USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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 48 LYS NZ :NH3+ -170:sc= 0.836 (180deg=0.744) USER MOD Set 1.2: A 68 ASN : amide:sc= -0.92 X(o=-0.084,f=-0.36) USER MOD Set 2.1: A 10 MET CE :methyl -179:sc= -0.382 (180deg=-0.383) USER MOD Set 2.2: A 24 TYR OH : rot 1:sc= 1.28 USER MOD Set 3.1: A 9 SER OG : rot 37:sc= 0.0166 USER MOD Set 3.2: A 16 SER OG : rot 115:sc= 0.868 USER MOD Set 4.1: A 1 MET N :NH3+ -120:sc= -0.185 (180deg=0) USER MOD Set 4.2: A 33 ASN : amide:sc= -0.235 K(o=-0.42,f=1.2) USER MOD Single : A 1 MET CE :methyl 136:sc= -1.62 (180deg=-6.04!) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 4 MET CE :methyl -127:sc= -1.58 (180deg=-7.69!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc=-0.000625 (180deg=-0.000625) USER MOD Single : A 17 ASN : amide:sc= 0.167 X(o=0.17,f=-0.2) USER MOD Single : A 18 SER OG : rot 180:sc= -0.153 USER MOD Single : A 22 CYS SG : rot -82:sc= 0.515 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 0.565 (180deg=0.443) USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= 0.956 (180deg=-1.08) USER MOD Single : A 37 SER OG : rot 8:sc= 1.28 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.669 K(o=0.67,f=-0.92) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 61 CYS SG : rot 27:sc= 0.0587 USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= 1.71 (180deg=0.502) USER MOD Single : A 63 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.44) USER MOD Single : A 65 SER OG : rot 173:sc= 0.0692 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.904) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0457) USER MOD Single : A 73 SER OG : rot -84:sc= 0.197 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 7:sc= 1.33 USER MOD Single : A 80 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.46) USER MOD Single : A 88 LYS NZ :NH3+ -146:sc= 1.12 (180deg=0.826) USER MOD Single : A 89 ASN : amide:sc= 0.74 K(o=0.74,f=-1.8) USER MOD Single : A 91 SER OG : rot -86:sc= 0.0886 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 16.102 -0.825 6.919 1.00 0.00 N ATOM 26 CA MET A 1 14.725 -1.297 6.883 1.00 0.00 C ATOM 27 C MET A 1 14.641 -2.758 6.492 1.00 0.00 C ATOM 28 O MET A 1 15.075 -3.158 5.408 1.00 0.00 O ATOM 29 CB MET A 1 13.836 -0.491 5.928 1.00 0.00 C ATOM 30 CG MET A 1 12.385 -0.966 6.121 1.00 0.00 C ATOM 31 SD MET A 1 11.750 -0.641 7.793 1.00 0.00 S ATOM 32 CE MET A 1 10.554 -1.975 8.051 1.00 0.00 C ATOM 0 H1 MET A 1 16.329 -0.489 7.877 1.00 0.00 H new ATOM 0 H2 MET A 1 16.743 -1.604 6.665 1.00 0.00 H new ATOM 0 H3 MET A 1 16.219 -0.045 6.241 1.00 0.00 H new ATOM 0 HA MET A 1 14.356 -1.161 7.900 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.920 0.575 6.137 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.152 -0.639 4.895 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.745 -0.469 5.392 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.328 -2.035 5.918 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.680 -2.388 9.052 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.543 -1.583 7.945 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.719 -2.759 7.312 1.00 0.00 H new ATOM 42 N ILE A 2 13.993 -3.510 7.370 1.00 0.00 N ATOM 43 CA ILE A 2 13.954 -4.953 7.434 1.00 0.00 C ATOM 44 C ILE A 2 12.488 -5.367 7.642 1.00 0.00 C ATOM 45 O ILE A 2 11.780 -4.697 8.389 1.00 0.00 O ATOM 46 CB ILE A 2 14.819 -5.379 8.643 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.121 -4.581 8.903 1.00 0.00 C ATOM 48 CG2 ILE A 2 15.128 -6.859 8.511 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.161 -4.603 7.782 1.00 0.00 C ATOM 0 H ILE A 2 13.438 -3.086 8.114 1.00 0.00 H new ATOM 0 HA ILE A 2 14.335 -5.424 6.528 1.00 0.00 H new ATOM 0 HB ILE A 2 14.213 -5.148 9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 2 15.853 -3.543 9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.586 -4.969 9.809 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.738 -7.180 9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 2 14.197 -7.426 8.500 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.671 -7.036 7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.027 -4.011 8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.471 -5.631 7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 2 16.727 -4.183 6.875 1.00 0.00 H new ATOM 61 N ASN A 3 12.029 -6.476 7.048 1.00 0.00 N ATOM 62 CA ASN A 3 10.669 -7.013 7.181 1.00 0.00 C ATOM 63 C ASN A 3 9.579 -5.937 7.041 1.00 0.00 C ATOM 64 O ASN A 3 8.752 -5.771 7.936 1.00 0.00 O ATOM 65 CB ASN A 3 10.516 -7.838 8.483 1.00 0.00 C ATOM 66 CG ASN A 3 11.175 -9.207 8.407 1.00 0.00 C ATOM 67 OD1 ASN A 3 12.373 -9.353 8.619 1.00 0.00 O ATOM 68 ND2 ASN A 3 10.411 -10.268 8.206 1.00 0.00 N ATOM 0 H ASN A 3 12.617 -7.045 6.439 1.00 0.00 H new ATOM 0 HA ASN A 3 10.518 -7.692 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.949 -7.279 9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.456 -7.964 8.703 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.820 -11.202 8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.413 -10.152 8.029 1.00 0.00 H new ATOM 75 N MET A 4 9.525 -5.231 5.911 1.00 0.00 N ATOM 76 CA MET A 4 8.398 -4.384 5.512 1.00 0.00 C ATOM 77 C MET A 4 7.591 -5.128 4.442 1.00 0.00 C ATOM 78 O MET A 4 8.126 -5.927 3.667 1.00 0.00 O ATOM 79 CB MET A 4 8.916 -3.059 4.915 1.00 0.00 C ATOM 80 CG MET A 4 7.858 -1.949 4.778 1.00 0.00 C ATOM 81 SD MET A 4 7.942 -0.584 5.972 1.00 0.00 S ATOM 82 CE MET A 4 9.248 0.463 5.243 1.00 0.00 C ATOM 0 H MET A 4 10.284 -5.232 5.229 1.00 0.00 H new ATOM 0 HA MET A 4 7.779 -4.165 6.382 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.729 -2.690 5.540 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.337 -3.262 3.930 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.935 -1.528 3.775 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.872 -2.408 4.856 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.014 0.664 5.992 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.697 -0.053 4.394 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.814 1.405 4.907 1.00 0.00 H new ATOM 92 N LYS A 5 6.311 -4.798 4.323 1.00 0.00 N ATOM 93 CA LYS A 5 5.435 -5.116 3.204 1.00 0.00 C ATOM 94 C LYS A 5 4.538 -3.910 3.021 1.00 0.00 C ATOM 95 O LYS A 5 4.082 -3.340 4.015 1.00 0.00 O ATOM 96 CB LYS A 5 4.558 -6.342 3.508 1.00 0.00 C ATOM 97 CG LYS A 5 5.140 -7.722 3.162 1.00 0.00 C ATOM 98 CD LYS A 5 5.343 -8.628 4.392 1.00 0.00 C ATOM 99 CE LYS A 5 6.812 -8.610 4.808 1.00 0.00 C ATOM 100 NZ LYS A 5 7.108 -9.510 5.943 1.00 0.00 N ATOM 0 H LYS A 5 5.828 -4.269 5.050 1.00 0.00 H new ATOM 0 HA LYS A 5 6.025 -5.345 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.320 -6.332 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.617 -6.227 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.475 -8.222 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.097 -7.588 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.718 -8.284 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.033 -9.647 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.428 -8.897 3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.094 -7.592 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.120 -9.452 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.545 -9.224 6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.868 -10.488 5.682 1.00 0.00 H new ATOM 114 N VAL A 6 4.228 -3.588 1.775 1.00 0.00 N ATOM 115 CA VAL A 6 3.304 -2.542 1.398 1.00 0.00 C ATOM 116 C VAL A 6 2.376 -3.119 0.352 1.00 0.00 C ATOM 117 O VAL A 6 2.850 -3.784 -0.560 1.00 0.00 O ATOM 118 CB VAL A 6 4.077 -1.351 0.830 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.140 -0.233 0.375 1.00 0.00 C ATOM 120 CG2 VAL A 6 5.048 -0.770 1.840 1.00 0.00 C ATOM 0 H VAL A 6 4.631 -4.070 0.971 1.00 0.00 H new ATOM 0 HA VAL A 6 2.734 -2.192 2.259 1.00 0.00 H new ATOM 0 HB VAL A 6 4.630 -1.739 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.727 0.595 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.473 -0.610 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.550 0.115 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.575 0.073 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.499 -0.431 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.768 -1.534 2.134 1.00 0.00 H new ATOM 130 N ALA A 7 1.079 -2.839 0.444 1.00 0.00 N ATOM 131 CA ALA A 7 0.077 -3.336 -0.489 1.00 0.00 C ATOM 132 C ALA A 7 -0.402 -2.188 -1.388 1.00 0.00 C ATOM 133 O ALA A 7 -1.496 -1.658 -1.195 1.00 0.00 O ATOM 134 CB ALA A 7 -1.027 -4.006 0.335 1.00 0.00 C ATOM 0 H ALA A 7 0.690 -2.251 1.181 1.00 0.00 H new ATOM 0 HA ALA A 7 0.474 -4.087 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.797 -4.391 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.603 -4.828 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.468 -3.276 1.014 1.00 0.00 H new ATOM 140 N ILE A 8 0.430 -1.774 -2.348 1.00 0.00 N ATOM 141 CA ILE A 8 0.207 -0.603 -3.205 1.00 0.00 C ATOM 142 C ILE A 8 -1.011 -0.859 -4.096 1.00 0.00 C ATOM 143 O ILE A 8 -1.006 -1.825 -4.862 1.00 0.00 O ATOM 144 CB ILE A 8 1.469 -0.289 -4.051 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.703 -0.159 -3.132 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.280 0.989 -4.893 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.974 0.351 -3.819 1.00 0.00 C ATOM 0 H ILE A 8 1.303 -2.258 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 8 0.013 0.270 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 8 1.628 -1.116 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.456 0.515 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.913 -1.134 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.183 1.179 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.435 0.858 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.088 1.835 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.783 0.407 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.254 -0.333 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.790 1.342 -4.235 1.00 0.00 H new ATOM 159 N SER A 9 -2.040 -0.017 -3.997 1.00 0.00 N ATOM 160 CA SER A 9 -3.218 -0.065 -4.852 1.00 0.00 C ATOM 161 C SER A 9 -2.867 0.319 -6.304 1.00 0.00 C ATOM 162 O SER A 9 -2.439 1.438 -6.584 1.00 0.00 O ATOM 163 CB SER A 9 -4.297 0.833 -4.233 1.00 0.00 C ATOM 164 OG SER A 9 -3.822 2.120 -3.880 1.00 0.00 O ATOM 0 H SER A 9 -2.075 0.731 -3.305 1.00 0.00 H new ATOM 0 HA SER A 9 -3.608 -1.081 -4.910 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.121 0.939 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.699 0.346 -3.345 1.00 0.00 H new ATOM 0 HG SER A 9 -3.175 2.425 -4.550 1.00 0.00 H new ATOM 170 N MET A 10 -3.058 -0.603 -7.243 1.00 0.00 N ATOM 171 CA MET A 10 -2.658 -0.490 -8.640 1.00 0.00 C ATOM 172 C MET A 10 -3.862 -0.715 -9.552 1.00 0.00 C ATOM 173 O MET A 10 -4.847 -1.343 -9.159 1.00 0.00 O ATOM 174 CB MET A 10 -1.583 -1.545 -8.932 1.00 0.00 C ATOM 175 CG MET A 10 -0.238 -1.257 -8.260 1.00 0.00 C ATOM 176 SD MET A 10 0.675 0.147 -8.942 1.00 0.00 S ATOM 177 CE MET A 10 1.156 -0.555 -10.546 1.00 0.00 C ATOM 0 H MET A 10 -3.518 -1.491 -7.040 1.00 0.00 H new ATOM 0 HA MET A 10 -2.262 0.508 -8.827 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.943 -2.519 -8.601 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.434 -1.610 -10.010 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.411 -1.077 -7.199 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.386 -2.147 -8.335 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.748 0.174 -11.100 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.748 -1.456 -10.386 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.262 -0.805 -11.117 1.00 0.00 H new ATOM 187 N ASP A 11 -3.780 -0.197 -10.775 1.00 0.00 N ATOM 188 CA ASP A 11 -4.824 -0.249 -11.807 1.00 0.00 C ATOM 189 C ASP A 11 -4.445 -1.235 -12.905 1.00 0.00 C ATOM 190 O ASP A 11 -5.105 -2.252 -13.115 1.00 0.00 O ATOM 191 CB ASP A 11 -4.970 1.155 -12.399 1.00 0.00 C ATOM 192 CG ASP A 11 -6.234 1.322 -13.239 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.315 1.602 -12.664 1.00 0.00 O ATOM 194 OD2 ASP A 11 -6.105 1.305 -14.480 1.00 0.00 O ATOM 0 H ASP A 11 -2.945 0.295 -11.093 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.764 -0.581 -11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.980 1.885 -11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.099 1.375 -13.016 1.00 0.00 H new ATOM 199 N VAL A 12 -3.338 -0.951 -13.583 1.00 0.00 N ATOM 200 CA VAL A 12 -2.706 -1.853 -14.522 1.00 0.00 C ATOM 201 C VAL A 12 -1.231 -1.603 -14.266 1.00 0.00 C ATOM 202 O VAL A 12 -0.650 -2.224 -13.375 1.00 0.00 O ATOM 203 CB