USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 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 NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 98 TYR OH : rot -24:sc= -0.68 USER MOD Set 1.2: A 100 MET CE :methyl -123:sc= -3.12! (180deg=-4.58!) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.599 K(o=-2,f=-1) USER MOD Set 2.2: A 61 ASN : amide:sc= -1.42 K(o=-2,f=-1!) USER MOD Set 3.1: A 18 MET CE :methyl 142:sc= -1.05 (180deg=-3.5!) USER MOD Set 3.2: A 32 GLN : amide:sc= -4.55 K(o=-17,f=-20!) USER MOD Set 3.3: A 41 GLN : amide:sc= -11.8! C(o=-17!,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.123 (180deg=-1.16!) USER MOD Single : A 3 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.25) USER MOD Single : A 8 SER OG : rot 5:sc= -12.5! USER MOD Single : A 13 ASN : amide:sc= -0.0752 X(o=-0.075,f=0) USER MOD Single : A 14 THR OG1 : rot 98:sc= 0.204 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -3.52! C(o=-3.5!,f=-1.5!) USER MOD Single : A 42 TYR OH : rot -59:sc= -1.03 USER MOD Single : A 43 ASN : amide:sc= -7.15! C(o=-7.1!,f=-16!) USER MOD Single : A 50 THR OG1 : rot -111:sc= -0.247 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.169) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 148:sc= -1.64! USER MOD Single : A 72 SER OG : rot 180:sc= -0.633 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -164:sc=-0.00438 (180deg=-0.0685) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.37) USER MOD Single : A 89 ASN : amide:sc= -0.843 K(o=-0.84,f=-0.18) USER MOD Single : A 90 THR OG1 : rot -120:sc= -0.0498 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 143:sc= 1.16 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 110:sc= -1.64! USER MOD Single : A 103 THR OG1 : rot 23:sc= 0.0548 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -161:sc= -0.149 (180deg=-0.857) USER MOD Single : A 108 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-3.8) USER MOD Single : A 109 MET CE :methyl 162:sc= -8.82! (180deg=-11.1!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 140:sc= -0.502 USER MOD Single : A 117 SER OG : rot 77:sc= 1.12 USER MOD Single : A 118 TYR OH : rot 17:sc= -1.81! USER MOD Single : A 123 LYS NZ :NH3+ -117:sc= -0.169 (180deg=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.846 12.738 12.537 1.00 0.00 N ATOM 2 CA MET A 1 13.656 12.194 11.824 1.00 0.00 C ATOM 3 C MET A 1 13.549 10.690 12.084 1.00 0.00 C ATOM 4 O MET A 1 14.380 10.104 12.749 1.00 0.00 O ATOM 5 CB MET A 1 13.801 12.446 10.321 1.00 0.00 C ATOM 6 CG MET A 1 15.091 11.794 9.815 1.00 0.00 C ATOM 7 SD MET A 1 15.419 12.341 8.121 1.00 0.00 S ATOM 8 CE MET A 1 15.579 10.699 7.376 1.00 0.00 C ATOM 0 H1 MET A 1 15.313 13.450 11.940 1.00 0.00 H new ATOM 0 H2 MET A 1 14.545 13.179 13.430 1.00 0.00 H new ATOM 0 H3 MET A 1 15.512 11.966 12.740 1.00 0.00 H new ATOM 0 HA MET A 1 12.756 12.689 12.188 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.942 12.038 9.789 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.820 13.517 10.121 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.925 12.062 10.463 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.999 10.708 9.847 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.787 10.801 6.311 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.396 10.160 7.855 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.650 10.145 7.512 1.00 0.00 H new ATOM 20 N GLU A 2 12.530 10.059 11.568 1.00 0.00 N ATOM 21 CA GLU A 2 12.370 8.594 11.790 1.00 0.00 C ATOM 22 C GLU A 2 12.705 7.837 10.503 1.00 0.00 C ATOM 23 O GLU A 2 12.742 8.401 9.428 1.00 0.00 O ATOM 24 CB GLU A 2 10.926 8.294 12.192 1.00 0.00 C ATOM 25 CG GLU A 2 10.693 8.743 13.636 1.00 0.00 C ATOM 26 CD GLU A 2 10.462 7.516 14.520 1.00 0.00 C ATOM 27 OE1 GLU A 2 9.693 6.658 14.121 1.00 0.00 O ATOM 28 OE2 GLU A 2 11.060 7.455 15.583 1.00 0.00 O ATOM 0 H GLU A 2 11.801 10.494 11.002 1.00 0.00 H new ATOM 0 HA GLU A 2 13.045 8.275 12.584 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.237 8.811 11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.725 7.227 12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.553 9.307 13.996 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.831 9.409 13.687 1.00 0.00 H new ATOM 35 N HIS A 3 12.945 6.558 10.607 1.00 0.00 N ATOM 36 CA HIS A 3 13.275 5.757 9.394 1.00 0.00 C ATOM 37 C HIS A 3 12.119 5.845 8.394 1.00 0.00 C ATOM 38 O HIS A 3 11.069 6.382 8.691 1.00 0.00 O ATOM 39 CB HIS A 3 13.490 4.295 9.794 1.00 0.00 C ATOM 40 CG HIS A 3 14.962 3.997 9.853 1.00 0.00 C ATOM 41 ND1 HIS A 3 15.450 2.704 9.947 1.00 0.00 N ATOM 42 CD2 HIS A 3 16.066 4.814 9.832 1.00 0.00 C ATOM 43 CE1 HIS A 3 16.792 2.778 9.977 1.00 0.00 C ATOM 44 NE2 HIS A 3 17.222 4.040 9.909 1.00 0.00 N ATOM 0 H HIS A 3 12.927 6.033 11.481 1.00 0.00 H new ATOM 0 HA HIS A 3 14.183 6.148 8.936 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.031 4.102 10.764 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.004 3.636 9.074 1.00 0.00 H new ATOM 0 HD2 HIS A 3 16.042 5.892 9.766 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.444 1.920 10.048 1.00 0.00 H new ATOM 0 HE2 HIS A 3 18.188 4.367 9.913 1.00 0.00 H new ATOM 52 N VAL A 4 12.301 5.322 7.212 1.00 0.00 N ATOM 53 CA VAL A 4 11.212 5.376 6.197 1.00 0.00 C ATOM 54 C VAL A 4 10.168 4.304 6.519 1.00 0.00 C ATOM 55 O VAL A 4 10.479 3.136 6.623 1.00 0.00 O ATOM 56 CB VAL A 4 11.800 5.125 4.804 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.421 3.727 4.746 1.00 0.00 C ATOM 58 CG2 VAL A 4 10.691 5.229 3.754 1.00 0.00 C ATOM 0 H VAL A 4 13.157 4.860 6.906 1.00 0.00 H new ATOM 0 HA VAL A 4 10.740 6.358 6.216 1.00 0.00 H new ATOM 0 HB VAL A 4 12.569 5.871 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.837 3.555 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.214 3.650 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.655 2.980 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.110 5.050 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.922 4.485 3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.251 6.226 3.787 1.00 0.00 H new ATOM 68 N ALA A 5 8.929 4.696 6.684 1.00 0.00 N ATOM 69 CA ALA A 5 7.854 3.702 7.003 1.00 0.00 C ATOM 70 C ALA A 5 8.318 2.780 8.132 1.00 0.00 C ATOM 71 O ALA A 5 9.224 3.100 8.877 1.00 0.00 O ATOM 72 CB ALA A 5 7.556 2.851 5.764 1.00 0.00 C ATOM 0 H ALA A 5 8.614 5.663 6.612 1.00 0.00 H new ATOM 0 HA ALA A 5 6.957 4.239 7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.774 2.129 5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.223 3.496 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.459 2.322 5.460 1.00 0.00 H new ATOM 78 N PHE A 6 7.713 1.626 8.245 1.00 0.00 N ATOM 79 CA PHE A 6 8.129 0.649 9.314 1.00 0.00 C ATOM 80 C PHE A 6 9.654 0.510 9.261 1.00 0.00 C ATOM 81 O PHE A 6 10.361 0.787 10.209 1.00 0.00 O ATOM 82 CB PHE A 6 7.518 -0.756 9.085 1.00 0.00 C ATOM 83 CG PHE A 6 6.467 -0.759 7.990 1.00 0.00 C ATOM 84 CD1 PHE A 6 5.135 -0.499 8.315 1.00 0.00 C ATOM 85 CD2 PHE A 6 6.818 -1.033 6.655 1.00 0.00 C ATOM 86 CE1 PHE A 6 4.157 -0.516 7.318 1.00 0.00 C ATOM 87 CE2 PHE A 6 5.838 -1.046 5.666 1.00 0.00 C ATOM 88 CZ PHE A 6 4.511 -0.792 5.997 1.00 0.00 C ATOM 0 H PHE A 6 6.949 1.312 7.647 1.00 0.00 H new ATOM 0 HA PHE A 6 7.779 1.025 10.275 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.312 -1.456 8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.072 -1.111 10.014 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.860 -0.285 9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.848 -1.233 6.398 1.00 0.00 H new ATOM 0 HE1 PHE A 6 3.126 -0.315 7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.108 -1.253 4.641 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.752 -0.809 5.229 1.00 0.00 H new ATOM 98 N GLY A 7 10.140 0.096 8.129 1.00 0.00 N ATOM 99 CA GLY A 7 11.603 -0.068 7.918 1.00 0.00 C ATOM 100 C GLY A 7 11.834 -0.179 6.412 1.00 0.00 C ATOM 101 O GLY A 7 12.712 -0.879 5.949 1.00 0.00 O ATOM 0 H GLY A 7 9.569 -0.142 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.148 0.782 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.968 -0.959 8.430 1.00 0.00 H new ATOM 105 N SER A 8 11.017 0.496 5.647 1.00 0.00 N ATOM 106 CA SER A 8 11.137 0.430 4.167 1.00 0.00 C ATOM 107 C SER A 8 12.544 0.825 3.717 1.00 0.00 C ATOM 108 O SER A 8 13.422 1.083 4.515 1.00 0.00 O ATOM 109 CB SER A 8 10.129 1.382 3.527 1.00 0.00 C ATOM 110 OG SER A 8 9.795 2.407 4.444 1.00 0.00 O ATOM 0 H SER A 8 10.266 1.095 5.991 1.00 0.00 H new ATOM 0 HA SER A 8 10.938 -0.595 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.549 1.815 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.232 0.835 3.235 1.00 0.00 H new ATOM 0 HG SER A 8 10.340 2.312 5.253 1.00 0.00 H new ATOM 116 N GLU A 9 12.746 0.886 2.430 1.00 0.00 N ATOM 117 CA GLU A 9 14.073 1.279 1.878 1.00 0.00 C ATOM 118 C GLU A 9 13.862 2.426 0.896 1.00 0.00 C ATOM 119 O GLU A 9 14.141 2.303 -0.281 1.00 0.00 O ATOM 120 CB GLU A 9 14.688 0.096 1.130 1.00 0.00 C ATOM 121 CG GLU A 9 15.542 -0.729 2.096 1.00 0.00 C ATOM 122 CD GLU A 9 16.372 -1.746 1.310 1.00 0.00 C ATOM 123 OE1 GLU A 9 15.853 -2.288 0.347 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.510 -1.969 1.686 1.00 0.00 O ATOM 0 H GLU A 9 12.037 0.677 1.727 1.00 0.00 H new ATOM 0 HA GLU A 9 14.738 1.582 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.902 -0.525 0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.299 0.454 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.199 -0.073 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.903 -1.243 2.813 1.00 0.00 H new ATOM 131 N ASP A 10 13.344 3.532 1.354 1.00 0.00 N ATOM 132 CA ASP A 10 13.090 4.661 0.421 1.00 0.00 C ATOM 133 C ASP A 10 12.120 4.163 -0.649 1.00 0.00 C ATOM 134 O ASP A 10 12.483 3.972 -1.791 1.00 0.00 O ATOM 135 CB ASP A 10 14.402 5.097 -0.232 1.00 0.00 C ATOM 136 CG ASP A 10 14.920 6.357 0.461 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.576 6.221 1.482 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.654 7.438 -0.039 1.00 0.00 O ATOM 0 H ASP A 10 13.088 3.701 2.327 1.00 0.00 H new ATOM 0 HA ASP A 10 12.670 5.514 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.140 4.299 -0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.246 5.290 -1.293 1.00 0.00 H new ATOM 143 N ILE A 11 10.889 3.932 -0.278 1.00 0.00 N ATOM 144 CA ILE A 11 9.902 3.424 -1.258 1.00 0.00 C ATOM 145 C ILE A 11 9.498 4.539 -2.204 1.00 0.00 C ATOM 146 O ILE A 11 9.747 4.463 -3.375 1.00 0.00 O ATOM 147 CB ILE A 11 8.655 2.920 -0.556 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.988 2.246 0.773 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.948 1.912 -1.454 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.929 1.079 0.516 1.00 0.00 C ATOM 0 H ILE A 11 10.529 4.075 0.666 1.00 0.00 H new ATOM 0 HA ILE A 11 10.365 2.605 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 11 8.014 3.778 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.452 2.961 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.076 1.895 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.051 1.546 -0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.671 2.392 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.616 1.075 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.172 0.592 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.446 0.362 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.844 1.445 0.051 1.00 0.00 H new ATOM 162 N GLU A 12 8.844 5.557 -1.704 1.00 0.00 N ATOM 163 CA GLU A 12 8.375 6.678 -2.580 1.00 0.00 C ATOM 164 C GLU A 12 9.411 7.025 -3.664 1.00 0.00 C ATOM 165 O GLU A 12 9.061 7.351 -4.780 1.00 0.00 O ATOM 166 CB GLU A 12 8.099 7.915 -1.722 1.00 0.00 C ATOM 167 CG GLU A 12 9.400 8.401 -1.082 1.00 0.00 C ATOM 168 CD GLU A 12 9.142 9.709 -0.334 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.137 9.787 0.354 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.953 10.611 -0.461 1.00 0.00 O ATOM 0 H GLU A 12 8.612 5.662 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 12 7.462 6.355 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.667 8.706 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.369 7.677 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.784 7.647 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.161 8.552 -1.848 1.00 0.00 H new ATOM 177 N ASN A 13 10.677 6.943 -3.355 1.00 0.00 N ATOM 178 CA ASN A 13 11.711 7.253 -4.389 1.00 0.00 C ATOM 179 C ASN A 13 11.900 6.016 -5.266 1.00 0.00 C ATOM 180 O ASN A 13 11.997 6.101 -6.475 1.00 0.00 O ATOM 181 CB ASN A 13 13.035 7.608 -3.706 1.00 0.00 C ATOM 182 CG ASN A 13 13.086 9.114 -3.446 1.00 0.00 C ATOM 183 OD1 ASN A 13 13.118 9.547 -2.311 1.00 0.00 O ATOM 184 ND2 ASN A 13 13.098 9.936 -4.459 1.00 0.00 N ATOM 0 H ASN A 13 11.040 6.677 -2.440 1.00 0.00 H new ATOM 0 HA ASN A 13 11.391 8.099 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.130 7.063 -2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.873 7.308 -4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.134 10.943 -4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.071 9.572 -5.411 1.00 0.00 H new ATOM 191 N THR A 14 11.934 4.864 -4.657 1.00 0.00 N ATOM 192 CA THR A 14 12.092 3.597 -5.423 1.00 0.00 C ATOM 193 C THR A 14 10.791 3.291 -6.182 1.00 0.00 C ATOM 194 O THR A 14 10.729 2.370 -6.968 1.00 0.00 O ATOM 195 CB THR A 14 12.389 2.462 -4.425 1.00 0.00 C ATOM 196 OG1 THR A 14 13.751 2.530 -4.029 1.00 0.00 O ATOM 197 CG2 THR A 14 12.114 1.092 -5.058 1.00 0.00 C ATOM 0 H THR A 14 11.858 4.745 -3.647 1.00 0.00 H new ATOM 0 HA THR A 14 12.907 3.688 -6.141 1.00 0.00 H new ATOM 0 HB THR A 14 11.738 2.582 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.819 3.000 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.331 0.307 -4.334 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.067 1.032 -5.355 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.748 0.962 -5.935 1.00 0.00 H new ATOM 205 N LEU A 15 9.756 4.041 -5.950 1.00 0.00 N ATOM 206 CA LEU A 15 8.480 3.781 -6.650 1.00 0.00 C ATOM 207 C LEU A 15 8.379 4.710 -7.866 1.00 0.00 C ATOM 208 O LEU A 15 7.413 4.684 -8.602 1.00 0.00 O ATOM 209 CB LEU A 15 7.327 4.034 -5.674 1.00 0.00 C ATOM 210 CG LEU A 15 7.433 3.067 -4.493 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.563 3.563 -3.341 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.956 1.679 -4.915 1.00 0.00 C ATOM 0 H LEU A 15 9.742 4.828 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 15 8.432 2.749 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.358 5.064 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.372 3.901 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 15 8.473 3.014 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.641 2.872 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.901 4.551 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.525 3.621 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.034 0.995 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.918 1.735 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.575 1.315 -5.735 1.00 0.00 H new ATOM 224 N ALA A 16 9.379 5.529 -8.084 1.00 0.00 N ATOM 225 CA ALA A 16 9.352 6.452 -9.245 1.00 0.00 C ATOM 226 C ALA A 16 10.099 5.808 -10.414 1.00 0.00 C ATOM 227 O ALA A 16 9.851 6.114 -11.564 1.00 0.00 O ATOM 228 CB ALA A 16 10.039 7.763 -8.857 1.00 0.00 C ATOM 0 H ALA A 16 10.214 5.593 -7.501 1.00 0.00 H new ATOM 0 HA ALA A 16 8.322 6.653 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.023 8.447 -9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.512 8.215 -8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.072 7.562 -8.572 1.00 0.00 H new ATOM 234 N LYS A 17 11.011 4.914 -10.133 1.00 0.00 N ATOM 235 CA LYS A 17 11.765 4.253 -11.235 1.00 0.00 C ATOM 236 C LYS A 17 11.784 2.738 -11.008 1.00 0.00 C ATOM 237 O LYS A 17 12.776 2.078 -11.248 1.00 0.00 O ATOM 238 CB LYS A 17 13.201 4.783 -11.267 1.00 0.00 C ATOM 239 CG LYS A 17 13.188 6.256 -11.683 1.00 0.00 C ATOM 240 CD LYS A 17 14.351 6.532 -12.638 1.00 0.00 C ATOM 241 CE LYS A 17 14.193 5.683 -13.900 1.00 0.00 C ATOM 242 NZ LYS A 17 14.975 6.296 -15.012 1.00 0.00 N ATOM 0 H LYS A 17 11.264 4.615 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 17 11.278 4.471 -12.185 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.663 4.675 -10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.800 4.201 -11.967 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.242 6.499 -12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.269 6.893 -10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.376 7.590 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.298 6.302 -12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.541 4.667 -13.714 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.141 5.614 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.868 5.719 -15.