 LEU A 92 21.484 -8.748 -2.598 1.00 1.39 H new ATOM 0 HD21 LEU A 92 24.445 -9.516 -2.769 1.00 1.73 H new ATOM 0 HD22 LEU A 92 23.792 -8.219 -1.741 1.00 1.73 H new ATOM 0 HD23 LEU A 92 24.774 -9.516 -1.020 1.00 1.73 H new ATOM 1456 N VAL A 93 25.197 -10.287 0.946 1.00 0.25 N ATOM 1457 CA VAL A 93 26.488 -9.718 1.283 1.00 0.25 C ATOM 1458 C VAL A 93 27.200 -9.235 0.021 1.00 0.23 C ATOM 1459 O VAL A 93 27.045 -9.822 -1.053 1.00 0.26 O ATOM 1460 CB VAL A 93 27.371 -10.732 2.053 1.00 0.34 C ATOM 1461 CG1 VAL A 93 27.726 -11.935 1.189 1.00 0.74 C ATOM 1462 CG2 VAL A 93 28.623 -10.061 2.583 1.00 0.60 C ATOM 0 H VAL A 93 25.237 -11.076 0.301 1.00 0.25 H new ATOM 0 HA VAL A 93 26.317 -8.865 1.939 1.00 0.25 H new ATOM 0 HB VAL A 93 26.791 -11.096 2.901 1.00 0.34 H new ATOM 0 HG11 VAL A 93 28.346 -12.624 1.762 1.00 0.74 H new ATOM 0 HG12 VAL A 93 26.812 -12.442 0.877 1.00 0.74 H new ATOM 0 HG13 VAL A 93 28.274 -11.601 0.308 1.00 0.74 H new ATOM 0 HG21 VAL A 93 29.228 -10.792 3.120 1.00 0.60 H new ATOM 0 HG22 VAL A 93 29.198 -9.655 1.751 1.00 0.60 H new ATOM 0 HG23 VAL A 93 28.344 -9.253 3.260 1.00 0.60 H new ATOM 1472 N ARG A 94 27.962 -8.159 0.154 1.00 0.25 N ATOM 1473 CA ARG A 94 28.674 -7.585 -0.971 1.00 0.30 C ATOM 1474 C ARG A 94 30.138 -7.905 -0.797 1.00 0.33 C ATOM 1475 O ARG A 94 30.793 -7.388 0.112 1.00 0.38 O ATOM 1476 CB ARG A 94 28.488 -6.066 -1.029 1.00 0.40 C ATOM 1477 CG ARG A 94 27.048 -5.598 -0.903 1.00 0.92 C ATOM 1478 CD ARG A 94 26.231 -5.845 -2.165 1.00 0.65 C ATOM 1479 NE ARG A 94 24.880 -5.278 -2.026 1.00 0.89 N ATOM 1480 CZ ARG A 94 24.267 -4.544 -2.960 1.00 1.05 C ATOM 1481 NH1 ARG A 94 24.817 -4.370 -4.151 1.00 1.71 N ATOM 1482 NH2 ARG A 94 23.077 -4.004 -2.705 1.00 1.58 N ATOM 0 H ARG A 94 28.101 -7.666 1.036 1.00 0.25 H new ATOM 0 HA ARG A 94 28.285 -8.003 -1.899 1.00 0.30 H new ATOM 0 HB2 ARG A 94 29.075 -5.611 -0.231 1.00 0.40 H new ATOM 0 HB3 ARG A 94 28.894 -5.700 -1.972 1.00 0.40 H new ATOM 0 HG2 ARG A 94 26.577 -6.111 -0.065 1.00 0.92 H new ATOM 0 HG3 ARG A 94 27.036 -4.533 -0.672 1.00 0.92 H new ATOM 0 HD2 ARG A 94 26.733 -5.397 -3.023 1.00 0.65 H new ATOM 0 HD3 ARG A 94 26.164 -6.916 -2.358 1.00 0.65 H new ATOM 0 HE ARG A 94 24.377 -5.457 -1.157 1.00 0.89 H new ATOM 0 HH11 ARG A 94 25.718 -4.798 -4.364 1.00 1.71 H new ATOM 0 HH12 ARG A 94 24.340 -3.808 -4.856 1.00 1.71 H new ATOM 0 HH21 ARG A 94 22.634 -4.151 -1.798 1.00 1.58 H new ATOM 0 HH22 ARG A 94 22.608 -3.444 -3.417 1.00 1.58 H new ATOM 1496 N ILE A 95 30.656 -8.755 -1.651 1.00 0.35 N ATOM 1497 CA ILE A 95 32.002 -9.232 -1.468 1.00 0.38 C ATOM 1498 C ILE A 95 32.979 -8.374 -2.248 1.00 0.41 C ATOM 1499 O ILE A 95 33.125 -8.510 -3.465 1.00 0.45 O ATOM 1500 CB ILE A 95 32.145 -10.726 -1.850 1.00 0.43 C ATOM 1501 CG1 ILE A 95 31.123 -11.559 -1.069 1.00 0.47 C ATOM 1502 CG2 ILE A 95 33.558 -11.221 -1.567 1.00 0.52 C ATOM 1503 CD1 ILE A 95 29.772 -11.651 -1.742 1.00 0.51 C ATOM 0 H ILE A 95 30.172 -9.126 -2.469 1.00 0.35 H new ATOM 0 HA ILE A 95 32.239 -9.151 -0.407 1.00 0.38 H new ATOM 0 HB ILE A 95 31.954 -10.835 -2.918 1.00 0.43 H new ATOM 0 HG12 ILE A 95 31.518 -12.565 -0.929 1.00 0.47 H new ATOM 0 HG13 ILE A 95 30.996 -11.125 -0.077 1.00 0.47 H new ATOM 0 HG21 ILE A 95 33.637 -12.273 -1.842 1.00 0.52 H new ATOM 0 HG22 ILE A 95 34.271 -10.639 -2.150 1.00 0.52 H new ATOM 0 HG23 ILE A 95 33.778 -11.106 -0.506 1.00 0.52 H new ATOM 0 HD11 ILE A 95 29.102 -12.256 -1.131 1.00 0.51 H new ATOM 0 HD12 ILE A 95 29.354 -10.651 -1.858 1.00 0.51 H new ATOM 0 HD13 ILE A 95 29.885 -12.113 -2.723 1.00 0.51 H new ATOM 1515 N GLU A 96 33.619 -7.461 -1.529 1.00 0.43 N ATOM 1516 CA GLU A 96 34.615 -6.579 -2.108 1.00 0.49 C ATOM 1517 C GLU A 96 35.798 -7.396 -2.612 1.00 0.45 C ATOM 1518 O GLU A 96 36.049 -8.499 -2.131 1.00 0.45 O ATOM 1519 CB GLU A 96 35.070 -5.554 -1.059 1.00 0.55 C ATOM 1520 CG GLU A 96 36.088 -4.538 -1.561 1.00 0.77 C ATOM 1521 CD GLU A 96 35.645 -3.822 -2.822 1.00 0.88 C ATOM 1522 OE1 GLU A 96 34.895 -2.826 -2.713 1.00 1.19 O ATOM 1523 OE2 GLU A 96 36.032 -4.252 -3.921 1.00 1.37 O ATOM 0 H GLU A 96 33.461 -7.314 -0.532 1.00 0.43 H new ATOM 0 HA GLU A 96 34.181 -6.043 -2.952 1.00 0.49 H new ATOM 0 HB2 GLU A 96 34.195 -5.019 -0.690 1.00 0.55 H new ATOM 0 HB3 GLU A 96 35.498 -6.088 -0.211 1.00 0.55 H new ATOM 0 HG2 GLU A 96 36.273 -3.802 -0.779 1.00 0.77 H new ATOM 0 HG3 GLU A 96 37.034 -5.045 -1.752 1.00 0.77 H new ATOM 1530 N SER A 97 36.517 -6.844 -3.571 1.00 0.49 N ATOM 1531 CA SER A 97 37.691 -7.488 -4.136 1.00 0.54 C ATOM 1532 C SER A 97 38.689 -7.890 -3.047 1.00 0.52 C ATOM 1533 O SER A 97 39.294 -8.957 -3.113 1.00 0.59 O ATOM 1534 CB SER A 97 38.340 -6.539 -5.141 1.00 0.64 C ATOM 1535 OG SER A 97 38.406 -5.221 -4.617 1.00 1.00 O ATOM 0 H SER A 97 36.304 -5.935 -3.982 1.00 0.49 H new ATOM 0 HA SER A 97 37.384 -8.404 -4.641 1.00 0.54 H new ATOM 0 HB2 