VAL A 12 -3.170 -1.598 -15.980 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.563 -2.631 -16.936 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.695 -1.642 -16.153 1.00 0.00 C ATOM 0 H VAL A 12 -2.847 -0.062 -13.488 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.966 -2.903 -14.387 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.824 -0.592 -16.216 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.903 -2.431 -17.952 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.476 -2.567 -16.898 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.878 -3.631 -16.638 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.948 -1.455 -17.197 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.066 -2.624 -15.859 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.155 -0.878 -15.526 1.00 0.00 H new ATOM 215 N ASP A 13 -0.665 -0.581 -14.914 1.00 0.00 N ATOM 216 CA ASP A 13 0.766 -0.320 -14.830 1.00 0.00 C ATOM 217 C ASP A 13 1.109 0.788 -13.840 1.00 0.00 C ATOM 218 O ASP A 13 2.282 1.028 -13.547 1.00 0.00 O ATOM 219 CB ASP A 13 1.333 0.058 -16.208 1.00 0.00 C ATOM 220 CG ASP A 13 1.100 -0.995 -17.282 1.00 0.00 C ATOM 221 OD1 ASP A 13 1.760 -2.058 -17.248 1.00 0.00 O ATOM 222 OD2 ASP A 13 0.267 -0.719 -18.176 1.00 0.00 O ATOM 0 H ASP A 13 -1.179 0.076 -15.501 1.00 0.00 H new ATOM 0 HA ASP A 13 1.219 -1.245 -14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.882 0.997 -16.530 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.404 0.235 -16.113 1.00 0.00 H new ATOM 227 N LYS A 14 0.093 1.479 -13.325 1.00 0.00 N ATOM 228 CA LYS A 14 0.232 2.661 -12.492 1.00 0.00 C ATOM 229 C LYS A 14 -0.579 2.509 -11.223 1.00 0.00 C ATOM 230 O LYS A 14 -1.484 1.665 -11.144 1.00 0.00 O ATOM 231 CB LYS A 14 -0.203 3.907 -13.280 1.00 0.00 C ATOM 232 CG LYS A 14 -1.671 3.887 -13.730 1.00 0.00 C ATOM 233 CD LYS A 14 -1.844 3.996 -15.246 1.00 0.00 C ATOM 234 CE LYS A 14 -3.253 4.504 -15.538 1.00 0.00 C ATOM 235 NZ LYS A 14 -4.313 3.535 -15.186 1.00 0.00 N ATOM 0 H LYS A 14 -0.880 1.218 -13.485 1.00 0.00 H new ATOM 0 HA LYS A 14 1.278 2.779 -12.209 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.036 4.790 -12.663 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.433 4.007 -14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.137 2.964 -13.384 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.201 4.710 -13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.102 4.676 -15.664 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.687 3.025 -15.716 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.419 5.429 -14.986 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.331 4.747 -16.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.244 3.942 -15.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.178 2.660 -15.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.264 3.321 -14.170 1.00 0.00 H new ATOM 249 N ILE A 15 -0.277 3.401 -10.286 1.00 0.00 N ATOM 250 CA ILE A 15 -1.050 3.581 -9.069 1.00 0.00 C ATOM 251 C ILE A 15 -2.508 3.858 -9.468 1.00 0.00 C ATOM 252 O ILE A 15 -2.788 4.518 -10.474 1.00 0.00 O ATOM 253 CB ILE A 15 -0.404 4.691 -8.202 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.998 4.226 -7.742 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.289 5.035 -6.994 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.795 5.247 -6.928 1.00 0.00 C ATOM 0 H ILE A 15 0.525 4.028 -10.355 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.050 2.686 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.305 5.597 -8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.884 3.321 -7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.580 3.956 -8.623 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.811 5.817 -6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.260 5.386 -7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.425 4.146 -6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.761 4.821 -6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.949 6.147 -7.524 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.243 5.501 -6.023 1.00 0.00 H new ATOM 268 N SER A 16 -3.437 3.310 -8.695 1.00 0.00 N ATOM 269 CA SER A 16 -4.869 3.475 -8.865 1.00 0.00 C ATOM 270 C SER A 16 -5.362 4.869 -8.454 1.00 0.00 C ATOM 271 O SER A 16 -4.584 5.704 -7.990 1.00 0.00 O ATOM 272 CB SER A 16 -5.520 2.386 -8.029 1.00 0.00 C ATOM 273 OG SER A 16 -5.417 2.666 -6.647 1.00 0.00 O ATOM 0 H SER A 16 -3.200 2.715 -7.901 1.00 0.00 H new ATOM 0 HA SER A 16 -5.136 3.387 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.570 2.292 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.047 1.428 -8.244 1.00 0.00 H new ATOM 0 HG SER A 16 -6.312 2.810 -6.275 1.00 0.00 H new ATOM 279 N ASN A 17 -6.673 5.111 -8.563 1.00 0.00 N ATOM 280 CA ASN A 17 -7.263 6.379 -8.137 1.00 0.00 C ATOM 281 C ASN A 17 -7.665 6.373 -6.656 1.00 0.00 C ATOM 282 O ASN A 17 -7.575 7.416 -6.013 1.00 0.00 O ATOM 283 CB ASN A 17 -8.464 6.712 -9.021 1.00 0.00 C ATOM 284 CG ASN A 17 -8.976 8.124 -8.756 1.00 0.00 C ATOM 285 OD1 ASN A 17 -8.189 9.068 -8.751 1.00 0.00 O ATOM 286 ND2 ASN A 17 -10.271 8.304 -8.553 1.00 0.00 N ATOM 0 H ASN A 17 -7.344 4.443 -8.943 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.502 7.151 -8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.183 6.616 -10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.263 5.993 -8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.636 9.242 -8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.905 7.505 -8.562 1.00 0.00 H new ATOM 293 N SER A 18 -8.076 5.222 -6.112 1.00 0.00 N ATOM 294 CA SER A 18 -8.333 4.978 -4.688 1.00 0.00 C ATOM 295 C SER A 18 -8.108 3.488 -4.407 1.00 0.00 C ATOM 296 O SER A 18 -7.808 2.716 -5.323 1.00 0.00 O ATOM 297 CB SER A 18 -9.749 5.464 -4.300 1.00 0.00 C ATOM 298 OG SER A 18 -10.132 5.165 -2.972 1.00 0.00 O ATOM 0 H SER A 18 -8.247 4.394 -6.682 1.00 0.00 H new ATOM 0 HA SER A 18 -7.644 5.549 -4.066 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.800 6.543 -4.445 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.472 5.016 -4.982 1.00 0.00 H new ATOM 0 HG SER A 18 -11.036 5.506 -2.807 1.00 0.00 H new ATOM 304 N PHE A 19 -8.255 3.090 -3.146 1.00 0.00 N ATOM 305 CA PHE A 19 -8.232 1.733 -2.622 1.00 0.00 C ATOM 306 C PHE A 19 -9.428 0.935 -3.136 1.00 0.00 C ATOM 307 O PHE A 19 -9.296 -0.263 -3.353 1.00 0.00 O ATOM 308 CB PHE A 19 -8.258 1.807 -1.088 1.00 0.00 C ATOM 309 CG PHE A 19 -8.082 0.501 -0.335 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.186 -0.350 -0.125 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.838 0.181 0.243 1.00 0.00 C ATOM 312 CE1 PHE A 19 -9.045 -1.518 0.643 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.699 -0.985 1.015 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.799 -1.836 1.210 1.00 0.00 C ATOM 0 H PHE A 19 -8.406 3.771 -2.402 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.328 1.225 -2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.473 2.492 -0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.208 2.248 -0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.145 -0.103 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.990 0.833 0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.892 -2.170 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.745 -1.227 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.687 -2.736 1.796 1.00 0.00 H new ATOM 324 N GLU A 20 -10.597 1.562 -3.318 1.00 0.00 N ATOM 325 CA GLU A 20 -11.748 0.900 -3.948 1.00 0.00 C ATOM 326 C GLU A 20 -11.851 1.226 -5.432 1.00 0.00 C ATOM 327 O GLU A 20 -12.743 0.727 -6.109 1.00 0.00 O ATOM 328 CB GLU A 20 -13.056 1.274 -3.252 1.00 0.00 C ATOM 329 CG GLU A 20 -13.100 0.648 -1.859 1.00 0.00 C ATOM 330 CD GLU A 20 -14.495 0.152 -1.487 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.473 0.912 -1.674 1.00 0.00 O ATOM 332 OE2 GLU A 20 -14.578 -0.952 -0.897 1.00 0.00 O ATOM 0 H GLU A 20 -10.771 2.527 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.582 -0.172 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.141 2.358 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.904 0.928 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.398 -0.185 -1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.770 1.382 -1.123 1.00 0.00 H new ATOM 339 N ASP A 21 -10.959 2.062 -5.955 1.00 0.00 N ATOM 340 CA ASP A 21 -10.900 2.415 -7.367 1.00 0.00 C ATOM 341 C ASP A 21 -9.513 2.007 -7.846 1.00 0.00 C ATOM 342 O ASP A 21 -8.739 2.822 -8.359 1.00 0.00 O ATOM 343 CB ASP A 21 -11.259 3.901 -7.549 1.00 0.00 C ATOM 344 CG ASP A 21 -11.459 4.330 -9.003 1.00 0.00 C ATOM 345 OD1 ASP A 21 -11.463 3.487 -9.929 1.00 0.00 O ATOM 346 OD2 ASP A 21 -11.615 5.556 -9.223 1.00 0.00 O ATOM 0 H ASP A 21 -10.242 2.522 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.632 1.892 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.172 4.112 -6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.469 4.509 -7.109 1.00 0.00 H new ATOM 351 N CYS A 22 -9.196 0.733 -7.571 1.00 0.00 N ATOM 352 CA CYS A 22 -8.030 -0.030 -7.977 1.00 0.00 C ATOM 353 C CYS A 22 -8.494 -1.389 -8.493 1.00 0.00 C ATOM 354 O CYS A 22 -9.668 -1.744 -8.395 1.00 0.00 O ATOM 355 CB CYS A 22 -7.032 -0.203 -6.813 1.00 0.00 C ATOM 356 SG CYS A 22 -7.574 -1.430 -5.599 1.00 0.00 S ATOM 0 H CYS A 22 -9.821 0.163 -7.000 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.508 0.511 -8.766 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.062 -0.499 -7.213 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.892 0.756 -6.315 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.413 -0.881 -4.771 1.00 0.00 H new ATOM 362 N LYS A 23 -7.546 -2.143 -9.035 1.00 0.00 N ATOM 363 CA LYS A 23 -7.739 -3.450 -9.642 1.00 0.00 C ATOM 364 C LYS A 23 -6.943 -4.490 -8.866 1.00 0.00 C ATOM 365 O LYS A 23 -7.346 -5.647 -8.820 1.00 0.00 O ATOM 366 CB LYS A 23 -7.242 -3.397 -11.091 1.00 0.00 C ATOM 367 CG LYS A 23 -8.159 -2.686 -12.103 1.00 0.00 C ATOM 368 CD LYS A 23 -8.768 -1.341 -11.706 1.00 0.00 C ATOM 369 CE LYS A 23 -9.457 -0.716 -12.912 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.035 0.597 -12.582 1.00 0.00 N ATOM 0 H LYS A 23 -6.572 -1.842 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.795 -3.720 -9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.272 -2.901 -11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.081 -4.419 -11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.589 -2.536 -13.020 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.978 -3.364 -12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.485 -1.480 -10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.991 -0.674 -11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.740 -0.605 -13.725 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.243 -1.382 -13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.703 0.879 -13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.536 0.537 -11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.275 1.303 -12.513 1.00 0.00 H new ATOM 384 N TYR A 24 -5.829 -4.111 -8.231 1.00 0.00 N ATOM 385 CA TYR A 24 -5.071 -5.012 -7.379 1.00 0.00 C ATOM 386 C TYR A 24 -4.236 -4.254 -6.357 1.00 0.00 C ATOM 387 O TYR A 24 -4.166 -3.025 -6.369 1.00 0.00 O ATOM 388 CB TYR A 24 -4.203 -5.949 -8.237 1.00 0.00 C ATOM 389 CG TYR A 24 -3.076 -5.308 -9.016 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.343 -4.726 -10.265 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.754 -5.398 -8.549 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.290 -4.217 -11.050 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.695 -4.916 -9.334 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.955 -4.311 -10.585 1.00 0.00 C ATOM 395 OH TYR A 24 0.076 -3.798 -11.313 1.00 0.00 O ATOM 0 H TYR A 24 -5.434 -3.173 -8.297 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.778 -5.620 -6.814 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.775 -6.710 -7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.854 -6.465 -8.943 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.359 -4.668 -10.625 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.552 -5.839 -7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.500 -3.756 -12.004 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.322 -5.008 -8.981 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.274 -3.389 -12.132 1.00 0.00 H new ATOM 405 N PHE A 25 -3.584 -5.026 -5.497 1.00 0.00 N ATOM 406 CA PHE A 25 -2.638 -4.645 -4.477 1.00 0.00 C ATOM 407 C PHE A 25 -1.335 -5.397 -4.726 1.00 0.00 C ATOM 408 O PHE A 25 -1.286 -6.630 -4.709 1.00 0.00 O ATOM 409 CB PHE A 25 -3.193 -4.941 -3.088 1.00 0.00 C ATOM 410 CG PHE A 25 -4.541 -4.307 -2.835 