USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 824 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 85 ASN : amide:sc= -0.418 K(o=-0.87,f=0.83) USER MOD Set 1.2: A 108 CYS SG : rot 180:sc= -0.456 USER MOD Set 2.1: A 102 LYS NZ :NH3+ -149:sc= 0.0339 (180deg=0) USER MOD Set 2.2: A 104 THR OG1 : rot 180:sc= 0.0316 USER MOD Set 3.1: A 56 CYS SG : rot 59:sc= 0.0124 USER MOD Set 3.2: A 80 SER OG : rot 86:sc= 0.265 USER MOD Set 4.1: A 45 ASN : amide:sc= -2.76! C(o=-3.1!,f=0.19!) USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= 0.712 USER MOD Set 4.3: A 93 ASN : amide:sc= -1.08! K(o=-3.1!,f=0.27) USER MOD Set 5.1: A 28 HIS : no HE2:sc= -7.55! C(o=-7.6!,f=-6.1!) USER MOD Set 5.2: A 30 TYR OH : rot 30:sc= -0.0277 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 35:sc= 1.27 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -3.1! C(o=-3.1!,f=-5!) USER MOD Single : A 13 ASN : amide:sc= -2.14! C(o=-2.1!,f=-8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.85! X(o=-3.8!,f=-4.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -148:sc= -4.53! (180deg=-8.42!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 30:sc= 0.281 USER MOD Single : A 62 LYS NZ :NH3+ -155:sc=-0.00553 (180deg=-0.618) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.128 K(o=0.13,f=-0.86) USER MOD Single : A 75 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.23) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 22:sc= 1.18 USER MOD Single : A 95 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.17) USER MOD Single : A 97 SER OG : rot 180:sc= -0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.159 -16.882 0.670 1.00 0.00 N ATOM 2 CA GLY A 1 18.349 -17.151 -0.116 1.00 0.00 C ATOM 3 C GLY A 1 19.008 -15.884 -0.623 1.00 0.00 C ATOM 4 O GLY A 1 20.020 -15.442 -0.079 1.00 0.00 O ATOM 0 H1 GLY A 1 16.746 -17.780 0.993 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.412 -16.301 1.495 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.465 -16.372 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.062 -17.710 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.085 -17.784 -0.963 1.00 0.00 H new ATOM 8 N SER A 2 18.435 -15.298 -1.669 1.00 0.00 N ATOM 9 CA SER A 2 18.977 -14.076 -2.253 1.00 0.00 C ATOM 10 C SER A 2 17.998 -12.917 -2.093 1.00 0.00 C ATOM 11 O SER A 2 17.245 -12.594 -3.012 1.00 0.00 O ATOM 12 CB SER A 2 19.293 -14.291 -3.735 1.00 0.00 C ATOM 13 OG SER A 2 20.598 -14.815 -3.907 1.00 0.00 O ATOM 0 H SER A 2 17.596 -15.649 -2.130 1.00 0.00 H new ATOM 0 HA SER A 2 19.897 -13.827 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.563 -14.974 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.204 -13.346 -4.270 1.00 0.00 H new ATOM 0 HG SER A 2 20.775 -14.945 -4.862 1.00 0.00 H new ATOM 19 N SER A 3 18.015 -12.295 -0.919 1.00 0.00 N ATOM 20 CA SER A 3 17.127 -11.174 -0.635 1.00 0.00 C ATOM 21 C SER A 3 17.502 -10.504 0.684 1.00 0.00 C ATOM 22 O SER A 3 17.850 -11.172 1.656 1.00 0.00 O ATOM 23 CB SER A 3 15.673 -11.647 -0.583 1.00 0.00 C ATOM 24 OG SER A 3 15.074 -11.595 -1.867 1.00 0.00 O ATOM 0 H SER A 3 18.634 -12.548 -0.149 1.00 0.00 H new ATOM 0 HA SER A 3 17.236 -10.445 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.632 -12.667 -0.200 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.109 -11.023 0.111 1.00 0.00 H new ATOM 0 HG SER A 3 15.740 -11.824 -2.548 1.00 0.00 H new ATOM 30 N GLY A 4 17.428 -9.176 0.708 1.00 0.00 N ATOM 31 CA GLY A 4 17.763 -8.436 1.910 1.00 0.00 C ATOM 32 C GLY A 4 16.928 -7.181 2.070 1.00 0.00 C ATOM 33 O GLY A 4 17.370 -6.086 1.724 1.00 0.00 O ATOM 0 H GLY A 4 17.142 -8.600 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.620 -9.077 2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.819 -8.165 1.884 1.00 0.00 H new ATOM 37 N SER A 5 15.717 -7.340 2.595 1.00 0.00 N ATOM 38 CA SER A 5 14.816 -6.211 2.794 1.00 0.00 C ATOM 39 C SER A 5 14.720 -5.848 4.273 1.00 0.00 C ATOM 40 O SER A 5 14.269 -6.648 5.092 1.00 0.00 O ATOM 41 CB SER A 5 13.426 -6.538 2.247 1.00 0.00 C ATOM 42 OG SER A 5 12.574 -5.407 2.309 1.00 0.00 O ATOM 0 H SER A 5 15.337 -8.240 2.890 1.00 0.00 H new ATOM 0 HA SER A 5 15.220 -5.356 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.509 -6.879 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.990 -7.357 2.819 1.00 0.00 H new ATOM 0 HG SER A 5 11.692 -5.642 1.952 1.00 0.00 H new ATOM 48 N SER A 6 15.149 -4.635 4.607 1.00 0.00 N ATOM 49 CA SER A 6 15.116 -4.165 5.987 1.00 0.00 C ATOM 50 C SER A 6 13.782 -3.496 6.301 1.00 0.00 C ATOM 51 O SER A 6 13.555 -2.340 5.945 1.00 0.00 O ATOM 52 CB SER A 6 16.263 -3.186 6.242 1.00 0.00 C ATOM 53 OG SER A 6 16.594 -3.135 7.619 1.00 0.00 O ATOM 0 H SER A 6 15.524 -3.960 3.941 1.00 0.00 H new ATOM 0 HA SER A 6 15.233 -5.028 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.138 -3.488 5.666 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.980 -2.192 5.896 1.00 0.00 H new ATOM 0 HG SER A 6 17.331 -2.503 7.755 1.00 0.00 H new ATOM 59 N GLY A 7 12.900 -4.232 6.970 1.00 0.00 N ATOM 60 CA GLY A 7 11.598 -3.695 7.322 1.00 0.00 C ATOM 61 C GLY A 7 10.534 -4.769 7.415 1.00 0.00 C ATOM 62 O GLY A 7 10.820 -5.935 7.688 1.00 0.00 O ATOM 0 H GLY A 7 13.064 -5.191 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.669 -3.175 8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.300 -2.956 6.578 1.00 0.00 H new ATOM 66 N PRO A 8 9.271 -4.378 7.187 1.00 0.00 N ATOM 67 CA PRO A 8 8.134 -5.301 7.243 1.00 0.00 C ATOM 68 C PRO A 8 8.138 -6.296 6.088 1.00 0.00 C ATOM 69 O PRO A 8 8.058 -5.910 4.921 1.00 0.00 O ATOM 70 CB PRO A 8 6.919 -4.374 7.147 1.00 0.00 C ATOM 71 CG PRO A 8 7.421 -3.165 6.437 1.00 0.00 C ATOM 72 CD PRO A 8 8.856 -3.004 6.857 1.00 0.00 C ATOM 0 HA PRO A 8 8.150 -5.913 8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.104 -4.845 6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.534 -4.122 8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.342 -3.286 5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.835 -2.285 6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.464 -2.582 6.057 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.951 -2.338 7.715 1.00 0.00 H new ATOM 80 N LYS A 9 8.231 -7.580 6.419 1.00 0.00 N ATOM 81 CA LYS A 9 8.244 -8.632 5.409 1.00 0.00 C ATOM 82 C LYS A 9 7.266 -8.316 4.282 1.00 0.00 C ATOM 83 O LYS A 9 7.666 -8.149 3.130 1.00 0.00 O ATOM 84 CB LYS A 9 7.890 -9.979 6.043 1.00 0.00 C ATOM 85 CG LYS A 9 8.552 -11.164 5.361 1.00 0.00 C ATOM 86 CD LYS A 9 9.899 -11.486 5.986 1.00 0.00 C ATOM 87 CE LYS A 9 10.944 -10.440 5.628 1.00 0.00 C ATOM 88 NZ LYS A 9 12.326 -10.913 5.918 1.00 0.00 N ATOM 0 H LYS A 9 8.298 -7.917 7.379 1.00 0.00 H new ATOM 0 HA LYS A 9 9.249 -8.687 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.182 -9.965 7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.808 -10.112 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.900 -12.035 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.684 -10.948 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.795 -11.541 7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.233 -12.467 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.860 -10.191 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.749 -9.525 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.008 -10.171 5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.414 -11.127 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.522 -11.771 5.365 1.00 0.00 H new ATOM 102 N ILE A 10 5.984 -8.234 4.622 1.00 0.00 N ATOM 103 CA ILE A 10 4.950 -7.935 3.639 1.00 0.00 C ATOM 104 C ILE A 10 5.213 -6.598 2.954 1.00 0.00 C ATOM 105 O ILE A 10 5.792 -5.688 3.548 1.00 0.00 O ATOM 106 CB ILE A 10 3.552 -7.904 4.284 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.646 -7.423 5.733 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.907 -9.280 4.217 1.00 0.00 C ATOM 109 CD1 ILE A 10 3.790 -8.547 6.735 1.00 0.00 C ATOM 0 H ILE A 10 5.636 -8.371 5.571 1.00 0.00 H new ATOM 0 HA ILE A 10 4.980 -8.732 2.896 1.00 0.00 H new ATOM 0 HB ILE A 10 2.927 -7.205 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.498 -6.750 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.754 -6.845 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.920 -9.242 4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.811 -9.586 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.528 -9.999 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.851 -8.132 7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.926 -9.208 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.697 -9.112 6.520 1.00 0.00 H new ATOM 121 N HIS A 11 4.780 -6.486 1.702 1.00 0.00 N ATOM 122 CA HIS A 11 4.966 -5.258 0.937 1.00 0.00 C ATOM 123 C HIS A 11 3.773 -5.002 0.022 1.00 0.00 C ATOM 124 O HIS A 11 3.205 -5.933 -0.550 1.00 0.00 O ATOM 125 CB HIS A 11 6.250 -5.337 0.110 1.00 0.00 C ATOM 126 CG HIS A 11 6.312 -6.536 -0.786 1.00 0.00 C ATOM 127 ND1 HIS A 11 6.048 -6.480 -2.138 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.613 -7.828 -0.516 1.00 0.00 C ATOM 129 CE1 HIS A 11 6.182 -7.685 -2.661 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.525 -8.522 -1.698 1.00 0.00 N ATOM 0 H HIS A 11 4.299 -7.230 1.196 1.00 0.00 H new ATOM 0 HA HIS A 11 5.046 -4.429 1.641 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.338 -4.435 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 11 7.106 -5.353 0.784 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.789 -5.639 -2.654 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.874 -8.237 0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 11 6.036 -7.943 -3.700 1.00 0.00 H new ATOM 138 N PHE A 12 3.396 -3.735 -0.111 1.00 0.00 N ATOM 139 CA PHE A 12 2.268 -3.357 -0.955 1.00 0.00 C ATOM 140 C PHE A 12 2.662 -3.376 -2.429 1.00 0.00 C ATOM 141 O PHE A 12 3.706 -2.849 -2.811 1.00 0.00 O ATOM 142 CB PHE A 12 1.759 -1.967 -0.570 1.00 0.00 C ATOM 143 CG PHE A 12 0.697 -1.991 0.492 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.402 -2.827 0.373 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.797 -1.177 1.609 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.381 -2.851 1.348 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.179 -1.197 2.588 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.270 -2.035 2.457 1.00 0.00 C ATOM 0 H PHE A 12 3.855 -2.952 0.355 1.00 0.00 H new ATOM 0 HA PHE A 12 1.471 -4.084 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.598 -1.366 -0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.363 -1.475 -1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.494 -3.467 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.647 -0.519 1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.232 -3.507 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.089 -0.558 3.454 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.034 -2.052 3.220 1.00 0.00 H new ATOM 158 N ASN A 13 1.818 -3.989 -3.253 1.00 0.00 N ATOM 159 CA ASN A 13 2.077 -4.078 -4.685 1.00 0.00 C ATOM 160 C ASN A 13 2.666 -2.774 -5.214 1.00 0.00 C ATOM 161 O ASN A 13 3.466 -2.776 -6.150 1.00 0.00 O ATOM 162 CB ASN A 13 0.788 -4.411 -5.439 1.00 0.00 C ATOM 163 CG ASN A 13 -0.390 -3.582 -4.963 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.376 -3.040 -3.857 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.418 -3.481 -5.798 1.00 0.00 N ATOM 0 H ASN A 13 0.949 -4.431 -2.953 1.00 0.00 H new ATOM 0 HA ASN A 13 2.802 -4.876 -4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.940 -4.243 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.559 -5.469 -5.312 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.239 -2.937 -5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.386 -3.947 -6.705 1.00 