USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1169 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 146 SER OG : rot 180:sc= -0.112 USER MOD Set 1.2: A 147 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 112 THR OG1 : rot -170:sc= -0.027 USER MOD Set 2.2: A 114 GLN : amide:sc= -0.133 K(o=-0.16,f=-1) USER MOD Set 3.1: A 48 ASN : amide:sc= -3.01! C(o=-9.1!,f=-17!) USER MOD Set 3.2: A 61 ASN : amide:sc= -2.35 K(o=-9.1,f=-11!) USER MOD Set 3.3: A 82 GLN : amide:sc= -3.77! C(o=-9.1!,f=-9.5!) USER MOD Set 4.1: A 50 GLN : amide:sc= -9.96! C(o=-9.8!,f=-11!) USER MOD Set 4.2: A 84 TYR OH : rot -70:sc= 0.185 USER MOD Set 5.1: A 27 HIS : no HD1:sc= -0.381 X(o=-0.06,f=0.28) USER MOD Set 5.2: A 33 THR OG1 : rot -5:sc= 0.321 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 5 SER OG : rot 5:sc= 1.2 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc=-0.00427 (180deg=-0.0812) USER MOD Single : A 13 THR OG1 : rot -17:sc= 0.814 USER MOD Single : A 14 THR OG1 : rot 69:sc= 0.89 USER MOD Single : A 26 MET CE :methyl 138:sc= -0.674 (180deg=-1.91!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.732 F(o=-1.3,f=-0.73) USER MOD Single : A 40 MET CE :methyl -132:sc= -0.0967 (180deg=-0.843) USER MOD Single : A 41 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.0022) USER MOD Single : A 42 ASN : amide:sc= -0.0984 X(o=-0.098,f=-0.082) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -0.82 (180deg=-3.38!) USER MOD Single : A 46 MET CE :methyl -165:sc= -4.3! (180deg=-5.64!) USER MOD Single : A 51 ASN : amide:sc= -2.87! C(o=-2.9!,f=-3.3!) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.16 F(o=-0.83,f=-0.16) USER MOD Single : A 57 CYS SG : rot -134:sc= 0.456 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.36 F(o=-3.1,f=-1.4) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 170:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0437 K(o=-0.044,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -3.78! C(o=-3.8!,f=-9.3!) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -2.31! C(o=-4.3!,f=-2.3!) USER MOD Single : A 85 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-4.1!) USER MOD Single : A 87 SER OG : rot -65:sc= 1.26 USER MOD Single : A 91 GLN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0587 USER MOD Single : A 95 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.066) USER MOD Single : A 97 TYR OH : rot -89:sc= -3.64 USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -0.0461 (180deg=-0.366) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 51:sc= -0.62 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.198 K(o=-0.2,f=-1) USER MOD Single : A 132 THR OG1 : rot -70:sc= 1.09 USER MOD Single : A 138 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.938 28.349 3.631 1.00 0.00 N ATOM 2 CA GLY A 1 4.110 28.017 2.487 1.00 0.00 C ATOM 3 C GLY A 1 2.749 27.487 2.890 1.00 0.00 C ATOM 4 O GLY A 1 1.886 28.245 3.333 1.00 0.00 O ATOM 0 H1 GLY A 1 5.857 28.707 3.302 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.466 29.080 4.201 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.085 27.499 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.982 28.904 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.621 27.272 1.877 1.00 0.00 H new ATOM 8 N SER A 2 2.555 26.181 2.734 1.00 0.00 N ATOM 9 CA SER A 2 1.286 25.551 3.081 1.00 0.00 C ATOM 10 C SER A 2 0.153 26.103 2.222 1.00 0.00 C ATOM 11 O SER A 2 -0.940 26.377 2.718 1.00 0.00 O ATOM 12 CB SER A 2 0.971 25.768 4.562 1.00 0.00 C ATOM 13 OG SER A 2 1.842 25.011 5.385 1.00 0.00 O ATOM 0 H SER A 2 3.259 25.539 2.370 1.00 0.00 H new ATOM 0 HA SER A 2 1.376 24.482 2.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.064 26.826 4.805 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.062 25.484 4.763 1.00 0.00 H new ATOM 0 HG SER A 2 1.621 25.168 6.327 1.00 0.00 H new ATOM 19 N SER A 3 0.422 26.264 0.930 1.00 0.00 N ATOM 20 CA SER A 3 -0.573 26.787 0.001 1.00 0.00 C ATOM 21 C SER A 3 -1.474 25.670 -0.517 1.00 0.00 C ATOM 22 O SER A 3 -1.228 24.491 -0.263 1.00 0.00 O ATOM 23 CB SER A 3 0.113 27.490 -1.172 1.00 0.00 C ATOM 24 OG SER A 3 -0.803 28.301 -1.887 1.00 0.00 O ATOM 0 H SER A 3 1.321 26.040 0.503 1.00 0.00 H new ATOM 0 HA SER A 3 -1.190 27.508 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.935 28.103 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.546 26.747 -1.842 1.00 0.00 H new ATOM 0 HG SER A 3 -0.340 28.741 -2.630 1.00 0.00 H new ATOM 30 N GLY A 4 -2.519 26.050 -1.245 1.00 0.00 N ATOM 31 CA GLY A 4 -3.442 25.070 -1.787 1.00 0.00 C ATOM 32 C GLY A 4 -3.949 25.451 -3.164 1.00 0.00 C ATOM 33 O GLY A 4 -3.444 26.388 -3.782 1.00 0.00 O ATOM 0 H GLY A 4 -2.743 27.019 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.947 24.100 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.288 24.959 -1.109 1.00 0.00 H new ATOM 37 N SER A 5 -4.951 24.722 -3.646 1.00 0.00 N ATOM 38 CA SER A 5 -5.524 24.986 -4.961 1.00 0.00 C ATOM 39 C SER A 5 -6.878 24.300 -5.111 1.00 0.00 C ATOM 40 O SER A 5 -7.158 23.301 -4.448 1.00 0.00 O ATOM 41 CB SER A 5 -4.573 24.507 -6.060 1.00 0.00 C ATOM 42 OG SER A 5 -3.482 25.397 -6.214 1.00 0.00 O ATOM 0 H SER A 5 -5.382 23.945 -3.146 1.00 0.00 H new ATOM 0 HA SER A 5 -5.668 26.062 -5.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.202 23.511 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.114 24.424 -7.003 1.00 0.00 H new ATOM 0 HG SER A 5 -3.526 26.091 -5.523 1.00 0.00 H new ATOM 48 N SER A 6 -7.717 24.845 -5.987 1.00 0.00 N ATOM 49 CA SER A 6 -9.044 24.290 -6.221 1.00 0.00 C ATOM 50 C SER A 6 -9.241 23.957 -7.698 1.00 0.00 C ATOM 51 O SER A 6 -8.428 24.330 -8.543 1.00 0.00 O ATOM 52 CB SER A 6 -10.121 25.274 -5.761 1.00 0.00 C ATOM 53 OG SER A 6 -10.317 26.300 -6.718 1.00 0.00 O ATOM 0 H SER A 6 -7.500 25.670 -6.546 1.00 0.00 H new ATOM 0 HA SER A 6 -9.132 23.370 -5.643 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.058 24.742 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.833 25.713 -4.806 1.00 0.00 H new ATOM 0 HG SER A 6 -11.011 26.915 -6.401 1.00 0.00 H new ATOM 59 N GLY A 7 -10.327 23.252 -8.000 1.00 0.00 N ATOM 60 CA GLY A 7 -10.612 22.881 -9.373 1.00 0.00 C ATOM 61 C GLY A 7 -10.488 21.388 -9.608 1.00 0.00 C ATOM 62 O GLY A 7 -9.436 20.799 -9.358 1.00 0.00 O ATOM 0 H GLY A 7 -11.014 22.931 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.620 23.204 -9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.928 23.408 -10.038 1.00 0.00 H new ATOM 66 N ILE A 8 -11.565 20.775 -10.087 1.00 0.00 N ATOM 67 CA ILE A 8 -11.571 19.342 -10.354 1.00 0.00 C ATOM 68 C ILE A 8 -12.444 19.012 -11.560 1.00 0.00 C ATOM 69 O ILE A 8 -13.667 19.150 -11.512 1.00 0.00 O ATOM 70 CB ILE A 8 -12.075 18.545 -9.136 1.00 0.00 C ATOM 71 CG1 ILE A 8 -11.187 18.814 -7.920 1.00 0.00 C ATOM 72 CG2 ILE A 8 -12.109 17.057 -9.454 1.00 0.00 C ATOM 73 CD1 ILE A 8 -11.620 20.017 -7.111 1.00 0.00 C ATOM 0 H ILE A 8 -12.444 21.248 -10.298 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.541 19.055 -10.565 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.089 18.871 -8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.189 17.934 -7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.160 18.962 -8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.467 16.507 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.778 16.880 -10.296 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.106 16.717 -9.711 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.946 20.148 -6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.591 20.907 -7.739 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.635 19.863 -6.746 1.00 0.00 H new ATOM 85 N ASP A 9 -11.808 18.572 -12.641 1.00 0.00 N ATOM 86 CA ASP A 9 -12.527 18.219 -13.860 1.00 0.00 C ATOM 87 C ASP A 9 -11.703 17.265 -14.719 1.00 0.00 C ATOM 88 O ASP A 9 -10.647 17.631 -15.235 1.00 0.00 O ATOM 89 CB ASP A 9 -12.869 19.478 -14.658 1.00 0.00 C ATOM 90 CG ASP A 9 -13.751 20.435 -13.881 1.00 0.00 C ATOM 91 OD1 ASP A 9 -14.871 20.033 -13.498 1.00 0.00 O ATOM 92 OD2 ASP A 9 -13.322 21.585 -13.654 1.00 0.00 O ATOM 0 H ASP A 9 -10.797 18.451 -12.698 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.452 17.717 -13.575 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.947 19.987 -14.941 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.373 19.193 -15.582 1.00 0.00 H new ATOM 97 N LYS A 10 -12.192 16.038 -14.867 1.00 0.00 N ATOM 98 CA LYS A 10 -11.502 15.030 -15.663 1.00 0.00 C ATOM 99 C LYS A 10 -12.500 14.122 -16.374 1.00 0.00 C ATOM 100 O LYS A 10 -13.133 13.269 -15.752 1.00 0.00 O ATOM 101 CB LYS A 10 -10.579 14.193 -14.774 1.00 0.00 C ATOM 102 CG LYS A 10 -11.293 13.530 -13.609 1.00 0.00 C ATOM 103 CD LYS A 10 -10.369 13.355 -12.416 1.00 0.00 C ATOM 104 CE LYS A 10 -9.602 12.044 -12.491 1.00 0.00 C ATOM 105 NZ LYS A 10 -9.094 11.620 -11.157 1.00 0.00 N ATOM 0 H LYS A 10 -13.064 15.718 -14.446 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.904 15.544 -16.416 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.102 13.424 -15.382 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.785 14.831 -14.387 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.154 14.132 -13.318 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.675 12.558 -13.921 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.666 14.187 -12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.952 13.384 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.250 11.267 -12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.765 12.152 -13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.577 10.722 -11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.455 12.349 -10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.894 11.492 -10.506 1.00 0.00 H new ATOM 119 N LYS A 11 -12.636 14.311 -17.683 1.00 0.00 N ATOM 120 CA LYS A 11 -13.555 13.508 -18.481 1.00 0.00 C ATOM 121 C LYS A 11 -12.836 12.882 -19.672 1.00 0.00 C ATOM 122 O LYS A 11 -12.013 13.527 -20.323 1.00 0.00 O ATOM 123 CB LYS A 11 -14.723 14.367 -18.970 1.00 0.00 C ATOM 124 CG LYS A 11 -15.672 14.790 -17.862 1.00 0.00 C ATOM 125 CD LYS A 11 -15.130 15.980 -17.088 1.00 0.00 C ATOM 126 CE LYS A 11 -16.169 16.541 -16.129 1.00 0.00 C ATOM 127 NZ LYS A 11 -16.613 15.525 -15.135 1.00 0.00 N ATOM 0 H LYS A 11 -12.121 15.014 -18.213 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.941 12.707 -17.850 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.328 15.258 -19.459 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.282 13.811 -19.723 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.642 15.044 -18.290 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.833 13.954 -17.181 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.243 15.679 -16.530 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.819 16.758 -17.785 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.753 17.402 -15.607 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.030 16.896 -16.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.256 15.969 -14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.109 14.753 -15.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.785 15.142 -14.636 1.00 0.00 H new ATOM 141 N LEU A 12 -13.154 11.623 -19.953 1.00 0.00 N ATOM 142 CA LEU A 12 -12.540 10.910 -21.068 1.00 0.00 C ATOM 143 C LEU A 12 -13.446 10.934 -22.295 1.00 0.00 C ATOM 144 O LEU A 12 -13.002 11.239 -23.403 1.00 0.00 O ATOM 145 CB LEU A 12 -12.238 9.464 -20.670 1.00 0.00 C ATOM 146 CG LEU A 12 -13.318 8.753 -19.854 1.00 0.00 C ATOM 147 CD1 LEU A 12 -14.185 7.887 -20.755 1.00 0.00 C ATOM 148 CD2 LEU A 12 -12.689 7.915 -18.751 1.00 0.00 C ATOM 0 H LEU A 12 -13.833 11.075 -19.425 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.606 11.413 -21.319 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.059 8.888 -21.578 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.311 9.452 -20.097 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.952 9.509 -19.391 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.948 7.389 -20.157 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.665 8.512 -21.508 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.564 7.138 -21.247 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.473 7.417 -18.181 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.030 7.167 -19.193 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.112 8.560 -18.088 1.00 0.00 H new ATOM 160 N THR A 13 -14.719 10.611 -22.090 1.00 0.00 N ATOM 161 CA THR A 13 -15.688 10.597 -23.179 1.00 0.00 C ATOM 162 C THR A 13 -15.118 9.908 -24.413 1.00 0.00 C ATOM 163 O THR A 13 -15.346 10.344 -25.542 1.00 0.00 O ATOM 164 CB THR A 13 -16.128 12.023 -23.558 1.00 0.00 C ATOM 165 OG1 THR A 13 -15.091 12.675 -24.300 1.00 0.00 O ATOM 166 CG2 THR A 13 -16.458 12.836 -22.316 1.00 0.00 C ATOM 0 H THR A 13 -15.103 10.356 -21.180 1.00 0.00 H new ATOM 0 HA THR A 13 -16.555 10.040 -22.823 1.00 0.00 H new ATOM 0 HB THR A 13 -17.024 11.951 -24.174 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.246 12.194 -24.173 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.766 13.840 -22.609 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.268 12.353 -21.769 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.577 12.899 -21.678 1.00 0.00 H new ATOM 174 N THR A 14 -14.375 8.828 -24.192 1.00 0.00 N ATOM 175 CA THR A 14 -13.771 8.078 -25.287 1.00 0.00 C ATOM 176 C THR A 14 -13.803 6.579 -25.011 1.00 0.00 C ATOM 177 O THR A 14 -13.546 6.139 -23.889 1.00 0.00 O ATOM 178 CB THR A 14 -12.314 8.513 -25.529 1.00 0.00 C ATOM 179 OG1 THR A 14 -12.262 9.914 -25.819 1.00 0.00 O ATOM 180 CG2 THR A 14 -11.699 7.729 -26.679 1.00 0.00 C ATOM 0 H THR A 14 -14.177 8.453 -23.264 1.00 0.00 H new ATOM 0 HA THR A 14 -14.359 8.293 -26.179 1.00 0.00 H new ATOM 0 HB THR A 14 -11.742 8.309 -24.624 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.495 10.423 -25.015 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.670 8.054 -26.831 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.713 6.665 -26.442 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.273 7.906 -27.588 1.00 0.00 H new ATOM 188 N LEU A 15 -14.119 5.800 -26.039 1.00 0.00 N ATOM 189 CA LEU A 15 -14.184 4.348 -25.906 1.00 0.00 C ATOM 190 C LEU A 15 -12.991 3.686 -26.589 1.00 0.00 C ATOM 191 O LEU A 15 -12.867 3.718 -27.813 1.00 0.00 O ATOM 192 CB LEU A 15 -15.488 3.819 -26.506 1.00 0.00 C ATOM 193 CG LEU A 15 -16.711 3.855 -25.590 1.00 0.00 C ATOM 194 CD1 LEU A 15 -17.337 5.241 -25.588 1.00 0.00 C ATOM 195 CD2 LEU A 15 -17.730 2.808 -26.018 1.00 0.00 C ATOM 0 H LEU A 15 -14.334 6.148 -26.973 1.00 0.00 H new ATOM 0 HA LEU A 15 -14.154 4.103 -24.844 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.713 4.397 -27.402 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -15.327 2.789 -26.823 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.387 3.624 -24.575 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.206 5.247 -24.930 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.608 5.969 -25.232 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.646 5.502 -26.600 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.594 2.848 -25.354 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.049 3.007 -27.041 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.278 1.818 -25.965 1.00 0.00 H new ATOM 207 N ALA A 16 -12.118 3.084 -25.788 1.00 0.00 N ATOM 208 CA ALA A 16 -10.937 2.410 -26.315 1.00 0.00 C ATOM 209 C ALA A 16 -10.410 1.374 -25.328 1.00 0.00 C ATOM 210 O ALA A 16 -10.592 1.508 -24.118 1.00 0.00 O ATOM 211 CB ALA A 16 -9.854 3.425 -26.648 1.00 0.00 C ATOM 0 H ALA A 16 -12.206 3.049 -24.772 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.224 1.889 -27.229 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.979 2.907 -27.040 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.228 4.124 -27.396 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.578 3.972 -25.746 1.00 0.00 H new ATOM 217 N ASP A 17 -9.756 0.344 -25.852 1.00 0.00 N ATOM 218 CA ASP A 17 -9.201 -0.715 -25.016 1.00 0.00 C ATOM 219 C ASP A 17 -8.298 -0.134 -23.932 1.00 0.00 C ATOM 220 O ASP A 17 -8.082 1.077 -23.872 1.00 0.00 O ATOM 221 CB ASP A 17 -8.417 -1.711 -25.871 1.00 0.00 C ATOM 222 CG ASP A 17 -9.321 -2.684 -26.602 1.00 0.00 C ATOM 223 OD1 ASP A 17 -10.107 -3.383 -25.930 1.00 0.00 O ATOM 224 OD2 ASP A 17 -9.242 -2.746 -27.847 1.00 0.00 O ATOM 0 H ASP A 17 -9.597 0.219 -26.852 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.029 -1.235 -24.534 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.813 -1.166 -26.596 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.728 -2.267 -25.236 1.00 0.00 H new ATOM 229 N LEU A 18 -7.774 -1.005 -23.077 1.00 0.00 N ATOM 230 CA LEU A 18 -6.895 -0.579 -21.993 1.00 0.00 C ATOM 231 C LEU A 18 -5.546 -0.119 -22.536 1.00 0.00 C ATOM 232 O LEU A 18 -5.069 0.967 -22.205 1.00 0.00 O ATOM 233 CB LEU A 18 -6.693 -1.720 -20.995 1.00 0.00 C ATOM 234 CG LEU A 18 -6.706 -3.133 -21.579 1.00 0.00 C ATOM 235 CD1 LEU A 18 -5.821 -4.058 -20.758 1.00 0.00 C ATOM 236 CD2 LEU A 18 -8.129 -3.671 -21.643 1.00 0.00 C ATOM 0 H LEU A 18 -7.942 -2.010 -23.113 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.367 0.261 -21.484 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.741 -1.567 -20.487 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.473 -1.655 -20.236 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.309 -3.090 -22.593 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.843 -5.059 -21.189 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.798 -3.683 -20.764 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.187 -4.096 -19.732 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.119 -4.678 -22.061 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.553 -3.699 -20.639 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.735 -3.022 -22.275 1.00 0.00 H new ATOM 248 N PHE A 19 -4.936 -0.952 -23.374 1.00 0.00 N ATOM 249 CA PHE A 19 -3.642 -0.630 -23.964 1.00 0.00 C ATOM 250 C PHE A 19 -2.626 -0.266 -22.884 1.00 0.00 C ATOM 251 O PHE A 19 -1.749 0.570 -23.099 1.00 0.00 O ATOM 252 CB PHE A 19 -3.783 0.525 -24.957 1.00 0.00 C ATOM 253 CG PHE A 19 -4.173 0.084 -26.339 1.00 0.00 C ATOM 254 CD1 PHE A 19 -5.263 -0.750 -26.532 1.00 0.00 C ATOM 255 CD2 PHE A 19 -3.450 0.503 -27.444 1.00 0.00 C ATOM 256 CE1 PHE A 19 -5.623 -1.158 -27.802 1.00 0.00 C ATOM 257 CE2 PHE A 19 -3.806 0.098 -28.717 1.00 0.00 C ATOM 258 CZ PHE A 19 -4.895 -0.733 -28.896 1.00 0.00 C ATOM 0 H PHE A 19 -5.317 -1.854 -23.659 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.283 -1.513 -24.493 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.530 1.225 -24.584 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.838 1.065 -25.010 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.837 -1.085 -25.681 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.598 1.154 -27.309 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.474 -1.809 -27.939 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.234 0.431 -29.570 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.176 -1.050 -29.889 1.00 0.00 H new ATOM 268 N ARG A 20 -2.753 -0.901 -21.723 1.00 0.00 N ATOM 269 CA ARG A 20 -1.849 -0.643 -20.609 1.00 0.00 C ATOM 270 C ARG A 20 -1.489 -1.940 -19.890 1.00 0.00 C ATOM 271 O ARG A 20 -2.243 -2.913 -19.899 1.00 0.00 O ATOM 272 CB ARG A 20 -2.486 0.339 -19.624 1.00 0.00 C ATOM 273 CG ARG A 20 -2.792 1.698 -20.231 1.00 0.00 C ATOM 274 CD ARG A 20 -3.794 2.471 -19.388 1.00 0.00 C ATOM 275 NE ARG A 20 -5.173 2.181 -19.774 1.00 0.00 N ATOM 276 CZ ARG A 20 -6.187 3.010 -19.554 1.00 0.00 C ATOM 277 NH1 ARG A 20 -5.979 4.175 -18.955 1.00 0.00 N ATOM 278 NH2 ARG A 20 -7.414 2.676 -19.934 1.00 0.00 N ATOM 0 H ARG A 20 -3.473 -1.597 -21.530 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.935 -0.204 -21.009 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.409 -0.094 -19.239 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.817 0.473 -18.774 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.871 2.273 -20.322 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.187 1.567 -21.239 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.652 2.222 -18.336 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.606 3.540 -19.490 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.368 1.294 -20.238 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.038 4.437 -18.662 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.760 4.809 -18.788 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.579 1.782 -20.396 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.192 3.314 -19.764 1.00 0.00 H new ATOM 292 N PRO A 21 -0.309 -1.956 -19.254 1.00 0.00 N ATOM 293 CA PRO A 21 0.179 -3.127 -18.518 1.00 0.00 C ATOM 294 C PRO A 21 -0.622 -3.387 -17.246 1.00 0.00 C ATOM 295 O PRO A 21 -1.430 -2.565 -16.814 1.00 0.00 O ATOM 296 CB PRO A 21 1.623 -2.754 -18.174 1.00 0.00 C ATOM 297 CG PRO A 21 1.637 -1.264 -18.161 1.00 0.00 C ATOM 298 CD PRO A 21 0.641 -0.832 -19.202 1.00 0.00 C ATOM 0 HA PRO A 21 0.089 -4.042 -19.103 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.917 -3.161 -17.207 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.321 -3.150 -18.912 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.366 -0.880 -17.178 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.632 -0.881 -18.390 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.147 0.099 -18.923 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.117 -0.663 -20.168 1.00 0.00 H new ATOM 306 N PRO A 22 -0.394 -4.557 -16.632 1.00 0.00 N ATOM 307 CA PRO A 22 -1.083 -4.951 -15.400 1.00 0.00 C ATOM 308 C PRO A 22 -0.644 -4.122 -14.198 1.00 0.00 C ATOM 309 O PRO A 22 0.259 -4.515 -13.458 1.00 0.00 O ATOM 310 CB PRO A 22 -0.675 -6.415 -15.218 1.00 0.00 C ATOM 311 CG PRO A 22 0.629 -6.536 -15.929 1.00 0.00 C ATOM 312 CD PRO A 22 0.556 -5.584 -17.091 1.00 0.00 C ATOM 0 HA PRO A 22 -2.160 -4.800 -15.470 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.576 -6.670 -14.163 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.420 -7.089 -15.640 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.459 -6.283 -15.269 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.794 -7.558 -16.271 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.531 -5.155 -17.321 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.205 -6.080 -17.996 1.00 0.00 H new ATOM 320 N ILE A 23 -1.286 -2.974 -14.010 1.00 0.00 N ATOM 321 CA ILE A 23 -0.962 -2.091 -12.897 1.00 0.00 C ATOM 322 C ILE A 23 -2.014 -2.183 -11.797 1.00 0.00 C ATOM 323 O ILE A 23 -2.109 -1.305 -10.939 1.00 0.00 O ATOM 324 CB ILE A 23 -0.843 -0.626 -13.356 1.00 0.00 C ATOM 325 CG1 ILE A 23 -2.165 -0.150 -13.962 1.00 0.00 C ATOM 326 CG2 ILE A 23 0.290 -0.476 -14.361 1.00 0.00 C ATOM 327 CD1 ILE A 23 -2.332 1.354 -13.942 1.00 0.00 C ATOM 0 H ILE A 23 -2.034 -2.634 -14.614 1.00 0.00 H new ATOM 0 HA ILE A 23 0.000 -2.420 -12.505 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.618 -0.006 -12.488 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.231 -0.501 -14.992 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.991 -0.607 -13.416 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.361 0.565 -14.676 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.229 -0.781 -13.899 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.092 -1.105 -15.229 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.291 1.620 -14.387 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.299 1.710 -12.912 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.527 1.817 -14.512 1.00 0.00 H new ATOM 339 N ASP A 24 -2.802 -3.253 -11.828 1.00 0.00 N ATOM 340 CA ASP A 24 -3.846 -3.462 -10.832 1.00 0.00 C ATOM 341 C ASP A 24 -3.299 -3.266 -9.421 1.00 0.00 C ATOM 342 O ASP A 24 -3.932 -2.623 -8.582 1.00 0.00 O ATOM 343 CB ASP A 24 -4.440 -4.864 -10.971 1.00 0.00 C ATOM 344 CG ASP A 24 -4.650 -5.263 -12.419 1.00 0.00 C ATOM 345 OD1 ASP A 24 -4.834 -4.360 -13.262 1.00 0.00 O ATOM 346 OD2 ASP A 24 -4.630 -6.477 -12.709 1.00 0.00 O ATOM 0 H ASP A 24 -2.737 -3.988 -12.532 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.630 -2.725 -11.004 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.778 -5.585 -10.491 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.393 -4.906 -10.444 1.00 0.00 H new ATOM 351 N LEU A 25 -2.121 -3.825 -9.166 1.00 0.00 N ATOM 352 CA LEU A 25 -1.489 -3.712 -7.856 1.00 0.00 C ATOM 353 C LEU A 25 -0.778 -2.371 -7.708 1.00 0.00 C ATOM 354 O LEU A 25 -0.989 -1.650 -6.733 1.00 0.00 O ATOM 355 CB LEU A 25 -0.493 -4.855 -7.649 1.00 0.00 C ATOM 356 CG LEU A 25 0.504 -4.678 -6.504 1.00 0.00 C ATOM 357 CD1 LEU A 25 -0.204 -4.768 -5.161 1.00 0.00 C ATOM 358 CD2 LEU A 25 1.612 -5.717 -6.595 1.00 0.00 C ATOM 0 H LEU A 25 -1.585 -4.361 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.269 -3.775 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.055 -5.773 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.067 -4.994 -8.574 1.00 0.00 H new ATOM 0 HG LEU A 25 0.953 -3.689 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.522 -4.640 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.960 -3.986 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.682 -5.743 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.312 -5.575 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.180 -6.716 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.139 -5.605 -7.543 1.00 0.00 H new ATOM 370 N MET A 26 0.063 -2.042 -8.683 1.00 0.00 N ATOM 371 CA MET A 26 0.802 -0.785 -8.662 1.00 0.00 C ATOM 372 C MET A 26 -0.151 0.406 -8.671 1.00 0.00 C ATOM 373 O MET A 26 -0.940 0.576 -9.601 1.00 0.00 O ATOM 374 CB MET A 26 1.748 -0.704 -9.862 1.00 0.00 C ATOM 375 CG MET A 26 2.883 -1.714 -9.809 1.00 0.00 C ATOM 376 SD MET A 26 4.044 -1.527 -11.176 1.00 0.00 S ATOM 377 CE MET A 26 3.124 -2.293 -12.509 1.00 0.00 C ATOM 0 H MET A 26 0.250 -2.628 -9.497 1.00 0.00 H new ATOM 0 HA MET A 26 1.388 -0.753 -7.744 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.176 -0.860 -10.777 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.168 0.300 -9.916 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.418 -1.604 -8.866 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.468 -2.722 -9.825 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.232 -1.697 -13.415 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.509 -3.297 -12.687 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.070 -2.351 -12.237 1.00 0.00 H new ATOM 387 N HIS A 27 -0.073 1.229 -7.629 1.00 0.00 N ATOM 388 CA HIS A 27 -0.929 2.405 -7.518 1.00 0.00 C ATOM 389 C HIS A 27 -0.383 3.555 -8.358 1.00 0.00 C ATOM 390 O HIS A 27 0.704 4.070 -8.094 1.00 0.00 O ATOM 391 CB HIS A 27 -1.049 2.837 -6.056 1.00 0.00 C ATOM 392 CG HIS A 27 -1.868 4.076 -5.864 1.00 0.00 C ATOM 393 ND1 HIS A 27 -3.174 4.054 -5.420 1.00 0.00 N ATOM 394 CD2 HIS A 27 -1.560 5.380 -6.056 1.00 0.00 C ATOM 395 CE1 HIS A 27 -3.633 5.290 -5.349 1.00 0.00 C ATOM 396 NE2 HIS A 27 -2.674 6.114 -5.729 1.00 0.00 N ATOM 0 H HIS A 27 0.574 1.103 -6.850 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.918 2.142 -7.894 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.493 2.025 -5.481 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.051 3.005 -5.652 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.614 5.771 -6.402 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.625 5.578 -5.034 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.748 7.130 -5.773 1.00 0.00 H new ATOM 405 N LYS A 28 -1.144 3.954 -9.371 1.00 0.00 N ATOM 406 CA LYS A 28 -0.739 5.044 -10.251 1.00 0.00 C ATOM 407 C LYS A 28 -1.149 6.394 -9.669 1.00 0.00 C ATOM 408 O LYS A 28 -2.312 6.607 -9.331 1.00 0.00 O ATOM 409 CB LYS A 28 -1.359 4.865 -11.638 1.00 0.00 C ATOM 410 CG LYS A 28 -1.110 6.038 -12.571 1.00 0.00 C ATOM 411 CD LYS A 28 -1.311 5.645 -14.026 1.00 0.00 C ATOM 412 CE LYS A 28 -1.693 6.845 -14.879 1.00 0.00 C ATOM 413 NZ LYS A 28 -0.495 7.574 -15.379 1.00 0.00 N ATOM 0 H LYS A 28 -2.046 3.538 -9.603 1.00 0.00 H new ATOM 0 HA LYS A 28 0.347 5.021 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.958 3.959 -12.092 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.434 4.719 -11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.785 6.856 -12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.094 6.407 -12.430 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.395 5.198 -14.413 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.090 4.885 -14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.295 6.512 -15.725 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.313 7.524 -14.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.798 8.385 -15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.067 7.914 -14.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.084 6.934 -15.959 1.00 0.00 H new ATOM 427 N GLY A 29 -0.185 7.303 -9.558 1.00 0.00 N ATOM 428 CA GLY A 29 -0.466 8.620 -9.019 1.00 0.00 C ATOM 429 C GLY A 29 0.609 9.098 -8.064 1.00 0.00 C ATOM 430 O GLY A 29 1.672 8.485 -7.958 1.00 0.00 O ATOM 0 H GLY A 29 0.786 7.150 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.562 9.332 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.425 8.600 -8.501 1.00 0.00 H new ATOM 434 N SER A 30 0.336 10.197 -7.368 1.00 0.00 N ATOM 435 CA SER A 30 1.291 10.761 -6.422 1.00 0.00 C ATOM 436 C SER A 30 0.958 10.334 -4.995 1.00 0.00 C ATOM 437 O SER A 30 -0.057 9.681 -4.751 1.00 0.00 O ATOM 438 CB SER A 30 1.300 12.287 -6.521 1.00 0.00 C ATOM 439 OG SER A 30 -0.009 12.815 -6.387 1.00 0.00 O ATOM 0 H SER A 30 -0.540 10.715 -7.442 1.00 0.00 H new ATOM 0 HA SER A 30 2.282 10.383 -6.675 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.944 12.701 -5.745 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.721 12.590 -7.480 1.00 0.00 H new ATOM 0 HG SER A 30 0.024 13.792 -6.452 1.00 0.00 H new ATOM 445 N PHE A 31 1.820 10.709 -4.056 1.00 0.00 N ATOM 446 CA PHE A 31 1.619 10.366 -2.653 1.00 0.00 C ATOM 447 C PHE A 31 0.325 10.977 -2.123 1.00 0.00 C ATOM 448 O PHE A 31 -0.451 10.313 -1.436 1.00 0.00 O ATOM 449 CB PHE A 31 2.804 10.847 -1.813 1.00 0.00 C ATOM 450 CG PHE A 31 2.615 10.644 -0.337 1.00 0.00 C ATOM 451 CD1 PHE A 31 2.562 9.368 0.200 1.00 0.00 C ATOM 452 CD2 PHE A 31 2.489 11.731 0.514 1.00 0.00 C ATOM 453 CE1 PHE A 31 2.388 9.179 1.558 1.00 0.00 C ATOM 454 CE2 PHE A 31 2.315 11.547 1.872 1.00 0.00 C ATOM 455 CZ PHE A 31 2.263 10.270 2.395 1.00 0.00 C ATOM 0 H PHE A 31 2.664 11.250 -4.241 1.00 0.00 H new ATOM 0 HA PHE A 31 1.546 9.281 -2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.703 10.319 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.970 11.907 -2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.658 8.511 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.527 12.732 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.350 8.179 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.220 12.402 2.525 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.125 10.125 3.456 1.00 0.00 H new ATOM 465 N GLU A 32 0.101 12.246 -2.447 1.00 0.00 N ATOM 466 CA GLU A 32 -1.098 12.947 -2.003 1.00 0.00 C ATOM 467 C GLU A 32 -2.318 12.033 -2.066 1.00 0.00 C ATOM 468 O GLU A 32 -2.961 11.764 -1.051 1.00 0.00 O ATOM 469 CB GLU A 32 -1.335 14.192 -2.861 1.00 0.00 C ATOM 470 CG GLU A 32 -2.518 15.029 -2.404 1.00 0.00 C ATOM 471 CD GLU A 32 -2.383 16.490 -2.788 1.00 0.00 C ATOM 472 OE1 GLU A 32 -1.406 17.131 -2.348 1.00 0.00 O ATOM 473 OE2 GLU A 32 -3.254 16.991 -3.530 1.00 0.00 O ATOM 0 H GLU A 32 0.734 12.810 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.947 13.251 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.437 14.809 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.495 13.886 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.433 14.626 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.618 14.950 -1.321 1.00 0.00 H new ATOM 480 N THR A 33 -2.632 11.557 -3.267 1.00 0.00 N ATOM 481 CA THR A 33 -3.775 10.674 -3.465 1.00 0.00 C ATOM 482 C THR A 33 -3.663 9.427 -2.596 1.00 0.00 C ATOM 483 O THR A 33 -4.625 9.026 -1.942 1.00 0.00 O ATOM 484 CB THR A 33 -3.908 10.249 -4.939 1.00 0.00 C ATOM 485 OG1 THR A 33 -2.631 9.857 -5.453 1.00 0.00 O ATOM 486 CG2 THR A 33 -4.473 11.384 -5.781 1.00 0.00 C ATOM 0 H THR A 33 -2.110 11.768 -4.118 1.00 0.00 H new ATOM 0 HA THR A 33 -4.663 11.236 -3.176 1.00 0.00 H new ATOM 0 HB THR A 33 -4.594 9.404 -4.990 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.942 10.019 -4.775 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.558 11.060 -6.818 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.458 11.660 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.808 12.246 -5.723 1.00 0.00 H new ATOM 494 N ALA A 34 -2.482 8.817 -2.594 1.00 0.00 N ATOM 495 CA ALA A 34 -2.244 7.617 -1.803 1.00 0.00 C ATOM 496 C ALA A 34 -2.954 7.696 -0.456 1.00 0.00 C ATOM 497 O ALA A 34 -3.319 6.675 0.127 1.00 0.00 O ATOM 498 CB ALA A 34 -0.750 7.405 -1.602 1.00 0.00 C ATOM 0 H ALA A 34 -1.676 9.135 -3.132 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.651 6.766 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.587 6.505 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.265 7.294 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.327 8.264 -1.081 1.00 0.00 H new ATOM 504 N LYS A 35 -3.148 8.916 0.035 1.00 0.00 N ATOM 505 CA LYS A 35 -3.815 9.130 1.313 1.00 0.00 C ATOM 506 C LYS A 35 -5.330 9.160 1.137 1.00 0.00 C ATOM 507 O LYS A 35 -6.061 8.490 1.865 1.00 0.00 O ATOM 508 CB LYS A 35 -3.339 10.439 1.947 1.00 0.00 C ATOM 509 CG LYS A 35 -2.118 10.275 2.835 1.00 0.00 C ATOM 510 CD LYS A 35 -1.747 11.580 3.520 1.00 0.00 C ATOM 511 CE LYS A 35 -1.054 12.535 2.560 1.00 0.00 C ATOM 512 NZ LYS A 35 -0.486 13.717 3.267 1.00 0.00 N ATOM 0 H LYS A 35 -2.852 9.772 -0.434 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.559 8.300 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.110 11.154 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.152 10.865 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.314 9.511 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.277 9.925 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.645 12.051 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.092 11.375 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.257 12.008 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.765 12.870 1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.022 14.344 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.250 14.235 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.211 13.399 3.970 1.00 0.00 H new ATOM 526 N GLU A 36 -5.794 9.941 0.166 1.00 0.00 N ATOM 527 CA GLU A 36 -7.222 10.057 -0.104 1.00 0.00 C ATOM 528 C GLU A 36 -7.818 8.700 -0.468 1.00 0.00 C ATOM 529 O GLU A 36 -8.902 8.342 -0.004 1.00 0.00 O ATOM 530 CB GLU A 36 -7.470 11.055 -1.236 1.00 0.00 C ATOM 531 CG GLU A 36 -7.373 10.441 -2.622 1.00 0.00 C ATOM 532 CD GLU A 36 -7.731 11.421 -3.722 1.00 0.00 C ATOM 533 OE1 GLU A 36 -7.138 12.520 -3.752 1.00 0.00 O ATOM 534 OE2 GLU A 36 -8.603 11.090 -4.552 1.00 0.00 O ATOM 0 H GLU A 36 -5.202 10.502 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.709 10.418 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.460 11.494 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.748 11.868 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.359 10.075 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.036 9.578 -2.680 1.00 0.00 H new ATOM 541 N CYS A 37 -7.104 7.951 -1.299 1.00 0.00 N ATOM 542 CA CYS A 37 -7.562 6.633 -1.727 1.00 0.00 C ATOM 543 C CYS A 37 -7.861 5.745 -0.524 1.00 0.00 C ATOM 544 O CYS A 37 -8.929 5.139 -0.437 1.00 0.00 O ATOM 545 CB CYS A 37 -6.511 5.970 -2.618 1.00 0.00 C ATOM 546 SG CYS A 37 -7.183 4.740 -3.761 1.00 0.00 S ATOM 0 H CYS A 37 -6.205 8.233 -1.691 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.482 6.762 -2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.998 6.741 -3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.763 5.492 -1.985 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.219 4.237 -4.473 1.00 0.00 H new ATOM 552 N GLY A 38 -6.910 5.670 0.402 1.00 0.00 