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.635 -2.919 -2.627 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.699 -5.105 -2.839 1.00 0.00 C ATOM 413 CE1 PHE A 25 -5.891 -2.330 -2.391 1.00 0.00 C ATOM 414 CE2 PHE A 25 -6.954 -4.512 -2.612 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.050 -3.127 -2.384 1.00 0.00 C ATOM 0 H PHE A 25 -3.725 -6.036 -5.505 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.452 -3.572 -4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.277 -6.020 -2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.486 -4.586 -2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.745 -2.307 -2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.625 -6.168 -3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.965 -1.267 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.846 -5.121 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.014 -2.675 -2.203 1.00 0.00 H new ATOM 425 N LEU A 26 -0.293 -4.634 -5.023 1.00 0.00 N ATOM 426 CA LEU A 26 1.075 -5.064 -5.261 1.00 0.00 C ATOM 427 C LEU A 26 1.776 -5.063 -3.891 1.00 0.00 C ATOM 428 O LEU A 26 2.032 -3.999 -3.331 1.00 0.00 O ATOM 429 CB LEU A 26 1.665 -4.064 -6.275 1.00 0.00 C ATOM 430 CG LEU A 26 2.990 -4.407 -6.980 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.043 -5.804 -7.603 1.00 0.00 C ATOM 432 CD2 LEU A 26 3.159 -3.417 -8.132 1.00 0.00 C ATOM 0 H LEU A 26 -0.391 -3.622 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 26 1.184 -6.064 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.915 -3.899 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.804 -3.115 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 26 3.767 -4.361 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.013 -5.955 -8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.898 -6.555 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.256 -5.899 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.090 -3.627 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.321 -3.515 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.187 -2.401 -7.738 1.00 0.00 H new ATOM 444 N ILE A 27 1.969 -6.244 -3.304 1.00 0.00 N ATOM 445 CA ILE A 27 2.697 -6.572 -2.070 1.00 0.00 C ATOM 446 C ILE A 27 4.212 -6.362 -2.246 1.00 0.00 C ATOM 447 O ILE A 27 4.992 -7.312 -2.362 1.00 0.00 O ATOM 448 CB ILE A 27 2.393 -8.028 -1.619 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.884 -8.372 -1.711 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.894 -8.242 -0.173 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.061 -7.397 -0.989 1.00 0.00 C ATOM 0 H ILE A 27 1.578 -7.088 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 27 2.352 -5.893 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 27 2.919 -8.697 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.602 -8.413 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.731 -9.370 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.679 -9.264 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.969 -8.069 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.388 -7.545 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.092 -7.729 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.185 -7.371 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.053 -6.399 -1.412 1.00 0.00 H new ATOM 463 N VAL A 28 4.649 -5.111 -2.229 1.00 0.00 N ATOM 464 CA VAL A 28 6.059 -4.752 -2.223 1.00 0.00 C ATOM 465 C VAL A 28 6.629 -5.160 -0.866 1.00 0.00 C ATOM 466 O VAL A 28 6.419 -4.467 0.132 1.00 0.00 O ATOM 467 CB VAL A 28 6.253 -3.251 -2.500 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.725 -2.936 -2.803 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.424 -2.798 -3.709 1.00 0.00 C ATOM 0 H VAL A 28 4.024 -4.305 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 28 6.590 -5.274 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 28 5.928 -2.722 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.837 -1.869 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.341 -3.217 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.044 -3.498 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.582 -1.733 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.733 -3.357 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.367 -2.982 -3.515 1.00 0.00 H new ATOM 479 N ARG A 29 7.311 -6.302 -0.785 1.00 0.00 N ATOM 480 CA ARG A 29 8.153 -6.586 0.372 1.00 0.00 C ATOM 481 C ARG A 29 9.420 -5.763 0.201 1.00 0.00 C ATOM 482 O ARG A 29 10.004 -5.789 -0.883 1.00 0.00 O ATOM 483 CB ARG A 29 8.473 -8.082 0.470 1.00 0.00 C ATOM 484 CG ARG A 29 9.322 -8.432 1.702 1.00 0.00 C ATOM 485 CD ARG A 29 9.829 -9.873 1.645 1.00 0.00 C ATOM 486 NE ARG A 29 8.772 -10.875 1.831 1.00 0.00 N ATOM 487 CZ ARG A 29 8.955 -12.186 1.659 1.00 0.00 C ATOM 488 NH1 ARG A 29 10.043 -12.649 1.056 1.00 0.00 N ATOM 489 NH2 ARG A 29 8.040 -13.044 2.093 1.00 0.00 N ATOM 0 H ARG A 29 7.297 -7.034 -1.495 1.00 0.00 H new ATOM 0 HA ARG A 29 7.642 -6.322 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.541 -8.646 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.002 -8.395 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.170 -7.750 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.729 -8.290 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.313 -10.041 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.590 -10.012 2.413 1.00 0.00 H new ATOM 0 HE ARG A 29 7.845 -10.551 2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.753 -12.000 0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.169 -13.654 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.199 -12.701 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.178 -14.046 1.962 1.00 0.00 H new ATOM 503 N ILE A 30 9.883 -5.131 1.273 1.00 0.00 N ATOM 504 CA ILE A 30 11.248 -4.666 1.423 1.00 0.00 C ATOM 505 C ILE A 30 11.780 -5.432 2.617 1.00 0.00 C ATOM 506 O ILE A 30 11.110 -5.491 3.644 1.00 0.00 O ATOM 507 CB ILE A 30 11.304 -3.135 1.629 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.872 -2.370 0.366 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.713 -2.703 2.060 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.382 -2.025 0.323 1.00 0.00 C ATOM 0 H ILE A 30 9.298 -4.924 2.083 1.00 0.00 H new ATOM 0 HA ILE A 30 11.851 -4.845 0.533 1.00 0.00 H new ATOM 0 HB ILE A 30 10.598 -2.886 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.449 -1.448 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.121 -2.968 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.735 -1.622 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.974 -3.196 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.431 -2.983 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.160 -1.487 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.795 -2.943 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.129 -1.399 1.179 1.00 0.00 H new ATOM 522 N ASP A 31 12.947 -6.059 2.487 1.00 0.00 N ATOM 523 CA ASP A 31 13.422 -6.983 3.529 1.00 0.00 C ATOM 524 C ASP A 31 14.866 -6.758 3.941 1.00 0.00 C ATOM 525 O ASP A 31 15.420 -7.489 4.766 1.00 0.00 O ATOM 526 CB ASP A 31 13.174 -8.434 3.083 1.00 0.00 C ATOM 527 CG ASP A 31 12.737 -9.364 4.222 1.00 0.00 C ATOM 528 OD1 ASP A 31 12.526 -8.883 5.359 1.00 0.00 O ATOM 529 OD2 ASP A 31 12.549 -10.566 3.932 1.00 0.00 O ATOM 0 H ASP A 31 13.574 -5.952 1.690 1.00 0.00 H new ATOM 0 HA ASP A 31 12.844 -6.776 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.409 -8.440 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.086 -8.828 2.634 1.00 0.00 H new ATOM 534 N ASP A 32 15.455 -5.735 3.329 1.00 0.00 N ATOM 535 CA ASP A 32 16.783 -5.185 3.531 1.00 0.00 C ATOM 536 C ASP A 32 16.893 -4.133 2.440 1.00 0.00 C ATOM 537 O ASP A 32 17.458 -4.376 1.377 1.00 0.00 O ATOM 538 CB ASP A 32 17.851 -6.280 3.485 1.00 0.00 C ATOM 539 CG ASP A 32 19.284 -5.787 3.349 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.613 -4.699 3.857 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.089 -6.599 2.832 1.00 0.00 O ATOM 0 H ASP A 32 14.957 -5.220 2.603 1.00 0.00 H new ATOM 0 HA ASP A 32 16.943 -4.740 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.775 -6.877 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.632 -6.943 2.648 1.00 0.00 H new ATOM 546 N ASN A 33 16.144 -3.048 2.663 1.00 0.00 N ATOM 547 CA ASN A 33 16.049 -1.766 1.935 1.00 0.00 C ATOM 548 C ASN A 33 15.511 -1.828 0.513 1.00 0.00 C ATOM 549 O ASN A 33 14.902 -0.863 0.052 1.00 0.00 O ATOM 550 CB ASN A 33 17.360 -0.954 1.956 1.00 0.00 C ATOM 551 CG ASN A 33 18.201 -1.192 3.193 1.00 0.00 C ATOM 552 OD1 ASN A 33 19.344 -1.618 3.103 1.00 0.00 O ATOM 553 ND2 ASN A 33 17.627 -1.022 4.372 1.00 0.00 N ATOM 0 H ASN A 33 15.507 -3.042 3.459 1.00 0.00 H new ATOM 0 HA ASN A 33 15.287 -1.247 2.517 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.948 -1.206 1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.121 0.107 1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.138 -1.247 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.673 -0.666 4.428 1.00 0.00 H new ATOM 560 N GLU A 34 15.651 -2.963 -0.150 1.00 0.00 N ATOM 561 CA GLU A 34 15.339 -3.148 -1.552 1.00 0.00 C ATOM 562 C GLU A 34 14.076 -3.970 -1.703 1.00 0.00 C ATOM 563 O GLU A 34 13.654 -4.679 -0.781 1.00 0.00 O ATOM 564 CB GLU A 34 16.477 -3.945 -2.189 1.00 0.00 C ATOM 565 CG GLU A 34 17.818 -3.233 -2.235 1.00 0.00 C ATOM 566 CD GLU A 34 17.915 -2.207 -3.355 1.00 0.00 C ATOM 567 OE1 GLU A 34 17.215 -1.176 -3.299 1.00 0.00 O ATOM 568 OE2 GLU A 34 18.651 -2.467 -4.336 1.00 0.00 O ATOM 0 H GLU A 34 15.999 -3.813 0.294 1.00 0.00 H new ATOM 0 HA GLU A 34 15.208 -2.173 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.598 -4.878 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.189 -4.210 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.991 -2.736 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.610 -3.972 -2.358 1.00 0.00 H new ATOM 575 N VAL A 35 13.563 -3.941 -2.925 1.00 0.00 N ATOM 576 CA VAL A 35 12.384 -4.696 -3.327 1.00 0.00 C ATOM 577 C VAL A 35 12.720 -6.191 -3.322 1.00 0.00 C ATOM 578 O VAL A 35 13.637 -6.643 -4.010 1.00 0.00 O ATOM 579 CB VAL A 35 11.802 -4.152 -4.649 1.00 0.00 C ATOM 580 CG1 VAL A 35 12.759 -4.193 -5.853 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.496 -4.880 -5.005 1.00 0.00 C ATOM 0 H VAL A 35 13.962 -3.382 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 35 11.574 -4.566 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 35 11.617 -3.096 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.256 -3.789 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.644 -3.595 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.056 -5.224 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.101 -4.483 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.693 -5.946 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.766 -4.728 -4.209 1.00 0.00 H new ATOM 591 N LYS A 36 12.005 -6.952 -2.486 1.00 0.00 N ATOM 592 CA LYS A 36 12.273 -8.353 -2.155 1.00 0.00 C ATOM 593 C LYS A 36 11.083 -9.281 -2.442 1.00 0.00 C ATOM 594 O LYS A 36 11.211 -10.490 -2.281 1.00 0.00 O ATOM 595 CB LYS A 36 12.741 -8.442 -0.683 1.00 0.00 C ATOM 596 CG LYS A 36 14.241 -8.742 -0.533 1.00 0.00 C ATOM 597 CD LYS A 36 15.194 -7.618 -0.965 1.00 0.00 C ATOM 598 CE LYS A 36 15.918 -6.908 0.186 1.00 0.00 C ATOM 599 NZ LYS A 36 17.376 -6.748 -0.049 1.00 0.00 N ATOM 0 H LYS A 36 11.185 -6.589 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 36 13.068 -8.711 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.515 -7.501 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.171 -9.220 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.442 -8.981 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.474 -9.634 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.940 -8.034 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.627 -6.878 -1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.471 -5.925 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.765 -7.472 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.700 -5.855 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.887 -7.543 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.563 -6.734 -1.072 1.00 0.00 H new ATOM 613 N SER A 37 9.917 -8.770 -2.842 1.00 0.00 N ATOM 614 CA SER A 37 8.771 -9.488 -3.415 1.00 0.00 C ATOM 615 C SER A 37 7.792 -8.428 -3.935 1.00 0.00 C ATOM 616 O SER A 37 7.935 -7.255 -3.580 1.00 0.00 O ATOM 617 CB SER A 37 8.043 -10.369 -2.380 1.00 0.00 C ATOM 618 OG SER A 37 8.806 -11.478 -1.950 1.00 0.00 O ATOM 0 H SER A 37 9.733 -7.769 -2.770 1.00 0.00 H new ATOM 0 HA SER A 37 9.131 -10.151 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.782 -9.760 -1.515 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.108 -10.726 -2.812 1.00 0.00 H new ATOM 0 HG SER A 37 9.718 -11.404 -2.302 1.00 0.00 H new ATOM 624 N THR A 38 6.786 -8.837 -4.715 1.00 0.00 N ATOM 625 CA THR A 38 5.800 -7.930 -5.304 1.00 0.00 C ATOM 626 C THR A 38 4.354 -8.436 -5.211 1.00 0.00 C ATOM 627 O THR A 38 3.495 -7.678 -4.825 1.00 0.00 O ATOM 628 CB THR A 38 6.183 -7.595 -6.759 1.00 0.00 C ATOM 629 OG1 THR A 38 6.804 -8.697 -7.401 1.00 0.00 O ATOM 630 CG2 THR A 38 7.113 -6.382 -6.826 1.00 0.00 C ATOM 0 H THR A 38 6.633 -9.816 -4.956 1.00 0.00 H new ATOM 0 HA THR A 38 5.825 -7.019 -4.706 1.00 0.00 H new ATOM 0 HB THR A 38 5.255 -7.361 -7.280 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.033 -8.453 -8.322 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.364 -6.173 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.613 -5.516 -6.392 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.025 -6.592 -6.268 1.00 0.00 H new ATOM 638 N LYS A 39 4.035 -9.688 -5.520 1.00 0.00 N ATOM 639 CA LYS A 39 2.692 -10.281 -5.655 1.00 0.00 C ATOM 640 C LYS A 39 1.634 -9.481 -6.425 1.00 0.00 C ATOM 641 O LYS A 39 1.848 -8.360 -6.847 1.00 0.00 O ATOM 642 CB LYS A 39 2.173 -10.721 -4.270 1.00 0.00 C ATOM 643 CG LYS A 39 2.240 -12.203 -3.935 1.00 0.00 C ATOM 644 CD LYS A 39 3.678 -12.721 -3.796 1.00 0.00 C ATOM 645 CE LYS A 39 3.852 -13.967 -4.681 1.00 0.00 C ATOM 646 NZ LYS A 39 5.125 -14.679 -4.445 1.00 0.00 N ATOM 0 H LYS A 39 4.764 -10.379 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 39 2.847 -11.139 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.737 -10.179 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.134 -10.403 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.703 -12.384 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.729 -12.770 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.387 -11.947 -4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.890 -12.966 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.023 -14.651 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.799 -13.670 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.181 -15.507 -5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.922 -14.041 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.170 -14.991 -3.454 1.00 0.00 H new ATOM 660 N VAL A 40 0.456 -10.060 -6.624 1.00 0.00 N ATOM 661 CA VAL A 40 -0.726 -9.354 -7.091 1.00 0.00 C ATOM 662 C VAL A 40 -1.885 -10.001 -6.337 1.00 0.00 C ATOM 663 O VAL A 40 -2.244 -11.147 -6.603 1.00 0.00 O ATOM 664 CB VAL A 40 -0.835 -9.467 -8.635 1.00 0.00 C ATOM 665 CG1 VAL A 40 -2.176 -8.923 -9.133 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.274 -8.682 -9.369 1.00 0.00 C ATOM 0 H VAL A 40 0.295 -11.054 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.708 -8.282 -6.895 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.735 -10.530 -8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.225 -9.014 -10.218 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.989 -9.493 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.270 -7.874 -8.853 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.149 -8.796 -10.446 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.207 -7.626 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.250 -9.069 -9.074 1.00 0.00 H new ATOM 676 N ILE A 41 -2.440 -9.306 -5.347 1.00 0.00 N ATOM 677 CA ILE A 41 -3.726 -9.651 -4.750 1.00 0.00 C ATOM 678 C ILE A 41 -4.728 -8.757 -5.475 1.00 0.00 C ATOM 679 O ILE A 41 -4.594 -7.544 -5.355 1.00 0.00 O ATOM 680 CB ILE A 41 -3.691 -9.352 -3.235 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.610 -10.178 -2.508 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.072 -9.623 -2.621 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.619 -9.956 -0.989 1.00 0.00 C ATOM 0 H ILE A 41 -2.006 -8.481 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.983 -10.706 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.434 -8.300 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.765 -11.236 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.629 -9.915 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.043 -9.411 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.814 -8.983 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.341 -10.668 -2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.839 -10.561 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.436 -8.903 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.589 -10.246 -0.585 1.00 0.00 H new ATOM 695 N PHE A 42 -5.679 -9.282 -6.248 1.00 0.00 N ATOM 696 CA PHE A 42 -6.642 -8.409 -6.915 1.00 0.00 C ATOM 697 C PHE A 42 -7.525 -7.696 -5.882 1.00 0.00 C ATOM 698 O PHE A 42 -7.633 -8.097 -4.718 1.00 0.00 O ATOM 699 CB PHE A 42 -7.510 -9.190 -7.907 1.00 0.00 C ATOM 700 CG PHE A 42 -6.718 -9.806 -9.038 1.00 0.00 C ATOM 701 CD1 PHE A 42 -6.087 -8.986 -9.993 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.597 -11.201 -9.124 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.302 -9.564 -11.006 1.00 0.00 C ATOM 704 CE2 PHE A 42 -5.832 -11.775 -10.148 1.00 0.00 C ATOM 705 CZ PHE A 42 -5.179 -10.960 -11.087 1.00 0.00 C ATOM 0 H PHE A 42 -5.802 -10.279 -6.424 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.081 -7.662 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.041 -9.978 -7.373 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.265 -8.523 -8.323 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.206 -7.914 -9.947 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.093 -11.832 -8.401 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.794 -8.934 -11.721 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.744 -12.849 -10.216 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.584 -11.406 -11.870 1.00 0.00 H new ATOM 715 N ASN A 43 -8.171 -6.624 -6.332 1.00 0.00 N ATOM 716 CA ASN A 43 -9.167 -5.874 -5.591 1.00 0.00 C ATOM 717 C ASN A 43 -10.447 -6.702 -5.546 1.00 0.00 C ATOM 718 O ASN A 43 -11.344 -6.497 -6.361 1.00 0.00 O ATOM 719 CB ASN A 43 -9.384 -4.497 -6.244 1.00 0.00 C ATOM 720 CG ASN A 43 -10.524 -3.726 -5.573 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.830 -3.943 -4.401 1.00 0.00 O ATOM 722 ND2 ASN A 43 -11.182 -2.813 -6.266 1.00 0.00 N ATOM 0 H ASN A 43 -8.004 -6.242 -7.263 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.836 -5.687 -4.569 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.464 -3.915 -6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.607 -4.627 -7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.941 -2.290 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.931 -2.631 -7.238 1.00 0.00 H new ATOM 729 N ASP A 44 -10.509 -7.666 -4.633 1.00 0.00 N ATOM 730 CA ASP A 44 -11.679 -8.491 -4.381 1.00 0.00 C ATOM 731 C ASP A 44 -11.887 -8.560 -2.877 1.00 0.00 C ATOM 732 O ASP A 44 -10.997 -8.240 -2.080 1.00 0.00 O ATOM 733 CB ASP A 44 -11.502 -9.915 -4.944 1.00 0.00 C ATOM 734 CG ASP A 44 -12.016 -10.065 -6.376 1.00 0.00 C ATOM 735 OD1 ASP A 44 -13.232 -9.844 -6.598 1.00 0.00 O ATOM 736 OD2 ASP A 44 -11.231 -10.468 -7.257 1.00 0.00 O ATOM 0 H ASP A 44 -9.720 -7.900 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.542 -8.048 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.446 -10.182 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.027 -10.621 -4.301 1.00 0.00 H new ATOM 741 N GLU A 45 -13.049 -9.069 -2.488 1.00 0.00 N ATOM 742 CA GLU A 45 -13.437 -9.370 -1.128 1.00 0.00 C ATOM 743 C GLU A 45 -12.375 -10.237 -0.468 1.00 0.00 C ATOM 744 O GLU A 45 -11.959 -9.940 0.653 1.00 0.00 O ATOM 745 CB GLU A 45 -14.817 -10.050 -1.139 1.00 0.00 C ATOM 746 CG GLU A 45 -14.857 -11.522 -1.605 1.00 0.00 C ATOM 747 CD GLU A 45 -16.272 -12.083 -1.724 1.00 0.00 C ATOM 748 OE1 GLU A 45 -17.066 -11.925 -0.762 1.00 0.00 O ATOM 749 OE2 GLU A 45 -16.592 -12.711 -2.758 1.00 0.00 O ATOM 0 H GLU A 45 -13.785 -9.294 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.516 -8.454 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.230 -10.000 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.478 -9.470 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.360 -11.603 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.290 -12.133 -0.903 1.00 0.00 H new ATOM 756 N SER A 46 -11.930 -11.276 -1.184 1.00 0.00 N ATOM 757 CA SER A 46 -10.994 -12.272 -0.702 1.00 0.00 C ATOM 758 C SER A 46 -9.631 -11.613 -0.581 1.00 0.00 C ATOM 759 O SER A 46 -8.949 -11.818 0.418 1.00 0.00 O ATOM 760 CB SER A 46 -10.943 -13.442 -1.688 1.00 0.00 C ATOM 761 OG SER A 46 -10.425 -14.597 -1.063 1.00 0.00 O ATOM 0 H SER A 46 -12.227 -11.443 -2.145 1.00 0.00 H new ATOM 0 HA SER A 46 -11.303 -12.658 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.943 -13.646 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.323 -13.176 -2.544 1.00 0.00 H new ATOM 0 HG SER A 46 -10.401 -15.335 -1.707 1.00 0.00 H new ATOM 767 N GLY A 47 -9.282 -10.759 -1.551 1.00 0.00 N ATOM 768 CA GLY A 47 -8.078 -9.962 -1.527 1.00 0.00 C ATOM 769 C GLY A 47 -7.999 -9.152 -0.241 1.00 0.00 C ATOM 770 O GLY A 47 -7.105 -9.367 0.571 1.00 0.00 O ATOM 0 H GLY A 47 -9.849 -10.609 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.205 -10.609 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.061 -9.292 -2.387 1.00 0.00 H new ATOM 774 N LYS A 48 -8.967 -8.266 -0.009 1.00 0.00 N ATOM 775 CA LYS A 48 -9.023 -7.398 1.166 1.00 0.00 C ATOM 776 C LYS A 48 -9.054 -8.233 2.442 1.00 0.00 C ATOM 777 O LYS A 48 -8.373 -7.894 3.410 1.00 0.00 O ATOM 778 CB LYS A 48 -10.253 -6.478 1.043 1.00 0.00 C ATOM 779 CG LYS A 48 -10.064 -5.417 -0.055 1.00 0.00 C ATOM 780 CD LYS A 48 -11.356 -5.030 -0.793 1.00 0.00 C ATOM 781 CE LYS A 48 -12.276 -4.047 -0.045 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.040 -3.220 -1.007 1.00 0.00 N ATOM 0 H LYS A 48 -9.751 -8.129 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.130 -6.775 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.135 -7.078 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.435 -5.985 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.633 -4.521 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.342 -5.789 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.088 -4.590 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.919 -5.939 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.964 -4.599 0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.681 -3.405 0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.524 -2.453 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.389 -2.813 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.744 -3.812 -1.492 1.00 0.00 H new ATOM 796 N LYS A 49 -9.784 -9.352 2.453 1.00 0.00 N ATOM 797 CA LYS A 49 -9.773 -10.286 3.570 1.00 0.00 C ATOM 798 C LYS A 49 -8.361 -10.814 3.834 1.00 0.00 C ATOM 799 O LYS A 49 -7.989 -10.953 5.005 1.00 0.00 O ATOM 800 CB LYS A 49 -10.729 -11.451 3.282 1.00 0.00 C ATOM 801 CG LYS A 49 -12.195 -11.162 3.625 1.00 0.00 C ATOM 802 CD LYS A 49 -13.080 -12.290 3.066 1.00 0.00 C ATOM 803 CE LYS A 49 -14.220 -12.627 4.024 1.00 0.00 C ATOM 804 NZ LYS A 49 -15.351 -11.686 3.926 1.00 0.00 N ATOM 0 H LYS A 49 -10.397 -9.631 1.687 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.106 -9.758 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.659 -11.711 2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.401 -12.323 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.320 -11.088 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.497 -10.204 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.489 -11.990 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.473 -13.179 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.575 -13.636 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.841 -12.626 5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.094 -11.965 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.023 -10.725 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.735 -11.704 2.960 1.00 0.00 H new ATOM 818 N SER A 50 -7.609 -11.151 2.787 1.00 0.00 N ATOM 819 CA SER A 50 -6.251 -11.671 2.852 1.00 0.00 C ATOM 820 C SER A 50 -5.328 -10.616 3.446 1.00 0.00 C ATOM 821 O SER A 50 -4.532 -10.966 4.313 1.00 0.00 O ATOM 822 CB SER A 50 -5.776 -12.056 1.439 1.00 0.00 C ATOM 823 OG SER A 50 -4.899 -13.169 1.416 1.00 0.00 O ATOM 0 H SER A 50 -7.948 -11.064 1.829 1.00 0.00 H new ATOM 0 HA SER A 50 -6.231 -12.557 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.646 -12.277 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.274 -11.200 0.988 1.00 0.00 H new ATOM 0 HG SER A 50 -4.638 -13.361 0.491 1.00 0.00 H new ATOM 829 N ILE A 51 -5.437 -9.349 3.022 1.00 0.00 N ATOM 830 CA ILE A 51 -4.562 -8.256 3.461 1.00 0.00 C ATOM 831 C ILE A 51 -4.496 -8.232 4.992 1.00 0.00 C ATOM 832 