USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 688 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 32 LYS NZ :NH3+ 166:sc= 1.71 (180deg=0.401) USER MOD Set 1.2: A 62 THR OG1 : rot -45:sc= 1.21 USER MOD Set 2.1: A 56 GLN : amide:sc= 1.06 K(o=2.3,f=-3.5) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -158:sc= 1.26 (180deg=0) USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 26 MET CE :methyl -161:sc= -3.46! (180deg=-3.85!) USER MOD Set 4.2: A 27 SER OG : rot 180:sc= 0.0534 USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= -0.137 USER MOD Set 5.2: A 14 THR OG1 : rot 180:sc= -0.0938 USER MOD Set 6.1: A 12 ASN : amide:sc= -1.45! C(o=-1.6!,f=-9.4!) USER MOD Set 6.2: A 88 ASN :FLIP amide:sc= -0.187 F(o=-4.8,f=-1.6) USER MOD Set 7.1: A 10 THR OG1 : rot 180:sc= -0.0225 USER MOD Set 7.2: A 49 GLN : amide:sc= 0 K(o=-0.72,f=-1.6) USER MOD Set 7.3: A 80 HIS : no HE2:sc= -0.696 K(o=-0.72,f=-1.6!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.177 (180deg=-0.692) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.126) USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.181 USER MOD Single : A 5 TYR OH : rot 30:sc= -0.0703 USER MOD Single : A 18 MET CE :methyl -155:sc= -1.88 (180deg=-3.74!) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.0381 (180deg=-0.287) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.701 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 178:sc= 0.349 USER MOD Single : A 46 MET CE :methyl -145:sc= -0.867 (180deg=-2.67!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.097) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 85 THR OG1 : rot 103:sc= 0.066 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.105 4.191 -7.911 1.00 0.00 N ATOM 2 CA MET A 1 -18.406 4.389 -6.486 1.00 0.00 C ATOM 3 C MET A 1 -18.029 3.147 -5.694 1.00 0.00 C ATOM 4 O MET A 1 -17.097 3.177 -4.880 1.00 0.00 O ATOM 5 CB MET A 1 -19.879 4.740 -6.259 1.00 0.00 C ATOM 6 CG MET A 1 -20.338 5.989 -6.981 1.00 0.00 C ATOM 7 SD MET A 1 -22.052 6.417 -6.621 1.00 0.00 S ATOM 8 CE MET A 1 -21.949 6.775 -4.865 1.00 0.00 C ATOM 0 H1 MET A 1 -18.238 5.087 -8.422 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.120 3.875 -8.017 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.744 3.471 -8.304 1.00 0.00 H new ATOM 0 HA MET A 1 -17.811 5.232 -6.135 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.495 3.900 -6.582 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.050 4.868 -5.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.694 6.822 -6.700 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.223 5.845 -8.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.804 7.381 -4.566 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.952 5.841 -4.303 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.028 7.320 -4.658 1.00 0.00 H new ATOM 18 N THR A 2 -18.741 2.047 -5.921 1.00 0.00 N ATOM 19 CA THR A 2 -18.403 0.802 -5.297 1.00 0.00 C ATOM 20 C THR A 2 -17.186 0.227 -5.999 1.00 0.00 C ATOM 21 O THR A 2 -17.251 -0.182 -7.158 1.00 0.00 O ATOM 22 CB THR A 2 -19.598 -0.181 -5.343 1.00 0.00 C ATOM 23 OG1 THR A 2 -20.146 -0.227 -6.676 1.00 0.00 O ATOM 24 CG2 THR A 2 -20.674 0.243 -4.363 1.00 0.00 C ATOM 0 H THR A 2 -19.554 2.007 -6.536 1.00 0.00 H new ATOM 0 HA THR A 2 -18.169 0.966 -4.245 1.00 0.00 H new ATOM 0 HB THR A 2 -19.241 -1.172 -5.064 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.420 -0.164 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 2 -21.506 -0.460 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.263 0.253 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 2 -21.028 1.241 -4.620 1.00 0.00 H new ATOM 32 N GLU A 3 -16.088 0.193 -5.306 1.00 0.00 N ATOM 33 CA GLU A 3 -14.839 -0.163 -5.906 1.00 0.00 C ATOM 34 C GLU A 3 -13.920 -0.639 -4.806 1.00 0.00 C ATOM 35 O GLU A 3 -13.661 0.089 -3.848 1.00 0.00 O ATOM 36 CB GLU A 3 -14.310 1.097 -6.609 1.00 0.00 C ATOM 37 CG GLU A 3 -13.068 0.950 -7.454 1.00 0.00 C ATOM 38 CD GLU A 3 -12.744 2.255 -8.150 1.00 0.00 C ATOM 39 OE1 GLU A 3 -12.175 3.156 -7.512 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.111 2.413 -9.338 1.00 0.00 O ATOM 0 H GLU A 3 -16.033 0.411 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.924 -0.964 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.105 1.488 -7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.112 1.850 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.229 0.646 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.215 0.163 -8.194 1.00 0.00 H new ATOM 47 N VAL A 4 -13.462 -1.859 -4.926 1.00 0.00 N ATOM 48 CA VAL A 4 -12.665 -2.523 -3.906 1.00 0.00 C ATOM 49 C VAL A 4 -11.545 -3.302 -4.553 1.00 0.00 C ATOM 50 O VAL A 4 -11.685 -3.783 -5.676 1.00 0.00 O ATOM 51 CB VAL A 4 -13.530 -3.507 -3.043 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.563 -2.766 -2.206 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.224 -4.539 -3.930 1.00 0.00 C ATOM 0 H VAL A 4 -13.632 -2.437 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.262 -1.749 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.849 -4.020 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.141 -3.483 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.057 -2.075 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.232 -2.209 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.818 -5.211 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.875 -4.029 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.475 -5.114 -4.473 1.00 0.00 H new ATOM 63 N TYR A 5 -10.446 -3.397 -3.871 1.00 0.00 N ATOM 64 CA TYR A 5 -9.314 -4.146 -4.357 1.00 0.00 C ATOM 65 C TYR A 5 -8.880 -5.186 -3.360 1.00 0.00 C ATOM 66 O TYR A 5 -8.724 -4.890 -2.161 1.00 0.00 O ATOM 67 CB TYR A 5 -8.132 -3.229 -4.714 1.00 0.00 C ATOM 68 CG TYR A 5 -8.404 -2.251 -5.848 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.914 -2.691 -7.064 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.145 -0.901 -5.707 1.00 0.00 C ATOM 71 CE1 TYR A 5 -9.158 -1.817 -8.098 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.387 -0.018 -6.745 1.00 0.00 C ATOM 73 CZ TYR A 5 -8.892 -0.483 -7.935 1.00 0.00 C ATOM 74 OH TYR A 5 -9.132 0.394 -8.970 1.00 0.00 O ATOM 0 H TYR A 5 -10.302 -2.960 -2.961 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.637 -4.650 -5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.847 -2.664 -3.826 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.278 -3.849 -4.985 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.123 -3.742 -7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.748 -0.530 -4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.557 -2.181 -9.033 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.179 1.034 -6.620 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.877 0.062 -9.514 1.00 0.00 H new ATOM 84 N ASP A 6 -8.740 -6.407 -3.832 1.00 0.00 N ATOM 85 CA ASP A 6 -8.166 -7.473 -3.029 1.00 0.00 C ATOM 86 C ASP A 6 -6.684 -7.369 -3.170 1.00 0.00 C ATOM 87 O ASP A 6 -6.149 -7.507 -4.255 1.00 0.00 O ATOM 88 CB ASP A 6 -8.582 -8.867 -3.501 1.00 0.00 C ATOM 89 CG ASP A 6 -10.061 -9.164 -3.411 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.794 -8.908 -4.392 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.511 -9.702 -2.375 1.00 0.00 O ATOM 0 H ASP A 6 -9.017 -6.690 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.516 -7.357 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.265 -8.992 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.043 -9.608 -2.911 1.00 0.00 H new ATOM 96 N LEU A 7 -6.040 -7.116 -2.122 1.00 0.00 N ATOM 97 CA LEU A 7 -4.636 -6.935 -2.113 1.00 0.00 C ATOM 98 C LEU A 7 -3.954 -7.910 -1.187 1.00 0.00 C ATOM 99 O LEU A 7 -4.563 -8.413 -0.252 1.00 0.00 O ATOM 100 CB LEU A 7 -4.263 -5.466 -1.871 1.00 0.00 C ATOM 101 CG LEU A 7 -5.056 -4.698 -0.803 1.00 0.00 C ATOM 102 CD1 LEU A 7 -4.836 -5.251 0.597 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.750 -3.213 -0.852 1.00 0.00 C ATOM 0 H LEU A 7 -6.475 -7.022 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.252 -7.172 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.208 -5.428 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.368 -4.933 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.111 -4.839 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.419 -4.672 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.152 -6.294 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.778 -5.184 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.327 -2.697 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.686 -3.055 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.017 -2.819 -1.832 1.00 0.00 H new ATOM 115 N GLU A 8 -2.716 -8.160 -1.436 1.00 0.00 N ATOM 116 CA GLU A 8 -1.990 -9.164 -0.726 1.00 0.00 C ATOM 117 C GLU A 8 -1.004 -8.497 0.193 1.00 0.00 C ATOM 118 O GLU A 8 -0.141 -7.747 -0.240 1.00 0.00 O ATOM 119 CB GLU A 8 -1.287 -10.043 -1.745 1.00 0.00 C ATOM 120 CG GLU A 8 -0.553 -11.243 -1.196 1.00 0.00 C ATOM 121 CD GLU A 8 0.060 -12.062 -2.310 1.00 0.00 C ATOM 122 OE1 GLU A 8 -0.695 -12.676 -3.080 1.00 0.00 O ATOM 123 OE2 GLU A 8 1.302 -12.109 -2.430 1.00 0.00 O ATOM 0 H GLU A 8 -2.170 -7.670 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.653 -9.781 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.027 -10.394 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.575 -9.428 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.228 -10.913 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.241 -11.863 -0.621 1.00 0.00 H new ATOM 130 N ILE A 9 -1.160 -8.753 1.454 1.00 0.00 N ATOM 131 CA ILE A 9 -0.353 -8.119 2.465 1.00 0.00 C ATOM 132 C ILE A 9 0.823 -8.987 2.857 1.00 0.00 C ATOM 133 O ILE A 9 0.681 -10.201 3.116 1.00 0.00 O ATOM 134 CB ILE A 9 -1.177 -7.799 3.749 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.374 -6.883 3.442 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.293 -7.188 4.847 1.00 0.00 C ATOM 137 CD1 ILE A 9 -1.992 -5.526 2.886 1.00 0.00 C ATOM 0 H ILE A 9 -1.851 -9.409 1.819 1.00 0.00 H new ATOM 0 HA ILE A 9 0.006 -7.188 2.026 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.569 -8.746 4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.027 -7.385 2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.951 -6.739 4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.900 -6.977 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.497 -7.891 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.152 -6.262 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.894 -4.943 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.365 -5.001 