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.623 7.258 -15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.980 6.339 -14.747 1.00 0.00 H new ATOM 256 N MET A 18 10.695 2.181 -10.550 1.00 0.00 N ATOM 257 CA MET A 18 10.653 0.713 -10.313 1.00 0.00 C ATOM 258 C MET A 18 9.415 0.122 -10.994 1.00 0.00 C ATOM 259 O MET A 18 8.377 0.749 -11.068 1.00 0.00 O ATOM 260 CB MET A 18 10.584 0.444 -8.810 1.00 0.00 C ATOM 261 CG MET A 18 10.526 -1.062 -8.562 1.00 0.00 C ATOM 262 SD MET A 18 8.810 -1.561 -8.273 1.00 0.00 S ATOM 263 CE MET A 18 8.744 -1.131 -6.517 1.00 0.00 C ATOM 0 H MET A 18 9.834 2.681 -10.330 1.00 0.00 H new ATOM 0 HA MET A 18 11.550 0.251 -10.725 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.455 0.871 -8.313 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.705 0.927 -8.384 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.932 -1.598 -9.420 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.142 -1.324 -7.701 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.766 -0.711 -6.282 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.908 -2.026 -5.917 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.518 -0.397 -6.293 1.00 0.00 H new ATOM 273 N ASP A 19 9.517 -1.081 -11.489 1.00 0.00 N ATOM 274 CA ASP A 19 8.348 -1.714 -12.161 1.00 0.00 C ATOM 275 C ASP A 19 8.094 -3.091 -11.543 1.00 0.00 C ATOM 276 O ASP A 19 7.047 -3.346 -10.981 1.00 0.00 O ATOM 277 CB ASP A 19 8.642 -1.871 -13.655 1.00 0.00 C ATOM 278 CG ASP A 19 7.376 -1.572 -14.459 1.00 0.00 C ATOM 279 OD1 ASP A 19 7.030 -0.408 -14.572 1.00 0.00 O ATOM 280 OD2 ASP A 19 6.773 -2.514 -14.947 1.00 0.00 O ATOM 0 H ASP A 19 10.361 -1.653 -11.457 1.00 0.00 H new ATOM 0 HA ASP A 19 7.467 -1.086 -12.029 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.442 -1.193 -13.952 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.987 -2.883 -13.864 1.00 0.00 H new ATOM 285 N ASP A 20 9.045 -3.980 -11.639 1.00 0.00 N ATOM 286 CA ASP A 20 8.862 -5.337 -11.053 1.00 0.00 C ATOM 287 C ASP A 20 10.209 -6.060 -11.017 1.00 0.00 C ATOM 288 O ASP A 20 10.633 -6.655 -11.989 1.00 0.00 O ATOM 289 CB ASP A 20 7.878 -6.139 -11.906 1.00 0.00 C ATOM 290 CG ASP A 20 7.116 -7.120 -11.014 1.00 0.00 C ATOM 291 OD1 ASP A 20 6.110 -6.719 -10.451 1.00 0.00 O ATOM 292 OD2 ASP A 20 7.552 -8.254 -10.906 1.00 0.00 O ATOM 0 H ASP A 20 9.942 -3.824 -12.099 1.00 0.00 H new ATOM 0 HA ASP A 20 8.469 -5.243 -10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.180 -5.467 -12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.413 -6.680 -12.687 1.00 0.00 H new ATOM 297 N GLY A 21 10.888 -6.016 -9.903 1.00 0.00 N ATOM 298 CA GLY A 21 12.208 -6.700 -9.807 1.00 0.00 C ATOM 299 C GLY A 21 13.210 -5.791 -9.092 1.00 0.00 C ATOM 300 O GLY A 21 14.208 -6.244 -8.570 1.00 0.00 O ATOM 0 H GLY A 21 10.585 -5.536 -9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.103 -7.639 -9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.574 -6.947 -10.804 1.00 0.00 H new ATOM 304 N GLN A 22 12.955 -4.510 -9.062 1.00 0.00 N ATOM 305 CA GLN A 22 13.899 -3.581 -8.378 1.00 0.00 C ATOM 306 C GLN A 22 13.627 -3.590 -6.871 1.00 0.00 C ATOM 307 O GLN A 22 14.536 -3.673 -6.069 1.00 0.00 O ATOM 308 CB GLN A 22 13.708 -2.164 -8.924 1.00 0.00 C ATOM 309 CG GLN A 22 14.997 -1.363 -8.726 1.00 0.00 C ATOM 310 CD GLN A 22 14.665 -0.007 -8.103 1.00 0.00 C ATOM 311 OE1 GLN A 22 14.552 0.984 -8.798 1.00 0.00 O ATOM 312 NE2 GLN A 22 14.498 0.082 -6.811 1.00 0.00 N ATOM 0 H GLN A 22 12.136 -4.068 -9.480 1.00 0.00 H new ATOM 0 HA GLN A 22 14.923 -3.906 -8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.450 -2.202 -9.982 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.880 -1.674 -8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.684 -1.912 -8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.501 -1.222 -9.682 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.592 -0.748 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.273 0.982 -6.387 1.00 0.00 H new ATOM 321 N LEU A 23 12.385 -3.508 -6.477 1.00 0.00 N ATOM 322 CA LEU A 23 12.068 -3.515 -5.020 1.00 0.00 C ATOM 323 C LEU A 23 10.997 -4.571 -4.730 1.00 0.00 C ATOM 324 O LEU A 23 10.049 -4.325 -4.010 1.00 0.00 O ATOM 325 CB LEU A 23 11.556 -2.136 -4.596 1.00 0.00 C ATOM 326 CG LEU A 23 12.124 -1.781 -3.220 1.00 0.00 C ATOM 327 CD1 LEU A 23 13.630 -1.539 -3.331 1.00 0.00 C ATOM 328 CD2 LEU A 23 11.441 -0.513 -2.699 1.00 0.00 C ATOM 0 H LEU A 23 11.579 -3.437 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 23 12.971 -3.753 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.853 -1.385 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.467 -2.135 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 23 11.941 -2.605 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.031 -1.286 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.117 -2.441 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.816 -0.717 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.845 -0.259 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.624 0.309 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.368 -0.686 -2.616 1.00 0.00 H new ATOM 340 N ASP A 24 11.142 -5.746 -5.277 1.00 0.00 N ATOM 341 CA ASP A 24 10.136 -6.817 -5.023 1.00 0.00 C ATOM 342 C ASP A 24 10.587 -7.680 -3.833 1.00 0.00 C ATOM 343 O ASP A 24 9.904 -8.604 -3.438 1.00 0.00 O ATOM 344 CB ASP A 24 10.008 -7.701 -6.267 1.00 0.00 C ATOM 345 CG ASP A 24 9.073 -7.033 -7.277 1.00 0.00 C ATOM 346 OD1 ASP A 24 8.952 -5.819 -7.231 1.00 0.00 O ATOM 347 OD2 ASP A 24 8.492 -7.745 -8.080 1.00 0.00 O ATOM 0 H ASP A 24 11.913 -6.012 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 24 9.173 -6.359 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.989 -7.861 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.620 -8.682 -5.990 1.00 0.00 H new ATOM 352 N GLY A 25 11.734 -7.398 -3.263 1.00 0.00 N ATOM 353 CA GLY A 25 12.215 -8.217 -2.114 1.00 0.00 C ATOM 354 C GLY A 25 11.940 -7.492 -0.794 1.00 0.00 C ATOM 355 O GLY A 25 12.495 -7.835 0.232 1.00 0.00 O ATOM 0 H GLY A 25 12.353 -6.638 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.716 -9.186 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.283 -8.408 -2.216 1.00 0.00 H new ATOM 359 N LEU A 26 11.087 -6.503 -0.798 1.00 0.00 N ATOM 360 CA LEU A 26 10.788 -5.788 0.456 1.00 0.00 C ATOM 361 C LEU A 26 10.041 -6.736 1.385 1.00 0.00 C ATOM 362 O LEU A 26 9.558 -7.775 0.983 1.00 0.00 O ATOM 363 CB LEU A 26 9.883 -4.578 0.171 1.00 0.00 C ATOM 364 CG LEU A 26 10.537 -3.633 -0.842 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.456 -3.039 -1.754 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.239 -2.492 -0.100 1.00 0.00 C ATOM 0 H LEU A 26 10.588 -6.166 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 26 11.719 -5.447 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.922 -4.920 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.683 -4.042 1.099 1.00 0.00 H new ATOM 0 HG LEU A 26 11.263 -4.189 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.919 -2.366 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.944 -3.843 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.736 -2.485 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.704 -1.820 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.509 -1.940 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.004 -2.903 0.559 1.00 0.00 H new ATOM 378 N ALA A 27 9.907 -6.352 2.608 1.00 0.00 N ATOM 379 CA ALA A 27 9.143 -7.185 3.586 1.00 0.00 C ATOM 380 C ALA A 27 7.721 -6.620 3.676 1.00 0.00 C ATOM 381 O ALA A 27 7.008 -6.798 4.658 1.00 0.00 O ATOM 382 CB ALA A 27 9.812 -7.121 4.960 1.00 0.00 C ATOM 0 H ALA A 27 10.294 -5.488 2.988 1.00 0.00 H new ATOM 0 HA ALA A 27 9.121 -8.225 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.250 -7.730 5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.832 -7.499 4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.832 -6.088 5.307 1.00 0.00 H new ATOM 388 N PHE A 28 7.318 -5.926 2.645 1.00 0.00 N ATOM 389 CA PHE A 28 5.976 -5.316 2.603 1.00 0.00 C ATOM 390 C PHE A 28 5.602 -5.113 1.146 1.00 0.00 C ATOM 391 O PHE A 28 6.291 -5.557 0.248 1.00 0.00 O ATOM 392 CB PHE A 28 6.009 -3.949 3.297 1.00 0.00 C ATOM 393 CG PHE A 28 7.268 -3.201 2.915 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.485 -3.526 3.526 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.217 -2.183 1.959 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.650 -2.835 3.181 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.385 -1.492 1.612 1.00 0.00 C ATOM 398 CZ PHE A 28 9.600 -1.821 2.225 1.00 0.00 C ATOM 0 H PHE A 28 7.885 -5.758 1.814 1.00 0.00 H new ATOM 0 HA PHE A 28 5.255 -5.960 3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.131 -3.368 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.969 -4.081 4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.524 -4.312 4.265 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.279 -1.929 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.588 -3.086 3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.348 -0.706 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.500 -1.288 1.957 1.00 0.00 H new ATOM 408 N GLY A 29 4.535 -4.428 0.902 1.00 0.00 N ATOM 409 CA GLY A 29 4.130 -4.169 -0.493 1.00 0.00 C ATOM 410 C GLY A 29 4.147 -2.665 -0.715 1.00 0.00 C ATOM 411 O GLY A 29 3.984 -1.908 0.212 1.00 0.00 O ATOM 0 H GLY A 29 3.921 -4.033 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.810 -4.664 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.135 -4.571 -0.682 1.00 0.00 H new ATOM 415 N ALA A 30 4.318 -2.216 -1.922 1.00 0.00 N ATOM 416 CA ALA A 30 4.299 -0.750 -2.158 1.00 0.00 C ATOM 417 C ALA A 30 3.211 -0.488 -3.186 1.00 0.00 C ATOM 418 O ALA A 30 3.346 -0.837 -4.340 1.00 0.00 O ATOM 419 CB ALA A 30 5.660 -0.256 -2.666 1.00 0.00 C ATOM 0 H ALA A 30 4.469 -2.794 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 30 4.098 -0.212 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.618 0.821 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.428 -0.480 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.902 -0.757 -3.603 1.00 0.00 H new ATOM 425 N ILE A 31 2.107 0.074 -2.771 1.00 0.00 N ATOM 426 CA ILE A 31 0.999 0.300 -3.738 1.00 0.00 C ATOM 427 C ILE A 31 0.759 1.797 -3.929 1.00 0.00 C ATOM 428 O ILE A 31 0.825 2.575 -3.001 1.00 0.00 O ATOM 429 CB ILE A 31 -0.287 -0.400 -3.237 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.016 0.438 -2.186 1.00 0.00 C ATOM 431 CG2 ILE A 31 0.076 -1.737 -2.602 1.00 0.00 C ATOM 432 CD1 ILE A 31 -1.942 1.440 -2.878 1.00 0.00 C ATOM 0 H ILE A 31 1.927 0.382 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 31 1.276 -0.127 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.941 -0.536 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.593 -0.210 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.294 0.966 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.830 -2.230 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.569 -2.369 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.749 -1.570 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.460 2.036 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.354 2.096 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.673 0.903 -3.482 1.00 0.00 H new ATOM 444 N GLN A 32 0.461 2.194 -5.128 1.00 0.00 N ATOM 445 CA GLN A 32 0.189 3.628 -5.390 1.00 0.00 C ATOM 446 C GLN A 32 -1.291 3.766 -5.744 1.00 0.00 C ATOM 447 O GLN A 32 -1.962 2.787 -6.005 1.00 0.00 O ATOM 448 CB GLN A 32 1.064 4.117 -6.546 1.00 0.00 C ATOM 449 CG GLN A 32 2.367 4.695 -5.988 1.00 0.00 C ATOM 450 CD GLN A 32 3.551 3.882 -6.510 1.00 0.00 C ATOM 451 OE1 GLN A 32 4.247 3.243 -5.747 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.813 3.879 -7.789 1.00 0.00 N ATOM 0 H GLN A 32 0.394 1.584 -5.943 1.00 0.00 H new ATOM 0 HA GLN A 32 0.420 4.231 -4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.281 3.293 -7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.534 4.876 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.470 5.739 -6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.350 4.673 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.229 4.415 -8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.602 3.340 -8.147 1.00 0.00 H new ATOM 461 N LEU A 33 -1.819 4.957 -5.742 1.00 0.00 N ATOM 462 CA LEU A 33 -3.263 5.118 -6.064 1.00 0.00 C ATOM 463 C LEU A 33 -3.505 6.502 -6.666 1.00 0.00 C ATOM 464 O LEU A 33 -2.776 7.438 -6.405 1.00 0.00 O ATOM 465 CB LEU A 33 -4.097 5.004 -4.781 1.00 0.00 C ATOM 466 CG LEU A 33 -4.003 3.585 -4.211 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.706 3.536 -2.854 1.00 0.00 C ATOM 468 CD2 LEU A 33 -4.675 2.598 -5.168 1.00 0.00 C ATOM 0 H LEU A 33 -1.318 5.820 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.552 4.341 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.742 5.724 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.138 5.250 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.954 3.313 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.640 2.527 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.226 4.236 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.754 3.810 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.606 1.590 