0.00 H new ATOM 172 N PHE A 14 2.265 -1.662 -4.608 1.00 0.00 N ATOM 173 CA PHE A 14 2.753 -0.350 -5.017 1.00 0.00 C ATOM 174 C PHE A 14 3.073 0.515 -3.802 1.00 0.00 C ATOM 175 O PHE A 14 2.559 0.281 -2.708 1.00 0.00 O ATOM 176 CB PHE A 14 1.716 0.351 -5.897 1.00 0.00 C ATOM 177 CG PHE A 14 0.303 0.170 -5.420 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.077 0.603 -4.159 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.644 -0.433 -6.231 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.376 0.436 -3.717 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.945 -0.602 -5.794 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.311 -0.166 -4.536 1.00 0.00 C ATOM 0 H PHE A 14 1.603 -1.643 -3.832 1.00 0.00 H new ATOM 0 HA PHE A 14 3.669 -0.493 -5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.944 1.416 -5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.799 -0.029 -6.915 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.650 1.076 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.363 -0.775 -7.216 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.660 0.776 -2.732 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.674 -1.074 -6.436 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.327 -0.296 -4.193 1.00 0.00 H new ATOM 192 N GLU A 15 3.926 1.515 -4.002 1.00 0.00 N ATOM 193 CA GLU A 15 4.316 2.414 -2.922 1.00 0.00 C ATOM 194 C GLU A 15 3.268 3.503 -2.715 1.00 0.00 C ATOM 195 O GLU A 15 2.862 3.783 -1.587 1.00 0.00 O ATOM 196 CB GLU A 15 5.675 3.050 -3.224 1.00 0.00 C ATOM 197 CG GLU A 15 6.384 3.583 -1.990 1.00 0.00 C ATOM 198 CD GLU A 15 6.037 5.030 -1.698 1.00 0.00 C ATOM 199 OE1 GLU A 15 6.434 5.907 -2.492 1.00 0.00 O ATOM 200 OE2 GLU A 15 5.367 5.285 -0.675 1.00 0.00 O ATOM 0 H GLU A 15 4.360 1.723 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 15 4.392 1.828 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.313 2.311 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.536 3.866 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.119 2.969 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.462 3.492 -2.127 1.00 0.00 H new ATOM 207 N LEU A 16 2.833 4.113 -3.812 1.00 0.00 N ATOM 208 CA LEU A 16 1.832 5.173 -3.753 1.00 0.00 C ATOM 209 C LEU A 16 0.682 4.890 -4.715 1.00 0.00 C ATOM 210 O LEU A 16 0.902 4.562 -5.882 1.00 0.00 O ATOM 211 CB LEU A 16 2.469 6.523 -4.084 1.00 0.00 C ATOM 212 CG LEU A 16 1.502 7.693 -4.275 1.00 0.00 C ATOM 213 CD1 LEU A 16 0.828 7.610 -5.635 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.464 7.713 -3.163 1.00 0.00 C ATOM 0 H LEU A 16 3.158 3.892 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 16 1.433 5.206 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.165 6.779 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.057 6.411 -4.995 1.00 0.00 H new ATOM 0 HG LEU A 16 2.071 8.622 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.144 8.450 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.585 7.645 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.272 6.676 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.216 8.552 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.101 6.781 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.964 7.821 -2.200 1.00 0.00 H new ATOM 226 N LEU A 17 -0.543 5.021 -4.219 1.00 0.00 N ATOM 227 CA LEU A 17 -1.728 4.783 -5.035 1.00 0.00 C ATOM 228 C LEU A 17 -2.467 6.087 -5.317 1.00 0.00 C ATOM 229 O LEU A 17 -3.171 6.611 -4.454 1.00 0.00 O ATOM 230 CB LEU A 17 -2.663 3.794 -4.336 1.00 0.00 C ATOM 231 CG LEU A 17 -4.051 3.629 -4.955 1.00 0.00 C ATOM 232 CD1 LEU A 17 -3.986 2.727 -6.177 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.030 3.074 -3.931 1.00 0.00 C ATOM 0 H LEU A 17 -0.742 5.291 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.405 4.358 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.178 2.818 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.785 