3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.442 -5.656 1.954 1.00 0.00 H new ATOM 149 N THR A 10 1.951 -8.370 2.889 1.00 0.00 N ATOM 150 CA THR A 10 3.163 -8.949 3.367 1.00 0.00 C ATOM 151 C THR A 10 3.746 -8.044 4.412 1.00 0.00 C ATOM 152 O THR A 10 3.410 -6.861 4.482 1.00 0.00 O ATOM 153 CB THR A 10 4.188 -9.191 2.250 1.00 0.00 C ATOM 154 OG1 THR A 10 4.297 -8.038 1.407 1.00 0.00 O ATOM 155 CG2 THR A 10 3.847 -10.415 1.446 1.00 0.00 C ATOM 0 H THR A 10 2.062 -7.408 2.570 1.00 0.00 H new ATOM 0 HA THR A 10 2.926 -9.926 3.787 1.00 0.00 H new ATOM 0 HB THR A 10 5.156 -9.367 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.956 -8.209 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.593 -10.556 0.664 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.836 -11.288 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.864 -10.289 0.991 1.00 0.00 H new ATOM 163 N THR A 11 4.578 -8.566 5.228 1.00 0.00 N ATOM 164 CA THR A 11 5.165 -7.823 6.277 1.00 0.00 C ATOM 165 C THR A 11 6.506 -8.460 6.527 1.00 0.00 C ATOM 166 O THR A 11 6.789 -9.520 6.011 1.00 0.00 O ATOM 167 CB THR A 11 4.299 -7.895 7.571 1.00 0.00 C ATOM 168 OG1 THR A 11 2.915 -7.707 7.250 1.00 0.00 O ATOM 169 CG2 THR A 11 4.677 -6.809 8.579 1.00 0.00 C ATOM 0 H THR A 11 4.877 -9.540 5.187 1.00 0.00 H new ATOM 0 HA THR A 11 5.250 -6.770 6.008 1.00 0.00 H new ATOM 0 HB THR A 11 4.479 -8.877 8.008 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.380 -7.756 8.069 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.047 -6.899 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.723 -6.925 8.864 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.531 -5.827 8.128 1.00 0.00 H new ATOM 177 N ASN A 12 7.304 -7.815 7.260 1.00 0.00 N ATOM 178 CA ASN A 12 8.611 -8.310 7.620 1.00 0.00 C ATOM 179 C ASN A 12 8.468 -9.459 8.604 1.00 0.00 C ATOM 180 O ASN A 12 9.303 -10.351 8.670 1.00 0.00 O ATOM 181 CB ASN A 12 9.461 -7.199 8.253 1.00 0.00 C ATOM 182 CG ASN A 12 8.852 -6.584 9.531 1.00 0.00 C ATOM 183 OD1 ASN A 12 7.640 -6.451 9.663 1.00 0.00 O ATOM 184 ND2 ASN A 12 9.687 -6.248 10.479 1.00 0.00 N ATOM 0 H ASN A 12 7.088 -6.899 7.653 1.00 0.00 H new ATOM 0 HA ASN A 12 9.109 -8.657 6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.445 -7.602 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.609 -6.408 7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.335 -5.864 11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.690 -6.370 10.342 1.00 0.00 H new ATOM 191 N ALA A 13 7.387 -9.430 9.342 1.00 0.00 N ATOM 192 CA ALA A 13 7.121 -10.420 10.337 1.00 0.00 C ATOM 193 C ALA A 13 6.386 -11.627 9.756 1.00 0.00 C ATOM 194 O ALA A 13 6.319 -12.684 10.382 1.00 0.00 O ATOM 195 CB ALA A 13 6.345 -9.803 11.482 1.00 0.00 C ATOM 0 H ALA A 13 6.667 -8.712 9.264 1.00 0.00 H new ATOM 0 HA ALA A 13 8.075 -10.787 10.716 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.145 -10.563 12.237 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.929 -8.996 11.925 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.401 -9.405 11.109 1.00 0.00 H new ATOM 201 N THR A 14 5.826 -11.471 8.577 1.00 0.00 N ATOM 202 CA THR A 14 5.111 -12.547 7.945 1.00 0.00 C ATOM 203 C THR A 14 5.772 -12.954 6.635 1.00 0.00 C ATOM 204 O THR A 14 6.063 -12.120 5.787 1.00 0.00 O ATOM 205 CB THR A 14 3.630 -12.172 7.693 1.00 0.00 C ATOM 206 OG1 THR A 14 3.553 -10.924 6.985 1.00 0.00 O ATOM 207 CG2 THR A 14 2.855 -12.065 8.996 1.00 0.00 C ATOM 0 H THR A 14 5.855 -10.605 8.039 1.00 0.00 H new ATOM 0 HA THR A 14 5.141 -13.395 8.629 1.00 0.00 H new ATOM 0 HB THR A 14 3.183 -12.965 7.093 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.613 -10.694 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.819 -11.800 8.783 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.885 -13.022 9.517 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.304 -11.296 9.624 1.00 0.00 H new ATOM 215 N ASP A 15 6.029 -14.215 6.480 1.00 0.00 N ATOM 216 CA ASP A 15 6.583 -14.719 5.238 1.00 0.00 C ATOM 217 C ASP A 15 5.441 -15.234 4.374 1.00 0.00 C ATOM 218 O ASP A 15 5.554 -15.373 3.148 1.00 0.00 O ATOM 219 CB ASP A 15 7.623 -15.817 5.510 1.00 0.00 C ATOM 220 CG ASP A 15 8.288 -16.332 4.250 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.160 -15.625 3.690 1.00 0.00 O ATOM 222 OD2 ASP A 15 7.947 -17.446 3.793 1.00 0.00 O ATOM 0 H ASP A 15 5.867 -14.926 7.194 1.00 0.00 H new ATOM 0 HA ASP A 15 7.100 -13.918 4.709 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.387 -15.427 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.139 -16.648 6.024 1.00 0.00 H new ATOM 227 N PHE A 16 4.324 -15.479 5.031 1.00 0.00 N ATOM 228 CA PHE A 16 3.119 -15.928 4.386 1.00 0.00 C ATOM 229 C PHE A 16 2.261 -14.713 4.001 1.00 0.00 C ATOM 230 O PHE A 16 1.978 -13.840 4.838 1.00 0.00 O ATOM 231 CB PHE A 16 2.340 -16.863 5.332 1.00 0.00 C ATOM 232 CG PHE A 16 1.057 -17.415 4.761 1.00 0.00 C ATOM 233 CD1 PHE A 16 1.078 -18.488 3.886 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.169 -16.868 5.114 1.00 0.00 C ATOM 235 CE1 PHE A 16 -0.094 -19.002 3.368 1.00 0.00 C ATOM 236 CE2 PHE A 16 -1.345 -17.376 4.597 1.00 0.00 C ATOM 237 CZ PHE A 16 -1.306 -18.446 3.723 1.00 0.00 C ATOM 0 H PHE A 16 4.233 -15.368 6.041 1.00 0.00 H new ATOM 0 HA PHE A 16 3.371 -16.481 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.986 -17.696 5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.109 -16.320 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.023 -18.928 3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.204 -16.035 5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.062 -19.838 2.686 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.292 -16.938 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.224 -18.847 3.318 1.00 0.00 H new ATOM 247 N PRO A 17 1.864 -14.623 2.734 1.00 0.00 N ATOM 248 CA PRO A 17 1.034 -13.541 2.257 1.00 0.00 C ATOM 249 C PRO A 17 -0.438 -13.781 2.556 1.00 0.00 C ATOM 250 O PRO A 17 -0.934 -14.910 2.470 1.00 0.00 O ATOM 251 CB PRO A 17 1.275 -13.537 0.762 1.00 0.00 C ATOM 252 CG PRO A 17 1.649 -14.942 0.413 1.00 0.00 C ATOM 253 CD PRO A 17 2.209 -15.576 1.659 1.00 0.00 C ATOM 0 HA PRO A 17 1.279 -12.595 2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.382 -13.223 0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.070 -12.841 0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.779 -15.495 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.386 -14.956 -0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.769 -16.557 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.287 -15.719 1.584 1.00 0.00 H new ATOM 261 N MET A 18 -1.126 -12.734 2.894 1.00 0.00 N ATOM 262 CA MET A 18 -2.533 -12.823 3.223 1.00 0.00 C ATOM 263 C MET A 18 -3.282 -11.750 2.463 1.00 0.00 C ATOM 264 O MET A 18 -2.954 -10.569 2.577 1.00 0.00 O ATOM 265 CB MET A 18 -2.734 -12.631 4.738 1.00 0.00 C ATOM 266 CG MET A 18 -4.182 -12.740 5.267 1.00 0.00 C ATOM 267 SD MET A 18 -4.855 -14.440 5.446 1.00 0.00 S ATOM 268 CE MET A 18 -4.840 -15.094 3.781 1.00 0.00 C ATOM 0 H MET A 18 -0.738 -11.792 2.952 1.00 0.00 H new ATOM 0 HA MET A 18 -2.913 -13.806 2.944 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.125 -13.371 5.258 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.345 -11.650 5.011 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.229 -12.249 6.239 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.835 -12.182 4.596 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.592 -15.877 3.691 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.062 -14.295 3.074 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.856 -15.509 3.562 1.00 0.00 H new ATOM 278 N GLU A 19 -4.260 -12.143 1.676 1.00 0.00 N ATOM 279 CA GLU A 19 -5.026 -11.179 0.922 1.00 0.00 C ATOM 280 C GLU A 19 -6.146 -10.582 1.760 1.00 0.00 C ATOM 281 O GLU A 19 -6.762 -11.271 2.586 1.00 0.00 O ATOM 282 CB GLU A 19 -5.572 -11.761 -0.386 1.00 0.00 C ATOM 283 CG GLU A 19 -6.480 -12.959 -0.214 1.00 0.00 C ATOM 284 CD GLU A 19 -7.092 -13.391 -1.517 1.00 0.00 C ATOM 285 OE1 GLU A 19 -6.482 -14.200 -2.229 1.00 0.00 O ATOM 286 OE2 GLU A 19 -8.210 -12.918 -1.849 1.00 0.00 O ATOM 0 H GLU A 19 -4.541 -13.115 1.543 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.338 -10.377 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.119 -10.980 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.732 -12.047 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.912 -13.786 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.271 -12.716 0.496 1.00 0.00 H new ATOM 293 N LYS A 20 -6.362 -9.310 1.575 1.00 0.00 N ATOM 294 CA LYS A 20 -7.368 -8.560 2.231 1.00 0.00 C ATOM 295 C LYS A 20 -8.048 -7.687 1.199 1.00 0.00 C ATOM 296 O LYS A 20 -7.424 -7.302 0.219 1.00 0.00 O ATOM 297 CB LYS A 20 -6.726 -7.661 3.273 1.00 0.00 C ATOM 298 CG LYS A 20 -6.036 -8.363 4.435 1.00 0.00 C ATOM 299 CD LYS A 20 -7.015 -9.218 5.211 1.00 0.00 C ATOM 300 CE LYS A 20 -6.374 -9.845 6.430 1.00 0.00 C ATOM 301 NZ LYS A 20 -5.890 -8.833 7.392 1.00 0.00 N ATOM 0 H LYS A 20 -5.807 -8.750 0.928 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.083 -9.228 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.994 -7.026 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.495 -7.003 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.224 -8.985 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.589 -7.622 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.864 -8.608 5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.406 -10.002 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.096 -10.496 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.540 -10.473 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.695 -9.288 8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.018 -8.398 7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.616 -8.099 7.519 1.00 0.00 H new ATOM 315 N LYS A 21 -9.295 -7.376 1.399 1.00 0.00 N ATOM 316 CA LYS A 21 -9.995 -6.541 0.454 1.00 0.00 C ATOM 317 C LYS A 21 -10.390 -5.230 1.101 1.00 0.00 C ATOM 318 O LYS A 21 -10.964 -5.219 2.192 1.00 0.00 O ATOM 319 CB LYS A 21 -11.221 -7.259 -0.098 1.00 0.00 C ATOM 320 CG LYS A 21 -11.981 -6.472 -1.161 1.00 0.00 C ATOM 321 CD LYS A 21 -13.175 -7.249 -1.689 1.00 0.00 C ATOM 322 CE LYS A 21 -14.191 -7.530 -0.598 1.00 0.00 C ATOM 323 NZ LYS A 21 -15.333 -8.317 -1.096 1.00 0.00 N ATOM 0 H LYS A 21 -9.849 -7.682 2.199 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.325 -6.328 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.909 -8.213 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.899 -7.483 