USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1098 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 10 MET CE :methyl -153:sc= -0.728 (180deg=-1.56) USER MOD Set 1.2: A 119 MET CE :methyl -168:sc= 0 (180deg=-0.0932) USER MOD Set 1.3: A 126 CYS SG : rot 165:sc= -0.331 USER MOD Set 1.4: A 128 GLN : amide:sc= 0 X(o=-1.1,f=-1.4) USER MOD Set 2.1: A 94 GLN : amide:sc= 0.971 K(o=2.4,f=-0.0064) USER MOD Set 2.2: A 107 THR OG1 : rot -56:sc= 1.47 USER MOD Set 3.1: A 44 GLN : amide:sc= 0.871 K(o=0.84,f=-4.1!) USER MOD Set 3.2: A 49 MET CE :methyl 173:sc= -0.0272 (180deg=-0.057) USER MOD Set 4.1: A 40 LYS NZ :NH3+ -144:sc= 1.03 (180deg=0) USER MOD Set 4.2: A 53 THR OG1 : rot 180:sc= 0.891 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN :FLIP amide:sc= 0.617 F(o=-0.71,f=0.62) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.758 K(o=0.76,f=-0.71) USER MOD Single : A 15 ASN : amide:sc= 0.496 K(o=0.5,f=-0.061) USER MOD Single : A 19 TYR OH : rot 107:sc= 0.17 USER MOD Single : A 26 ASN : amide:sc= 0.566 K(o=0.57,f=-2.7!) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 0.0774 (180deg=0.038) USER MOD Single : A 34 ASN : amide:sc= -0.0538 K(o=-0.054,f=-3.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0.971 (180deg=0.971) USER MOD Single : A 48 HIS : no HD1:sc= 0.237 K(o=0.24,f=-0.9) USER MOD Single : A 55 SER OG : rot 49:sc= 0.79 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.907 K(o=0.91,f=-6!) USER MOD Single : A 60 TYR OH : rot 159:sc= 1.43 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.00201 X(o=0.002,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -34:sc= 0.955 USER MOD Single : A 81 LYS NZ :NH3+ -167:sc=-0.00426 (180deg=-0.254) USER MOD Single : A 82 CYS SG : rot -120:sc= -0.286 USER MOD Single : A 83 MET CE :methyl 165:sc= 0 (180deg=-0.119) USER MOD Single : A 84 THR OG1 : rot 63:sc= 0.314 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 139:sc= 0.304 (180deg=0.00295) USER MOD Single : A 95 CYS SG : rot 175:sc= -2.58! USER MOD Single : A 97 GLN : amide:sc= 0.506 K(o=0.51,f=-2.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0.71 (180deg=0.706) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 116 HIS : no HE2:sc=0.000694 X(o=0.00069,f=-0.055) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 174:sc= 0.524 (180deg=0.498) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.940 1.214 -0.216 1.00 0.00 N ATOM 2 CA MET A 0 1.285 0.106 -1.141 1.00 0.00 C ATOM 3 C MET A 0 2.845 -0.071 -1.204 1.00 0.00 C ATOM 4 O MET A 0 3.482 0.620 -2.012 1.00 0.00 O ATOM 5 CB MET A 0 0.594 0.381 -2.504 1.00 0.00 C ATOM 6 CG MET A 0 0.662 -0.787 -3.507 1.00 0.00 C ATOM 7 SD MET A 0 -0.173 -0.313 -5.034 1.00 0.00 S ATOM 8 CE MET A 0 0.051 -1.826 -5.985 1.00 0.00 C ATOM 0 H1 MET A 0 -0.093 1.326 -0.179 1.00 0.00 H new ATOM 0 H2 MET A 0 1.299 0.997 0.735 1.00 0.00 H new ATOM 0 H3 MET A 0 1.372 2.097 -0.556 1.00 0.00 H new ATOM 0 HA MET A 0 0.911 -0.856 -0.791 1.00 0.00 H new ATOM 0 HB2 MET A 0 -0.453 0.626 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 0 1.053 1.259 -2.958 1.00 0.00 H new ATOM 0 HG2 MET A 0 1.701 -1.045 -3.712 1.00 0.00 H new ATOM 0 HG3 MET A 0 0.192 -1.674 -3.082 1.00 0.00 H new ATOM 0 HE1 MET A 0 -0.408 -1.710 -6.967 1.00 0.00 H new ATOM 0 HE2 MET A 0 1.116 -2.027 -6.104 1.00 0.00 H new ATOM 0 HE3 MET A 0 -0.419 -2.658 -5.461 1.00 0.00 H new ATOM 19 N PRO A 1 3.515 -0.955 -0.397 1.00 0.00 N ATOM 20 CA PRO A 1 5.001 -1.028 -0.351 1.00 0.00 C ATOM 21 C PRO A 1 5.675 -1.733 -1.570 1.00 0.00 C ATOM 22 O PRO A 1 5.270 -2.819 -2.000 1.00 0.00 O ATOM 23 CB PRO A 1 5.252 -1.756 0.978 1.00 0.00 C ATOM 24 CG PRO A 1 4.015 -2.610 1.224 1.00 0.00 C ATOM 25 CD PRO A 1 2.869 -1.774 0.652 1.00 0.00 C ATOM 0 HA PRO A 1 5.456 -0.039 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.149 -2.373 0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.404 -1.045 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.092 -3.576 0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.872 -2.809 2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.082 -2.405 0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.408 -1.151 1.418 1.00 0.00 H new ATOM 33 N VAL A 2 6.740 -1.112 -2.099 1.00 0.00 N ATOM 34 CA VAL A 2 7.524 -1.662 -3.247 1.00 0.00 C ATOM 35 C VAL A 2 8.410 -2.896 -2.852 1.00 0.00 C ATOM 36 O VAL A 2 9.012 -2.950 -1.775 1.00 0.00 O ATOM 37 CB VAL A 2 8.350 -0.547 -3.983 1.00 0.00 C ATOM 38 CG1 VAL A 2 7.464 0.441 -4.774 1.00 0.00 C ATOM 39 CG2 VAL A 2 9.333 0.251 -3.095 1.00 0.00 C ATOM 0 H VAL A 2 7.091 -0.218 -1.755 1.00 0.00 H new ATOM 0 HA VAL A 2 6.791 -2.039 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 2 8.956 -1.130 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.094 1.186 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.898 -0.103 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.774 0.938 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.851 0.994 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.780 0.753 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.062 -0.430 -2.656 1.00 0.00 H new ATOM 49 N ASP A 3 8.487 -3.891 -3.754 1.00 0.00 N ATOM 50 CA ASP A 3 9.212 -5.164 -3.501 1.00 0.00 C ATOM 51 C ASP A 3 10.761 -5.020 -3.604 1.00 0.00 C ATOM 52 O ASP A 3 11.309 -4.661 -4.650 1.00 0.00 O ATOM 53 CB ASP A 3 8.608 -6.221 -4.461 1.00 0.00 C ATOM 54 CG ASP A 3 9.012 -7.656 -4.134 1.00 0.00 C ATOM 55 OD1 ASP A 3 9.184 -8.079 -2.995 1.00 0.00 O ATOM 56 OD2 ASP A 3 9.188 -8.410 -5.251 1.00 0.00 O ATOM 0 H ASP A 3 8.053 -3.843 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 3 9.072 -5.486 -2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.521 -6.144 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.917 -5.990 -5.480 1.00 0.00 H new ATOM 62 N PHE A 4 11.455 -5.353 -2.504 1.00 0.00 N ATOM 63 CA PHE A 4 12.942 -5.327 -2.446 1.00 0.00 C ATOM 64 C PHE A 4 13.666 -6.621 -2.968 1.00 0.00 C ATOM 65 O PHE A 4 14.893 -6.679 -2.852 1.00 0.00 O ATOM 66 CB PHE A 4 13.359 -4.956 -0.987 1.00 0.00 C ATOM 67 CG PHE A 4 13.054 -3.562 -0.377 1.00 0.00 C ATOM 68 CD1 PHE A 4 12.322 -2.557 -1.026 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.546 -3.309 0.911 1.00 0.00 C ATOM 70 CE1 PHE A 4 12.094 -1.331 -0.408 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.308 -2.084 1.529 1.00 0.00 C ATOM 72 CZ PHE A 4 12.581 -1.101 0.871 1.00 0.00 C ATOM 0 H PHE A 4 11.014 -5.647 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 4 13.283 -4.570 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.899 -5.695 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.438 -5.099 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.931 -2.737 -2.017 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.113 -4.069 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.539 -0.560 -0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.690 -1.898 2.522 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.394 -0.154 1.356 1.00 0.00 H new ATOM 82 N ASN A 5 12.981 -7.615 -3.592 1.00 0.00 N ATOM 83 CA ASN A 5 13.654 -8.789 -4.237 1.00 0.00 C ATOM 84 C ASN A 5 14.800 -8.428 -5.241 1.00 0.00 C ATOM 85 O ASN A 5 14.559 -7.744 -6.240 1.00 0.00 O ATOM 86 CB ASN A 5 12.638 -9.679 -5.018 1.00 0.00 C ATOM 87 CG ASN A 5 11.630 -10.504 -4.230 1.00 0.00 C ATOM 88 OD1 ASN A 5 12.080 -11.403 -3.403 1.00 0.00 O flip ATOM 89 ND2 ASN A 5 10.421 -10.385 -4.383 1.00 0.00 N flip ATOM 0 H ASN A 5 11.964 -7.633 -3.665 1.00 0.00 H new ATOM 0 HA ASN A 5 14.092 -9.317 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.079 -9.029 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.211 -10.365 -5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.055 -9.685 -5.028 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.780 -10.986 -3.866 1.00 0.00 H new ATOM 96 N GLY A 6 16.024 -8.924 -4.996 1.00 0.00 N ATOM 97 CA GLY A 6 17.134 -8.743 -5.960 1.00 0.00 C ATOM 98 C GLY A 6 18.553 -8.925 -5.397 1.00 0.00 C ATOM 99 O GLY A 6 18.781 -9.129 -4.200 1.00 0.00 O ATOM 0 H GLY A 6 16.273 -9.445 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 6 16.996 -9.449 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.059 -7.742 -6.386 1.00 0.00 H new ATOM 103 N TYR A 7 19.515 -8.795 -6.318 1.00 0.00 N ATOM 104 CA TYR A 7 20.948 -8.615 -5.971 1.00 0.00 C ATOM 105 C TYR A 7 21.369 -7.159 -6.356 1.00 0.00 C ATOM 106 O TYR A 7 21.126 -6.694 -7.477 1.00 0.00 O ATOM 107 CB TYR A 7 21.798 -9.703 -6.683 1.00 0.00 C ATOM 108 CG TYR A 7 23.177 -9.945 -6.046 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.261 -9.121 -6.360 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.358 -10.994 -5.136 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.505 -9.339 -5.776 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.601 -11.204 -4.542 1.00 0.00 C ATOM 113 CZ TYR A 7 25.672 -10.375 -4.860 1.00 0.00 C ATOM 114 OH TYR A 7 26.892 -10.566 -4.270 1.00 0.00 O ATOM 0 H TYR A 7 19.334 -8.810 -7.322 1.00 0.00 H new ATOM 0 HA TYR A 7 21.117 -8.740 -4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.241 -10.640 -6.683 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.937 -9.415 -7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.132 -8.309 -7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.530 -11.644 -4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.341 -8.705 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.733 -12.010 -3.835 1.00 0.00 H new ATOM 0 HH TYR A 7 26.843 -11.328 -3.656 1.00 0.00 H new ATOM 124 N TRP A 8 21.983 -6.447 -5.403 1.00 0.00 N ATOM 125 CA TRP A 8 22.213 -4.980 -5.487 1.00 0.00 C ATOM 126 C TRP A 8 23.734 -4.656 -5.253 1.00 0.00 C ATOM 127 O TRP A 8 24.361 -5.227 -4.356 1.00 0.00 O ATOM 128 CB TRP A 8 21.313 -4.267 -4.430 1.00 0.00 C ATOM 129 CG TRP A 8 19.792 -4.540 -4.408 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.160 -5.629 -3.761 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.759 -3.780 -4.930 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.761 -5.588 -3.902 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.534 -4.431 -4.623 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.756 -2.540 -5.616 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.304 -3.853 -5.013 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.529 -1.986 -5.987 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.323 -2.634 -5.695 1.00 0.00 C ATOM 0 H TRP A 8 22.340 -6.865 -4.544 1.00 0.00 H new ATOM 0 HA TRP A 8 21.948 -4.616 -6.480 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.704 -4.522 -3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.449 -3.193 -4.558 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.690 -6.401 -3.222 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.074 -6.257 -3.553 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.682 -2.035 -5.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.369 -4.344 -4.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.510 -1.041 -6.509 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.391 -2.184 -6.002 1.00 0.00 H new ATOM 148 N LYS A 9 24.330 -3.726 -6.023 1.00 0.00 N ATOM 149 CA LYS A 9 25.768 -3.316 -5.871 1.00 0.00 C ATOM 150 C LYS A 9 25.924 -1.848 -5.352 1.00 0.00 C ATOM 151 O LYS A 9 25.233 -0.951 -5.843 1.00 0.00 O ATOM 152 CB LYS A 9 26.532 -3.541 -7.210 1.00 0.00 C ATOM 153 CG LYS A 9 26.169 -2.623 -8.408 1.00 0.00 C ATOM 154 CD LYS A 9 27.087 -2.826 -9.632 1.00 0.00 C ATOM 155 CE LYS A 9 26.683 -2.005 -10.872 1.00 0.00 C ATOM 156 NZ LYS A 9 27.015 -0.573 -10.718 1.00 0.00 N ATOM 0 H LYS A 9 23.843 -3.230 -6.770 1.00 0.00 H new ATOM 0 HA LYS A 9 26.214 -3.950 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.598 -3.428 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.372 -4.574 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.136 -2.812 -8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.225 -1.582 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.107 -2.563 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.091 -3.883 -9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.190 -2.402 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.612 -2.113 -11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.727 -0.056 -11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.512 -0.187 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.040 -0.467 -10.578 1.00 0.00 H new ATOM 169 N MET A 10 26.839 -1.564 -4.402 1.00 0.00 N ATOM 170 CA MET A 10 26.957 -0.204 -3.795 1.00 0.00 C ATOM 171 C MET A 10 27.633 0.857 -4.722 1.00 0.00 C ATOM 172 O MET A 10 28.766 0.697 -5.183 1.00 0.00 O ATOM 173 CB MET A 10 27.648 -0.325 -2.417 1.00 0.00 C ATOM 174 CG MET A 10 27.460 0.870 -1.460 1.00 0.00 C ATOM 175 SD MET A 10 27.454 0.218 0.222 1.00 0.00 S ATOM 176 CE MET A 10 28.604 1.292 1.067 1.00 0.00 C ATOM 0 H MET A 10 27.505 -2.244 -4.036 1.00 0.00 H new ATOM 0 HA MET A 10 25.948 0.186 -3.658 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.276 -1.223 -1.923 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.716 -0.470 -2.580 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.264 1.594 -1.588 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.526 1.390 -1.674 1.00 0.00 H new ATOM 0 HE1 MET A 10 29.051 0.758 1.906 1.00 0.00 H new ATOM 0 HE2 MET A 10 29.387 1.603 0.375 1.00 0.00 H new ATOM 0 HE3 MET A 10 28.076 2.171 1.436 1.00 0.00 H new ATOM 186 N LEU A 11 26.908 1.957 -4.966 1.00 0.00 N ATOM 187 CA LEU A 11 27.398 3.115 -5.764 1.00 0.00 C ATOM 188 C LEU A 11 28.207 4.158 -4.926 1.00 0.00 C ATOM 189 O LEU A 11 29.309 4.537 -5.330 1.00 0.00 O ATOM 190 CB LEU A 11 26.188 3.800 -6.472 1.00 0.00 C ATOM 191 CG LEU A 11 25.372 2.990 -7.512 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.208 3.854 -8.034 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.227 2.507 -8.697 1.00 0.00 C ATOM 0 H LEU A 11 25.957 2.080 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 11 28.098 2.723 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.497 4.131 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.561 4.695 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 11 24.995 2.101 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.633 3.286 -8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.561 4.134 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.605 4.754 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.602 1.946 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.658 3.367 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.028 1.865 -8.330 1.00 0.00 H new ATOM 205 N SER A 12 27.651 4.656 -3.803 1.00 0.00 N ATOM 206 CA SER A 12 28.285 5.713 -2.966 1.00 0.00 C ATOM 207 C SER A 12 28.050 5.475 -1.442 1.00 0.00 C ATOM 208 O SER A 12 27.003 4.960 -1.029 1.00 0.00 O ATOM 209 CB SER A 12 27.770 7.106 -3.412 1.00 0.00 C ATOM 210 OG SER A 12 26.356 7.242 -3.264 1.00 0.00 O ATOM 0 H SER A 12 26.749 4.341 -3.445 1.00 0.00 H new ATOM 0 HA SER A 12 29.364 5.670 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.269 7.878 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.040 7.272 -4.455 1.00 0.00 H new ATOM 0 HG SER A 12 26.081 8.136 -3.556 1.00 0.00 H new ATOM 216 N ASN A 13 29.026 5.889 -0.608 1.00 0.00 N ATOM 217 CA ASN A 13 28.870 5.924 0.874 1.00 0.00 C ATOM 218 C ASN A 13 29.224 7.345 1.417 1.00 0.00 C ATOM 219 O ASN A 13 30.361 7.806 1.282 1.00 0.00 O ATOM 220 CB ASN A 13 29.636 4.741 1.531 1.00 0.00 C ATOM 221 CG ASN A 13 31.145 4.818 1.783 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.590 5.200 2.858 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.968 4.400 0.853 1.00 0.00 N ATOM 0 H ASN A 13 29.939 6.207 -0.932 1.00 0.00 H new ATOM 0 HA ASN A 13 27.829 5.765 1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.161 4.549 2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.461 3.863 0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.973 4.394 1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.604 4.081 -0.045 1.00 0.00 H new ATOM 230 N GLU A 14 28.246 8.042 2.018 1.00 0.00 N ATOM 231 CA GLU A 14 28.451 9.394 2.602 1.00 0.00 C ATOM 232 C GLU A 14 28.317 9.293 4.151 1.00 0.00 C ATOM 233 O GLU A 14 27.246 8.978 4.679 1.00 0.00 O ATOM 234 CB GLU A 14 27.439 10.372 1.948 1.00 0.00 C ATOM 235 CG GLU A 14 27.634 11.859 2.342 1.00 0.00 C ATOM 236 CD GLU A 14 26.602 12.806 1.736 1.00 0.00 C ATOM 237 OE1 GLU A 14 25.641 13.253 2.353 1.00 0.00 O ATOM 238 OE2 GLU A 14 26.879 13.116 0.439 1.00 0.00 O ATOM 0 H GLU A 14 27.292 7.694 2.117 1.00 0.00 H new ATOM 0 HA GLU A 14 29.448 9.785 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.516 10.283 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.429 10.066 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.595 11.944 