O ILE A 51 -3.412 -8.128 5.555 1.00 0.00 O ATOM 833 CB ILE A 51 -5.037 -6.902 2.876 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.958 -6.878 1.336 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.200 -5.731 3.406 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.508 -5.596 0.702 1.00 0.00 C ATOM 0 H ILE A 51 -6.148 -9.051 2.354 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.554 -8.426 3.083 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.074 -6.793 3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.918 -7.003 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.509 -7.731 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.563 -4.799 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.286 -5.685 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.155 -5.876 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.416 -5.658 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.558 -5.478 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.942 -4.738 1.066 1.00 0.00 H new ATOM 848 N VAL A 52 -5.634 -8.385 5.673 1.00 0.00 N ATOM 849 CA VAL A 52 -5.684 -8.357 7.132 1.00 0.00 C ATOM 850 C VAL A 52 -4.883 -9.504 7.755 1.00 0.00 C ATOM 851 O VAL A 52 -4.349 -9.328 8.851 1.00 0.00 O ATOM 852 CB VAL A 52 -7.154 -8.346 7.602 1.00 0.00 C ATOM 853 CG1 VAL A 52 -7.315 -8.233 9.126 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.870 -7.150 6.968 1.00 0.00 C ATOM 0 H VAL A 52 -6.541 -8.531 5.229 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.208 -7.440 7.479 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.582 -9.300 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.375 -8.231 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.827 -9.081 9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.857 -7.306 9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.910 -7.134 7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.379 -6.227 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.832 -7.237 5.882 1.00 0.00 H new ATOM 864 N LYS A 53 -4.804 -10.676 7.114 1.00 0.00 N ATOM 865 CA LYS A 53 -4.007 -11.777 7.626 1.00 0.00 C ATOM 866 C LYS A 53 -2.545 -11.624 7.192 1.00 0.00 C ATOM 867 O LYS A 53 -1.662 -12.137 7.870 1.00 0.00 O ATOM 868 CB LYS A 53 -4.554 -13.135 7.154 1.00 0.00 C ATOM 869 CG LYS A 53 -6.078 -13.356 7.112 1.00 0.00 C ATOM 870 CD LYS A 53 -6.905 -12.873 8.316 1.00 0.00 C ATOM 871 CE LYS A 53 -6.513 -13.458 9.677 1.00 0.00 C ATOM 872 NZ LYS A 53 -6.974 -14.848 9.888 1.00 0.00 N ATOM 0 H LYS A 53 -5.287 -10.878 6.238 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.064 -11.748 8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.169 -13.313 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.128 -13.903 7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.464 -12.862 6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.259 -14.424 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.827 -11.787 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.953 -13.108 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.428 -13.427 9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.923 -12.826 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.672 -15.175 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.012 -14.883 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.563 -15.465 9.159 1.00 0.00 H new ATOM 886 N GLU A 54 -2.283 -10.936 6.077 1.00 0.00 N ATOM 887 CA GLU A 54 -0.948 -10.676 5.555 1.00 0.00 C ATOM 888 C GLU A 54 -0.210 -9.766 6.540 1.00 0.00 C ATOM 889 O GLU A 54 -0.812 -9.028 7.327 1.00 0.00 O ATOM 890 CB GLU A 54 -1.059 -10.044 4.149 1.00 0.00 C ATOM 891 CG GLU A 54 0.042 -10.424 3.139 1.00 0.00 C ATOM 892 CD GLU A 54 1.450 -9.968 3.530 1.00 0.00 C ATOM 893 OE1 GLU A 54 1.789 -8.789 3.328 1.00 0.00 O ATOM 894 OE2 GLU A 54 2.197 -10.816 4.074 1.00 0.00 O ATOM 0 H GLU A 54 -3.021 -10.534 5.498 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.381 -11.601 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.023 -10.322 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.061 -8.960 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.046 -11.507 3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.209 -9.994 2.169 1.00 0.00 H new ATOM 901 N ASN A 55 1.115 -9.804 6.503 1.00 0.00 N ATOM 902 CA ASN A 55 1.999 -9.051 7.377 1.00 0.00 C ATOM 903 C ASN A 55 2.202 -7.621 6.852 1.00 0.00 C ATOM 904 O ASN A 55 3.269 -7.058 7.101 1.00 0.00 O ATOM 905 CB ASN A 55 3.337 -9.810 7.523 1.00 0.00 C ATOM 906 CG ASN A 55 3.190 -11.098 8.320 1.00 0.00 C ATOM 907 OD1 ASN A 55 2.560 -12.053 7.867 1.00 0.00 O ATOM 908 ND2 ASN A 55 3.777 -11.183 9.501 1.00 0.00 N ATOM 0 H ASN A 55 1.622 -10.385 5.835 1.00 0.00 H new ATOM 0 HA ASN A 55 1.546 -8.959 8.364 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.730 -10.042 6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.066 -9.164 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.709 -12.044 10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.298 -10.387 9.870 1.00 0.00 H new ATOM 915 N VAL A 56 1.251 -7.011 6.120 1.00 0.00 N ATOM 916 CA VAL A 56 1.471 -5.669 5.578 1.00 0.00 C ATOM 917 C VAL A 56 1.764 -4.717 6.739 1.00 0.00 C ATOM 918 O VAL A 56 1.089 -4.758 7.774 1.00 0.00 O ATOM 919 CB VAL A 56 0.329 -5.099 4.711 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.914 -4.071 3.736 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.445 -6.092 3.848 1.00 0.00 C ATOM 0 H VAL A 56 0.344 -7.420 5.897 1.00 0.00 H new ATOM 0 HA VAL A 56 2.314 -5.760 4.893 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.374 -4.700 5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.116 -3.661 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.388 -3.266 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.655 -4.554 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.218 -5.564 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.238 -6.578 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.909 -6.844 4.486 1.00 0.00 H new ATOM 931 N ASN A 57 2.786 -3.893 6.542 1.00 0.00 N ATOM 932 CA ASN A 57 3.215 -2.835 7.439 1.00 0.00 C ATOM 933 C ASN A 57 2.363 -1.599 7.215 1.00 0.00 C ATOM 934 O ASN A 57 1.912 -0.965 8.169 1.00 0.00 O ATOM 935 CB ASN A 57 4.689 -2.522 7.154 1.00 0.00 C ATOM 936 CG ASN A 57 5.437 -2.473 8.460 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.603 -3.501 9.109 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.874 -1.317 8.890 1.00 0.00 N ATOM 0 H ASN A 57 3.367 -3.951 5.706 1.00 0.00 H new ATOM 0 HA ASN A 57 3.101 -3.151 8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.117 -3.284 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.778 -1.569 6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.365 -1.257 9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.724 -0.476 8.333 1.00 0.00 H new ATOM 945 N ALA A 58 2.141 -1.262 5.943 1.00 0.00 N ATOM 946 CA ALA A 58 1.556 0.000 5.551 1.00 0.00 C ATOM 947 C ALA A 58 0.899 -0.121 4.174 1.00 0.00 C ATOM 948 O ALA A 58 1.200 -1.044 3.421 1.00 0.00 O ATOM 949 CB ALA A 58 2.670 1.052 5.542 1.00 0.00 C ATOM 0 H ALA A 58 2.368 -1.871 5.157 1.00 0.00 H new ATOM 0 HA ALA A 58 0.777 0.295 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.257 2.017 5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.104 1.131 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.443 0.758 4.832 1.00 0.00 H new ATOM 955 N ILE A 59 0.018 0.803 3.811 1.00 0.00 N ATOM 956 CA ILE A 59 -0.549 0.917 2.473 1.00 0.00 C ATOM 957 C ILE A 59 -0.025 2.239 1.886 1.00 0.00 C ATOM 958 O ILE A 59 0.063 3.232 2.611 1.00 0.00 O ATOM 959 CB ILE A 59 -2.093 0.893 2.558 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.604 -0.377 3.275 1.00 0.00 C ATOM 961 CG2 ILE A 59 -2.675 0.924 1.132 1.00 0.00 C ATOM 962 CD1 ILE A 59 -3.989 -0.226 3.915 1.00 0.00 C ATOM 0 H ILE A 59 -0.331 1.512 4.456 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.257 0.086 1.831 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.414 1.764 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.636 -1.197 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.888 -0.657 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.764 0.907 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.349 1.833 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.324 0.054 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.271 -1.162 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.961 0.570 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.720 0.021 3.146 1.00 0.00 H new ATOM 974 N ILE A 60 0.301 2.278 0.594 1.00 0.00 N ATOM 975 CA ILE A 60 0.464 3.485 -0.215 1.00 0.00 C ATOM 976 C ILE A 60 -0.826 3.535 -1.034 1.00 0.00 C ATOM 977 O ILE A 60 -1.116 2.544 -1.715 1.00 0.00 O ATOM 978 CB ILE A 60 1.753 3.348 -1.080 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.977 3.297 -0.153 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.982 4.439 -2.131 1.00 0.00 C ATOM 981 CD1 ILE A 60 4.331 3.162 -0.863 1.00 0.00 C ATOM 0 H ILE A 60 0.467 1.427 0.057 1.00 0.00 H new ATOM 0 HA ILE A 60 0.598 4.408 0.348 1.00 0.00 H new ATOM 0 HB ILE A 60 1.610 2.428 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.992 4.203 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.859 2.457 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.908 4.237 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.149 4.448 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.052 5.409 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.130 3.135 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.346 2.241 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.481 4.014 -1.526 1.00 0.00 H new ATOM 993 N CYS A 61 -1.611 4.612 -0.960 1.00 0.00 N ATOM 994 CA CYS A 61 -2.755 4.872 -1.826 1.00 0.00 C ATOM 995 C CYS A 61 -2.903 6.371 -2.089 1.00 0.00 C ATOM 996 O CYS A 61 -2.622 7.198 -1.222 1.00 0.00 O ATOM 997 CB CYS A 61 -4.040 4.318 -1.203 1.00 0.00 C ATOM 998 SG CYS A 61 -4.350 5.102 0.408 1.00 0.00 S ATOM 0 H CYS A 61 -1.460 5.349 -0.272 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.582 4.367 -2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.883 4.498 -1.871 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.956 3.238 -1.079 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.804 6.282 0.429 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.469 6.731 -3.242 1.00 0.00 N ATOM 1005 CA LYS A 62 -3.989 8.080 -3.440 1.00 0.00 C ATOM 1006 C LYS A 62 -5.176 8.306 -2.508 1.00 0.00 C ATOM 1007 O LYS A 62 -5.255 9.340 -1.863 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.428 8.310 -4.890 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.286 8.193 -5.907 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.756 8.740 -7.257 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.789 8.488 -8.416 1.00 0.00 C ATOM 1012 NZ LYS A 62 -1.528 9.247 -8.286 1.00 0.00 N ATOM 0 H LYS A 62 -3.577 6.112 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.190 8.787 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.204 7.588 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.875 9.301 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.415 8.749 -5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.980 7.152 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.719 8.292 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.918 9.814 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.563 7.423 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.275 8.758 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.296 9.694 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.638 9.982 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.761 8.601 -8.012 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.110 7.361 -2.437 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.357 7.538 -1.699 1.00 0.00 C ATOM 1028 C ASN A 63 -7.802 6.198 -1.145 1.00 0.00 C ATOM 1029 O ASN A 63 -7.257 5.159 -1.524 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.405 8.189 -2.622 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.285 9.710 -2.562 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.177 10.305 -1.496 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -8.188 10.367 -3.702 1.00 0.00 N ATOM 0 H ASN A 63 -6.023 6.451 -2.890 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.220 8.207 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.262 7.845 -3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.407 7.883 -2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.023 11.373 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.278 9.868 -4.587 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.764 6.204 -0.229 