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.724 2.868 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.175 2.632 -6.136 1.00 0.00 H new ATOM 480 N ASP A 34 -4.537 6.651 -7.450 1.00 0.00 N ATOM 481 CA ASP A 34 -4.826 7.991 -8.036 1.00 0.00 C ATOM 482 C ASP A 34 -6.286 8.373 -7.785 1.00 0.00 C ATOM 483 O ASP A 34 -7.193 7.663 -8.149 1.00 0.00 O ATOM 484 CB ASP A 34 -4.573 7.987 -9.540 1.00 0.00 C ATOM 485 CG ASP A 34 -3.203 8.606 -9.851 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.593 9.146 -8.943 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.792 8.530 -10.996 1.00 0.00 O ATOM 0 H ASP A 34 -5.188 5.910 -7.709 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.165 8.715 -7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.613 6.966 -9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.357 8.548 -10.049 1.00 0.00 H new ATOM 492 N GLY A 35 -6.466 9.526 -7.197 1.00 0.00 N ATOM 493 CA GLY A 35 -7.807 10.119 -6.883 1.00 0.00 C ATOM 494 C GLY A 35 -8.843 9.093 -6.419 1.00 0.00 C ATOM 495 O GLY A 35 -9.168 8.996 -5.253 1.00 0.00 O ATOM 0 H GLY A 35 -5.689 10.118 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.687 10.876 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.185 10.628 -7.770 1.00 0.00 H new ATOM 499 N ASP A 36 -9.392 8.369 -7.341 1.00 0.00 N ATOM 500 CA ASP A 36 -10.457 7.373 -7.006 1.00 0.00 C ATOM 501 C ASP A 36 -9.876 6.153 -6.287 1.00 0.00 C ATOM 502 O ASP A 36 -10.597 5.249 -5.914 1.00 0.00 O ATOM 503 CB ASP A 36 -11.140 6.919 -8.299 1.00 0.00 C ATOM 504 CG ASP A 36 -11.861 8.107 -8.941 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.518 8.838 -8.217 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.745 8.265 -10.145 1.00 0.00 O ATOM 0 H ASP A 36 -9.151 8.419 -8.331 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.176 7.849 -6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.401 6.512 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.851 6.121 -8.086 1.00 0.00 H new ATOM 511 N GLY A 37 -8.593 6.108 -6.089 1.00 0.00 N ATOM 512 CA GLY A 37 -7.993 4.936 -5.396 1.00 0.00 C ATOM 513 C GLY A 37 -7.629 3.863 -6.425 1.00 0.00 C ATOM 514 O GLY A 37 -7.428 2.707 -6.090 1.00 0.00 O ATOM 0 H GLY A 37 -7.932 6.830 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.104 5.242 -4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.696 4.532 -4.668 1.00 0.00 H new ATOM 518 N ASN A 38 -7.525 4.233 -7.678 1.00 0.00 N ATOM 519 CA ASN A 38 -7.152 3.226 -8.708 1.00 0.00 C ATOM 520 C ASN A 38 -5.677 2.888 -8.516 1.00 0.00 C ATOM 521 O ASN A 38 -4.862 3.757 -8.309 1.00 0.00 O ATOM 522 CB ASN A 38 -7.369 3.801 -10.108 1.00 0.00 C ATOM 523 CG ASN A 38 -8.860 3.767 -10.450 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.441 2.709 -10.582 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.507 4.891 -10.604 1.00 0.00 N ATOM 0 H ASN A 38 -7.681 5.179 -8.025 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.769 2.333 -8.603 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.998 4.825 -10.153 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.804 3.225 -10.841 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.500 4.880 -10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.019 5.780 -10.493 1.00 0.00 H new ATOM 532 N ILE A 39 -5.334 1.638 -8.552 1.00 0.00 N ATOM 533 CA ILE A 39 -3.911 1.248 -8.327 1.00 0.00 C ATOM 534 C ILE A 39 -3.003 1.788 -9.441 1.00 0.00 C ATOM 535 O ILE A 39 -3.321 1.734 -10.613 1.00 0.00 O ATOM 536 CB ILE A 39 -3.834 -0.301 -8.220 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.110 -0.674 -6.926 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.094 -0.943 -9.408 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.123 -0.766 -5.784 1.00 0.00 C ATOM 0 H ILE A 39 -5.974 0.863 -8.727 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.551 1.689 -7.397 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.856 -0.680 -8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.594 -1.627 -7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.350 0.072 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.071 -2.025 -9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.613 -0.698 -10.335 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.074 -0.561 -9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.608 -1.032 -4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.618 0.197 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.866 -1.529 -6.017 1.00 0.00 H new ATOM 551 N LEU A 40 -1.856 2.275 -9.061 1.00 0.00 N ATOM 552 CA LEU A 40 -0.877 2.789 -10.060 1.00 0.00 C ATOM 553 C LEU A 40 0.295 1.804 -10.116 1.00 0.00 C ATOM 554 O LEU A 40 0.958 1.660 -11.125 1.00 0.00 O ATOM 555 CB LEU A 40 -0.353 4.169 -9.635 1.00 0.00 C ATOM 556 CG LEU A 40 -1.457 4.966 -8.931 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.886 6.287 -8.424 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.587 5.253 -9.916 1.00 0.00 C ATOM 0 H LEU A 40 -1.551 2.340 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.357 2.885 -11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.501 4.051 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.001 4.717 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.842 4.386 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.671 6.854 -7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.077 6.088 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.502 6.864 -9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.372 5.820 -9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.200 5.832 -10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.997 4.312 -10.283 1.00 0.00 H new ATOM 570 N GLN A 41 0.549 1.125 -9.026 1.00 0.00 N ATOM 571 CA GLN A 41 1.674 0.141 -8.981 1.00 0.00 C ATOM 572 C GLN A 41 1.463 -0.780 -7.757 1.00 0.00 C ATOM 573 O GLN A 41 0.721 -0.451 -6.853 1.00 0.00 O ATOM 574 CB GLN A 41 3.003 0.930 -8.913 1.00 0.00 C ATOM 575 CG GLN A 41 4.106 0.137 -8.198 1.00 0.00 C ATOM 576 CD GLN A 41 4.021 0.353 -6.679 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.934 -0.006 -5.964 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.968 0.927 -6.147 1.00 0.00 N ATOM 0 H GLN A 41 0.021 1.211 -8.158 1.00 0.00 H new ATOM 0 HA GLN A 41 1.707 -0.490 -9.869 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.330 1.177 -9.923 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.839 1.873 -8.392 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.007 -0.924 -8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.084 0.452 -8.563 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.198 1.231 -6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.920 1.069 -5.138 1.00 0.00 H new ATOM 587 N TYR A 42 2.080 -1.938 -7.730 1.00 0.00 N ATOM 588 CA TYR A 42 1.870 -2.870 -6.576 1.00 0.00 C ATOM 589 C TYR A 42 3.187 -3.590 -6.206 1.00 0.00 C ATOM 590 O TYR A 42 3.776 -3.306 -5.179 1.00 0.00 O ATOM 591 CB TYR A 42 0.798 -3.900 -6.979 1.00 0.00 C ATOM 592 CG TYR A 42 0.183 -4.545 -5.758 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.554 -3.771 -4.857 1.00 0.00 C ATOM 594 CD2 TYR A 42 0.332 -5.923 -5.539 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.148 -4.371 -3.739 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.256 -6.520 -4.417 1.00 0.00 C ATOM 597 CZ TYR A 42 -0.997 -5.747 -3.521 1.00 0.00 C ATOM 598 OH TYR A 42 -1.595 -6.344 -2.430 1.00 0.00 O ATOM 0 H TYR A 42 2.716 -2.276 -8.452 1.00 0.00 H new ATOM 0 HA TYR A 42 1.544 -2.305 -5.703 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.021 -3.411 -7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.244 -4.666 -7.614 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.666 -2.710 -5.023 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.900 -6.523 -6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.722 -3.774 -3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.136 -7.579 -4.245 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.271 -5.921 -1.607 1.00 0.00 H new ATOM 608 N ASN A 43 3.619 -4.518 -7.044 1.00 0.00 N ATOM 609 CA ASN A 43 4.878 -5.332 -6.828 1.00 0.00 C ATOM 610 C ASN A 43 4.483 -6.779 -6.491 1.00 0.00 C ATOM 611 O ASN A 43 3.336 -7.162 -6.605 1.00 0.00 O ATOM 612 CB ASN A 43 5.822 -4.743 -5.747 1.00 0.00 C ATOM 613 CG ASN A 43 5.409 -5.189 -4.342 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.286 -5.582 -4.132 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.281 -5.144 -3.370 1.00 0.00 N ATOM 0 H ASN A 43 3.128 -4.754 -7.906 1.00 0.00 H new ATOM 0 HA ASN A 43 5.452 -5.303 -7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.846 -5.060 -5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.808 -3.655 -5.804 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.014 -5.441 -2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.228 -4.812 -3.550 1.00 0.00 H new ATOM 622 N ALA A 44 5.433 -7.592 -6.127 1.00 0.00 N ATOM 623 CA ALA A 44 5.124 -9.029 -5.839 1.00 0.00 C ATOM 624 C ALA A 44 4.923 -9.324 -4.341 1.00 0.00 C ATOM 625 O ALA A 44 3.951 -9.942 -3.971 1.00 0.00 O ATOM 626 CB ALA A 44 6.273 -9.887 -6.365 1.00 0.00 C ATOM 0 H ALA A 44 6.412 -7.329 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 44 4.182 -9.263 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.064 -10.938 -6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.377 -9.737 -7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.199 -9.599 -5.868 1.00 0.00 H new ATOM 632 N ALA A 45 5.854 -8.943 -3.497 1.00 0.00 N ATOM 633 CA ALA A 45 5.755 -9.254 -2.020 1.00 0.00 C ATOM 634 C ALA A 45 4.313 -9.226 -1.498 1.00 0.00 C ATOM 635 O ALA A 45 3.804 -10.212 -1.000 1.00 0.00 O ATOM 636 CB ALA A 45 6.579 -8.235 -1.231 1.00 0.00 C ATOM 0 H ALA A 45 6.690 -8.424 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 45 6.137 -10.266 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.509 -8.457 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.621 -8.288 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.194 -7.233 -1.419 1.00 0.00 H new ATOM 642 N GLU A 46 3.668 -8.103 -1.573 1.00 0.00 N ATOM 643 CA GLU A 46 2.265 -8.013 -1.049 1.00 0.00 C ATOM 644 C GLU A 46 1.365 -8.986 -1.783 1.00 0.00 C ATOM 645 O GLU A 46 0.622 -9.730 -1.185 1.00 0.00 O ATOM 646 CB GLU A 46 1.687 -6.604 -1.226 1.00 0.00 C ATOM 647 CG GLU A 46 2.303 -5.889 -2.428 1.00 0.00 C ATOM 648 CD GLU A 46 1.566 -4.580 -2.684 1.00 0.00 C ATOM 649 OE1 GLU A 46 0.736 -4.213 -1.867 1.00 0.00 O ATOM 650 OE2 GLU A 46 1.901 -3.890 -3.825 1.00 0.00 O ATOM 0 H GLU A 46 4.041 -7.241 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 46 2.305 -8.256 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.606 -6.667 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.867 -6.020 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.359 -5.692 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.247 -6.527 -3.310 1.00 0.00 H new ATOM 658 N GLY A 47 1.415 -8.975 -3.069 1.00 0.00 N ATOM 659 CA GLY A 47 0.544 -9.897 -3.853 1.00 0.00 C ATOM 660 C GLY A 47 0.899 -11.353 -3.533 1.00 0.00 C ATOM 661 O GLY A 47 0.169 -12.262 -3.870 1.00 0.00 O ATOM 0 H GLY A 47 2.020 -8.370 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.503 -9.709 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.669 -9.710 -4.919 1.00 0.00 H new ATOM 665 N ASP A 48 2.014 -11.591 -2.893 1.00 0.00 N ATOM 666 CA ASP A 48 2.396 -12.995 -2.572 1.00 0.00 C ATOM 667 C ASP A 48 1.660 -13.458 -1.313 1.00 0.00 C ATOM 668 O ASP A 48 1.275 -14.604 -1.197 1.00 0.00 O ATOM 669 CB ASP A 48 3.906 -13.068 -2.334 1.00 0.00 C ATOM 670 CG ASP A 48 4.374 -14.520 -2.459 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.525 -14.978 -3.581 1.00 0.00 O ATOM 672 OD2 ASP A 48 4.575 -15.149 -1.433 1.00 0.00 O ATOM 0 H ASP A 48 2.672 -10.877 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 48 2.124 -13.642 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.429 -12.443 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.148 -12.681 -1.344 1.00 0.00 H new ATOM 677 N ILE A 49 1.466 -12.581 -0.364 1.00 0.00 N ATOM 678 CA ILE A 49 0.767 -12.976 0.881 1.00 0.00 C ATOM 679 C ILE A 49 -0.754 -12.887 0.665 1.00 0.00 C ATOM 680 O ILE A 49 -1.498 -13.782 1.015 1.00 0.00 O ATOM 681 CB ILE A 49 1.252 -12.049 2.011 1.00 0.00 C ATOM 682 CG1 ILE A 49 2.253 -12.808 2.885 1.00 0.00 C ATOM 683 CG2 ILE A 49 0.103 -11.547 2.888 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.538 -13.053 2.090 1.00 0.00 C ATOM 0 H ILE A 49 1.765 -11.606 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 49 0.991 -14.007 1.156 1.00 0.00 H new ATOM 0 HB ILE A 49 1.717 -11.179 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.473 -12.236 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.825 -13.757 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.498 -10.898 3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.605 -10.988 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.404 -12.397 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.252 -13.594 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.310 -13.643 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.968 -12.097 1.790 1.00 0.00 H new ATOM 696 N THR A 50 -1.215 -11.804 0.105 1.00 0.00 N ATOM 697 CA THR A 50 -2.683 -11.640 -0.117 1.00 0.00 C ATOM 698 C THR A 50 -3.079 -12.212 -1.483 1.00 0.00 C ATOM 699 O THR A 50 -4.214 -12.589 -1.700 1.00 0.00 O ATOM 700 CB THR A 50 -3.059 -10.149 -0.066 1.00 0.00 C ATOM 701 OG1 THR A 50 -2.823 -9.565 -1.333 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.216 -9.418 0.979 1.00 0.00 C ATOM 0 H THR A 50 -0.640 -11.023 -0.210 1.00 0.00 H new ATOM 0 HA THR A 50 -3.214 -12.178 0.668 1.00 0.00 H new ATOM 0 HB THR A 50 -4.112 -10.063 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.069 -8.942 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.496 -8.365 1.001 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.389 -9.860 1.960 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.160 -9.507 0.722 1.00 0.00 H new ATOM 710 N GLY A 51 -2.163 -12.274 -2.412 1.00 0.00 N ATOM 711 CA GLY A 51 -2.504 -12.810 -3.757 1.00 0.00 C ATOM 712 C GLY A 51 -2.824 -11.656 -4.717 1.00 0.00 C ATOM 713 O GLY A 51 -3.069 -11.864 -5.889 1.00 0.00 O ATOM 0 H GLY A 51 -1.194 -11.976 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.671 -13.397 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.360 -13.481 -3.684 1.00 0.00 H new ATOM 717 N ARG A 52 -2.825 -10.440 -4.233 1.00 0.00 N ATOM 718 CA ARG A 52 -3.126 -9.282 -5.118 1.00 0.00 C ATOM 719 C ARG A 52 -2.175 -9.277 -6.309 1.00 0.00 C ATOM 720 O ARG A 52 -1.021 -8.915 -6.195 1.00 0.00 O ATOM 721 CB ARG A 52 -2.947 -7.975 -4.347 1.00 0.00 C ATOM 722 CG ARG A 52 -4.308 -7.420 -3.921 1.00 0.00 C ATOM 723 CD ARG A 52 -4.361 -5.918 -4.244 1.00 0.00 C ATOM 724 NE ARG A 52 -4.631 -5.110 -3.010 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.078 -3.937 -2.886 1.00 0.00 C ATOM 726 NH1 ARG A 52 -3.925 -3.177 -3.935 1.00 0.00 N ATOM 727 NH2 ARG A 52 -3.673 -3.521 -1.718 1.00 0.00 N ATOM 0 H ARG A 52 -2.630 -10.202 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.156 -9.370 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.325 -8.145 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.428 -7.246 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.108 -7.945 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.463 -7.581 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.416 -5.605 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.139 -5.729 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.240 -5.474 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.238 -3.502 -4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.492 -2.258 -3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.789 -4.115 -0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.241 -2.602 -1.626 1.00 0.00 H new ATOM 741 N ASP A 53 -2.657 -9.653 -7.454 1.00 0.00 N ATOM 742 CA ASP A 53 -1.788 -9.645 -8.660 1.00 0.00 C ATOM 743 C ASP A 53 -1.569 -8.186 -9.080 1.00 0.00 C ATOM 744 O ASP A 53 -2.389 -7.347 -8.781 1.00 0.00 O ATOM 745 CB ASP A 53 -2.479 -10.410 -9.791 1.00 0.00 C ATOM 746 CG ASP A 53 -1.841 -11.791 -9.940 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.624 -11.862 -9.956 1.00 0.00 O ATOM 748 OD2 ASP A 53 -2.582 -12.756 -10.037 1.00 0.00 O ATOM 0 H ASP A 53 -3.615 -9.966 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.832 -10.122 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.543 -10.511 -9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.392 -9.855 -10.725 1.00 0.00 H new ATOM 753 N PRO A 54 -0.472 -7.915 -9.751 1.00 0.00 N ATOM 754 CA PRO A 54 -0.155 -6.547 -10.199 1.00 0.00 C ATOM 755 C PRO A 54 -0.971 -6.187 -11.445 1.00 0.00 C ATOM 756 O PRO A 54 -1.649 -5.178 -11.483 1.00 0.00 O ATOM 757 CB PRO A 54 1.340 -6.611 -10.517 1.00 0.00 C ATOM 758 CG PRO A 54 1.670 -8.101 -10.778 1.00 0.00 C ATOM 759 CD PRO A 54 0.547 -8.924 -10.120 1.00 0.00 C ATOM 0 HA PRO A 54 -0.393 -5.786 -9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.577 -6.002 -11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.930 -6.222 -9.687 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.723 -8.304 -11.848 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.640 -8.362 -10.355 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.142 -9.667 -10.807 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.909 -9.464 -9.245 1.00 0.00 H new ATOM 767 N LYS A 55 -0.909 -6.999 -12.464 1.00 0.00 N ATOM 768 CA LYS A 55 -1.677 -6.700 -13.703 1.00 0.00 C ATOM 769 C LYS A 55 -3.174 -6.870 -13.440 1.00 0.00 C ATOM 770 O LYS A 55 -4.001 -6.348 -14.162 1.00 0.00 O ATOM 771 CB LYS A 55 -1.247 -7.662 -14.814 1.00 0.00 C ATOM 772 CG LYS A 55 -1.538 -9.103 -14.383 1.00 0.00 C ATOM 773 CD LYS A 55 -2.292 -9.829 -15.500 1.00 0.00 C ATOM 774 CE LYS A 55 -3.061 -11.015 -14.914 1.00 0.00 C ATOM 775 NZ LYS A 55 -2.103 -11.961 -14.272 1.00 0.00 N ATOM 0 H LYS A 55 -0.359 -7.857 -12.491 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.478 -5.673 -14.008 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.781 -7.432 -15.736 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.184 -7.541 -15.023 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.606 -9.623 -14.162 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.130 -9.107 -13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.981 -9.143 -15.992 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.591 -10.176 -16.259 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.788 -10.664 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.620 -11.524 -15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.576 -12.872 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.286 -12.107 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.778 -11.565 -13.367 1.00 0.00 H new ATOM 789 N GLN A 56 -3.536 -7.598 -12.420 1.00 0.00 N ATOM 790 CA GLN A 56 -4.983 -7.798 -12.129 1.00 0.00 C ATOM 791 C GLN A 56 -5.508 -6.636 -11.286 1.00 0.00 C ATOM 792 O GLN A 56 -6.588 -6.134 -11.513 1.00 0.00 O ATOM 793 CB GLN A 56 -5.180 -9.112 -11.367 1.00 0.00 C ATOM 794 CG GLN A 56 -6.672 -9.331 -11.106 1.00 0.00 C ATOM 795 CD GLN A 56 -7.058 -10.759 -11.496 1.00 0.00 C ATOM 796 OE1 GLN A 56 -7.679 -10.976 -12.518 1.00 0.00 O ATOM 797 NE2 GLN A 56 -6.715 -11.751 -10.719 1.00 0.00 N ATOM 0 H GLN A 56 -2.894 -8.062 -11.777 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.533 -7.838 -13.069 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.775 -9.944 -11.944 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.635 -9.083 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.896 -9.158 -10.054 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.261 -8.615 -11.680 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.194 -11.570 -9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.968 -12.707 -10.970 1.00 0.00 H new ATOM 806 N VAL A 57 -4.753 -6.198 -10.319 1.00 0.00 N ATOM 807 CA VAL A 57 -5.218 -5.064 -9.472 1.00 0.00 C ATOM 808 C VAL A 57 -5.063 -3.748 -10.233 1.00 0.00 C ATOM 809 O VAL A 57 -5.420 -2.697 -9.742 1.00 0.00 O ATOM 810 CB VAL A 57 -4.390 -5.006 -8.190 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.527 -6.335 -7.451 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.916 -4.756 -8.538 1.00 0.00 C ATOM 0 H VAL A 57 -3.836 -6.574 -10.078 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.268 -5.216 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.747 -4.194 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.939 -6.304 -6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.575 -6.508 -7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.165 -7.144 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.328 -4.715 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.549 -5.565 -9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.823 -3.810 -9.071 1.00 0.00 H new ATOM 822 N ILE A 58 -4.533 -3.788 -11.426 1.00 0.00 N ATOM 823 CA ILE A 58 -4.370 -2.533 -12.195 1.00 0.00 C ATOM 824 C ILE A 58 -5.757 -2.042 -12.620 1.00 0.00 C ATOM 825 O ILE A 58 -6.508 -2.740 -13.270 1.00 0.00 O ATOM 826 CB ILE A 58 -3.436 -2.800 -13.398 1.00 0.00 C ATOM 827 CG1 ILE A 58 -2.069 -2.208 -13.071 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.953 -2.160 -14.697 1.00 0.00 C ATOM 829 CD1 ILE A 58 -1.040 -2.686 -14.097 1.00 0.00 C ATOM 0 H ILE A 58 -4.209 -4.634 -11.895 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.909 -1.749 -11.594 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.388 -3.877 -13.561 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.123 -1.119 -13.076 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.763 -2.507 -12.069 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.261 -2.377 -15.510 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.935 -2.567 -14.938 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.030 -1.081 -14.565 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.065 -2.261 -13.860 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.978 -3.774 -14.070 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.343 -2.364 -15.093 1.00 0.00 H new ATOM 841 N GLY A 59 -6.096 -0.849 -12.236 1.00 0.00 N ATOM 842 CA GLY A 59 -7.436 -0.303 -12.592 1.00 0.00 C ATOM 843 C GLY A 59 -8.449 -0.685 -11.505 1.00 0.00 C ATOM 844 O GLY A 59 -9.539 -0.149 -11.446 1.00 0.00 O ATOM 0 H GLY A 59 -5.504 -0.224 -11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.384 0.781 -12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.756 -0.696 -13.557 1.00 0.00 H new ATOM 848 N LYS A 60 -8.102 -1.606 -10.642 1.00 0.00 N ATOM 849 CA LYS A 60 -9.047 -2.016 -9.565 1.00 0.00 C ATOM 850 C LYS A 60 -9.001 -0.995 -8.429 1.00 0.00 C ATOM 851 O LYS A 60 -7.945 -0.546 -8.027 1.00 0.00 O ATOM 852 CB LYS A 60 -8.637 -3.388 -9.016 1.00 0.00 C ATOM 853 CG LYS A 60 -8.467 -4.378 -10.170 1.00 0.00 C ATOM 854 CD LYS A 60 -9.785 -4.498 -10.939 1.00 0.00 C ATOM 855 CE LYS A 60 -9.657 -5.589 -12.002 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.349 -6.824 -11.535 1.00 0.00 N ATOM 0 H LYS A 60 -7.204 -2.091 -10.638 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.056 -2.069 -9.975 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.705 -3.303 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.393 -3.752 -8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.674 -4.042 -10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.168 -5.353 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.598 -4.737 -10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.033 -3.546 -11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.093 -5.249 -12.941 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.605 -5.800 -12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.261 -7.566 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.914 -7.152 -10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.355 -6.617 -11.371 1.00 0.00 H new ATOM 870 N ASN A 61 -10.135 -0.636 -7.897 1.00 0.00 N ATOM 871 CA ASN A 61 -10.152 0.340 -6.775 1.00 0.00 C ATOM 872 C ASN A 61 -9.759 -0.398 -5.496 1.00 0.00 C ATOM 873 O ASN A 61 -10.576 -1.027 -4.854 1.00 0.00 O ATOM 874 CB ASN A 61 -11.559 0.925 -6.628 1.00 0.00 C ATOM 875 CG ASN A 61 -11.520 2.427 -6.913 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.907 3.224 -6.081 1.00 0.00 O ATOM 877 ND2 ASN A 61 -11.070 2.850 -8.063 1.00 0.00 N ATOM 0 H ASN A 61 -11.050 -0.977 -8.191 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.453 1.154 -6.967 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.243 0.431 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.936 0.745 -5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.043 3.850 -8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.745 2.181 -8.761 1.00 0.00 H new ATOM 884 N PHE A 62 -8.510 -0.340 -5.129 1.00 0.00 N ATOM 885 CA PHE A 62 -8.055 -1.056 -3.900 1.00 0.00 C ATOM 886 C PHE A 62 -8.884 -0.606 -2.698 1.00 0.00 C ATOM 887 O PHE A 62 -8.981 -1.302 -1.706 1.00 0.00 O ATOM 888 CB PHE A 62 -6.571 -0.733 -3.652 1.00 0.00 C ATOM 889 CG PHE A 62 -6.204 -0.975 -2.199 1.00 0.00 C ATOM 890 CD1 PHE A 62 -6.165 -2.278 -1.697 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.913 0.109 -1.361 1.00 0.00 C ATOM 892 CE1 PHE A 62 -5.828 -2.502 -0.357 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.573 -0.115 -0.022 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.526 -1.421 0.479 1.00 0.00 C ATOM 0 H PHE A 62 -7.782 0.172 -5.626 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.183 -2.130 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.947 -1.351 -4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.371 0.306 -3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.395 -3.113 -2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.951 1.117 -1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.801 -3.509 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.347 0.720 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.257 -1.595 1.510 1.00 0.00 H new ATOM 904 N PHE A 63 -9.433 0.559 -2.759 1.00 0.00 N ATOM 905 CA PHE A 63 -10.202 1.060 -1.591 1.00 0.00 C ATOM 906 C PHE A 63 -11.625 0.492 -1.594 1.00 0.00 C ATOM 907 O PHE A 63 -12.211 0.266 -0.555 1.00 0.00 O ATOM 908 CB PHE A 63 -10.250 2.586 -1.631 1.00 0.00 C ATOM 909 CG PHE A 63 -9.035 3.132 -0.919 1.00 0.00 C ATOM 910 CD1 PHE A 63 -8.873 2.913 0.453 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.070 3.852 -1.633 1.00 0.00 C ATOM 912 CE1 PHE A 63 -7.746 3.416 1.113 1.00 0.00 C ATOM 913 CE2 PHE A 63 -6.944 4.355 -0.971 1.00 0.00 C ATOM 914 CZ PHE A 63 -6.782 4.137 0.402 1.00 0.00 C ATOM 0 H PHE A 63 -9.388 1.189 -3.560 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.706 0.733 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.271 2.936 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.161 2.947 -1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.617 2.356 1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.194 4.019 -2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.621 3.247 2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.199 4.912 -1.520 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.913 4.526 0.912 1.00 0.00 H new ATOM 924 N LYS A 64 -12.187 0.256 -2.748 1.00 0.00 N ATOM 925 CA LYS A 64 -13.570 -0.299 -2.802 1.00 0.00 C ATOM 926 C LYS A 64 -13.693 -1.219 -4.016 1.00 0.00 C ATOM 927 O LYS A 64 -14.622 -1.120 -4.792 1.00 0.00 O ATOM 928 CB LYS A 64 -14.579 0.844 -2.920 1.00 0.00 C ATOM 929 CG LYS A 64 -14.273 1.668 -4.172 1.00 0.00 C ATOM 930 CD LYS A 64 -15.584 2.138 -4.805 1.00 0.00 C ATOM 931 CE LYS A 64 -16.186 3.262 -3.958 1.00 0.00 C ATOM 932 NZ LYS A 64 -17.485 2.811 -3.381 1.00 0.00 N ATOM 0 H LYS A 64 -11.750 0.423 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.774 -0.863 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.592 0.445 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.532 1.478 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.653 2.526 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.706 1.069 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.404 2.490 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.285 1.306 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.498 3.538 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.337 4.151 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.893 3.575 -2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.141 2.569 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.328 1.974 -2.784 1.00 0.00 H new ATOM 946 N ASP A 65 -12.758 -2.109 -4.183 1.00 0.00 N ATOM 947 CA ASP A 65 -12.808 -3.037 -5.349 1.00 0.00 C ATOM 948 C ASP A 65 -11.867 -4.220 -5.113 1.00 0.00 C ATOM 949 O ASP A 65 -12.162 -5.340 -5.484 1.00 0.00 O ATOM 950 CB ASP A 65 -12.382 -2.291 -6.612 1.00 0.00 C ATOM 951 CG ASP A 65 -13.050 -2.927 -7.831 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.017 -4.142 -7.933 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.584 -2.189 -8.641 1.00 0.00 O ATOM 0 H ASP A 65 -11.959 -2.236 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.826 -3.407 -5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.662 -1.240 -6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.298 -2.325 -6.719 1.00 0.00 H new ATOM 958 N VAL A 66 -10.739 -3.993 -4.491 1.00 0.00 N ATOM 959 CA VAL A 66 -9.802 -5.109 -4.230 1.00 0.00 C ATOM 960 C VAL A 66 -9.922 -5.501 -2.781 1.00 0.00 C ATOM 961 O VAL A 66 -10.158 -6.637 -2.425 1.00 0.00 O ATOM 962 CB VAL A 66 -8.368 -4.642 -4.413 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.455 -5.858 -4.418 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.210 -3.858 -5.708 1.00 0.00 C ATOM 0 H VAL A 66 -10.432 -3.080 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.038 -5.927 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.099 -3.979 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.422 -5.537 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.553 -6.390 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.735 -6.520 -5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.174 -3.536 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.481 -4.492 