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.320 -5.525 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.310 -6.232 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.650 -6.685 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.834 -8.191 -2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.708 -8.068 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.552 -6.587 -0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.003 -8.487 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.811 -7.793 -1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.992 -9.228 -1.464 1.00 0.00 H new ATOM 337 N TYR A 22 -10.066 -4.144 0.449 1.00 0.00 N ATOM 338 CA TYR A 22 -10.389 -2.820 0.932 1.00 0.00 C ATOM 339 C TYR A 22 -10.909 -1.985 -0.210 1.00 0.00 C ATOM 340 O TYR A 22 -10.545 -2.230 -1.365 1.00 0.00 O ATOM 341 CB TYR A 22 -9.160 -2.134 1.559 1.00 0.00 C ATOM 342 CG TYR A 22 -8.676 -2.759 2.842 1.00 0.00 C ATOM 343 CD1 TYR A 22 -7.784 -3.814 2.832 1.00 0.00 C ATOM 344 CD2 TYR A 22 -9.107 -2.277 4.072 1.00 0.00 C ATOM 345 CE1 TYR A 22 -7.337 -4.375 4.003 1.00 0.00 C ATOM 346 CE2 TYR A 22 -8.662 -2.836 5.250 1.00 0.00 C ATOM 347 CZ TYR A 22 -7.775 -3.885 5.207 1.00 0.00 C ATOM 348 OH TYR A 22 -7.317 -4.448 6.372 1.00 0.00 O ATOM 0 H TYR A 22 -9.566 -4.150 -0.440 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.152 -2.914 1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.345 -2.146 0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.402 -1.088 1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.433 -4.204 1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -9.802 -1.451 4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.642 -5.201 3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.007 -2.453 6.199 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.412 -4.798 6.233 1.00 0.00 H new ATOM 358 N PRO A 23 -11.793 -1.017 0.069 1.00 0.00 N ATOM 359 CA PRO A 23 -12.305 -0.113 -0.951 1.00 0.00 C ATOM 360 C PRO A 23 -11.192 0.700 -1.571 1.00 0.00 C ATOM 361 O PRO A 23 -10.253 1.105 -0.889 1.00 0.00 O ATOM 362 CB PRO A 23 -13.258 0.813 -0.190 1.00 0.00 C ATOM 363 CG PRO A 23 -13.578 0.087 1.063 1.00 0.00 C ATOM 364 CD PRO A 23 -12.376 -0.738 1.391 1.00 0.00 C ATOM 0 HA PRO A 23 -12.787 -0.653 -1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.790 1.775 0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.158 1.016 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.802 0.785 1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.458 -0.543 0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.680 -0.199 2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.647 -1.655 1.914 1.00 0.00 H new ATOM 372 N ALA A 24 -11.303 0.950 -2.850 1.00 0.00 N ATOM 373 CA ALA A 24 -10.309 1.720 -3.571 1.00 0.00 C ATOM 374 C ALA A 24 -10.253 3.150 -3.068 1.00 0.00 C ATOM 375 O ALA A 24 -9.212 3.815 -3.104 1.00 0.00 O ATOM 376 CB ALA A 24 -10.616 1.683 -5.035 1.00 0.00 C ATOM 0 H ALA A 24 -12.082 0.628 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.328 1.276 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.869 2.262 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.599 0.651 -5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.604 2.110 -5.211 1.00 0.00 H new ATOM 382 N GLY A 25 -11.366 3.590 -2.568 1.00 0.00 N ATOM 383 CA GLY A 25 -11.492 4.923 -2.049 1.00 0.00 C ATOM 384 C GLY A 25 -11.139 5.009 -0.583 1.00 0.00 C ATOM 385 O GLY A 25 -11.339 6.048 0.052 1.00 0.00 O ATOM 0 H GLY A 25 -12.219 3.034 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.844 5.592 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.515 5.271 -2.194 1.00 0.00 H new ATOM 389 N MET A 26 -10.633 3.926 -0.035 1.00 0.00 N ATOM 390 CA MET A 26 -10.203 3.906 1.341 1.00 0.00 C ATOM 391 C MET A 26 -8.756 4.378 1.393 1.00 0.00 C ATOM 392 O MET A 26 -8.015 4.240 0.415 1.00 0.00 O ATOM 393 CB MET A 26 -10.323 2.488 1.913 1.00 0.00 C ATOM 394 CG MET A 26 -9.977 2.285 3.404 1.00 0.00 C ATOM 395 SD MET A 26 -11.238 2.870 4.604 1.00 0.00 S ATOM 396 CE MET A 26 -11.186 4.664 4.494 1.00 0.00 C ATOM 0 H MET A 26 -10.510 3.042 -0.528 1.00 0.00 H new ATOM 0 HA MET A 26 -10.832 4.564 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.347 2.149 1.757 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.678 1.834 1.327 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.804 1.223 3.576 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.038 2.798 3.613 1.00 0.00 H new ATOM 0 HE1 MET A 26 -11.641 5.097 5.385 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.150 4.994 4.419 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.736 4.990 3.611 1.00 0.00 H new ATOM 406 N SER A 27 -8.378 4.914 2.503 1.00 0.00 N ATOM 407 CA SER A 27 -7.067 5.419 2.722 1.00 0.00 C ATOM 408 C SER A 27 -6.144 4.304 3.114 1.00 0.00 C ATOM 409 O SER A 27 -6.552 3.332 3.776 1.00 0.00 O ATOM 410 CB SER A 27 -7.159 6.449 3.831 1.00 0.00 C ATOM 411 OG SER A 27 -7.823 5.904 4.959 1.00 0.00 O ATOM 0 H SER A 27 -8.994 5.016 3.309 1.00 0.00 H new ATOM 0 HA SER A 27 -6.670 5.873 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.159 6.778 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.696 7.329 3.475 1.00 0.00 H new ATOM 0 HG SER A 27 -7.873 6.580 5.667 1.00 0.00 H new ATOM 417 N LEU A 28 -4.900 4.417 2.698 1.00 0.00 N ATOM 418 CA LEU A 28 -3.895 3.436 3.059 1.00 0.00 C ATOM 419 C LEU A 28 -3.638 3.602 4.567 1.00 0.00 C ATOM 420 O LEU A 28 -3.206 2.702 5.250 1.00 0.00 O ATOM 421 CB LEU A 28 -2.623 3.689 2.231 1.00 0.00 C ATOM 422 CG LEU A 28 -1.657 2.491 1.992 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.533 2.898 1.072 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.078 1.955 3.271 1.00 0.00 C ATOM 0 H LEU A 28 -4.559 5.178 2.110 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.218 2.416 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.929 4.071 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.057 4.482 2.721 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.249 1.699 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.134 2.050 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.944 3.219 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.025 3.720 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.412 1.122 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.517 2.742 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.884 1.612 3.920 1.00 0.00 H new ATOM 436 N ASN A 29 -3.967 4.780 5.049 1.00 0.00 N ATOM 437 CA ASN A 29 -3.856 5.164 6.464 1.00 0.00 C ATOM 438 C ASN A 29 -4.648 4.168 7.322 1.00 0.00 C ATOM 439 O ASN A 29 -4.165 3.678 8.348 1.00 0.00 O ATOM 440 CB ASN A 29 -4.473 6.556 6.636 1.00 0.00 C ATOM 441 CG ASN A 29 -3.761 7.408 7.650 1.00 0.00 C ATOM 442 OD1 ASN A 29 -3.195 6.912 8.619 1.00 0.00 O ATOM 443 ND2 ASN A 29 -3.767 8.704 7.417 1.00 0.00 N ATOM 0 H ASN A 29 -4.332 5.529 4.460 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.810 5.166 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.467 7.069 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.516 6.448 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.288 9.339 8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.251 9.073 6.598 1.00 0.00 H new ATOM 450 N ASP A 30 -5.855 3.850 6.855 1.00 0.00 N ATOM 451 CA ASP A 30 -6.761 2.909 7.532 1.00 0.00 C ATOM 452 C ASP A 30 -6.213 1.495 7.416 1.00 0.00 C ATOM 453 O ASP A 30 -6.293 0.690 8.354 1.00 0.00 O ATOM 454 CB ASP A 30 -8.127 2.967 6.866 1.00 0.00 C ATOM 455 CG ASP A 30 -9.173 2.130 7.565 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.296 0.931 7.271 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.903 2.672 8.424 1.00 0.00 O ATOM 0 H ASP A 30 -6.238 4.237 5.993 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.845 3.181 8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.464 4.003 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.034 2.630 5.833 1.00 0.00 H new ATOM 462 N LEU A 31 -5.625 1.229 6.264 1.00 0.00 N ATOM 463 CA LEU A 31 -5.018 -0.056 5.934 1.00 0.00 C ATOM 464 C LEU A 31 -3.898 -0.322 6.923 1.00 0.00 C ATOM 465 O LEU A 31 -3.807 -1.403 7.514 1.00 0.00 O ATOM 466 CB LEU A 31 -4.501 0.026 4.459 1.00 0.00 C ATOM 467 CG LEU A 31 -3.805 -1.196 3.786 1.00 0.00 C ATOM 468 CD1 LEU A 31 -2.416 -1.452 4.328 1.00 0.00 C ATOM 469 CD2 LEU A 31 -4.644 -2.435 3.915 1.00 0.00 C ATOM 0 H LEU A 31 -5.552 1.914 5.511 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.728 -0.880 6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.355 0.291 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.800 0.859 4.412 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.700 -0.943 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.981 -2.314 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.791 -0.576 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.474 -1.650 5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.134 -3.271 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.800 -2.661 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.608 -2.274 3.432 1.00 0.00 H new ATOM 481 N LYS A 32 -3.066 0.678 7.103 1.00 0.00 N ATOM 482 CA LYS A 32 -1.964 0.603 8.046 1.00 0.00 C ATOM 483 C LYS A 32 -2.480 0.450 9.437 1.00 0.00 C ATOM 484 O LYS A 32 -1.978 -0.319 10.160 1.00 0.00 O ATOM 485 CB LYS A 32 -1.086 1.845 8.004 1.00 0.00 C ATOM 486 CG LYS A 32 -0.508 2.156 6.658 1.00 0.00 C ATOM 487 CD LYS A 32 0.500 3.301 6.723 1.00 0.00 C ATOM 488 CE LYS A 32 1.686 2.956 7.623 1.00 0.00 C ATOM 489 NZ LYS A 32 2.687 4.028 7.641 1.00 0.00 N ATOM 0 H LYS A 32 -3.130 1.565 6.604 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.367 -0.262 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.673 2.700 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.270 1.721 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.022 1.267 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.311 2.418 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.858 3.528 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.008 4.199 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.331 2.773 8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.149 2.032 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.348 3.872 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.212 4.028 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.212 4.945 7.765 1.00 0.00 H new ATOM 503 N LYS A 33 -3.511 1.187 9.779 1.00 0.00 N ATOM 504 CA LYS A 33 -4.080 1.183 11.109 1.00 0.00 C ATOM 505 C LYS A 33 -4.523 -0.247 11.503 1.00 0.00 C ATOM 506 O LYS A 33 -4.392 -0.645 12.671 1.00 0.00 O