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.266 5.017 0.443 1.00 0.00 C ATOM 1042 C ILE A 64 -10.665 5.329 0.964 1.00 0.00 C ATOM 1043 O ILE A 64 -10.812 6.216 1.802 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.284 4.546 1.556 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.962 3.491 2.461 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.669 5.701 2.377 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -8.019 2.696 3.373 1.00 0.00 C ATOM 0 H ILE A 64 -9.228 7.061 0.073 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.334 4.178 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.438 4.082 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.702 3.994 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.503 2.789 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.997 5.293 3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.111 6.362 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.464 6.264 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.597 1.985 3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.293 2.156 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.495 3.381 4.040 1.00 0.00 H new ATOM 1059 N SER A 65 -11.676 4.579 0.511 1.00 0.00 N ATOM 1060 CA SER A 65 -13.044 4.738 0.989 1.00 0.00 C ATOM 1061 C SER A 65 -13.087 4.686 2.513 1.00 0.00 C ATOM 1062 O SER A 65 -12.410 3.852 3.106 1.00 0.00 O ATOM 1063 CB SER A 65 -13.941 3.644 0.419 1.00 0.00 C ATOM 1064 OG SER A 65 -13.983 3.685 -0.996 1.00 0.00 O ATOM 0 H SER A 65 -11.565 3.850 -0.194 1.00 0.00 H new ATOM 0 HA SER A 65 -13.408 5.709 0.653 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.577 2.669 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.950 3.757 0.816 1.00 0.00 H new ATOM 0 HG SER A 65 -14.478 2.908 -1.331 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.880 5.552 3.129 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.993 5.734 4.571 1.00 0.00 C ATOM 1072 C GLU A 66 -14.251 4.409 5.301 1.00 0.00 C ATOM 1073 O GLU A 66 -13.586 4.128 6.301 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.089 6.779 4.786 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.501 6.975 6.240 1.00 0.00 C ATOM 1076 CD GLU A 66 -16.421 8.188 6.431 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -17.125 8.599 5.479 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -16.458 8.708 7.570 1.00 0.00 O ATOM 0 H GLU A 66 -14.494 6.180 2.610 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.057 6.088 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.746 7.734 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.967 6.490 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.009 6.078 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.609 7.099 6.854 1.00 0.00 H new ATOM 1085 N GLU A 67 -15.139 3.562 4.768 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.477 2.258 5.352 1.00 0.00 C ATOM 1087 C GLU A 67 -14.300 1.272 5.317 1.00 0.00 C ATOM 1088 O GLU A 67 -14.263 0.296 6.068 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.654 1.650 4.572 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.759 1.117 5.503 1.00 0.00 C ATOM 1091 CD GLU A 67 -18.888 0.391 4.754 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -18.708 -0.019 3.581 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -19.979 0.189 5.333 1.00 0.00 O ATOM 0 H GLU A 67 -15.650 3.765 3.909 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.737 2.426 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.075 2.404 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.289 0.838 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.316 0.434 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.182 1.949 6.066 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.346 1.492 4.409 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.047 0.813 4.429 1.00 0.00 C ATOM 1102 C ASN A 68 -11.088 1.552 5.363 1.00 0.00 C ATOM 1103 O ASN A 68 -10.351 0.899 6.093 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.411 0.692 3.029 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.015 -0.423 2.182 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -11.936 -1.605 2.515 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.580 -0.064 1.042 1.00 0.00 N ATOM 0 H ASN A 68 -13.453 2.149 3.636 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.226 -0.199 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.526 1.640 2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.341 0.516 3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.962 -0.773 0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.634 0.922 0.788 1.00 0.00 H new ATOM 1114 N TYR A 69 -11.054 2.887 5.363 1.00 0.00 N ATOM 1115 CA TYR A 69 -10.090 3.663 6.137 1.00 0.00 C ATOM 1116 C TYR A 69 -10.178 3.311 7.615 1.00 0.00 C ATOM 1117 O TYR A 69 -9.200 2.805 8.165 1.00 0.00 O ATOM 1118 CB TYR A 69 -10.240 5.174 5.920 1.00 0.00 C ATOM 1119 CG TYR A 69 -9.173 5.929 6.690 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -7.890 6.058 6.136 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -9.406 6.375 8.006 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -6.845 6.632 6.873 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -8.361 6.950 8.755 1.00 0.00 C ATOM 1124 CZ TYR A 69 -7.071 7.085 8.191 1.00 0.00 C ATOM 1125 OH TYR A 69 -6.037 7.613 8.904 1.00 0.00 O ATOM 0 H TYR A 69 -11.700 3.461 4.821 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.099 3.393 5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.162 5.404 4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.229 5.498 6.245 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.706 5.711 5.130 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.389 6.276 8.442 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.864 6.728 6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.545 7.289 9.764 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.354 7.879 9.792 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.348 3.515 8.236 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.549 3.249 9.665 1.00 0.00 C ATOM 1137 C LYS A 70 -11.253 1.790 10.023 1.00 0.00 C ATOM 1138 O LYS A 70 -10.991 1.470 11.187 1.00 0.00 O ATOM 1139 CB LYS A 70 -13.002 3.553 10.057 1.00 0.00 C ATOM 1140 CG LYS A 70 -13.464 4.997 9.832 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.902 5.152 10.358 1.00 0.00 C ATOM 1142 CE LYS A 70 -15.704 6.226 9.621 1.00 0.00 C ATOM 1143 NZ LYS A 70 -15.108 7.570 9.737 1.00 0.00 N ATOM 0 H LYS A 70 -12.179 3.868 7.762 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.858 3.893 10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.657 2.889 9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.133 3.309 11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.798 5.690 10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.423 5.244 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.419 4.197 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.869 5.398 11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.779 5.957 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.719 6.249 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.533 8.201 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.288 7.949 10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.082 7.510 9.577 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.328 0.897 9.038 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.132 -0.525 9.197 1.00 0.00 C ATOM 1159 C LYS A 71 -9.647 -0.881 9.176 1.00 0.00 C ATOM 1160 O LYS A 71 -9.174 -1.613 10.048 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.939 -1.209 8.093 1.00 0.00 C ATOM 1162 CG LYS A 71 -12.097 -2.687 8.399 1.00 0.00 C ATOM 1163 CD LYS A 71 -13.076 -3.344 7.434 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.536 -4.689 7.990 1.00 0.00 C ATOM 1165 NZ LYS A 71 -12.427 -5.631 8.229 1.00 0.00 N ATOM 0 H LYS A 71 -11.535 1.164 8.075 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.486 -0.874 10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.920 -0.741 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.438 -1.080 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.128 -3.181 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.449 -2.814 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.936 -2.693 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.602 -3.486 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.071 -4.524 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.243 -5.140 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.812 -6.569 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.838 -5.698 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.847 -5.291 9.023 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.908 -0.400 8.177 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.502 -0.732 7.991 1.00 0.00 C ATOM 1181 C PHE A 72 -6.592 0.077 8.918 1.00 0.00 C ATOM 1182 O PHE A 72 -5.526 -0.428 9.286 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.115 -0.600 6.511 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.522 -1.818 5.692 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -8.804 -1.916 5.116 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -6.631 -2.900 5.563 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -9.190 -3.070 4.414 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -7.020 -4.064 4.879 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.296 -4.147 4.291 1.00 0.00 C ATOM 0 H PHE A 72 -9.275 0.237 7.469 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.355 -1.774 8.276 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.587 0.289 6.093 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.037 -0.456 6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.498 -1.094 5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.642 -2.835 5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.172 -3.129 3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.338 -4.898 4.804 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.587 -5.034 3.748 1.00 0.00 H new ATOM 1199 N SER A 73 -7.021 1.257 9.388 1.00 0.00 N ATOM 1200 CA SER A 73 -6.265 2.083 10.331 1.00 0.00 C ATOM 1201 C SER A 73 -5.996 1.383 11.672 1.00 0.00 C ATOM 1202 O SER A 73 -5.224 1.886 12.485 1.00 0.00 O ATOM 1203 CB SER A 73 -6.991 3.420 10.539 1.00 0.00 C ATOM 1204 OG SER A 73 -8.300 3.214 11.031 1.00 0.00 O ATOM 0 H SER A 73 -7.915 1.667 9.118 1.00 0.00 H new ATOM 0 HA SER A 73 -5.284 2.263 9.892 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.429 4.038 11.239 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.035 3.965 9.596 1.00 0.00 H new ATOM 0 HG SER A 73 -8.907 3.038 10.282 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.585 0.201 11.909 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.436 -0.586 13.127 1.00 0.00 C ATOM 1212 C LYS A 74 -4.981 -0.766 13.575 1.00 0.00 C ATOM 1213 O LYS A 74 -4.736 -0.778 14.776 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.172 -1.935 12.978 1.00 0.00 C ATOM 1215 CG LYS A 74 -6.590 -2.925 11.935 1.00 0.00 C ATOM 1216 CD LYS A 74 -6.082 -4.246 12.549 1.00 0.00 C ATOM 1217 CE LYS A 74 -5.038 -4.924 11.640 1.00 0.00 C ATOM 1218 NZ LYS A 74 -4.445 -6.139 12.250 1.00 0.00 N ATOM 0 H LYS A 74 -7.200 -0.243 11.227 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.902 -0.018 13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.181 -2.429 13.950 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.210 -1.731 12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.357 -3.150 11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.769 -2.441 11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.642 -4.049 13.527 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.922 -4.922 12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.507 -5.191 10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.244 -4.213 11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.751 -6.553 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.972 -5.885 13.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.196 -6.833 12.442 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.034 -0.974 12.654 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.643 -1.336 12.977 1.00 0.00 C ATOM 1234 C LYS A 75 -1.704 -1.157 11.776 1.00 0.00 C ATOM 1235 O LYS A 75 -0.560 -1.605 11.819 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.608 -2.806 13.456 1.00 0.00 C ATOM 1237 CG LYS A 75 -2.203 -3.038 14.921 1.00 0.00 C ATOM 1238 CD LYS A 75 -0.730 -2.754 15.251 1.00 0.00 C ATOM 1239 CE LYS A 75 -0.391 -3.503 16.549 1.00 0.00 C ATOM 1240 NZ LYS A 75 1.011 -3.339 16.978 1.00 0.00 N ATOM 0 H LYS A 75 -4.210 -0.896 11.652 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.291 -0.668 13.763 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.596 -3.239 13.302 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.916 -3.357 12.819 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.828 -2.410 15.557 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.423 -4.073 15.181 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.085 -3.086 14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.564 -1.684 15.372 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.049 -3.151 17.344 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.598 -4.564 16.