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.861 -2.984 -5.686 1.00 0.00 H new ATOM 974 N ALA A 67 -9.706 -4.536 -1.952 1.00 0.00 N ATOM 975 CA ALA A 67 -9.741 -4.750 -0.501 1.00 0.00 C ATOM 976 C ALA A 67 -11.057 -4.194 0.059 1.00 0.00 C ATOM 977 O ALA A 67 -11.184 -3.000 0.237 1.00 0.00 O ATOM 978 CB ALA A 67 -8.560 -3.988 0.085 1.00 0.00 C ATOM 0 H ALA A 67 -9.500 -3.577 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.680 -5.809 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.544 -4.118 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.632 -4.371 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.657 -2.928 -0.152 1.00 0.00 H new ATOM 984 N PRO A 68 -12.006 -5.068 0.328 1.00 0.00 N ATOM 985 CA PRO A 68 -13.311 -4.652 0.870 1.00 0.00 C ATOM 986 C PRO A 68 -13.189 -4.310 2.359 1.00 0.00 C ATOM 987 O PRO A 68 -14.165 -4.004 3.015 1.00 0.00 O ATOM 988 CB PRO A 68 -14.199 -5.881 0.662 1.00 0.00 C ATOM 989 CG PRO A 68 -13.247 -7.094 0.548 1.00 0.00 C ATOM 990 CD PRO A 68 -11.873 -6.533 0.134 1.00 0.00 C ATOM 0 HA PRO A 68 -13.709 -3.760 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.890 -6.007 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.803 -5.776 -0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.179 -7.625 1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.614 -7.807 -0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.073 -6.945 0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.638 -6.778 -0.902 1.00 0.00 H new ATOM 998 N CYS A 69 -12.001 -4.366 2.901 1.00 0.00 N ATOM 999 CA CYS A 69 -11.823 -4.054 4.337 1.00 0.00 C ATOM 1000 C CYS A 69 -11.144 -2.683 4.493 1.00 0.00 C ATOM 1001 O CYS A 69 -11.224 -2.054 5.529 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.955 -5.162 4.964 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.205 -4.936 4.517 1.00 0.00 S ATOM 0 H CYS A 69 -11.147 -4.616 2.403 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.789 -4.012 4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.064 -5.147 6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.300 -6.138 4.623 1.00 0.00 H new ATOM 1008 N THR A 70 -10.460 -2.228 3.473 1.00 0.00 N ATOM 1009 CA THR A 70 -9.759 -0.917 3.572 1.00 0.00 C ATOM 1010 C THR A 70 -10.740 0.232 3.311 1.00 0.00 C ATOM 1011 O THR A 70 -10.363 1.388 3.314 1.00 0.00 O ATOM 1012 CB THR A 70 -8.620 -0.881 2.547 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.073 -1.423 1.314 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.447 -1.714 3.064 1.00 0.00 C ATOM 0 H THR A 70 -10.358 -2.709 2.579 1.00 0.00 H new ATOM 0 HA THR A 70 -9.352 -0.798 4.576 1.00 0.00 H new ATOM 0 HB THR A 70 -8.300 0.150 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.619 -0.972 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.635 -1.690 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.098 -1.302 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.770 -2.744 3.213 1.00 0.00 H new ATOM 1022 N ASP A 71 -11.995 -0.065 3.102 1.00 0.00 N ATOM 1023 CA ASP A 71 -12.983 1.024 2.863 1.00 0.00 C ATOM 1024 C ASP A 71 -13.675 1.364 4.184 1.00 0.00 C ATOM 1025 O ASP A 71 -14.883 1.298 4.301 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.024 0.561 1.841 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.596 1.774 1.106 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -13.915 2.785 1.052 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.706 1.671 0.609 1.00 0.00 O ATOM 0 H ASP A 71 -12.376 -1.011 3.087 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.473 1.906 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.568 -0.127 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.824 0.017 2.343 1.00 0.00 H new ATOM 1034 N SER A 72 -12.914 1.722 5.181 1.00 0.00 N ATOM 1035 CA SER A 72 -13.517 2.059 6.500 1.00 0.00 C ATOM 1036 C SER A 72 -12.797 3.281 7.097 1.00 0.00 C ATOM 1037 O SER A 72 -11.832 3.756 6.522 1.00 0.00 O ATOM 1038 CB SER A 72 -13.364 0.863 7.442 1.00 0.00 C ATOM 1039 OG SER A 72 -14.650 0.432 7.865 1.00 0.00 O ATOM 0 H SER A 72 -11.898 1.796 5.138 1.00 0.00 H new ATOM 0 HA SER A 72 -14.574 2.291 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.844 0.050 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.758 1.140 8.305 1.00 0.00 H new ATOM 0 HG SER A 72 -14.556 -0.335 8.467 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.285 3.756 8.232 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.699 4.925 8.921 1.00 0.00 C ATOM 1047 C PRO A 73 -11.419 4.522 9.660 1.00 0.00 C ATOM 1048 O PRO A 73 -11.404 4.353 10.864 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.792 5.355 9.905 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.687 4.114 10.133 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.456 3.176 8.935 1.00 0.00 C ATOM 0 HA PRO A 73 -12.415 5.726 8.239 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.357 5.698 10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.373 6.184 9.502 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.429 3.618 11.069 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.736 4.401 10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.258 2.155 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.331 3.138 8.286 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.352 4.368 8.934 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.052 3.970 9.541 1.00 0.00 C ATOM 1061 C GLU A 74 -8.078 3.747 8.397 1.00 0.00 C ATOM 1062 O GLU A 74 -6.920 4.110 8.454 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.220 2.664 10.315 1.00 0.00 C ATOM 1064 CG GLU A 74 -8.363 2.704 11.582 1.00 0.00 C ATOM 1065 CD GLU A 74 -8.256 1.296 12.171 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -9.219 0.556 12.065 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -7.212 0.982 12.718 1.00 0.00 O ATOM 0 H GLU A 74 -10.324 4.504 7.923 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.694 4.739 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.268 2.517 10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.926 1.820 9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.370 3.089 11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.805 3.382 12.312 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.569 3.166 7.344 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.727 2.921 6.152 1.00 0.00 C ATOM 1076 C PHE A 75 -8.105 3.971 5.107 1.00 0.00 C ATOM 1077 O PHE A 75 -7.354 4.890 4.824 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.006 1.512 5.619 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.724 0.905 5.113 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.241 1.268 3.858 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.016 -0.013 5.898 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.051 0.722 3.378 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -4.820 -0.563 5.418 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.337 -0.194 4.156 1.00 0.00 C ATOM 0 H PHE A 75 -9.534 2.846 7.260 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.666 2.993 6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.429 0.890 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.743 1.554 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.790 1.975 3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.391 -0.296 6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.681 1.007 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.271 -1.271 6.021 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.415 -0.616 3.785 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.290 3.880 4.567 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.721 4.905 3.583 1.00 0.00 C ATOM 1096 C TYR A 76 -10.058 6.184 4.350 1.00 0.00 C ATOM 1097 O TYR A 76 -10.092 7.254 3.792 1.00 0.00 O ATOM 1098 CB TYR A 76 -10.955 4.423 2.817 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.227 5.361 1.659 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.192 5.713 0.781 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.513 5.874 1.462 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.443 6.579 -0.292 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.766 6.741 0.391 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.731 7.094 -0.486 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.982 7.947 -1.542 1.00 0.00 O ATOM 0 H TYR A 76 -9.971 3.146 4.764 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.923 5.088 2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.795 3.410 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.818 4.388 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.199 5.316 0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.312 5.602 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.645 6.849 -0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.759 7.138 0.241 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.926 8.211 -1.532 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.298 6.076 5.636 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.612 7.283 6.453 1.00 0.00 C ATOM 1117 C GLY A 77 -9.421 8.234 6.435 1.00 0.00 C ATOM 1118 O GLY A 77 -9.511 9.354 5.973 1.00 0.00 O ATOM 0 H GLY A 77 -10.289 5.197 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.496 7.783 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.843 6.992 7.478 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.304 7.794 6.945 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.099 8.671 6.968 1.00 0.00 C ATOM 1124 C LYS A 78 -6.693 9.014 5.545 1.00 0.00 C ATOM 1125 O LYS A 78 -5.980 9.959 5.307 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.961 7.956 7.706 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.507 7.247 8.961 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.638 8.072 9.602 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.600 7.924 11.122 1.00 0.00 C ATOM 1130 NZ LYS A 78 -7.392 9.263 11.744 1.00 0.00 N ATOM 0 H LYS A 78 -8.173 6.866 7.347 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.324 9.598 7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.488 7.230 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.193 8.675 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.878 6.258 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.702 7.102 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.533 9.122 9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.603 7.738 9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.532 7.485 11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.797 7.247 11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.366 9.165 12.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.492 9.664 11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.173 9.895 11.476 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.156 8.261 4.597 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.831 8.554 3.189 1.00 0.00 C ATOM 1146 C PHE A 79 -7.679 9.735 2.735 1.00 0.00 C ATOM 1147 O PHE A 79 -7.223 10.593 2.024 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.161 7.319 2.363 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.029 7.593 0.882 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.026 8.319 0.214 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.932 7.095 0.165 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.925 8.540 -1.164 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.837 7.321 -1.206 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.831 8.036 -1.871 1.00 0.00 C ATOM 0 H PHE A 79 -7.752 7.446 4.742 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.777 8.803 3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.495 6.503 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.177 6.992 2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.871 8.707 0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.161 6.537 0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.692 9.099 -1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.989 6.940 -1.756 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.755 8.201 -2.936 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.904 9.797 3.165 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.765 10.930 2.785 1.00 0.00 C ATOM 1166 C LYS A 80 -9.397 12.137 3.646 1.00 0.00 C ATOM 1167 O LYS A 80 -9.891 13.230 3.450 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.225 10.563 3.028 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.907 10.250 1.693 1.00 0.00 C ATOM 1170 CD LYS A 80 -12.984 11.299 1.412 1.00 0.00 C ATOM 1171 CE LYS A 80 -12.962 11.669 -0.074 1.00 0.00 C ATOM 1172 NZ LYS A 80 -11.787 12.547 -0.356 1.00 0.00 N ATOM 0 H LYS A 80 -9.344 9.102 3.768 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.623 11.166 1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.288 9.700 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.739 11.385 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.171 10.245 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.352 9.256 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.965 10.911 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.810 12.186 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.908 10.766 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.885 12.182 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.915 13.013 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.706 13.268 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.921 11.972 -0.377 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.521 11.948 4.597 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.111 13.082 5.468 1.00 0.00 C ATOM 1188 C GLU A 81 -6.833 13.677 4.895 1.00 0.00 C ATOM 1189 O GLU A 81 -6.665 14.877 4.809 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.852 12.574 6.887 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.063 11.771 7.369 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.862 12.606 8.371 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.747 13.326 7.939 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -9.576 12.512 9.553 1.00 0.00 O ATOM 0 H GLU A 81 -8.073 11.056 4.806 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.897 13.836 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.958 11.950 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.668 13.413 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.693 11.499 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.735 10.841 7.834 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.943 12.828 4.477 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.670 13.307 3.874 1.00 0.00 C ATOM 1203 C GLY A 82 -4.987 13.917 2.512 1.00 0.00 C ATOM 1204 O GLY A 82 -4.450 14.936 2.131 1.00 0.00 O ATOM 0 H GLY A 82 -6.042 11.814 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.198 14.046 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.966 12.482 3.766 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.865 13.290 1.781 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.245 13.817 0.435 1.00 0.00 C ATOM 1210 C VAL A 83 -6.869 15.213 