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.629 12.178 2.033 1.00 0.00 H new ATOM 246 N ASN A 15 29.416 9.577 4.875 1.00 0.00 N ATOM 247 CA ASN A 15 29.457 9.578 6.374 1.00 0.00 C ATOM 248 C ASN A 15 29.342 8.190 7.119 1.00 0.00 C ATOM 249 O ASN A 15 29.005 8.140 8.307 1.00 0.00 O ATOM 250 CB ASN A 15 28.534 10.717 6.914 1.00 0.00 C ATOM 251 CG ASN A 15 28.924 11.287 8.277 1.00 0.00 C ATOM 252 OD1 ASN A 15 30.061 11.686 8.502 1.00 0.00 O ATOM 253 ND2 ASN A 15 28.011 11.376 9.211 1.00 0.00 N ATOM 0 H ASN A 15 30.311 9.815 4.448 1.00 0.00 H new ATOM 0 HA ASN A 15 30.488 9.802 6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.526 11.530 6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.515 10.336 6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 15 28.248 11.775 10.119 1.00 0.00 H new ATOM 0 HD22 ASN A 15 27.063 11.046 9.031 1.00 0.00 H new ATOM 260 N PHE A 16 29.727 7.071 6.469 1.00 0.00 N ATOM 261 CA PHE A 16 29.858 5.734 7.128 1.00 0.00 C ATOM 262 C PHE A 16 30.946 5.641 8.254 1.00 0.00 C ATOM 263 O PHE A 16 30.657 5.138 9.342 1.00 0.00 O ATOM 264 CB PHE A 16 29.999 4.674 5.994 1.00 0.00 C ATOM 265 CG PHE A 16 29.931 3.180 6.380 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.916 2.678 7.204 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.851 2.288 5.819 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.843 1.315 7.485 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.765 0.924 6.084 1.00 0.00 C ATOM 270 CZ PHE A 16 29.766 0.439 6.922 1.00 0.00 C ATOM 0 H PHE A 16 29.957 7.058 5.475 1.00 0.00 H new ATOM 0 HA PHE A 16 28.958 5.535 7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.215 4.865 5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.952 4.846 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.185 3.352 7.625 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.634 2.660 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.071 0.939 8.139 1.00 0.00 H new ATOM 0 HE2 PHE A 16 31.474 0.242 5.639 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.707 -0.618 7.136 1.00 0.00 H new ATOM 280 N GLU A 17 32.157 6.179 8.024 1.00 0.00 N ATOM 281 CA GLU A 17 33.231 6.297 9.052 1.00 0.00 C ATOM 282 C GLU A 17 32.882 7.030 10.399 1.00 0.00 C ATOM 283 O GLU A 17 33.299 6.555 11.461 1.00 0.00 O ATOM 284 CB GLU A 17 34.440 6.932 8.310 1.00 0.00 C ATOM 285 CG GLU A 17 35.804 6.745 9.001 1.00 0.00 C ATOM 286 CD GLU A 17 36.992 7.058 8.100 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.638 8.099 8.171 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.256 6.039 7.227 1.00 0.00 O ATOM 0 H GLU A 17 32.430 6.550 7.114 1.00 0.00 H new ATOM 0 HA GLU A 17 33.437 5.300 9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.496 6.505 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 17 34.254 7.999 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.847 7.387 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 17 35.886 5.716 9.352 1.00 0.00 H new ATOM 296 N GLU A 18 32.125 8.148 10.370 1.00 0.00 N ATOM 297 CA GLU A 18 31.584 8.800 11.601 1.00 0.00 C ATOM 298 C GLU A 18 30.380 8.054 12.281 1.00 0.00 C ATOM 299 O GLU A 18 30.350 7.955 13.509 1.00 0.00 O ATOM 300 CB GLU A 18 31.235 10.275 11.271 1.00 0.00 C ATOM 301 CG GLU A 18 31.122 11.182 12.522 1.00 0.00 C ATOM 302 CD GLU A 18 30.476 12.549 12.294 1.00 0.00 C ATOM 303 OE1 GLU A 18 29.557 12.753 11.503 1.00 0.00 O ATOM 304 OE2 GLU A 18 31.011 13.503 13.113 1.00 0.00 O ATOM 0 H GLU A 18 31.869 8.626 9.506 1.00 0.00 H new ATOM 0 HA GLU A 18 32.370 8.750 12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.999 10.680 10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.291 10.303 10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.548 10.652 13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.122 11.336 12.928 1.00 0.00 H new ATOM 312 N TYR A 19 29.410 7.509 11.518 1.00 0.00 N ATOM 313 CA TYR A 19 28.446 6.476 12.018 1.00 0.00 C ATOM 314 C TYR A 19 29.098 5.264 12.775 1.00 0.00 C ATOM 315 O TYR A 19 28.672 4.935 13.883 1.00 0.00 O ATOM 316 CB TYR A 19 27.573 6.085 10.788 1.00 0.00 C ATOM 317 CG TYR A 19 26.714 4.810 10.882 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.445 4.828 11.461 1.00 0.00 C ATOM 319 CD2 TYR A 19 27.232 3.601 10.398 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.702 3.651 11.555 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.486 2.430 10.488 1.00 0.00 C ATOM 322 CZ TYR A 19 25.219 2.457 11.059 1.00 0.00 C ATOM 323 OH TYR A 19 24.483 1.306 11.147 1.00 0.00 O ATOM 0 H TYR A 19 29.264 7.763 10.541 1.00 0.00 H new ATOM 0 HA TYR A 19 27.827 6.890 12.814 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.907 6.920 10.573 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.236 5.977 9.930 1.00 0.00 H new ATOM 0 HD1 TYR A 19 25.037 5.755 11.837 1.00 0.00 H new ATOM 0 HD2 TYR A 19 28.216 3.578 9.953 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.724 3.666 12.013 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.891 1.501 10.115 1.00 0.00 H new ATOM 0 HH TYR A 19 24.147 1.064 10.259 1.00 0.00 H new ATOM 333 N LEU A 20 30.141 4.639 12.202 1.00 0.00 N ATOM 334 CA LEU A 20 30.972 3.628 12.912 1.00 0.00 C ATOM 335 C LEU A 20 31.739 4.157 14.179 1.00 0.00 C ATOM 336 O LEU A 20 31.740 3.470 15.205 1.00 0.00 O ATOM 337 CB LEU A 20 31.922 2.970 11.873 1.00 0.00 C ATOM 338 CG LEU A 20 31.299 2.116 10.731 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.377 1.767 9.690 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.632 0.823 11.231 1.00 0.00 C ATOM 0 H LEU A 20 30.437 4.812 11.241 1.00 0.00 H new ATOM 0 HA LEU A 20 30.295 2.887 13.337 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.508 3.764 11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.620 2.335 12.418 1.00 0.00 H new ATOM 0 HG LEU A 20 30.515 2.725 10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.934 1.169 8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.787 2.685 9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.175 1.199 10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.218 0.276 10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.373 0.203 11.736 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.831 1.072 11.927 1.00 0.00 H new ATOM 352 N ARG A 21 32.314 5.379 14.160 1.00 0.00 N ATOM 353 CA ARG A 21 32.777 6.090 15.396 1.00 0.00 C ATOM 354 C ARG A 21 31.692 6.253 16.523 1.00 0.00 C ATOM 355 O ARG A 21 31.931 5.862 17.668 1.00 0.00 O ATOM 356 CB ARG A 21 33.363 7.465 14.960 1.00 0.00 C ATOM 357 CG ARG A 21 34.248 8.187 16.005 1.00 0.00 C ATOM 358 CD ARG A 21 34.648 9.621 15.595 1.00 0.00 C ATOM 359 NE ARG A 21 33.512 10.575 15.727 1.00 0.00 N ATOM 360 CZ ARG A 21 33.559 11.866 15.402 1.00 0.00 C ATOM 361 NH1 ARG A 21 34.595 12.454 14.845 1.00 0.00 N ATOM 362 NH2 ARG A 21 32.507 12.601 15.648 1.00 0.00 N ATOM 0 H ARG A 21 32.474 5.906 13.301 1.00 0.00 H new ATOM 0 HA ARG A 21 33.535 5.466 15.869 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.952 7.316 14.055 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.535 8.124 14.697 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.715 8.226 16.955 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.152 7.600 16.170 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.478 9.958 16.216 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.002 9.618 14.564 1.00 0.00 H new ATOM 0 HE ARG A 21 32.632 10.213 16.094 1.00 0.00 H new ATOM 0 HH11 ARG A 21 35.435 11.915 14.634 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.559 13.449 14.624 1.00 0.00 H new ATOM 0 HH21 ARG A 21 31.682 12.183 16.077 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.511 13.593 15.411 1.00 0.00 H new ATOM 376 N ALA A 22 30.491 6.760 16.181 1.00 0.00 N ATOM 377 CA ALA A 22 29.293 6.718 17.062 1.00 0.00 C ATOM 378 C ALA A 22 28.774 5.319 17.541 1.00 0.00 C ATOM 379 O ALA A 22 28.092 5.261 18.569 1.00 0.00 O ATOM 380 CB ALA A 22 28.189 7.465 16.290 1.00 0.00 C ATOM 0 H ALA A 22 30.318 7.213 15.284 1.00 0.00 H new ATOM 0 HA ALA A 22 29.584 7.174 18.008 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.273 7.473 16.881 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.508 8.490 16.100 1.00 0.00 H new ATOM 0 HB3 ALA A 22 28.004 6.961 15.342 1.00 0.00 H new ATOM 386 N LEU A 23 29.106 4.217 16.840 1.00 0.00 N ATOM 387 CA LEU A 23 28.876 2.828 17.333 1.00 0.00 C ATOM 388 C LEU A 23 30.051 2.184 18.142 1.00 0.00 C ATOM 389 O LEU A 23 29.969 0.999 18.480 1.00 0.00 O ATOM 390 CB LEU A 23 28.488 1.974 16.088 1.00 0.00 C ATOM 391 CG LEU A 23 27.063 2.255 15.548 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.878 1.787 14.104 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.984 1.620 16.439 1.00 0.00 C ATOM 0 H LEU A 23 29.540 4.255 15.918 1.00 0.00 H new ATOM 0 HA LEU A 23 28.080 2.862 18.076 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.210 2.161 15.293 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.565 0.918 16.347 1.00 0.00 H new ATOM 0 HG LEU A 23 26.947 3.339 15.567 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.862 2.009 13.777 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.588 2.306 13.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.052 0.713 14.045 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.998 1.839 16.028 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.131 0.541 16.475 1.00 0.00 H new ATOM 0 HD23 LEU A 23 26.056 2.030 17.446 1.00 0.00 H new ATOM 405 N ASP A 24 31.105 2.947 18.497 1.00 0.00 N ATOM 406 CA ASP A 24 32.313 2.445 19.230 1.00 0.00 C ATOM 407 C ASP A 24 33.253 1.492 18.398 1.00 0.00 C ATOM 408 O ASP A 24 33.892 0.597 18.960 1.00 0.00 O ATOM 409 CB ASP A 24 31.956 1.888 20.647 1.00 0.00 C ATOM 410 CG ASP A 24 31.139 2.810 21.560 1.00 0.00 C ATOM 411 OD1 ASP A 24 31.400 3.992 21.758 1.00 0.00 O ATOM 412 OD2 ASP A 24 30.063 2.174 22.097 1.00 0.00 O ATOM 0 H ASP A 24 31.154 3.944 18.286 1.00 0.00 H new ATOM 0 HA ASP A 24 32.931 3.329 19.386 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.402 0.958 20.518 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.885 1.637 21.159 1.00 0.00 H new ATOM 418 N VAL A 25 33.372 1.692 17.069 1.00 0.00 N ATOM 419 CA VAL A 25 34.098 0.743 16.165 1.00 0.00 C ATOM 420 C VAL A 25 35.583 1.213 15.946 1.00 0.00 C ATOM 421 O VAL A 25 35.881 2.408 15.848 1.00 0.00 O ATOM 422 CB VAL A 25 33.280 0.553 14.839 1.00 0.00 C ATOM 423 CG1 VAL A 25 33.945 -0.400 13.821 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.840 0.013 15.046 1.00 0.00 C ATOM 0 H VAL A 25 32.978 2.500 16.587 1.00 0.00 H new ATOM 0 HA VAL A 25 34.173 -0.241 16.627 1.00 0.00 H new ATOM 0 HB VAL A 25 33.251 1.572 14.453 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.318 -0.478 12.933 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.923 -0.009 13.542 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.063 -1.386 14.270 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.347 -0.088 14.079 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.883 -0.960 15.535 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.277 0.708 15.670 1.00 0.00 H new ATOM 434 N ASN A 26 36.520 0.249 15.844 1.00 0.00 N ATOM 435 CA ASN A 26 37.979 0.534 15.711 1.00 0.00 C ATOM 436 C ASN A 26 38.425 1.276 14.398 1.00 0.00 C ATOM 437 O ASN A 26 37.815 1.130 13.334 1.00 0.00 O ATOM 438 CB ASN A 26 38.765 -0.788 15.965 1.00 0.00 C ATOM 439 CG ASN A 26 38.752 -1.847 14.848 1.00 0.00 C ATOM 440 OD1 ASN A 26 39.393 -1.700 13.811 1.00 0.00 O ATOM 441 ND2 ASN A 26 38.049 -2.940 15.011 1.00 0.00 N ATOM 0 H ASN A 26 36.297 -0.746 15.851 1.00 0.00 H new ATOM 0 HA ASN A 26 38.227 1.274 16.472 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.803 -0.528 16.170 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.367 -1.248 16.869 1.00 0.00 H new ATOM 0 HD21 ASN A 26 38.040 -3.654 14.282 1.00 0.00 H new ATOM 0 HD22 ASN A 26 37.511 -3.078 15.867 1.00 0.00 H new ATOM 448 N VAL A 27 39.541 2.027 14.484 1.00 0.00 N ATOM 449 CA VAL A 27 40.109 2.819 13.341 1.00 0.00 C ATOM 450 C VAL A 27 40.482 1.990 12.055 1.00 0.00 C ATOM 451 O VAL A 27 40.166 2.438 10.949 1.00 0.00 O ATOM 452 CB VAL A 27 41.235 3.772 13.886 1.00 0.00 C ATOM 453 CG1 VAL A 27 42.073 4.493 12.802 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.664 4.892 14.794 1.00 0.00 C ATOM 0 H VAL A 27 40.085 2.111 15.343 1.00 0.00 H new ATOM 0 HA VAL A 27 39.310 3.441 12.937 1.00 0.00 H new ATOM 0 HB VAL A 27 41.878 3.082 14.432 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.821 5.125 13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.571 3.753 12.175 1.00 0.00 H new ATOM 0 HG13 VAL A 27 41.418 5.109 12.186 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.478 5.525 15.147 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.955 5.495 14.226 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.156 4.444 15.648 1.00 0.00 H new ATOM 464 N ALA A 28 41.105 0.801 12.169 1.00 0.00 N ATOM 465 CA ALA A 28 41.353 -0.098 11.004 1.00 0.00 C ATOM 466 C ALA A 28 40.078 -0.571 10.220 1.00 0.00 C ATOM 467 O ALA A 28 40.001 -0.364 9.005 1.00 0.00 O ATOM 468 CB ALA A 28 42.221 -1.261 11.521 1.00 0.00 C ATOM 0 H ALA A 28 41.450 0.432 13.055 1.00 0.00 H new ATOM 0 HA ALA A 28 41.872 0.470 10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.431 -1.950 10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.159 -0.868 11.915 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.688 -1.789 12.312 1.00 0.00 H new ATOM 474 N LEU A 29 39.056 -1.115 10.912 1.00 0.00 N ATOM 475 CA LEU A 29 37.688 -1.326 10.345 1.00 0.00 C ATOM 476 C LEU A 29 37.032 -0.032 9.738 1.00 0.00 C ATOM 477 O LEU A 29 36.649 -0.047 8.567 1.00 0.00 O ATOM 478 CB LEU A 29 36.842 -1.992 11.478 1.00 0.00 C ATOM 479 CG LEU A 29 35.486 -2.683 11.163 1.00 0.00 C ATOM 480 CD1 LEU A 29 34.432 -1.785 10.494 1.00 0.00 C ATOM 481 CD2 LEU A 29 35.658 -3.980 10.358 1.00 0.00 C ATOM 0 H LEU A 29 39.145 -1.424 11.880 1.00 0.00 H new ATOM 0 HA LEU A 29 37.741 -1.979 9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.478 -2.738 11.954 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.642 -1.221 12.222 1.00 0.00 H new ATOM 0 HG LEU A 29 35.095 -2.924 12.152 1.00 0.00 H new ATOM 0 HD11 LEU A 29 33.524 -2.361 10.316 1.00 0.00 H new ATOM 0 HD12 LEU A 29 34.205 -0.942 11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 29 34.819 -1.415 9.544 1.00 0.00 H new ATOM 0 HD21 LEU A 29 34.680 -4.421 10.166 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.149 -3.758 9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.268 -4.683 10.926 1.00 0.00 H new ATOM 493 N ARG A 30 36.951 1.078 10.501 1.00 0.00 N ATOM 494 CA ARG A 30 36.526 2.423 9.995 1.00 0.00 C ATOM 495 C ARG A 30 37.171 2.959 8.666 1.00 0.00 C ATOM 496 O ARG A 30 36.470 3.565 7.848 1.00 0.00 O ATOM 497 CB ARG A 30 36.782 3.438 11.145 1.00 0.00 C ATOM 498 CG ARG A 30 35.739 3.487 12.289 1.00 0.00 C ATOM 499 CD ARG A 30 36.072 4.516 13.390 1.00 0.00 C ATOM 500 NE ARG A 30 35.943 5.906 12.873 1.00 0.00 N ATOM 501 CZ ARG A 30 36.692 6.945 13.231 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.616 6.912 14.163 1.00 0.00 N ATOM 503 NH2 ARG A 30 36.484 8.079 12.620 1.00 0.00 N ATOM 0 H ARG A 30 37.178 1.078 11.495 1.00 0.00 H new ATOM 0 HA ARG A 30 35.480 2.306 9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.754 3.214 11.583 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.851 4.434 10.708 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.762 3.723 11.868 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.661 2.498 12.740 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.403 4.376 14.239 1.00 0.00 H new ATOM 0 HD3 ARG A 30 37.087 4.351 13.753 1.00 0.00 H new ATOM 0 HE ARG A 30 35.214 6.077 12.181 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.799 6.045 14.669 1.00 0.00 H new ATOM 0 HH12 ARG A 30 38.150 7.753 14.381 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.768 8.145 11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 30 37.038 8.900 12.866 1.00 0.00 H new ATOM 517 N LYS A 31 38.488 2.778 8.470 1.00 0.00 N ATOM 518 CA LYS A 31 39.189 3.128 7.200 1.00 0.00 C ATOM 519 C LYS A 31 38.927 2.109 6.045 1.00 0.00 C ATOM 520 O LYS A 31 38.497 2.522 4.965 1.00 0.00 O ATOM 521 CB LYS A 31 40.700 3.366 7.505 1.00 0.00 C ATOM 522 CG LYS A 31 41.106 4.810 7.902 1.00 0.00 C ATOM 523 CD LYS A 31 40.320 5.418 9.082 1.00 0.00 C ATOM 524 CE LYS A 31 40.807 6.815 9.489 1.00 0.00 C ATOM 525 NZ LYS A 31 39.851 7.429 10.432 1.00 0.00 N ATOM 0 H LYS A 31 39.106 2.386 9.181 1.00 0.00 H new ATOM 0 HA LYS A 31 38.770 4.056 6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.995 2.695 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 31 41.275 3.079 6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 