SER A 97 39.343 -6.890 -5.384 1.00 0.64 H new ATOM 0 HB3 SER A 97 37.769 -6.538 -6.069 1.00 0.64 H new ATOM 0 HG SER A 97 37.540 -4.778 -4.736 1.00 1.00 H new ATOM 1541 N MET A 98 38.841 -7.039 -2.036 1.00 0.48 N ATOM 1542 CA MET A 98 39.758 -7.310 -0.934 1.00 0.53 C ATOM 1543 C MET A 98 39.160 -8.312 0.058 1.00 0.49 C ATOM 1544 O MET A 98 39.857 -8.817 0.938 1.00 0.58 O ATOM 1545 CB MET A 98 40.130 -6.006 -0.222 1.00 0.59 C ATOM 1546 CG MET A 98 38.972 -5.349 0.518 1.00 0.57 C ATOM 1547 SD MET A 98 39.424 -3.773 1.276 1.00 0.79 S ATOM 1548 CE MET A 98 39.721 -2.769 -0.180 1.00 1.79 C ATOM 0 H MET A 98 38.340 -6.154 -1.958 1.00 0.48 H new ATOM 0 HA MET A 98 40.662 -7.756 -1.350 1.00 0.53 H new ATOM 0 HB2 MET A 98 40.932 -6.208 0.487 1.00 0.59 H new ATOM 0 HB3 MET A 98 40.523 -5.303 -0.956 1.00 0.59 H new ATOM 0 HG2 MET A 98 38.148 -5.189 -0.177 1.00 0.57 H new ATOM 0 HG3 MET A 98 38.610 -6.027 1.291 1.00 0.57 H new ATOM 0 HE1 MET A 98 39.694 -1.714 0.094 1.00 1.79 H new ATOM 0 HE2 MET A 98 40.699 -3.011 -0.596 1.00 1.79 H new ATOM 0 HE3 MET A 98 38.951 -2.970 -0.924 1.00 1.79 H new ATOM 1558 N TYR A 99 37.868 -8.595 -0.086 1.00 0.41 N ATOM 1559 CA TYR A 99 37.187 -9.545 0.788 1.00 0.43 C ATOM 1560 C TYR A 99 37.021 -10.881 0.081 1.00 0.49 C ATOM 1561 O TYR A 99 36.498 -11.841 0.655 1.00 0.48 O ATOM 1562 CB TYR A 99 35.806 -9.026 1.219 1.00 0.43 C ATOM 1563 CG TYR A 99 35.837 -7.758 2.043 1.00 0.46 C ATOM 1564 CD1 TYR A 99 36.975 -7.384 2.739 1.00 0.51 C ATOM 1565 CD2 TYR A 99 34.719 -6.933 2.128 1.00 0.53 C ATOM 1566 CE1 TYR A 99 37.008 -6.232 3.489 1.00 0.59 C ATOM 1567 CE2 TYR A 99 34.746 -5.774 2.879 1.00 0.62 C ATOM 1568 CZ TYR A 99 35.895 -5.430 3.558 1.00 0.63 C ATOM 1569 OH TYR A 99 35.927 -4.286 4.316 1.00 0.75 O ATOM 0 H TYR A 99 37.271 -8.179 -0.801 1.00 0.41 H new ATOM 0 HA TYR A 99 37.802 -9.670 1.679 1.00 0.43 H new ATOM 0 HB2 TYR A 99 35.205 -8.849 0.327 1.00 0.43 H new ATOM 0 HB3 TYR A 99 35.303 -9.804 1.793 1.00 0.43 H new ATOM 0 HD1 TYR A 99 37.854 -8.010 2.692 1.00 0.51 H new ATOM 0 HD2 TYR A 99 33.817 -7.203 1.599 1.00 0.53 H new ATOM 0 HE1 TYR A 99 37.906 -5.959 4.022 1.00 0.59 H new ATOM 0 HE2 TYR A 99 33.872 -5.141 2.934 1.00 0.62 H new ATOM 0 HH TYR A 99 35.493 -4.453 5.179 1.00 0.75 H new ATOM 1579 N GLY A 100 37.455 -10.929 -1.174 1.00 0.60 N ATOM 1580 CA GLY A 100 37.368 -12.148 -1.947 1.00 0.71 C ATOM 1581 C GLY A 100 38.606 -13.001 -1.791 1.00 0.67 C ATOM 1582 O GLY A 100 39.518 -12.645 -1.047 1.00 0.67 O ATOM 0 H GLY A 100 37.867 -10.139 -1.670 1.00 0.60 H new ATOM 0 HA2 GLY A 100 36.493 -12.716 -1.632 1.00 0.71 H new ATOM 0 HA3 GLY A 100 37.226 -11.902 -2.999 1.00 0.71 H new ATOM 1586 N TYR A 101 38.642 -14.123 -2.493 1.00 0.76 N ATOM 1587 CA TYR A 101 39.757 -15.052 -2.379 1.00 0.86 C ATOM 1588 C TYR A 101 40.817 -14.756 -3.436 1.00 0.93 C ATOM 1589 O TYR A 101 42.014 -14.815 -3.163 1.00 1.52 O ATOM 1590 CB TYR A 101 39.261 -16.493 -2.516 1.00 1.01 C ATOM 1591 CG TYR A 101 39.911 -17.434 -1.530 1.00 0.86 C ATOM 1592 CD1 TYR A 101 41.133 -18.039 -1.805 1.00 1.09 C ATOM 1593 CD2 TYR A 101 39.308 -17.698 -0.308 1.00 0.75 C ATOM 1594 CE1 TYR A 101 41.728 -18.885 -0.890 1.00 1.14 C ATOM 1595 CE2 TYR A 101 39.896 -18.535 0.612 1.00 0.74 C ATOM 1596 CZ TYR A 101 41.108 -19.127 0.317 1.00 0.92 C ATOM 1597 OH TYR A 101 41.703 -19.960 1.236 1.00 1.09 O ATOM 0 H TYR A 101 37.914 -14.412 -3.146 1.00 0.76 H new ATOM 0 HA TYR A 101 40.209 -14.927 -1.395 1.00 0.86 H new ATOM 0 HB2 TYR A 101 38.181 -16.515 -2.374 1.00 1.01 H new ATOM 0 HB3 TYR A 101 39.456 -16.844 -3.529 1.00 1.01 H new ATOM 0 HD1 TYR A 101 41.623 -17.844 -2.747 1.00 1.09 H new ATOM 0 HD2 TYR A 101 38.359 -17.238 -0.075 1.00 0.75 H new ATOM 0 HE1 TYR A 101 42.673 -19.354 -1.119 1.00 1.14 H new ATOM 0 HE2 TYR A 101 39.413 -18.728 1.559 1.00 0.74 H new ATOM 0 HH TYR A 101 41.044 -20.225 1.912 1.00 1.09 H new ATOM 1607 N GLY A 102 40.366 -14.442 -4.645 1.00 1.06 N ATOM 1608 CA GLY A 102 41.284 -14.144 -5.725 1.00 1.21 C ATOM 1609 C GLY A 102 41.048 -15.013 -6.941 1.00 1.78 C ATOM 1610 O GLY A 102 40.220 -15.921 -6.913 1.00 2.30 O ATOM 0 H GLY A 102 39.379 -14.389 -4.896 1.00 1.06 H new ATOM 0 HA2 GLY A 102 41.182 -13.096 -6.006 1.00 1.21 H new ATOM 0 HA3 GLY A 102 42.307 -14.282 -5.376 1.00 1.21 H new ATOM 1614 N ASP A 103 41.772 -14.724 -8.012 1.00 2.37 N ATOM 1615 CA ASP A 103 41.656 -15.479 -9.258 1.00 3.29 C ATOM 1616 C ASP A 103 42.602 -16.668 -9.229 1.00 2.98 C ATOM 1617 O ASP A 103 42.406 -17.664 -9.922 1.00 3.44 O ATOM 1618 CB ASP A 103 41.983 -14.568 -10.448 1.00 4.29 C ATOM 1619 CG ASP A 103 41.854 -15.266 -11.791 1.00 5.21 C ATOM 1620 OD1 ASP A 103 42.839 -15.889 -12.239 1.00 5.86 O ATOM 1621 OD2 ASP A 103 40.757 -15.228 -12.387 1.00 5.54 O ATOM 0 H ASP A 103 42.453 -13.965 -8.046 1.00 2.37 H new ATOM 0 HA ASP A 103 40.635 -15.845 -9.365 1.00 3.29 