N ATOM 553 CA GLY A 38 -7.090 4.852 1.586 1.00 0.00 C ATOM 554 C GLY A 38 -8.459 5.031 2.213 1.00 0.00 C ATOM 555 O GLY A 38 -9.062 4.069 2.686 1.00 0.00 O ATOM 0 H GLY A 38 -6.018 6.162 0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.948 3.803 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.323 5.104 2.318 1.00 0.00 H new ATOM 559 N GLN A 39 -8.948 6.267 2.217 1.00 0.00 N ATOM 560 CA GLN A 39 -10.253 6.569 2.792 1.00 0.00 C ATOM 561 C GLN A 39 -11.375 6.147 1.849 1.00 0.00 C ATOM 562 O GLN A 39 -12.380 5.581 2.278 1.00 0.00 O ATOM 563 CB GLN A 39 -10.365 8.063 3.100 1.00 0.00 C ATOM 564 CG GLN A 39 -9.735 8.460 4.426 1.00 0.00 C ATOM 565 CD GLN A 39 -9.591 9.961 4.578 1.00 0.00 C ATOM 566 OE1 GLN A 39 -8.760 10.565 3.736 1.00 0.00 O flip ATOM 567 NE2 GLN A 39 -10.220 10.573 5.442 1.00 0.00 N flip ATOM 0 H GLN A 39 -8.460 7.075 1.829 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.352 6.005 3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.889 8.627 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.418 8.346 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.343 8.073 5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.753 7.994 4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.848 10.069 6.068 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.113 11.583 5.531 1.00 0.00 H new ATOM 576 N MET A 40 -11.196 6.427 0.562 1.00 0.00 N ATOM 577 CA MET A 40 -12.193 6.075 -0.442 1.00 0.00 C ATOM 578 C MET A 40 -12.579 4.603 -0.333 1.00 0.00 C ATOM 579 O MET A 40 -13.740 4.273 -0.094 1.00 0.00 O ATOM 580 CB MET A 40 -11.662 6.373 -1.845 1.00 0.00 C ATOM 581 CG MET A 40 -11.587 7.857 -2.164 1.00 0.00 C ATOM 582 SD MET A 40 -13.179 8.541 -2.666 1.00 0.00 S ATOM 583 CE MET A 40 -13.708 9.320 -1.143 1.00 0.00 C ATOM 0 H MET A 40 -10.370 6.896 0.190 1.00 0.00 H new ATOM 0 HA MET A 40 -13.082 6.679 -0.262 1.00 0.00 H new ATOM 0 HB2 MET A 40 -10.668 5.937 -1.949 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.303 5.884 -2.579 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.225 8.395 -1.288 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.860 8.017 -2.960 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.739 9.039 -0.929 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.066 8.993 -0.325 1.00 0.00 H new ATOM 0 HE3 MET A 40 -13.642 10.403 -1.246 1.00 0.00 H new ATOM 593 N GLN A 41 -11.597 3.725 -0.511 1.00 0.00 N ATOM 594 CA GLN A 41 -11.836 2.288 -0.433 1.00 0.00 C ATOM 595 C GLN A 41 -11.685 1.788 1.000 1.00 0.00 C ATOM 596 O GLN A 41 -11.803 0.593 1.265 1.00 0.00 O ATOM 597 CB GLN A 41 -10.869 1.539 -1.352 1.00 0.00 C ATOM 598 CG GLN A 41 -10.942 1.983 -2.804 1.00 0.00 C ATOM 599 CD GLN A 41 -12.113 1.367 -3.544 1.00 0.00 C ATOM 600 OE1 GLN A 41 -12.959 2.076 -4.089 1.00 0.00 O ATOM 601 NE2 GLN A 41 -12.168 0.041 -3.566 1.00 0.00 N ATOM 0 H GLN A 41 -10.630 3.982 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.858 2.096 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.851 1.681 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.081 0.471 -1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.022 3.069 -2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.015 1.713 -3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.445 -0.507 -3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.934 -0.430 -4.048 1.00 0.00 H new ATOM 610 N ASN A 42 -11.424 2.711 1.919 1.00 0.00 N ATOM 611 CA ASN A 42 -11.257 2.363 3.326 1.00 0.00 C ATOM 612 C ASN A 42 -10.141 1.338 3.503 1.00 0.00 C ATOM 613 O ASN A 42 -10.279 0.379 4.264 1.00 0.00 O ATOM 614 CB ASN A 42 -12.566 1.814 3.896 1.00 0.00 C ATOM 615 CG ASN A 42 -13.781 2.552 3.369 1.00 0.00 C ATOM 616 OD1 ASN A 42 -14.049 3.688 3.760 1.00 0.00 O ATOM 617 ND2 ASN A 42 -14.525 1.907 2.478 1.00 0.00 N ATOM 0 H ASN A 42 -11.323 3.705 1.716 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.984 3.268 3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.651 0.756 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.544 1.886 4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.356 2.353 2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.265 0.966 2.182 1.00 0.00 H new ATOM 624 N LYS A 43 -9.036 1.547 2.797 1.00 0.00 N ATOM 625 CA LYS A 43 -7.894 0.643 2.876 1.00 0.00 C ATOM 626 C LYS A 43 -6.664 1.366 3.415 1.00 0.00 C ATOM 627 O LYS A 43 -6.392 2.508 3.044 1.00 0.00 O ATOM 628 CB LYS A 43 -7.589 0.051 1.499 1.00 0.00 C ATOM 629 CG LYS A 43 -8.742 -0.743 0.908 1.00 0.00 C ATOM 630 CD LYS A 43 -8.731 -0.696 -0.610 1.00 0.00 C ATOM 631 CE LYS A 43 -7.747 -1.701 -1.191 1.00 0.00 C ATOM 632 NZ LYS A 43 -6.334 -1.286 -0.968 1.00 0.00 N ATOM 0 H LYS A 43 -8.906 2.335 2.163 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.149 -0.164 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.327 0.859 0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.715 -0.596 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.680 -1.779 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.687 -0.345 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.732 -0.904 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.467 0.308 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.915 -2.678 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.929 -1.811 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.737 -1.660 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.274 -0.248 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.002 -1.660 -0.056 1.00 0.00 H new ATOM 646 N TRP A 44 -5.923 0.694 4.288 1.00 0.00 N ATOM 647 CA TRP A 44 -4.720 1.273 4.876 1.00 0.00 C ATOM 648 C TRP A 44 -3.722 1.668 3.794 1.00 0.00 C ATOM 649 O TRP A 44 -3.961 1.451 2.605 1.00 0.00 O ATOM 650 CB TRP A 44 -4.074 0.283 5.846 1.00 0.00 C ATOM 651 CG TRP A 44 -4.987 -0.142 6.956 1.00 0.00 C ATOM 652 CD1 TRP A 44 -5.652 -1.331 7.061 1.00 0.00 C ATOM 653 CD2 TRP A 44 -5.336 0.619 8.118 1.00 0.00 C ATOM 654 NE1 TRP A 44 -6.394 -1.354 8.218 1.00 0.00 N ATOM 655 CE2 TRP A 44 -6.216 -0.170 8.884 1.00 0.00 C ATOM 656 CE3 TRP A 44 -4.990 1.889 8.586 1.00 0.00 C ATOM 657 CZ2 TRP A 44 -6.754 0.271 10.090 1.00 0.00 C ATOM 658 CZ3 TRP A 44 -5.524 2.326 9.783 1.00 0.00 C ATOM 659 CH2 TRP A 44 -6.397 1.519 10.524 1.00 0.00 C ATOM 0 H TRP A 44 -6.134 -0.252 4.605 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.009 2.170 5.423 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.751 -0.599 5.293 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.180 0.736 6.274 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.602 -2.134 6.341 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.982 -2.127 8.530 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.317 2.518 8.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.428 -0.349 10.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.264 3.306 10.154 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.796 1.889 11.457 1.00 0.00 H new ATOM 670 N LEU A 45 -2.603 2.249 4.211 1.00 0.00 N ATOM 671 CA LEU A 45 -1.567 2.674 3.276 1.00 0.00 C ATOM 672 C LEU A 45 -0.224 2.040 3.626 1.00 0.00 C ATOM 673 O LEU A 45 0.114 1.886 4.799 1.00 0.00 O ATOM 674 CB LEU A 45 -1.441 4.199 3.283 1.00 0.00 C ATOM 675 CG LEU A 45 -0.191 4.772 2.614 1.00 0.00 C ATOM 676 CD1 LEU A 45 -0.169 4.421 1.134 1.00 0.00 C ATOM 677 CD2 LEU A 45 -0.127 6.280 2.807 1.00 0.00 C ATOM 0 H LEU A 45 -2.390 2.437 5.191 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.855 2.343 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.318 4.618 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.464 4.541 4.318 1.00 0.00 H new ATOM 0 HG LEU A 45 0.686 4.328 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.728 4.837 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.167 3.337 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.052 4.837 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.769 6.671 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.009 6.741 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.095 6.509 3.872 1.00 0.00 H new ATOM 689 N MET A 46 0.538 1.677 2.599 1.00 0.00 N ATOM 690 CA MET A 46 1.846 1.063 2.798 1.00 0.00 C ATOM 691 C MET A 46 2.909 1.765 1.960 1.00 0.00 C ATOM 692 O MET A 46 2.759 1.913 0.747 1.00 0.00 O ATOM 693 CB MET A 46 1.795 -0.423 2.439 1.00 0.00 C ATOM 694 CG MET A 46 2.875 -1.250 3.118 1.00 0.00 C ATOM 695 SD MET A 46 2.516 -1.568 4.856 1.00 0.00 S ATOM 696 CE MET A 46 1.334 -2.907 4.718 1.00 0.00 C ATOM 0 H MET A 46 0.273 1.797 1.622 1.00 0.00 H new ATOM 0 HA MET A 46 2.112 1.166 3.850 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.818 -0.821 2.713 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.892 -0.531 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.984 -2.199 2.594 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.830 -0.730 3.037 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.820 -3.038 5.670 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.606 -2.671 3.942 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.856 -3.828 4.458 1.00 0.00 H new ATOM 706 N ILE A 47 3.983 2.195 2.614 1.00 0.00 N ATOM 707 CA ILE A 47 5.071 2.881 1.928 1.00 0.00 C ATOM 708 C ILE A 47 6.322 2.011 1.876 1.00 0.00 C ATOM 709 O ILE A 47 6.639 1.304 2.831 1.00 0.00 O ATOM 710 CB ILE A 47 5.416 4.216 2.613 1.00 0.00 C ATOM 711 CG1 ILE A 47 4.175 5.108 2.695 1.00 0.00 C ATOM 712 CG2 ILE A 47 6.534 4.923 1.863 1.00 0.00 C ATOM 713 CD1 ILE A 47 3.659 5.550 1.344 1.00 0.00 C ATOM 0 H ILE A 47 4.123 2.080 3.618 1.00 0.00 H new ATOM 0 HA ILE A 47 4.728 3.081 0.913 1.00 0.00 H new ATOM 0 HB ILE A 47 5.759 4.009 3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.385 4.570 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.410 5.990 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.766 5.865 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.421 4.290 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.217 5.121 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.779 6.179 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.433 6.116 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.392 4.674 0.752 1.00 0.00 H new ATOM 725 N ASN A 48 7.031 2.070 0.753 1.00 0.00 N ATOM 726 CA ASN A 48 8.250 1.289 0.576 1.00 0.00 C ATOM 727 C ASN A 48 9.261 2.045 -0.280 1.00 0.00 C ATOM 728 O ASN A 48 9.054 2.238 -1.478 1.00 0.00 O ATOM 729 CB ASN A 48 7.926 -0.060 -0.069 1.00 0.00 C ATOM 730 CG ASN A 48 9.168 -0.783 -0.553 1.00 0.00 C ATOM 731 OD1 ASN A 48 9.308 -1.074 -1.741 1.00 0.00 O ATOM 732 ND2 ASN A 48 10.078 -1.076 0.369 1.00 0.00 N ATOM 0 H ASN A 48 6.782 2.651 -0.048 1.00 0.00 H new ATOM 0 HA ASN A 48 8.689 1.118 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.401 -0.687 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.249 0.095 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.935 -1.562 0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.920 -0.815 1.342 1.00 0.00 H new ATOM 739 N ILE A 49 10.356 2.468 0.343 1.00 0.00 N ATOM 740 CA ILE A 49 11.400 3.201 -0.362 1.00 0.00 C ATOM 741 C ILE A 49 12.482 2.258 -0.876 1.00 0.00 C ATOM 742 O ILE A 49 12.937 1.369 -0.157 1.00 0.00 O ATOM 743 CB ILE A 49 12.050 4.265 0.543 1.00 0.00 C ATOM 744 CG1 ILE A 49 11.003 5.280 1.006 1.00 0.00 C ATOM 745 CG2 ILE A 49 13.184 4.963 -0.192 1.00 0.00 C ATOM 746 CD1 ILE A 49 10.373 6.058 -0.129 1.00 0.00 C ATOM 0 H ILE A 49 10.543 2.316 1.334 1.00 0.00 H new ATOM 0 HA ILE A 49 10.922 3.697 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 49 12.463 3.771 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.220 4.757 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.469 5.979 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 49 13.634 5.712 0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 49 13.939 4.230 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.794 5.448 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.641 6.759 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 49 11.146 6.609 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.878 5.368 -0.812 1.00 0.00 H new ATOM 758 N GLN A 50 12.891 2.460 -2.125 1.00 0.00 N ATOM 759 CA GLN A 50 13.921 1.627 -2.734 1.00 0.00 C ATOM 760 C GLN A 50 15.153 2.455 -3.084 1.00 0.00 C ATOM 761 O GLN A 50 15.041 3.567 -3.596 1.00 0.00 O ATOM 762 CB GLN A 50 13.377 0.945 -3.991 1.00 0.00 C ATOM 763 CG GLN A 50 12.819 1.917 -5.018 1.00 0.00 C ATOM 764 CD GLN A 50 12.011 1.225 -6.098 1.00 0.00 C ATOM 765 OE1 GLN A 50 12.468 0.257 -6.707 1.00 0.00 O ATOM 766 NE2 GLN A 50 10.802 1.718 -6.341 1.00 0.00 N ATOM 0 H GLN A 50 12.525 3.192 -2.734 1.00 0.00 H new ATOM 0 HA GLN A 50 14.211 0.864 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.174 0.361 -4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.594 0.244 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.191 2.651 -4.514 1.00 0.00 H new ATOM 0 HG3 GLN A 50 13.641 2.464 -5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.463 2.522 -5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.212 1.293 -7.056 1.00 0.00 H new ATOM 775 N ASN A 51 16.329 1.903 -2.802 1.00 0.00 N ATOM 776 CA ASN A 51 17.584 2.591 -3.086 1.00 0.00 C ATOM 777 C ASN A 51 18.222 2.054 -4.363 1.00 0.00 C ATOM 778 O ASN A 51 18.711 0.925 -4.399 1.00 0.00 O ATOM 779 CB ASN A 51 18.553 2.433 -1.913 1.00 0.00 C ATOM 780 CG ASN A 51 17.835 2.280 -0.586 1.00 0.00 C ATOM 781 OD1 ASN A 51 17.032 3.130 -0.200 1.00 0.00 O ATOM 782 ND2 ASN A 51 18.122 1.193 0.120 1.00 0.00 N ATOM 0 H ASN A 51 16.439 0.982 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 51 17.365 3.649 -3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 51 19.186 1.562 -2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 51 19.211 3.301 -1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.670 1.036 1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 51 18.794 0.515 -0.239 1.00 0.00 H new ATOM 789 N VAL A 52 18.214 2.872 -5.411 1.00 0.00 N ATOM 790 CA VAL A 52 18.794 2.481 -6.691 1.00 0.00 C ATOM 791 C VAL A 52 20.263 2.105 -6.537 1.00 0.00 C ATOM 792 O VAL A 52 20.771 1.242 -7.252 1.00 0.00 O ATOM 793 CB VAL A 52 18.670 3.609 -7.731 1.00 0.00 C ATOM 794 CG1 VAL A 52 19.497 4.815 -7.313 1.00 0.00 C ATOM 795 CG2 VAL A 52 19.093 3.114 -9.106 1.00 0.00 C ATOM 0 H VAL A 52 17.812 3.810 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 52 18.235 1.613 -7.040 1.00 0.00 H new ATOM 0 HB VAL A 52 17.626 3.916 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 52 19.397 5.602 -8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 52 19.143 5.182 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.545 4.526 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 52 18.999 3.924 -9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 52 20.130 2.779 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 52 18.454 2.284 -9.406 1.00 0.00 H new ATOM 805 N GLN A 53 20.940 2.758 -5.598 1.00 0.00 N ATOM 806 CA GLN A 53 22.352 2.492 -5.350 1.00 0.00 C ATOM 807 C GLN A 53 22.535 1.178 -4.598 1.00 0.00 C ATOM 808 O GLN A 53 23.050 0.204 -5.147 1.00 0.00 O ATOM 809 CB GLN A 53 22.977 3.640 -4.554 1.00 0.00 C ATOM 810 CG GLN A 53 23.529 4.755 -5.427 1.00 0.00 C ATOM 811 CD GLN A 53 24.816 4.366 -6.126 1.00 0.00 C ATOM 812 OE1 GLN A 53 24.692 3.710 -7.274 1.00 0.00 O flip ATOM 813 NE2 GLN A 53 25.911 4.652 -5.640 1.00 0.00 N flip ATOM 0 H GLN A 53 20.534 3.475 -4.997 1.00 0.00 H new ATOM 0 HA GLN A 53 22.855 2.411 -6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 53 22.227 4.055 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 53 23.780 3.245 -3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 53 22.784 5.030 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 53 23.706 5.638 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 53 25.960 5.157 -4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 53 26.769 4.384 -6.122 1.00 0.00 H new ATOM 822 N ASP A 54 22.110 1.158 -3.340 1.00 0.00 N ATOM 823 CA ASP A 54 22.226 -0.037 -2.512 1.00 0.00 C ATOM 824 C ASP A 54 21.481 -1.210 -3.143 1.00 0.00 C ATOM 825 O ASP A 54 20.837 -1.063 -4.183 1.00 0.00 O ATOM 826 CB ASP A 54 21.681 0.233 -1.109 1.00 0.00 C ATOM 827 CG ASP A 54 22.711 0.879 -0.203 1.00 0.00 C ATOM 828 OD1 ASP A 54 22.934 2.101 -0.334 1.00 0.00 O ATOM 829 OD2 ASP A 54 23.293 0.163 0.638 1.00 0.00 O ATOM 0 H ASP A 54 21.682 1.956 -2.871 1.00 0.00 H new ATOM 0 HA ASP A 54 23.282 -0.297 -2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.807 0.880 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 54 21.348 -0.705 -0.665 1.00 0.00 H new ATOM 834 N PHE A 55 21.573 -2.373 -2.508 1.00 0.00 N ATOM 835 CA PHE A 55 20.909 -3.572 -3.009 1.00 0.00 C ATOM 836 C PHE A 55 19.847 -4.056 -2.026 1.00 0.00 C ATOM 837 O PHE A 55 18.801 -4.564 -2.427 1.00 0.00 O ATOM 838 CB PHE A 55 21.933 -4.681 -3.258 1.00 0.00 C ATOM 839 CG PHE A 55 22.600 -4.591 -4.601 1.00 0.00 C ATOM 840 CD1 PHE A 55 23.701 -3.772 -4.789 1.00 0.00 C ATOM 841 CD2 PHE A 55 22.125 -5.327 -5.675 1.00 0.00 C ATOM 842 CE1 PHE A 55 24.315 -3.687 -6.024 1.00 0.00 C ATOM 843 CE2 PHE A 55 22.736 -5.246 -6.912 1.00 0.00 C ATOM 844 CZ PHE A 55 23.833 -4.426 -7.087 1.00 0.00 C ATOM 0 H PHE A 55 22.100 -2.512 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 55 20.420 -3.320 -3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 55 22.695 -4.642 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.438 -5.648 -3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 55 24.084 -3.193 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 55 21.268 -5.971 -5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 55 25.172 -3.043 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.356 -5.824 -7.741 1.00 0.00 H new ATOM 0 HZ PHE A 55 24.313 -4.363 -8.052 1.00 0.00 H new ATOM 854 N ALA A 56 20.125 -3.894 -0.736 1.00 0.00 N ATOM 855 CA ALA A 56 19.194 -4.313 0.304 1.00 0.00 C ATOM 856 C ALA A 56 17.749 -4.097 -0.132 1.00 0.00 C ATOM 857 O ALA A 56 16.875 -4.915 0.155 1.00 0.00 O ATOM 858 CB ALA A 56 19.475 -3.561 1.597 1.00 0.00 C ATOM 0 H ALA A 56 20.987 -3.476 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 56 19.338 -5.380 