ATOM 507 CB LYS A 33 -5.277 2.135 11.088 1.00 0.00 C ATOM 508 CG LYS A 33 -5.866 2.476 12.424 1.00 0.00 C ATOM 509 CD LYS A 33 -4.868 3.219 13.283 1.00 0.00 C ATOM 510 CE LYS A 33 -4.397 4.528 12.648 1.00 0.00 C ATOM 511 NZ LYS A 33 -3.493 5.278 13.551 1.00 0.00 N ATOM 0 H LYS A 33 -3.986 1.816 9.132 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.346 1.508 11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.972 3.061 10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.058 1.692 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.758 3.087 12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.179 1.563 12.931 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.318 3.432 14.253 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.005 2.578 13.466 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.881 4.314 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.261 5.145 12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.193 6.160 13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.993 5.503 14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.657 4.698 13.765 1.00 0.00 H new ATOM 525 N LYS A 34 -5.023 -1.006 10.525 1.00 0.00 N ATOM 526 CA LYS A 34 -5.402 -2.394 10.735 1.00 0.00 C ATOM 527 C LYS A 34 -4.144 -3.218 10.998 1.00 0.00 C ATOM 528 O LYS A 34 -4.093 -4.037 11.914 1.00 0.00 O ATOM 529 CB LYS A 34 -6.065 -2.931 9.462 1.00 0.00 C ATOM 530 CG LYS A 34 -6.621 -4.349 9.595 1.00 0.00 C ATOM 531 CD LYS A 34 -7.765 -4.411 10.594 1.00 0.00 C ATOM 532 CE LYS A 34 -8.962 -3.615 10.101 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.094 -3.651 11.046 1.00 0.00 N ATOM 0 H LYS A 34 -5.174 -0.673 9.573 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.088 -2.462 11.579 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.876 -2.260 9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.337 -2.913 8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.968 -4.697 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.825 -5.024 9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.056 -5.449 10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.434 -4.019 11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.663 -2.580 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.285 -4.010 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.884 -3.093 10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.400 -4.635 11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.797 -3.250 11.958 1.00 0.00 H new ATOM 547 N LEU A 35 -3.135 -2.959 10.197 1.00 0.00 N ATOM 548 CA LEU A 35 -1.858 -3.619 10.289 1.00 0.00 C ATOM 549 C LEU A 35 -1.190 -3.298 11.613 1.00 0.00 C ATOM 550 O LEU A 35 -0.718 -4.185 12.311 1.00 0.00 O ATOM 551 CB LEU A 35 -0.983 -3.175 9.122 1.00 0.00 C ATOM 552 CG LEU A 35 -1.455 -3.570 7.725 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.454 -3.114 6.688 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.681 -5.073 7.627 1.00 0.00 C ATOM 0 H LEU A 35 -3.183 -2.268 9.448 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.001 -4.698 10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.894 -2.089 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.017 -3.582 9.272 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.408 -3.076 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.802 -3.401 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.349 -2.030 6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.511 -3.581 6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.017 -5.326 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.749 -5.596 7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.440 -5.375 8.349 1.00 0.00 H new ATOM 566 N GLU A 36 -1.201 -2.037 11.952 1.00 0.00 N ATOM 567 CA GLU A 36 -0.663 -1.515 13.169 1.00 0.00 C ATOM 568 C GLU A 36 -1.324 -2.124 14.371 1.00 0.00 C ATOM 569 O GLU A 36 -0.701 -2.301 15.404 1.00 0.00 O ATOM 570 CB GLU A 36 -0.814 0.001 13.173 1.00 0.00 C ATOM 571 CG GLU A 36 0.023 0.705 12.129 1.00 0.00 C ATOM 572 CD GLU A 36 1.465 0.292 12.134 1.00 0.00 C ATOM 573 OE1 GLU A 36 1.779 -0.820 11.664 1.00 0.00 O ATOM 574 OE2 GLU A 36 2.277 1.074 12.560 1.00 0.00 O ATOM 0 H GLU A 36 -1.606 -1.316 11.355 1.00 0.00 H new ATOM 0 HA GLU A 36 0.394 -1.774 13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.863 0.252 13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.542 0.380 14.158 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.399 0.507 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.038 1.781 12.292 1.00 0.00 H new ATOM 581 N LEU A 37 -2.575 -2.463 14.230 1.00 0.00 N ATOM 582 CA LEU A 37 -3.313 -3.093 15.295 1.00 0.00 C ATOM 583 C LEU A 37 -2.799 -4.518 15.530 1.00 0.00 C ATOM 584 O LEU A 37 -2.791 -5.009 16.658 1.00 0.00 O ATOM 585 CB LEU A 37 -4.808 -3.111 14.970 1.00 0.00 C ATOM 586 CG LEU A 37 -5.738 -3.693 16.043 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.661 -2.887 17.334 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.165 -3.745 15.533 1.00 0.00 C ATOM 0 H LEU A 37 -3.113 -2.312 13.377 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.165 -2.516 16.208 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.124 -2.088 14.764 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.950 -3.680 14.051 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.407 -4.708 16.262 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.330 -3.323 18.076 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.639 -2.904 17.713 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.958 -1.857 17.138 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.813 -4.160 16.305 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.499 -2.738 15.282 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.211 -4.374 14.644 1.00 0.00 H new ATOM 600 N VAL A 38 -2.356 -5.157 14.475 1.00 0.00 N ATOM 601 CA VAL A 38 -1.858 -6.520 14.560 1.00 0.00 C ATOM 602 C VAL A 38 -0.353 -6.548 14.876 1.00 0.00 C ATOM 603 O VAL A 38 0.102 -7.333 15.716 1.00 0.00 O ATOM 604 CB VAL A 38 -2.128 -7.300 13.237 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.608 -8.732 13.317 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.616 -7.296 12.903 1.00 0.00 C ATOM 0 H VAL A 38 -2.328 -4.756 13.537 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.395 -7.007 15.374 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.588 -6.790 12.439 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.813 -9.246 12.378 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.533 -8.719 13.497 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.106 -9.255 14.133 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.782 -7.845 11.976 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.172 -7.771 13.711 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.959 -6.268 12.782 1.00 0.00 H new ATOM 616 N VAL A 39 0.405 -5.671 14.241 1.00 0.00 N ATOM 617 CA VAL A 39 1.851 -5.650 14.409 1.00 0.00 C ATOM 618 C VAL A 39 2.253 -4.866 15.654 1.00 0.00 C ATOM 619 O VAL A 39 3.296 -5.135 16.267 1.00 0.00 O ATOM 620 CB VAL A 39 2.585 -5.110 13.141 1.00 0.00 C ATOM 621 CG1 VAL A 39 4.093 -5.294 13.264 1.00 0.00 C ATOM 622 CG2 VAL A 39 2.077 -5.808 11.884 1.00 0.00 C ATOM 0 H VAL A 39 0.044 -4.962 13.603 1.00 0.00 H new ATOM 0 HA VAL A 39 2.168 -6.684 14.545 1.00 0.00 H new ATOM 0 HB VAL A 39 2.370 -4.044 13.062 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.581 -4.910 12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.456 -4.750 14.136 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.322 -6.354 13.376 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.602 -5.416 11.013 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.258 -6.880 11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.008 -5.628 11.775 1.00 0.00 H new ATOM 632 N GLY A 40 1.421 -3.924 16.052 1.00 0.00 N ATOM 633 CA GLY A 40 1.715 -3.145 17.229 1.00 0.00 C ATOM 634 C GLY A 40 2.670 -2.012 16.947 1.00 0.00 C ATOM 635 O GLY A 40 3.165 -1.360 17.878 1.00 0.00 O ATOM 0 H GLY A 40 0.548 -3.685 15.582 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.787 -2.742 17.635 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.142 -3.794 17.993 1.00 0.00 H new ATOM 639 N THR A 41 2.936 -1.773 15.684 1.00 0.00 N ATOM 640 CA THR A 41 3.848 -0.706 15.288 1.00 0.00 C ATOM 641 C THR A 41 3.126 0.666 15.395 1.00 0.00 C ATOM 642 O THR A 41 1.926 0.733 15.731 1.00 0.00 O ATOM 643 CB THR A 41 4.301 -0.926 13.819 1.00 0.00 C ATOM 644 OG1 THR A 41 4.609 -2.304 13.618 1.00 0.00 O ATOM 645 CG2 THR A 41 5.561 -0.121 13.495 1.00 0.00 C ATOM 0 H THR A 41 2.537 -2.299 14.907 1.00 0.00 H new ATOM 0 HA THR A 41 4.716 -0.716 15.947 1.00 0.00 H new ATOM 0 HB THR A 41 3.486 -0.601 13.172 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.866 -2.449 12.683 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.850 -0.299 12.459 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.361 0.941 13.639 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.371 -0.431 14.156 1.00 0.00 H new ATOM 653 N THR A 42 3.860 1.724 15.162 1.00 0.00 N ATOM 654 CA THR A 42 3.314 3.034 15.054 1.00 0.00 C ATOM 655 C THR A 42 3.465 3.484 13.600 1.00 0.00 C ATOM 656 O THR A 42 4.496 3.211 12.968 1.00 0.00 O ATOM 657 CB THR A 42 4.003 4.014 16.025 1.00 0.00 C ATOM 658 OG1 THR A 42 5.437 3.946 15.856 1.00 0.00 O ATOM 659 CG2 THR A 42 3.649 3.686 17.471 1.00 0.00 C ATOM 0 H THR A 42 4.872 1.688 15.041 1.00 0.00 H new ATOM 0 HA THR A 42 2.260 3.023 15.332 1.00 0.00 H new ATOM 0 HB THR A 42 3.652 5.021 15.798 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.869 4.572 16.474 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.147 4.391 18.136 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.570 3.759 17.607 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.976 2.673 17.705 1.00 0.00 H new ATOM 667 N VAL A 43 2.484 4.221 13.111 1.00 0.00 N ATOM 668 CA VAL A 43 2.332 4.515 11.685 1.00 0.00 C ATOM 669 C VAL A 43 3.561 5.207 11.065 1.00 0.00 C ATOM 670 O VAL A 43 3.925 4.906 9.927 1.00 0.00 O ATOM 671 CB VAL A 43 1.036 5.356 11.436 1.00 0.00 C ATOM 672 CG1 VAL A 43 0.845 5.684 9.962 1.00 0.00 C ATOM 673 CG2 VAL A 43 -0.183 4.616 11.967 1.00 0.00 C ATOM 0 H VAL A 43 1.759 4.640 13.694 1.00 0.00 H new ATOM 0 HA VAL A 43 2.242 3.553 11.180 1.00 0.00 H new ATOM 0 HB VAL A 43 1.151 6.298 11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.066 6.268 9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.699 6.260 9.604 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.766 4.759 9.391 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.078 