31 42.167 4.815 8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 31 40.981 5.456 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 31 39.265 5.474 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 31 40.396 4.751 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 31 41.792 6.745 9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 31 40.913 7.444 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.297 8.246 10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 39.006 7.743 9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.576 6.730 11.152 1.00 0.00 H new ATOM 538 N ILE A 32 39.146 0.797 6.262 1.00 0.00 N ATOM 539 CA ILE A 32 38.925 -0.259 5.220 1.00 0.00 C ATOM 540 C ILE A 32 37.419 -0.373 4.770 1.00 0.00 C ATOM 541 O ILE A 32 37.157 -0.345 3.566 1.00 0.00 O ATOM 542 CB ILE A 32 39.566 -1.626 5.668 1.00 0.00 C ATOM 543 CG1 ILE A 32 41.077 -1.559 6.067 1.00 0.00 C ATOM 544 CG2 ILE A 32 39.415 -2.731 4.585 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.523 -2.668 7.038 1.00 0.00 C ATOM 0 H ILE A 32 39.479 0.428 7.153 1.00 0.00 H new ATOM 0 HA ILE A 32 39.449 0.049 4.315 1.00 0.00 H new ATOM 0 HB ILE A 32 38.996 -1.873 6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.683 -1.618 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 32 41.278 -0.590 6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.873 -3.654 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 32 38.357 -2.903 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.909 -2.411 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.583 -2.549 7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.946 -2.598 7.960 1.00 0.00 H new ATOM 0 HD13 ILE A 32 41.357 -3.642 6.579 1.00 0.00 H new ATOM 557 N ALA A 33 36.442 -0.470 5.698 1.00 0.00 N ATOM 558 CA ALA A 33 34.991 -0.493 5.354 1.00 0.00 C ATOM 559 C ALA A 33 34.378 0.784 4.681 1.00 0.00 C ATOM 560 O ALA A 33 33.494 0.646 3.833 1.00 0.00 O ATOM 561 CB ALA A 33 34.244 -0.907 6.635 1.00 0.00 C ATOM 0 H ALA A 33 36.627 -0.534 6.699 1.00 0.00 H new ATOM 0 HA ALA A 33 34.867 -1.211 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 33 33.173 -0.939 6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.584 -1.893 6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 33 34.445 -0.182 7.424 1.00 0.00 H new ATOM 567 N ASN A 34 34.856 2.003 5.007 1.00 0.00 N ATOM 568 CA ASN A 34 34.557 3.230 4.206 1.00 0.00 C ATOM 569 C ASN A 34 35.211 3.301 2.781 1.00 0.00 C ATOM 570 O ASN A 34 34.614 3.891 1.878 1.00 0.00 O ATOM 571 CB ASN A 34 34.921 4.451 5.095 1.00 0.00 C ATOM 572 CG ASN A 34 34.254 5.783 4.732 1.00 0.00 C ATOM 573 OD1 ASN A 34 33.179 6.120 5.217 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.891 6.627 3.961 1.00 0.00 N ATOM 0 H ASN A 34 35.451 2.174 5.817 1.00 0.00 H new ATOM 0 HA ASN A 34 33.496 3.217 3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.664 4.211 6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 34 36.002 4.589 5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.492 7.547 3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.786 6.365 3.548 1.00 0.00 H new ATOM 581 N LEU A 35 36.402 2.714 2.564 1.00 0.00 N ATOM 582 CA LEU A 35 36.998 2.571 1.202 1.00 0.00 C ATOM 583 C LEU A 35 36.321 1.516 0.261 1.00 0.00 C ATOM 584 O LEU A 35 36.267 1.757 -0.948 1.00 0.00 O ATOM 585 CB LEU A 35 38.524 2.295 1.333 1.00 0.00 C ATOM 586 CG LEU A 35 39.413 3.458 1.852 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.814 2.940 2.221 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.539 4.592 0.819 1.00 0.00 C ATOM 0 H LEU A 35 36.980 2.327 3.310 1.00 0.00 H new ATOM 0 HA LEU A 35 36.810 3.522 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.657 1.444 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.898 1.994 0.354 1.00 0.00 H new ATOM 0 HG LEU A 35 38.926 3.862 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.424 3.768 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.728 2.184 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.283 2.501 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 35 40.169 5.384 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.987 4.203 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.550 4.993 0.596 1.00 0.00 H new ATOM 600 N LEU A 36 35.843 0.362 0.769 1.00 0.00 N ATOM 601 CA LEU A 36 35.214 -0.690 -0.086 1.00 0.00 C ATOM 602 C LEU A 36 33.717 -0.417 -0.458 1.00 0.00 C ATOM 603 O LEU A 36 32.972 0.242 0.276 1.00 0.00 O ATOM 604 CB LEU A 36 35.520 -2.131 0.415 1.00 0.00 C ATOM 605 CG LEU A 36 35.067 -2.556 1.827 1.00 0.00 C ATOM 606 CD1 LEU A 36 33.542 -2.640 2.004 1.00 0.00 C ATOM 607 CD2 LEU A 36 35.696 -3.909 2.205 1.00 0.00 C ATOM 0 H LEU A 36 35.876 0.127 1.761 1.00 0.00 H new ATOM 0 HA LEU A 36 35.712 -0.619 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 36 35.071 -2.826 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.599 -2.273 0.362 1.00 0.00 H new ATOM 0 HG LEU A 36 35.415 -1.766 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 36 33.310 -2.945 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.099 -1.664 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.134 -3.371 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 36 35.368 -4.197 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.384 -4.668 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.782 -3.822 2.191 1.00 0.00 H new ATOM 619 N LYS A 37 33.281 -0.955 -1.610 1.00 0.00 N ATOM 620 CA LYS A 37 31.868 -0.855 -2.071 1.00 0.00 C ATOM 621 C LYS A 37 31.210 -2.281 -2.002 1.00 0.00 C ATOM 622 O LYS A 37 31.450 -3.083 -2.912 1.00 0.00 O ATOM 623 CB LYS A 37 31.809 -0.196 -3.479 1.00 0.00 C ATOM 624 CG LYS A 37 32.252 1.288 -3.565 1.00 0.00 C ATOM 625 CD LYS A 37 31.290 2.304 -2.902 1.00 0.00 C ATOM 626 CE LYS A 37 31.846 3.737 -2.800 1.00 0.00 C ATOM 627 NZ LYS A 37 31.935 4.398 -4.116 1.00 0.00 N ATOM 0 H LYS A 37 33.886 -1.470 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 37 31.286 -0.204 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.434 -0.779 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.786 -0.269 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.233 1.385 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.369 1.555 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.360 2.328 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.043 1.951 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.207 4.326 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.835 3.709 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.314 5.359 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.565 3.852 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 30.988 4.450 -4.543 1.00 0.00 H new ATOM 640 N PRO A 38 30.408 -2.662 -0.958 1.00 0.00 N ATOM 641 CA PRO A 38 29.845 -4.035 -0.828 1.00 0.00 C ATOM 642 C PRO A 38 28.608 -4.358 -1.730 1.00 0.00 C ATOM 643 O PRO A 38 28.078 -3.516 -2.464 1.00 0.00 O ATOM 644 CB PRO A 38 29.542 -4.062 0.688 1.00 0.00 C ATOM 645 CG PRO A 38 29.164 -2.633 1.059 1.00 0.00 C ATOM 646 CD PRO A 38 30.139 -1.813 0.219 1.00 0.00 C ATOM 0 HA PRO A 38 30.523 -4.812 -1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.729 -4.753 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.411 -4.397 1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.126 -2.409 0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.286 -2.443 2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.706 -0.856 -0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.054 -1.595 0.770 1.00 0.00 H new ATOM 654 N ASP A 39 28.148 -5.615 -1.654 1.00 0.00 N ATOM 655 CA ASP A 39 26.899 -6.066 -2.341 1.00 0.00 C ATOM 656 C ASP A 39 25.744 -6.368 -1.330 1.00 0.00 C ATOM 657 O ASP A 39 25.955 -6.522 -0.124 1.00 0.00 O ATOM 658 CB ASP A 39 27.234 -7.284 -3.241 1.00 0.00 C ATOM 659 CG ASP A 39 28.093 -6.953 -4.462 1.00 0.00 C ATOM 660 OD1 ASP A 39 27.653 -6.439 -5.486 1.00 0.00 O ATOM 661 OD2 ASP A 39 29.401 -7.283 -4.281 1.00 0.00 O ATOM 0 H ASP A 39 28.615 -6.351 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 39 26.525 -5.257 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.752 -8.032 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.302 -7.736 -3.580 1.00 0.00 H new ATOM 667 N LYS A 40 24.501 -6.445 -1.832 1.00 0.00 N ATOM 668 CA LYS A 40 23.306 -6.804 -1.024 1.00 0.00 C ATOM 669 C LYS A 40 22.426 -7.826 -1.796 1.00 0.00 C ATOM 670 O LYS A 40 21.906 -7.511 -2.868 1.00 0.00 O ATOM 671 CB LYS A 40 22.491 -5.542 -0.621 1.00 0.00 C ATOM 672 CG LYS A 40 22.938 -4.917 0.714 1.00 0.00 C ATOM 673 CD LYS A 40 22.114 -3.670 1.084 1.00 0.00 C ATOM 674 CE LYS A 40 22.542 -3.017 2.407 1.00 0.00 C ATOM 675 NZ LYS A 40 22.073 -3.785 3.579 1.00 0.00 N ATOM 0 H LYS A 40 24.287 -6.261 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 40 23.645 -7.272 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.581 -4.795 -1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.436 -5.808 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.846 -5.658 1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.992 -4.647 0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 40 22.201 -2.937 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 40 21.062 -3.947 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 40 23.629 -2.937 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.146 -2.003 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.815 -3.129 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.242 -4.351 3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 22.832 -4.417 3.906 1.00 0.00 H new ATOM 688 N GLU A 41 22.194 -9.021 -1.230 1.00 0.00 N ATOM 689 CA GLU A 41 21.104 -9.926 -1.696 1.00 0.00 C ATOM 690 C GLU A 41 19.878 -9.806 -0.740 1.00 0.00 C ATOM 691 O GLU A 41 19.984 -10.114 0.453 1.00 0.00 O ATOM 692 CB GLU A 41 21.633 -11.378 -1.811 1.00 0.00 C ATOM 693 CG GLU A 41 20.685 -12.321 -2.598 1.00 0.00 C ATOM 694 CD GLU A 41 21.237 -13.733 -2.771 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.068 -14.024 -3.628 1.00 0.00 O ATOM 696 OE2 GLU A 41 20.707 -14.622 -1.877 1.00 0.00 O ATOM 0 H GLU A 41 22.738 -9.392 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 41 20.770 -9.630 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.607 -11.364 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 41 21.785 -11.781 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 41 19.727 -12.375 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.492 -11.892 -3.581 1.00 0.00 H new ATOM 704 N ILE A 42 18.719 -9.370 -1.264 1.00 0.00 N ATOM 705 CA ILE A 42 17.463 -9.259 -0.461 1.00 0.00 C ATOM 706 C ILE A 42 16.433 -10.296 -1.016 1.00 0.00 C ATOM 707 O ILE A 42 16.019 -10.220 -2.179 1.00 0.00 O ATOM 708 CB ILE A 42 16.905 -7.792 -0.381 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.931 -6.789 0.227 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.575 -7.735 0.427 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.548 -5.301 0.160 1.00 0.00 C ATOM 0 H ILE A 42 18.614 -9.086 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 42 17.678 -9.501 0.580 1.00 0.00 H new ATOM 0 HB ILE A 42 16.714 -7.488 -1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.092 -7.055 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.884 -6.921 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.215 -6.707 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.828 -8.364 -0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.750 -8.095 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.337 -4.701 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.420 -5.005 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.615 -5.141 0.701 1.00 0.00 H new ATOM 723 N VAL A 43 15.972 -11.216 -0.149 1.00 0.00 N ATOM 724 CA VAL A 43 14.800 -12.095 -0.446 1.00 0.00 C ATOM 725 C VAL A 43 13.595 -11.594 0.419 1.00 0.00 C ATOM 726 O VAL A 43 13.456 -11.963 1.588 1.00 0.00 O ATOM 727 CB VAL A 43 15.173 -13.611 -0.271 1.00 0.00 C ATOM 728 CG1 VAL A 43 13.965 -14.579 -0.332 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.174 -14.099 -1.346 1.00 0.00 C ATOM 0 H VAL A 43 16.387 -11.379 0.768 1.00 0.00 H new ATOM 0 HA VAL A 43 14.495 -12.026 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 43 15.610 -13.640 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.313 -15.604 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.260 -14.332 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 43 13.471 -14.483 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.400 -15.153 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 43 15.735 -13.972 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.093 -13.516 -1.279 1.00 0.00 H new ATOM 739 N GLN A 44 12.712 -10.777 -0.185 1.00 0.00 N ATOM 740 CA GLN A 44 11.368 -10.464 0.374 1.00 0.00 C ATOM 741 C GLN A 44 10.323 -11.523 -0.117 1.00 0.00 C ATOM 742 O GLN A 44 10.066 -11.642 -1.320 1.00 0.00 O ATOM 743 CB GLN A 44 11.009 -9.016 -0.063 1.00 0.00 C ATOM 744 CG GLN A 44 9.727 -8.443 0.599 1.00 0.00 C ATOM 745 CD GLN A 44 9.337 -7.028 0.142 1.00 0.00 C ATOM 746 OE1 GLN A 44 10.159 -6.147 -0.083 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.064 -6.741 0.016 1.00 0.00 N ATOM 0 H GLN A 44 12.902 -10.312 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 44 11.363 -10.515 1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.848 -8.361 0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.883 -8.997 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.896 -9.118 0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.867 -8.434 1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.360 -7.456 0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.778 -5.803 -0.263 1.00 0.00 H new ATOM 756 N ASP A 45 9.724 -12.298 0.804 1.00 0.00 N ATOM 757 CA ASP A 45 8.730 -13.349 0.450 1.00 0.00 C ATOM 758 C ASP A 45 7.605 -13.399 1.534 1.00 0.00 C ATOM 759 O ASP A 45 7.812 -13.938 2.625 1.00 0.00 O ATOM 760 CB ASP A 45 9.493 -14.693 0.270 1.00 0.00 C ATOM 761 CG ASP A 45 8.683 -15.773 -0.440 1.00 0.00 C ATOM 762 OD1 ASP A 45 8.060 -16.650 0.151 1.00 0.00 O ATOM 763 OD2 ASP A 45 8.722 -15.634 -1.799 1.00 0.00 O ATOM 0 H ASP A 45 9.906 -12.222 1.805 1.00 0.00 H new ATOM 0 HA ASP A 45 8.225 -13.130 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.407 -14.508 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.793 -15.063 1.250 1.00 0.00 H new ATOM 769 N GLY A 46 6.421 -12.817 1.245 1.00 0.00 N ATOM 770 CA GLY A 46 5.255 -12.837 2.183 1.00 0.00 C ATOM 771 C GLY A 46 5.472 -12.259 3.601 1.00 0.00 C ATOM 772 O GLY A 46 5.429 -13.004 4.579 1.00 0.00 O ATOM 0 H GLY A 46 6.238 -12.324 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.438 -12.287 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.925 -13.870 2.287 1.00 0.00 H new ATOM 776 N ASP A 47 5.791 -10.957 3.689 1.00 0.00 N ATOM 777 CA ASP A 47 6.340 -10.309 4.925 1.00 0.00 C ATOM 778 C ASP A 47 7.702 -10.815 5.540 1.00 0.00 C ATOM 779 O ASP A 47 8.213 -10.147 6.440 1.00 0.00 O ATOM 780 CB ASP A 47 5.233 -9.985 5.976 1.00 0.00 C ATOM 781 CG ASP A 47 4.806 -11.108 6.924 1.00 0.00 C ATOM 782 OD1 ASP A 47 3.720 -11.675 6.864 1.00 0.00 O ATOM 783 OD2 ASP A 47 5.773 -11.385 7.848 1.00 0.00 O ATOM 0 H ASP A 47 5.680 -10.309 2.909 1.00 0.00 H new ATOM 0 HA ASP A 47 6.706 -9.369 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.579 -9.148 6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.348 -9.645 5.438 1.00 0.00 H new ATOM 789 N HIS A 48 8.280 -11.952 5.112 1.00 0.00 N ATOM 790 CA HIS A 48 9.616 -12.426 5.560 1.00 0.00 C ATOM 791 C HIS A 48 10.730 -11.831 4.647 1.00 0.00 C ATOM 792 O HIS A 48 10.717 -12.011 3.426 1.00 0.00 O ATOM 793 CB HIS A 48 9.612 -13.979 5.600 1.00 0.00 C ATOM 794 CG HIS A 48 10.879 -14.643 6.159 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.534 -15.688 5.522 1.00 0.00 N ATOM 796 CD2 HIS A 48 11.545 -14.301 7.352 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.563 -15.881 6.410 1.00 0.00 C ATOM 798 NE2 HIS A 48 12.654 -15.104 7.531 1.00 0.00 N ATOM 0 H HIS A 48 7.835 -12.577 4.440 1.00 0.00 H new ATOM 0 HA HIS A 48 9.834 -12.076 6.569 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.761 -14.305 6.198 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.449 -14.348 4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.233 -13.521 8.031 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.301 -16.647 6.223 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.343 -15.114 8.283 1.00 0.00 H new ATOM 806 N MET A 49 11.675 -11.103 5.257 1.00 0.00 N ATOM 807 CA MET A 49 12.734 -10.372 4.527 1.00 0.00 C ATOM 808 C MET A 49 14.138 -10.825 5.023 1.00 0.00 C ATOM 809 O MET A 49 14.503 -10.640 6.191 1.00 0.00 O ATOM 810 CB MET A 49 12.458 -8.859 