0.576 1.00 0.00 C ATOM 1211 O VAL A 83 -6.638 16.091 -0.232 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.279 12.882 -0.203 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.703 13.433 -1.567 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.676 11.489 -0.388 1.00 0.00 C ATOM 0 H VAL A 83 -6.340 12.430 2.057 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.352 13.875 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.148 12.817 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.438 12.765 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.142 14.422 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.831 13.504 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.416 10.830 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.802 11.554 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.380 11.089 0.582 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.684 15.412 1.578 1.00 0.00 N ATOM 1225 CA ALA A 84 -8.352 16.736 1.755 1.00 0.00 C ATOM 1226 C ALA A 84 -7.410 17.743 2.423 1.00 0.00 C ATOM 1227 O ALA A 84 -7.597 18.939 2.316 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.595 16.556 2.628 1.00 0.00 C ATOM 0 H ALA A 84 -7.917 14.713 2.284 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.628 17.120 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.088 17.519 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.281 15.861 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.302 16.160 3.600 1.00 0.00 H new ATOM 1234 N SER A 85 -6.411 17.283 3.124 1.00 0.00 N ATOM 1235 CA SER A 85 -5.484 18.235 3.802 1.00 0.00 C ATOM 1236 C SER A 85 -4.260 18.512 2.922 1.00 0.00 C ATOM 1237 O SER A 85 -3.490 19.414 3.189 1.00 0.00 O ATOM 1238 CB SER A 85 -5.026 17.636 5.131 1.00 0.00 C ATOM 1239 OG SER A 85 -5.698 18.293 6.197 1.00 0.00 O ATOM 0 H SER A 85 -6.196 16.295 3.257 1.00 0.00 H new ATOM 0 HA SER A 85 -6.011 19.173 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.240 16.567 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.947 17.748 5.241 1.00 0.00 H new ATOM 0 HG SER A 85 -5.408 17.910 7.051 1.00 0.00 H new ATOM 1245 N GLY A 86 -4.065 17.747 1.884 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.883 17.976 1.007 1.00 0.00 C ATOM 1247 C GLY A 86 -1.638 17.357 1.656 1.00 0.00 C ATOM 1248 O GLY A 86 -0.521 17.635 1.267 1.00 0.00 O ATOM 0 H GLY A 86 -4.671 16.975 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.053 17.533 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.733 19.044 0.853 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.823 16.518 2.643 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.659 15.877 3.316 1.00 0.00 C ATOM 1254 C ASN A 87 -1.093 14.508 3.843 1.00 0.00 C ATOM 1255 O ASN A 87 -1.741 14.402 4.866 1.00 0.00 O ATOM 1256 CB ASN A 87 -0.195 16.752 4.484 1.00 0.00 C ATOM 1257 CG ASN A 87 0.649 17.911 3.953 1.00 0.00 C ATOM 1258 OD1 ASN A 87 0.212 19.045 3.951 1.00 0.00 O ATOM 1259 ND2 ASN A 87 1.850 17.674 3.503 1.00 0.00 N ATOM 0 H ASN A 87 -2.735 16.250 3.012 1.00 0.00 H new ATOM 0 HA ASN A 87 0.163 15.762 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.057 17.137 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.387 16.158 5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.423 18.440 3.149 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.217 16.722 3.505 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.757 13.460 3.144 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.168 12.102 3.598 1.00 0.00 C ATOM 1268 C LEU A 88 -0.021 11.431 4.354 1.00 0.00 C ATOM 1269 O LEU A 88 1.035 11.181 3.809 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.544 11.253 2.384 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.733 10.364 2.739 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.815 10.508 1.669 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.278 8.904 2.810 1.00 0.00 C ATOM 0 H LEU A 88 -0.216 13.485 2.279 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.027 12.193 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.795 11.896 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.696 10.641 2.077 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.135 10.666 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.664 9.873 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.141 11.547 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.413 10.207 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.128 8.270 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.875 8.601 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.507 8.800 3.573 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.228 11.135 5.606 1.00 0.00 N ATOM 1286 CA ASN A 89 0.840 10.472 6.409 1.00 0.00 C ATOM 1287 C ASN A 89 0.207 9.813 7.639 1.00 0.00 C ATOM 1288 O ASN A 89 0.306 10.312 8.742 1.00 0.00 O ATOM 1289 CB ASN A 89 1.890 11.504 6.861 1.00 0.00 C ATOM 1290 CG ASN A 89 1.255 12.891 7.028 1.00 0.00 C ATOM 1291 OD1 ASN A 89 1.827 13.884 6.622 1.00 0.00 O ATOM 1292 ND2 ASN A 89 0.089 13.005 7.606 1.00 0.00 N ATOM 0 H ASN A 89 -1.094 11.324 6.111 1.00 0.00 H new ATOM 0 HA ASN A 89 1.333 9.718 5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.335 11.187 7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.696 11.554 6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.338 13.925 7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -0.394 12.174 7.948 1.00 0.00 H new ATOM 1299 N THR A 90 -0.454 8.698 7.460 1.00 0.00 N ATOM 1300 CA THR A 90 -1.099 8.026 8.623 1.00 0.00 C ATOM 1301 C THR A 90 -0.466 6.654 8.868 1.00 0.00 C ATOM 1302 O THR A 90 -0.317 5.853 7.967 1.00 0.00 O ATOM 1303 CB THR A 90 -2.594 7.849 8.339 1.00 0.00 C ATOM 1304 OG1 THR A 90 -3.222 7.266 9.472 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.786 6.938 7.124 1.00 0.00 C ATOM 0 H THR A 90 -0.574 8.227 6.563 1.00 0.00 H new ATOM 0 HA THR A 90 -0.957 8.643 9.510 1.00 0.00 H new ATOM 0 HB THR A 90 -3.040 8.822 8.132 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.632 6.413 9.216 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.851 6.815 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.304 7.385 6.254 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.340 5.964 7.325 1.00 0.00 H new ATOM 1313 N MET A 91 -0.114 6.375 10.094 1.00 0.00 N ATOM 1314 CA MET A 91 0.488 5.053 10.429 1.00 0.00 C ATOM 1315 C MET A 91 -0.432 4.351 11.425 1.00 0.00 C ATOM 1316 O MET A 91 -0.787 4.903 12.447 1.00 0.00 O ATOM 1317 CB MET A 91 1.865 5.262 11.059 1.00 0.00 C ATOM 1318 CG MET A 91 2.624 3.935 11.073 1.00 0.00 C ATOM 1319 SD MET A 91 4.244 4.175 11.843 1.00 0.00 S ATOM 1320 CE MET A 91 4.231 2.690 12.875 1.00 0.00 C ATOM 0 H MET A 91 -0.219 7.012 10.884 1.00 0.00 H new ATOM 0 HA MET A 91 0.601 4.449 9.529 1.00 0.00 H new ATOM 0 HB2 MET A 91 2.425 6.008 10.496 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.758 5.643 12.075 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.056 3.185 11.623 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.744 3.562 10.056 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.157 2.637 13.448 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.383 2.729 13.558 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.146 1.807 12.241 1.00 0.00 H new ATOM 1330 N PHE A 92 -0.840 3.149 11.132 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.756 2.441 12.064 1.00 0.00 C ATOM 1332 C PHE A 92 -1.571 0.937 11.935 1.00 0.00 C ATOM 1333 O PHE A 92 -0.683 0.460 11.260 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.210 2.812 11.734 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.531 2.504 10.280 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -2.871 3.187 9.247 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.510 1.550 9.966 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -3.185 2.913 7.912 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.826 1.283 8.628 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.164 1.963 7.601 1.00 0.00 C ATOM 0 H PHE A 92 -0.581 2.630 10.293 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.526 2.740 13.087 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.887 2.260 12.385 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.373 3.872 11.930 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.119 3.926 9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.021 1.021 10.757 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.671 3.436 7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.583 0.550 8.389 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.408 1.755 6.570 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.413 0.188 12.582 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.314 -1.291 12.505 1.00 0.00 C ATOM 1352 C GLU A 93 -3.635 -1.831 11.970 1.00 0.00 C ATOM 1353 O GLU A 93 -4.678 -1.659 12.569 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.035 -1.871 13.896 1.00 0.00 C ATOM 1355 CG GLU A 93 -3.193 -1.532 14.840 1.00 0.00 C ATOM 1356 CD GLU A 93 -2.780 -1.812 16.288 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.618 -2.108 16.510 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -3.638 -1.726 17.152 1.00 0.00 O ATOM 0 H GLU A 93 -3.172 0.540 13.166 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.497 -1.578 11.843 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.911 -2.952 13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.103 -1.466 14.289 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.471 -0.484 14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.071 -2.124 14.581 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.608 -2.464 10.837 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.868 -2.994 10.260 1.00 0.00 C ATOM 1367 C TYR A 94 -4.698 -4.479 9.947 1.00 0.00 C ATOM 1368 O TYR A 94 -3.598 -4.991 9.900 1.00 0.00 O ATOM 1369 CB TYR A 94 -5.197 -2.212 8.988 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.674 -2.310 8.707 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -7.557 -1.388 9.282 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.161 -3.319 7.871 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.928 -1.476 9.021 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.532 -3.409 7.610 1.00 0.00 C ATOM 1375 CZ TYR A 94 -9.418 -2.487 8.185 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.772 -2.579 7.925 1.00 0.00 O ATOM 0 H TYR A 94 -2.768 -2.638 10.285 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.686 -2.880 10.971 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.907 -1.168 9.105 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.629 -2.609 8.147 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.179 -0.609 9.927 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.479 -4.029 7.427 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.609 -0.764 9.464 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.908 -4.189 6.965 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.909 -2.847 6.992 1.00 0.00 H new ATOM 1386 N THR A 95 -5.776 -5.180 9.745 1.00 0.00 N ATOM 1387 CA THR A 95 -5.674 -6.636 9.452 1.00 0.00 C ATOM 1388 C THR A 95 -6.536 -6.983 8.238 1.00 0.00 C ATOM 1389 O THR A 95 -7.737 -6.800 8.242 1.00 0.00 O ATOM 1390 CB THR A 95 -6.162 -7.435 10.664 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.330 -7.151 11.781 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.108 -8.932 10.350 1.00 0.00 C ATOM 0 H THR A 95 -6.725 -4.808 9.770 1.00 0.00 H new ATOM 0 HA THR A 95 -4.635 -6.887 9.240 1.00 0.00 H new ATOM 0 HB THR A 95 -7.190 -7.154 10.895 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.641 -7.660 12.559 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.456 -9.498 11.214 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.747 -9.148 9.494 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.082 -9.218 10.118 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.931 -7.496 7.206 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.714 -7.870 5.996 1.00 0.00 C ATOM 1402 C PHE A 96 -7.135 -9.333 6.108 1.00 0.00 C ATOM 1403 O PHE A 96 -6.316 -10.212 6.290 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.858 -7.687 4.741 1.00 0.00 C ATOM 1405 CG PHE A 96 -5.132 -6.367 4.808 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.799 -5.217 5.251 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.792 -6.293 4.422 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.121 -3.995 5.309 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.115 -5.073 4.481 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.778 -3.923 4.923 1.00 0.00 C ATOM 0 H PHE A 96 -4.928 -7.673 7.147 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.594 -7.231 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.141 -8.503 4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.487 -7.722 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.836 -5.274 5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.279 -7.179 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.633 -3.108 5.651 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.078 -5.017 4.185 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.253 -2.980 4.966 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.403 -9.603 6.001 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.871 -11.009 6.103 1.00 0.00 C ATOM 1422 C ASP A 97 -10.044 -11.225 5.155 1.00 0.00 C ATOM 1423 O ASP A 97 -11.046 -11.813 5.511 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.306 -11.300 7.540 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.260 -10.203 8.020 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -11.302 -10.044 7.408 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -9.932 -9.541 8.991 1.00 0.00 O ATOM 0 H ASP A 97 -9.136 -8.910 5.847 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.060 -11.684 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.797 -12.272 7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -8.434 -11.348 8.192 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.920 -10.776 3.938 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.018 -10.984 2.961 1.00 0.00 C ATOM 1434 C TYR A 98 -10.927 -12.427 2.480 1.00 0.00 C ATOM 1435 O TYR A 98 -9.838 -12.925 2.313 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.845 -10.022 1.771 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.510 -10.267 1.088 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -9.322 -11.412 0.304 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.461 -9.352 1.244 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -8.094 -11.647 -0.317 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.226 -9.585 0.615 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.045 -10.734 -0.164 1.00 0.00 C ATOM 1443 OH TYR A 98 -5.833 -10.969 -0.780 1.00 0.00 O ATOM 0 H TYR A 98 -9.107 -10.275 3.580 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.988 -10.790 3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.658 -10.163 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.901 -8.990 