5.212 11.787 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.277 3.657 11.457 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.068 4.447 13.038 1.00 0.00 H new ATOM 683 N ASP A 44 4.212 6.082 11.805 1.00 0.00 N ATOM 684 CA ASP A 44 5.417 6.759 11.285 1.00 0.00 C ATOM 685 C ASP A 44 6.560 5.775 11.064 1.00 0.00 C ATOM 686 O ASP A 44 7.274 5.839 10.053 1.00 0.00 O ATOM 687 CB ASP A 44 5.883 7.888 12.212 1.00 0.00 C ATOM 688 CG ASP A 44 7.212 8.502 11.760 1.00 0.00 C ATOM 689 OD1 ASP A 44 7.216 9.368 10.855 1.00 0.00 O ATOM 690 OD2 ASP A 44 8.277 8.111 12.296 1.00 0.00 O ATOM 0 H ASP A 44 3.946 6.348 12.753 1.00 0.00 H new ATOM 0 HA ASP A 44 5.136 7.194 10.326 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.120 8.665 12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.990 7.502 13.226 1.00 0.00 H new ATOM 695 N SER A 45 6.696 4.846 11.972 1.00 0.00 N ATOM 696 CA SER A 45 7.771 3.916 11.975 1.00 0.00 C ATOM 697 C SER A 45 7.472 2.674 11.132 1.00 0.00 C ATOM 698 O SER A 45 8.288 1.753 11.058 1.00 0.00 O ATOM 699 CB SER A 45 7.998 3.513 13.396 1.00 0.00 C ATOM 700 OG SER A 45 8.311 4.634 14.218 1.00 0.00 O ATOM 0 H SER A 45 6.042 4.720 12.744 1.00 0.00 H new ATOM 0 HA SER A 45 8.651 4.386 11.537 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.107 3.017 13.781 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.811 2.789 13.443 1.00 0.00 H new ATOM 0 HG SER A 45 8.451 4.334 15.140 1.00 0.00 H new ATOM 706 N MET A 46 6.328 2.648 10.524 1.00 0.00 N ATOM 707 CA MET A 46 5.922 1.511 9.722 1.00 0.00 C ATOM 708 C MET A 46 5.835 1.944 8.265 1.00 0.00 C ATOM 709 O MET A 46 5.067 2.842 7.930 1.00 0.00 O ATOM 710 CB MET A 46 4.554 1.023 10.190 1.00 0.00 C ATOM 711 CG MET A 46 4.157 -0.360 9.696 1.00 0.00 C ATOM 712 SD MET A 46 5.230 -1.655 10.371 1.00 0.00 S ATOM 713 CE MET A 46 4.427 -3.125 9.773 1.00 0.00 C ATOM 0 H MET A 46 5.644 3.404 10.562 1.00 0.00 H new ATOM 0 HA MET A 46 6.647 0.704 9.826 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.540 1.020 11.280 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.799 1.739 9.864 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.123 -0.563 9.977 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.202 -0.383 8.607 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.518 -3.917 10.516 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.372 -2.916 9.593 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.897 -3.444 8.843 1.00 0.00 H new ATOM 723 N ARG A 47 6.611 1.337 7.415 1.00 0.00 N ATOM 724 CA ARG A 47 6.628 1.685 6.011 1.00 0.00 C ATOM 725 C ARG A 47 5.872 0.733 5.144 1.00 0.00 C ATOM 726 O ARG A 47 5.826 -0.469 5.399 1.00 0.00 O ATOM 727 CB ARG A 47 8.003 1.948 5.463 1.00 0.00 C ATOM 728 CG ARG A 47 8.619 3.201 6.003 1.00 0.00 C ATOM 729 CD ARG A 47 9.895 3.527 5.290 1.00 0.00 C ATOM 730 NE ARG A 47 10.919 2.487 5.426 1.00 0.00 N ATOM 731 CZ ARG A 47 12.172 2.609 4.984 1.00 0.00 C ATOM 732 NH1 ARG A 47 12.563 3.733 4.381 1.00 0.00 N ATOM 733 NH2 ARG A 47 13.027 1.609 5.145 1.00 0.00 N ATOM 0 H ARG A 47 7.253 0.586 7.669 1.00 0.00 H new ATOM 0 HA ARG A 47 6.093 2.634 5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.649 1.102 5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.948 2.016 4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.918 4.029 5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.815 3.083 7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.682 3.681 4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.289 4.467 5.676 1.00 0.00 H new ATOM 0 HE ARG A 47 10.657 1.616 5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.904 4.501 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.521 3.824 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.726 0.750 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.986 1.699 4.808 1.00 0.00 H new ATOM 747 N ILE A 48 5.250 1.289 4.138 1.00 0.00 N ATOM 748 CA ILE A 48 4.431 0.533 3.212 1.00 0.00 C ATOM 749 C ILE A 48 5.030 0.570 1.809 1.00 0.00 C ATOM 750 O ILE A 48 5.160 1.641 1.210 1.00 0.00 O ATOM 751 CB ILE A 48 2.998 1.111 3.148 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.307 1.046 4.517 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.176 0.395 2.091 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.126 -0.355 5.075 1.00 0.00 C ATOM 0 H ILE A 48 5.294 2.287 3.932 1.00 0.00 H new ATOM 0 HA ILE A 48 4.396 -0.495 3.572 1.00 0.00 H new ATOM 0 HB ILE A 48 3.075 2.161 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.887 1.633 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.328 1.519 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.172 0.818 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.649 0.519 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.117 -0.666 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.630 -0.299 6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.518 -0.944 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.101 -0.828 5.193 1.00 0.00 H new ATOM 766 N GLN A 49 5.364 -0.582 1.294 1.00 0.00 N ATOM 767 CA GLN A 49 5.907 -0.707 -0.034 1.00 0.00 C ATOM 768 C GLN A 49 4.938 -1.445 -0.925 1.00 0.00 C ATOM 769 O GLN A 49 4.194 -2.298 -0.457 1.00 0.00 O ATOM 770 CB GLN A 49 7.248 -1.407 -0.010 1.00 0.00 C ATOM 771 CG GLN A 49 8.284 -0.663 0.792 1.00 0.00 C ATOM 772 CD GLN A 49 9.607 -1.364 0.804 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.869 -2.199 1.661 1.00 0.00 O ATOM 774 NE2 GLN A 49 10.457 -1.023 -0.124 1.00 0.00 N ATOM 0 H GLN A 49 5.267 -1.469 1.788 1.00 0.00 H new ATOM 0 HA GLN A 49 6.061 0.294 -0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.123 -2.407 0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.606 -1.530 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.410 0.338 0.379 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.930 -0.543 1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.199 -0.323 -0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.380 -1.456 -0.154 1.00 0.00 H new ATOM 783 N LEU A 50 4.939 -1.119 -2.183 1.00 0.00 N ATOM 784 CA LEU A 50 4.019 -1.731 -3.125 1.00 0.00 C ATOM 785 C LEU A 50 4.768 -2.529 -4.182 1.00 0.00 C ATOM 786 O LEU A 50 5.672 -2.014 -4.865 1.00 0.00 O ATOM 787 CB LEU A 50 3.080 -0.645 -3.750 1.00 0.00 C ATOM 788 CG LEU A 50 1.945 -1.094 -4.743 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.998 0.055 -4.976 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.502 -1.517 -6.096 1.00 0.00 C ATOM 0 H LEU A 50 5.568 -0.428 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 50 3.387 -2.440 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.605 -0.110 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.711 0.072 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 50 1.438 -1.945 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.212 -0.255 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.553 0.357 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.544 0.895 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.683 -1.819 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.036 -0.681 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.186 -2.355 -5.962 1.00 0.00 H new ATOM 802 N PHE A 51 4.396 -3.772 -4.295 1.00 0.00 N ATOM 803 CA PHE A 51 4.901 -4.672 -5.302 1.00 0.00 C ATOM 804 C PHE A 51 3.720 -5.037 -6.187 1.00 0.00 C ATOM 805 O PHE A 51 2.573 -5.053 -5.705 1.00 0.00 O ATOM 806 CB PHE A 51 5.476 -5.946 -4.660 1.00 0.00 C ATOM 807 CG PHE A 51 6.661 -5.745 -3.742 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.485 -5.380 -2.417 1.00 0.00 C ATOM 809 CD2 PHE A 51 7.949 -5.947 -4.203 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.572 -5.218 -1.579 1.00 0.00 C ATOM 811 CE2 PHE A 51 9.038 -5.786 -3.371 1.00 0.00 C ATOM 812 CZ PHE A 51 8.849 -5.422 -2.055 1.00 0.00 C ATOM 0 H PHE A 51 3.713 -4.204 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 51 5.702 -4.199 -5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.682 -6.435 -4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.769 -6.630 -5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.488 -5.220 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.105 -6.236 -5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.420 -4.931 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.037 -5.945 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.698 -5.297 -1.400 1.00 0.00 H new ATOM 822 N ASP A 52 3.954 -5.309 -7.450 1.00 0.00 N ATOM 823 CA ASP A 52 2.864 -5.584 -8.346 1.00 0.00 C ATOM 824 C ASP A 52 2.387 -7.015 -8.208 1.00 0.00 C ATOM 825 O ASP A 52 2.779 -7.740 -7.281 1.00 0.00 O ATOM 826 CB ASP A 52 3.253 -5.311 -9.796 1.00 0.00 C ATOM 827 CG ASP A 52 4.151 -6.358 -10.428 1.00 0.00 C ATOM 828 OD1 ASP A 52 5.245 -6.602 -9.942 1.00 0.00 O ATOM 829 OD2 ASP A 52 3.729 -6.965 -11.423 1.00 0.00 O ATOM 0 H ASP A 52 4.881 -5.345 -7.874 1.00 0.00 H new ATOM 0 HA ASP A 52 2.050 -4.914 -8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.343 -5.228 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.756 -4.345 -9.846 1.00 0.00 H new ATOM 834 N GLY A 53 1.541 -7.407 -9.127 1.00 0.00 N ATOM 835 CA GLY A 53 0.978 -8.736 -9.123 1.00 0.00 C ATOM 836 C GLY A 53 2.016 -9.797 -9.407 1.00 0.00 C ATOM 837 O GLY A 53 1.902 -10.937 -8.925 1.00 0.00 O ATOM 0 H GLY A 53 1.223 -6.818 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.518 -8.931 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.186 -8.796 -9.870 1.00 0.00 H new ATOM 841 N ASP A 54 3.023 -9.432 -10.177 1.00 0.00 N ATOM 842 CA ASP A 54 4.102 -10.327 -10.511 1.00 0.00 C ATOM 843 C ASP A 54 5.140 -10.401 -9.421 1.00 0.00 C ATOM 844 O ASP A 54 5.283 -11.456 -8.771 1.00 0.00 O ATOM 845 CB ASP A 54 4.762 -9.971 -11.849 1.00 0.00 C ATOM 846 CG ASP A 54 3.964 -10.402 -13.056 1.00 0.00 C ATOM 847 OD1 ASP A 54 2.990 -9.728 -13.439 1.00 0.00 O ATOM 848 OD2 ASP A 54 4.322 -11.437 -13.656 1.00 0.00 O ATOM 0 H ASP A 54 3.111 -8.502 -10.587 1.00 0.00 H new ATOM 0 HA ASP A 54 3.648 -11.313 -10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.915 -8.893 -11.892 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.747 -10.435 -11.892 1.00 0.00 H new ATOM 853 N ASP A 55 5.857 -9.295 -9.167 1.00 0.00 N ATOM 854 CA ASP A 55 6.947 -9.327 -8.201 1.00 0.00 C ATOM 855 C ASP A 55 7.581 -7.979 -7.933 1.00 0.00 C ATOM 856 O ASP A 55 7.792 -7.622 -6.778 1.00 0.00 O ATOM 857 CB ASP A 55 8.045 -10.303 -8.639 1.00 0.00 C ATOM 858 CG ASP A 55 9.237 -10.317 -7.701 1.00 0.00 C ATOM 859 OD1 ASP A 55 9.175 -10.988 -6.654 1.00 0.00 O ATOM 860 OD2 ASP A 55 10.267 -9.676 -8.019 1.00 0.00 O ATOM 0 H