4.692 1.00 0.00 C ATOM 811 CG MET A 49 13.184 -7.974 3.663 1.00 0.00 C ATOM 812 SD MET A 49 12.862 -6.240 4.021 1.00 0.00 S ATOM 813 CE MET A 49 11.233 -6.016 3.282 1.00 0.00 C ATOM 0 H MET A 49 11.732 -11.001 6.270 1.00 0.00 H new ATOM 0 HA MET A 49 12.725 -10.596 3.460 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.385 -8.685 4.612 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.757 -8.553 5.694 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.256 -8.169 3.693 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.844 -8.217 2.656 1.00 0.00 H new ATOM 0 HE1 MET A 49 10.852 -5.026 3.534 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.309 -6.111 2.199 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.552 -6.775 3.666 1.00 0.00 H new ATOM 823 N ILE A 50 14.922 -11.421 4.110 1.00 0.00 N ATOM 824 CA ILE A 50 16.315 -11.866 4.401 1.00 0.00 C ATOM 825 C ILE A 50 17.264 -10.823 3.728 1.00 0.00 C ATOM 826 O ILE A 50 17.501 -10.895 2.518 1.00 0.00 O ATOM 827 CB ILE A 50 16.592 -13.352 3.965 1.00 0.00 C ATOM 828 CG1 ILE A 50 15.510 -14.380 4.425 1.00 0.00 C ATOM 829 CG2 ILE A 50 17.990 -13.805 4.469 1.00 0.00 C ATOM 830 CD1 ILE A 50 15.622 -15.788 3.814 1.00 0.00 C ATOM 0 H ILE A 50 14.621 -11.612 3.154 1.00 0.00 H new ATOM 0 HA ILE A 50 16.495 -11.891 5.476 1.00 0.00 H new ATOM 0 HB ILE A 50 16.554 -13.346 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.560 -14.470 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.527 -13.977 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.171 -14.835 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 50 18.757 -13.159 4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.023 -13.740 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.822 -16.418 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.537 -15.722 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 50 16.586 -16.223 4.077 1.00 0.00 H new ATOM 842 N ILE A 51 17.791 -9.857 4.506 1.00 0.00 N ATOM 843 CA ILE A 51 18.731 -8.816 3.983 1.00 0.00 C ATOM 844 C ILE A 51 20.182 -9.335 4.238 1.00 0.00 C ATOM 845 O ILE A 51 20.637 -9.413 5.385 1.00 0.00 O ATOM 846 CB ILE A 51 18.467 -7.380 4.580 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.018 -6.865 4.317 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.499 -6.334 4.066 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.634 -5.518 4.959 1.00 0.00 C ATOM 0 H ILE A 51 17.588 -9.766 5.502 1.00 0.00 H new ATOM 0 HA ILE A 51 18.571 -8.675 2.914 1.00 0.00 H new ATOM 0 HB ILE A 51 18.588 -7.493 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 51 16.878 -6.780 3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.318 -7.622 4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.278 -5.360 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.504 -6.642 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.438 -6.266 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.604 -5.273 4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.729 -5.591 6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.297 -4.736 4.588 1.00 0.00 H new ATOM 861 N ARG A 52 20.904 -9.664 3.157 1.00 0.00 N ATOM 862 CA ARG A 52 22.306 -10.145 3.239 1.00 0.00 C ATOM 863 C ARG A 52 23.249 -9.050 2.665 1.00 0.00 C ATOM 864 O ARG A 52 23.389 -8.945 1.445 1.00 0.00 O ATOM 865 CB ARG A 52 22.473 -11.475 2.451 1.00 0.00 C ATOM 866 CG ARG A 52 21.525 -12.637 2.818 1.00 0.00 C ATOM 867 CD ARG A 52 21.785 -13.881 1.945 1.00 0.00 C ATOM 868 NE ARG A 52 20.608 -14.789 1.905 1.00 0.00 N ATOM 869 CZ ARG A 52 19.524 -14.606 1.146 1.00 0.00 C ATOM 870 NH1 ARG A 52 19.288 -13.527 0.429 1.00 0.00 N ATOM 871 NH2 ARG A 52 18.633 -15.556 1.113 1.00 0.00 N ATOM 0 H ARG A 52 20.543 -9.608 2.205 1.00 0.00 H new ATOM 0 HA ARG A 52 22.564 -10.338 4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.346 -11.257 1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.498 -11.820 2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.656 -12.896 3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.491 -12.316 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.035 -13.567 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.648 -14.422 2.333 1.00 0.00 H new ATOM 0 HE ARG A 52 20.630 -15.615 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.958 -12.758 0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.435 -13.460 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.775 -16.407 1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.794 -15.448 0.544 1.00 0.00 H new ATOM 885 N THR A 53 23.930 -8.269 3.520 1.00 0.00 N ATOM 886 CA THR A 53 25.056 -7.389 3.081 1.00 0.00 C ATOM 887 C THR A 53 26.336 -8.277 2.938 1.00 0.00 C ATOM 888 O THR A 53 26.739 -8.954 3.889 1.00 0.00 O ATOM 889 CB THR A 53 25.299 -6.191 4.052 1.00 0.00 C ATOM 890 OG1 THR A 53 24.089 -5.609 4.526 1.00 0.00 O ATOM 891 CG2 THR A 53 26.114 -5.042 3.434 1.00 0.00 C ATOM 0 H THR A 53 23.731 -8.220 4.519 1.00 0.00 H new ATOM 0 HA THR A 53 24.799 -6.937 2.123 1.00 0.00 H new ATOM 0 HB THR A 53 25.860 -6.649 4.867 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.298 -4.866 5.130 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.240 -4.248 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.093 -5.413 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.588 -4.650 2.564 1.00 0.00 H new ATOM 899 N LEU A 54 26.917 -8.319 1.734 1.00 0.00 N ATOM 900 CA LEU A 54 27.922 -9.342 1.346 1.00 0.00 C ATOM 901 C LEU A 54 29.226 -8.638 0.861 1.00 0.00 C ATOM 902 O LEU A 54 29.233 -7.894 -0.128 1.00 0.00 O ATOM 903 CB LEU A 54 27.324 -10.264 0.243 1.00 0.00 C ATOM 904 CG LEU A 54 26.128 -11.175 0.645 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.454 -11.758 -0.609 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.541 -12.307 1.605 1.00 0.00 C ATOM 0 H LEU A 54 26.711 -7.649 0.993 1.00 0.00 H new ATOM 0 HA LEU A 54 28.176 -9.963 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.004 -9.634 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.123 -10.903 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 54 25.416 -10.547 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.619 -12.393 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.086 -10.945 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.178 -12.349 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.668 -12.911 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.293 -12.934 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 54 26.955 -11.877 2.517 1.00 0.00 H new ATOM 918 N SER A 55 30.334 -8.886 1.573 1.00 0.00 N ATOM 919 CA SER A 55 31.662 -8.263 1.271 1.00 0.00 C ATOM 920 C SER A 55 32.939 -9.061 1.708 1.00 0.00 C ATOM 921 O SER A 55 34.044 -8.587 1.423 1.00 0.00 O ATOM 922 CB SER A 55 31.748 -6.768 1.723 1.00 0.00 C ATOM 923 OG SER A 55 30.760 -6.340 2.666 1.00 0.00 O ATOM 0 H SER A 55 30.352 -9.518 2.373 1.00 0.00 H new ATOM 0 HA SER A 55 31.687 -8.307 0.182 1.00 0.00 H new ATOM 0 HB2 SER A 55 32.733 -6.596 2.156 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.674 -6.137 0.838 1.00 0.00 H new ATOM 0 HG SER A 55 30.716 -6.980 3.407 1.00 0.00 H new ATOM 929 N THR A 56 32.847 -10.228 2.385 1.00 0.00 N ATOM 930 CA THR A 56 34.029 -11.039 2.843 1.00 0.00 C ATOM 931 C THR A 56 34.745 -10.421 4.092 1.00 0.00 C ATOM 932 O THR A 56 34.738 -11.034 5.162 1.00 0.00 O ATOM 933 CB THR A 56 34.965 -11.527 1.684 1.00 0.00 C ATOM 934 OG1 THR A 56 34.197 -12.205 0.696 1.00 0.00 O ATOM 935 CG2 THR A 56 36.066 -12.517 2.096 1.00 0.00 C ATOM 0 H THR A 56 31.952 -10.647 2.637 1.00 0.00 H new ATOM 0 HA THR A 56 33.623 -11.979 3.216 1.00 0.00 H new ATOM 0 HB THR A 56 35.440 -10.612 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 56 34.786 -12.506 -0.027 1.00 0.00 H new ATOM 0 HG21 THR A 56 36.656 -12.790 1.221 1.00 0.00 H new ATOM 0 HG22 THR A 56 36.714 -12.052 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 56 35.611 -13.412 2.521 1.00 0.00 H new ATOM 943 N PHE A 57 35.315 -9.205 3.976 1.00 0.00 N ATOM 944 CA PHE A 57 35.741 -8.391 5.154 1.00 0.00 C ATOM 945 C PHE A 57 34.580 -7.949 6.116 1.00 0.00 C ATOM 946 O PHE A 57 34.757 -8.050 7.333 1.00 0.00 O ATOM 947 CB PHE A 57 36.600 -7.209 4.617 1.00 0.00 C ATOM 948 CG PHE A 57 37.257 -6.316 5.689 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.388 -6.758 6.385 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.715 -5.061 5.991 1.00 0.00 C ATOM 951 CE1 PHE A 57 38.964 -5.960 7.372 1.00 0.00 C ATOM 952 CE2 PHE A 57 37.299 -4.261 6.969 1.00 0.00 C ATOM 953 CZ PHE A 57 38.418 -4.713 7.663 1.00 0.00 C ATOM 0 H PHE A 57 35.496 -8.755 3.079 1.00 0.00 H new ATOM 0 HA PHE A 57 36.339 -9.019 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.385 -7.615 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.969 -6.583 3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 57 38.817 -7.722 6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.840 -4.712 5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 57 39.833 -6.309 7.910 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.884 -3.289 7.190 1.00 0.00 H new ATOM 0 HZ PHE A 57 38.863 -4.095 8.429 1.00 0.00 H new ATOM 963 N ARG A 58 33.426 -7.466 5.607 1.00 0.00 N ATOM 964 CA ARG A 58 32.237 -7.181 6.459 1.00 0.00 C ATOM 965 C ARG A 58 30.971 -7.877 5.875 1.00 0.00 C ATOM 966 O ARG A 58 30.675 -7.744 4.683 1.00 0.00 O ATOM 967 CB ARG A 58 32.095 -5.642 6.605 1.00 0.00 C ATOM 968 CG ARG A 58 31.073 -5.205 7.682 1.00 0.00 C ATOM 969 CD ARG A 58 31.300 -3.765 8.187 1.00 0.00 C ATOM 970 NE ARG A 58 30.480 -3.494 9.398 1.00 0.00 N ATOM 971 CZ ARG A 58 30.778 -3.901 10.632 1.00 0.00 C ATOM 972 NH1 ARG A 58 31.851 -4.586 10.961 1.00 0.00 N ATOM 973 NH2 ARG A 58 29.938 -3.612 11.575 1.00 0.00 N ATOM 0 H ARG A 58 33.287 -7.264 4.617 1.00 0.00 H new ATOM 0 HA ARG A 58 32.361 -7.596 7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 58 33.069 -5.219 6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 58 31.797 -5.222 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 58 30.066 -5.285 7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 58 31.129 -5.892 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 58 32.355 -3.618 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 58 31.042 -3.055 7.401 1.00 0.00 H new ATOM 0 HE ARG A 58 29.623 -2.955 9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 58 32.530 -4.844 10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 58 32.004 -4.859 11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 58 29.088 -3.092 11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 58 30.127 -3.904 12.534 1.00 0.00 H new ATOM 987 N ASN A 59 30.213 -8.603 6.716 1.00 0.00 N ATOM 988 CA ASN A 59 28.933 -9.245 6.299 1.00 0.00 C ATOM 989 C ASN A 59 27.814 -8.978 7.361 1.00 0.00 C ATOM 990 O ASN A 59 28.032 -9.142 8.567 1.00 0.00 O ATOM 991 CB ASN A 59 29.119 -10.771 6.065 1.00 0.00 C ATOM 992 CG ASN A 59 30.036 -11.193 4.904 1.00 0.00 C ATOM 993 OD1 ASN A 59 30.021 -10.650 3.804 1.00 0.00 O ATOM 994 ND2 ASN A 59 30.834 -12.216 5.083 1.00 0.00 N ATOM 0 H ASN A 59 30.457 -8.766 7.693 1.00 0.00 H new ATOM 0 HA ASN A 59 28.625 -8.799 5.353 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.511 -11.209 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 59 28.136 -11.210 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 59 31.424 -12.543 4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 59 30.866 -12.686 5.988 1.00 0.00 H new ATOM 1001 N TYR A 60 26.604 -8.614 6.903 1.00 0.00 N ATOM 1002 CA TYR A 60 25.392 -8.532 7.776 1.00 0.00 C ATOM 1003 C TYR A 60 24.316 -9.517 7.224 1.00 0.00 C ATOM 1004 O TYR A 60 23.859 -9.350 6.092 1.00 0.00 O ATOM 1005 CB TYR A 60 24.792 -7.095 7.816 1.00 0.00 C ATOM 1006 CG TYR A 60 25.531 -6.013 8.620 1.00 0.00 C ATOM 1007 CD1 TYR A 60 26.456 -5.170 7.994 1.00 0.00 C ATOM 1008 CD2 TYR A 60 25.160 -5.759 9.945 1.00 0.00 C ATOM 1009 CE1 TYR A 60 26.980 -4.074 8.678 1.00 0.00 C ATOM 1010 CE2 TYR A 60 25.688 -4.665 10.627 1.00 0.00 C ATOM 1011 CZ TYR A 60 26.589 -3.817 9.990 1.00 0.00 C ATOM 1012 OH TYR A 60 27.062 -2.708 10.642 1.00 0.00 O ATOM 0 H TYR A 60 26.426 -8.368 5.929 1.00 0.00 H new ATOM 0 HA TYR A 60 25.687 -8.795 8.792 1.00 0.00 H new ATOM 0 HB2 TYR A 60 24.706 -6.743 6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 60 23.780 -7.170 8.213 1.00 0.00 H new ATOM 0 HD1 TYR A 60 26.765 -5.369 6.978 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.460 -6.415 10.442 1.00 0.00 H new ATOM 0 HE1 TYR A 60 27.690 -3.423 8.190 1.00 0.00 H new ATOM 0 HE2 TYR A 60 25.398 -4.475 11.650 1.00 0.00 H new ATOM 0 HH TYR A 60 26.465 -2.487 11.387 1.00 0.00 H new ATOM 1022 N ILE A 61 23.877 -10.509 8.016 1.00 0.00 N ATOM 1023 CA ILE A 61 22.758 -11.426 7.618 1.00 0.00 C ATOM 1024 C ILE A 61 21.548 -11.124 8.566 1.00 0.00 C ATOM 1025 O ILE A 61 21.548 -11.527 9.733 1.00 0.00 O ATOM 1026 CB ILE A 61 23.197 -12.937 7.611 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.470 -13.281 6.774 1.00 0.00 C ATOM 1028 CG2 ILE A 61 22.037 -13.890 7.211 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.402 -13.079 5.248 1.00 0.00 C ATOM 0 H ILE A 61 24.269 -10.709 8.936 1.00 0.00 H new ATOM 0 HA ILE A 61 22.458 -11.240 6.587 1.00 0.00 H new ATOM 0 HB ILE A 61 23.475 -13.104 8.652 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.295 -12.679 7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.723 -14.324 6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.392 -14.920 7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.216 -13.782 7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.687 -13.637 6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.356 -13.358 4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.611 -13.703 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.191 -12.032 5.029 1.00 0.00 H new ATOM 1041 N MET A 62 20.518 -10.427 8.057 1.00 0.00 N ATOM 1042 CA MET A 62 19.310 -10.060 8.848 1.00 0.00 C ATOM 1043 C MET A 62 18.091 -10.876 8.313 1.00 0.00 C ATOM 1044 O MET A 62 17.481 -10.508 7.305 1.00 0.00 O ATOM 1045 CB MET A 62 19.081 -8.524 8.762 1.00 0.00 C ATOM 1046 CG MET A 62 20.127 -7.628 9.458 1.00 0.00 C ATOM 1047 SD MET A 62 19.747 -5.879 9.195 1.00 0.00 S ATOM 1048 CE MET A 62 18.439 -5.595 10.404 1.00 0.00 C ATOM 0 H MET A 62 20.490 -10.099 7.092 1.00 0.00 H new ATOM 0 HA MET A 62 19.443 -10.308 9.901 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.040 -8.244 7.709 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.103 -8.301 9.189 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.146 -7.845 10.526 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.121 -7.852 9.070 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.112 -4.557 10.349 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.596 -6.252 10.190 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.817 -5.804 11.405 1.00 0.00 H new ATOM 1058 N ASP A 63 17.739 -11.985 8.990 1.00 0.00 N ATOM 1059 CA ASP A 63 16.599 -12.863 8.597 1.00 0.00 C ATOM 1060 C ASP A 63 15.363 -12.582 9.512 1.00 0.00 C ATOM 1061 O ASP A 63 15.279 -13.147 10.610 1.00 0.00 O ATOM 1062 CB ASP A 63 17.127 -14.326 8.685 1.00 0.00 C ATOM 1063 CG ASP A 63 16.123 -15.434 8.357 1.00 0.00 C ATOM 1064 OD1 ASP A 63 16.186 -16.135 7.353 1.00 0.00 O ATOM 1065 OD2 ASP A 63 15.154 -15.548 9.318 1.00 0.00 O ATOM 0 H ASP A 63 18.230 -12.305 9.825 1.00 0.00 H new ATOM 0 HA ASP A 63 16.249 -12.672 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.976 -14.424 8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.502 -14.493 9.695 1.00 0.00 H new ATOM 1071 N PHE A 64 14.393 -11.771 9.059 1.00 0.00 N ATOM 1072 CA PHE A 64 13.311 -11.246 9.949 1.00 0.00 C ATOM 1073 C PHE A 64 11.921 -11.156 9.250 1.00 0.00 C ATOM 1074 O PHE A 64 11.822 -11.011 8.028 1.00 0.00 O ATOM 1075 CB PHE A 64 13.746 -9.874 10.555 1.00 0.00 C ATOM 1076 CG PHE A 64 13.936 -8.716 9.555 1.00 0.00 C ATOM 1077 CD1 PHE A 64 12.849 -7.931 9.161 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.167 -8.551 8.917 1.00 0.00 C ATOM 1079 CE1 PHE A 64 12.981 -7.033 8.108 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.301 -7.651 7.867 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.208 -6.887 7.464 1.00 0.00 C ATOM 0 H PHE A 64 14.324 -11.459 8.090 1.00 0.00 H new ATOM 0 HA PHE A 64 13.176 -11.967 10.756 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.000 -9.572 11.290 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.683 -10.019 11.093 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.904 -8.022 9.676 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.021 -9.127 9.242 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.131 -6.448 7.789 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.251 -7.544 7.364 