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.772 -3.883 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 56 20.493 -3.770 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.361 -2.490 1.427 1.00 0.00 H new ATOM 864 N CYS A 57 17.505 -2.991 -0.827 1.00 0.00 N ATOM 865 CA CYS A 57 16.165 -2.666 -1.302 1.00 0.00 C ATOM 866 C CYS A 57 15.634 -3.762 -2.220 1.00 0.00 C ATOM 867 O CYS A 57 14.490 -4.197 -2.085 1.00 0.00 O ATOM 868 CB CYS A 57 16.173 -1.326 -2.038 1.00 0.00 C ATOM 869 SG CYS A 57 17.269 -1.280 -3.475 1.00 0.00 S ATOM 0 H CYS A 57 18.218 -2.304 -1.074 1.00 0.00 H new ATOM 0 HA CYS A 57 15.507 -2.592 -0.436 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.158 -1.095 -2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 57 16.472 -0.543 -1.341 1.00 0.00 H new ATOM 0 HG CYS A 57 17.959 -0.179 -3.459 1.00 0.00 H new ATOM 875 N GLN A 58 16.471 -4.202 -3.154 1.00 0.00 N ATOM 876 CA GLN A 58 16.084 -5.245 -4.096 1.00 0.00 C ATOM 877 C GLN A 58 16.029 -6.606 -3.409 1.00 0.00 C ATOM 878 O GLN A 58 15.191 -7.446 -3.740 1.00 0.00 O ATOM 879 CB GLN A 58 17.065 -5.292 -5.269 1.00 0.00 C ATOM 880 CG GLN A 58 18.285 -6.160 -5.007 1.00 0.00 C ATOM 881 CD GLN A 58 18.079 -7.601 -5.433 1.00 0.00 C ATOM 882 OE1 GLN A 58 18.259 -8.526 -4.498 1.00 0.00 O flip ATOM 883 NE2 GLN A 58 17.760 -7.879 -6.590 1.00 0.00 N flip ATOM 0 H GLN A 58 17.421 -3.852 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 58 15.089 -5.008 -4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 58 16.546 -5.666 -6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.393 -4.278 -5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 58 19.141 -5.747 -5.540 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.526 -6.130 -3.944 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.632 -7.135 -7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.624 -8.853 -6.861 1.00 0.00 H new ATOM 892 N CYS A 59 16.927 -6.817 -2.453 1.00 0.00 N ATOM 893 CA CYS A 59 16.981 -8.077 -1.720 1.00 0.00 C ATOM 894 C CYS A 59 15.661 -8.348 -1.007 1.00 0.00 C ATOM 895 O CYS A 59 15.227 -9.496 -0.895 1.00 0.00 O ATOM 896 CB CYS A 59 18.126 -8.052 -0.707 1.00 0.00 C ATOM 897 SG CYS A 59 18.376 -9.618 0.163 1.00 0.00 S ATOM 0 H CYS A 59 17.627 -6.132 -2.167 1.00 0.00 H new ATOM 0 HA CYS A 59 17.157 -8.879 -2.437 1.00 0.00 H new ATOM 0 HB2 CYS A 59 19.048 -7.784 -1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 59 17.932 -7.269 0.026 1.00 0.00 H new ATOM 0 HG CYS A 59 19.367 -9.498 0.996 1.00 0.00 H new ATOM 903 N LEU A 60 15.026 -7.286 -0.524 1.00 0.00 N ATOM 904 CA LEU A 60 13.755 -7.409 0.181 1.00 0.00 C ATOM 905 C LEU A 60 12.633 -7.789 -0.781 1.00 0.00 C ATOM 906 O LEU A 60 12.015 -8.844 -0.644 1.00 0.00 O ATOM 907 CB LEU A 60 13.412 -6.097 0.889 1.00 0.00 C ATOM 908 CG LEU A 60 14.086 -5.869 2.242 1.00 0.00 C ATOM 909 CD1 LEU A 60 14.279 -4.382 2.499 1.00 0.00 C ATOM 910 CD2 LEU A 60 13.270 -6.503 3.359 1.00 0.00 C ATOM 0 H LEU A 60 15.371 -6.330 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 60 13.856 -8.200 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.678 -5.271 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.332 -6.056 1.032 1.00 0.00 H new ATOM 0 HG LEU A 60 15.067 -6.344 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.760 -4.239 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 60 14.906 -3.956 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.309 -3.884 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.765 -6.330 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.275 -6.058 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.184 -7.575 3.183 1.00 0.00 H new ATOM 922 N ASN A 61 12.378 -6.922 -1.756 1.00 0.00 N ATOM 923 CA ASN A 61 11.332 -7.167 -2.742 1.00 0.00 C ATOM 924 C ASN A 61 11.479 -8.556 -3.357 1.00 0.00 C ATOM 925 O ASN A 61 10.521 -9.113 -3.893 1.00 0.00 O ATOM 926 CB ASN A 61 11.378 -6.103 -3.840 1.00 0.00 C ATOM 927 CG ASN A 61 10.331 -6.334 -4.913 1.00 0.00 C ATOM 928 OD1 ASN A 61 10.347 -7.354 -5.603 1.00 0.00 O ATOM 929 ND2 ASN A 61 9.414 -5.384 -5.058 1.00 0.00 N ATOM 0 H ASN A 61 12.881 -6.044 -1.884 1.00 0.00 H new ATOM 0 HA ASN A 61 10.369 -7.114 -2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.228 -5.119 -3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.368 -6.099 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.684 -5.483 -5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.440 -4.555 -4.464 1.00 0.00 H new ATOM 936 N ARG A 62 12.684 -9.109 -3.274 1.00 0.00 N ATOM 937 CA ARG A 62 12.957 -10.432 -3.822 1.00 0.00 C ATOM 938 C ARG A 62 11.826 -11.401 -3.493 1.00 0.00 C ATOM 939 O ARG A 62 11.158 -11.920 -4.388 1.00 0.00 O ATOM 940 CB ARG A 62 14.280 -10.971 -3.276 1.00 0.00 C ATOM 941 CG ARG A 62 14.621 -12.367 -3.772 1.00 0.00 C ATOM 942 CD ARG A 62 16.109 -12.654 -3.650 1.00 0.00 C ATOM 943 NE ARG A 62 16.842 -12.265 -4.852 1.00 0.00 N ATOM 944 CZ ARG A 62 18.002 -12.804 -5.212 1.00 0.00 C ATOM 945 NH1 ARG A 62 18.557 -13.750 -4.467 1.00 0.00 N ATOM 946 NH2 ARG A 62 18.608 -12.397 -6.320 1.00 0.00 N ATOM 0 H ARG A 62 13.487 -8.661 -2.832 1.00 0.00 H new ATOM 0 HA ARG A 62 13.030 -10.340 -4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.083 -10.289 -3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.236 -10.982 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.059 -13.105 -3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.314 -12.470 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.512 -12.119 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.259 -13.717 -3.462 1.00 0.00 H new ATOM 0 HE ARG A 62 16.442 -11.540 -5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.093 -14.066 -3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.447 -14.162 -4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.183 -11.670 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.498 -12.811 -6.596 1.00 0.00 H new ATOM 960 N ASP A 63 11.616 -11.641 -2.203 1.00 0.00 N ATOM 961 CA ASP A 63 10.565 -12.548 -1.755 1.00 0.00 C ATOM 962 C ASP A 63 9.537 -11.809 -0.904 1.00 0.00 C ATOM 963 O ASP A 63 8.351 -12.140 -0.917 1.00 0.00 O ATOM 964 CB ASP A 63 11.167 -13.706 -0.957 1.00 0.00 C ATOM 965 CG ASP A 63 12.007 -14.627 -1.820 1.00 0.00 C ATOM 966 OD1 ASP A 63 11.702 -14.755 -3.024 1.00 0.00 O ATOM 967 OD2 ASP A 63 12.970 -15.220 -1.290 1.00 0.00 O ATOM 0 H ASP A 63 12.159 -11.220 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 63 10.063 -12.947 -2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.782 -13.307 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.365 -14.279 -0.492 1.00 0.00 H new ATOM 972 N VAL A 64 9.999 -10.806 -0.164 1.00 0.00 N ATOM 973 CA VAL A 64 9.120 -10.020 0.693 1.00 0.00 C ATOM 974 C VAL A 64 8.006 -9.365 -0.116 1.00 0.00 C ATOM 975 O VAL A 64 6.838 -9.735 0.004 1.00 0.00 O ATOM 976 CB VAL A 64 9.901 -8.928 1.449 1.00 0.00 C ATOM 977 CG1 VAL A 64 8.965 -8.114 2.329 1.00 0.00 C ATOM 978 CG2 VAL A 64 11.019 -9.548 2.274 1.00 0.00 C ATOM 0 H VAL A 64 10.977 -10.519 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 64 8.684 -10.710 1.416 1.00 0.00 H new ATOM 0 HB VAL A 64 10.350 -8.255 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.535 -7.348 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.204 -7.639 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.484 -8.771 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.560 -8.763 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.594 -10.244 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.704 -10.082 1.615 1.00 0.00 H new ATOM 988 N TRP A 65 8.375 -8.391 -0.939 1.00 0.00 N ATOM 989 CA TRP A 65 7.407 -7.683 -1.769 1.00 0.00 C ATOM 990 C TRP A 65 7.138 -8.446 -3.062 1.00 0.00 C ATOM 991 O TRP A 65 6.620 -7.886 -4.028 1.00 0.00 O ATOM 992 CB TRP A 65 7.910 -6.275 -2.089 1.00 0.00 C ATOM 993 CG TRP A 65 8.483 -5.565 -0.899 1.00 0.00 C ATOM 994 CD1 TRP A 65 9.758 -5.096 -0.761 1.00 0.00 C ATOM 995 CD2 TRP A 65 7.802 -5.246 0.319 1.00 0.00 C ATOM 996 NE1 TRP A 65 9.910 -4.504 0.470 1.00 0.00 N ATOM 997 CE2 TRP A 65 8.724 -4.583 1.151 1.00 0.00 C ATOM 998 CE3 TRP A 65 6.501 -5.454 0.787 1.00 0.00 C ATOM 999 CZ2 TRP A 65 8.387 -4.129 2.423 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 6.168 -5.004 2.050 1.00 0.00 C ATOM 1001 CH2 TRP A 65 7.107 -4.346 2.856 1.00 0.00 C ATOM 0 H TRP A 65 9.338 -8.073 -1.050 1.00 0.00 H new ATOM 0 HA TRP A 65 6.474 -7.609 -1.211 1.00 0.00 H new ATOM 0 HB2 TRP A 65 8.670 -6.337 -2.867 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.087 -5.686 -2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 65 10.533 -5.178 -1.509 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.767 -4.075 0.820 1.00 0.00 H new ATOM 0 HE3 TRP A 65 5.770 -5.957 0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 9.110 -3.623 3.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.167 -5.162 2.423 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.815 -4.004 3.838 1.00 0.00 H new ATOM 1012 N SER A 66 7.493 -9.727 -3.073 1.00 0.00 N ATOM 1013 CA SER A 66 7.294 -10.565 -4.250 1.00 0.00 C ATOM 1014 C SER A 66 6.237 -11.633 -3.983 1.00 0.00 C ATOM 1015 O SER A 66 5.452 -11.978 -4.864 1.00 0.00 O ATOM 1016 CB SER A 66 8.611 -11.226 -4.661 1.00 0.00 C ATOM 1017 OG SER A 66 8.395 -12.230 -5.638 1.00 0.00 O ATOM 0 H SER A 66 7.920 -10.207 -2.281 1.00 0.00 H new ATOM 0 HA SER A 66 6.946 -9.929 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.293 -10.472 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.091 -11.663 -3.785 1.00 0.00 H new ATOM 0 HG SER A 66 9.257 -12.524 -6.001 1.00 0.00 H new ATOM 1023 N ASN A 67 6.226 -12.152 -2.760 1.00 0.00 N ATOM 1024 CA ASN A 67 5.267 -13.182 -2.375 1.00 0.00 C ATOM 1025 C ASN A 67 3.839 -12.732 -2.668 1.00 0.00 C ATOM 1026 O ASN A 67 3.311 -11.839 -2.006 1.00 0.00 O ATOM 1027 CB ASN A 67 5.414 -13.515 -0.889 1.00 0.00 C ATOM 1028 CG ASN A 67 5.005 -14.941 -0.573 1.00 0.00 C ATOM 1029 OD1 ASN A 67 3.831 -15.224 -0.336 1.00 0.00 O ATOM 1030 ND2 ASN A 67 5.976 -15.847 -0.569 1.00 0.00 N ATOM 0 H ASN A 67 6.870 -11.877 -2.018 1.00 0.00 H new ATOM 0 HA ASN A 67 5.475 -14.076 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.450 -13.361 -0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.805 -12.827 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.762 -16.823 -0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.936 -15.567 -0.771 1.00 0.00 H new ATOM 1037 N GLU A 68 3.220 -13.357 -3.665 1.00 0.00 N ATOM 1038 CA GLU A 68 1.853 -13.020 -4.045 1.00 0.00 C ATOM 1039 C GLU A 68 1.010 -12.696 -2.815 1.00 0.00 C ATOM 1040 O GLU A 68 0.403 -11.630 -2.730 1.00 0.00 O ATOM 1041 CB GLU A 68 1.218 -14.175 -4.823 1.00 0.00 C ATOM 1042 CG GLU A 68 -0.113 -13.817 -5.464 1.00 0.00 C ATOM 1043 CD GLU A 68 -0.901 -15.039 -5.893 1.00 0.00 C ATOM 1044 OE1 GLU A 68 -0.552 -15.637 -6.932 1.00 0.00 O ATOM 1045 OE2 GLU A 68 -1.867 -15.399 -5.187 1.00 0.00 O ATOM 0 H GLU A 68 3.643 -14.098 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 68 1.887 -12.137 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.909 -14.503 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.072 -15.019 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.707 -13.235 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.065 -13.181 -6.331 1.00 0.00 H new ATOM 1052 N ALA A 69 0.978 -13.625 -1.866 1.00 0.00 N ATOM 1053 CA ALA A 69 0.212 -13.439 -0.640 1.00 0.00 C ATOM 1054 C ALA A 69 0.415 -12.038 -0.073 1.00 0.00 C ATOM 1055 O ALA A 69 -0.547 -11.354 0.278 1.00 0.00 O ATOM 1056 CB ALA A 69 0.600 -14.489 0.390 1.00 0.00 C ATOM 0 H ALA A 69 1.474 -14.515 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.845 -13.556 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.020 -14.338 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.396 -15.483 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.662 -14.400 0.618 1.00 0.00 H new ATOM 1062 N VAL A 70 1.673 -11.617 0.015 1.00 0.00 N ATOM 1063 CA VAL A 70 2.002 -10.297 0.539 1.00 0.00 C ATOM 1064 C VAL A 70 1.380 -9.196 -0.313 1.00 0.00 C ATOM 1065 O VAL A 70 0.865 -8.207 0.209 1.00 0.00 O ATOM 1066 CB VAL A 70 3.526 -10.082 0.602 1.00 0.00 C ATOM 1067 CG1 VAL A 70 3.848 -8.687 1.116 1.00 0.00 C ATOM 1068 CG2 VAL A 70 4.177 -11.145 1.475 1.00 0.00 C ATOM 0 H VAL A 70 2.481 -12.171 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 70 1.593 -10.247 1.548 1.00 0.00 H new ATOM 0 HB VAL A 70 3.931 -10.173 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.929 -8.554 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.414 -7.944 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.432 -8.563 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.254 -10.979 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.769 -11.087 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.975 -12.132 1.058 1.00 0.00 H new ATOM 1078 N LYS A 71 1.430 -9.375 -1.629 1.00 0.00 N ATOM 1079 CA LYS A 71 0.870 -8.398 -2.556 1.00 0.00 C ATOM 1080 C LYS A 71 -0.642 -8.289 -2.383 1.00 0.00 C ATOM 1081 O LYS A 71 -1.191 -7.190 -2.325 1.00 0.00 O ATOM 1082 CB LYS A 71 1.203 -8.785 -3.999 1.00 0.00 C ATOM 1083 CG LYS A 71 2.675 -8.642 -4.343 1.00 0.00 C ATOM 1084 CD LYS A 71 3.001 -9.290 -5.678 1.00 0.00 C ATOM 1085 CE LYS A 71 4.328 -8.791 -6.230 1.00 0.00 C ATOM 1086 NZ LYS A 71 4.524 -9.194 -7.650 1.00 0.00 N ATOM 0 H LYS A 71 1.853 -10.188 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 71 1.314 -7.427 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.897 -9.817 -4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.618 -8.164 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.941 -7.585 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.279 -9.099 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.039 -10.373 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.205 -9.076 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.368 -7.705 -6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.144 -9.185 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.439 -8.835 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.511 -10.231 -7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.759 -8.797 -8.232 1.00 0.00 H new ATOM 1100 N ASN A 72 -1.308 -9.436 -2.301 1.00 0.00 N ATOM 1101 CA ASN A 72 -2.756 -9.468 -2.134 1.00 0.00 C ATOM 1102 C ASN A 72 -3.170 -8.777 -0.838 1.00 0.00 C ATOM 1103 O ASN A 72 -4.276 -8.246 -0.732 1.00 0.00 O ATOM 1104 CB ASN A 72 -3.259 -10.914 -2.137 1.00 0.00 C ATOM 1105 CG ASN A 72 -2.854 -11.664 -3.391 1.00 0.00 C ATOM 1106 OD1 ASN A 72 -2.656 -11.066 -4.449 1.00 0.00 O ATOM 1107 ND2 ASN A 72 -2.729 -12.981 -3.277 1.00 0.00 N ATOM 0 H ASN A 72 -0.868 -10.355 -2.347 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.205 -8.932 -2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.867 -11.434 -1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.345 -10.918 -2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.459 -13.540 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.903 -13.434 -2.380 1.00 0.00 H new ATOM 1114 N ILE A 73 -2.274 -8.787 0.143 1.00 0.00 N ATOM 1115 CA ILE A 73 -2.546 -8.159 1.430 1.00 0.00 C ATOM 1116 C ILE A 73 -2.199 -6.674 1.402 1.00 0.00 C ATOM 1117 O ILE A 73 -2.952 -5.841 1.909 1.00 0.00 O ATOM 1118 CB ILE A 73 -1.756 -8.837 2.565 1.00 0.00 C ATOM 1119 CG1 ILE A 73 -2.184 -10.299 2.711 1.00 0.00 C ATOM 1120 CG2 ILE A 73 -1.958 -8.087 3.873 1.00 0.00 C ATOM 1121 CD1 ILE A 73 -1.260 -11.114 3.588 1.00 0.00 C ATOM 0 H ILE A 73 -1.354 -9.223 0.071 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.613 -8.277 1.619 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.695 -8.812 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.191 -10.335 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.231 -10.756 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.393 -8.579 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.609 -7.061 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.017 -8.084 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.625 -12.140 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.256 -11.109 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.232 -10.681 4.588 1.00 0.00 H new ATOM 1133 N ILE A 74 -1.058 -6.350 0.805 1.00 0.00 N ATOM 1134 CA ILE A 74 -0.613 -4.965 0.708 1.00 0.00 C ATOM 1135 C ILE A 74 -1.435 -4.195 -0.320 1.00 0.00 C ATOM 1136 O ILE A 74 -1.411 -2.965 -0.353 1.00 0.00 O ATOM 1137 CB ILE A 74 0.877 -4.877 0.327 1.00 0.00 C ATOM 1138 CG1 ILE A 74 1.743 -5.499 1.425 1.00 0.00 C ATOM 1139 CG2 ILE A 74 1.277 -3.430 0.085 1.00 0.00 C ATOM 1140 CD1 ILE A 74 3.211 -5.575 1.065 1.00 0.00 C ATOM 0 H ILE A 74 -0.424 -7.027 0.381 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.755 -4.518 1.692 1.00 0.00 H new ATOM 0 HB ILE A 74 1.035 -5.436 -0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.631 -4.916 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.377 -6.503 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.332 -3.384 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.678 -3.018 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.108 -2.849 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.765 -6.026 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.335 -6.183 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.592 -4.571 0.878 1.00 0.00 H new ATOM 1152 N ARG A 75 -2.163 -4.928 -1.157 1.00 0.00 N ATOM 1153 CA ARG A 75 -2.993 -4.313 -2.185 1.00 0.00 C ATOM 1154 C ARG A 75 -4.424 -4.125 -1.689 1.00 0.00 C ATOM 1155 O ARG A 75 -5.089 -3.151 -2.040 1.00 0.00 O ATOM 1156 CB ARG A 75 -2.990 -5.171 -3.452 1.00 0.00 C ATOM 1157 CG ARG A 75 -3.981 -6.323 -3.410 1.00 0.00 C ATOM 1158 CD ARG A 75 -4.001 -7.088 -4.724 1.00 0.00 C ATOM 1159 NE ARG A 75 -2.777 -7.857 -4.928 1.00 0.00 N ATOM 1160 CZ ARG A 75 -2.638 -8.782 -5.872 1.00 0.00 C ATOM 1161 NH1 ARG A 75 -3.643 -9.051 -6.694 1.00 0.00 N ATOM 1162 NH2 ARG A 75 -1.492 -9.440 -5.995 1.00 0.00 N ATOM 0 H ARG A 75 -2.194 -5.947 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.575 -3.333 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.218 -4.538 -4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.988 -5.570 -3.608 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.719 -7.000 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.978 -5.939 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.858 -7.761 -4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.131 -6.388 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.985 -7.674 -4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.525 -8.547 -6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.534 -9.761 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.717 -9.236 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.387 -10.150 -6.720 1.00 0.00 H new ATOM 1176 N GLU A 76 -4.890 -5.065 -0.872 1.00 0.00 N ATOM 1177 CA GLU A 76 -6.242 -5.002 -0.329 1.00 0.00 C ATOM 1178 C GLU A 76 -6.259 -4.257 1.002 1.00 0.00 C ATOM 1179 O GLU A 76 -6.802 -3.156 1.103 1.00 0.00 O ATOM 1180 CB GLU A 76 -6.806 -6.412 -0.144 1.00 0.00 C ATOM 1181 CG GLU A 76 -8.325 -6.461 -0.118 1.00 0.00 C ATOM 1182 CD GLU A 76 -8.861 -7.873 0.014 1.00 0.00 C ATOM 1183 OE1 GLU A 76 -8.344 -8.626 0.866 1.00 0.00 O ATOM 1184 OE2 GLU A 76 -9.796 -8.226 -0.734 1.00 0.00 O ATOM 0 H GLU A 76 -4.352 -5.878 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.867 -4.458 -1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.444 -7.048 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.421 -6.829 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.690 -5.859 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.715 -6.012 -1.032 1.00 0.00 H new ATOM 1191 N HIS A 77 -5.662 -4.864 2.023 1.00 0.00 N ATOM 1192 CA HIS A 77 -5.609 -4.259 3.348 1.00 0.00 C ATOM 1193 C HIS A 77 -4.947 -2.885 3.292 1.00 0.00 C ATOM 1194 O HIS A 77 -5.389 -1.944 3.952 1.00 0.00 O ATOM 1195 CB HIS A 77 -4.848 -5.166 4.316 1.00 0.00 C ATOM 1196 CG HIS A 77 -5.577 -6.431 4.650 1.00 0.00 C ATOM 1197 ND1 HIS A 77 -5.280 -7.722 4.374 1.00 0.00 N flip ATOM 1198 CD2 HIS A 77 -6.765 -6.453 5.349 1.00 0.00 C flip ATOM 1199 CE1 HIS A 77 -6.283 -8.494 4.908 1.00 0.00 C flip ATOM 1200 NE2 HIS A 77 -7.166 -7.704 5.491 1.00 0.00 N flip ATOM 0 H HIS A 77 -5.208 -5.775 1.957 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.631 -4.136 3.705 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.881 -5.418 3.881 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.650 -4.617 5.236 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.286 -5.584 5.722 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.340 -9.571 4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -8.014 -8.008 5.970 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.885 -2.778 2.501 1.00 0.00 N ATOM 1210 CA PHE A 78 -3.160 -1.520 2.360 1.00 0.00 C ATOM 1211 C PHE A 78 -3.065 -1.109 0.894 1.00 0.00 C ATOM 1212 O PHE A 78 -3.516 -1.832 0.005 1.00 0.00 O ATOM 1213 CB PHE A 78 -1.758 -1.645 2.959 1.00 0.00 C ATOM 1214 CG PHE A 78 -1.741 -2.286 4.317 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -1.990 -3.641 4.462 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -1.476 -1.532 5.450 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -1.975 -4.234 5.711 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -1.459 -2.120 6.701 1.00 0.00 C ATOM 1219 CZ PHE A 78 -1.710 -3.472 6.831 1.00 0.00 C ATOM 0 H PHE A 78 -3.507 -3.547 1.948 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.710 -0.749 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.133 -2.229 2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.312 -0.653 3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.198 -4.242 3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.281 -0.474 5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.170 -5.292 5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.250 -1.523 7.576 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.699 -3.932 7.808 1.00 0.00 H new ATOM 1229 N ILE A 79 -2.475 0.056 0.650 1.00 0.00 N ATOM 1230 CA ILE A 79 -2.320 0.564 -0.708 1.00 0.00 C ATOM 1231 C ILE A 79 -0.886 0.391 -1.199 1.00 0.00 C ATOM 1232 O ILE A 79 0.025 1.084 -0.745 1.00 0.00 O ATOM 1233 CB ILE A 79 -2.706 2.052 -0.800 1.00 0.00 C ATOM 1234 CG1 ILE A 79 -4.182 2.241 -0.444 1.00 0.00 C ATOM 1235 CG2 ILE A 79 -2.419 2.588 -2.195 1.00 0.00 C ATOM 1236 CD1 ILE A 79 -5.129 1.791 -1.535 1.00 0.00 C ATOM 0 H ILE A 79 -2.096 0.666 1.375 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.991 -0.017 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.104 2.614 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.401 1.686 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.363 3.294 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.697 3.641 -2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.356 2.483 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.998 2.025 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.158 1.954 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.937 2.363 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.975 0.731 -1.736 1.00 0.00 H new ATOM 1248 N PHE A 80 -0.694 -0.537 -2.130 1.00 0.00 N ATOM 1249 CA PHE A 80 0.629 -0.801 -2.684 1.00 0.00 C ATOM 1250 C PHE A 80 1.260 0.480 -3.221 1.00 0.00 C ATOM 1251 O PHE A 80 0.795 1.046 -4.211 1.00 0.00 O ATOM 1252 CB PHE A 80 0.539 -1.845 -3.799 1.00 0.00 C ATOM 1253 CG PHE A 80 1.853 -2.505 -4.110 1.00 0.00 C ATOM 1254 CD1 PHE A 80 2.393 -3.443 -3.246 1.00 0.00 C ATOM 1255 CD2 PHE A 80 2.546 -2.187 -5.267 1.00 0.00 C ATOM 1256 CE1 PHE A 80 3.601 -4.051 -3.529 1.00 0.00 C ATOM 1257 CE2 PHE A 80 3.755 -2.792 -5.555 1.00 0.00 C ATOM 1258 CZ PHE A 80 4.283 -3.726 -4.686 1.00 0.00 C ATOM 0 H PHE A 80 -1.437 -1.119 -2.517 1.00 0.00 H new ATOM 0 HA PHE A 80 1.260 -1.187 -1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.184 -2.609 -3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.158 -1.368 -4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.864 -3.702 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.137 -1.458 -5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.012 -4.780 -2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.286 -2.534 -6.459 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.227 -4.201 -4.910 1.00 0.00 H new ATOM 1268 N TRP A 81 2.319 0.933 -2.560 1.00 0.00 N ATOM 1269 CA TRP A 81 3.014 2.148 -2.970 1.00 0.00 C ATOM 1270 C TRP A 81 4.523 1.989 -2.822 1.00 0.00 C ATOM 1271 O TRP A 81 5.017 1.663 -1.743 1.00 0.00 O ATOM 1272 CB TRP A 81 2.530 3.340 -2.143 1.00 0.00 C ATOM 1273 CG TRP A 81 2.604 4.643 -2.879 1.00 0.00 C ATOM 1274 CD1 TRP A 81 1.717 5.113 -3.806 1.00 0.00 C ATOM 1275 CD2 TRP A 81 3.621 5.643 -2.752 1.00 0.00 C ATOM 1276 NE1 TRP A 81 2.122 6.344 -4.262 1.00 0.00 N ATOM 1277 CE2 TRP A 81 3.286 6.692 -3.631 1.00 0.00 C ATOM 1278 CE3 TRP A 81 4.780 5.755 -1.980 1.00 0.00 C ATOM 1279 CZ2 TRP A 81 4.071 7.835 -3.757 1.00 0.00 C ATOM 1280 CZ3 TRP A 81 5.558 6.890 -2.107 1.00 0.00 C ATOM 1281 CH2 TRP A 81 5.201 7.919 -2.990 1.00 0.00 C ATOM 0 H TRP A 81 2.715 0.477 -1.738 1.00 0.00 H new ATOM 0 HA TRP A 81 2.789 2.329 -4.021 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.500 3.164 -1.833 1.00 0.00 H new ATOM 0 HB3 TRP A 81 3.128 3.410 -1.235 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.828 4.593 -4.132 1.00 0.00 H new ATOM 0 HE1 TRP A 81 1.634 6.908 -4.958 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.063 4.968 -1.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 3.797 8.628 -4.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.457 6.986 -1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 81 5.829 8.794 -3.066 1.00 0.00 H new ATOM 1292 N GLN A 82 5.248 2.223 -3.910 1.00 0.00 N ATOM 1293 CA GLN A 82 6.702 2.105 -3.899 1.00 0.00 C ATOM 1294 C GLN A 82 7.336 3.099 -4.867 1.00 0.00 C ATOM 1295 O GLN A 82 7.025 3.106 -6.058 1.00 0.00 O ATOM 1296 CB GLN A 82 7.121 0.680 -4.265 1.00 0.00 C ATOM 1297 CG GLN A 82 8.627 0.498 -4.370 1.00 0.00 C ATOM 1298 CD GLN A 82 9.045 -0.958 -4.301 1.00 0.00 C ATOM 1299 OE1 GLN A 82 8.204 -1.853 -4.211 1.00 0.00 O ATOM 1300 NE2 GLN A 82 10.349 -1.202 -4.343 1.00 0.00 N ATOM 0 H GLN A 82 4.853 2.495 -4.810 1.00 0.00 H new ATOM 0 HA GLN A 82 7.053 2.332 -2.892 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.731 -0.009 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.663 0.408 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.977 0.928 -5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.113 1.050 -3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.010 -0.429 -4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.690 -2.162 -4.300 1.00 0.00 H new ATOM 1309 N VAL A 83 8.227 3.937 -4.347 1.00 0.00 N ATOM 1310 CA VAL A 83 8.905 4.935 -5.165 1.00 0.00 C ATOM 1311 C VAL A 83 10.364 5.089 -4.747 1.00 0.00 C ATOM 1312 O VAL A 83 10.705 4.922 -3.576 1.00 0.00 O ATOM 1313 CB VAL A 83 8.209 6.306 -5.072 1.00 0.00 C ATOM 1314 CG1 VAL A 83 6.796 6.226 -5.629 1.00 0.00 C ATOM 1315 CG2 VAL A 83 8.196 6.799 -3.633 1.00 0.00 C ATOM 0 H VAL A 83 8.496 3.944 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 83 8.860 4.583 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 83 8.771 7.021 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.320 7.204 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.834 5.919 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.220 5.498 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.701 7.769 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.658 6.086 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.220 6.896 -3.273 1.00 0.00 H new ATOM 1325 N TYR A 84 11.219 5.408 -5.712 1.00 0.00 N ATOM 1326 CA TYR A 84 12.642 5.583 -5.444 1.00 0.00 C ATOM 1327 C TYR A 84 12.898 6.881 -4.684 1.00 0.00 C ATOM 1328 O TYR A 84 12.101 7.818 -4.746 1.00 0.00 O ATOM 1329 CB TYR A 84 13.432 5.581 -6.754 1.00 0.00 C ATOM 1330 CG TYR A 84 13.608 4.204 -7.353 1.00 0.00 C ATOM 1331 CD1 TYR A 84 12.573 3.589 -8.046 1.00 0.00 C ATOM 1332 CD2 TYR A 84 14.810 3.518 -7.227 1.00 0.00 C ATOM 1333 CE1 TYR A 84 12.729 2.331 -8.595 1.00 0.00 C ATOM 1334 CE2 TYR A 84 14.975 2.260 -7.773 1.00 0.00 C ATOM 1335 CZ TYR A 84 13.932 1.671 -8.456 1.00 0.00 C ATOM 1336 OH TYR A 84 14.091 0.418 -9.002 1.00 0.00 O ATOM 0 H TYR A 84 10.952 5.551 -6.686 1.00 0.00 H new ATOM 0 HA TYR A 84 12.975 4.750 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.923 6.220 -7.476 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.414 6.019 -6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.630 4.103 -8.158 1.00 0.00 H new ATOM 0 HD2 TYR A 84 15.629 3.976 -6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.914 1.867 -9.130 1.00 0.00 H new ATOM 0 HE2 TYR A 84 15.916 1.741 -7.666 1.00 0.00 H new ATOM 0 HH TYR A 84 13.551 -0.228 -8.501 1.00 0.00 H new ATOM 1346 N HIS A 85 14.017 6.928 -3.968 1.00 0.00 N ATOM 1347 CA HIS A 85 14.381 8.111 -3.196 1.00 0.00 C ATOM 1348 C HIS A 85 14.772 9.263 -4.118 1.00 0.00 C ATOM 1349 O HIS A 85 14.222 10.360 -4.024 1.00 0.00 O ATOM 1350 CB HIS A 85 15.534 7.791 -2.245 1.00 0.00 C ATOM 1351 CG HIS A 85 16.804 7.420 -2.946 1.00 0.00 C ATOM 1352 ND1 HIS A 85 17.066 6.146 -3.406 1.00 0.00 N ATOM 1353 CD2 HIS A 85 17.888 8.164 -3.268 1.00 0.00 C ATOM 1354 CE1 HIS A 85 18.256 6.123 -3.978 1.00 0.00 C ATOM 1355 NE2 HIS A 85 18.776 7.336 -3.908 1.00 0.00 N ATOM 0 H HIS A 85 14.687 6.161 -3.906 1.00 0.00 H new ATOM 0 HA HIS A 85 13.512 8.414 -2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.720 8.656 -1.608 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.237 6.971 -1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.028 9.214 -3.060 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.725 5.260 -4.427 1.00 0.00 H new ATOM 0 HE2 HIS A 85 19.689 7.612 -4.271 1.00 0.00 H new ATOM 1364 N ASP A 86 15.724 9.004 -5.008 1.00 0.00 N ATOM 1365 CA ASP A 86 16.188 10.019 -5.947 1.00 0.00 C ATOM 1366 C ASP A 86 15.009 10.732 -6.603 1.00 0.00 C ATOM 1367 O ASP A 86 15.020 11.953 -6.761 1.00 0.00 O ATOM 1368 CB ASP A 86 17.076 9.384 -7.019 1.00 0.00 C ATOM 1369 CG ASP A 86 18.507 9.205 -6.552 1.00 0.00 C ATOM 1370 OD1 ASP A 86 18.955 9.994 -5.694 1.00 0.00 O ATOM 1371 OD2 ASP A 86 19.181 8.276 -7.046 1.00 0.00 O ATOM 0 H ASP A 86 16.189 8.101 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 86 16.771 10.754 -5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 86 16.665 8.415 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 86 17.064 10.007 -7.913 1.00 0.00 H new ATOM 1376 N SER A 87 13.995 9.962 -6.984 1.00 0.00 N ATOM 1377 CA SER A 87 12.811 10.519 -7.627 1.00 0.00 C ATOM 1378 C SER A 87 12.128 11.537 -6.719 1.00 0.00 C ATOM 1379 O SER A 87 12.035 11.340 -5.508 1.00 0.00 O ATOM 1380 CB SER A 87 11.830 9.404 -7.990 1.00 0.00 C ATOM 1381 OG SER A 87 11.146 8.932 -6.842 1.00 0.00 O ATOM 0 H SER A 87 13.970 8.950 -6.858 1.00 0.00 H new ATOM 0 HA SER A 87 13.127 11.026 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.110 9.773 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.368 8.581 -8.460 1.00 0.00 H new ATOM 0 HG SER A 87 11.785 8.510 -6.231 1.00 0.00 H new ATOM 1387 N GLU A 88 11.652 12.627 -7.314 1.00 0.00 N ATOM 1388 CA GLU A 88 10.979 13.676 -6.559 1.00 0.00 C ATOM 1389 C GLU A 88 10.092 13.080 -5.469 1.00 0.00 C ATOM 1390 O GLU A 88 10.246 13.393 -4.290 1.00 0.00 O ATOM 1391 CB GLU A 88 10.139 14.549 -7.494 1.00 0.00 C ATOM 1392 CG GLU A 88 10.964 15.328 -8.504 1.00 0.00 C ATOM 1393 CD GLU A 88 10.144 16.357 -9.258 1.00 0.00 C ATOM 1394 OE1 GLU A 88 9.859 17.427 -8.681 1.00 0.00 O ATOM 1395 OE2 GLU A 88 9.788 16.092 -10.425 1.00 0.00 O ATOM 0 H GLU A 88 11.720 12.806 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 88 11.742 14.293 -6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.429 13.917 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.555 15.249 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.784 15.829 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.411 14.633 -9.215 1.00 0.00 H new ATOM 1402 N GLU A 89 9.164 12.219 -5.875 1.00 0.00 N ATOM 1403 CA GLU A 89 8.252 11.579 -4.934 1.00 0.00 C ATOM 1404 C GLU A 89 8.988 11.158 -3.665 1.00 0.00 C ATOM 1405 O GLU A 89 8.571 11.485 -2.555 1.00 0.00 O ATOM 1406 CB GLU A 89 7.588 10.361 -5.580 1.00 0.00 C ATOM 1407 CG GLU A 89 6.724 10.706 -6.782 1.00 0.00 C ATOM 1408 CD GLU A 89 7.537 10.906 -8.046 1.00 0.00 C ATOM 1409 OE1 GLU A 89 8.434 10.079 -8.312 1.00 0.00 O ATOM 1410 OE2 GLU A 89 7.276 11.890 -8.770 1.00 0.00 O ATOM 0 H GLU A 89 9.024 11.949 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 89 7.482 12.302 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.361 9.657 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.974 9.854 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.998 9.909 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.159 11.614 -6.570 1.00 0.00 H new ATOM 1417 N GLY A 90 10.085 10.427 -3.839 1.00 0.00 N ATOM 1418 CA GLY A 90 10.861 9.972 -2.700 1.00 0.00 C ATOM 1419 C GLY A 90 11.546 11.111 -1.972 1.00 0.00 C ATOM 1420 O GLY A 90 11.647 11.100 -0.746 1.00 0.00 O ATOM 0 H GLY A 90 10.450 10.142 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.207 9.443 -2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.612 9.257 -3.038 1.00 0.00 H new ATOM 1424 N GLN A 91 12.019 12.096 -2.730 1.00 0.00 N ATOM 1425 CA GLN A 91 12.700 13.246 -2.148 1.00 0.00 C ATOM 1426 C GLN A 91 11.863 13.871 -1.037 1.00 0.00 C ATOM 1427 O GLN A 91 12.327 14.025 0.092 1.00 0.00 O ATOM 1428 CB GLN A 91 12.997 14.289 -3.227 1.00 0.00 C ATOM 1429 CG GLN A 91 13.990 13.814 -4.276 1.00 0.00 C ATOM 1430 CD GLN A 91 15.425 13.875 -3.791 1.00 0.00 C ATOM 1431 OE1 GLN A 91 16.088 14.907 -3.904 1.00 0.00 O ATOM 1432 NE2 GLN A 91 15.913 12.767 -3.245 1.00 0.00 N ATOM 0 H GLN A 91 11.943 12.120 -3.747 1.00 0.00 H new ATOM 0 HA GLN A 91 13.640 12.900 -1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.065 14.565 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.386 15.190 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 91 13.750 12.790 -4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 91 13.887 14.426 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.328 11.934 -3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 91 16.872 12.749 -2.899 1.00 0.00 H new ATOM 1441 N ARG A 92 10.626 14.230 -1.366 1.00 0.00 N ATOM 1442 CA ARG A 92 9.724 14.839 -0.396 1.00 0.00 C ATOM 1443 C ARG A 92 9.500 13.912 0.795 1.00 0.00 C ATOM 1444 O ARG A 92 9.704 14.303 1.945 1.00 0.00 O ATOM 1445 CB ARG A 92 8.384 15.174 -1.054 1.00 0.00 C ATOM 1446 CG ARG A 92 8.495 16.191 -2.179 1.00 0.00 C ATOM 1447 CD ARG A 92 7.125 16.659 -2.644 1.00 0.00 C ATOM 1448 NE ARG A 92 6.613 17.753 -1.824 1.00 0.00 N ATOM 1449 CZ ARG A 92 6.446 18.992 -2.273 1.00 0.00 C ATOM 1450 NH1 ARG A 92 6.748 19.292 -3.528 1.00 0.00 N ATOM 1451 NH2 ARG A 92 5.975 19.934 -1.465 1.00 0.00 N ATOM 0 H ARG A 92 10.226 14.110 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 92 10.185 15.759 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.942 14.258 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.702 15.557 -0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.078 17.048 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.034 15.750 -3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.186 16.983 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.426 15.823 -2.611 1.00 0.00 H new ATOM 0 HE ARG A 92 6.370 17.555 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.110 18.571 -4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.619 20.244 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.741 19.707 -0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.847 20.885 -1.811 1.00 0.00 H new ATOM 1465 N TYR A 93 9.078 12.685 0.512 1.00 0.00 N ATOM 1466 CA TYR A 93 8.823 11.704 1.560 1.00 0.00 C ATOM 1467 C TYR A 93 9.908 11.758 2.632 1.00 0.00 C ATOM 1468 O TYR A 93 9.618 11.699 3.827 1.00 0.00 O ATOM 1469 CB TYR A 93 8.750 10.297 0.964 1.00 0.00 C ATOM 1470 CG TYR A 93 8.275 9.248 1.944 1.00 0.00 C ATOM 1471 CD1 TYR A 93 6.919 9.019 2.144 1.00 0.00 C ATOM 1472 CD2 TYR A 93 9.182 8.485 2.668 1.00 0.00 C ATOM 1473 