4.110 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.406 4.610 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.983 2.621 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.318 3.166 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.610 1.746 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.013 2.963 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.680 2.102 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.099 3.759 -3.086 1.00 0.00 H new ATOM 245 N ASP A 18 -2.304 6.603 -6.529 1.00 0.00 N ATOM 246 CA ASP A 18 -2.959 7.845 -6.926 1.00 0.00 C ATOM 247 C ASP A 18 -4.347 7.569 -7.496 1.00 0.00 C ATOM 248 O ASP A 18 -4.482 7.096 -8.625 1.00 0.00 O ATOM 249 CB ASP A 18 -2.109 8.587 -7.958 1.00 0.00 C ATOM 250 CG ASP A 18 -2.030 7.851 -9.281 1.00 0.00 C ATOM 251 OD1 ASP A 18 -1.311 6.832 -9.352 1.00 0.00 O ATOM 252 OD2 ASP A 18 -2.687 8.294 -10.246 1.00 0.00 O ATOM 0 H ASP A 18 -1.724 6.181 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.067 8.469 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.527 9.580 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.103 8.727 -7.563 1.00 0.00 H new ATOM 257 N ILE A 19 -5.374 7.866 -6.708 1.00 0.00 N ATOM 258 CA ILE A 19 -6.751 7.650 -7.134 1.00 0.00 C ATOM 259 C ILE A 19 -7.246 8.804 -7.999 1.00 0.00 C ATOM 260 O ILE A 19 -8.432 8.895 -8.312 1.00 0.00 O ATOM 261 CB ILE A 19 -7.695 7.487 -5.928 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.674 8.748 -5.061 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.300 6.268 -5.108 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.526 8.640 -3.817 1.00 0.00 C ATOM 0 H ILE A 19 -5.279 8.257 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.759 6.730 -7.719 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.710 7.340 -6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.646 8.962 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.019 9.594 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.976 6.166 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.361 5.375 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.279 6.388 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.463 9.570 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.562 8.457 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.168 7.815 -3.201 1.00 0.00 H new ATOM 276 N GLY A 20 -6.327 9.684 -8.386 1.00 0.00 N ATOM 277 CA GLY A 20 -6.688 10.820 -9.213 1.00 0.00 C ATOM 278 C GLY A 20 -7.935 11.525 -8.717 1.00 0.00 C ATOM 279 O GLY A 20 -8.172 11.610 -7.512 1.00 0.00 O ATOM 0 H GLY A 20 -5.338 9.630 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.859 11.527 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.848 10.484 -10.237 1.00 0.00 H new ATOM 283 N LYS A 21 -8.734 12.035 -9.648 1.00 0.00 N ATOM 284 CA LYS A 21 -9.964 12.737 -9.300 1.00 0.00 C ATOM 285 C LYS A 21 -11.104 11.753 -9.061 1.00 0.00 C ATOM 286 O LYS A 21 -11.156 10.687 -9.675 1.00 0.00 O ATOM 287 CB LYS A 21 -10.347 13.718 -10.411 1.00 0.00 C ATOM 288 CG LYS A 21 -9.602 15.040 -10.339 1.00 0.00 C ATOM 289 CD LYS A 21 -10.360 16.146 -11.053 1.00 0.00 C ATOM 290 CE LYS A 21 -10.368 15.934 -12.559 1.00 0.00 C ATOM 291 NZ LYS A 21 -9.145 16.487 -13.204 1.00 0.00 N ATOM 0 H LYS A 21 -8.552 11.975 -10.650 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.788 13.291 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.152 13.253 -11.378 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.419 13.911 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.450 15.317 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.614 14.927 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.385 16.183 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.904 17.109 -10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.442 14.868 -12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.251 16.408 -12.