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.312 -6.182 6.653 1.00 0.00 H new ATOM 1091 N GLN A 65 10.833 -11.167 10.038 1.00 0.00 N ATOM 1092 CA GLN A 65 9.481 -10.805 9.530 1.00 0.00 C ATOM 1093 C GLN A 65 9.172 -9.302 9.800 1.00 0.00 C ATOM 1094 O GLN A 65 9.337 -8.807 10.919 1.00 0.00 O ATOM 1095 CB GLN A 65 8.409 -11.759 10.120 1.00 0.00 C ATOM 1096 CG GLN A 65 8.448 -13.182 9.513 1.00 0.00 C ATOM 1097 CD GLN A 65 7.299 -14.090 9.950 1.00 0.00 C ATOM 1098 OE1 GLN A 65 7.329 -14.717 11.003 1.00 0.00 O ATOM 1099 NE2 GLN A 65 6.259 -14.199 9.160 1.00 0.00 N ATOM 0 H GLN A 65 10.853 -11.420 11.026 1.00 0.00 H new ATOM 0 HA GLN A 65 9.458 -10.934 8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.550 -11.829 11.199 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.421 -11.329 9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.436 -13.100 8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.392 -13.654 9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.228 -13.680 8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.480 -14.803 9.423 1.00 0.00 H new ATOM 1108 N VAL A 66 8.700 -8.580 8.766 1.00 0.00 N ATOM 1109 CA VAL A 66 8.374 -7.126 8.857 1.00 0.00 C ATOM 1110 C VAL A 66 7.146 -6.910 9.813 1.00 0.00 C ATOM 1111 O VAL A 66 6.039 -7.390 9.548 1.00 0.00 O ATOM 1112 CB VAL A 66 8.155 -6.519 7.426 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.003 -4.984 7.488 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.279 -6.802 6.395 1.00 0.00 C ATOM 0 H VAL A 66 8.531 -8.978 7.842 1.00 0.00 H new ATOM 0 HA VAL A 66 9.215 -6.587 9.293 1.00 0.00 H new ATOM 0 HB VAL A 66 7.250 -7.022 7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.853 -4.592 6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.145 -4.728 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.904 -4.546 7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.025 -6.337 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.220 -6.390 6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.383 -7.878 6.257 1.00 0.00 H new ATOM 1124 N GLY A 67 7.392 -6.259 10.960 1.00 0.00 N ATOM 1125 CA GLY A 67 6.513 -6.363 12.153 1.00 0.00 C ATOM 1126 C GLY A 67 7.238 -6.745 13.466 1.00 0.00 C ATOM 1127 O GLY A 67 7.074 -6.044 14.466 1.00 0.00 O ATOM 0 H GLY A 67 8.198 -5.648 11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.008 -5.408 12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.740 -7.105 11.953 1.00 0.00 H new ATOM 1131 N LYS A 68 7.978 -7.872 13.502 1.00 0.00 N ATOM 1132 CA LYS A 68 8.534 -8.435 14.758 1.00 0.00 C ATOM 1133 C LYS A 68 9.784 -7.701 15.354 1.00 0.00 C ATOM 1134 O LYS A 68 10.662 -7.224 14.627 1.00 0.00 O ATOM 1135 CB LYS A 68 8.767 -9.957 14.546 1.00 0.00 C ATOM 1136 CG LYS A 68 9.962 -10.439 13.677 1.00 0.00 C ATOM 1137 CD LYS A 68 10.671 -11.668 14.283 1.00 0.00 C ATOM 1138 CE LYS A 68 11.869 -12.157 13.458 1.00 0.00 C ATOM 1139 NZ LYS A 68 12.594 -13.204 14.204 1.00 0.00 N ATOM 0 H LYS A 68 8.208 -8.417 12.671 1.00 0.00 H new ATOM 0 HA LYS A 68 7.792 -8.264 15.538 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.877 -10.410 15.531 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.858 -10.368 14.106 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.605 -10.685 12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.680 -9.626 13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.010 -11.421 15.289 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.951 -12.481 14.379 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.527 -12.550 12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.537 -11.324 13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.405 -13.533 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.934 -12.815 15.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.955 -14.003 14.390 1.00 0.00 H new ATOM 1152 N GLU A 69 9.869 -7.670 16.699 1.00 0.00 N ATOM 1153 CA GLU A 69 11.046 -7.125 17.428 1.00 0.00 C ATOM 1154 C GLU A 69 12.048 -8.270 17.804 1.00 0.00 C ATOM 1155 O GLU A 69 11.762 -9.094 18.678 1.00 0.00 O ATOM 1156 CB GLU A 69 10.520 -6.326 18.650 1.00 0.00 C ATOM 1157 CG GLU A 69 11.618 -5.492 19.353 1.00 0.00 C ATOM 1158 CD GLU A 69 11.095 -4.537 20.423 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.563 -3.459 20.176 1.00 0.00 O ATOM 1160 OE2 GLU A 69 11.293 -5.010 21.684 1.00 0.00 O ATOM 0 H GLU A 69 9.132 -8.018 17.313 1.00 0.00 H new ATOM 0 HA GLU A 69 11.620 -6.444 16.799 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.721 -5.661 18.324 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.084 -7.020 19.369 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.337 -6.172 19.810 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.157 -4.916 18.601 1.00 0.00 H new ATOM 1168 N PHE A 70 13.215 -8.317 17.140 1.00 0.00 N ATOM 1169 CA PHE A 70 14.213 -9.421 17.294 1.00 0.00 C ATOM 1170 C PHE A 70 15.570 -8.932 17.899 1.00 0.00 C ATOM 1171 O PHE A 70 16.065 -7.858 17.554 1.00 0.00 O ATOM 1172 CB PHE A 70 14.391 -10.144 15.923 1.00 0.00 C ATOM 1173 CG PHE A 70 15.081 -9.368 14.779 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.335 -8.526 13.949 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.465 -9.472 14.587 1.00 0.00 C ATOM 1176 CE1 PHE A 70 14.966 -7.783 12.955 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.091 -8.737 13.582 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.340 -7.896 12.767 1.00 0.00 C ATOM 0 H PHE A 70 13.505 -7.597 16.478 1.00 0.00 H new ATOM 0 HA PHE A 70 13.829 -10.138 18.020 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.960 -11.057 16.098 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.404 -10.446 15.574 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.265 -8.452 14.079 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.049 -10.124 15.220 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.389 -7.118 12.329 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.158 -8.820 13.436 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.825 -7.329 11.986 1.00 0.00 H new ATOM 1188 N GLU A 71 16.230 -9.734 18.753 1.00 0.00 N ATOM 1189 CA GLU A 71 17.575 -9.382 19.296 1.00 0.00 C ATOM 1190 C GLU A 71 18.730 -9.456 18.236 1.00 0.00 C ATOM 1191 O GLU A 71 19.075 -10.543 17.754 1.00 0.00 O ATOM 1192 CB GLU A 71 17.877 -10.200 20.587 1.00 0.00 C ATOM 1193 CG GLU A 71 17.883 -11.751 20.497 1.00 0.00 C ATOM 1194 CD GLU A 71 18.447 -12.432 21.741 1.00 0.00 C ATOM 1195 OE1 GLU A 71 19.648 -12.547 21.969 1.00 0.00 O ATOM 1196 OE2 GLU A 71 17.472 -12.901 22.568 1.00 0.00 O ATOM 0 H GLU A 71 15.866 -10.627 19.087 1.00 0.00 H new ATOM 0 HA GLU A 71 17.538 -8.328 19.571 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.852 -9.886 20.958 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.142 -9.914 21.340 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.864 -12.101 20.331 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.469 -12.054 19.629 1.00 0.00 H new ATOM 1204 N GLU A 72 19.380 -8.313 17.921 1.00 0.00 N ATOM 1205 CA GLU A 72 20.659 -8.297 17.148 1.00 0.00 C ATOM 1206 C GLU A 72 21.806 -8.840 18.062 1.00 0.00 C ATOM 1207 O GLU A 72 22.276 -8.152 18.972 1.00 0.00 O ATOM 1208 CB GLU A 72 20.935 -6.861 16.607 1.00 0.00 C ATOM 1209 CG GLU A 72 21.904 -6.748 15.395 1.00 0.00 C ATOM 1210 CD GLU A 72 23.351 -7.214 15.597 1.00 0.00 C ATOM 1211 OE1 GLU A 72 24.283 -6.472 15.895 1.00 0.00 O ATOM 1212 OE2 GLU A 72 23.489 -8.555 15.392 1.00 0.00 O ATOM 0 H GLU A 72 19.046 -7.386 18.186 1.00 0.00 H new ATOM 0 HA GLU A 72 20.596 -8.948 16.276 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.982 -6.414 16.324 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.338 -6.261 17.423 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.479 -7.320 14.570 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.928 -5.705 15.080 1.00 0.00 H new ATOM 1220 N ASP A 73 22.162 -10.120 17.877 1.00 0.00 N ATOM 1221 CA ASP A 73 22.820 -10.932 18.938 1.00 0.00 C ATOM 1222 C ASP A 73 24.243 -11.450 18.532 1.00 0.00 C ATOM 1223 O ASP A 73 24.922 -10.844 17.695 1.00 0.00 O ATOM 1224 CB ASP A 73 21.749 -11.951 19.441 1.00 0.00 C ATOM 1225 CG ASP A 73 21.363 -13.093 18.496 1.00 0.00 C ATOM 1226 OD1 ASP A 73 21.956 -14.167 18.481 1.00 0.00 O ATOM 1227 OD2 ASP A 73 20.304 -12.782 17.684 1.00 0.00 O ATOM 0 H ASP A 73 22.009 -10.625 17.004 1.00 0.00 H new ATOM 0 HA ASP A 73 23.115 -10.345 19.808 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.113 -12.391 20.370 1.00 0.00 H new ATOM 0 HB3 ASP A 73 20.844 -11.395 19.685 1.00 0.00 H new ATOM 1233 N LEU A 74 24.741 -12.507 19.210 1.00 0.00 N ATOM 1234 CA LEU A 74 26.149 -13.010 19.079 1.00 0.00 C ATOM 1235 C LEU A 74 27.245 -11.918 19.351 1.00 0.00 C ATOM 1236 O LEU A 74 28.012 -11.554 18.457 1.00 0.00 O ATOM 1237 CB LEU A 74 26.357 -13.801 17.747 1.00 0.00 C ATOM 1238 CG LEU A 74 25.458 -15.039 17.478 1.00 0.00 C ATOM 1239 CD1 LEU A 74 25.693 -15.565 16.051 1.00 0.00 C ATOM 1240 CD2 LEU A 74 25.691 -16.181 18.484 1.00 0.00 C ATOM 0 H LEU A 74 24.183 -13.047 19.871 1.00 0.00 H new ATOM 0 HA LEU A 74 26.296 -13.726 19.887 1.00 0.00 H new ATOM 0 HB2 LEU A 74 26.218 -13.104 16.921 1.00 0.00 H new ATOM 0 HB3 LEU A 74 27.395 -14.131 17.715 1.00 0.00 H new ATOM 0 HG LEU A 74 24.427 -14.704 17.596 1.00 0.00 H new ATOM 0 HD11 LEU A 74 25.058 -16.433 15.874 1.00 0.00 H new ATOM 0 HD12 LEU A 74 25.450 -14.784 15.331 1.00 0.00 H new ATOM 0 HD13 LEU A 74 26.738 -15.851 15.936 1.00 0.00 H new ATOM 0 HD21 LEU A 74 25.034 -17.017 18.244 1.00 0.00 H new ATOM 0 HD22 LEU A 74 26.729 -16.508 18.429 1.00 0.00 H new ATOM 0 HD23 LEU A 74 25.475 -15.828 19.492 1.00 0.00 H new ATOM 1252 N THR A 75 27.247 -11.338 20.571 1.00 0.00 N ATOM 1253 CA THR A 75 27.998 -10.081 20.912 1.00 0.00 C ATOM 1254 C THR A 75 27.769 -8.756 20.085 1.00 0.00 C ATOM 1255 O THR A 75 28.371 -7.739 20.445 1.00 0.00 O ATOM 1256 CB THR A 75 29.490 -10.352 21.294 1.00 0.00 C ATOM 1257 OG1 THR A 75 29.992 -9.232 22.013 1.00 0.00 O ATOM 1258 CG2 THR A 75 30.471 -10.590 20.135 1.00 0.00 C ATOM 0 H THR A 75 26.728 -11.721 21.361 1.00 0.00 H new ATOM 0 HA THR A 75 27.452 -9.781 21.806 1.00 0.00 H new ATOM 0 HB THR A 75 29.447 -11.281 21.862 1.00 0.00 H new ATOM 0 HG1 THR A 75 29.576 -8.412 21.673 1.00 0.00 H new ATOM 0 HG21 THR A 75 31.470 -10.765 20.534 1.00 0.00 H new ATOM 0 HG22 THR A 75 30.152 -11.460 19.561 1.00 0.00 H new ATOM 0 HG23 THR A 75 30.488 -9.714 19.487 1.00 0.00 H new ATOM 1266 N GLY A 76 26.922 -8.735 19.037 1.00 0.00 N ATOM 1267 CA GLY A 76 26.759 -7.557 18.144 1.00 0.00 C ATOM 1268 C GLY A 76 27.716 -7.505 16.932 1.00 0.00 C ATOM 1269 O GLY A 76 28.879 -7.904 17.018 1.00 0.00 O ATOM 0 H GLY A 76 26.332 -9.527 18.782 1.00 0.00 H new ATOM 0 HA2 GLY A 76 25.733 -7.541 17.776 1.00 0.00 H new ATOM 0 HA3 GLY A 76 26.900 -6.652 18.735 1.00 0.00 H new ATOM 1273 N ILE A 77 27.229 -6.963 15.804 1.00 0.00 N ATOM 1274 CA ILE A 77 28.051 -6.824 14.554 1.00 0.00 C ATOM 1275 C ILE A 77 28.809 -5.445 14.526 1.00 0.00 C ATOM 1276 O ILE A 77 30.036 -5.437 14.396 1.00 0.00 O ATOM 1277 CB ILE A 77 27.211 -7.168 13.265 1.00 0.00 C ATOM 1278 CG1 ILE A 77 26.569 -8.594 13.284 1.00 0.00 C ATOM 1279 CG2 ILE A 77 28.058 -7.046 11.967 1.00 0.00 C ATOM 1280 CD1 ILE A 77 25.348 -8.767 12.360 1.00 0.00 C ATOM 0 H ILE A 77 26.276 -6.610 15.715 1.00 0.00 H new ATOM 0 HA ILE A 77 28.843 -7.573 14.559 1.00 0.00 H new ATOM 0 HB ILE A 77 26.410 -6.429 13.271 1.00 0.00 H new ATOM 0 HG12 ILE A 77 27.328 -9.322 12.999 1.00 0.00 H new ATOM 0 HG13 ILE A 77 26.270 -8.828 14.306 1.00 0.00 H new ATOM 0 HG21 ILE A 77 27.439 -7.292 11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 77 28.428 -6.026 11.869 1.00 0.00 H new ATOM 0 HG23 ILE A 77 28.901 -7.735 12.017 1.00 0.00 H new ATOM 0 HD11 ILE A 77 24.972 -9.787 12.441 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.566 -8.067 12.656 1.00 0.00 H new ATOM 0 HD13 ILE A 77 25.641 -8.569 11.329 1.00 0.00 H new ATOM 1292 N ASP A 78 28.115 -4.292 14.631 1.00 0.00 N ATOM 1293 CA ASP A 78 28.752 -2.955 14.787 1.00 0.00 C ATOM 1294 C ASP A 78 29.028 -2.575 16.279 1.00 0.00 C ATOM 1295 O ASP A 78 30.195 -2.485 16.664 1.00 0.00 O ATOM 1296 CB ASP A 78 27.961 -1.901 13.962 1.00 0.00 C ATOM 1297 CG ASP A 78 26.431 -1.851 14.114 1.00 0.00 C ATOM 1298 OD1 ASP A 78 25.863 -1.616 15.171 1.00 0.00 O ATOM 1299 OD2 ASP A 78 25.774 -2.104 12.946 1.00 0.00 O ATOM 0 H ASP A 78 27.096 -4.256 14.611 1.00 0.00 H new ATOM 0 HA ASP A 78 29.757 -2.985 14.366 1.00 0.00 H new ATOM 0 HB2 ASP A 78 28.352 -0.917 14.219 1.00 0.00 H new ATOM 0 HB3 ASP A 78 28.185 -2.068 12.908 1.00 0.00 H new ATOM 1305 N ASP A 79 27.991 -2.357 17.109 1.00 0.00 N ATOM 1306 CA ASP A 79 28.160 -2.085 18.561 1.00 0.00 C ATOM 1307 C ASP A 79 27.914 -3.389 19.393 1.00 0.00 C ATOM 1308 O ASP A 79 28.822 -4.220 19.476 1.00 0.00 O ATOM 1309 CB ASP A 79 27.316 -0.818 18.869 1.00 0.00 C ATOM 1310 CG ASP A 79 27.428 -0.325 20.304 1.00 0.00 C ATOM 1311 OD1 ASP A 79 26.559 -0.523 21.149 1.00 0.00 O ATOM 1312 OD2 ASP A 79 28.595 0.343 20.531 1.00 0.00 O ATOM 0 H ASP A 79 27.018 -2.363 16.802 1.00 0.00 H new ATOM 0 HA ASP A 79 29.175 -1.836 18.869 1.00 0.00 H new ATOM 0 HB2 ASP A 79 27.625 -0.017 18.197 1.00 0.00 H new ATOM 0 HB3 ASP A 79 26.269 -1.031 18.651 1.00 0.00 H new ATOM 1318 N ARG A 80 26.741 -3.567 20.034 1.00 0.00 N ATOM 1319 CA ARG A 80 26.469 -4.740 20.910 1.00 0.00 C ATOM 1320 C ARG A 80 24.995 -5.233 20.707 1.00 0.00 C ATOM 1321 O ARG A 80 24.628 -5.555 19.572 1.00 0.00 O ATOM 1322 CB ARG A 80 26.995 -4.424 22.344 1.00 0.00 C ATOM 1323 CG ARG A 80 27.248 -5.681 23.211 1.00 0.00 C ATOM 1324 CD ARG A 80 27.891 -5.350 24.570 1.00 0.00 C ATOM 1325 NE ARG A 80 27.936 -6.564 25.430 1.00 0.00 N ATOM 1326 CZ ARG A 80 28.966 -7.402 25.538 1.00 0.00 C ATOM 1327 NH1 ARG A 80 30.117 -7.256 24.919 1.00 0.00 N ATOM 1328 NH2 ARG A 80 28.819 -8.441 26.313 1.00 0.00 N ATOM 0 H ARG A 80 25.960 -2.914 19.965 1.00 0.00 H new ATOM 0 HA ARG A 80 27.027 -5.637 20.642 1.00 0.00 H new ATOM 0 HB2 ARG A 80 27.923 -3.858 22.263 1.00 0.00 H new ATOM 0 HB3 ARG A 80 26.274 -3.784 22.852 1.00 0.00 H new ATOM 0 HG2 ARG A 80 26.303 -6.198 23.378 1.00 0.00 H new ATOM 0 HG3 ARG A 80 27.895 -6.368 22.666 1.00 0.00 H new ATOM 0 HD2 ARG A 80 28.900 -4.966 24.419 1.00 0.00 H new ATOM 0 HD3 ARG A 80 27.322 -4.565 25.067 1.00 0.00 H new ATOM 0 HE ARG A 80 27.106 -6.772 25.985 1.00 0.00 H new ATOM 0 HH11 ARG A 80 30.268 -6.456 24.304 1.00 0.00 H new ATOM 0 HH12 ARG A 80 30.859 -7.943 25.054 1.00 0.00 H new ATOM 0 HH21 ARG A 80 27.940 -8.587 26.809 1.00 0.00 H new ATOM 0 HH22 ARG A 80 29.583 -9.107 26.423 1.00 0.00 H new ATOM 1342 N LYS A 81 24.155 -5.336 21.755 1.00 0.00 N ATOM 1343 CA LYS A 81 22.832 -6.019 21.667 1.00 0.00 C ATOM 1344 C LYS A 81 21.649 -5.002 21.665 1.00 0.00 C ATOM 1345 O LYS A 81 21.469 -4.211 22.600 1.00 0.00 O ATOM 1346 CB LYS A 81 22.696 -7.077 22.798 1.00 0.00 C ATOM 1347 CG LYS A 81 23.589 -8.327 22.609 1.00 0.00 C ATOM 1348 CD LYS A 81 23.375 -9.394 23.703 1.00 0.00 C ATOM 1349 CE LYS A 81 24.239 -10.659 23.538 1.00 0.00 C ATOM 1350 NZ LYS A 81 25.664 -10.398 23.835 1.00 0.00 N ATOM 0 H LYS A 81 24.362 -4.956 22.679 1.00 0.00 H new ATOM 0 HA LYS A 81 22.782 -6.541 20.712 1.00 0.00 H new ATOM 0 HB2 LYS A 81 22.944 -6.608 23.750 1.00 0.00 H new ATOM 0 HB3 LYS A 81 21.655 -7.394 22.860 1.00 0.00 H new ATOM 0 HG2 LYS A 81 23.384 -8.769 21.634 1.00 0.00 H new ATOM 0 HG3 LYS A 81 24.635 -8.022 22.607 1.00 0.00 H new ATOM 0 HD2 LYS A 81 23.588 -8.948 24.675 1.00 0.00 H new ATOM 0 HD3 LYS A 81 22.325 -9.685 23.709 1.00 0.00 H new ATOM 0 HE2 LYS A 81 23.868 -11.441 24.201 1.00 0.00 H new ATOM 0 HE3 LYS A 81 24.144 -11.033 22.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 26.240 -11.199 23.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 25.967 -9.530 23.