CE1 TYR A 93 6.481 8.063 3.039 1.00 0.00 C ATOM 1474 CE2 TYR A 93 8.753 7.525 3.564 1.00 0.00 C ATOM 1475 CZ TYR A 93 7.402 7.318 3.747 1.00 0.00 C ATOM 1476 OH TYR A 93 6.969 6.363 4.638 1.00 0.00 O ATOM 0 H TYR A 93 8.905 12.346 -0.434 1.00 0.00 H new ATOM 0 HA TYR A 93 7.866 11.945 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.079 10.310 0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.736 10.017 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.195 9.599 1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.241 8.645 2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.423 7.899 3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.472 6.940 4.118 1.00 0.00 H new ATOM 0 HH TYR A 93 7.743 5.928 5.053 1.00 0.00 H new ATOM 1486 N ILE A 94 11.157 11.871 2.195 1.00 0.00 N ATOM 1487 CA ILE A 94 12.285 11.935 3.116 1.00 0.00 C ATOM 1488 C ILE A 94 12.019 12.928 4.243 1.00 0.00 C ATOM 1489 O ILE A 94 12.029 12.563 5.418 1.00 0.00 O ATOM 1490 CB ILE A 94 13.583 12.335 2.390 1.00 0.00 C ATOM 1491 CG1 ILE A 94 13.990 11.250 1.391 1.00 0.00 C ATOM 1492 CG2 ILE A 94 14.698 12.583 3.395 1.00 0.00 C ATOM 1493 CD1 ILE A 94 14.968 11.731 0.342 1.00 0.00 C ATOM 0 H ILE A 94 11.414 11.920 1.209 1.00 0.00 H new ATOM 0 HA ILE A 94 12.406 10.936 3.536 1.00 0.00 H new ATOM 0 HB ILE A 94 13.404 13.259 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 94 14.433 10.415 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 94 13.097 10.870 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 94 15.609 12.865 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.407 13.388 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.879 11.675 3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 94 15.212 10.910 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 94 14.520 12.546 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 94 15.878 12.085 0.827 1.00 0.00 H new ATOM 1505 N GLN A 95 11.780 14.182 3.875 1.00 0.00 N ATOM 1506 CA GLN A 95 11.510 15.227 4.855 1.00 0.00 C ATOM 1507 C GLN A 95 10.316 14.858 5.729 1.00 0.00 C ATOM 1508 O GLN A 95 10.348 15.032 6.948 1.00 0.00 O ATOM 1509 CB GLN A 95 11.250 16.560 4.152 1.00 0.00 C ATOM 1510 CG GLN A 95 12.519 17.315 3.789 1.00 0.00 C ATOM 1511 CD GLN A 95 13.209 17.912 5.000 1.00 0.00 C ATOM 1512 OE1 GLN A 95 12.918 19.039 5.402 1.00 0.00 O ATOM 1513 NE2 GLN A 95 14.130 17.158 5.589 1.00 0.00 N ATOM 0 H GLN A 95 11.768 14.499 2.906 1.00 0.00 H new ATOM 0 HA GLN A 95 12.388 15.327 5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.674 16.376 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.636 17.188 4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.206 16.639 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.275 18.111 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.340 16.230 5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.628 17.507 6.408 1.00 0.00 H new ATOM 1522 N PHE A 96 9.263 14.347 5.099 1.00 0.00 N ATOM 1523 CA PHE A 96 8.058 13.955 5.820 1.00 0.00 C ATOM 1524 C PHE A 96 8.409 13.318 7.161 1.00 0.00 C ATOM 1525 O PHE A 96 8.065 13.844 8.220 1.00 0.00 O ATOM 1526 CB PHE A 96 7.231 12.979 4.979 1.00 0.00 C ATOM 1527 CG PHE A 96 5.855 12.732 5.529 1.00 0.00 C ATOM 1528 CD1 PHE A 96 5.687 12.152 6.776 1.00 0.00 C ATOM 1529 CD2 PHE A 96 4.730 13.079 4.798 1.00 0.00 C ATOM 1530 CE1 PHE A 96 4.422 11.923 7.285 1.00 0.00 C ATOM 1531 CE2 PHE A 96 3.463 12.853 5.302 1.00 0.00 C ATOM 1532 CZ PHE A 96 3.309 12.273 6.546 1.00 0.00 C ATOM 0 H PHE A 96 9.220 14.195 4.091 1.00 0.00 H new ATOM 0 HA PHE A 96 7.469 14.852 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.144 13.369 3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.762 12.030 4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.554 11.876 7.357 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.845 13.531 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.304 11.471 8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.594 13.130 4.723 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.320 12.093 6.940 1.00 0.00 H new ATOM 1542 N TYR A 97 9.094 12.181 7.108 1.00 0.00 N ATOM 1543 CA TYR A 97 9.490 11.470 8.317 1.00 0.00 C ATOM 1544 C TYR A 97 10.985 11.624 8.576 1.00 0.00 C ATOM 1545 O TYR A 97 11.557 10.933 9.420 1.00 0.00 O ATOM 1546 CB TYR A 97 9.131 9.987 8.202 1.00 0.00 C ATOM 1547 CG TYR A 97 7.789 9.737 7.553 1.00 0.00 C ATOM 1548 CD1 TYR A 97 7.608 9.933 6.189 1.00 0.00 C ATOM 1549 CD2 TYR A 97 6.701 9.307 8.302 1.00 0.00 C ATOM 1550 CE1 TYR A 97 6.384 9.707 5.591 1.00 0.00 C ATOM 1551 CE2 TYR A 97 5.474 9.077 7.712 1.00 0.00 C ATOM 1552 CZ TYR A 97 5.320 9.278 6.357 1.00 0.00 C ATOM 1553 OH TYR A 97 4.098 9.052 5.766 1.00 0.00 O ATOM 0 H TYR A 97 9.386 11.732 6.240 1.00 0.00 H new ATOM 0 HA TYR A 97 8.948 11.905 9.157 1.00 0.00 H new ATOM 0 HB2 TYR A 97 9.904 9.478 7.626 1.00 0.00 H new ATOM 0 HB3 TYR A 97 9.132 9.543 9.198 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.439 10.268 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.817 9.150 9.364 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.260 9.865 4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.639 8.741 8.309 1.00 0.00 H new ATOM 0 HH TYR A 97 3.572 9.879 5.776 1.00 0.00 H new ATOM 1563 N LYS A 98 11.615 12.537 7.843 1.00 0.00 N ATOM 1564 CA LYS A 98 13.043 12.786 7.993 1.00 0.00 C ATOM 1565 C LYS A 98 13.841 11.497 7.824 1.00 0.00 C ATOM 1566 O LYS A 98 14.747 11.209 8.608 1.00 0.00 O ATOM 1567 CB LYS A 98 13.334 13.403 9.362 1.00 0.00 C ATOM 1568 CG LYS A 98 12.683 14.760 9.569 1.00 0.00 C ATOM 1569 CD LYS A 98 13.273 15.808 8.641 1.00 0.00 C ATOM 1570 CE LYS A 98 12.858 17.213 9.050 1.00 0.00 C ATOM 1571 NZ LYS A 98 13.426 17.597 10.372 1.00 0.00 N ATOM 0 H LYS A 98 11.158 13.117 7.139 1.00 0.00 H new ATOM 0 HA LYS A 98 13.347 13.486 7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.988 12.721 10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.412 13.504 9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.610 14.680 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.815 15.074 10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.360 15.732 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.948 15.615 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.188 17.924 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.770 17.273 9.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.418 18.633 10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.854 17.176 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.404 17.251 10.443 1.00 0.00 H new ATOM 1585 N LEU A 99 13.500 10.725 6.798 1.00 0.00 N ATOM 1586 CA LEU A 99 14.186 9.467 6.526 1.00 0.00 C ATOM 1587 C LEU A 99 15.696 9.673 6.458 1.00 0.00 C ATOM 1588 O LEU A 99 16.170 10.770 6.169 1.00 0.00 O ATOM 1589 CB LEU A 99 13.683 8.862 5.214 1.00 0.00 C ATOM 1590 CG LEU A 99 14.540 7.745 4.618 1.00 0.00 C ATOM 1591 CD1 LEU A 99 13.689 6.817 3.765 1.00 0.00 C ATOM 1592 CD2 LEU A 99 15.682 8.328 3.799 1.00 0.00 C ATOM 0 H LEU A 99 12.753 10.948 6.141 1.00 0.00 H new ATOM 0 HA LEU A 99 13.968 8.779 7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.678 8.473 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 99 13.599 9.661 4.477 1.00 0.00 H new ATOM 0 HG LEU A 99 14.966 7.164 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 99 14.316 6.028 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.907 6.372 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.234 7.384 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 99 16.281 7.518 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 99 15.276 8.933 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 99 16.308 8.951 4.439 1.00 0.00 H new ATOM 1604 N GLY A 100 16.446 8.608 6.726 1.00 0.00 N ATOM 1605 CA GLY A 100 17.894 8.693 6.688 1.00 0.00 C ATOM 1606 C GLY A 100 18.550 7.337 6.516 1.00 0.00 C ATOM 1607 O GLY A 100 19.621 7.229 5.919 1.00 0.00 O ATOM 0 H GLY A 100 16.077 7.689 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.195 9.345 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.252 9.152 7.609 1.00 0.00 H new ATOM 1611 N ASP A 101 17.907 6.300 7.042 1.00 0.00 N ATOM 1612 CA ASP A 101 18.435 4.944 6.944 1.00 0.00 C ATOM 1613 C ASP A 101 17.574 4.091 6.018 1.00 0.00 C ATOM 1614 O ASP A 101 16.421 4.425 5.743 1.00 0.00 O ATOM 1615 CB ASP A 101 18.507 4.301 8.330 1.00 0.00 C ATOM 1616 CG ASP A 101 19.712 4.766 9.123 1.00 0.00 C ATOM 1617 OD1 ASP A 101 19.849 5.989 9.332 1.00 0.00 O ATOM 1618 OD2 ASP A 101 20.521 3.906 9.533 1.00 0.00 O ATOM 0 H ASP A 101 17.020 6.372 7.540 1.00 0.00 H new ATOM 0 HA ASP A 101 19.440 5.001 6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.598 4.537 8.884 1.00 0.00 H new ATOM 0 HB3 ASP A 101 18.543 3.217 8.223 1.00 0.00 H new ATOM 1623 N PHE A 102 18.142 2.989 5.539 1.00 0.00 N ATOM 1624 CA PHE A 102 17.427 2.089 4.641 1.00 0.00 C ATOM 1625 C PHE A 102 17.755 0.633 4.957 1.00 0.00 C ATOM 1626 O PHE A 102 18.827 0.308 5.468 1.00 0.00 O ATOM 1627 CB PHE A 102 17.781 2.399 3.185 1.00 0.00 C ATOM 1628 CG PHE A 102 17.899 3.869 2.897 1.00 0.00 C ATOM 1629 CD1 PHE A 102 18.957 4.605 3.406 1.00 0.00 C ATOM 1630 CD2 PHE A 102 16.952 4.513 2.117 1.00 0.00 C ATOM 1631 CE1 PHE A 102 19.067 5.957 3.142 1.00 0.00 C ATOM 1632 CE2 PHE A 102 17.058 5.866 1.850 1.00 0.00 C ATOM 1633 CZ PHE A 102 18.117 6.588 2.363 1.00 0.00 C ATOM 0 H PHE A 102 19.095 2.698 5.757 1.00 0.00 H new ATOM 0 HA PHE A 102 16.358 2.243 4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 102 18.724 1.911 2.937 1.00 0.00 H new ATOM 0 HB3 PHE A 102 17.019 1.969 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 102 19.703 4.117 4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 102 16.122 3.952 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.896 6.520 3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.313 6.357 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 102 18.202 7.644 2.156 1.00 0.00 H new ATOM 1643 N PRO A 103 16.810 -0.267 4.646 1.00 0.00 N ATOM 1644 CA PRO A 103 15.529 0.108 4.038 1.00 0.00 C ATOM 1645 C PRO A 103 14.628 0.867 5.006 1.00 0.00 C ATOM 1646 O PRO A 103 14.938 0.990 6.191 1.00 0.00 O ATOM 1647 CB PRO A 103 14.904 -1.239 3.669 1.00 0.00 C ATOM 1648 CG PRO A 103 15.520 -2.214 4.612 1.00 0.00 C ATOM 1649 CD PRO A 103 16.917 -1.719 4.865 1.00 0.00 C ATOM 0 HA PRO A 103 15.661 0.779 3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.820 -1.215 3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.115 -1.503 2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.952 -2.271 5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.533 -3.216 4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.247 -1.949 5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.635 -2.176 4.184 1.00 0.00 H new ATOM 1657 N TYR A 104 13.512 1.373 4.494 1.00 0.00 N ATOM 1658 CA TYR A 104 12.566 2.122 5.313 1.00 0.00 C ATOM 1659 C TYR A 104 11.132 1.693 5.019 1.00 0.00 C ATOM 1660 O TYR A 104 10.709 1.649 3.864 1.00 0.00 O ATOM 1661 CB TYR A 104 12.722 3.623 5.066 1.00 0.00 C ATOM 1662 CG TYR A 104 12.089 4.482 6.138 1.00 0.00 C ATOM 1663 CD1 TYR A 104 10.715 4.473 6.341 1.00 0.00 C ATOM 1664 CD2 TYR A 104 12.866 5.303 6.947 1.00 0.00 C ATOM 1665 CE1 TYR A 104 10.132 5.257 7.319 1.00 0.00 C ATOM 1666 CE2 TYR A 104 12.292 6.088 7.927 1.00 0.00 C ATOM 1667 CZ TYR A 104 10.925 6.062 8.109 1.00 0.00 C ATOM 1668 OH TYR A 104 10.349 6.844 9.084 1.00 0.00 O ATOM 0 H TYR A 104 13.240 1.278 3.516 1.00 0.00 H new ATOM 0 HA TYR A 104 12.782 1.909 6.360 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.783 3.863 4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.277 3.872 4.103 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.091 3.843 5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 104 13.937 5.327 6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.062 5.239 7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 104 12.910 6.719 8.548 1.00 0.00 H new ATOM 0 HH TYR A 104 11.046 7.350 9.552 1.00 0.00 H new ATOM 1678 N VAL A 105 10.387 1.377 6.075 1.00 0.00 N ATOM 1679 CA VAL A 105 9.000 0.953 5.932 1.00 0.00 C ATOM 1680 C VAL A 105 8.150 1.452 7.095 1.00 0.00 C ATOM 1681 O VAL A 105 8.559 1.376 8.253 1.00 0.00 O ATOM 1682 CB VAL A 105 8.887 -0.581 5.850 1.00 0.00 C ATOM 1683 CG1 VAL A 105 7.432 -1.004 5.723 1.00 0.00 C ATOM 1684 CG2 VAL A 105 9.709 -1.114 4.686 1.00 0.00 C ATOM 0 H VAL A 105 10.722 1.407 7.038 1.00 0.00 H new ATOM 0 HA VAL A 105 8.631 1.387 5.003 1.00 0.00 H new ATOM 0 HB VAL A 105 9.285 -1.007 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.373 -2.091 5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.874 -0.655 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.004 -0.570 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.618 -2.199 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.344 -0.682 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.756 -0.843 4.826 1.00 0.00 H new ATOM 1694 N SER A 106 6.964 1.963 6.778 1.00 0.00 N ATOM 1695 CA SER A 106 6.057 2.478 7.797 1.00 0.00 C ATOM 1696 C SER A 106 4.615 2.464 7.298 1.00 0.00 C ATOM 1697 O SER A 106 4.353 2.704 6.119 1.00 0.00 O ATOM 1698 CB SER A 106 6.457 3.901 8.193 1.00 0.00 C ATOM 1699 OG SER A 106 5.425 4.535 8.928 1.00 0.00 O ATOM 0 H SER A 106 6.609 2.031 5.824 1.00 0.00 H new ATOM 0 HA SER A 106 6.127 1.831 8.671 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.369 3.873 8.790 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.680 4.482 7.298 1.00 0.00 H new ATOM 0 HG SER A 106 5.145 3.955 9.667 1.00 0.00 H new ATOM 1705 N ILE A 107 3.685 2.181 8.203 1.00 0.00 N ATOM 1706 CA ILE A 107 2.271 2.136 7.856 1.00 0.00 C ATOM 1707 C ILE A 107 1.594 3.474 8.133 1.00 0.00 C ATOM 1708 O ILE A 107 1.472 3.895 9.284 1.00 0.00 O ATOM 1709 CB ILE A 107 1.534 1.031 8.636 1.00 0.00 C ATOM 1710 CG1 ILE A 107 2.144 -0.337 8.323 1.00 0.00 C ATOM 1711 CG2 ILE A 107 0.050 1.044 8.300 1.00 0.00 C ATOM 1712 CD1 ILE A 107 1.631 -1.446 9.215 1.00 0.00 C ATOM 0 H ILE A 107 3.886 1.979 9.183 1.00 0.00 H new ATOM 0 HA ILE A 107 2.215 1.916 6.790 1.00 0.00 H new ATOM 0 HB ILE A 107 1.646 1.223 9.703 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.933 -0.591 7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.228 -0.274 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.457 0.257 8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.375 2.011 8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.083 0.873 7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.106 -2.386 8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.865 -1.215 10.254 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.551 -1.537 9.098 1.00 0.00 H new ATOM 1724 N LEU A 108 1.154 4.139 7.070 1.00 0.00 N ATOM 1725 CA LEU A 108 0.487 5.430 7.198 1.00 0.00 C ATOM 1726 C LEU A 108 -1.027 5.257 7.261 1.00 0.00 C ATOM 1727 O LEU A 108 -1.561 4.225 6.855 1.00 0.00 O ATOM 1728 CB LEU A 108 0.859 6.337 6.023 1.00 0.00 C ATOM 1729 CG LEU A 108 2.065 7.252 6.238 1.00 0.00 C ATOM 1730 CD1 LEU A 108 1.752 8.312 7.283 1.00 0.00 C ATOM 1731 CD2 LEU A 108 3.285 6.440 6.649 1.00 0.00 C ATOM 0 H LEU A 108 1.247 3.806 6.111 1.00 0.00 H new ATOM 0 HA LEU A 108 0.820 5.893 8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.054 5.710 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.004 6.957 5.781 1.00 0.00 H new ATOM 0 HG LEU A 108 2.288 7.754 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.622 8.954 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.907 8.914 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.502 7.829 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.133 7.108 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.073 5.910 7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.523 5.720 5.866 1.00 0.00 H new ATOM 1743 N ASP A 109 -1.713 6.274 7.770 1.00 0.00 N ATOM 1744 CA ASP A 109 -3.166 6.236 7.884 1.00 0.00 C ATOM 1745 C ASP A 109 -3.808 7.302 7.000 1.00 0.00 C ATOM 1746 O ASP A 109 -3.536 8.495 7.128 1.00 0.00 O ATOM 1747 CB ASP A 109 -3.591 6.439 9.339 1.00 0.00 C ATOM 1748 CG ASP A 109 -5.030 6.028 9.585 1.00 0.00 C ATOM 1749 OD1 ASP A 109 -5.862 6.206 8.671 1.00 0.00 O ATOM 1750 OD2 ASP A 109 -5.324 5.529 10.691 1.00 0.00 O ATOM 0 H ASP A 109 -1.286 7.135 8.110 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.507 5.257 7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.935 5.861 9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.465 7.488 9.608 1.00 0.00 H new ATOM 1755 N PRO A 110 -4.681 6.862 6.082 1.00 0.00 N ATOM 1756 CA PRO A 110 -5.380 7.761 5.159 1.00 0.00 C ATOM 1757 C PRO A 110 -6.413 8.630 5.867 1.00 0.00 C ATOM 1758 O PRO A 110 -6.842 9.656 5.339 1.00 0.00 O ATOM 1759 CB PRO A 110 -6.066 6.804 4.181 1.00 0.00 C ATOM 1760 CG PRO A 110 -6.236 5.537 4.948 1.00 0.00 C ATOM 1761 CD PRO A 110 -5.054 5.452 5.874 1.00 0.00 C ATOM 0 HA PRO A 110 -4.698 8.464 4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.027 7.198 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.460 6.648 3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.171 5.542 5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.270 4.677 4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.313 4.962 6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.237 4.881 5.432 1.00 0.00 H new ATOM 1769 N ARG A 111 -6.808 8.214 7.065 1.00 0.00 N ATOM 1770 CA ARG A 111 -7.793 8.954 7.846 1.00 0.00 C ATOM 1771 C ARG A 111 -7.161 10.184 8.491 1.00 0.00 C ATOM 1772 O ARG A 111 -7.540 11.318 8.195 1.00 0.00 O ATOM 1773 CB ARG A 111 -8.401 8.056 8.924 1.00 0.00 C ATOM 1774 CG ARG A 111 -9.489 7.131 8.403 1.00 0.00 C ATOM 1775 CD ARG A 111 -10.181 6.391 9.537 1.00 0.00 C ATOM 1776 NE ARG A 111 -11.456 5.815 9.117 1.00 0.00 N ATOM 1777 CZ ARG A 111 -12.600 6.489 9.111 1.00 0.00 C ATOM 1778 NH1 ARG A 111 -12.629 7.757 9.499 1.00 0.00 N ATOM 1779 NH2 ARG A 111 -13.719 5.896 8.715 1.00 0.00 N ATOM 0 H ARG A 111 -6.461 7.368 7.517 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.582 9.283 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.610 7.456 