H new ATOM 0 HB2 ASP A 103 41.318 -13.705 -10.429 1.00 4.29 H new ATOM 0 HB3 ASP A 103 42.999 -14.190 -10.339 1.00 4.29 H new ATOM 1626 N GLU A 104 43.609 -16.557 -8.377 1.00 2.45 N ATOM 1627 CA GLU A 104 44.670 -17.549 -8.269 1.00 2.35 C ATOM 1628 C GLU A 104 44.162 -18.864 -7.662 1.00 1.99 C ATOM 1629 O GLU A 104 44.872 -19.872 -7.644 1.00 2.35 O ATOM 1630 CB GLU A 104 45.792 -16.942 -7.424 1.00 2.63 C ATOM 1631 CG GLU A 104 47.040 -17.793 -7.305 1.00 2.96 C ATOM 1632 CD GLU A 104 48.200 -17.017 -6.720 1.00 3.62 C ATOM 1633 OE1 GLU A 104 48.050 -16.464 -5.610 1.00 4.27 O ATOM 1634 OE2 GLU A 104 49.283 -16.990 -7.344 1.00 3.81 O ATOM 0 H GLU A 104 43.715 -15.771 -7.736 1.00 2.45 H new ATOM 0 HA GLU A 104 45.041 -17.800 -9.263 1.00 2.35 H new ATOM 0 HB2 GLU A 104 46.068 -15.978 -7.853 1.00 2.63 H new ATOM 0 HB3 GLU A 104 45.407 -16.747 -6.423 1.00 2.63 H new ATOM 0 HG2 GLU A 104 46.830 -18.659 -6.678 1.00 2.96 H new ATOM 0 HG3 GLU A 104 47.316 -18.172 -8.289 1.00 2.96 H new ATOM 1641 N GLY A 105 42.923 -18.855 -7.188 1.00 1.73 N ATOM 1642 CA GLY A 105 42.347 -20.043 -6.595 1.00 2.16 C ATOM 1643 C GLY A 105 41.261 -20.653 -7.461 1.00 1.86 C ATOM 1644 O GLY A 105 41.192 -20.390 -8.663 1.00 1.83 O ATOM 0 H GLY A 105 42.306 -18.043 -7.204 1.00 1.73 H new ATOM 0 HA2 GLY A 105 43.132 -20.780 -6.429 1.00 2.16 H new ATOM 0 HA3 GLY A 105 41.932 -19.794 -5.618 1.00 2.16 H new ATOM 1648 N CYS A 106 40.411 -21.465 -6.850 1.00 2.02 N ATOM 1649 CA CYS A 106 39.315 -22.106 -7.563 1.00 1.91 C ATOM 1650 C CYS A 106 37.995 -21.408 -7.257 1.00 1.52 C ATOM 1651 O CYS A 106 37.844 -20.788 -6.205 1.00 1.85 O ATOM 1652 CB CYS A 106 39.232 -23.585 -7.177 1.00 2.62 C ATOM 1653 SG CYS A 106 40.754 -24.505 -7.497 1.00 3.34 S ATOM 0 H CYS A 106 40.459 -21.697 -5.858 1.00 2.02 H new ATOM 0 HA CYS A 106 39.505 -22.029 -8.633 1.00 1.91 H new ATOM 0 HB2 CYS A 106 38.987 -23.662 -6.118 1.00 2.62 H new ATOM 0 HB3 CYS A 106 38.414 -24.050 -7.728 1.00 2.62 H new ATOM 0 HG CYS A 106 40.595 -25.745 -7.139 1.00 3.34 H new ATOM 1659 N GLY A 107 37.047 -21.509 -8.179 1.00 1.20 N ATOM 1660 CA GLY A 107 35.764 -20.869 -7.991 1.00 1.16 C ATOM 1661 C GLY A 107 34.642 -21.594 -8.704 1.00 1.09 C ATOM 1662 O GLY A 107 34.883 -22.549 -9.446 1.00 1.19 O ATOM 0 H GLY A 107 37.146 -22.024 -9.054 1.00 1.20 H new ATOM 0 HA2 GLY A 107 35.540 -20.819 -6.925 1.00 1.16 H new ATOM 0 HA3 GLY A 107 35.817 -19.843 -8.354 1.00 1.16 H new ATOM 1666 N GLU A 108 33.420 -21.125 -8.498 1.00 1.15 N ATOM 1667 CA GLU A 108 32.242 -21.778 -9.046 1.00 1.27 C ATOM 1668 C GLU A 108 31.844 -21.194 -10.406 1.00 1.10 C ATOM 1669 O GLU A 108 32.002 -21.850 -11.438 1.00 1.19 O ATOM 1670 CB GLU A 108 31.061 -21.702 -8.056 1.00 1.53 C ATOM 1671 CG GLU A 108 31.181 -20.612 -6.989 1.00 1.74 C ATOM 1672 CD GLU A 108 31.397 -19.224 -7.564 1.00 2.49 C ATOM 1673 OE1 GLU A 108 30.448 -18.661 -8.147 1.00 3.02 O ATOM 1674 OE2 GLU A 108 32.536 -18.725 -7.484 1.00 3.08 O ATOM 0 H GLU A 108 33.219 -20.288 -7.951 1.00 1.15 H new ATOM 0 HA GLU A 108 32.498 -22.826 -9.202 1.00 1.27 H new ATOM 0 HB2 GLU A 108 30.143 -21.537 -8.621 1.00 1.53 H new ATOM 0 HB3 GLU A 108 30.961 -22.667 -7.559 1.00 1.53 H new ATOM 0 HG2 GLU A 108 30.276 -20.608 -6.381 1.00 1.74 H new ATOM 0 HG3 GLU A 108 32.010 -20.855 -6.325 1.00 1.74 H new ATOM 1681 N SER A 109 31.340 -19.967 -10.410 1.00 0.97 N ATOM 1682 CA SER A 109 30.855 -19.352 -11.634 1.00 0.88 C ATOM 1683 C SER A 109 31.807 -18.264 -12.125 1.00 0.77 C ATOM 1684 O SER A 109 32.532 -18.463 -13.105 1.00 0.85 O ATOM 1685 CB SER A 109 29.463 -18.766 -11.400 1.00 0.92 C ATOM 1686 OG SER A 109 28.593 -19.734 -10.845 1.00 1.52 O ATOM 0 H SER A 109 31.257 -19.380 -9.580 1.00 0.97 H new ATOM 0 HA SER A 109 30.802 -20.121 -12.404 1.00 0.88 H new ATOM 0 HB2 SER A 109 29.533 -17.908 -10.731 1.00 0.92 H new ATOM 0 HB3 SER A 109 29.054 -18.402 -12.343 1.00 0.92 H new ATOM 0 HG SER A 109 27.709 -19.336 -10.702 1.00 1.52 H new ATOM 1692 N ILE A 110 31.823 -17.124 -11.439 1.00 0.68 N ATOM 1693 CA ILE A 110 32.677 -16.007 -11.840 1.00 0.65 C ATOM 1694 C ILE A 110 33.275 -15.298 -10.626 1.00 0.63 C ATOM 1695 O ILE A 110 32.812 -14.234 -10.217 1.00 0.75 O ATOM 1696 CB ILE A 110 31.950 -14.963 -12.738 1.00 0.64 C ATOM 1697 CG1 ILE A 110 30.580 -14.555 -12.154 1.00 0.66 C ATOM 1698 CG2 ILE A 110 31.792 -15.489 -14.165 1.00 0.72 C ATOM 1699 CD1 ILE A 110 29.435 -15.490 -12.501 1.00 0.74 C ATOM 0 H ILE A 110 31.258 -16.949 -10.608 1.00 0.68 H new ATOM 0 HA ILE A 110 33.474 -16.455 -12.434 1.00 0.65 H new ATOM 0 HB ILE A 110 32.574 -14.069 -12.764 1.00 0.64 H new ATOM 0 HG12 ILE A 110 30.666 -14.496 -11.069 1.00 0.66 H new ATOM 0 HG13 ILE A 110 30.333 -13.554 -12.509 1.00 0.66 H new ATOM 0 HG21 ILE A 110 31.282 -14.743 -14.773 1.00 0.72 H new ATOM 0 HG22 ILE A 110 32.775 -15.692 -14.589 1.00 0.72 H new ATOM 0 HG23 ILE