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 25.789 -10.281 24.861 1.00 0.00 H new ATOM 1363 N CYS A 82 20.832 -5.050 20.597 1.00 0.00 N ATOM 1364 CA CYS A 82 19.624 -4.199 20.451 1.00 0.00 C ATOM 1365 C CYS A 82 18.399 -5.028 19.949 1.00 0.00 C ATOM 1366 O CYS A 82 18.461 -5.759 18.952 1.00 0.00 O ATOM 1367 CB CYS A 82 19.945 -3.023 19.506 1.00 0.00 C ATOM 1368 SG CYS A 82 20.848 -1.706 20.392 1.00 0.00 S ATOM 0 H CYS A 82 20.986 -5.678 19.808 1.00 0.00 H new ATOM 0 HA CYS A 82 19.347 -3.800 21.427 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.543 -3.378 18.666 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.020 -2.621 19.092 1.00 0.00 H new ATOM 0 HG CYS A 82 20.163 -0.602 20.344 1.00 0.00 H new ATOM 1374 N MET A 83 17.254 -4.849 20.628 1.00 0.00 N ATOM 1375 CA MET A 83 15.945 -5.412 20.203 1.00 0.00 C ATOM 1376 C MET A 83 15.396 -4.608 18.981 1.00 0.00 C ATOM 1377 O MET A 83 15.083 -3.419 19.076 1.00 0.00 O ATOM 1378 CB MET A 83 14.985 -5.370 21.423 1.00 0.00 C ATOM 1379 CG MET A 83 15.235 -6.437 22.510 1.00 0.00 C ATOM 1380 SD MET A 83 15.029 -8.104 21.839 1.00 0.00 S ATOM 1381 CE MET A 83 13.256 -8.358 22.037 1.00 0.00 C ATOM 0 H MET A 83 17.201 -4.309 21.492 1.00 0.00 H new ATOM 0 HA MET A 83 16.045 -6.447 19.878 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.056 -4.385 21.884 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.963 -5.479 21.061 1.00 0.00 H new ATOM 0 HG2 MET A 83 16.242 -6.324 22.911 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.543 -6.286 23.339 1.00 0.00 H new ATOM 0 HE1 MET A 83 12.942 -9.212 21.437 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.031 -8.549 23.086 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.722 -7.467 21.708 1.00 0.00 H new ATOM 1391 N THR A 84 15.376 -5.248 17.806 1.00 0.00 N ATOM 1392 CA THR A 84 15.278 -4.548 16.501 1.00 0.00 C ATOM 1393 C THR A 84 13.881 -4.775 15.859 1.00 0.00 C ATOM 1394 O THR A 84 13.530 -5.897 15.486 1.00 0.00 O ATOM 1395 CB THR A 84 16.454 -5.001 15.587 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.706 -4.748 16.228 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.475 -4.236 14.255 1.00 0.00 C ATOM 0 H THR A 84 15.427 -6.263 17.723 1.00 0.00 H new ATOM 0 HA THR A 84 15.370 -3.471 16.644 1.00 0.00 H new ATOM 0 HB THR A 84 16.306 -6.065 15.401 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.767 -5.281 17.048 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.311 -4.584 13.649 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.542 -4.411 13.720 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.587 -3.169 14.450 1.00 0.00 H new ATOM 1405 N THR A 85 13.115 -3.688 15.697 1.00 0.00 N ATOM 1406 CA THR A 85 11.780 -3.720 15.032 1.00 0.00 C ATOM 1407 C THR A 85 11.921 -3.112 13.605 1.00 0.00 C ATOM 1408 O THR A 85 12.377 -1.972 13.461 1.00 0.00 O ATOM 1409 CB THR A 85 10.754 -2.921 15.885 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.670 -3.454 17.199 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.313 -2.943 15.345 1.00 0.00 C ATOM 0 H THR A 85 13.390 -2.760 16.017 1.00 0.00 H new ATOM 0 HA THR A 85 11.419 -4.745 14.946 1.00 0.00 H new ATOM 0 HB THR A 85 11.134 -1.900 15.856 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.021 -2.937 17.721 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.669 -2.360 16.004 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.293 -2.512 14.344 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.955 -3.972 15.305 1.00 0.00 H new ATOM 1419 N VAL A 86 11.495 -3.854 12.568 1.00 0.00 N ATOM 1420 CA VAL A 86 11.531 -3.366 11.155 1.00 0.00 C ATOM 1421 C VAL A 86 10.063 -3.313 10.625 1.00 0.00 C ATOM 1422 O VAL A 86 9.398 -4.350 10.564 1.00 0.00 O ATOM 1423 CB VAL A 86 12.456 -4.233 10.233 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.669 -3.554 8.863 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.865 -4.540 10.782 1.00 0.00 C ATOM 0 H VAL A 86 11.119 -4.797 12.670 1.00 0.00 H new ATOM 0 HA VAL A 86 11.972 -2.369 11.134 1.00 0.00 H new ATOM 0 HB VAL A 86 11.910 -5.174 10.166 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.314 -4.178 8.244 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.707 -3.424 8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.137 -2.580 9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.413 -5.145 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.400 -3.606 10.953 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.778 -5.086 11.721 1.00 0.00 H new ATOM 1435 N SER A 87 9.567 -2.125 10.231 1.00 0.00 N ATOM 1436 CA SER A 87 8.143 -1.923 9.827 1.00 0.00 C ATOM 1437 C SER A 87 8.008 -0.958 8.602 1.00 0.00 C ATOM 1438 O SER A 87 8.811 -0.037 8.418 1.00 0.00 O ATOM 1439 CB SER A 87 7.340 -1.396 11.045 1.00 0.00 C ATOM 1440 OG SER A 87 7.197 -2.411 12.041 1.00 0.00 O ATOM 0 H SER A 87 10.130 -1.276 10.180 1.00 0.00 H new ATOM 0 HA SER A 87 7.735 -2.882 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.847 -0.531 11.472 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.356 -1.060 10.719 1.00 0.00 H new ATOM 0 HG SER A 87 6.689 -2.055 12.800 1.00 0.00 H new ATOM 1446 N TRP A 88 6.966 -1.135 7.763 1.00 0.00 N ATOM 1447 CA TRP A 88 6.719 -0.240 6.592 1.00 0.00 C ATOM 1448 C TRP A 88 6.038 1.112 6.993 1.00 0.00 C ATOM 1449 O TRP A 88 4.897 1.136 7.465 1.00 0.00 O ATOM 1450 CB TRP A 88 5.843 -0.945 5.514 1.00 0.00 C ATOM 1451 CG TRP A 88 6.492 -2.097 4.738 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.135 -3.458 4.837 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.440 -2.035 3.733 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.874 -4.260 3.944 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.672 -3.356 3.268 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.070 -0.930 3.101 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.552 -3.582 2.186 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.915 -1.181 2.020 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.163 -2.486 1.577 1.00 0.00 C ATOM 0 H TRP A 88 6.280 -1.883 7.866 1.00 0.00 H new ATOM 0 HA TRP A 88 7.704 -0.017 6.181 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.947 -1.327 6.002 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.518 -0.192 4.795 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.386 -3.839 5.515 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.830 -5.272 3.824 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.899 0.078 3.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.748 -4.585 1.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.388 -0.352 1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.839 -2.647 0.750 1.00 0.00 H new ATOM 1470 N ASP A 89 6.709 2.242 6.714 1.00 0.00 N ATOM 1471 CA ASP A 89 6.068 3.587 6.694 1.00 0.00 C ATOM 1472 C ASP A 89 5.615 3.923 5.232 1.00 0.00 C ATOM 1473 O ASP A 89 6.301 4.637 4.492 1.00 0.00 O ATOM 1474 CB ASP A 89 7.107 4.561 7.310 1.00 0.00 C ATOM 1475 CG ASP A 89 6.625 5.993 7.527 1.00 0.00 C ATOM 1476 OD1 ASP A 89 7.078 6.967 6.935 1.00 0.00 O ATOM 1477 OD2 ASP A 89 5.646 6.072 8.470 1.00 0.00 O ATOM 0 H ASP A 89 7.705 2.260 6.496 1.00 0.00 H new ATOM 0 HA ASP A 89 5.154 3.655 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.432 4.157 8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.983 4.586 6.662 1.00 0.00 H new ATOM 1483 N GLY A 90 4.475 3.344 4.804 1.00 0.00 N ATOM 1484 CA GLY A 90 4.016 3.409 3.388 1.00 0.00 C ATOM 1485 C GLY A 90 4.906 2.631 2.390 1.00 0.00 C ATOM 1486 O GLY A 90 4.812 1.407 2.286 1.00 0.00 O ATOM 0 H GLY A 90 3.848 2.822 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.000 3.019 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.974 4.454 3.080 1.00 0.00 H new ATOM 1490 N ASP A 91 5.788 3.362 1.696 1.00 0.00 N ATOM 1491 CA ASP A 91 6.866 2.762 0.844 1.00 0.00 C ATOM 1492 C ASP A 91 8.318 2.768 1.445 1.00 0.00 C ATOM 1493 O ASP A 91 9.208 2.166 0.837 1.00 0.00 O ATOM 1494 CB ASP A 91 6.826 3.447 -0.553 1.00 0.00 C ATOM 1495 CG ASP A 91 5.596 3.080 -1.382 1.00 0.00 C ATOM 1496 OD1 ASP A 91 4.617 3.806 -1.517 1.00 0.00 O ATOM 1497 OD2 ASP A 91 5.693 1.826 -1.901 1.00 0.00 O ATOM 0 H ASP A 91 5.789 4.382 1.698 1.00 0.00 H new ATOM 0 HA ASP A 91 6.640 1.698 0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.853 4.528 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.723 3.172 -1.108 1.00 0.00 H new ATOM 1503 N LYS A 92 8.575 3.398 2.608 1.00 0.00 N ATOM 1504 CA LYS A 92 9.908 3.381 3.272 1.00 0.00 C ATOM 1505 C LYS A 92 9.938 2.286 4.381 1.00 0.00 C ATOM 1506 O LYS A 92 9.086 2.263 5.275 1.00 0.00 O ATOM 1507 CB LYS A 92 10.213 4.772 3.892 1.00 0.00 C ATOM 1508 CG LYS A 92 10.290 5.971 2.915 1.00 0.00 C ATOM 1509 CD LYS A 92 10.703 7.314 3.566 1.00 0.00 C ATOM 1510 CE LYS A 92 9.851 7.809 4.754 1.00 0.00 C ATOM 1511 NZ LYS A 92 8.438 8.037 4.382 1.00 0.00 N ATOM 0 H LYS A 92 7.872 3.933 3.118 1.00 0.00 H new ATOM 0 HA LYS A 92 10.670 3.152 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.445 4.988 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.162 4.706 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.002 5.732 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.317 6.098 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.735 7.223 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.687 8.083 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.897 7.077 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.276 8.736 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.819 7.691 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.276 9.054 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.224 7.526 3.502 1.00 0.00 H new ATOM 1524 N LEU A 93 10.937 1.394 4.356 1.00 0.00 N ATOM 1525 CA LEU A 93 11.129 0.376 5.420 1.00 0.00 C ATOM 1526 C LEU A 93 11.941 0.988 6.608 1.00 0.00 C ATOM 1527 O LEU A 93 13.129 1.302 6.478 1.00 0.00 O ATOM 1528 CB LEU A 93 11.794 -0.859 4.758 1.00 0.00 C ATOM 1529 CG LEU A 93 11.882 -2.130 5.637 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.507 -2.792 5.841 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.833 -3.152 5.001 1.00 0.00 C ATOM 0 H LEU A 93 11.632 1.350 3.611 1.00 0.00 H new ATOM 0 HA LEU A 93 10.186 0.053 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.240 -1.104 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.802 -0.583 4.450 1.00 0.00 H new ATOM 0 HG LEU A 93 12.260 -1.815 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.619 -3.679 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.833 -2.088 6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.094 -3.078 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.885 -4.041 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.463 -3.428 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.827 -2.715 4.907 1.00 0.00 H new ATOM 1543 N GLN A 94 11.267 1.189 7.750 1.00 0.00 N ATOM 1544 CA GLN A 94 11.853 1.843 8.949 1.00 0.00 C ATOM 1545 C GLN A 94 12.348 0.783 9.970 1.00 0.00 C ATOM 1546 O GLN A 94 11.570 -0.068 10.414 1.00 0.00 O ATOM 1547 CB GLN A 94 10.778 2.745 9.616 1.00 0.00 C ATOM 1548 CG GLN A 94 10.463 4.050 8.862 1.00 0.00 C ATOM 1549 CD GLN A 94 11.597 5.078 8.866 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.737 4.878 9.277 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.327 6.211 8.306 1.00 0.00 N ATOM 0 H GLN A 94 10.296 0.905 7.877 1.00 0.00 H new ATOM 0 HA GLN A 94 12.706 2.446 8.638 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.857 2.171 9.718 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.111 2.996 10.623 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.215 3.806 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.577 4.505 9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.386 6.397 7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.055 6.920 8.212 1.00 0.00 H new ATOM 1560 N CYS A 95 13.622 0.866 10.374 1.00 0.00 N ATOM 1561 CA CYS A 95 14.201 -0.007 11.419 1.00 0.00 C ATOM 1562 C CYS A 95 14.580 0.833 12.668 1.00 0.00 C ATOM 1563 O CYS A 95 15.389 1.764 12.577 1.00 0.00 O ATOM 1564 CB CYS A 95 15.429 -0.712 10.817 1.00 0.00 C ATOM 1565 SG CYS A 95 16.105 -1.984 11.939 1.00 0.00 S ATOM 0 H CYS A 95 14.286 1.538 9.989 1.00 0.00 H new ATOM 0 HA CYS A 95 13.478 -0.755 11.744 1.00 0.00 H new ATOM 0 HB2 CYS A 95 15.153 -1.174 9.869 1.00 0.00 H new ATOM 0 HB3 CYS A 95 16.201 0.026 10.599 1.00 0.00 H new ATOM 0 HG CYS A 95 17.072 -2.618 11.344 1.00 0.00 H new ATOM 1571 N VAL A 96 14.051 0.460 13.844 1.00 0.00 N ATOM 1572 CA VAL A 96 14.555 0.973 15.152 1.00 0.00 C ATOM 1573 C VAL A 96 15.341 -0.166 15.884 1.00 0.00 C ATOM 1574 O VAL A 96 14.781 -1.219 16.204 1.00 0.00 O ATOM 1575 CB VAL A 96 13.413 1.654 15.983 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.268 0.726 16.450 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.958 2.416 17.211 1.00 0.00 C ATOM 0 H VAL A 96 13.274 -0.195 13.928 1.00 0.00 H new ATOM 0 HA VAL A 96 15.270 1.781 14.998 1.00 0.00 H new ATOM 0 HB VAL A 96 12.979 2.344 15.260 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.537 1.305 17.014 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.784 0.280 15.581 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.674 -0.062 17.084 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.130 2.870 17.754 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.484 1.722 17.866 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.645 3.195 16.880 1.00 0.00 H new ATOM 1587 N GLN A 97 16.641 0.052 16.142 1.00 0.00 N ATOM 1588 CA GLN A 97 17.492 -0.877 16.940 1.00 0.00 C ATOM 1589 C GLN A 97 17.574 -0.343 18.408 1.00 0.00 C ATOM 1590 O GLN A 97 18.477 0.424 18.757 1.00 0.00 O ATOM 1591 CB GLN A 97 18.892 -0.951 16.260 1.00 0.00 C ATOM 1592 CG GLN A 97 18.990 -1.713 14.914 1.00 0.00 C ATOM 1593 CD GLN A 97 20.298 -1.483 14.146 1.00 0.00 C ATOM 1594 OE1 GLN A 97 21.377 -1.930 14.523 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.263 -0.773 13.044 1.00 0.00 N ATOM 0 H GLN A 97 17.142 0.875 15.808 1.00 0.00 H new ATOM 0 HA GLN A 97 17.075 -1.883 16.976 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.242 0.068 16.097 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.584 -1.417 16.962 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.879 -2.780 15.106 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.154 -1.415 14.281 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.378 -0.391 12.711 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.121 -0.603 12.520 1.00 0.00 H new ATOM 1604 N LYS A 98 16.622 -0.735 19.274 1.00 0.00 N ATOM 1605 CA LYS A 98 16.523 -0.199 20.664 1.00 0.00 C ATOM 1606 C LYS A 98 17.154 -1.162 21.722 1.00 0.00 C ATOM 1607 O LYS A 98 16.813 -2.344 21.813 1.00 0.00 O ATOM 1608 CB LYS A 98 15.056 0.205 20.982 1.00 0.00 C ATOM 1609 CG LYS A 98 14.001 -0.926 20.978 1.00 0.00 C ATOM 1610 CD LYS A 98 12.564 -0.487 21.311 1.00 0.00 C ATOM 1611 CE LYS A 98 11.852 0.248 20.164 1.00 0.00 C ATOM 1612 NZ LYS A 98 10.502 0.663 20.591 1.00 0.00 N ATOM 0 H LYS A 98 15.904 -1.422 19.045 1.00 0.00 H new ATOM 0 HA LYS A 98 17.124 0.708 20.727 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.040 0.680 21.963 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.747 0.959 20.258 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.001 -1.397 19.995 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.306 -1.687 21.696 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.980 -1.367 21.583 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.587 0.163 22.186 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.432 1.121 19.865 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.783 -0.402 19.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.028 1.159 19.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.948 -0.177 20.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.577 1.299 21.410 1.00 0.00 H new ATOM 1625 N GLY A 99 18.072 -0.639 22.542 1.00 0.00 N ATOM 1626 CA GLY A 99 18.689 -1.417 23.649 1.00 0.00 C ATOM 1627 C GLY A 99 19.935 -0.736 24.237 1.00 0.00 C ATOM 1628 O GLY A 99 19.810 0.269 24.940 1.00 0.00 O ATOM 0 H GLY A 99 18.412 0.320 22.469 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.953 -1.561 24.440 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.961 -2.407 23.283 1.00 0.00 H new ATOM 1632 N GLU A 100 21.132 -1.273 23.955 1.00 0.00 N ATOM 1633 CA GLU A 100 22.410 -0.722 24.513 1.00 0.00 C ATOM 1634 C GLU A 100 22.987 0.592 23.865 1.00 0.00 C ATOM 1635 O GLU A 100 23.915 1.174 24.433 1.00 0.00 O ATOM 1636 CB GLU A 100 23.470 -1.862 24.527 1.00 0.00 C ATOM 1637 CG GLU A 100 23.154 -3.045 25.480 1.00 0.00 C ATOM 1638 CD GLU A 100 24.268 -4.082 25.567 1.00 0.00 C ATOM 1639 OE1 GLU A 100 24.543 -4.867 24.667 1.00 0.00 O ATOM 1640 OE2 GLU A 100 24.925 -4.042 26.759 1.00 0.00 O ATOM 0 H GLU A 100 21.258 -2.084 23.349 1.00 0.00 H new ATOM 0 HA GLU A 100 22.157 -0.378 25.516 1.00 0.00 H new ATOM 0 HB2 GLU A 100 23.576 -2.250 23.514 1.00 0.00 H new ATOM 0 HB3 GLU A 100 24.434 -1.437 24.808 1.00 0.00 H new ATOM 0 HG2 GLU A 100 22.957 -2.653 26.478 1.00 0.00 H new ATOM 0 HG3 GLU A 100 22.240 -3.535 25.144 1.00 0.00 H new ATOM 1648 N LYS A 101 22.459 1.069 22.722 1.00 0.00 N ATOM 1649 CA LYS A 101 22.895 2.334 22.066 1.00 0.00 C ATOM 1650 C LYS A 101 21.695 3.323 21.884 1.00 0.00 C ATOM 1651 O LYS A 101 20.572 2.925 21.553 1.00 0.00 O ATOM 1652 CB LYS A 101 23.555 1.926 20.722 1.00 0.00 C ATOM 1653 CG LYS A 101 24.183 3.053 19.864 1.00 0.00 C ATOM 1654 CD LYS A 101 25.343 3.859 20.485 1.00 0.00 C ATOM 1655 CE LYS A 101 26.571 3.036 20.895 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.658 3.923 21.351 1.00 0.00 N ATOM 0 H LYS A 101 21.712 0.590 22.218 1.00 0.00 H new ATOM 0 HA LYS A 101 23.613 2.878 22.680 1.00 0.00 H new ATOM 0 HB2 LYS A 101 24.333 1.194 20.938 1.00 0.00 H new ATOM 0 HB3 LYS A 101 22.802 1.422 20.116 1.00 0.00 H new ATOM 0 HG2 LYS A 101 24.541 2.609 18.935 1.00 0.00 H new ATOM 0 HG3 LYS A 101 23.392 3.754 19.597 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.658 4.619 19.770 1.00 0.00 H new ATOM 0 HD3 LYS A 101 24.969 4.384 21.364 1.00 0.00 H new ATOM 0 HE2 LYS A 101 26.302 2.342 21.691 1.00 0.00 H new ATOM 0 HE3 LYS A 101 26.913 2.436 20.