ASP A 55 5.701 -8.390 -9.610 1.00 0.00 H new ATOM 0 HA ASP A 55 6.482 -9.659 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.627 -11.308 -8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.382 -10.036 -9.641 1.00 0.00 H new ATOM 865 N GLN A 56 7.870 -7.242 -8.986 1.00 0.00 N ATOM 866 CA GLN A 56 8.665 -6.028 -8.885 1.00 0.00 C ATOM 867 C GLN A 56 8.108 -4.961 -7.973 1.00 0.00 C ATOM 868 O GLN A 56 6.894 -4.689 -7.928 1.00 0.00 O ATOM 869 CB GLN A 56 8.997 -5.432 -10.242 1.00 0.00 C ATOM 870 CG GLN A 56 7.798 -5.158 -11.120 1.00 0.00 C ATOM 871 CD GLN A 56 8.165 -4.445 -12.394 1.00 0.00 C ATOM 872 OE1 GLN A 56 8.149 -3.211 -12.455 1.00 0.00 O ATOM 873 NE2 GLN A 56 8.504 -5.194 -13.407 1.00 0.00 N ATOM 0 H GLN A 56 7.564 -7.463 -9.933 1.00 0.00 H new ATOM 0 HA GLN A 56 9.583 -6.376 -8.412 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.541 -4.500 -10.091 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.668 -6.111 -10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.308 -6.100 -11.364 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.077 -4.557 -10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.503 -6.210 -13.313 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.770 -4.764 -14.293 1.00 0.00 H new ATOM 882 N LEU A 57 9.022 -4.362 -7.260 1.00 0.00 N ATOM 883 CA LEU A 57 8.743 -3.270 -6.386 1.00 0.00 C ATOM 884 C LEU A 57 8.502 -2.043 -7.219 1.00 0.00 C ATOM 885 O LEU A 57 9.367 -1.629 -7.991 1.00 0.00 O ATOM 886 CB LEU A 57 9.944 -3.033 -5.451 1.00 0.00 C ATOM 887 CG LEU A 57 9.849 -1.844 -4.481 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.694 -2.011 -3.510 1.00 0.00 C ATOM 889 CD2 LEU A 57 11.158 -1.661 -3.732 1.00 0.00 C ATOM 0 H LEU A 57 10.006 -4.632 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 57 7.863 -3.491 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.100 -3.938 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.832 -2.897 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 57 9.658 -0.947 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.656 -1.153 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.759 -2.079 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.837 -2.921 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.072 -0.815 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.381 -2.564 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.961 -1.473 -4.444 1.00 0.00 H new ATOM 901 N LYS A 58 7.341 -1.485 -7.100 1.00 0.00 N ATOM 902 CA LYS A 58 7.033 -0.285 -7.815 1.00 0.00 C ATOM 903 C LYS A 58 7.546 0.897 -7.048 1.00 0.00 C ATOM 904 O LYS A 58 8.139 1.819 -7.614 1.00 0.00 O ATOM 905 CB LYS A 58 5.537 -0.163 -8.066 1.00 0.00 C ATOM 906 CG LYS A 58 4.971 -1.214 -9.016 1.00 0.00 C ATOM 907 CD LYS A 58 5.642 -1.128 -10.382 1.00 0.00 C ATOM 908 CE LYS A 58 5.025 -2.089 -11.386 1.00 0.00 C ATOM 909 NZ LYS A 58 5.657 -1.962 -12.719 1.00 0.00 N ATOM 0 H LYS A 58 6.587 -1.841 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 58 7.522 -0.319 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.014 -0.233 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.328 0.827 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.119 -2.208 -8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.896 -1.071 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.562 -0.109 -10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.705 -1.347 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.135 -3.112 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.956 -1.893 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.009 -2.325 -13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.866 -0.961 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.540 -2.510 -12.738 1.00 0.00 H new ATOM 923 N GLY A 59 7.338 0.868 -5.773 1.00 0.00 N ATOM 924 CA GLY A 59 7.826 1.914 -4.949 1.00 0.00 C ATOM 925 C GLY A 59 7.285 1.833 -3.568 1.00 0.00 C ATOM 926 O GLY A 59 6.679 0.820 -3.183 1.00 0.00 O ATOM 0 H GLY A 59 6.833 0.130 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.915 1.871 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.559 2.876 -5.387 1.00 0.00 H new ATOM 930 N GLU A 60 7.499 2.866 -2.824 1.00 0.00 N ATOM 931 CA GLU A 60 7.045 2.944 -1.486 1.00 0.00 C ATOM 932 C GLU A 60 5.980 4.014 -1.401 1.00 0.00 C ATOM 933 O GLU A 60 6.134 5.109 -1.966 1.00 0.00 O ATOM 934 CB GLU A 60 8.221 3.248 -0.565 1.00 0.00 C ATOM 935 CG GLU A 60 7.880 3.289 0.909 1.00 0.00 C ATOM 936 CD GLU A 60 9.088 3.553 1.742 1.00 0.00 C ATOM 937 OE1 GLU A 60 9.431 4.737 1.937 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.732 2.598 2.193 1.00 0.00 O ATOM 0 H GLU A 60 8.005 3.693 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 60 6.613 1.995 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.993 2.495 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.649 4.209 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.135 4.064 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.432 2.341 1.206 1.00 0.00 H new ATOM 945 N LEU A 61 4.908 3.702 -0.730 1.00 0.00 N ATOM 946 CA LEU A 61 3.817 4.617 -0.604 1.00 0.00 C ATOM 947 C LEU A 61 3.795 5.226 0.761 1.00 0.00 C ATOM 948 O LEU A 61 4.450 6.203 1.005 1.00 0.00 O ATOM 949 CB LEU A 61 2.471 3.949 -0.957 1.00 0.00 C ATOM 950 CG LEU A 61 2.331 3.413 -2.383 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.997 2.719 -2.548 1.00 0.00 C ATOM 952 CD2 LEU A 61 2.464 4.534 -3.397 1.00 0.00 C ATOM 0 H LEU A 61 4.769 2.809 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 61 3.966 5.421 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.307 3.124 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.675 4.673 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 61 3.132 2.695 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.907 2.341 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.930 1.888 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.192 3.427 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.361 4.128 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.685 5.276 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.442 5.004 -3.294 1.00 0.00 H new ATOM 964 N THR A 62 3.000 4.638 1.600 1.00 0.00 N ATOM 965 CA THR A 62 2.833 4.927 3.043 1.00 0.00 C ATOM 966 C THR A 62 1.939 6.151 3.300 1.00 0.00 C ATOM 967 O THR A 62 1.631 6.486 4.449 1.00 0.00 O ATOM 968 CB THR A 62 4.165 4.923 3.925 1.00 0.00 C ATOM 969 OG1 THR A 62 3.812 4.771 5.299 1.00 0.00 O ATOM 970 CG2 THR A 62 4.961 6.222 3.825 1.00 0.00 C ATOM 0 H THR A 62 2.390 3.879 1.297 1.00 0.00 H new ATOM 0 HA THR A 62 2.300 4.052 3.416 1.00 0.00 H new ATOM 0 HB THR A 62 4.778 4.105 3.547 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.059 5.361 5.510 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.853 6.151 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.255 6.390 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.345 7.054 4.167 1.00 0.00 H new ATOM 978 N ASP A 63 1.510 6.789 2.221 1.00 0.00 N ATOM 979 CA ASP A 63 0.624 7.940 2.296 1.00 0.00 C ATOM 980 C ASP A 63 -0.781 7.463 2.530 1.00 0.00 C ATOM 981 O ASP A 63 -1.255 6.569 1.831 1.00 0.00 O ATOM 982 CB ASP A 63 0.647 8.765 0.997 1.00 0.00 C ATOM 983 CG ASP A 63 1.992 9.367 0.656 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.402 10.349 1.305 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.656 8.880 -0.292 1.00 0.00 O ATOM 0 H ASP A 63 1.766 6.523 1.270 1.00 0.00 H new ATOM 0 HA ASP A 63 0.968 8.573 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.329 8.128 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.085 9.568 1.079 1.00 0.00 H new ATOM 990 N GLY A 64 -1.442 8.028 3.493 1.00 0.00 N ATOM 991 CA GLY A 64 -2.794 7.617 3.766 1.00 0.00 C ATOM 992 C GLY A 64 -3.773 8.737 3.704 1.00 0.00 C ATOM 993 O GLY A 64 -4.921 8.570 4.071 1.00 0.00 O ATOM 0 H GLY A 64 -1.079 8.765 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.085 6.849 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.835 7.162 4.755 1.00 0.00 H new ATOM 997 N ALA A 65 -3.327 9.887 3.256 1.00 0.00 N ATOM 998 CA ALA A 65 -4.230 10.997 3.013 1.00 0.00 C ATOM 999 C ALA A 65 -4.828 10.811 1.629 1.00 0.00 C ATOM 1000 O ALA A 65 -5.730 11.528 1.200 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.496 12.326 3.112 1.00 0.00 C ATOM 0 H ALA A 65 -2.347 10.082 3.051 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.018 11.012 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.194 13.142 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.070 12.433 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.697 12.356 2.371 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.295 9.826 0.949 1.00 0.00 N ATOM 1008 CA LYS A 66 -4.714 9.435 -0.350 1.00 0.00 C ATOM 1009 C LYS A 66 -5.396 8.087 -0.267 1.00 0.00 C ATOM 1010 O LYS A 66 -5.192 7.330 0.703 1.00 0.00 O ATOM 1011 CB LYS A 66 -3.506 9.340 -1.269 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.800 10.656 -1.504 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.590 10.459 -2.387 1.00 0.00 C ATOM 1014 CE LYS A 66 -0.861 11.750 -2.673 1.00 0.00 C ATOM 1015 NZ LYS A 66 0.268 11.525 -3.602 1.00 0.00 N ATOM 0 H LYS A 66 -3.528 9.260 1.311 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.410 10.174 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.796 8.630 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.825 8.935 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.485 11.365 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.495 11.087 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.906 9.759 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.902 10.006 -3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.552 12.475 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.491 12.177 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.753 12.427 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.937 10.851 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.092 11.139 -4.498 1.00 0.00 H new ATOM 1029 N SER A 67 -6.182 7.779 -1.258 1.00 0.00 N ATOM 1030 CA SER A 67 -6.882 6.557 -1.302 1.00 0.00 C ATOM 1031 C SER A 67 -5.992 5.539 -1.970 1.00 0.00 C ATOM 1032 O SER A 67 -4.986 5.908 -2.596 1.00 0.00 O ATOM 1033 CB SER A 67 -8.125 6.746 -2.154 1.00 0.00 C ATOM 1034 OG SER A 67 -8.826 7.916 -1.778 1.00 0.00 O ATOM 0 H SER A 67 -6.347 8.386 -2.061 1.00 0.00 H new ATOM 0 HA SER A 67 -7.159 6.231 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.843 6.809 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.777 5.878 -2.050 1.00 0.00 H new ATOM 0 HG SER A 67 -9.621 8.016 -2.342 