A 110 31.206 -16.408 -14.151 1.00 0.72 H new ATOM 0 HD11 ILE A 110 28.515 -15.122 -12.047 1.00 0.74 H new ATOM 0 HD12 ILE A 110 29.315 -15.532 -13.584 1.00 0.74 H new ATOM 0 HD13 ILE A 110 29.653 -16.488 -12.122 1.00 0.74 H new ATOM 1711 N PRO A 111 34.309 -15.892 -10.025 1.00 0.70 N ATOM 1712 CA PRO A 111 35.021 -15.307 -8.903 1.00 0.78 C ATOM 1713 C PRO A 111 36.241 -14.515 -9.362 1.00 0.79 C ATOM 1714 O PRO A 111 36.281 -14.007 -10.485 1.00 1.58 O ATOM 1715 CB PRO A 111 35.442 -16.542 -8.097 1.00 1.10 C ATOM 1716 CG PRO A 111 35.392 -17.704 -9.050 1.00 1.22 C ATOM 1717 CD PRO A 111 34.870 -17.197 -10.370 1.00 0.89 C ATOM 0 HA PRO A 111 34.418 -14.596 -8.337 1.00 0.78 H new ATOM 0 HB2 PRO A 111 36.445 -16.417 -7.689 1.00 1.10 H new ATOM 0 HB3 PRO A 111 34.772 -16.702 -7.253 1.00 1.10 H new ATOM 0 HG2 PRO A 111 36.384 -18.139 -9.173 1.00 1.22 H new ATOM 0 HG3 PRO A 111 34.745 -18.490 -8.660 1.00 1.22 H new ATOM 0 HD2 PRO A 111 35.664 -17.111 -11.111 1.00 0.89 H new ATOM 0 HD3 PRO A 111 34.115 -17.863 -10.788 1.00 0.89 H new ATOM 1725 N GLY A 112 37.233 -14.402 -8.492 1.00 0.95 N ATOM 1726 CA GLY A 112 38.451 -13.717 -8.854 1.00 1.02 C ATOM 1727 C GLY A 112 38.613 -12.418 -8.102 1.00 1.09 C ATOM 1728 O GLY A 112 38.557 -12.392 -6.874 1.00 2.05 O ATOM 0 H GLY A 112 37.214 -14.773 -7.542 1.00 0.95 H new ATOM 0 HA2 GLY A 112 39.305 -14.363 -8.650 1.00 1.02 H new ATOM 0 HA3 GLY A 112 38.451 -13.518 -9.926 1.00 1.02 H new ATOM 1732 N ASN A 113 38.798 -11.337 -8.840 1.00 0.74 N ATOM 1733 CA ASN A 113 38.969 -10.022 -8.240 1.00 0.84 C ATOM 1734 C ASN A 113 37.693 -9.211 -8.429 1.00 0.75 C ATOM 1735 O ASN A 113 37.599 -8.052 -8.024 1.00 1.00 O ATOM 1736 CB ASN A 113 40.162 -9.301 -8.883 1.00 1.00 C ATOM 1737 CG ASN A 113 40.627 -8.094 -8.086 1.00 1.49 C ATOM 1738 OD1 ASN A 113 40.595 -8.201 -6.764 1.00 2.03 O flip ATOM 1739 ND2 ASN A 113 41.044 -7.083 -8.652 1.00 1.79 N flip ATOM 0 H ASN A 113 38.834 -11.343 -9.859 1.00 0.74 H new ATOM 0 HA ASN A 113 39.167 -10.132 -7.174 1.00 0.84 H new ATOM 0 HB2 ASN A 113 40.990 -10.002 -8.986 1.00 1.00 H new ATOM 0 HB3 ASN A 113 39.887 -8.982 -9.888 1.00 1.00 H new ATOM 0 HD21 ASN A 113 41.054 -7.036 -9.671 1.00 1.79 H new ATOM 0 HD22 ASN A 113 41.380 -6.292 -8.102 1.00 1.79 H new ATOM 1746 N SER A 114 36.708 -9.841 -9.054 1.00 0.57 N ATOM 1747 CA SER A 114 35.429 -9.208 -9.323 1.00 0.58 C ATOM 1748 C SER A 114 34.549 -9.218 -8.072 1.00 0.50 C ATOM 1749 O SER A 114 34.690 -10.084 -7.208 1.00 0.59 O ATOM 1750 CB SER A 114 34.727 -9.945 -10.464 1.00 0.65 C ATOM 1751 OG SER A 114 35.570 -10.046 -11.602 1.00 1.14 O ATOM 0 H SER A 114 36.775 -10.803 -9.387 1.00 0.57 H new ATOM 0 HA SER A 114 35.601 -8.171 -9.611 1.00 0.58 H new ATOM 0 HB2 SER A 114 34.437 -10.942 -10.133 1.00 0.65 H new ATOM 0 HB3 SER A 114 33.811 -9.419 -10.732 1.00 0.65 H new ATOM 0 HG SER A 114 35.099 -10.523 -12.317 1.00 1.14 H new ATOM 1757 N VAL A 115 33.661 -8.238 -7.973 1.00 0.44 N ATOM 1758 CA VAL A 115 32.728 -8.157 -6.857 1.00 0.38 C ATOM 1759 C VAL A 115 31.433 -8.908 -7.179 1.00 0.31 C ATOM 1760 O VAL A 115 30.894 -8.801 -8.283 1.00 0.31 O ATOM 1761 CB VAL A 115 32.422 -6.685 -6.493 1.00 0.44 C ATOM 1762 CG1 VAL A 115 31.905 -5.911 -7.698 1.00 0.48 C ATOM 1763 CG2 VAL A 115 31.432 -6.602 -5.340 1.00 0.42 C ATOM 0 H VAL A 115 33.567 -7.485 -8.655 1.00 0.44 H new ATOM 0 HA VAL A 115 33.197 -8.629 -5.994 1.00 0.38 H new ATOM 0 HB VAL A 115 33.358 -6.226 -6.175 1.00 0.44 H new ATOM 0 HG11 VAL A 115 31.700 -4.881 -7.408 1.00 0.48 H new ATOM 0 HG12 VAL A 115 32.656 -5.923 -8.488 1.00 0.48 H new ATOM 0 HG13 VAL A 115 30.988 -6.375 -8.062 1.00 0.48 H new ATOM 0 HG21 VAL A 115 31.235 -5.556 -5.105 1.00 0.42 H new ATOM 0 HG22 VAL A 115 30.501 -7.092 -5.624 1.00 0.42 H new ATOM 0 HG23 VAL A 115 31.851 -7.098 -4.464 1.00 0.42 H new ATOM 1773 N LEU A 116 30.952 -9.694 -6.227 1.00 0.28 N ATOM 1774 CA LEU A 116 29.733 -10.463 -6.426 1.00 0.25 C ATOM 1775 C LEU A 116 28.731 -10.198 -5.307 1.00 0.28 C ATOM 1776 O LEU A 116 29.079 -9.624 -4.271 1.00 0.37 O ATOM 1777 CB LEU A 116 30.012 -11.978 -6.478 1.00 0.30 C ATOM 1778 CG LEU A 116 30.825 -12.506 -7.669 1.00 0.33 C ATOM 1779 CD1 LEU A 116 32.308 -12.258 -7.460 1.00 0.51 C ATOM 1780 CD2 LEU A 116 30.564 -13.992 -7.867 1.00 0.50 C ATOM 0 H LEU A 116 31.386 -9.816 -5.312 1.00 0.28 H new ATOM 0 HA LEU A 116 29.319 -10.142 -7.382 1.00 0.25 H new ATOM 0 HB2 LEU A 116 30.535 -12.256 -5.563 1.00 0.30 H new ATOM 0 HB3 LEU A 116 29.054 -12.498 -6.467 1.00 0.30 H new ATOM 0 HG LEU A 116 30.510 -11.970 -8.564 1.00 0.33 H new ATOM 0 HD11 LEU A 116 32.865 -12.640 -8.316 1.00 0.51 H new ATOM 0 HD12 LEU A 116 32.487 -11.188 -7.359 1.00 0.51 H new ATOM 0 HD13 LEU A 116 32.638 -12.768 -6.555 1.00 0.51 H new ATOM 0 HD21 LEU A 116 31.146 -14.354 -8.714 1.00 0.50 H new ATOM 0 HD22 LEU A 116 30.855 -14.535 -6.968 1.00 