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.189 16.322 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.087 17.509 -13.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.304 16.016 -12.814 1.00 0.00 H new ATOM 305 N VAL A 22 -12.017 12.118 -8.167 1.00 0.00 N ATOM 306 CA VAL A 22 -13.158 11.267 -7.849 1.00 0.00 C ATOM 307 C VAL A 22 -14.402 12.101 -7.561 1.00 0.00 C ATOM 308 O VAL A 22 -14.306 13.249 -7.125 1.00 0.00 O ATOM 309 CB VAL A 22 -12.866 10.366 -6.635 1.00 0.00 C ATOM 310 CG1 VAL A 22 -12.106 9.121 -7.065 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.090 11.135 -5.576 1.00 0.00 C ATOM 0 H VAL A 22 -11.989 12.997 -7.650 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.338 10.640 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.815 10.051 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.908 8.496 -6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.703 8.561 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.161 9.412 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.892 10.483 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.145 11.480 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.676 11.993 -5.247 1.00 0.00 H new ATOM 321 N PHE A 23 -15.570 11.517 -7.809 1.00 0.00 N ATOM 322 CA PHE A 23 -16.834 12.207 -7.577 1.00 0.00 C ATOM 323 C PHE A 23 -17.175 12.230 -6.090 1.00 0.00 C ATOM 324 O PHE A 23 -17.224 11.188 -5.435 1.00 0.00 O ATOM 325 CB PHE A 23 -17.960 11.529 -8.360 1.00 0.00 C ATOM 326 CG PHE A 23 -19.070 12.464 -8.744 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.795 13.664 -9.380 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.390 12.144 -8.469 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.815 14.526 -9.734 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.415 13.002 -8.820 1.00 0.00 C ATOM 331 CZ PHE A 23 -21.126 14.195 -9.455 1.00 0.00 C ATOM 0 H PHE A 23 -15.667 10.568 -8.170 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.728 13.235 -7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.545 11.080 -9.263 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.371 10.717 -7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.772 13.928 -9.602 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.621 11.212 -7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.587 15.458 -10.229 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.439 12.741 -8.599 1.00 0.00 H new ATOM 0 HZ PHE A 23 -21.924 14.867 -9.733 1.00 0.00 H new ATOM 341 N THR A 24 -17.411 13.427 -5.562 1.00 0.00 N ATOM 342 CA THR A 24 -17.746 13.589 -4.152 1.00 0.00 C ATOM 343 C THR A 24 -18.971 12.761 -3.781 1.00 0.00 C ATOM 344 O THR A 24 -19.863 12.551 -4.601 1.00 0.00 O ATOM 345 CB THR A 24 -18.013 15.065 -3.804 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.391 15.183 -2.428 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.110 15.640 -4.687 1.00 0.00 C ATOM 0 H THR A 24 -17.376 14.299 -6.090 1.00 0.00 H new ATOM 0 HA THR A 24 -16.887 13.239 -3.580 1.00 0.00 H new ATOM 0 HB THR A 24 -17.096 15.628 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.557 16.125 -2.214 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.281 16.684 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.807 15.576 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.030 15.073 -4.540 1.00 0.00 H new ATOM 355 N GLY A 25 -19.008 12.293 -2.537 1.00 0.00 N ATOM 356 CA GLY A 25 -20.129 11.493 -2.078 1.00 0.00 C ATOM 357 C GLY A 25 -20.073 10.068 -2.592 1.00 0.00 C ATOM 358 O GLY A 25 -19.972 9.123 -1.810 1.00 0.00 O ATOM 0 H GLY A 25 -18.282 12.453 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.142 11.483 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.060 11.957 -2.403 1.00 0.00 H new ATOM 362 N SER A 26 -20.142 9.913 -3.910 1.00 0.00 N ATOM 363 CA SER A 26 -20.105 8.592 -4.527 1.00 0.00 C ATOM 364 C SER A 26 -18.993 7.741 -3.922 1.00 0.00 C ATOM 365 O SER