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.352 4.288 -1.870 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.630 3.228 -2.548 1.00 0.00 C ATOM 1042 C LEU A 68 -5.655 3.485 -4.051 1.00 0.00 C ATOM 1043 O LEU A 68 -4.681 3.258 -4.755 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.270 1.870 -2.242 1.00 0.00 C ATOM 1045 CG LEU A 68 -6.269 1.432 -0.771 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.970 0.095 -0.618 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.844 1.345 -0.233 1.00 0.00 C ATOM 0 H LEU A 68 -7.150 3.968 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.599 3.214 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.302 1.892 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.752 1.109 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.810 2.181 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.961 -0.203 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.001 0.183 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.452 -0.657 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.868 1.033 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.279 0.618 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.366 2.322 -0.309 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.752 4.035 -4.508 1.00 0.00 N ATOM 1060 CA LYS A 69 -6.950 4.311 -5.911 1.00 0.00 C ATOM 1061 C LYS A 69 -6.115 5.512 -6.324 1.00 0.00 C ATOM 1062 O LYS A 69 -5.548 5.544 -7.411 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.430 4.580 -6.170 1.00 0.00 C ATOM 1064 CG LYS A 69 -8.815 4.790 -7.623 1.00 0.00 C ATOM 1065 CD LYS A 69 -8.450 3.597 -8.496 1.00 0.00 C ATOM 1066 CE LYS A 69 -8.974 3.766 -9.920 1.00 0.00 C ATOM 1067 NZ LYS A 69 -8.480 5.007 -10.568 1.00 0.00 N ATOM 0 H LYS A 69 -7.537 4.306 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.635 3.450 -6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.007 3.743 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.725 5.463 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.888 4.971 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.317 5.682 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.367 3.478 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.862 2.687 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.675 2.905 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.064 3.779 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.752 5.007 -11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.897 5.835 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.444 5.050 -10.491 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.012 6.478 -5.420 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.279 7.709 -5.663 1.00 0.00 C ATOM 1083 C ASP A 70 -3.788 7.391 -5.761 1.00 0.00 C ATOM 1084 O ASP A 70 -3.051 7.984 -6.553 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.536 8.649 -4.495 1.00 0.00 C ATOM 1086 CG ASP A 70 -5.120 10.076 -4.747 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -3.930 10.395 -4.642 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -6.018 10.906 -5.015 1.00 0.00 O ATOM 0 H ASP A 70 -6.437 6.427 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.602 8.176 -6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.599 8.629 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.004 8.276 -3.620 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.375 6.412 -4.975 1.00 0.00 N ATOM 1094 CA LEU A 71 -1.990 5.947 -4.935 1.00 0.00 C ATOM 1095 C LEU A 71 -1.653 4.998 -6.084 1.00 0.00 C ATOM 1096 O LEU A 71 -0.487 4.706 -6.325 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.728 5.252 -3.607 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.795 6.135 -2.367 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.684 5.295 -1.129 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.674 7.152 -2.393 1.00 0.00 C ATOM 0 H LEU A 71 -3.994 5.909 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.350 6.823 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.451 4.444 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.741 4.792 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.752 6.656 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.733 5.936 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.504 4.577 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.734 4.760 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.730 7.778 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.286 6.635 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.769 7.776 -3.282 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.660 4.514 -6.773 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.417 3.624 -7.893 1.00 0.00 C ATOM 1114 C GLY A 72 -2.327 2.168 -7.479 1.00 0.00 C ATOM 1115 O GLY A 72 -1.614 1.371 -8.110 1.00 0.00 O ATOM 0 H GLY A 72 -3.642 4.715 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.217 3.740 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.490 3.914 -8.387 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.016 1.825 -6.418 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.082 0.460 -5.951 1.00 0.00 C ATOM 1121 C VAL A 73 -4.261 -0.207 -6.638 1.00 0.00 C ATOM 1122 O VAL A 73 -5.313 0.404 -6.784 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.304 0.397 -4.408 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.308 -1.039 -3.902 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.267 1.225 -3.664 1.00 0.00 C ATOM 0 H VAL A 73 -3.548 2.486 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.142 -0.042 -6.181 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.286 0.826 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.465 -1.044 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.110 -1.594 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.351 -1.508 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.450 1.159 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.270 0.844 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.337 2.266 -3.981 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.082 -1.430 -7.075 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.142 -2.174 -7.729 1.00 0.00 C ATOM 1137 C ARG A 74 -5.272 -3.524 -7.045 1.00 0.00 C ATOM 1138 O ARG A 74 -4.563 -3.798 -6.066 1.00 0.00 O ATOM 1139 CB ARG A 74 -4.815 -2.395 -9.199 1.00 0.00 C ATOM 1140 CG ARG A 74 -4.554 -1.142 -10.009 1.00 0.00 C ATOM 1141 CD ARG A 74 -4.138 -1.519 -11.413 1.00 0.00 C ATOM 1142 NE ARG A 74 -3.789 -0.364 -12.231 1.00 0.00 N ATOM 1143 CZ ARG A 74 -3.056 -0.432 -13.352 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -2.555 -1.602 -13.755 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -2.817 0.664 -14.060 1.00 0.00 N ATOM 0 H ARG A 74 -3.203 -1.940 -6.990 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.072 -1.610 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.937 -3.037 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.641 -2.937 -9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.451 -0.524 -10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.773 -0.548 -9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.284 -2.195 -11.364 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.950 -2.066 -11.893 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.123 0.552 -11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.729 -2.446 -13.210 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.998 -1.652 -14.608 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.191 1.562 -13.752 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.259 0.609 -14.912 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.146 -4.366 -7.549 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.346 -5.680 -6.973 1.00 0.00 C ATOM 1161 C ASP A 75 -5.325 -6.652 -7.473 1.00 0.00 C ATOM 1162 O ASP A 75 -4.873 -6.580 -8.618 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.763 -6.219 -7.193 1.00 0.00 C ATOM 1164 CG ASP A 75 -8.169 -6.317 -8.644 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.645 -5.303 -9.211 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -8.043 -7.399 -9.236 1.00 0.00 O ATOM 0 H ASP A 75 -6.732 -4.165 -8.359 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.218 -5.564 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.839 -7.207 -6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.470 -5.574 -6.672 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.960 -7.536 -6.609 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.941 -8.512 -6.900 1.00 0.00 C ATOM 1173 C GLY A 76 -2.539 -7.968 -6.666 1.00 0.00 C ATOM 1174 O GLY A 76 -1.554 -8.590 -7.060 1.00 0.00 O ATOM 0 H GLY A 76 -5.356 -7.611 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.096 -9.393 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.035 -8.835 -7.937 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.442 -6.818 -6.019 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.145 -6.205 -5.768 1.00 0.00 C ATOM 1180 C TYR A 77 -0.687 -6.486 -4.367 1.00 0.00 C ATOM 1181 O TYR A 77 -1.503 -6.752 -3.481 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.152 -4.698 -6.079 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.196 -4.371 -7.570 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -2.249 -4.780 -8.365 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.176 -3.644 -8.171 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -2.293 -4.484 -9.708 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.214 -3.340 -9.521 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.278 -3.766 -10.282 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.333 -3.467 -11.622 1.00 0.00 O ATOM 0 H TYR A 77 -3.239 -6.292 -5.660 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.425 -6.658 -6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.013 -4.241 -5.592 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.262 -4.244 -5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.056 -5.345 -7.922 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.661 -3.310 -7.575 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.127 -4.817 -10.308 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.586 -2.773 -9.974 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.539 -2.952 -11.875 1.00 0.00 H new ATOM 1199 N ARG A 78 0.597 -6.431 -4.156 1.00 0.00 N ATOM 1200 CA ARG A 78 1.163 -6.776 -2.883 1.00 0.00 C ATOM 1201 C ARG A 78 1.596 -5.551 -2.133 1.00 0.00 C ATOM 1202 O ARG A 78 2.420 -4.766 -2.606 1.00 0.00 O ATOM 1203 CB ARG A 78 2.340 -7.717 -3.062 1.00 0.00 C ATOM 1204 CG ARG A 78 1.975 -9.053 -3.658 1.00 0.00 C ATOM 