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.469 3.349 21.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.949 4.545 20.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.323 4.501 22.148 1.00 0.00 H new ATOM 1669 N GLU A 102 21.955 4.634 22.055 1.00 0.00 N ATOM 1670 CA GLU A 102 20.957 5.703 21.784 1.00 0.00 C ATOM 1671 C GLU A 102 20.894 6.058 20.263 1.00 0.00 C ATOM 1672 O GLU A 102 21.913 6.008 19.568 1.00 0.00 O ATOM 1673 CB GLU A 102 21.287 6.927 22.689 1.00 0.00 C ATOM 1674 CG GLU A 102 22.678 7.600 22.508 1.00 0.00 C ATOM 1675 CD GLU A 102 22.888 8.844 23.363 1.00 0.00 C ATOM 1676 OE1 GLU A 102 22.658 9.984 22.976 1.00 0.00 O ATOM 1677 OE2 GLU A 102 23.365 8.546 24.603 1.00 0.00 O ATOM 0 H GLU A 102 22.854 4.986 22.382 1.00 0.00 H new ATOM 0 HA GLU A 102 19.955 5.353 22.033 1.00 0.00 H new ATOM 0 HB2 GLU A 102 20.522 7.685 22.521 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.199 6.610 23.728 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.454 6.873 22.748 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.805 7.868 21.459 1.00 0.00 H new ATOM 1685 N GLY A 103 19.702 6.381 19.729 1.00 0.00 N ATOM 1686 CA GLY A 103 19.536 6.740 18.284 1.00 0.00 C ATOM 1687 C GLY A 103 19.966 5.752 17.162 1.00 0.00 C ATOM 1688 O GLY A 103 20.238 6.197 16.046 1.00 0.00 O ATOM 0 H GLY A 103 18.834 6.405 20.264 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.480 6.961 18.128 1.00 0.00 H new ATOM 0 HA3 GLY A 103 20.083 7.668 18.120 1.00 0.00 H new ATOM 1692 N ARG A 104 20.022 4.442 17.449 1.00 0.00 N ATOM 1693 CA ARG A 104 20.453 3.397 16.486 1.00 0.00 C ATOM 1694 C ARG A 104 19.257 2.913 15.600 1.00 0.00 C ATOM 1695 O ARG A 104 18.213 2.486 16.106 1.00 0.00 O ATOM 1696 CB ARG A 104 21.130 2.283 17.331 1.00 0.00 C ATOM 1697 CG ARG A 104 21.914 1.196 16.552 1.00 0.00 C ATOM 1698 CD ARG A 104 22.480 0.130 17.513 1.00 0.00 C ATOM 1699 NE ARG A 104 22.856 -1.126 16.820 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.392 -2.190 17.421 1.00 0.00 C ATOM 1701 NH1 ARG A 104 23.822 -2.206 18.664 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.494 -3.293 16.737 1.00 0.00 N ATOM 0 H ARG A 104 19.768 4.067 18.363 1.00 0.00 H new ATOM 0 HA ARG A 104 21.172 3.772 15.758 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.815 2.758 18.034 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.359 1.788 17.922 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.258 0.722 15.822 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.729 1.659 15.995 1.00 0.00 H new ATOM 0 HD2 ARG A 104 23.355 0.534 18.023 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.738 -0.092 18.280 1.00 0.00 H new ATOM 0 HE ARG A 104 22.694 -1.180 15.814 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.757 -1.365 19.237 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.221 -3.060 19.055 1.00 0.00 H new ATOM 0 HH21 ARG A 104 23.169 -3.326 15.771 1.00 0.00 H new ATOM 0 HH22 ARG A 104 23.899 -4.124 17.167 1.00 0.00 H new ATOM 1716 N GLY A 105 19.409 2.984 14.270 1.00 0.00 N ATOM 1717 CA GLY A 105 18.335 2.580 13.323 1.00 0.00 C ATOM 1718 C GLY A 105 18.679 2.772 11.834 1.00 0.00 C ATOM 1719 O GLY A 105 19.806 3.119 11.467 1.00 0.00 O ATOM 0 H GLY A 105 20.260 3.316 13.816 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.096 1.530 13.493 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.436 3.153 13.550 1.00 0.00 H new ATOM 1723 N TRP A 106 17.687 2.542 10.960 1.00 0.00 N ATOM 1724 CA TRP A 106 17.813 2.858 9.507 1.00 0.00 C ATOM 1725 C TRP A 106 16.455 3.110 8.774 1.00 0.00 C ATOM 1726 O TRP A 106 15.391 2.647 9.190 1.00 0.00 O ATOM 1727 CB TRP A 106 18.759 1.872 8.744 1.00 0.00 C ATOM 1728 CG TRP A 106 18.515 0.356 8.770 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.345 -0.563 9.448 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.573 -0.415 8.111 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.936 -1.894 9.241 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.833 -1.778 8.413 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.468 -0.062 7.297 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.982 -2.792 7.913 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.630 -1.076 6.836 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.887 -2.421 7.129 1.00 0.00 C ATOM 0 H TRP A 106 16.787 2.140 11.222 1.00 0.00 H new ATOM 0 HA TRP A 106 18.310 3.828 9.482 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.759 2.177 7.697 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.767 2.039 9.125 1.00 0.00 H new ATOM 0 HD1 TRP A 106 20.193 -0.279 10.053 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.355 -2.746 9.614 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.279 0.970 7.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.175 -3.832 8.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.766 -0.819 6.241 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.228 -3.184 6.742 1.00 0.00 H new ATOM 1747 N THR A 107 16.516 3.828 7.638 1.00 0.00 N ATOM 1748 CA THR A 107 15.368 3.998 6.700 1.00 0.00 C ATOM 1749 C THR A 107 15.803 3.517 5.277 1.00 0.00 C ATOM 1750 O THR A 107 16.778 4.027 4.713 1.00 0.00 O ATOM 1751 CB THR A 107 14.890 5.482 6.670 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.613 5.977 7.976 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.612 5.696 5.848 1.00 0.00 C ATOM 0 H THR A 107 17.361 4.312 7.335 1.00 0.00 H new ATOM 0 HA THR A 107 14.526 3.396 7.042 1.00 0.00 H new ATOM 0 HB THR A 107 15.720 6.017 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 107 13.949 5.402 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.337 6.751 5.871 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.787 5.389 4.817 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.803 5.101 6.272 1.00 0.00 H new ATOM 1761 N GLN A 108 15.064 2.557 4.691 1.00 0.00 N ATOM 1762 CA GLN A 108 15.411 1.945 3.374 1.00 0.00 C ATOM 1763 C GLN A 108 14.247 2.087 2.341 1.00 0.00 C ATOM 1764 O GLN A 108 13.091 1.786 2.651 1.00 0.00 O ATOM 1765 CB GLN A 108 15.788 0.472 3.667 1.00 0.00 C ATOM 1766 CG GLN A 108 16.438 -0.307 2.502 1.00 0.00 C ATOM 1767 CD GLN A 108 16.848 -1.735 2.889 1.00 0.00 C ATOM 1768 OE1 GLN A 108 16.041 -2.567 3.289 1.00 0.00 O ATOM 1769 NE2 GLN A 108 18.107 -2.082 2.792 1.00 0.00 N ATOM 0 H GLN A 108 14.213 2.179 5.106 1.00 0.00 H new ATOM 0 HA GLN A 108 16.250 2.460 2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.472 0.455 4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.887 -0.058 3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.739 -0.350 1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.317 0.236 2.155 1.00 0.00 H new ATOM 0 HE21 GLN A 108 18.798 -1.408 2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 108 18.397 -3.026 3.047 1.00 0.00 H new ATOM 1778 N TRP A 109 14.540 2.535 1.107 1.00 0.00 N ATOM 1779 CA TRP A 109 13.509 2.731 0.036 1.00 0.00 C ATOM 1780 C TRP A 109 14.083 2.536 -1.411 1.00 0.00 C ATOM 1781 O TRP A 109 15.300 2.508 -1.607 1.00 0.00 O ATOM 1782 CB TRP A 109 12.777 4.094 0.253 1.00 0.00 C ATOM 1783 CG TRP A 109 13.556 5.380 -0.073 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.527 6.053 -1.313 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.439 6.097 0.716 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.372 7.179 -1.318 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.920 7.187 -0.052 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.921 5.884 2.034 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.884 8.066 0.483 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.872 6.769 2.547 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.342 7.845 1.782 1.00 0.00 C ATOM 0 H TRP A 109 15.487 2.774 0.811 1.00 0.00 H new ATOM 0 HA TRP A 109 12.762 1.942 0.124 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.870 4.088 -0.351 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.465 4.145 1.296 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.929 5.742 -2.157 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.540 7.836 -2.080 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.561 5.056 2.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.260 8.893 -0.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.251 6.622 3.548 1.00 0.00 H new ATOM 0 HH2 TRP A 109 17.073 8.517 2.207 1.00 0.00 H new ATOM 1802 N ILE A 110 13.214 2.423 -2.440 1.00 0.00 N ATOM 1803 CA ILE A 110 13.659 2.339 -3.873 1.00 0.00 C ATOM 1804 C ILE A 110 13.327 3.675 -4.630 1.00 0.00 C ATOM 1805 O ILE A 110 12.214 4.205 -4.545 1.00 0.00 O ATOM 1806 CB ILE A 110 13.115 1.052 -4.602 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.638 -0.263 -3.951 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.459 1.013 -6.121 1.00 0.00 C ATOM 1809 CD1 ILE A 110 12.908 -1.539 -4.398 1.00 0.00 C ATOM 0 H ILE A 110 12.202 2.387 -2.319 1.00 0.00 H new ATOM 0 HA ILE A 110 14.743 2.225 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 110 12.033 1.115 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.698 -0.369 -4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.554 -0.174 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.056 0.102 -6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.021 1.880 -6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.541 1.030 -6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.341 -2.402 -3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.851 -1.462 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.013 -1.660 -5.476 1.00 0.00 H new ATOM 1821 N GLU A 111 14.286 4.155 -5.444 1.00 0.00 N ATOM 1822 CA GLU A 111 14.041 5.201 -6.483 1.00 0.00 C ATOM 1823 C GLU A 111 14.475 4.662 -7.887 1.00 0.00 C ATOM 1824 O GLU A 111 15.658 4.699 -8.254 1.00 0.00 O ATOM 1825 CB GLU A 111 14.783 6.516 -6.114 1.00 0.00 C ATOM 1826 CG GLU A 111 14.162 7.323 -4.949 1.00 0.00 C ATOM 1827 CD GLU A 111 14.925 8.592 -4.553 1.00 0.00 C ATOM 1828 OE1 GLU A 111 16.062 8.868 -4.928 1.00 0.00 O ATOM 1829 OE2 GLU A 111 14.191 9.372 -3.705 1.00 0.00 O ATOM 0 H GLU A 111 15.254 3.836 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 111 12.976 5.431 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.813 6.272 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.818 7.154 -6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.144 7.601 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.091 6.674 -4.076 1.00 0.00 H new ATOM 1837 N GLY A 112 13.513 4.148 -8.678 1.00 0.00 N ATOM 1838 CA GLY A 112 13.796 3.537 -10.008 1.00 0.00 C ATOM 1839 C GLY A 112 14.389 2.112 -9.929 1.00 0.00 C ATOM 1840 O GLY A 112 13.707 1.184 -9.490 1.00 0.00 O ATOM 0 H GLY A 112 12.525 4.140 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.872 3.504 -10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.489 4.179 -10.552 1.00 0.00 H new ATOM 1844 N ASP A 113 15.667 1.952 -10.308 1.00 0.00 N ATOM 1845 CA ASP A 113 16.457 0.723 -9.978 1.00 0.00 C ATOM 1846 C ASP A 113 17.554 0.947 -8.872 1.00 0.00 C ATOM 1847 O ASP A 113 18.656 0.391 -8.972 1.00 0.00 O ATOM 1848 CB ASP A 113 16.981 0.112 -11.312 1.00 0.00 C ATOM 1849 CG ASP A 113 18.027 0.899 -12.111 1.00 0.00 C ATOM 1850 OD1 ASP A 113 17.810 1.379 -13.219 1.00 0.00 O ATOM 1851 OD2 ASP A 113 19.215 0.997 -11.447 1.00 0.00 O ATOM 0 H ASP A 113 16.187 2.648 -10.842 1.00 0.00 H new ATOM 0 HA ASP A 113 15.808 -0.009 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.403 -0.867 -11.086 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.122 -0.054 -11.962 1.00 0.00 H new ATOM 1857 N GLU A 114 17.261 1.765 -7.843 1.00 0.00 N ATOM 1858 CA GLU A 114 18.269 2.251 -6.867 1.00 0.00 C ATOM 1859 C GLU A 114 17.707 2.038 -5.428 1.00 0.00 C ATOM 1860 O GLU A 114 16.701 2.650 -5.064 1.00 0.00 O ATOM 1861 CB GLU A 114 18.555 3.765 -7.086 1.00 0.00 C ATOM 1862 CG GLU A 114 18.925 4.258 -8.510 1.00 0.00 C ATOM 1863 CD GLU A 114 18.930 5.780 -8.615 1.00 0.00 C ATOM 1864 OE1 GLU A 114 19.956 6.449 -8.682 1.00 0.00 O ATOM 1865 OE2 GLU A 114 17.663 6.303 -8.604 1.00 0.00 O ATOM 0 H GLU A 114 16.319 2.111 -7.660 1.00 0.00 H new ATOM 0 HA GLU A 114 19.198 1.698 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.672 4.317 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.368 4.047 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.909 3.875 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.215 3.849 -9.229 1.00 0.00 H new ATOM 1873 N LEU A 115 18.359 1.205 -4.608 1.00 0.00 N ATOM 1874 CA LEU A 115 18.020 1.047 -3.168 1.00 0.00 C ATOM 1875 C LEU A 115 18.793 2.107 -2.320 1.00 0.00 C ATOM 1876 O LEU A 115 20.026 2.094 -2.229 1.00 0.00 O ATOM 1877 CB LEU A 115 18.343 -0.420 -2.784 1.00 0.00 C ATOM 1878 CG LEU A 115 18.046 -0.865 -1.331 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.544 -1.125 -1.114 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.842 -2.139 -1.011 1.00 0.00 C ATOM 0 H LEU A 115 19.136 0.618 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 115 16.964 1.230 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.786 -1.073 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.402 -0.592 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 115 18.347 -0.058 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.374 -1.435 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.984 -0.212 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.210 -1.912 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.632 -2.452 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.551 -2.932 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.908 -1.938 -1.118 1.00 0.00 H new ATOM 1892 N HIS A 116 18.041 3.027 -1.708 1.00 0.00 N ATOM 1893 CA HIS A 116 18.591 4.144 -0.900 1.00 0.00 C ATOM 1894 C HIS A 116 18.428 3.807 0.612 1.00 0.00 C ATOM 1895 O HIS A 116 17.312 3.609 1.104 1.00 0.00 O ATOM 1896 CB HIS A 116 17.836 5.450 -1.267 1.00 0.00 C ATOM 1897 CG HIS A 116 18.209 6.095 -2.605 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.885 5.566 -3.847 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.891 7.314 -2.750 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.442 6.527 -4.648 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.073 7.605 -4.089 1.00 0.00 N ATOM 0 H HIS A 116 17.022 3.026 -1.754 1.00 0.00 H new ATOM 0 HA HIS A 116 19.651 4.285 -1.109 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.767 5.236 -1.276 1.00 0.00 H new ATOM 0 HB3 HIS A 116 18.009 6.179 -0.475 1.00 0.00 H new ATOM 0 HD1 HIS A 116 17.381 4.713 -4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.225 7.935 -1.932 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.383 6.434 -5.722 1.00 0.00 H new ATOM 1909 N LEU A 117 19.555 3.744 1.335 1.00 0.00 N ATOM 1910 CA LEU A 117 19.593 3.385 2.777 1.00 0.00 C ATOM 1911 C LEU A 117 20.214 4.557 3.598 1.00 0.00 C ATOM 1912 O LEU A 117 21.382 4.910 3.406 1.00 0.00 O ATOM 1913 CB LEU A 117 20.408 2.063 2.894 1.00 0.00 C ATOM 1914 CG LEU A 117 20.587 1.483 4.322 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.274 0.969 4.931 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.613 0.341 4.322 1.00 0.00 C ATOM 0 H LEU A 117 20.476 3.940 0.942 1.00 0.00 H new ATOM 0 HA LEU A 117 18.596 3.225 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.922 1.307 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.397 2.233 2.469 1.00 0.00 H new ATOM 0 HG LEU A 117 20.941 2.310 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.465 0.576 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.557 1.788 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.866 0.178 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.722 -0.050 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.272 -0.455 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.575 0.716 3.972 1.00 0.00 H new ATOM 1928 N GLU A 118 19.457 5.120 4.555 1.00 0.00 N ATOM 1929 CA GLU A 118 20.013 6.064 5.568 1.00 0.00 C ATOM 1930 C GLU A 118 20.131 5.341 6.940 1.00 0.00 C ATOM 1931 O GLU A 118 19.114 4.943 7.510 1.00 0.00 O ATOM 1932 CB GLU A 118 19.145 7.344 5.687 1.00 0.00 C ATOM 1933 CG GLU A 118 19.144 8.242 4.433 1.00 0.00 C ATOM 1934 CD GLU A 118 18.476 9.595 4.656 1.00 0.00 C