A 26 -17.916 8.244 -3.602 1.00 0.00 O ATOM 366 CB SER A 26 -19.902 8.718 -6.038 1.00 0.00 C ATOM 367 OG SER A 26 -21.077 9.190 -6.673 1.00 0.00 O ATOM 0 H SER A 26 -20.224 10.685 -4.571 1.00 0.00 H new ATOM 0 HA SER A 26 -21.059 8.101 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 26 -19.076 9.400 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 26 -19.625 7.749 -6.453 1.00 0.00 H new ATOM 0 HG SER A 26 -20.921 9.263 -7.638 1.00 0.00 H new ATOM 373 N ALA A 27 -19.262 6.449 -3.768 1.00 0.00 N ATOM 374 CA ALA A 27 -18.285 5.527 -3.204 1.00 0.00 C ATOM 375 C ALA A 27 -17.535 4.781 -4.302 1.00 0.00 C ATOM 376 O ALA A 27 -18.138 4.291 -5.257 1.00 0.00 O ATOM 377 CB ALA A 27 -18.969 4.541 -2.267 1.00 0.00 C ATOM 0 H ALA A 27 -20.149 6.017 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.560 6.109 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.227 3.858 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.453 5.085 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.717 3.972 -2.820 1.00 0.00 H new ATOM 383 N HIS A 28 -16.215 4.701 -4.162 1.00 0.00 N ATOM 384 CA HIS A 28 -15.383 4.015 -5.143 1.00 0.00 C ATOM 385 C HIS A 28 -14.957 2.642 -4.631 1.00 0.00 C ATOM 386 O HIS A 28 -15.072 2.351 -3.440 1.00 0.00 O ATOM 387 CB HIS A 28 -14.148 4.855 -5.471 1.00 0.00 C ATOM 388 CG HIS A 28 -14.454 6.086 -6.267 1.00 0.00 C ATOM 389 ND1 HIS A 28 -13.801 6.407 -7.438 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.352 7.076 -6.055 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.283 7.543 -7.911 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.226 7.969 -7.090 1.00 0.00 N ATOM 0 H HIS A 28 -15.700 5.103 -3.379 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.972 3.878 -6.050 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.659 5.146 -4.541 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.438 4.241 -6.025 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -13.062 5.854 -7.872 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.040 7.150 -5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.961 8.039 -8.815 1.00 0.00 H new ATOM 400 N CYS A 29 -14.468 1.804 -5.537 1.00 0.00 N ATOM 401 CA CYS A 29 -14.027 0.461 -5.177 1.00 0.00 C ATOM 402 C CYS A 29 -12.550 0.267 -5.504 1.00 0.00 C ATOM 403 O CYS A 29 -12.154 0.282 -6.670 1.00 0.00 O ATOM 404 CB CYS A 29 -14.865 -0.587 -5.910 1.00 0.00 C ATOM 405 SG CYS A 29 -16.638 -0.483 -5.571 1.00 0.00 S ATOM 0 H CYS A 29 -14.367 2.030 -6.526 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.162 0.338 -4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.704 -0.480 -6.983 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.510 -1.580 -5.632 1.00 0.00 H new ATOM 0 HG CYS A 29 -17.262 -1.408 -6.238 1.00 0.00 H new ATOM 411 N TYR A 30 -11.739 0.088 -4.467 1.00 0.00 N ATOM 412 CA TYR A 30 -10.304 -0.104 -4.644 1.00 0.00 C ATOM 413 C TYR A 30 -9.866 -1.463 -4.104 1.00 0.00 C ATOM 414 O TYR A 30 -10.660 -2.192 -3.511 1.00 0.00 O ATOM 415 CB TYR A 30 -9.529 1.011 -3.940 1.00 0.00 C ATOM 416 CG TYR A 30 -10.034 2.398 -4.266 1.00 0.00 C ATOM 417 CD1 TYR A 30 -9.535 3.103 -5.355 1.00 0.00 C ATOM 418 CD2 TYR A 30 -11.011 3.004 -3.485 1.00 0.00 C ATOM 419 CE1 TYR A 30 -9.993 4.371 -5.655 1.00 0.00 C ATOM 420 CE2 TYR A 30 -11.476 4.271 -3.780 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.964 4.951 -4.865 1.00 0.00 C ATOM 422 OH TYR A 30 -11.424 6.213 -5.162 1.00 0.00 O ATOM 0 H TYR A 30 -12.050 0.072 -3.496 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.087 -0.070 -5.712 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.585 0.857 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.477 0.942 -4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.776 2.652 -5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.413 2.476 -2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.593 4.906 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.237 