0.50 H new ATOM 0 HD23 LEU A 116 29.503 -14.153 -8.061 1.00 0.50 H new ATOM 1792 N LEU A 117 27.492 -10.632 -5.522 1.00 0.31 N ATOM 1793 CA LEU A 117 26.454 -10.551 -4.502 1.00 0.38 C ATOM 1794 C LEU A 117 26.000 -11.955 -4.139 1.00 0.31 C ATOM 1795 O LEU A 117 25.437 -12.664 -4.972 1.00 0.38 O ATOM 1796 CB LEU A 117 25.230 -9.757 -4.984 1.00 0.61 C ATOM 1797 CG LEU A 117 25.520 -8.502 -5.796 1.00 0.38 C ATOM 1798 CD1 LEU A 117 25.601 -8.835 -7.269 1.00 0.70 C ATOM 1799 CD2 LEU A 117 24.458 -7.450 -5.557 1.00 0.59 C ATOM 0 H LEU A 117 27.182 -11.046 -6.401 1.00 0.31 H new ATOM 0 HA LEU A 117 26.880 -10.036 -3.641 1.00 0.38 H new ATOM 0 HB2 LEU A 117 24.608 -10.419 -5.587 1.00 0.61 H new ATOM 0 HB3 LEU A 117 24.641 -9.472 -4.112 1.00 0.61 H new ATOM 0 HG LEU A 117 26.481 -8.102 -5.472 1.00 0.38 H new ATOM 0 HD11 LEU A 117 25.809 -7.928 -7.836 1.00 0.70 H new ATOM 0 HD12 LEU A 117 26.400 -9.558 -7.435 1.00 0.70 H new ATOM 0 HD13 LEU A 117 24.653 -9.260 -7.599 1.00 0.70 H new ATOM 0 HD21 LEU A 117 24.686 -6.562 -6.147 1.00 0.59 H new ATOM 0 HD22 LEU A 117 23.485 -7.842 -5.852 1.00 0.59 H new ATOM 0 HD23 LEU A 117 24.438 -7.187 -4.499 1.00 0.59 H new ATOM 1811 N PHE A 118 26.254 -12.362 -2.908 1.00 0.30 N ATOM 1812 CA PHE A 118 25.813 -13.671 -2.446 1.00 0.34 C ATOM 1813 C PHE A 118 24.749 -13.531 -1.369 1.00 0.34 C ATOM 1814 O PHE A 118 24.974 -12.887 -0.343 1.00 0.37 O ATOM 1815 CB PHE A 118 26.984 -14.497 -1.900 1.00 0.43 C ATOM 1816 CG PHE A 118 27.976 -14.937 -2.943 1.00 0.37 C ATOM 1817 CD1 PHE A 118 27.551 -15.475 -4.148 1.00 0.39 C ATOM 1818 CD2 PHE A 118 29.339 -14.828 -2.708 1.00 0.38 C ATOM 1819 CE1 PHE A 118 28.466 -15.893 -5.094 1.00 0.38 C ATOM 1820 CE2 PHE A 118 30.258 -15.244 -3.652 1.00 0.40 C ATOM 1821 CZ PHE A 118 29.820 -15.777 -4.848 1.00 0.38 C ATOM 0 H PHE A 118 26.759 -11.812 -2.213 1.00 0.30 H new ATOM 0 HA PHE A 118 25.391 -14.191 -3.306 1.00 0.34 H new ATOM 0 HB2 PHE A 118 27.506 -13.909 -1.145 1.00 0.43 H new ATOM 0 HB3 PHE A 118 26.587 -15.380 -1.399 1.00 0.43 H new ATOM 0 HD1 PHE A 118 26.494 -15.568 -4.349 1.00 0.39 H new ATOM 0 HD2 PHE A 118 29.687 -14.412 -1.774 1.00 0.38 H new ATOM 0 HE1 PHE A 118 28.122 -16.312 -6.028 1.00 0.38 H new ATOM 0 HE2 PHE A 118 31.316 -15.153 -3.455 1.00 0.40 H new ATOM 0 HZ PHE A 118 30.535 -16.102 -5.589 1.00 0.38 H new ATOM 1831 N GLU A 119 23.586 -14.112 -1.616 1.00 0.33 N ATOM 1832 CA GLU A 119 22.563 -14.200 -0.593 1.00 0.37 C ATOM 1833 C GLU A 119 22.809 -15.439 0.246 1.00 0.34 C ATOM 1834 O GLU A 119 22.996 -16.534 -0.290 1.00 0.47 O ATOM 1835 CB GLU A 119 21.163 -14.258 -1.199 1.00 0.56 C ATOM 1836 CG GLU A 119 20.796 -13.037 -2.020 1.00 0.82 C ATOM 1837 CD GLU A 119 19.311 -12.955 -2.296 1.00 1.18 C ATOM 1838 OE1 GLU A 119 18.829 -13.687 -3.186 1.00 1.43 O ATOM 1839 OE2 GLU A 119 18.626 -12.135 -1.651 1.00 1.46 O ATOM 0 H GLU A 119 23.330 -14.527 -2.512 1.00 0.33 H new ATOM 0 HA GLU A 119 22.618 -13.305 0.026 1.00 0.37 H new ATOM 0 HB2 GLU A 119 21.088 -15.144 -1.830 1.00 0.56 H new ATOM 0 HB3 GLU A 119 20.435 -14.376 -0.396 1.00 0.56 H new ATOM 0 HG2 GLU A 119 21.115 -12.138 -1.493 1.00 0.82 H new ATOM 0 HG3 GLU A 119 21.338 -13.061 -2.965 1.00 0.82 H new ATOM 1846 N ILE A 120 22.812 -15.261 1.553 1.00 0.29 N ATOM 1847 CA ILE A 120 23.159 -16.340 2.459 1.00 0.31 C ATOM 1848 C ILE A 120 21.961 -16.770 3.302 1.00 0.31 C ATOM 1849 O ILE A 120 21.296 -15.946 3.933 1.00 0.33 O ATOM 1850 CB ILE A 120 24.344 -15.933 3.362 1.00 0.34 C ATOM 1851 CG1 ILE A 120 25.601 -15.757 2.501 1.00 0.33 C ATOM 1852 CG2 ILE A 120 24.576 -16.955 4.465 1.00 0.48 C ATOM 1853 CD1 ILE A 120 26.822 -15.311 3.275 1.00 0.39 C ATOM 0 H ILE A 120 22.578 -14.380 2.011 1.00 0.29 H new ATOM 0 HA ILE A 120 23.461 -17.195 1.855 1.00 0.31 H new ATOM 0 HB ILE A 120 24.108 -14.986 3.848 1.00 0.34 H new ATOM 0 HG12 ILE A 120 25.824 -16.702 2.005 1.00 0.33 H new ATOM 0 HG13 ILE A 120 25.393 -15.027 1.719 1.00 0.33 H new ATOM 0 HG21 ILE A 120 25.417 -16.639 5.083 1.00 0.48 H new ATOM 0 HG22 ILE A 120 23.681 -17.033 5.082 1.00 0.48 H new ATOM 0 HG23 ILE A 120 24.797 -17.926 4.021 1.00 0.48 H new ATOM 0 HD11 ILE A 120 27.667 -15.210 2.594 1.00 0.39 H new ATOM 0 HD12 ILE A 120 26.621 -14.350 3.749 1.00 0.39 H new ATOM 0 HD13 ILE A 120 27.058 -16.051 4.040 1.00 0.39 H new ATOM 1865 N GLU A 121 21.685 -18.068 3.281 1.00 0.36 N ATOM 1866 CA GLU A 121 20.562 -18.638 4.017 1.00 0.40 C ATOM 1867 C GLU A 121 21.053 -19.595 5.100 1.00 0.35 C ATOM 1868 O GLU A 121 21.647 -20.632 4.797 1.00 0.40 O ATOM 1869 CB GLU A 121 19.634 -19.400 3.066 1.00 0.60 C ATOM 1870 CG GLU A 121 18.493 -20.122 3.775 1.00 1.06 C ATOM 1871 CD GLU A 121 18.034 -21.358 3.026 1.00 1.43 C ATOM 1872 OE1 GLU A 121 18.841 -22.297 2.850 1.00 1.67 O ATOM 1873 OE2 GLU A 121 16.859 -21.397 2.609 1.00 1.88 O ATOM 0 H GLU A 121 22.230 -18.753 2.756 1.00 0.36 