ATOM 1935 OE1 GLU A 118 17.286 9.813 4.458 1.00 0.00 O ATOM 1936 OE2 GLU A 118 19.352 10.536 5.107 1.00 0.00 O ATOM 0 H GLU A 118 18.457 4.945 4.657 1.00 0.00 H new ATOM 0 HA GLU A 118 21.005 6.379 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 118 18.119 7.051 5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.499 7.929 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.172 8.402 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.632 7.722 3.623 1.00 0.00 H new ATOM 1944 N MET A 119 21.355 5.172 7.465 1.00 0.00 N ATOM 1945 CA MET A 119 21.603 4.476 8.760 1.00 0.00 C ATOM 1946 C MET A 119 22.028 5.487 9.865 1.00 0.00 C ATOM 1947 O MET A 119 22.929 6.304 9.663 1.00 0.00 O ATOM 1948 CB MET A 119 22.676 3.365 8.614 1.00 0.00 C ATOM 1949 CG MET A 119 22.432 2.272 7.555 1.00 0.00 C ATOM 1950 SD MET A 119 23.644 0.946 7.720 1.00 0.00 S ATOM 1951 CE MET A 119 25.087 1.747 7.004 1.00 0.00 C ATOM 0 H MET A 119 22.205 5.509 7.014 1.00 0.00 H new ATOM 0 HA MET A 119 20.665 4.006 9.057 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.628 3.845 8.388 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.787 2.876 9.582 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.426 1.868 7.667 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.493 2.705 6.557 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.867 1.005 6.831 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.812 2.213 6.057 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.458 2.509 7.689 1.00 0.00 H new ATOM 1961 N ARG A 120 21.397 5.418 11.043 1.00 0.00 N ATOM 1962 CA ARG A 120 21.633 6.378 12.159 1.00 0.00 C ATOM 1963 C ARG A 120 22.262 5.670 13.394 1.00 0.00 C ATOM 1964 O ARG A 120 21.906 4.534 13.725 1.00 0.00 O ATOM 1965 CB ARG A 120 20.279 7.025 12.560 1.00 0.00 C ATOM 1966 CG ARG A 120 19.629 7.931 11.483 1.00 0.00 C ATOM 1967 CD ARG A 120 18.215 8.438 11.839 1.00 0.00 C ATOM 1968 NE ARG A 120 17.213 7.340 11.975 1.00 0.00 N ATOM 1969 CZ ARG A 120 16.652 6.673 10.968 1.00 0.00 C ATOM 1970 NH1 ARG A 120 16.890 6.913 9.697 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.814 5.718 11.265 1.00 0.00 N ATOM 0 H ARG A 120 20.706 4.700 11.262 1.00 0.00 H new ATOM 0 HA ARG A 120 22.333 7.141 11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.577 6.230 12.814 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.432 7.616 13.463 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.277 8.791 11.311 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.577 7.378 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 120 18.261 8.997 12.774 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.881 9.133 11.069 1.00 0.00 H new ATOM 0 HE ARG A 120 16.934 7.078 12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 120 17.542 7.651 9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 120 16.423 6.361 8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.609 5.505 12.241 1.00 0.00 H new ATOM 0 HH22 ARG A 120 15.364 5.185 10.521 1.00 0.00 H new ATOM 1985 N ALA A 121 23.166 6.367 14.104 1.00 0.00 N ATOM 1986 CA ALA A 121 23.630 5.951 15.451 1.00 0.00 C ATOM 1987 C ALA A 121 23.999 7.188 16.310 1.00 0.00 C ATOM 1988 O ALA A 121 24.808 8.030 15.912 1.00 0.00 O ATOM 1989 CB ALA A 121 24.818 4.992 15.337 1.00 0.00 C ATOM 0 H ALA A 121 23.596 7.229 13.769 1.00 0.00 H new ATOM 0 HA ALA A 121 22.815 5.426 15.949 1.00 0.00 H new ATOM 0 HB1 ALA A 121 25.145 4.698 16.334 1.00 0.00 H new ATOM 0 HB2 ALA A 121 24.518 4.106 14.777 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.638 5.489 14.818 1.00 0.00 H new ATOM 1995 N GLU A 122 23.376 7.317 17.493 1.00 0.00 N ATOM 1996 CA GLU A 122 23.491 8.525 18.378 1.00 0.00 C ATOM 1997 C GLU A 122 22.963 9.882 17.761 1.00 0.00 C ATOM 1998 O GLU A 122 23.426 10.963 18.135 1.00 0.00 O ATOM 1999 CB GLU A 122 24.912 8.661 19.015 1.00 0.00 C ATOM 2000 CG GLU A 122 25.495 7.377 19.655 1.00 0.00 C ATOM 2001 CD GLU A 122 26.575 7.614 20.710 1.00 0.00 C ATOM 2002 OE1 GLU A 122 26.376 8.258 21.736 1.00 0.00 O ATOM 2003 OE2 GLU A 122 27.763 7.011 20.401 1.00 0.00 O ATOM 0 H GLU A 122 22.772 6.592 17.879 1.00 0.00 H new ATOM 0 HA GLU A 122 22.787 8.326 19.186 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.602 9.005 18.245 1.00 0.00 H new ATOM 0 HB3 GLU A 122 24.873 9.438 19.778 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.680 6.814 20.111 1.00 0.00 H new ATOM 0 HG3 GLU A 122 25.911 6.752 18.865 1.00 0.00 H new ATOM 2011 N GLY A 123 22.032 9.834 16.786 1.00 0.00 N ATOM 2012 CA GLY A 123 21.808 10.969 15.840 1.00 0.00 C ATOM 2013 C GLY A 123 22.653 11.017 14.533 1.00 0.00 C ATOM 2014 O GLY A 123 22.184 11.574 13.538 1.00 0.00 O ATOM 0 H GLY A 123 21.423 9.032 16.626 1.00 0.00 H new ATOM 0 HA2 GLY A 123 20.756 10.962 15.556 1.00 0.00 H new ATOM 0 HA3 GLY A 123 21.985 11.896 16.385 1.00 0.00 H new ATOM 2018 N VAL A 124 23.886 10.473 14.516 1.00 0.00 N ATOM 2019 CA VAL A 124 24.833 10.587 13.365 1.00 0.00 C ATOM 2020 C VAL A 124 24.355 9.700 12.170 1.00 0.00 C ATOM 2021 O VAL A 124 24.235 8.478 12.298 1.00 0.00 O ATOM 2022 CB VAL A 124 26.291 10.221 13.809 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.311 10.254 12.648 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.855 11.121 14.937 1.00 0.00 C ATOM 0 H VAL A 124 24.264 9.938 15.298 1.00 0.00 H new ATOM 0 HA VAL A 124 24.844 11.622 13.024 1.00 0.00 H new ATOM 0 HB VAL A 124 26.177 9.203 14.182 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.300 9.991 13.025 1.00 0.00 H new ATOM 0 HG12 VAL A 124 27.013 9.539 11.881 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.341 11.255 12.218 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.867 10.802 15.185 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.874 12.158 14.600 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.221 11.038 15.820 1.00 0.00 H new ATOM 2034 N THR A 125 24.109 10.336 11.015 1.00 0.00 N ATOM 2035 CA THR A 125 23.508 9.662 9.830 1.00 0.00 C ATOM 2036 C THR A 125 24.592 9.323 8.752 1.00 0.00 C ATOM 2037 O THR A 125 25.292 10.202 8.240 1.00 0.00 O ATOM 2038 CB THR A 125 22.343 10.540 9.276 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.422 10.862 10.318 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.505 9.850 8.186 1.00 0.00 C ATOM 0 H THR A 125 24.315 11.324 10.866 1.00 0.00 H new ATOM 0 HA THR A 125 23.088 8.701 10.128 1.00 0.00 H new ATOM 0 HB THR A 125 22.837 11.416 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.698 11.414 9.956 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.716 10.524 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.145 9.595 7.342 1.00 0.00 H new ATOM 0 HG23 THR A 125 21.059 8.941 8.591 1.00 0.00 H new ATOM 2048 N CYS A 126 24.674 8.035 8.390 1.00 0.00 N ATOM 2049 CA CYS A 126 25.337 7.555 7.153 1.00 0.00 C ATOM 2050 C CYS A 126 24.310 7.349 5.998 1.00 0.00 C ATOM 2051 O CYS A 126 23.233 6.788 6.205 1.00 0.00 O ATOM 2052 CB CYS A 126 26.010 6.219 7.530 1.00 0.00 C ATOM 2053 SG CYS A 126 26.583 5.303 6.061 1.00 0.00 S ATOM 0 H CYS A 126 24.278 7.281 8.951 1.00 0.00 H new ATOM 0 HA CYS A 126 26.061 8.284 6.788 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.856 6.413 8.189 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.305 5.603 8.089 1.00 0.00 H new ATOM 0 HG CYS A 126 27.410 4.369 6.427 1.00 0.00 H new ATOM 2059 N LYS A 127 24.661 7.753 4.768 1.00 0.00 N ATOM 2060 CA LYS A 127 23.779 7.595 3.573 1.00 0.00 C ATOM 2061 C LYS A 127 24.468 6.673 2.517 1.00 0.00 C ATOM 2062 O LYS A 127 25.595 6.936 2.082 1.00 0.00 O ATOM 2063 CB LYS A 127 23.440 8.997 2.998 1.00 0.00 C ATOM 2064 CG LYS A 127 22.534 9.891 3.891 1.00 0.00 C ATOM 2065 CD LYS A 127 23.046 11.331 4.093 1.00 0.00 C ATOM 2066 CE LYS A 127 24.245 11.428 5.053 1.00 0.00 C ATOM 2067 NZ LYS A 127 24.666 12.836 5.174 1.00 0.00 N ATOM 0 H LYS A 127 25.556 8.197 4.561 1.00 0.00 H new ATOM 0 HA LYS A 127 22.843 7.113 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.373 9.529 2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.951 8.865 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.539 9.933 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 127 22.429 9.417 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 127 23.331 11.746 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 127 22.233 11.947 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 127 23.973 11.033 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 127 25.071 10.821 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 25.408 12.915 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 25.037 13.167 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 23.850 13.420 5.449 1.00 0.00 H new ATOM 2080 N GLN A 128 23.787 5.587 2.112 1.00 0.00 N ATOM 2081 CA GLN A 128 24.327 4.587 1.145 1.00 0.00 C ATOM 2082 C GLN A 128 23.339 4.352 -0.041 1.00 0.00 C ATOM 2083 O GLN A 128 22.136 4.154 0.162 1.00 0.00 O ATOM 2084 CB GLN A 128 24.608 3.250 1.882 1.00 0.00 C ATOM 2085 CG GLN A 128 25.805 3.280 2.865 1.00 0.00 C ATOM 2086 CD GLN A 128 26.134 1.937 3.532 1.00 0.00 C ATOM 2087 OE1 GLN A 128 25.410 0.948 3.474 1.00 0.00 O ATOM 2088 NE2 GLN A 128 27.256 1.859 4.205 1.00 0.00 N ATOM 0 H GLN A 128 22.846 5.368 2.440 1.00 0.00 H new ATOM 0 HA GLN A 128 25.256 4.977 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.713 2.962 2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.788 2.474 1.138 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.688 3.627 2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.597 4.014 3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 128 27.872 2.670 4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 128 27.513 0.987 4.668 1.00 0.00 H new ATOM 2097 N VAL A 129 23.860 4.334 -1.282 1.00 0.00 N ATOM 2098 CA VAL A 129 23.033 4.091 -2.509 1.00 0.00 C ATOM 2099 C VAL A 129 23.518 2.768 -3.188 1.00 0.00 C ATOM 2100 O VAL A 129 24.716 2.571 -3.406 1.00 0.00 O ATOM 2101 CB VAL A 129 23.059 5.312 -3.495 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.102 5.128 -4.699 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.672 6.657 -2.838 1.00 0.00 C ATOM 0 H VAL A 129 24.850 4.484 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 129 21.988 3.979 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 129 24.099 5.343 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.161 6.002 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.390 4.239 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.080 5.013 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.714 7.451 -3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.661 6.588 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.368 6.881 -2.030 1.00 0.00 H new ATOM 2113 N PHE A 130 22.574 1.885 -3.549 1.00 0.00 N ATOM 2114 CA PHE A 130 22.864 0.565 -4.174 1.00 0.00 C ATOM 2115 C PHE A 130 22.063 0.385 -5.503 1.00 0.00 C ATOM 2116 O PHE A 130 20.857 0.628 -5.542 1.00 0.00 O ATOM 2117 CB PHE A 130 22.473 -0.557 -3.176 1.00 0.00 C ATOM 2118 CG PHE A 130 23.445 -0.903 -2.044 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.507 -0.118 -0.888 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.188 -2.086 -2.112 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.289 -0.522 0.191 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.974 -2.486 -1.037 1.00 0.00 C ATOM 2123 CZ PHE A 130 25.018 -1.708 0.117 1.00 0.00 C ATOM 0 H PHE A 130 21.577 2.059 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 130 23.927 0.512 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.522 -0.279 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.298 -1.466 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.947 0.804 -0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 130 24.151 -2.692 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.331 0.083 1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.549 -3.398 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.619 -2.024 0.957 1.00 0.00 H new ATOM 2133 N LYS A 131 22.698 -0.100 -6.581 1.00 0.00 N ATOM 2134 CA LYS A 131 22.031 -0.291 -7.902 1.00 0.00 C ATOM 2135 C LYS A 131 21.609 -1.771 -8.147 1.00 0.00 C ATOM 2136 O LYS A 131 22.386 -2.697 -7.895 1.00 0.00 O ATOM 2137 CB LYS A 131 22.991 0.216 -9.010 1.00 0.00 C ATOM 2138 CG LYS A 131 22.260 0.573 -10.323 1.00 0.00 C ATOM 2139 CD LYS A 131 23.172 1.156 -11.415 1.00 0.00 C ATOM 2140 CE LYS A 131 22.359 1.557 -12.656 1.00 0.00 C ATOM 2141 NZ LYS A 131 23.260 2.092 -13.695 1.00 0.00 N ATOM 0 H LYS A 131 23.681 -0.372 -6.575 1.00 0.00 H new ATOM 0 HA LYS A 131 21.106 0.285 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.525 1.094 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.739 -0.550 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.775 -0.323 -10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.471 1.292 -10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.701 2.026 -11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.928 0.421 -11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.817 0.693 -13.042 1.00 0.00 H new ATOM 0 HE3 LYS A 131 21.614 2.306 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.704 2.361 -14.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.758 2.928 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.954 1.365 -13.960 1.00 0.00 H new ATOM 2154 N LYS A 132 20.394 -1.989 -8.686 1.00 0.00 N ATOM 2155 CA LYS A 132 19.877 -3.354 -8.985 1.00 0.00 C ATOM 2156 C LYS A 132 20.594 -4.026 -10.200 1.00 0.00 C ATOM 2157 O LYS A 132 20.523 -3.532 -11.329 1.00 0.00 O ATOM 2158 CB LYS A 132 18.345 -3.265 -9.228 1.00 0.00 C ATOM 2159 CG LYS A 132 17.600 -4.605 -9.035 1.00 0.00 C ATOM 2160 CD LYS A 132 16.073 -4.451 -9.168 1.00 0.00 C ATOM 2161 CE LYS A 132 15.350 -5.795 -9.003 1.00 0.00 C ATOM 2162 NZ LYS A 132 13.888 -5.600 -9.029 1.00 0.00 N ATOM 0 H LYS A 132 19.745 -1.240 -8.927 1.00 0.00 H new ATOM 0 HA LYS A 132 20.088 -3.991 -8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.922 -2.525 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.168 -2.905 -10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 132 17.956 -5.325 -9.772 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.837 -5.012 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.711 -3.749 -8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.834 -4.026 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.647 -6.475 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.644 -6.260 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.413 -6.518 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.608 -4.968 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.610 -5.176 -9.937 1.00 0.00 H new ATOM 2175 N VAL A 133 21.254 -5.167 -9.954 1.00 0.00 N ATOM 2176 CA VAL A 133 21.898 -5.995 -11.027 1.00 0.00 C ATOM 2177 C VAL A 133 21.085 -7.286 -11.386 1.00 0.00 C ATOM 2178 O VAL A 133 20.963 -7.603 -12.572 1.00 0.00 O ATOM 2179 CB VAL A 133 23.422 -6.247 -10.755 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.236 -4.934 -10.765 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.768 -7.020 -9.463 1.00 0.00 C ATOM 0 H VAL A 133 21.366 -5.554 -9.017 1.00 0.00 H new ATOM 0 HA VAL A 133 21.865 -5.397 -11.938 1.00 0.00 H new ATOM 0 HB VAL A 133 23.702 -6.893 -11.587 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.286 -5.155 -10.572 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.139 -4.453 -11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.858 -4.266 -9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.849 -7.132 -9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.397 -6.469 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.302 -8.005 -9.493 1.00 0.00 H new ATOM 2191 N HIS A 134 20.510 -8.008 -10.401 1.00 0.00 N ATOM 2192 CA HIS A 134 19.491 -9.057 -10.655 1.00 0.00 C ATOM 2193 C HIS A 134 18.102 -8.495 -10.263 1.00 0.00 C ATOM 2194 O HIS A 134 17.863 -8.207 -9.067 1.00 0.00 O ATOM 2195 CB HIS A 134 19.900 -10.337 -9.883 1.00 0.00 C ATOM 2196 CG HIS A 134 19.027 -11.560 -10.147 1.00 0.00 C ATOM 2197 ND1 HIS A 134 19.107 -12.338 -11.283 1.00 0.00 N ATOM 2198 CD2 HIS A 134 18.025 -12.058 -9.296 1.00 0.00 C ATOM 2199 CE1 HIS A 134 18.121 -13.252 -11.017 1.00 0.00 C ATOM 2200 NE2 HIS A 134 17.409 -13.173 -9.846 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.244 -8.341 -11.160 1.00 0.00 O ATOM 0 H HIS A 134 20.734 -7.884 -9.414 1.00 0.00 H new ATOM 0 HA HIS A 134 19.430 -9.335 -11.707 1.00 0.00 H new ATOM 0 HB2 HIS A 134 20.930 -10.583 -10.140 1.00 0.00 H new ATOM 0 HB3 HIS A 134 19.881 -10.120 -8.815 1.00 0.00 H new ATOM 0 HD2 HIS A 134 17.768 -11.629 -8.339 1.00 0.00 H new ATOM 0 HE1 HIS A 134 17.904 -14.035 -11.729 1.00 0.00 H new ATOM 0 HE2 HIS A 134 16.654 -13.758 -9.488 1.00 0.00 H new TER 2209 HIS A 134