2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.131 -12.117 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.601 -8.467 1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.954 -12.535 -0.916 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.418 -8.879 0.732 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.728 -11.930 -0.939 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.059 -13.090 2.281 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.105 -14.536 1.812 1.00 0.00 C ATOM 1455 C GLN A 99 -10.702 -15.150 1.688 1.00 0.00 C ATOM 1456 O GLN A 99 -10.240 -15.461 0.609 1.00 0.00 O ATOM 1457 CB GLN A 99 -12.793 -14.593 0.447 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.148 -13.571 -0.491 1.00 0.00 C ATOM 1459 CD GLN A 99 -12.667 -13.782 -1.913 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -12.388 -14.790 -2.532 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -13.419 -12.867 -2.461 1.00 0.00 N ATOM 0 H GLN A 99 -12.980 -12.678 2.428 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.657 -15.111 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.707 -15.595 0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.857 -14.383 0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.377 -12.559 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.063 -13.676 -0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.653 -12.021 -1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.773 -12.998 -3.409 1.00 0.00 H new ATOM 1470 N MET A 100 -10.014 -15.280 2.788 1.00 0.00 N ATOM 1471 CA MET A 100 -8.629 -15.820 2.745 1.00 0.00 C ATOM 1472 C MET A 100 -8.061 -15.858 4.167 1.00 0.00 C ATOM 1473 O MET A 100 -8.681 -15.400 5.106 1.00 0.00 O ATOM 1474 CB MET A 100 -7.761 -14.890 1.884 1.00 0.00 C ATOM 1475 CG MET A 100 -6.877 -15.721 0.951 1.00 0.00 C ATOM 1476 SD MET A 100 -5.159 -15.657 1.524 1.00 0.00 S ATOM 1477 CE MET A 100 -4.876 -13.895 1.220 1.00 0.00 C ATOM 0 H MET A 100 -10.354 -15.034 3.718 1.00 0.00 H new ATOM 0 HA MET A 100 -8.634 -16.825 2.323 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.395 -14.223 1.300 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.141 -14.262 2.523 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.225 -16.754 0.928 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.946 -15.339 -0.067 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.023 -13.773 0.552 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.762 -13.458 0.760 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.672 -13.391 2.165 1.00 0.00 H new ATOM 1487 N THR A 101 -6.881 -16.390 4.332 1.00 0.00 N ATOM 1488 CA THR A 101 -6.270 -16.442 5.692 1.00 0.00 C ATOM 1489 C THR A 101 -6.167 -15.014 6.250 1.00 0.00 C ATOM 1490 O THR A 101 -6.044 -14.073 5.491 1.00 0.00 O ATOM 1491 CB THR A 101 -4.865 -17.058 5.596 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.138 -16.773 6.782 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.123 -16.470 4.395 1.00 0.00 C ATOM 0 H THR A 101 -6.313 -16.791 3.585 1.00 0.00 H new ATOM 0 HA THR A 101 -6.888 -17.051 6.352 1.00 0.00 H new ATOM 0 HB THR A 101 -4.956 -18.137 5.473 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.020 -17.597 7.299 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.128 -16.910 4.331 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.676 -16.690 3.482 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.036 -15.390 4.514 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.215 -14.882 7.561 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.123 -13.565 8.216 1.00 0.00 C ATOM 1503 C PRO A 102 -4.683 -13.055 8.163 1.00 0.00 C ATOM 1504 O PRO A 102 -3.742 -13.820 8.230 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.569 -13.838 9.655 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.360 -15.351 9.895 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.357 -16.016 8.505 1.00 0.00 C ATOM 0 HA PRO A 102 -6.733 -12.799 7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.985 -13.248 10.361 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.614 -13.563 9.797 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.420 -15.535 10.416 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.155 -15.759 10.519 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.534 -16.724 8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.278 -16.570 8.326 1.00 0.00 H new ATOM 1515 N THR A 103 -4.499 -11.770 8.024 1.00 0.00 N ATOM 1516 CA THR A 103 -3.115 -11.228 7.948 1.00 0.00 C ATOM 1517 C THR A 103 -3.031 -9.891 8.688 1.00 0.00 C ATOM 1518 O THR A 103 -3.545 -8.892 8.233 1.00 0.00 O ATOM 1519 CB THR A 103 -2.732 -11.035 6.461 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.198 -12.251 5.956 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.686 -9.913 6.289 1.00 0.00 C ATOM 0 H THR A 103 -5.244 -11.076 7.960 1.00 0.00 H new ATOM 0 HA THR A 103 -2.423 -11.927 8.418 1.00 0.00 H new ATOM 0 HB THR A 103 -3.630 -10.753 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.519 -13.000 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.440 -9.804 5.233 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.094 -8.975 6.665 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.785 -10.167 6.847 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.334 -9.850 9.784 1.00 0.00 N ATOM 1530 CA LYS A 104 -2.168 -8.555 10.487 1.00 0.00 C ATOM 1531 C LYS A 104 -1.032 -7.830 9.780 1.00 0.00 C ATOM 1532 O LYS A 104 -0.163 -8.462 9.212 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.790 -8.789 11.953 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.963 -7.487 12.736 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.356 -7.803 14.180 1.00 0.00 C ATOM 1536 CE LYS A 104 -2.998 -6.568 14.816 1.00 0.00 C ATOM 1537 NZ LYS A 104 -1.932 -5.612 15.233 1.00 0.00 N ATOM 0 H LYS A 104 -1.876 -10.650 10.220 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.093 -7.978 10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.418 -9.570 12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.759 -9.134 12.023 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.036 -6.915 12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.728 -6.868 12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.053 -8.641 14.203 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.477 -8.103 14.750 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.673 -6.090 14.106 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.597 -6.860 15.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.368 -4.773 15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.305 -6.071 15.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.378 -5.325 14.401 1.00 0.00 H new ATOM 1551 N VAL A 105 -1.015 -6.527 9.779 1.00 0.00 N ATOM 1552 CA VAL A 105 0.093 -5.831 9.069 1.00 0.00 C ATOM 1553 C VAL A 105 0.361 -4.445 9.644 1.00 0.00 C ATOM 1554 O VAL A 105 -0.534 -3.694 9.981 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.272 -5.670 7.583 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.525 -7.048 6.970 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.536 -4.804 7.428 1.00 0.00 C ATOM 0 H VAL A 105 -1.704 -5.924 10.229 1.00 0.00 H new ATOM 0 HA VAL A 105 0.989 -6.439 9.193 1.00 0.00 H new ATOM 0 HB VAL A 105 0.556 -5.180 7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.784 -6.936 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.375 -7.657 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.346 -7.535 7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.779 -4.701 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.368 -5.279 7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.356 -3.818 7.857 1.00 0.00 H new ATOM 1567 N LYS A 106 1.604 -4.077 9.663 1.00 0.00 N ATOM 1568 CA LYS A 106 1.973 -2.711 10.088 1.00 0.00 C ATOM 1569 C LYS A 106 1.708 -1.902 8.834 1.00 0.00 C ATOM 1570 O LYS A 106 2.203 -2.258 7.802 1.00 0.00 O ATOM 1571 CB LYS A 106 3.466 -2.670 10.424 1.00 0.00 C ATOM 1572 CG LYS A 106 3.676 -2.553 11.927 1.00 0.00 C ATOM 1573 CD LYS A 106 4.186 -3.893 12.464 1.00 0.00 C ATOM 1574 CE LYS A 106 4.345 -3.812 13.985 1.00 0.00 C ATOM 1575 NZ LYS A 106 5.024 -2.534 14.350 1.00 0.00 N ATOM 0 H LYS A 106 2.388 -4.673 9.399 1.00 0.00 H new ATOM 0 HA LYS A 106 1.434 -2.354 10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.952 -3.572 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.934 -1.825 9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.393 -1.762 12.147 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.741 -2.282 12.418 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.489 -4.689 12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.141 -4.141 12.001 1.00 0.00 H new ATOM 0 HE2 LYS A 106 3.369 -3.867 14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.927 -4.660 14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.418 -2.612 15.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 5.792 -2.344 13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 4.336 -1.755 14.320 1.00 0.00 H new ATOM 1589 N VAL A 107 0.900 -0.884 8.851 1.00 0.00 N ATOM 1590 CA VAL A 107 0.627 -0.195 7.553 1.00 0.00 C ATOM 1591 C VAL A 107 1.079 1.257 7.577 1.00 0.00 C ATOM 1592 O VAL A 107 1.108 1.902 8.606 1.00 0.00 O ATOM 1593 CB VAL A 107 -0.872 -0.242 7.259 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.317 -1.679 7.034 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.642 0.343 8.435 1.00 0.00 C ATOM 0 H VAL A 107 0.429 -0.505 9.673 1.00 0.00 H new ATOM 0 HA VAL A 107 1.189 -0.714 6.777 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.073 0.341 6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.387 -1.700 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.774 -2.100 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.110 -2.268 7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.711 0.309 8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.431 -0.238 9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.336 1.377 8.592 1.00 0.00 H new ATOM 1605 N HIS A 108 1.412 1.777 6.429 1.00 0.00 N ATOM 1606 CA HIS A 108 1.842 3.202 6.356 1.00 0.00 C ATOM 1607 C HIS A 108 1.313 3.822 5.061 1.00 0.00 C ATOM 1608 O HIS A 108 1.819 3.570 3.996 1.00 0.00 O ATOM 1609 CB HIS A 108 3.370 3.285 6.371 1.00 0.00 C ATOM 1610 CG HIS A 108 3.784 4.731 6.364 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.065 5.133 6.022 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.094 5.882 6.653 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.107 6.474 6.114 1.00 0.00 C ATOM 1614 NE2 HIS A 108 3.931 6.983 6.495 1.00 0.00 N ATOM 0 H HIS A 108 1.405 1.278 5.539 1.00 0.00 H new ATOM 0 HA HIS A 108 1.445 3.744 7.215 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.765 2.785 7.255 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.783 2.771 5.503 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.059 5.927 6.957 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.985 7.068 5.905 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.698 7.965 6.639 1.00 0.00 H new ATOM 1622 N MET A 109 0.297 4.629 5.143 1.00 0.00 N ATOM 1623 CA MET A 109 -0.256 5.256 3.904 1.00 0.00 C ATOM 1624 C MET A 109 0.281 6.686 3.789 1.00 0.00 C ATOM 1625 O MET A 109 0.063 7.482 4.679 1.00 0.00 O ATOM 1626 CB MET A 109 -1.787 5.314 4.006 1.00 0.00 C ATOM 1627 CG MET A 109 -2.342 4.009 4.597 1.00 0.00 C ATOM 1628 SD MET A 109 -4.043 4.299 5.148 1.00 0.00 S ATOM 1629 CE MET A 109 -4.856 3.885 3.593 1.00 0.00 C ATOM 0 H MET A 109 -0.177 4.884 6.009 1.00 0.00 H new ATOM 0 HA MET A 109 0.038 4.670 3.033 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.083 6.157 4.631 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.216 5.483 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.317 3.215 3.850 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.725 3.680 5.433 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.912 3.684 3.776 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.761 4.720 2.899 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.388 3.000 3.162 1.00 0.00 H new ATOM 1639 N LYS A 110 0.979 7.050 2.726 1.00 0.00 N ATOM 1640 CA LYS A 110 1.476 8.460 2.672 1.00 0.00 C ATOM 1641 C LYS A 110 1.025 9.132 1.376 1.00 0.00 C ATOM 1642 O LYS A 110 0.146 8.655 0.694 1.00 0.00 O ATOM 1643 CB LYS A 110 3.000 8.473 2.780 1.00 0.00 C ATOM 1644 CG LYS A 110 3.441 9.601 3.719 1.00 0.00 C ATOM 1645 CD LYS A 110 4.936 9.466 4.014 1.00 0.00 C ATOM 1646 CE LYS A 110 5.238 10.052 5.394 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.500 10.841 5.333 1.00 0.00 N ATOM 0 H LYS A 110 1.214 6.457 1.930 1.00 0.00 H new ATOM 0 HA LYS A 110 1.058 9.018 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.356 7.514 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.443 8.613 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.236 10.569 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.871 9.559 4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.231 8.417 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.516 9.985 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.414 10.688 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.332 9.252 6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.706 11.240 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.283 10.222 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.394 11.613 4.644 1.00 0.00 H new ATOM 1661 N LYS A 111 1.603 10.253 1.044 1.00 0.00 N ATOM 1662 CA LYS A 111 1.192 10.963 -0.197 1.00 0.00 C ATOM 1663 C LYS A 111 2.345 10.934 -1.196 1.00 0.00 C ATOM 1664 O LYS A 111 3.266 11.723 -1.124 1.00 0.00 O ATOM 1665 CB LYS A 111 0.831 12.413 0.141 1.00 0.00 C ATOM 1666 CG LYS A 111 0.528 13.186 -1.147 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.008 14.575 -0.797 1.00 0.00 C ATOM 1668 CE LYS A 111 -1.266 14.856 -1.621 1.00 0.00 C ATOM 1669 NZ LYS A 111 -1.126 16.170 -2.308 1.00 0.00 N ATOM 0 H LYS A 111 2.343 10.707 1.580 1.00 0.00 H new ATOM 0 HA LYS A 111 0.323 10.472 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.035 12.437 0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.654 12.887 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.431 13.275 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.203 12.643 -1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -0.237 14.631 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.750 15.331 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.418 14.064 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.143 14.863 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.981 16.362 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.001 16.921 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.298 16.146 -2.937 1.00 0.00 H new ATOM 1683 N ALA A 112 2.301 10.029 -2.129 1.00 0.00 N ATOM 1684 CA ALA A 112 3.390 9.942 -3.137 1.00 0.00 C ATOM 1685 C ALA A 112 3.572 11.298 -3.816 1.00 0.00 C ATOM 1686 O ALA A 112 2.616 11.943 -4.199 1.00 0.00 O ATOM 1687 CB ALA A 112 3.018 8.901 -4.187 1.00 0.00 C ATOM 0 H ALA A 112 1.554 9.342 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 