H new ATOM 0 HA GLU A 121 20.018 -17.816 4.483 1.00 0.40 H new ATOM 0 HB2 GLU A 121 19.216 -18.701 2.342 1.00 0.60 H new ATOM 0 HB3 GLU A 121 20.220 -20.128 2.505 1.00 0.60 H new ATOM 0 HG2 GLU A 121 18.814 -20.407 4.777 1.00 1.06 H new ATOM 0 HG3 GLU A 121 17.652 -19.439 3.892 1.00 1.06 H new ATOM 1880 N LEU A 122 20.807 -19.243 6.354 1.00 0.33 N ATOM 1881 CA LEU A 122 21.104 -20.130 7.471 1.00 0.33 C ATOM 1882 C LEU A 122 19.871 -20.975 7.771 1.00 0.38 C ATOM 1883 O LEU A 122 18.910 -20.497 8.374 1.00 0.54 O ATOM 1884 CB LEU A 122 21.522 -19.311 8.707 1.00 0.38 C ATOM 1885 CG LEU A 122 22.209 -20.085 9.850 1.00 0.43 C ATOM 1886 CD1 LEU A 122 22.841 -19.112 10.830 1.00 0.80 C ATOM 1887 CD2 LEU A 122 21.226 -20.986 10.583 1.00 1.12 C ATOM 0 H LEU A 122 20.401 -18.347 6.624 1.00 0.33 H new ATOM 0 HA LEU A 122 21.934 -20.787 7.211 1.00 0.33 H new ATOM 0 HB2 LEU A 122 22.196 -18.520 8.379 1.00 0.38 H new ATOM 0 HB3 LEU A 122 20.633 -18.826 9.110 1.00 0.38 H new ATOM 0 HG LEU A 122 22.982 -20.715 9.409 1.00 0.43 H new ATOM 0 HD11 LEU A 122 23.324 -19.667 11.634 1.00 0.80 H new ATOM 0 HD12 LEU A 122 23.583 -18.504 10.312 1.00 0.80 H new ATOM 0 HD13 LEU A 122 22.070 -18.465 11.248 1.00 0.80 H new ATOM 0 HD21 LEU A 122 21.744 -21.516 11.382 1.00 1.12 H new ATOM 0 HD22 LEU A 122 20.426 -20.381 11.009 1.00 1.12 H new ATOM 0 HD23 LEU A 122 20.803 -21.707 9.884 1.00 1.12 H new ATOM 1899 N LEU A 123 19.889 -22.226 7.333 1.00 0.39 N ATOM 1900 CA LEU A 123 18.740 -23.104 7.518 1.00 0.47 C ATOM 1901 C LEU A 123 18.925 -24.005 8.735 1.00 0.47 C ATOM 1902 O LEU A 123 17.964 -24.315 9.436 1.00 0.59 O ATOM 1903 CB LEU A 123 18.463 -23.963 6.272 1.00 0.55 C ATOM 1904 CG LEU A 123 19.550 -24.979 5.888 1.00 0.58 C ATOM 1905 CD1 LEU A 123 18.921 -26.181 5.200 1.00 1.00 C ATOM 1906 CD2 LEU A 123 20.587 -24.353 4.970 1.00 0.77 C ATOM 0 H LEU A 123 20.679 -22.654 6.851 1.00 0.39 H new ATOM 0 HA LEU A 123 17.878 -22.458 7.682 1.00 0.47 H new ATOM 0 HB2 LEU A 123 17.530 -24.504 6.430 1.00 0.55 H new ATOM 0 HB3 LEU A 123 18.305 -23.295 5.425 1.00 0.55 H new ATOM 0 HG LEU A 123 20.048 -25.300 6.803 1.00 0.58 H new ATOM 0 HD11 LEU A 123 19.699 -26.895 4.932 1.00 1.00 H new ATOM 0 HD12 LEU A 123 18.210 -26.656 5.876 1.00 1.00 H new ATOM 0 HD13 LEU A 123 18.402 -25.854 4.299 1.00 1.00 H new ATOM 0 HD21 LEU A 123 21.343 -25.096 4.715 1.00 0.77 H new ATOM 0 HD22 LEU A 123 20.102 -24.002 4.059 1.00 0.77 H new ATOM 0 HD23 LEU A 123 21.061 -23.512 5.476 1.00 0.77 H new ATOM 1918 N SER A 124 20.160 -24.411 8.991 1.00 0.44 N ATOM 1919 CA SER A 124 20.435 -25.336 10.076 1.00 0.47 C ATOM 1920 C SER A 124 21.794 -25.044 10.704 1.00 0.43 C ATOM 1921 O SER A 124 22.740 -24.660 10.010 1.00 0.48 O ATOM 1922 CB SER A 124 20.386 -26.778 9.560 1.00 0.63 C ATOM 1923 OG SER A 124 20.631 -27.711 10.600 1.00 1.19 O ATOM 0 H SER A 124 20.982 -24.115 8.465 1.00 0.44 H new ATOM 0 HA SER A 124 19.671 -25.208 10.843 1.00 0.47 H new ATOM 0 HB2 SER A 124 19.410 -26.974 9.117 1.00 0.63 H new ATOM 0 HB3 SER A 124 21.126 -26.908 8.771 1.00 0.63 H new ATOM 0 HG SER A 124 20.591 -28.621 10.239 1.00 1.19 H new ATOM 1929 N PHE A 125 21.878 -25.220 12.019 1.00 0.39 N ATOM 1930 CA PHE A 125 23.119 -25.028 12.754 1.00 0.43 C ATOM 1931 C PHE A 125 22.998 -25.641 14.144 1.00 0.46 C ATOM 1932 O PHE A 125 21.910 -25.692 14.721 1.00 0.46 O ATOM 1933 CB PHE A 125 23.498 -23.538 12.848 1.00 0.46 C ATOM 1934 CG PHE A 125 22.602 -22.692 13.711 1.00 0.46 C ATOM 1935 CD1 PHE A 125 21.224 -22.806 13.641 1.00 0.44 C ATOM 1936 CD2 PHE A 125 23.147 -21.761 14.580 1.00 0.62 C ATOM 1937 CE1 PHE A 125 20.408 -22.011 14.421 1.00 0.54 C ATOM 1938 CE2 PHE A 125 22.338 -20.963 15.364 1.00 0.72 C ATOM 1939 CZ PHE A 125 20.966 -21.088 15.284 1.00 0.67 C ATOM 0 H PHE A 125 21.089 -25.499 12.602 1.00 0.39 H new ATOM 0 HA PHE A 125 23.917 -25.532 12.209 1.00 0.43 H new ATOM 0 HB2 PHE A 125 24.516 -23.464 13.230 1.00 0.46 H new ATOM 0 HB3 PHE A 125 23.504 -23.119 11.842 1.00 0.46 H new ATOM 0 HD1 PHE A 125 20.782 -23.526 12.968 1.00 0.44 H new ATOM 0 HD2 PHE A 125 24.220 -21.658 14.645 1.00 0.62 H new ATOM 0 HE1 PHE A 125 19.335 -22.111 14.356 1.00 0.54 H new ATOM 0 HE2 PHE A 125 22.778 -20.243 16.038 1.00 0.72 H new ATOM 0 HZ PHE A 125 20.330 -20.465 15.895 1.00 0.67 H new ATOM 1949 N ARG A 126 24.112 -26.126 14.662 1.00 0.60 N ATOM 1950 CA ARG A 126 24.139 -26.758 15.972 1.00 0.71 C ATOM 1951 C ARG A 126 25.217 -26.120 16.835 1.00 0.76 C ATOM 1952 O ARG A 126 26.363 -25.969 16.407 1.00 0.90 O ATOM 1953 CB ARG A 126 24.370 -28.265 15.826 1.00 0.83 C ATOM 1954 CG ARG A 126 25.439 -28.605 14.807 1.00 0.85 C ATOM 1955 CD ARG A 126 25.578 -30.104 14.608 1.00 1.12 C ATOM 1956 NE ARG A 126 24.334 -30.706 14.131 1.00 1.57 N ATOM 1957 CZ ARG A 126 24.058 -30.951 12.853 1.00 2.14 C ATOM 1958 NH1 ARG A 126 24.943 -30.661 11.905 1.00 2.47 N