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.169 -3.870 17.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.645 -3.700 16.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.208 -2.331 17.141 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.201 -0.623 10.663 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.496 -0.504 9.394 1.00 0.00 C ATOM 1256 C ILE A 76 -1.485 0.987 9.105 1.00 0.00 C ATOM 1257 O ILE A 76 -2.542 1.627 9.134 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.232 -1.307 8.294 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.301 -2.816 8.620 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.569 -1.112 6.920 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.306 -3.569 7.741 1.00 0.00 C ATOM 0 H ILE A 76 -3.148 -0.246 10.622 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.485 -0.909 9.425 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.249 -0.916 8.261 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.312 -3.256 8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.574 -2.945 9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.110 -1.689 6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.592 -0.056 6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.535 -1.453 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.311 -4.624 8.016 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.302 -3.151 7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.021 -3.468 6.694 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.308 1.547 8.853 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.190 2.943 8.464 1.00 0.00 C ATOM 1275 C GLU A 77 -0.649 3.087 7.022 1.00 0.00 C ATOM 1276 O GLU A 77 -0.272 2.302 6.158 1.00 0.00 O ATOM 1277 CB GLU A 77 1.260 3.406 8.552 1.00 0.00 C ATOM 1278 CG GLU A 77 1.747 3.502 9.994 1.00 0.00 C ATOM 1279 CD GLU A 77 3.210 3.969 10.075 1.00 0.00 C ATOM 1280 OE1 GLU A 77 4.041 3.523 9.246 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.494 4.850 10.921 1.00 0.00 O ATOM 0 H GLU A 77 0.581 1.051 8.912 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.801 3.547 9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.895 2.712 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.359 4.379 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.113 4.196 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.649 2.529 10.476 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.422 4.118 6.735 1.00 0.00 N ATOM 1289 CA ILE A 78 -1.795 4.477 5.376 1.00 0.00 C ATOM 1290 C ILE A 78 -1.009 5.724 4.984 1.00 0.00 C ATOM 1291 O ILE A 78 -0.941 6.673 5.764 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.320 4.648 5.320 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.004 3.341 5.798 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -3.742 4.967 3.880 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -4.735 3.463 7.136 1.00 0.00 C ATOM 0 H ILE A 78 -1.813 4.737 7.445 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.544 3.704 4.650 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.624 5.467 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.715 3.018 5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.249 2.559 5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.824 5.089 3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.260 5.889 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.442 4.150 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.184 2.504 7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.027 3.753 7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.516 4.219 7.056 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.404 5.729 3.796 1.00 0.00 N ATOM 1308 CA TYR A 79 0.393 6.831 3.277 1.00 0.00 C ATOM 1309 C TYR A 79 -0.239 7.372 1.998 1.00 0.00 C ATOM 1310 O TYR A 79 -0.902 6.621 1.280 1.00 0.00 O ATOM 1311 CB TYR A 79 1.844 6.392 3.054 1.00 0.00 C ATOM 1312 CG TYR A 79 2.641 6.116 4.322 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.485 4.928 5.063 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.581 7.070 4.751 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.311 4.678 6.178 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.379 6.846 5.884 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.248 5.645 6.608 1.00 0.00 C ATOM 1318 OH TYR A 79 4.972 5.468 7.747 1.00 0.00 O ATOM 0 H TYR A 79 -0.459 4.940 3.152 1.00 0.00 H new ATOM 0 HA TYR A 79 0.410 7.637 4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.844 5.491 2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.357 7.166 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.732 4.208 4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.691 7.992 4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.227 3.740 6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.092 7.593 6.200 1.00 0.00 H new ATOM 0 HH TYR A 79 4.811 4.568 8.101 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.019 8.664 1.729 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.570 9.409 0.608 1.00 0.00 C ATOM 1330 C HIS A 80 0.454 9.525 -0.513 1.00 0.00 C ATOM 1331 O HIS A 80 1.636 9.778 -0.253 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.970 10.830 1.046 1.00 0.00 C ATOM 1333 CG HIS A 80 -2.001 11.457 0.132 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -2.146 12.800 -0.140 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.941 10.789 -0.605 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -3.163 12.928 -1.018 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.660 11.727 -1.341 1.00 0.00 N ATOM 0 H HIS A 80 0.579 9.240 2.321 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.448 8.869 0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.365 10.795 2.061 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.082 11.461 1.071 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.098 9.720 -0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.526 13.868 -1.406 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.417 11.537 -1.998 1.00 0.00 H new ATOM 1345 N ALA A 81 0.026 9.283 -1.749 1.00 0.00 N ATOM 1346 CA ALA A 81 0.896 9.355 -2.906 1.00 0.00 C ATOM 1347 C ALA A 81 1.184 10.817 -3.252 1.00 0.00 C ATOM 1348 O ALA A 81 0.383 11.711 -2.979 1.00 0.00 O ATOM 1349 CB ALA A 81 0.236 8.659 -4.104 1.00 0.00 C ATOM 0 H ALA A 81 -0.937 9.031 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 81 1.834 8.851 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.897 8.718 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.050 7.613 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.709 9.151 -4.335 1.00 0.00 H new ATOM 1355 N GLU A 82 2.278 11.019 -3.972 1.00 0.00 N ATOM 1356 CA GLU A 82 2.729 12.259 -4.575 1.00 0.00 C ATOM 1357 C GLU A 82 3.040 11.998 -6.058 1.00 0.00 C ATOM 1358 O GLU A 82 3.902 12.643 -6.656 1.00 0.00 O ATOM 1359 CB GLU A 82 3.952 12.756 -3.782 1.00 0.00 C ATOM 1360 CG GLU A 82 3.629 13.347 -2.401 1.00 0.00 C ATOM 1361 CD GLU A 82 2.857 14.682 -2.388 1.00 0.00 C ATOM 1362 OE1 GLU A 82 2.417 15.203 -3.443 1.00 0.00 O ATOM 1363 OE2 GLU A 82 2.713 15.269 -1.289 1.00 0.00 O ATOM 0 H GLU A 82 2.925 10.254 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 82 1.968 13.038 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.645 11.925 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.468 13.512 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.049 12.612 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.566 13.489 -1.863 1.00 0.00 H new ATOM 1370 N GLY A 83 2.392 11.001 -6.667 1.00 0.00 N ATOM 1371 CA GLY A 83 2.616 10.666 -8.058 1.00 0.00 C ATOM 1372 C GLY A 83 1.800 9.460 -8.488 1.00 0.00 C ATOM 1373 O GLY A 83 1.245 8.736 -7.660 1.00 0.00 O ATOM 0 H GLY A 83 1.701 10.411 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.358 11.521 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.675 10.463 -8.217 1.00 0.00 H new ATOM 1377 N ASP A 84 1.762 9.245 -9.799 1.00 0.00 N ATOM 1378 CA ASP A 84 1.300 8.008 -10.434 1.00 0.00 C ATOM 1379 C ASP A 84 2.470 7.047 -10.603 1.00 0.00 C ATOM 1380 O ASP A 84 2.266 5.837 -10.698 1.00 0.00 O ATOM 1381 CB ASP A 84 0.736 8.302 -11.835 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.459 9.254 -11.917 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -0.870 9.838 -10.885 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -0.932 9.449 -13.060 1.00 0.00 O ATOM 0 H ASP A 84 2.061 9.948 -10.474 1.00 0.00 H new ATOM 0 HA ASP A 84 0.528 7.572 -9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.540 8.715 -12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.446 7.354 -12.289 1.00 0.00 H new ATOM 1389 N ASP A 85 3.682 7.612 -10.644 1.00 0.00 N ATOM 1390 CA ASP A 85 4.946 6.918 -10.791 1.00 0.00 C ATOM 1391 C ASP A 85 5.156 6.070 -9.545 1.00 0.00 C ATOM 1392 O ASP A 85 5.451 6.588 -8.459 1.00 0.00 O ATOM 1393 CB ASP A 85 6.082 7.933 -10.960 1.00 0.00 C ATOM 1394 CG ASP A 85 7.343 7.370 -11.590 1.00 0.00 C ATOM 1395 OD1 ASP A 85 8.015 6.545 -10.950 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.686 7.762 -12.732 1.00 0.00 O ATOM 0 H ASP A 85 3.803 8.622 -10.571 1.00 0.00 H new ATOM 0 HA ASP A 85 4.938 6.281 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.724 8.761 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.332 8.345 -9.982 1.00 0.00 H new ATOM 1401 N VAL A 86 4.941 4.769 -9.694 1.00 0.00 N ATOM 1402 CA VAL A 86 5.244 3.771 -8.685 1.00 0.00 C ATOM 1403 C VAL A 86 6.691 3.952 -8.231 1.00 0.00 C ATOM 1404 O VAL A 86 6.935 3.985 -7.030 1.00 0.00 O ATOM 1405 CB VAL A 86 4.989 2.365 -9.263 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.485 1.262 -8.319 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.501 2.137 -9.545 1.00 0.00 C ATOM 0 H VAL A 86 4.540 4.372 -10.544 1.00 0.00 H new ATOM 0 HA VAL A 86 4.599 3.890 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 86 5.548 2.314 -10.197 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.287 0.287 -8.763 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.557 1.376 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.964 1.339 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.357 1.136 -9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.936 2.237 -8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.150 2.875 -10.266 1.00 0.00 H new ATOM 1417 N ASP A 87 7.645 4.118 -9.148 1.00 0.00 N ATOM 1418 CA ASP A 87 9.056 4.167 -8.774 1.00 0.00 C ATOM 1419 C ASP A 87 9.316 5.401 -7.922 1.00 0.00 C ATOM 1420 O ASP A 87 10.027 5.314 -6.920 1.00 0.00 O ATOM 1421 CB ASP A 87 9.993 4.180 -9.989 1.00 0.00 C ATOM 1422 CG ASP A 87 10.500 2.810 -10.405 1.00 0.00 C ATOM 1423 OD1 ASP A 87 10.949 2.006 -9.553 1.00 0.00 O ATOM 1424 OD2 ASP A 87 10.468 2.559 -11.630 1.00 0.00 O ATOM 0 H ASP A 87 7.467 4.220 -10.147 1.00 0.00 H new ATOM 0 HA ASP A 87 9.269 3.259 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.469 4.631 -10.832 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.848 4.818 -9.766 1.00 0.00 H new ATOM 1429 N LYS A 88 8.735 6.557 -8.273 1.00 0.00 N ATOM 1430 CA LYS A 88 8.822 7.752 -7.439 1.00 0.00 C ATOM 1431 C LYS A 88 8.292 7.462 -6.041 1.00 0.00 C ATOM 1432 O LYS A 88 8.866 7.895 -5.046 1.00 0.00 O ATOM 1433 CB LYS A 88 8.040 8.879 -8.115 1.00 0.00 C ATOM 1434 CG LYS A 88 8.174 10.225 -7.401 1.00 0.00 C ATOM 1435 CD LYS A 88 6.996 10.473 -6.456 1.00 0.00 C ATOM 1436 CE LYS A 88 7.027 11.922 -5.965 1.00 0.00 C ATOM 1437 NZ LYS A 88 6.629 12.909 -6.989 1.00 0.00 N ATOM 0 H LYS A 88 8.200 6.684 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 88 9.862 8.060 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.386 8.985 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.986 8.604 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.107 10.249 -6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.227 11.026 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.056 10.273 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.047 9.790 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.365 12.018 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.034 12.157 