112 4.319 9.656 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.813 8.833 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.885 7.931 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.089 9.194 -4.676 1.00 0.00 H new ATOM 1693 N LEU A 113 4.788 11.733 -3.975 1.00 0.00 N ATOM 1694 CA LEU A 113 5.019 13.045 -4.638 1.00 0.00 C ATOM 1695 C LEU A 113 5.821 12.839 -5.926 1.00 0.00 C ATOM 1696 O LEU A 113 5.832 13.683 -6.799 1.00 0.00 O ATOM 1697 CB LEU A 113 5.793 13.971 -3.696 1.00 0.00 C ATOM 1698 CG LEU A 113 6.953 13.203 -3.060 1.00 0.00 C ATOM 1699 CD1 LEU A 113 8.186 14.104 -2.987 1.00 0.00 C ATOM 1700 CD2 LEU A 113 6.559 12.765 -1.648 1.00 0.00 C ATOM 0 H LEU A 113 5.629 11.240 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 113 4.057 13.498 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.172 14.832 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.130 14.355 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 113 7.181 12.325 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.011 13.555 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.468 14.418 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.959 14.983 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.385 12.217 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.330 13.644 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.681 12.121 -1.698 1.00 0.00 H new ATOM 1712 N SER A 114 6.493 11.725 -6.054 1.00 0.00 N ATOM 1713 CA SER A 114 7.289 11.471 -7.290 1.00 0.00 C ATOM 1714 C SER A 114 6.399 11.658 -8.520 1.00 0.00 C ATOM 1715 O SER A 114 6.756 12.341 -9.458 1.00 0.00 O ATOM 1716 CB SER A 114 7.824 10.039 -7.266 1.00 0.00 C ATOM 1717 OG SER A 114 9.106 10.026 -6.651 1.00 0.00 O ATOM 0 H SER A 114 6.525 10.981 -5.357 1.00 0.00 H new ATOM 0 HA SER A 114 8.122 12.172 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.139 9.392 -6.718 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.891 9.647 -8.281 1.00 0.00 H new ATOM 0 HG SER A 114 9.184 9.237 -6.075 1.00 0.00 H new ATOM 1723 N GLY A 115 5.241 11.056 -8.522 1.00 0.00 N ATOM 1724 CA GLY A 115 4.333 11.205 -9.692 1.00 0.00 C ATOM 1725 C GLY A 115 3.122 10.287 -9.533 1.00 0.00 C ATOM 1726 O GLY A 115 2.714 9.617 -10.462 1.00 0.00 O ATOM 0 H GLY A 115 4.886 10.470 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.006 12.241 -9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.867 10.961 -10.611 1.00 0.00 H new ATOM 1730 N ASP A 116 2.536 10.253 -8.370 1.00 0.00 N ATOM 1731 CA ASP A 116 1.348 9.382 -8.169 1.00 0.00 C ATOM 1732 C ASP A 116 0.307 10.133 -7.332 1.00 0.00 C ATOM 1733 O ASP A 116 -0.527 10.832 -7.874 1.00 0.00 O ATOM 1734 CB ASP A 116 1.769 8.090 -7.469 1.00 0.00 C ATOM 1735 CG ASP A 116 2.473 7.177 -8.475 1.00 0.00 C ATOM 1736 OD1 ASP A 116 2.024 7.118 -9.607 1.00 0.00 O ATOM 1737 OD2 ASP A 116 3.451 6.553 -8.096 1.00 0.00 O ATOM 0 H ASP A 116 2.828 10.789 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 116 0.909 9.126 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.435 8.314 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.896 7.587 -7.053 1.00 0.00 H new ATOM 1742 N SER A 117 0.357 10.012 -6.021 1.00 0.00 N ATOM 1743 CA SER A 117 -0.630 10.737 -5.148 1.00 0.00 C ATOM 1744 C SER A 117 -0.694 10.100 -3.752 1.00 0.00 C ATOM 1745 O SER A 117 -0.193 10.643 -2.787 1.00 0.00 O ATOM 1746 CB SER A 117 -2.037 10.683 -5.759 1.00 0.00 C ATOM 1747 OG SER A 117 -2.282 11.887 -6.474 1.00 0.00 O ATOM 0 H SER A 117 1.038 9.443 -5.519 1.00 0.00 H new ATOM 0 HA SER A 117 -0.295 11.771 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.124 9.825 -6.426 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.783 10.554 -4.974 1.00 0.00 H new ATOM 0 HG SER A 117 -1.812 11.858 -7.334 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.347 8.973 -3.633 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.494 8.319 -2.290 1.00 0.00 C ATOM 1755 C TYR A 118 -0.988 6.879 -2.347 1.00 0.00 C ATOM 1756 O TYR A 118 -1.392 6.110 -3.197 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.985 8.279 -1.906 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.677 9.511 -2.396 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.524 10.726 -1.727 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.473 9.427 -3.534 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.174 11.865 -2.205 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -5.122 10.556 -4.014 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.977 11.783 -3.352 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.620 12.907 -3.829 1.00 0.00 O ATOM 0 H TYR A 118 -1.787 8.474 -4.406 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.918 8.889 -1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.455 7.394 -2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.087 8.201 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.906 10.785 -0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.586 8.482 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.059 12.808 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.739 10.489 -4.898 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.213 13.708 -3.437 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.133 6.490 -1.439 1.00 0.00 N ATOM 1775 CA TRP A 119 0.346 5.086 -1.455 1.00 0.00 C ATOM 1776 C TRP A 119 0.204 4.438 -0.089 1.00 0.00 C ATOM 1777 O TRP A 119 0.005 5.089 0.908 1.00 0.00 O ATOM 1778 CB TRP A 119 1.776 4.999 -1.979 1.00 0.00 C ATOM 1779 CG TRP A 119 2.728 5.856 -1.221 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.283 6.981 -1.677 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.286 5.631 0.077 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.165 7.470 -0.738 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.202 6.660 0.377 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.075 4.634 1.001 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.901 6.680 1.581 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.769 4.634 2.221 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.685 5.657 2.510 1.00 0.00 C ATOM 0 H TRP A 119 0.248 7.078 -0.698 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.286 4.525 -2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.112 3.963 -1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.790 5.291 -3.029 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.073 7.437 -2.633 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.718 8.320 -0.853 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.370 3.845 0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.600 7.475 1.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.598 3.845 2.939 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.222 5.654 3.447 1.00 0.00 H new ATOM 1798 N VAL A 120 0.265 3.136 -0.056 1.00 0.00 N ATOM 1799 CA VAL A 120 0.105 2.408 1.227 1.00 0.00 C ATOM 1800 C VAL A 120 1.017 1.187 1.234 1.00 0.00 C ATOM 1801 O VAL A 120 0.822 0.253 0.479 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.351 1.942 1.380 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.519 1.246 2.732 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.283 3.150 1.310 1.00 0.00 C ATOM 0 H VAL A 120 0.420 2.543 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 120 0.366 3.073 2.050 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.598 1.247 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.551 0.914 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.853 0.385 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.273 1.943 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.316 2.819 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.038 3.845 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.161 3.649 0.348 1.00 0.00 H new ATOM 1814 N PHE A 121 2.000 1.170 2.091 1.00 0.00 N ATOM 1815 CA PHE A 121 2.886 -0.015 2.150 1.00 0.00 C ATOM 1816 C PHE A 121 2.372 -0.915 3.249 1.00 0.00 C ATOM 1817 O PHE A 121 1.927 -0.449 4.280 1.00 0.00 O ATOM 1818 CB PHE A 121 4.343 0.392 2.446 1.00 0.00 C ATOM 1819 CG PHE A 121 4.757 1.522 1.522 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.116 1.697 0.284 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.772 2.402 1.908 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.486 2.746 -0.558 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.140 3.455 1.063 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.495 3.628 -0.167 1.00 0.00 C ATOM 0 H PHE A 121 2.223 1.920 2.745 1.00 0.00 H new ATOM 0 HA PHE A 121 2.879 -0.527 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.439 0.706 3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 121 5.005 -0.463 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.333 1.016 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.271 2.270 2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.993 2.875 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.924 4.136 1.361 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.778 4.445 -0.814 1.00 0.00 H new ATOM 1834 N VAL A 122 2.397 -2.192 3.039 1.00 0.00 N ATOM 1835 CA VAL A 122 1.887 -3.096 4.083 1.00 0.00 C ATOM 1836 C VAL A 122 3.011 -4.000 4.588 1.00 0.00 C ATOM 1837 O VAL A 122 3.445 -4.921 3.927 1.00 0.00 O ATOM 1838 CB VAL A 122 0.721 -3.922 3.514 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.675 -5.326 4.135 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.574 -3.194 3.843 1.00 0.00 C ATOM 0 H VAL A 122 2.747 -2.644 2.194 1.00 0.00 H new ATOM 0 HA VAL A 122 1.521 -2.514 4.929 1.00 0.00 H new ATOM 0 HB VAL A 122 0.855 -4.032 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.160 -5.884 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.607 -5.849 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.546 -5.243 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.419 -3.759 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.673 -3.098 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.559 -2.202 3.391 1.00 0.00 H new ATOM 1850 N LYS A 123 3.427 -3.760 5.783 1.00 0.00 N ATOM 1851 CA LYS A 123 4.467 -4.610 6.407 1.00 0.00 C ATOM 1852 C LYS A 123 3.742 -5.807 7.008 1.00 0.00 C ATOM 1853 O LYS A 123 2.616 -5.692 7.443 1.00 0.00 O ATOM 1854 CB LYS A 123 5.184 -3.811 7.496 1.00 0.00 C ATOM 1855 CG LYS A 123 6.627 -4.297 7.635 1.00 0.00 C ATOM 1856 CD LYS A 123 7.395 -3.990 6.350 1.00 0.00 C ATOM 1857 CE LYS A 123 8.785 -3.443 6.691 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.593 -4.512 7.344 1.00 0.00 N ATOM 0 H LYS A 123 3.088 -2.998 6.370 1.00 0.00 H new ATOM 0 HA LYS A 123 5.215 -4.937 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.171 -2.750 7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.660 -3.923 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.106 -3.808 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.643 -5.369 7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.488 -4.893 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.845 -3.263 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.284 -3.097 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.696 -2.583 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.831 -4.223 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.044 -5.395 7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.468 -4.665 6.803 1.00 0.00 H new ATOM 1872 N ARG A 124 4.342 -6.961 7.015 1.00 0.00 N ATOM 1873 CA ARG A 124 3.617 -8.142 7.573 1.00 0.00 C ATOM 1874 C ARG A 124 4.015 -8.364 9.032 1.00 0.00 C ATOM 1875 O ARG A 124 5.180 -8.403 9.375 1.00 0.00 O ATOM 1876 CB ARG A 124 3.930 -9.390 6.736 1.00 0.00 C ATOM 1877 CG ARG A 124 3.231 -10.608 7.349 1.00 0.00 C ATOM 1878 CD ARG A 124 2.854 -11.592 6.240 1.00 0.00 C ATOM 1879 NE ARG A 124 2.095 -12.734 6.826 1.00 0.00 N ATOM 1880 CZ ARG A 124 2.680 -13.889 6.984 1.00 0.00 C ATOM 1881 NH1 ARG A 124 3.883 -13.946 7.484 1.00 0.00 N ATOM 1882 NH2 ARG A 124 2.062 -14.987 6.643 1.00 0.00 N ATOM 0 H ARG A 124 5.284 -7.141 6.667 1.00 0.00 H new ATOM 0 HA ARG A 124 2.544 -7.953 7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.595 -9.245 5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.007 -9.556 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.888 -11.092 8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.338 -10.294 7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.251 -11.090 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.752 -11.956 5.741 1.00 0.00 H new ATOM 0 HE ARG A 124 1.121 -12.612 7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.365 -13.088 7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.341 -14.849 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.121 -14.942 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.520 -15.890 6.767 1.00 0.00 H new ATOM 1896 N VAL A 125 3.043 -8.505 9.893 1.00 0.00 N ATOM 1897 CA VAL A 125 3.341 -8.721 11.338 1.00 0.00 C ATOM 1898 C VAL A 125 2.948 -10.147 11.722 1.00 0.00 C ATOM 1899 O VAL A 125 2.379 -10.829 10.886 1.00 0.00 O ATOM 1900 CB VAL A 125 2.559 -7.727 12.226 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.541 -6.964 13.101 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.787 -6.708 11.386 1.00 0.00 C ATOM 1903 OXT VAL A 125 3.220 -10.535 12.848 1.00 0.00 O ATOM 0 H VAL A 125 2.051 -8.480 9.656 1.00 0.00 H new ATOM 0 HA VAL A 125 4.407 -8.560 11.497 1.00 0.00 H new ATOM 0 HB VAL A 125 1.852 -8.300 12.825 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.997 -6.260 13.731 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.089 -7.665 13.730 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.243 -6.418 12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.250 -6.026 12.045 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.485 -6.142 10.769 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.076 -7.229 10.745 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.807 -5.872 3.017 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.607 -6.653 2.542 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.400 -5.664 2.510 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -6.977 -6.359 1.483 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -5.551 -6.225 1.014 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -5.100 -7.003 -0.068 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -3.756 -6.904 -0.476 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -2.879 -6.025 0.199 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -3.339 -5.246 1.270 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -4.674 -5.346 1.679 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -1.714 -5.937 -0.143 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.035 -4.743 2.512 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -2.660 -4.565 1.782 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -3.393 -7.504 -1.310 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -7.658 -7.036 0.967 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -5.784 -7.676 -0.585 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -6.742 -4.942 2.994 1.00 0.00 H new