ATOM 1959 NH2 ARG A 126 22.896 -31.497 12.534 1.00 2.98 N ATOM 0 H ARG A 126 25.017 -26.094 14.193 1.00 0.60 H new ATOM 0 HA ARG A 126 23.177 -26.609 16.462 1.00 0.71 H new ATOM 0 HB2 ARG A 126 24.654 -28.679 16.794 1.00 0.83 H new ATOM 0 HB3 ARG A 126 23.435 -28.744 15.536 1.00 0.83 H new ATOM 0 HG2 ARG A 126 25.195 -28.134 13.855 1.00 0.85 H new ATOM 0 HG3 ARG A 126 26.394 -28.192 15.132 1.00 0.85 H new ATOM 0 HD2 ARG A 126 26.376 -30.303 13.893 1.00 1.12 H new ATOM 0 HD3 ARG A 126 25.870 -30.570 15.549 1.00 1.12 H new ATOM 0 HE ARG A 126 23.630 -30.955 14.826 1.00 1.57 H new ATOM 0 HH11 ARG A 126 25.841 -30.248 12.155 1.00 2.47 H new ATOM 0 HH12 ARG A 126 24.724 -30.852 10.927 1.00 2.47 H new ATOM 0 HH21 ARG A 126 22.222 -31.726 13.265 1.00 2.98 H new ATOM 0 HH22 ARG A 126 22.674 -31.689 11.557 1.00 2.98 H new ATOM 1973 N GLU A 127 24.836 -25.730 18.039 1.00 0.82 N ATOM 1974 CA GLU A 127 25.730 -25.007 18.927 1.00 0.88 C ATOM 1975 C GLU A 127 26.408 -25.956 19.909 1.00 1.01 C ATOM 1976 O GLU A 127 25.753 -26.832 20.479 1.00 1.11 O ATOM 1977 CB GLU A 127 24.950 -23.943 19.699 1.00 1.10 C ATOM 1978 CG GLU A 127 24.169 -22.990 18.810 1.00 1.68 C ATOM 1979 CD GLU A 127 23.153 -22.177 19.587 1.00 2.69 C ATOM 1980 OE1 GLU A 127 22.248 -22.792 20.202 1.00 3.18 O ATOM 1981 OE2 GLU A 127 23.252 -20.934 19.590 1.00 3.38 O ATOM 0 H GLU A 127 23.908 -25.903 18.426 1.00 0.82 H new ATOM 0 HA GLU A 127 26.499 -24.528 18.320 1.00 0.88 H new ATOM 0 HB2 GLU A 127 24.259 -24.437 20.382 1.00 1.10 H new ATOM 0 HB3 GLU A 127 25.646 -23.368 20.310 1.00 1.10 H new ATOM 0 HG2 GLU A 127 24.862 -22.316 18.307 1.00 1.68 H new ATOM 0 HG3 GLU A 127 23.658 -23.559 18.033 1.00 1.68 H new ATOM 1988 N LEU A 128 27.719 -25.769 20.076 1.00 1.18 N ATOM 1989 CA LEU A 128 28.523 -26.503 21.057 1.00 1.39 C ATOM 1990 C LEU A 128 28.794 -27.939 20.614 1.00 1.83 C ATOM 1991 O LEU A 128 27.914 -28.798 20.656 1.00 2.41 O ATOM 1992 CB LEU A 128 27.864 -26.486 22.442 1.00 1.95 C ATOM 1993 CG LEU A 128 28.659 -27.176 23.550 1.00 2.44 C ATOM 1994 CD1 LEU A 128 29.992 -26.479 23.772 1.00 2.79 C ATOM 1995 CD2 LEU A 128 27.850 -27.210 24.837 1.00 3.35 C ATOM 0 H LEU A 128 28.258 -25.098 19.529 1.00 1.18 H new ATOM 0 HA LEU A 128 29.482 -25.990 21.125 1.00 1.39 H new ATOM 0 HB2 LEU A 128 27.692 -25.449 22.732 1.00 1.95 H new ATOM 0 HB3 LEU A 128 26.887 -26.963 22.367 1.00 1.95 H new ATOM 0 HG LEU A 128 28.862 -28.201 23.241 1.00 2.44 H new ATOM 0 HD11 LEU A 128 30.541 -26.987 24.565 1.00 2.79 H new ATOM 0 HD12 LEU A 128 30.575 -26.507 22.852 1.00 2.79 H new ATOM 0 HD13 LEU A 128 29.817 -25.442 24.059 1.00 2.79 H new ATOM 0 HD21 LEU A 128 28.429 -27.704 25.617 1.00 3.35 H new ATOM 0 HD22 LEU A 128 27.617 -26.191 25.148 1.00 3.35 H new ATOM 0 HD23 LEU A 128 26.923 -27.759 24.670 1.00 3.35 H new ATOM 2007 N GLU A 129 30.025 -28.173 20.178 1.00 2.29 N ATOM 2008 CA GLU A 129 30.485 -29.506 19.816 1.00 3.05 C ATOM 2009 C GLU A 129 31.756 -29.833 20.602 1.00 3.49 C ATOM 2010 O GLU A 129 32.478 -28.923 21.025 1.00 3.72 O ATOM 2011 CB GLU A 129 30.732 -29.592 18.298 1.00 3.72 C ATOM 2012 CG GLU A 129 31.332 -30.910 17.818 1.00 4.36 C ATOM 2013 CD GLU A 129 30.436 -32.109 18.068 1.00 4.88 C ATOM 2014 OE1 GLU A 129 30.362 -32.573 19.227 1.00 5.04 O ATOM 2015 OE2 GLU A 129 29.780 -32.580 17.111 1.00 5.39 O ATOM 0 H GLU A 129 30.731 -27.445 20.066 1.00 2.29 H new ATOM 0 HA GLU A 129 29.719 -30.239 20.069 1.00 3.05 H new ATOM 0 HB2 GLU A 129 29.786 -29.431 17.781 1.00 3.72 H new ATOM 0 HB3 GLU A 129 31.397 -28.779 18.006 1.00 3.72 H new ATOM 0 HG2 GLU A 129 31.540 -30.838 16.750 1.00 4.36 H new ATOM 0 HG3 GLU A 129 32.287 -31.069 18.319 1.00 4.36 H new ATOM 2022 N HIS A 130 32.003 -31.134 20.792 1.00 4.02 N ATOM 2023 CA HIS A 130 33.157 -31.639 21.543 1.00 4.65 C ATOM 2024 C HIS A 130 32.975 -31.457 23.046 1.00 4.79 C ATOM 2025 O HIS A 130 32.016 -30.833 23.497 1.00 5.17 O ATOM 2026 CB HIS A 130 34.469 -30.984 21.093 1.00 5.23 C ATOM 2027 CG HIS A 130 35.013 -31.529 19.810 1.00 5.76 C ATOM 2028 ND1 HIS A 130 35.295 -30.748 18.708 1.00 6.35 N ATOM 2029 CD2 HIS A 130 35.358 -32.790 19.469 1.00 6.21 C ATOM 2030 CE1 HIS A 130 35.789 -31.503 17.749 1.00 7.04 C ATOM 2031 NE2 HIS A 130 35.839 -32.746 18.185 1.00 6.98 N ATOM 0 H HIS A 130 31.402 -31.872 20.425 1.00 4.02 H new ATOM 0 HA HIS A 130 33.218 -32.706 21.327 1.00 4.65 H new ATOM 0 HB2 HIS A 130 34.308 -29.912 20.981 1.00 5.23 H new ATOM 0 HB3 HIS A 130 35.215 -31.114 21.877 1.00 5.23 H new ATOM 0 HD2 HIS A 130 35.271 -33.669 20.091 1.00 6.21 H new ATOM 0 HE1 HIS A 130 36.100 -31.162 16.772 1.00 7.04 H new ATOM 0 HE2 HIS A 130 36.180 -33.547 17.653 1.00 6.98 H new ATOM 2040 N HIS A 131 33.907 -32.035 23.803 1.00 4.87 N ATOM 2041 CA HIS A 131 33.905 -31.989 25.265 1.00 5.24 C ATOM 2042 C HIS A 131 32.562 -32.439 25.835 1.00 5.58 C ATOM 2043 O HIS A 