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.173 13.786 -6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.820 12.523 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.614 13.114 -6.897 1.00 0.00 H new ATOM 1451 N ASN A 89 7.154 6.779 -5.959 1.00 0.00 N ATOM 1452 CA ASN A 89 6.482 6.577 -4.692 1.00 0.00 C ATOM 1453 C ASN A 89 7.270 5.618 -3.805 1.00 0.00 C ATOM 1454 O ASN A 89 7.402 5.862 -2.609 1.00 0.00 O ATOM 1455 CB ASN A 89 5.069 6.006 -4.922 1.00 0.00 C ATOM 1456 CG ASN A 89 4.014 7.072 -5.145 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.184 7.307 -4.270 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.053 7.792 -6.254 1.00 0.00 N ATOM 0 H ASN A 89 6.682 6.358 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 89 6.410 7.544 -4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.091 5.341 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.786 5.401 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.389 8.554 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.748 7.586 -6.972 1.00 0.00 H new ATOM 1465 N ILE A 90 7.755 4.506 -4.359 1.00 0.00 N ATOM 1466 CA ILE A 90 8.425 3.462 -3.592 1.00 0.00 C ATOM 1467 C ILE A 90 9.699 4.058 -3.001 1.00 0.00 C ATOM 1468 O ILE A 90 9.991 3.795 -1.833 1.00 0.00 O ATOM 1469 CB ILE A 90 8.702 2.202 -4.457 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.373 1.504 -4.842 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.612 1.201 -3.709 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.547 0.284 -5.755 1.00 0.00 C ATOM 0 H ILE A 90 7.692 4.306 -5.357 1.00 0.00 H new ATOM 0 HA ILE A 90 7.780 3.118 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 90 9.213 2.530 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.862 1.193 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.726 2.227 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.789 0.329 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.564 1.679 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.126 0.888 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.571 -0.146 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.028 0.590 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.166 -0.460 -5.254 1.00 0.00 H new ATOM 1484 N SER A 91 10.435 4.865 -3.770 1.00 0.00 N ATOM 1485 CA SER A 91 11.711 5.357 -3.298 1.00 0.00 C ATOM 1486 C SER A 91 11.514 6.338 -2.140 1.00 0.00 C ATOM 1487 O SER A 91 12.320 6.334 -1.203 1.00 0.00 O ATOM 1488 CB SER A 91 12.494 5.944 -4.469 1.00 0.00 C ATOM 1489 OG SER A 91 11.830 7.073 -5.008 1.00 0.00 O ATOM 0 H SER A 91 10.168 5.181 -4.702 1.00 0.00 H new ATOM 0 HA SER A 91 12.306 4.537 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.492 6.229 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.619 5.187 -5.243 1.00 0.00 H new ATOM 0 HG SER A 91 11.173 6.779 -5.674 1.00 0.00 H new ATOM 1495 N LEU A 92 10.428 7.128 -2.166 1.00 0.00 N ATOM 1496 CA LEU A 92 10.131 8.061 -1.083 1.00 0.00 C ATOM 1497 C LEU A 92 9.775 7.302 0.189 1.00 0.00 C ATOM 1498 O LEU A 92 10.180 7.682 1.289 1.00 0.00 O ATOM 1499 CB LEU A 92 8.954 8.951 -1.499 1.00 0.00 C ATOM 1500 CG LEU A 92 9.334 10.053 -2.495 1.00 0.00 C ATOM 1501 CD1 LEU A 92 8.052 10.645 -3.075 1.00 0.00 C ATOM 1502 CD2 LEU A 92 10.119 11.194 -1.851 1.00 0.00 C ATOM 0 H LEU A 92 9.747 7.134 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 92 11.010 8.675 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.177 8.327 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.526 9.411 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 92 9.966 9.595 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.304 11.432 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.488 9.863 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.448 11.064 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.359 11.942 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.518 11.651 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.042 10.804 -1.421 1.00 0.00 H new ATOM 1514 N PHE A 93 8.993 6.233 0.040 1.00 0.00 N ATOM 1515 CA PHE A 93 8.467 5.463 1.150 1.00 0.00 C ATOM 1516 C PHE A 93 9.588 4.830 1.998 1.00 0.00 C ATOM 1517 O PHE A 93 9.474 4.786 3.223 1.00 0.00 O ATOM 1518 CB PHE A 93 7.529 4.398 0.582 1.00 0.00 C ATOM 1519 CG PHE A 93 7.143 3.355 1.596 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.223 3.665 2.615 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.762 2.094 1.555 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.900 2.700 3.581 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.447 1.139 2.528 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.495 1.431 3.522 1.00 0.00 C ATOM 0 H PHE A 93 8.707 5.878 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 93 7.921 6.124 1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.628 4.880 0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.011 3.912 -0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.767 4.643 2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.476 1.864 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.196 2.933 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.936 0.176 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.221 0.675 4.243 1.00 0.00 H new ATOM 1534 N ILE A 94 10.653 4.313 1.370 1.00 0.00 N ATOM 1535 CA ILE A 94 11.853 3.796 2.032 1.00 0.00 C ATOM 1536 C ILE A 94 12.374 4.846 3.022 1.00 0.00 C ATOM 1537 O ILE A 94 12.586 4.497 4.184 1.00 0.00 O ATOM 1538 CB ILE A 94 12.939 3.352 1.008 1.00 0.00 C ATOM 1539 CG1 ILE A 94 12.431 2.309 -0.014 1.00 0.00 C ATOM 1540 CG2 ILE A 94 14.170 2.747 1.721 1.00 0.00 C ATOM 1541 CD1 ILE A 94 13.281 2.279 -1.293 1.00 0.00 C ATOM 0 H ILE A 94 10.702 4.242 0.354 1.00 0.00 H new ATOM 0 HA ILE A 94 11.592 2.895 2.588 1.00 0.00 H new ATOM 0 HB ILE A 94 13.207 4.263 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.437 1.321 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.396 2.533 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.910 2.447 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.606 3.491 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.863 1.876 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.882 1.530 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 94 13.254 3.258 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.311 2.027 -1.040 1.00 0.00 H new ATOM 1553 N GLU A 95 12.588 6.094 2.592 1.00 0.00 N ATOM 1554 CA GLU A 95 13.105 7.148 3.467 1.00 0.00 C ATOM 1555 C GLU A 95 12.052 7.655 4.457 1.00 0.00 C ATOM 1556 O GLU A 95 12.404 8.202 5.507 1.00 0.00 O ATOM 1557 CB GLU A 95 13.644 8.320 2.633 1.00 0.00 C ATOM 1558 CG GLU A 95 15.022 8.021 2.015 1.00 0.00 C ATOM 1559 CD GLU A 95 16.005 9.160 2.296 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.814 10.275 1.764 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.959 8.987 3.085 1.00 0.00 O ATOM 0 H GLU A 95 12.409 6.399 1.635 1.00 0.00 H new ATOM 0 HA GLU A 95 13.916 6.708 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.936 8.552 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.717 9.206 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.413 7.089 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.920 7.881 0.939 1.00 0.00 H new ATOM 1568 N GLY A 96 10.765 7.478 4.155 1.00 0.00 N ATOM 1569 CA GLY A 96 9.668 7.847 5.037 1.00 0.00 C ATOM 1570 C GLY A 96 8.911 9.102 4.606 1.00 0.00 C ATOM 1571 O GLY A 96 7.905 9.434 5.232 1.00 0.00 O ATOM 0 H GLY A 96 10.455 7.067 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.966 7.015 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.061 8.001 6.042 1.00 0.00 H new ATOM 1575 N GLU A 97 9.357 9.772 3.538 1.00 0.00 N ATOM 1576 CA GLU A 97 8.991 11.128 3.145 1.00 0.00 C ATOM 1577 C GLU A 97 7.510 11.286 2.800 1.00 0.00 C ATOM 1578 O GLU A 97 7.009 12.404 2.733 1.00 0.00 O ATOM 1579 CB GLU A 97 9.844 11.478 1.911 1.00 0.00 C ATOM 1580 CG GLU A 97 10.384 12.911 1.892 1.00 0.00 C ATOM 1581 CD GLU A 97 9.526 13.936 1.128 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.627 14.025 -0.123 1.00 0.00 O ATOM 1583 OE2 GLU A 97 8.841 14.760 1.776 1.00 0.00 O ATOM 0 H GLU A 97 10.023 9.353 2.889 1.00 0.00 H new ATOM 0 HA GLU A 97 9.174 11.795 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.685 10.787 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.245 11.318 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.494 13.252 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.381 12.899 1.452 1.00 0.00 H new ATOM 1590 N LEU A 98 6.788 10.199 2.539 1.00 0.00 N ATOM 1591 CA LEU A 98 5.378 10.285 2.188 1.00 0.00 C ATOM 1592 C LEU A 98 4.576 10.671 3.428 1.00 0.00 C ATOM 1593 O LEU A 98 4.821 10.176 4.531 1.00 0.00 O ATOM 1594 CB LEU A 98 4.925 8.952 1.566 1.00 0.00 C ATOM 1595 CG LEU A 98 5.710 8.582 0.292 1.00 0.00 C ATOM 1596 CD1 LEU A 98 5.193 7.282 -0.330 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.631 9.698 -0.758 1.00 0.00 C ATOM 0 H LEU A 98 7.159 9.249 2.565 1.00 0.00 H new ATOM 0 HA LEU A 98 5.206 11.059 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.042 8.156 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.863 9.012 1.327 1.00 0.00 H new ATOM 0 HG LEU A 98 6.748 8.445 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.770 7.053 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.298 6.468 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.142 7.398 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.195 9.405 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.589 9.868 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.052 10.615 -0.347 1.00 0.00 H new ATOM 1609 N SER A 99 3.569 11.526 3.237 1.00 0.00 N ATOM 1610 CA SER A 99 2.580 11.807 4.260 1.00 0.00 C ATOM 1611 C SER A 99 1.933 10.497 4.649 1.00 0.00 C ATOM 1612 O SER A 99 1.486 9.754 3.774 1.00 0.00 O ATOM 1613 CB SER A 99 1.483 12.694 3.659 1.00 0.00 C ATOM 1614 OG SER A 99 1.736 14.072 3.793 1.00 0.00 O ATOM 0 H SER A 99 3.423 12.039 2.367 1.00 0.00 H new ATOM 0 HA SER A 99 3.049 12.297 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.373 12.455 2.601 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.533 12.459 4.140 1.00 0.00 H new ATOM 0 HG SER A 99 1.002 14.580 3.389 1.00 0.00 H new ATOM 1620 N LYS A 100 1.770 10.259 5.945 1.00 0.00 N ATOM 1621 CA LYS A 100 0.698 9.381 6.374 1.00 0.00 C ATOM 1622 C LYS A 100 -0.603 10.110 6.092 1.00 0.00 C ATOM 1623 O LYS A 100 -0.716 11.280 6.470 1.00 0.00 O ATOM 1624 CB LYS A 100 0.854 8.984 7.839 1.00 0.00 C ATOM 1625 CG LYS A 100 2.070 8.063 7.934 1.00 0.00 C ATOM 1626 CD LYS A 100 2.433 7.560 9.328 1.00 0.00 C ATOM 1627 CE LYS A 100 1.291 7.172 10.274 1.00 0.00 C ATOM 1628 NZ LYS A 100 0.860 8.301 11.128 1.00 0.00 N ATOM 0 H LYS A 100 2.346 10.648 6.691 1.00 0.00 H new ATOM 0 HA LYS A 100 0.716 8.438 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.991 9.867 8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.042 8.476 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.895 7.198 7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.932 8.592 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.080 6.690 9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.024 8.333 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.442 6.817 9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.611 6.343 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.087 7.990 11.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.661 8.624 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.529 9.083 10.528 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.554 9.440 5.442 1.00 0.00 N ATOM 1643 CA ILE A 101 -2.946 9.863 5.472 1.00 0.00 C ATOM 1644 C ILE A 101 -3.330 9.839 6.950 1.00 0.00 C ATOM 1645 O ILE A 101 -2.931 8.934 7.690 1.00 0.00 O ATOM 1646 CB ILE A 101 -3.836 8.941 4.596 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.458 9.133 3.109 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.337 9.212 4.801 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.348 8.414 2.086 1.00 0.00 C ATOM 0 H ILE A 101 -1.381 8.601 4.888 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.092 10.857 5.049 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.654 7.910 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.473 10.200 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.432 8.793 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.918 8.542 4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.598 9.040 5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.560 10.246 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.986 8.622 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.317 7.340 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.374 8.769 2.184 1.00 0.00 H new