1205 CD ARG A 78 3.205 -9.886 -3.908 1.00 0.00 C ATOM 1206 NE ARG A 78 2.869 -11.188 -4.478 1.00 0.00 N ATOM 1207 CZ ARG A 78 3.422 -11.693 -5.586 1.00 0.00 C ATOM 1208 NH1 ARG A 78 4.386 -11.021 -6.210 1.00 0.00 N ATOM 1209 NH2 ARG A 78 3.029 -12.875 -6.048 1.00 0.00 N ATOM 0 H ARG A 78 1.279 -6.147 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 78 0.391 -7.279 -2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.081 -7.237 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.812 -7.880 -2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.302 -9.584 -2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.436 -8.903 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.873 -9.354 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.745 -10.027 -2.972 1.00 0.00 H new ATOM 0 HE ARG A 78 2.165 -11.750 -3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.701 -10.123 -5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.810 -11.404 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.304 -13.399 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.452 -13.258 -6.893 1.00 0.00 H new ATOM 1223 N ILE A 79 1.041 -5.392 -0.978 1.00 0.00 N ATOM 1224 CA ILE A 79 1.371 -4.309 -0.117 1.00 0.00 C ATOM 1225 C ILE A 79 2.208 -4.841 1.025 1.00 0.00 C ATOM 1226 O ILE A 79 1.767 -5.683 1.817 1.00 0.00 O ATOM 1227 CB ILE A 79 0.117 -3.503 0.405 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.555 -2.662 -0.721 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.502 -2.594 1.550 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -1.149 -3.447 -1.867 1.00 0.00 C ATOM 0 H ILE A 79 0.333 -6.022 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 79 1.941 -3.582 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.606 -4.242 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.343 -2.056 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.187 -1.973 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.377 -2.049 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.902 -3.191 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.259 -1.886 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.588 -2.760 -2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.367 -4.032 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.921 -4.117 -1.488 1.00 0.00 H new ATOM 1242 N HIS A 80 3.408 -4.380 1.071 1.00 0.00 N ATOM 1243 CA HIS A 80 4.378 -4.813 2.022 1.00 0.00 C ATOM 1244 C HIS A 80 4.512 -3.820 3.155 1.00 0.00 C ATOM 1245 O HIS A 80 4.844 -2.664 2.936 1.00 0.00 O ATOM 1246 CB HIS A 80 5.721 -5.012 1.309 1.00 0.00 C ATOM 1247 CG HIS A 80 6.870 -5.303 2.212 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.086 -6.527 2.777 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.851 -4.494 2.664 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.142 -6.475 3.553 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.640 -5.248 3.502 1.00 0.00 N ATOM 0 H HIS A 80 3.756 -3.668 0.428 1.00 0.00 H new ATOM 0 HA HIS A 80 4.055 -5.758 2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.620 -5.831 0.596 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.947 -4.115 0.733 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.513 -7.356 2.619 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.990 -3.452 2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.539 -7.294 4.135 1.00 0.00 H new ATOM 1260 N ALA A 81 4.277 -4.278 4.345 1.00 0.00 N ATOM 1261 CA ALA A 81 4.421 -3.460 5.512 1.00 0.00 C ATOM 1262 C ALA A 81 5.715 -3.830 6.218 1.00 0.00 C ATOM 1263 O ALA A 81 6.064 -5.010 6.299 1.00 0.00 O ATOM 1264 CB ALA A 81 3.221 -3.646 6.418 1.00 0.00 C ATOM 0 H ALA A 81 3.978 -5.234 4.537 1.00 0.00 H new ATOM 0 HA ALA A 81 4.467 -2.407 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.334 -3.022 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.315 -3.358 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.149 -4.692 6.717 1.00 0.00 H new ATOM 1270 N VAL A 82 6.448 -2.856 6.680 1.00 0.00 N ATOM 1271 CA VAL A 82 7.694 -3.125 7.337 1.00 0.00 C ATOM 1272 C VAL A 82 8.003 -2.115 8.447 1.00 0.00 C ATOM 1273 O VAL A 82 7.853 -0.908 8.269 1.00 0.00 O ATOM 1274 CB VAL A 82 8.843 -3.177 6.297 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.000 -1.857 5.539 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.141 -3.604 6.926 1.00 0.00 C ATOM 0 H VAL A 82 6.203 -1.868 6.613 1.00 0.00 H new ATOM 0 HA VAL A 82 7.606 -4.098 7.821 1.00 0.00 H new ATOM 0 HB VAL A 82 8.565 -3.934 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.817 -1.944 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.075 -1.630 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.220 -1.056 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.923 -3.629 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.417 -2.896 7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.026 -4.597 7.360 1.00 0.00 H new ATOM 1286 N ASP A 83 8.410 -2.635 9.586 1.00 0.00 N ATOM 1287 CA ASP A 83 8.806 -1.812 10.728 1.00 0.00 C ATOM 1288 C ASP A 83 10.208 -1.284 10.520 1.00 0.00 C ATOM 1289 O ASP A 83 11.105 -2.029 10.153 1.00 0.00 O ATOM 1290 CB ASP A 83 8.747 -2.634 12.024 1.00 0.00 C ATOM 1291 CG ASP A 83 9.293 -1.888 13.238 1.00 0.00 C ATOM 1292 OD1 ASP A 83 10.492 -1.996 13.514 1.00 0.00 O ATOM 1293 OD2 ASP A 83 8.526 -1.203 13.950 1.00 0.00 O ATOM 0 H ASP A 83 8.478 -3.639 9.754 1.00 0.00 H new ATOM 0 HA ASP A 83 8.114 -0.974 10.812 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.713 -2.921 12.217 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.313 -3.555 11.888 1.00 0.00 H new ATOM 1298 N VAL A 84 10.386 -0.007 10.725 1.00 0.00 N ATOM 1299 CA VAL A 84 11.691 0.615 10.563 1.00 0.00 C ATOM 1300 C VAL A 84 12.348 0.810 11.942 1.00 0.00 C ATOM 1301 O VAL A 84 13.548 1.088 12.051 1.00 0.00 O ATOM 1302 CB VAL A 84 11.551 1.993 9.863 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.904 2.580 9.483 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.648 1.898 8.655 1.00 0.00 C ATOM 0 H VAL A 84 9.644 0.634 11.007 1.00 0.00 H new ATOM 0 HA VAL A 84 12.312 -0.035 9.947 1.00 0.00 H new ATOM 0 HB VAL A 84 11.093 2.673 10.582 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.758 3.544 8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.507 2.714 10.381 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.416 1.902 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.567 2.877 8.183 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.066 1.186 7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.659 1.562 8.966 1.00 0.00 H new ATOM 1314 N THR A 85 11.565 0.611 12.985 1.00 0.00 N ATOM 1315 CA THR A 85 12.000 0.851 14.354 1.00 0.00 C ATOM 1316 C THR A 85 13.134 -0.123 14.736 1.00 0.00 C ATOM 1317 O THR A 85 14.040 0.221 15.499 1.00 0.00 O ATOM 1318 CB THR A 85 10.820 0.617 15.313 1.00 0.00 C ATOM 1319 OG1 THR A 85 9.622 1.186 14.747 1.00 0.00 O ATOM 1320 CG2 THR A 85 11.085 1.264 16.670 1.00 0.00 C ATOM 0 H THR A 85 10.604 0.277 12.910 1.00 0.00 H new ATOM 0 HA THR A 85 12.358 1.878 14.429 1.00 0.00 H new ATOM 0 HB THR A 85 10.698 -0.457 15.453 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.067 0.472 14.371 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.237 1.085 17.330 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.984 0.833 17.109 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.224 2.337 16.540 1.00 0.00 H new ATOM 1328 N GLY A 86 13.084 -1.314 14.169 1.00 0.00 N ATOM 1329 CA GLY A 86 14.089 -2.317 14.447 1.00 0.00 C ATOM 1330 C GLY A 86 15.288 -2.220 13.524 1.00 0.00 C ATOM 1331 O GLY A 86 16.211 -3.043 13.607 1.00 0.00 O ATOM 0 H GLY A 86 12.359 -1.608 13.515 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.422 -2.214 15.480 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.643 -3.307 14.353 1.00 0.00 H new ATOM 1335 N GLY A 87 15.276 -1.225 12.635 1.00 0.00 N ATOM 1336 CA GLY A 87 16.375 -1.026 11.691 1.00 0.00 C ATOM 1337 C GLY A 87 16.452 -2.133 10.664 1.00 0.00 C ATOM 1338 O GLY A 87 17.490 -2.364 10.048 1.00 0.00 O ATOM 0 H GLY A 87 14.519 -0.547 12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.247 -0.070 11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.317 -0.973 12.238 1.00 0.00 H new ATOM 1342 N ASN A 88 15.361 -2.816 10.494 1.00 0.00 N ATOM 1343 CA ASN A 88 15.275 -3.918 9.571 1.00 0.00 C ATOM 1344 C ASN A 88 14.682 -3.455 8.263 1.00 0.00 C ATOM 1345 O ASN A 88 13.736 -2.653 8.258 1.00 0.00 O ATOM 1346 CB ASN A 88 14.436 -5.067 10.181 1.00 0.00 C ATOM 1347 CG ASN A 88 13.042 -4.622 10.619 1.00 0.00 C ATOM 1348 OD1 ASN A 88 12.069 -4.764 9.758 1.00 0.00 O flip ATOM 1349 ND2 ASN A 88 12.847 -4.179 11.755 1.00 0.00 N flip ATOM 0 H ASN A 88 14.493 -2.626 10.995 1.00 0.00 H new ATOM 0 HA ASN A 88 16.279 -4.296 9.378 1.00 0.00 H new ATOM 0 HB2 ASN A 88 14.342 -5.869 9.449 1.00 0.00 H new ATOM 0 HB3 ASN A 88 14.966 -5.480 11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 88 13.627 -4.080 12.405 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.906 -3.912 12.044 1.00 0.00 H new ATOM 1356 N GLU A 89 15.271 -3.924 7.149 1.00 0.00 N ATOM 1357 CA GLU A 89 14.795 -3.618 5.788 1.00 0.00 C ATOM 1358 C GLU A 89 14.853 -2.104 5.546 1.00 0.00 C ATOM 1359 O GLU A 89 14.045 -1.545 4.794 1.00 0.00 O ATOM 1360 CB GLU A 89 13.358 -4.123 5.632 1.00 0.00 C ATOM 1361 CG GLU A 89 13.174 -5.614 5.917 1.00 0.00 C ATOM 1362 CD GLU A 89 13.924 -6.504 4.963 1.00 0.00 C ATOM 1363 OE1 GLU A 89 15.118 -6.782 5.195 1.00 0.00 O ATOM 1364 OE2 GLU A 89 13.307 -6.963 3.974 1.00 0.00 O ATOM 0 H GLU A 89 16.093 -4.528 7.167 1.00 0.00 H new ATOM 0 HA GLU A 89 15.432 -4.114 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.712 -3.556 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.022 -3.916 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.504 -5.825 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.112 -5.857 5.870 1.00 0.00 H new ATOM 1371 N ASP A 90 15.821 -1.466 6.179 1.00 0.00 N ATOM 1372 CA ASP A 90 16.023 -0.045 6.118 1.00 0.00 C ATOM 1373 C ASP A 90 16.286 0.423 4.695 1.00 0.00 C ATOM 1374 O ASP A 90 15.458 1.182 4.156 1.00 0.00 O ATOM 1375 CB ASP A 90 17.145 0.388 7.083 1.00 0.00 C ATOM 1376 CG ASP A 90 18.512 -0.188 6.760 1.00 0.00 C ATOM 1377 OD1 ASP A 90 18.735 -1.396 6.992 1.00 0.00 O ATOM 1378 OD2 ASP A 90 19.391 0.557 6.276 1.00 0.00 O ATOM 0 H ASP A 90 16.505 -1.945 6.765 1.00 0.00 H new ATOM 0 HA ASP A 90 15.102 0.440 6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 90 17.213 1.476 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.870 0.092 8.095 1.00 0.00 H new TER 1383 ASP A 90