9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -8.815 8.681 9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.223 7.710 7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.055 6.411 7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.529 5.599 9.904 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.349 7.076 10.368 1.00 0.00 H new ATOM 0 HE ARG A 111 -11.468 4.842 8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -11.771 8.217 9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -13.509 8.272 9.493 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.701 4.921 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -14.597 6.415 8.711 1.00 0.00 H new ATOM 1793 N THR A 112 -6.195 9.953 9.374 1.00 0.00 N ATOM 1794 CA THR A 112 -5.512 11.041 10.062 1.00 0.00 C ATOM 1795 C THR A 112 -4.373 11.598 9.215 1.00 0.00 C ATOM 1796 O THR A 112 -4.185 12.811 9.133 1.00 0.00 O ATOM 1797 CB THR A 112 -4.948 10.580 11.420 1.00 0.00 C ATOM 1798 OG1 THR A 112 -3.946 9.577 11.220 1.00 0.00 O ATOM 1799 CG2 THR A 112 -6.055 10.030 12.307 1.00 0.00 C ATOM 0 H THR A 112 -5.868 9.021 9.630 1.00 0.00 H new ATOM 0 HA THR A 112 -6.252 11.823 10.230 1.00 0.00 H new ATOM 0 HB THR A 112 -4.503 11.443 11.915 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.706 9.178 12.082 1.00 0.00 H new ATOM 0 HG21 THR A 112 -5.633 9.711 13.260 1.00 0.00 H new ATOM 0 HG22 THR A 112 -6.800 10.806 12.482 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.526 9.179 11.816 1.00 0.00 H new ATOM 1807 N GLY A 113 -3.617 10.704 8.586 1.00 0.00 N ATOM 1808 CA GLY A 113 -2.507 11.127 7.753 1.00 0.00 C ATOM 1809 C GLY A 113 -1.196 11.175 8.513 1.00 0.00 C ATOM 1810 O GLY A 113 -0.355 12.036 8.257 1.00 0.00 O ATOM 0 H GLY A 113 -3.753 9.695 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.409 10.444 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.721 12.113 7.341 1.00 0.00 H new ATOM 1814 N GLN A 114 -1.024 10.250 9.452 1.00 0.00 N ATOM 1815 CA GLN A 114 0.193 10.193 10.253 1.00 0.00 C ATOM 1816 C GLN A 114 0.788 8.789 10.240 1.00 0.00 C ATOM 1817 O GLN A 114 0.218 7.867 9.657 1.00 0.00 O ATOM 1818 CB GLN A 114 -0.099 10.622 11.692 1.00 0.00 C ATOM 1819 CG GLN A 114 -0.768 9.542 12.526 1.00 0.00 C ATOM 1820 CD GLN A 114 -1.667 10.111 13.606 1.00 0.00 C ATOM 1821 OE1 GLN A 114 -2.386 11.084 13.382 1.00 0.00 O ATOM 1822 NE2 GLN A 114 -1.630 9.504 14.787 1.00 0.00 N ATOM 0 H GLN A 114 -1.711 9.531 9.677 1.00 0.00 H new ATOM 0 HA GLN A 114 0.918 10.879 9.816 1.00 0.00 H new ATOM 0 HB2 GLN A 114 0.835 10.913 12.172 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -0.738 11.505 11.676 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -1.355 8.896 11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -0.002 8.918 12.987 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -1.019 8.700 14.928 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.213 9.842 15.553 1.00 0.00 H new ATOM 1831 N LYS A 115 1.939 8.634 10.885 1.00 0.00 N ATOM 1832 CA LYS A 115 2.613 7.343 10.949 1.00 0.00 C ATOM 1833 C LYS A 115 2.081 6.508 12.109 1.00 0.00 C ATOM 1834 O LYS A 115 2.174 6.910 13.270 1.00 0.00 O ATOM 1835 CB LYS A 115 4.124 7.539 11.098 1.00 0.00 C ATOM 1836 CG LYS A 115 4.899 6.237 11.200 1.00 0.00 C ATOM 1837 CD LYS A 115 5.075 5.804 12.646 1.00 0.00 C ATOM 1838 CE LYS A 115 6.345 6.383 13.251 1.00 0.00 C ATOM 1839 NZ LYS A 115 6.621 5.821 14.602 1.00 0.00 N ATOM 0 H LYS A 115 2.425 9.387 11.371 1.00 0.00 H new ATOM 0 HA LYS A 115 2.412 6.811 10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.494 8.106 10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.318 8.138 11.987 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.376 5.457 10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.877 6.357 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.213 6.125 13.231 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.109 4.716 12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.188 6.176 12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.253 7.467 13.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.494 6.240 14.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.828 6.040 15.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.734 4.790 14.532 1.00 0.00 H new ATOM 1853 N LEU A 116 1.526 5.345 11.789 1.00 0.00 N ATOM 1854 CA LEU A 116 0.980 4.452 12.806 1.00 0.00 C ATOM 1855 C LEU A 116 2.078 3.589 13.418 1.00 0.00 C ATOM 1856 O LEU A 116 2.214 3.512 14.640 1.00 0.00 O ATOM 1857 CB LEU A 116 -0.107 3.561 12.200 1.00 0.00 C ATOM 1858 CG LEU A 116 -1.265 4.287 11.516 1.00 0.00 C ATOM 1859 CD1 LEU A 116 -2.135 3.302 10.750 1.00 0.00 C ATOM 1860 CD2 LEU A 116 -2.094 5.051 12.538 1.00 0.00 C ATOM 0 H LEU A 116 1.442 4.998 10.834 1.00 0.00 H new ATOM 0 HA LEU A 116 0.542 5.064 13.595 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.359 2.897 11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.515 2.931 12.991 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.851 5.003 10.806 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.954 3.837 10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.535 2.800 9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.540 2.562 11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.914 5.562 12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.498 4.354 13.273 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.465 5.785 13.042 1.00 0.00 H new ATOM 1872 N VAL A 117 2.862 2.941 12.562 1.00 0.00 N ATOM 1873 CA VAL A 117 3.951 2.086 13.019 1.00 0.00 C ATOM 1874 C VAL A 117 5.166 2.210 12.107 1.00 0.00 C ATOM 1875 O VAL A 117 5.036 2.511 10.921 1.00 0.00 O ATOM 1876 CB VAL A 117 3.517 0.609 13.079 1.00 0.00 C ATOM 1877 CG1 VAL A 117 2.250 0.458 13.908 1.00 0.00 C ATOM 1878 CG2 VAL A 117 3.315 0.055 11.677 1.00 0.00 C ATOM 0 H VAL A 117 2.763 2.992 11.548 1.00 0.00 H new ATOM 0 HA VAL A 117 4.217 2.420 14.022 1.00 0.00 H new ATOM 0 HB VAL A 117 4.309 0.035 13.561 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.959 -0.592 13.939 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.434 0.814 14.922 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.449 1.044 13.458 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.009 -0.989 11.739 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.543 0.630 11.166 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.249 0.127 11.119 1.00 0.00 H new ATOM 1888 N GLU A 118 6.348 1.975 12.670 1.00 0.00 N ATOM 1889 CA GLU A 118 7.587 2.060 11.906 1.00 0.00 C ATOM 1890 C GLU A 118 8.404 0.780 12.049 1.00 0.00 C ATOM 1891 O GLU A 118 8.681 0.329 13.161 1.00 0.00 O ATOM 1892 CB GLU A 118 8.415 3.261 12.369 1.00 0.00 C ATOM 1893 CG GLU A 118 9.060 3.066 13.731 1.00 0.00 C ATOM 1894 CD GLU A 118 10.372 2.310 13.652 1.00 0.00 C ATOM 1895 OE1 GLU A 118 11.185 2.623 12.757 1.00 0.00 O ATOM 1896 OE2 GLU A 118 10.586 1.405 14.486 1.00 0.00 O ATOM 0 H GLU A 118 6.473 1.725 13.651 1.00 0.00 H new ATOM 0 HA GLU A 118 7.328 2.189 10.855 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.194 3.461 11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.774 4.142 12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.233 4.040 14.190 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.372 2.525 14.381 1.00 0.00 H new ATOM 1903 N TRP A 119 8.786 0.199 10.917 1.00 0.00 N ATOM 1904 CA TRP A 119 9.571 -1.030 10.916 1.00 0.00 C ATOM 1905 C TRP A 119 10.877 -0.841 10.152 1.00 0.00 C ATOM 1906 O TRP A 119 10.883 -0.335 9.029 1.00 0.00 O ATOM 1907 CB TRP A 119 8.764 -2.173 10.298 1.00 0.00 C ATOM 1908 CG TRP A 119 7.491 -2.466 11.031 1.00 0.00 C ATOM 1909 CD1 TRP A 119 7.287 -2.397 12.380 1.00 0.00 C ATOM 1910 CD2 TRP A 119 6.246 -2.877 10.456 1.00 0.00 C ATOM 1911 NE1 TRP A 119 5.990 -2.740 12.678 1.00 0.00 N ATOM 1912 CE2 TRP A 119 5.330 -3.038 11.515 1.00 0.00 C ATOM 1913 CE3 TRP A 119 5.814 -3.123 9.150 1.00 0.00 C ATOM 1914 CZ2 TRP A 119 4.012 -3.434 11.305 1.00 0.00 C ATOM 1915 CZ3 TRP A 119 4.506 -3.516 8.944 1.00 0.00 C ATOM 1916 CH2 TRP A 119 3.617 -3.668 10.016 1.00 0.00 C ATOM 0 H TRP A 119 8.565 0.559 9.989 1.00 0.00 H new ATOM 0 HA TRP A 119 9.810 -1.281 11.949 1.00 0.00 H new ATOM 0 HB2 TRP A 119 8.530 -1.924 9.263 1.00 0.00 H new ATOM 0 HB3 TRP A 119 9.379 -3.073 10.278 1.00 0.00 H new ATOM 0 HD1 TRP A 119 8.035 -2.114 13.106 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.584 -2.768 13.613 1.00 0.00 H new ATOM 0 HE3 TRP A 119 6.491 -3.008 8.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.326 -3.552 12.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 4.162 -3.710 7.939 1.00 0.00 H new ATOM 0 HH2 TRP A 119 2.600 -3.976 9.821 1.00 0.00 H new ATOM 1927 N HIS A 120 11.982 -1.251 10.767 1.00 0.00 N ATOM 1928 CA HIS A 120 13.294 -1.128 10.143 1.00 0.00 C ATOM 1929 C HIS A 120 13.568 -2.308 9.215 1.00 0.00 C ATOM 1930 O HIS A 120 13.779 -2.129 8.016 1.00 0.00 O ATOM 1931 CB HIS A 120 14.384 -1.040 11.212 1.00 0.00 C ATOM 1932 CG HIS A 120 14.688 0.361 11.644 1.00 0.00 C ATOM 1933 ND1 HIS A 120 15.446 1.233 10.892 1.00 0.00 N ATOM 1934 CD2 HIS A 120 14.330 1.041 12.759 1.00 0.00 C ATOM 1935 CE1 HIS A 120 15.542 2.388 11.525 1.00 0.00 C ATOM 1936 NE2 HIS A 120 14.874 2.298 12.660 1.00 0.00 N ATOM 0 H HIS A 120 11.995 -1.671 11.696 1.00 0.00 H new ATOM 0 HA HIS A 120 13.303 -0.214 9.550 1.00 0.00 H new ATOM 0 HB2 HIS A 120 14.076 -1.621 12.082 1.00 0.00 H new ATOM 0 HB3 HIS A 120 15.295 -1.499 10.829 1.00 0.00 H new ATOM 0 HD2 HIS A 120 13.729 0.665 13.574 1.00 0.00 H new ATOM 0 HE1 HIS A 120 16.076 3.258 11.174 1.00 0.00 H new ATOM 0 HE2 HIS A 120 14.778 3.042 13.351 1.00 0.00 H new ATOM 1945 N GLN A 121 13.564 -3.511 9.780 1.00 0.00 N ATOM 1946 CA GLN A 121 13.814 -4.719 9.003 1.00 0.00 C ATOM 1947 C GLN A 121 12.551 -5.567 8.893 1.00 0.00 C ATOM 1948 O GLN A 121 11.676 -5.510 9.758 1.00 0.00 O ATOM 1949 CB GLN A 121 14.938 -5.538 9.640 1.00 0.00 C ATOM 1950 CG GLN A 121 14.664 -5.926 11.084 1.00 0.00 C ATOM 1951 CD GLN A 121 15.631 -6.973 11.601 1.00 0.00 C ATOM 1952 OE1 GLN A 121 16.538 -6.668 12.376 1.00 0.00 O ATOM 1953 NE2 GLN A 121 15.442 -8.216 11.174 1.00 0.00 N ATOM 0 H GLN A 121 13.391 -3.675 10.772 1.00 0.00 H new ATOM 0 HA GLN A 121 14.117 -4.419 8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 121 15.095 -6.443 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 121 15.864 -4.965 9.596 1.00 0.00 H new ATOM 0 HG2 GLN A 121 14.726 -5.038 11.713 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.645 -6.305 11.167 1.00 0.00 H new ATOM 0 HE21 GLN A 121 14.677 -8.424 10.532 1.00 0.00 H new ATOM 0 HE22 GLN A 121 16.061 -8.963 11.488 1.00 0.00 H new ATOM 1962 N LEU A 122 12.462 -6.351 7.824 1.00 0.00 N ATOM 1963 CA LEU A 122 11.305 -7.211 7.601 1.00 0.00 C ATOM 1964 C LEU A 122 11.684 -8.427 6.762 1.00 0.00 C ATOM 1965 O LEU A 122 12.773 -8.484 6.189 1.00 0.00 O ATOM 1966 CB LEU A 122 10.189 -6.427 6.908 1.00 0.00 C ATOM 1967 CG LEU A 122 9.724 -5.154 7.615 1.00 0.00 C ATOM 1968 CD1 LEU A 122 9.005 -4.234 6.640 1.00 0.00 C ATOM 1969 CD2 LEU A 122 8.822 -5.496 8.792 1.00 0.00 C ATOM 0 H LEU A 122 13.177 -6.409 7.099 1.00 0.00 H new ATOM 0 HA LEU A 122 10.949 -7.559 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.528 -6.160 5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.330 -7.087 6.788 1.00 0.00 H new ATOM 0 HG LEU A 122 10.602 -4.632 7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.681 -3.333 7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.682 -3.961 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.136 -4.747 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.501 -4.577 9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 122 7.948 -6.041 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.370 -6.115 9.503 1.00 0.00 H new ATOM 1981 N ASP A 123 10.779 -9.397 6.693 1.00 0.00 N ATOM 1982 CA ASP A 123 11.017 -10.612 5.922 1.00 0.00 C ATOM 1983 C ASP A 123 9.709 -11.172 5.373 1.00 0.00 C ATOM 1984 O ASP A 123 8.626 -10.691 5.708 1.00 0.00 O ATOM 1985 CB ASP A 123 11.714 -11.663 6.787 1.00 0.00 C ATOM 1986 CG ASP A 123 13.209 -11.431 6.889 1.00 0.00 C ATOM 1987 OD1 ASP A 123 13.897 -11.535 5.853 1.00 0.00 O ATOM 1988 OD2 ASP A 123 13.690 -11.145 8.006 1.00 0.00 O ATOM 0 H ASP A 123 9.874 -9.366 7.162 1.00 0.00 H new ATOM 0 HA ASP A 123 11.664 -10.359 5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.279 -11.653 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.531 -12.653 6.369 1.00 0.00 H new ATOM 1993 N VAL A 124 9.816 -12.191 4.527 1.00 0.00 N ATOM 1994 CA VAL A 124 8.642 -12.818 3.931 1.00 0.00 C ATOM 1995 C VAL A 124 7.705 -13.360 5.004 1.00 0.00 C ATOM 1996 O VAL A 124 6.499 -13.112 4.973 1.00 0.00 O ATOM 1997 CB VAL A 124 9.038 -13.966 2.984 1.00 0.00 C ATOM 1998 CG1 VAL A 124 7.799 -14.661 2.440 1.00 0.00 C ATOM 1999 CG2 VAL A 124 9.907 -13.444 1.850 1.00 0.00 C ATOM 0 H VAL A 124 10.704 -12.601 4.238 1.00 0.00 H new ATOM 0 HA VAL A 124 8.127 -12.046 3.359 1.00 0.00 H new ATOM 0 HB VAL A 124 9.617 -14.697 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 124 8.099 -15.469 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.218 -15.070 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.191 -13.943 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 124 10.178 -14.268 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 124 9.355 -12.693 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.812 -12.996 2.261 1.00 0.00 H new ATOM 2009 N SER A 125 8.267 -14.100 5.954 1.00 0.00 N ATOM 2010 CA SER A 125 7.481 -14.681 7.037 1.00 0.00 C ATOM 2011 C SER A 125 7.247 -13.660 8.146 1.00 0.00 C ATOM 2012 O SER A 125 6.137 -13.534 8.664 1.00 0.00 O ATOM 2013 CB SER A 125 8.187 -15.914 7.604 1.00 0.00 C ATOM 2014 OG SER A 125 7.565 -16.353 8.799 1.00 0.00 O ATOM 0 H SER A 125 9.264 -14.312 5.996 1.00 0.00 H new ATOM 0 HA SER A 125 6.514 -14.980 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.172 -16.717 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 125 9.233 -15.680 7.800 1.00 0.00 H new ATOM 0 HG SER A 125 8.034 -17.143 9.141 1.00 0.00 H new ATOM 2020 N SER A 126 8.300 -12.933 8.505 1.00 0.00 N ATOM 2021 CA SER A 126 8.212 -11.926 9.555 1.00 0.00 C ATOM 2022 C SER A 126 7.176 -10.862 9.202 1.00 0.00 C ATOM 2023 O SER A 126 6.295 -10.547 10.002 1.00 0.00 O ATOM 2024 CB SER A 126 9.576 -11.271 9.779 1.00 0.00 C ATOM 2025 OG SER A 126 9.706 -10.806 11.111 1.00 0.00 O ATOM 0 H SER A 126 9.225 -13.023 8.084 1.00 0.00 H new ATOM 0 HA SER A 126 7.900 -12.422 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.367 -11.988 9.562 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.701 -10.439 9.086 1.00 0.00 H new ATOM 0 HG SER A 126 10.587 -10.393 11.229 1.00 0.00 H new ATOM 2031 N PHE A 127 7.289 -10.312 7.998 1.00 0.00 N ATOM 2032 CA PHE A 127 6.365 -9.283 7.537 1.00 0.00 C ATOM 2033 C PHE A 127 4.921 -9.674 7.840 1.00 0.00 C ATOM 2034 O PHE A 127 4.236 -9.010 8.619 1.00 0.00 O ATOM 2035 CB PHE A 127 6.536 -9.048 6.035 1.00 0.00 C ATOM 2036 CG PHE A 127 5.633 -7.980 5.488 1.00 0.00 C ATOM 2037 CD1 PHE A 127 5.872 -6.644 5.765 1.00 0.00 C ATOM 2038 CD2 PHE A 127 4.545 -8.312 4.697 1.00 0.00 C ATOM 2039 CE1 PHE A 127 5.043 -5.658 5.264 1.00 0.00 C ATOM 2040 CE2 PHE A 127 3.713 -7.331 4.191 1.00 0.00 C ATOM 2041 CZ PHE A 127 3.962 -6.003 4.476 1.00 0.00 C ATOM 0 H PHE A 127 8.012 -10.562 7.323 1.00 0.00 H new ATOM 0 HA PHE A 127 6.594 -8.360 8.070 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.572 -8.775 5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.344 -9.981 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 127 6.716 -6.369 6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.345 -9.349 4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 127 5.240 -4.620 5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.869 -7.603 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 127 3.312 -5.235 4.083 1.00 0.00 H new ATOM 2051 N LEU A 128 4.465 -10.756 7.219 1.00 0.00 N ATOM 2052 CA LEU A 128 3.102 -11.237 7.421 1.00 0.00 C ATOM 2053 C LEU A 128 2.762 -11.301 8.907 1.00 0.00 C ATOM 2054 O LEU A 128 1.738 -10.775 9.342 1.00 0.00 O ATOM 2055 CB LEU A 128 2.928 -12.617 6.786 1.00 0.00 C ATOM 2056 CG LEU A 128 3.235 -12.712 5.291 1.00 0.00 C ATOM 2057 CD1 LEU A 128 3.418 -14.163 4.875 1.00 0.00 C ATOM 2058 CD2 LEU A 128 2.130 -12.056 4.477 1.00 0.00 C ATOM 0 H LEU A 128 5.019 -11.317 6.572 1.00 0.00 H new ATOM 0 HA LEU A 128 2.420 -10.535 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 128 3.571 -13.321 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 128 1.900 -12.942 6.947 1.00 0.00 H new ATOM 0 HG LEU A 128 4.166 -12.180 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 128 3.636 -14.211 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 128 4.245 -14.600 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 128 2.504 -14.719 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.365 -12.133 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.184 -12.559 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 128 2.048 -11.005 4.755 1.00 0.00 H new ATOM 2070 N ASP A 129 3.629 -11.947 9.679 1.00 0.00 N ATOM 2071 CA ASP A 129 3.422 -12.077 11.117 1.00 0.00 C ATOM 2072 C ASP A 129 2.970 -10.752 11.723 1.00 0.00 C ATOM 2073 O ASP A 129 1.928 -10.680 12.373 1.00 0.00 O ATOM 2074 CB ASP A 129 4.707 -12.551 11.797 1.00 0.00 C ATOM 2075 CG ASP A 129 4.544 -12.711 13.296 1.00 0.00 C ATOM 2076 OD1 ASP A 129 3.418 -13.019 13.741 1.00 0.00 O ATOM 2077 OD2 ASP A 129 5.542 -12.530 14.024 1.00 0.00 O ATOM 0 H ASP A 129 4.481 -12.389 9.334 1.00 0.00 H new ATOM 0 HA ASP A 129 2.639 -12.817 11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.014 -13.503 11.364 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.506 -11.837 11.595 1.00 0.00 H new ATOM 2082 N GLN A 130 3.763 -9.707 11.507 1.00 0.00 N ATOM 2083 CA GLN A 130 3.444 -8.385 12.034 1.00 0.00 C ATOM 2084 C GLN A 130 2.174 -7.836 11.394 1.00 0.00 C ATOM 2085 O GLN A 130 1.213 -7.500 12.086 1.00 0.00 O ATOM 2086 CB GLN A 130 4.608 -7.423 11.792 1.00 0.00 C ATOM 2087 CG GLN A 130 5.889 -7.826 12.505 1.00 0.00 C ATOM 2088 CD GLN A 130 7.004 -6.817 12.318 1.00 0.00 C ATOM 2089 OE1 GLN A 130 6.755 -5.624 12.143 1.00 0.00 O ATOM 2090 NE2 GLN A 130 8.244 -7.291 12.353 1.00 0.00 N ATOM 0 H GLN A 130 4.630 -9.750 10.971 1.00 0.00 H new ATOM 0 HA GLN A 130 3.276 -8.479 13.107 1.00 0.00 H new ATOM 0 HB2 GLN A 130 4.802 -7.362 10.721 1.00 0.00 H new ATOM 0 HB3 GLN A 130 4.318 -6.425 12.120 1.00 0.00 H new ATOM 0 HG2 GLN A 130 5.686 -7.944 13.569 1.00 0.00 H new ATOM 0 HG3 GLN A 130 6.217 -8.797 12.133 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.405 -8.287 12.501 1.00 0.00 H new ATOM 0 HE22 GLN A 130 9.035 -6.659 12.232 1.00 0.00 H new ATOM 2099 N VAL A 131 2.176 -7.746 10.067 1.00 0.00 N ATOM 2100 CA VAL A 131 1.023 -7.238 9.333 1.00 0.00 C ATOM 2101 C VAL A 131 -0.277 -7.811 9.886 1.00 0.00 C ATOM 2102 O VAL A 131 -1.142 -7.074 10.360 1.00 0.00 O ATOM 2103 CB VAL A 131 1.122 -7.571 7.833 1.00 0.00 C ATOM 2104 CG1 VAL A 131 -0.132 -7.117 7.102 1.00 0.00 C ATOM 2105 CG2 VAL A 131 2.363 -6.935 7.226 1.00 0.00 C ATOM 0 H VAL A 131 2.964 -8.018 9.479 1.00 0.00 H new ATOM 0 HA VAL A 131 1.020 -6.155 9.457 1.00 0.00 H new ATOM 0 HB VAL A 131 1.206 -8.652 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.044 -7.361 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.001 -7.625 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.251 -6.040 7.218 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.416 -7.181 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.313 -5.853 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.251 -7.315 7.732 1.00 0.00 H new ATOM 2115 N THR A 132 -0.408 -9.132 9.824 1.00 0.00 N ATOM 2116 CA THR A 132 -1.603 -9.806 10.318 1.00 0.00 C ATOM 2117 C THR A 132 -1.926 -9.376 11.744 1.00 0.00 C ATOM 2118 O THR A 132 -3.081 -9.117 12.078 1.00 0.00 O ATOM 2119 CB THR A 132 -1.441 -11.337 10.279 1.00 0.00 C ATOM 2120 OG1 THR A 132 -0.272 -11.725 11.010 1.00 0.00 O ATOM 2121 CG2 THR A 132 -1.336 -11.834 8.845 1.00 0.00 C ATOM 0 H THR A 132 0.299 -9.757 9.436 1.00 0.00 H new ATOM 0 HA THR A 132 -2.423 -9.519 9.660 1.00 0.00 H new ATOM 0 HB THR A 132 -2.322 -11.785 10.739 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.529 -11.444 10.520 1.00 0.00 H new ATOM 0 HG21 THR A 132 -1.222 -12.918 8.843 1.00 0.00 H new ATOM 0 HG22 THR A 132 -2.240 -11.563 8.299 1.00 0.00 H new ATOM 0 HG23 THR A 132 -0.471 -11.378 8.364 1.00 0.00 H new ATOM 2129 N GLY A 133 -0.897 -9.303 12.583 1.00 0.00 N ATOM 2130 CA GLY A 133 -1.093 -8.903 13.964 1.00 0.00 C ATOM 2131 C GLY A 133 -1.828 -7.583 14.087 1.00 0.00 C ATOM 2132 O GLY A 133 -2.700 -7.427 14.943 1.00 0.00 O ATOM 0 H GLY A 133 0.069 -9.514 12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -1.654 -9.678 14.487 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.124 -8.823 14.457 1.00 0.00 H new ATOM 2136 N PHE A 134 -1.476 -6.629 13.232 1.00 0.00 N ATOM 2137 CA PHE A 134 -2.107 -5.315 13.250 1.00 0.00 C ATOM 2138 C PHE A 134 -3.603 -5.425 12.971 1.00 0.00 C ATOM 2139 O PHE A 134 -4.430 -5.017 13.787 1.00 0.00 O ATOM 2140 CB PHE A 134 -1.450 -4.396 12.217 1.00 0.00 C ATOM 2141 CG PHE A 134 -1.959 -2.984 12.262 1.00 0.00 C ATOM 2142 CD1 PHE A 134 -1.398 -2.058 13.125 1.00 0.00 C ATOM 2143 CD2 PHE A 134 -3.000 -2.583 11.439 1.00 0.00 C ATOM 2144 CE1 PHE A 134 -1.864 -0.757 13.168 1.00 0.00 C ATOM 2145 CE2 PHE A 134 -3.470 -1.284 11.478 1.00 0.00 C ATOM 2146 CZ PHE A 134 -2.902 -0.370 12.344 1.00 0.00 C ATOM 0 H PHE A 134 -0.757 -6.741 12.518 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.972 -4.889 14.244 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -0.372 -4.391 12.380 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -1.619 -4.803 11.220 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.586 -2.356 13.773 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -3.448 -3.293 10.760 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.417 -0.044 13.845 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -4.281 -0.984 10.831 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.269 0.645 12.376 1.00 0.00 H new ATOM 2156 N LEU A 135 -3.942 -5.979 11.812 1.00 0.00 N ATOM 2157 CA LEU A 135 -5.339 -6.144 11.423 1.00 0.00 C ATOM 2158 C LEU A 135 -6.131 -6.846 12.521 1.00 0.00 C ATOM 2159 O LEU A 135 -7.249 -6.449 12.845 1.00 0.00 O ATOM 2160 CB LEU A 135 -5.435 -6.939 10.120 1.00 0.00 C ATOM 2161 CG LEU A 135 -4.562 -6.445 8.966 1.00 0.00 C ATOM 2162 CD1 LEU A 135 -4.177 -7.601 8.056 1.00 0.00 C ATOM 2163 CD2 LEU A 135 -5.283 -5.361 8.178 1.00 0.00 C ATOM 0 H LEU A 135 -3.270 -6.321 11.126 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.767 -5.154 11.269 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -5.172 -7.976 10.330 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.474 -6.934 9.791 1.00 0.00 H new ATOM 0 HG LEU A 135 -3.650 -6.018 9.383 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.556 -7.231 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.621 -8.344 8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -5.078 -8.058 7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -4.647 -5.021 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -6.211 -5.763 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.508 -4.522 8.836 1.00 0.00 H new ATOM 2175 N GLY A 136 -5.542 -7.893 13.092 1.00 0.00 N ATOM 2176 CA GLY A 136 -6.206 -8.633 14.149 1.00 0.00 C ATOM 2177 C GLY A 136 -6.588 -7.751 15.321 1.00 0.00 C ATOM 2178 O GLY A 136 -7.637 -7.946 15.935 1.00 0.00 O ATOM 0 H GLY A 136 -4.617 -8.242 12.841 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.102 -9.108 13.749 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -5.550 -9.431 14.497 1.00 0.00 H new ATOM 2182 N GLU A 137 -5.735 -6.781 15.633 1.00 0.00 N ATOM 2183 CA GLU A 137 -5.989 -5.868 16.742 1.00 0.00 C ATOM 2184 C GLU A 137 -6.885 -4.714 16.302 1.00 0.00 C ATOM 2185 O GLU A 137 -7.992 -4.542 16.815 1.00 0.00 O ATOM 2186 CB GLU A 137 -4.671 -5.323 17.296 1.00 0.00 C ATOM 2187 CG GLU A 137 -4.849 -4.384 18.477 1.00 0.00 C ATOM 2188 CD GLU A 137 -3.631 -4.344 19.379 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -2.523 -4.077 18.867 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -3.784 -4.580 20.595 1.00 0.00 O ATOM 0 H GLU A 137 -4.863 -6.607 15.134 1.00 0.00 H new ATOM 0 HA GLU A 137 -6.501 -6.424 17.527 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.041 -6.159 17.599 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -4.142 -4.797 16.501 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -5.057 -3.379 18.109 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -5.717 -4.697 19.058 1.00 0.00 H new ATOM 2197 N HIS A 138 -6.399 -3.925 15.349 1.00 0.00 N ATOM 2198 CA HIS A 138 -7.155 -2.787 14.840 1.00 0.00 C ATOM 2199 C HIS A 138 -8.288 -3.250 13.929 1.00 0.00 C ATOM 2200 O HIS A 138 -9.464 -3.074 14.244 1.00 0.00 O ATOM 2201 CB HIS A 138 -6.232 -1.833 14.081 1.00 0.00 C ATOM 2202 CG HIS A 138 -5.466 -0.905 14.972 1.00 0.00 C ATOM 2203 ND1 HIS A 138 -5.936 0.335 15.350 1.00 0.00 N ATOM 2204 CD2 HIS A 138 -4.255 -1.043 15.563 1.00 0.00 C ATOM 2205 CE1 HIS A 138 -5.047 0.920 16.133 1.00 0.00 C ATOM 2206 NE2 HIS A 138 -4.018 0.105 16.278 1.00 0.00 N ATOM 0 H HIS A 138 -5.485 -4.053 14.914 1.00 0.00 H new ATOM 0 HA HIS A 138 -7.589 -2.261 15.691 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -5.528 -2.417 13.488 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.827 -1.244 13.382 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -3.598 -1.897 15.486 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -5.145 1.899 16.579 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -3.183 0.297 16.831 1.00 0.00 H new ATOM 2215 N GLY A 139 -7.924 -3.843 12.795 1.00 0.00 N ATOM 2216 CA GLY A 139 -8.921 -4.322 11.856 1.00 0.00 C ATOM 2217 C GLY A 139 -8.966 -3.494 10.587 1.00 0.00 C ATOM 2218 O GLY A 139 -7.943 -2.976 10.140 1.00 0.00 O ATOM 0 H GLY A 139 -6.957 -4.000 12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -8.707 -5.360 11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -9.902 -4.306 12.332 1.00 0.00 H new ATOM 2222 N GLN A 140 -10.155 -3.370 10.005 1.00 0.00 N ATOM 2223 CA GLN A 140 -10.328 -2.601 8.778 1.00 0.00 C ATOM 2224 C GLN A 140 -10.982 -1.254 9.068 1.00 0.00 C ATOM 2225 O GLN A 140 -11.355 -0.965 10.206 1.00 0.00 O ATOM 2226 CB GLN A 140 -11.174 -3.386 7.774 1.00 0.00 C ATOM 2227 CG GLN A 140 -10.354 -4.273 6.850 1.00 0.00 C ATOM 2228 CD GLN A 140 -9.809 -3.520 5.653 1.00 0.00 C ATOM 2229 OE1 GLN A 140 -10.514 -3.304 4.667 1.00 0.00 O ATOM 2230 NE2 GLN A 140 -8.546 -3.116 5.732 1.00 0.00 N ATOM 0 H GLN A 140 -11.012 -3.792 10.363 1.00 0.00 H new ATOM 0 HA GLN A 140 -9.342 -2.421 8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -11.888 -4.004 8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -11.752 -2.685 7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -9.525 -4.707 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -10.973 -5.101 6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -7.998 -3.317 6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -8.124 -2.605 4.956 1.00 0.00 H new ATOM 2239 N LEU A 141 -11.118 -0.433 8.033 1.00 0.00 N ATOM 2240 CA LEU A 141 -11.727 0.885 8.176 1.00 0.00 C ATOM 2241 C LEU A 141 -13.249 0.789 8.134 1.00 0.00 C ATOM 2242 O LEU A 141 -13.933 1.206 9.068 1.00 0.00 O ATOM 2243 CB LEU A 141 -11.232 1.819 7.071 1.00 0.00 C ATOM 2244 CG LEU A 141 -9.914 2.543 7.344 1.00 0.00 C ATOM 2245 CD1 LEU A 141 -8.743 1.579 7.234 1.00 0.00 C ATOM 2246 CD2 LEU A 141 -9.737 3.711 6.385 1.00 0.00 C ATOM 0 H LEU A 141 -10.815 -0.657 7.085 1.00 0.00 H new ATOM 0 HA LEU A 141 -11.434 1.291 9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -11.121 1.239 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -12.002 2.567 6.883 1.00 0.00 H new ATOM 0 HG LEU A 141 -9.942 2.935 8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -7.813 2.112 7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -8.863 0.776 7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -8.713 1.156 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -8.793 4.214 6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -9.731 3.342 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -10.560 4.415 6.513 1.00 0.00 H new ATOM 2258 N ASP A 142 -13.771 0.235 7.045 1.00 0.00 N ATOM 2259 CA ASP A 142 -15.212 0.081 6.882 1.00 0.00 C ATOM 2260 C ASP A 142 -15.930 1.407 7.116 1.00 0.00 C ATOM 2261 O ASP A 142 -16.920 1.469 7.843 1.00 0.00 O ATOM 2262 CB ASP A 142 -15.746 -0.979 7.848 1.00 0.00 C ATOM 2263 CG ASP A 142 -14.984 -2.286 7.751 1.00 0.00 C ATOM 2264 OD1 ASP A 142 -14.454 -2.584 6.660 1.00 0.00 O ATOM 2265 OD2 ASP A 142 -14.919 -3.012 8.765 1.00 0.00 O ATOM 0 H ASP A 142 -13.218 -0.115 6.262 1.00 0.00 H new ATOM 0 HA ASP A 142 -15.405 -0.241 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -15.684 -0.601 8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -16.800 -1.160 7.638 1.00 0.00 H new ATOM 2270 N GLY A 143 -15.423 2.466 6.493 1.00 0.00 N ATOM 2271 CA GLY A 143 -16.027 3.777 6.646 1.00 0.00 C ATOM 2272 C GLY A 143 -17.280 3.939 5.808 1.00 0.00 C ATOM 2273 O GLY A 143 -17.932 2.955 5.455 1.00 0.00 O ATOM 0 H GLY A 143 -14.605 2.440 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -16.272 3.941 7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -15.304 4.542 6.364 1.00 0.00 H new ATOM 2277 N LEU A 144 -17.620 5.183 5.490 1.00 0.00 N ATOM 2278 CA LEU A 144 -18.804 5.472 4.689 1.00 0.00 C ATOM 2279 C LEU A 144 -18.800 4.659 3.398 1.00 0.00 C ATOM 2280 O LEU A 144 -17.752 4.456 2.784 1.00 0.00 O ATOM 2281 CB LEU A 144 -18.874 6.965 4.365 1.00 0.00 C ATOM 2282 CG LEU A 144 -17.998 7.442 3.206 1.00 0.00 C ATOM 2283 CD1 LEU A 144 -18.392 8.849 2.784 1.00 0.00 C ATOM 2284 CD2 LEU A 144 -16.527 7.391 3.593 1.00 0.00 C ATOM 0 H LEU A 144 -17.092 6.008 5.775 1.00 0.00 H new ATOM 0 HA LEU A 144 -19.682 5.192 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -19.910 7.219 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -18.596 7.524 5.259 1.00 0.00 H new ATOM 0 HG LEU A 144 -18.153 6.774 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -17.758 9.172 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -19.434 8.855 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -18.266 9.530 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -15.919 7.734 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -16.355 8.036 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -16.252 6.367 3.845 1.00 0.00 H new ATOM 2296 N SER A 145 -19.978 4.200 2.989 1.00 0.00 N ATOM 2297 CA SER A 145 -20.110 3.409 1.772 1.00 0.00 C ATOM 2298 C SER A 145 -21.341 3.835 0.978 1.00 0.00 C ATOM 2299 O SER A 145 -22.474 3.557 1.371 1.00 0.00 O ATOM 2300 CB SER A 145 -20.199 1.920 2.113 1.00 0.00 C ATOM 2301 OG SER A 145 -19.065 1.497 2.849 1.00 0.00 O ATOM 0 H SER A 145 -20.855 4.363 3.483 1.00 0.00 H new ATOM 0 HA SER A 145 -19.226 3.582 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 145 -21.103 1.729 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 145 -20.279 1.338 1.195 1.00 0.00 H new ATOM 0 HG SER A 145 -19.147 0.543 3.056 1.00 0.00 H new ATOM 2307 N SER A 146 -21.110 4.511 -0.143 1.00 0.00 N ATOM 2308 CA SER A 146 -22.199 4.979 -0.992 1.00 0.00 C ATOM 2309 C SER A 146 -22.906 3.807 -1.665 1.00 0.00 C ATOM 2310 O SER A 146 -24.122 3.650 -1.547 1.00 0.00 O ATOM 2311 CB SER A 146 -21.669 5.946 -2.052 1.00 0.00 C ATOM 2312 OG SER A 146 -20.651 5.341 -2.831 1.00 0.00 O ATOM 0 H SER A 146 -20.178 4.747 -0.484 1.00 0.00 H new ATOM 0 HA SER A 146 -22.919 5.501 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 146 -22.486 6.264 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 146 -21.278 6.841 -1.569 1.00 0.00 H new ATOM 0 HG SER A 146 -20.330 5.979 -3.502 1.00 0.00 H new ATOM 2318 N SER A 147 -22.136 2.986 -2.371 1.00 0.00 N ATOM 2319 CA SER A 147 -22.688 1.829 -3.067 1.00 0.00 C ATOM 2320 C SER A 147 -21.987 0.547 -2.629 1.00 0.00 C ATOM 2321 O SER A 147 -20.777 0.534 -2.400 1.00 0.00 O ATOM 2322 CB SER A 147 -22.553 2.006 -4.581 1.00 0.00 C ATOM 2323 OG SER A 147 -21.205 2.245 -4.948 1.00 0.00 O ATOM 0 H SER A 147 -21.128 3.100 -2.476 1.00 0.00 H new ATOM 0 HA SER A 147 -23.744 1.751 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 147 -22.919 1.114 -5.089 1.00 0.00 H new ATOM 0 HB3 SER A 147 -23.176 2.838 -4.910 1.00 0.00 H new ATOM 0 HG SER A 147 -21.145 2.353 -5.920 1.00 0.00 H new ATOM 2329 N SER A 148 -22.756 -0.531 -2.516 1.00 0.00 N ATOM 2330 CA SER A 148 -22.211 -1.819 -2.102 1.00 0.00 C ATOM 2331 C SER A 148 -21.971 -2.721 -3.309 1.00 0.00 C ATOM 2332 O SER A 148 -22.910 -3.120 -3.996 1.00 0.00 O ATOM 2333 CB SER A 148 -23.161 -2.506 -1.119 1.00 0.00 C ATOM 2334 OG SER A 148 -22.697 -3.803 -0.783 1.00 0.00 O ATOM 0 H SER A 148 -23.758 -0.538 -2.705 1.00 0.00 H new ATOM 0 HA SER A 148 -21.256 -1.640 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 148 -23.252 -1.904 -0.215 1.00 0.00 H new ATOM 0 HB3 SER A 148 -24.156 -2.575 -1.558 1.00 0.00 H new ATOM 0 HG SER A 148 -23.321 -4.220 -0.153 1.00 0.00 H new ATOM 2340 N GLY A 149 -20.704 -3.037 -3.561 1.00 0.00 N ATOM 2341 CA GLY A 149 -20.362 -3.889 -4.685 1.00 0.00 C ATOM 2342 C GLY A 149 -19.868 -5.254 -4.249 1.00 0.00 C ATOM 2343 O GLY A 149 -20.218 -5.751 -3.178 1.00 0.00 O ATOM 0 H GLY A 149 -19.909 -2.718 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -21.236 -4.010 -5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -19.593 -3.402 -5.285 1.00 0.00 H new ATOM 2347 N PRO A 150 -19.036 -5.883 -5.091 1.00 0.00 N ATOM 2348 CA PRO A 150 -18.476 -7.208 -4.809 1.00 0.00 C ATOM 2349 C PRO A 150 -17.460 -7.178 -3.672 1.00 0.00 C ATOM 2350 O PRO A 150 -16.502 -6.405 -3.703 1.00 0.00 O ATOM 2351 CB PRO A 150 -17.795 -7.594 -6.124 1.00 0.00 C ATOM 2352 CG PRO A 150 -17.476 -6.295 -6.781 1.00 0.00 C ATOM 2353 CD PRO A 150 -18.576 -5.349 -6.385 1.00 0.00 C ATOM 0 HA PRO A 150 -19.242 -7.913 -4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -16.893 -8.180 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -18.452 -8.202 -6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -16.505 -5.922 -6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -17.429 -6.407 -7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -18.212 -4.326 -6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -19.379 -5.335 -7.122 1.00 0.00 H new ATOM 2361 N SER A 151 -17.675 -8.024 -2.670 1.00 0.00 N ATOM 2362 CA SER A 151 -16.779 -8.092 -1.521 1.00 0.00 C ATOM 2363 C SER A 151 -15.576 -8.981 -1.822 1.00 0.00 C ATOM 2364 O SER A 151 -14.430 -8.538 -1.751 1.00 0.00 O ATOM 2365 CB SER A 151 -17.526 -8.622 -0.296 1.00 0.00 C ATOM 2366 OG SER A 151 -16.710 -8.567 0.862 1.00 0.00 O ATOM 0 H SER A 151 -18.462 -8.672 -2.630 1.00 0.00 H new ATOM 0 HA SER A 151 -16.420 -7.084 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 151 -18.430 -8.035 -0.136 1.00 0.00 H new ATOM 0 HB3 SER A 151 -17.841 -9.650 -0.475 1.00 0.00 H new ATOM 0 HG SER A 151 -17.211 -8.910 1.632 1.00 0.00 H new ATOM 2372 N SER A 152 -15.847 -10.238 -2.158 1.00 0.00 N ATOM 2373 CA SER A 152 -14.788 -11.192 -2.466 1.00 0.00 C ATOM 2374 C SER A 152 -14.104 -10.838 -3.783 1.00 0.00 C ATOM 2375 O SER A 152 -14.568 -9.972 -4.523 1.00 0.00 O ATOM 2376 CB SER A 152 -15.356 -12.611 -2.538 1.00 0.00 C ATOM 2377 OG SER A 152 -15.939 -12.991 -1.303 1.00 0.00 O ATOM 0 H SER A 152 -16.791 -10.620 -2.224 1.00 0.00 H new ATOM 0 HA SER A 152 -14.047 -11.145 -1.668 1.00 0.00 H new ATOM 0 HB2 SER A 152 -16.104 -12.667 -3.329 1.00 0.00 H new ATOM 0 HB3 SER A 152 -14.562 -13.311 -2.800 1.00 0.00 H new ATOM 0 HG SER A 152 -16.296 -13.901 -1.376 1.00 0.00 H new ATOM 2383 N GLY A 153 -12.996 -11.516 -4.068 1.00 0.00 N ATOM 2384 CA GLY A 153 -12.265 -11.260 -5.295 1.00 0.00 C ATOM 2385 C GLY A 153 -12.251 -12.459 -6.223 1.00 0.00 C ATOM 2386 O GLY A 153 -11.325 -12.627 -7.016 1.00 0.00 O ATOM 0 H GLY A 153 -12.592 -12.238 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -12.713 -10.411 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -11.240 -10.981 -5.052 1.00 0.00 H new TER 2390 GLY A 153