131 31.796 -31.637 26.371 1.00 5.71 O ATOM 2044 CB HIS A 131 34.262 -30.592 25.780 1.00 5.62 C ATOM 2045 CG HIS A 131 34.810 -30.597 27.175 1.00 6.06 C ATOM 2046 ND1 HIS A 131 36.032 -30.055 27.501 1.00 6.53 N ATOM 2047 CD2 HIS A 131 34.305 -31.098 28.327 1.00 6.53 C ATOM 2048 CE1 HIS A 131 36.257 -30.227 28.791 1.00 7.20 C ATOM 2049 NE2 HIS A 131 35.224 -30.860 29.319 1.00 7.21 N ATOM 0 H HIS A 131 34.694 -32.554 23.414 1.00 4.87 H new ATOM 0 HA HIS A 131 34.670 -32.685 25.609 1.00 5.24 H new ATOM 0 HB2 HIS A 131 34.995 -30.142 25.111 1.00 5.62 H new ATOM 0 HB3 HIS A 131 33.373 -29.962 25.749 1.00 5.62 H new ATOM 0 HD2 HIS A 131 33.353 -31.594 28.444 1.00 6.53 H new ATOM 0 HE1 HIS A 131 37.138 -29.904 29.325 1.00 7.20 H new ATOM 0 HE2 HIS A 131 35.126 -31.127 30.299 1.00 7.21 H new ATOM 2058 N HIS A 132 32.281 -33.722 25.707 1.00 6.07 N ATOM 2059 CA HIS A 132 31.053 -34.298 26.237 1.00 6.73 C ATOM 2060 C HIS A 132 31.376 -35.514 27.091 1.00 7.16 C ATOM 2061 O HIS A 132 32.530 -35.936 27.162 1.00 7.46 O ATOM 2062 CB HIS A 132 30.089 -34.678 25.109 1.00 7.36 C ATOM 2063 CG HIS A 132 29.406 -33.505 24.472 1.00 7.90 C ATOM 2064 ND1 HIS A 132 29.533 -33.187 23.140 1.00 8.29 N ATOM 2065 CD2 HIS A 132 28.567 -32.580 24.996 1.00 8.39 C ATOM 2066 CE1 HIS A 132 28.804 -32.121 22.869 1.00 8.95 C ATOM 2067 NE2 HIS A 132 28.204 -31.733 23.979 1.00 9.02 N ATOM 0 H HIS A 132 32.890 -34.392 25.237 1.00 6.07 H new ATOM 0 HA HIS A 132 30.562 -33.548 26.857 1.00 6.73 H new ATOM 0 HB2 HIS A 132 30.639 -35.225 24.343 1.00 7.36 H new ATOM 0 HB3 HIS A 132 29.332 -35.356 25.504 1.00 7.36 H new ATOM 0 HD2 HIS A 132 28.243 -32.520 26.025 1.00 8.39 H new ATOM 0 HE1 HIS A 132 28.714 -31.647 21.903 1.00 8.95 H new ATOM 0 HE2 HIS A 132 27.574 -30.935 24.066 1.00 9.02 H new ATOM 2076 N HIS A 133 30.359 -36.071 27.737 1.00 7.47 N ATOM 2077 CA HIS A 133 30.552 -37.217 28.614 1.00 8.09 C ATOM 2078 C HIS A 133 30.618 -38.509 27.808 1.00 8.82 C ATOM 2079 O HIS A 133 30.350 -38.508 26.607 1.00 9.23 O ATOM 2080 CB HIS A 133 29.428 -37.299 29.653 1.00 8.42 C ATOM 2081 CG HIS A 133 29.926 -37.271 31.065 1.00 8.83 C ATOM 2082 ND1 HIS A 133 29.434 -36.415 32.021 1.00 9.20 N ATOM 2083 CD2 HIS A 133 30.876 -38.012 31.682 1.00 9.20 C ATOM 2084 CE1 HIS A 133 30.058 -36.626 33.164 1.00 9.73 C ATOM 2085 NE2 HIS A 133 30.938 -37.592 32.984 1.00 9.75 N ATOM 0 H HIS A 133 29.394 -35.748 27.670 1.00 7.47 H new ATOM 0 HA HIS A 133 31.500 -37.086 29.136 1.00 8.09 H new ATOM 0 HB2 HIS A 133 28.740 -36.467 29.501 1.00 8.42 H new ATOM 0 HB3 HIS A 133 28.860 -38.216 29.493 1.00 8.42 H new ATOM 0 HD2 HIS A 133 31.474 -38.790 31.231 1.00 9.20 H new ATOM 0 HE1 HIS A 133 29.879 -36.098 34.089 1.00 9.73 H new ATOM 0 HE2 HIS A 133 31.563 -37.965 33.698 1.00 9.75 H new ATOM 2094 N HIS A 134 30.976 -39.602 28.485 1.00 9.17 N ATOM 2095 CA HIS A 134 31.165 -40.905 27.841 1.00 10.02 C ATOM 2096 C HIS A 134 32.344 -40.863 26.879 1.00 10.42 C ATOM 2097 O HIS A 134 32.413 -41.634 25.920 1.00 10.82 O ATOM 2098 CB HIS A 134 29.891 -41.364 27.120 1.00 10.46 C ATOM 2099 CG HIS A 134 28.776 -41.743 28.047 1.00 11.09 C ATOM 2100 ND1 HIS A 134 27.565 -41.088 28.080 1.00 11.60 N ATOM 2101 CD2 HIS A 134 28.695 -42.720 28.980 1.00 11.51 C ATOM 2102 CE1 HIS A 134 26.790 -41.644 28.991 1.00 12.26 C ATOM 2103 NE2 HIS A 134 27.449 -42.642 29.548 1.00 12.22 N ATOM 0 H HIS A 134 31.143 -39.610 29.491 1.00 9.17 H new ATOM 0 HA HIS A 134 31.383 -41.633 28.622 1.00 10.02 H new ATOM 0 HB2 HIS A 134 29.549 -40.565 26.462 1.00 10.46 H new ATOM 0 HB3 HIS A 134 30.131 -42.218 26.486 1.00 10.46 H new ATOM 0 HD2 HIS A 134 29.469 -43.430 29.231 1.00 11.51 H new ATOM 0 HE1 HIS A 134 25.785 -41.335 29.239 1.00 12.26 H new ATOM 0 HE2 HIS A 134 27.091 -43.255 30.281 1.00 12.22 H new ATOM 2112 N HIS A 135 33.282 -39.973 27.160 1.00 10.51 N ATOM 2113 CA HIS A 135 34.488 -39.852 26.365 1.00 11.06 C ATOM 2114 C HIS A 135 35.689 -40.269 27.203 1.00 11.14 C ATOM 2115 O HIS A 135 36.296 -39.394 27.854 1.00 11.30 O ATOM 2116 CB HIS A 135 34.654 -38.414 25.859 1.00 11.78 C ATOM 2117 CG HIS A 135 35.846 -38.214 24.971 1.00 12.27 C ATOM 2118 ND1 HIS A 135 35.850 -38.525 23.631 1.00 12.92 N ATOM 2119 CD2 HIS A 135 37.080 -37.727 25.242 1.00 12.37 C ATOM 2120 CE1 HIS A 135 37.029 -38.241 23.118 1.00 13.35 C ATOM 2121 NE2 HIS A 135 37.798 -37.755 24.074 1.00 13.03 N ATOM 2122 OXT HIS A 135 36.003 -41.475 27.229 1.00 11.24 O ATOM 0 H HIS A 135 33.228 -39.319 27.941 1.00 10.51 H new ATOM 0 HA HIS A 135 34.415 -40.507 25.497 1.00 11.06 H new ATOM 0 HB2 HIS A 135 33.755 -38.125 25.314 1.00 11.78 H new ATOM 0 HB3 HIS A 135 34.736 -37.745 26.716 1.00 11.78 H new ATOM 0 HD2 HIS A 135 37.434 -37.380 26.202 1.00 12.37 H new ATOM 0 HE1 HIS A 135 37.318 -38.382 22.087 1.00 13.35 H new ATOM 0 HE2 HIS A 135 38.765 -37.451 23.963 1.00 13.03 H new TER 2131 HIS A 135