4.727 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.365 6.364 -6.129 1.00 0.00 H new ATOM 432 N GLU A 31 -8.596 -1.794 -4.315 1.00 0.00 N ATOM 433 CA GLU A 31 -8.051 -3.064 -3.851 1.00 0.00 C ATOM 434 C GLU A 31 -6.535 -2.984 -3.701 1.00 0.00 C ATOM 435 O GLU A 31 -5.831 -2.570 -4.622 1.00 0.00 O ATOM 436 CB GLU A 31 -8.421 -4.188 -4.821 1.00 0.00 C ATOM 437 CG GLU A 31 -8.178 -5.580 -4.261 1.00 0.00 C ATOM 438 CD GLU A 31 -8.304 -6.663 -5.314 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.963 -6.393 -6.485 1.00 0.00 O ATOM 440 OE2 GLU A 31 -8.744 -7.779 -4.969 1.00 0.00 O ATOM 0 H GLU A 31 -7.926 -1.201 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.484 -3.280 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.473 -4.092 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.845 -4.069 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.182 -5.621 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.890 -5.774 -3.459 1.00 0.00 H new ATOM 447 N ALA A 32 -6.039 -3.384 -2.535 1.00 0.00 N ATOM 448 CA ALA A 32 -4.607 -3.359 -2.265 1.00 0.00 C ATOM 449 C ALA A 32 -4.075 -4.762 -1.991 1.00 0.00 C ATOM 450 O ALA A 32 -4.484 -5.413 -1.029 1.00 0.00 O ATOM 451 CB ALA A 32 -4.307 -2.440 -1.089 1.00 0.00 C ATOM 0 H ALA A 32 -6.608 -3.729 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.102 -2.974 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.234 -2.431 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.643 -1.429 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.830 -2.800 -0.203 1.00 0.00 H new ATOM 457 N ILE A 33 -3.164 -5.220 -2.842 1.00 0.00 N ATOM 458 CA ILE A 33 -2.577 -6.546 -2.691 1.00 0.00 C ATOM 459 C ILE A 33 -1.308 -6.492 -1.847 1.00 0.00 C ATOM 460 O ILE A 33 -0.429 -5.662 -2.080 1.00 0.00 O ATOM 461 CB ILE A 33 -2.245 -7.174 -4.057 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.244 -6.702 -5.116 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.248 -8.692 -3.957 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.689 -6.887 -4.708 1.00 0.00 C ATOM 0 H ILE A 33 -2.816 -4.693 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.320 -7.164 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.248 -6.851 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.067 -5.647 -5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.064 -7.247 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.012 -9.121 -4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.501 -9.010 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.233 -9.034 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.341 -6.531 -5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.883 -7.944 -4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.886 -6.319 -3.799 1.00 0.00 H new ATOM 476 N LEU A 34 -1.218 -7.384 -0.867 1.00 0.00 N ATOM 477 CA LEU A 34 -0.055 -7.441 0.012 1.00 0.00 C ATOM 478 C LEU A 34 0.686 -8.764 -0.149 1.00 0.00 C ATOM 479 O LEU A 34 0.173 -9.823 0.216 1.00 0.00 O ATOM 480 CB LEU A 34 -0.483 -7.257 1.469 1.00 0.00 C ATOM 481 CG LEU A 34 0.569 -6.667 2.409 1.00 0.00 C ATOM 482 CD1 LEU A 34 0.815 -5.202 2.083 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.139 -6.828 3.860 1.00 0.00 C ATOM 0 H LEU A 34 -1.937 -8.078 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 34 0.620 -6.632 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.362 -6.613 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.789 -8.227 1.862 1.00 0.00 H new ATOM 0 HG LEU A 34 1.502 -7.211 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.566 -4.799 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.169 -5.112 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.114 -4.643 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.900 -6.402 4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.807 -6.310 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.016 -7.887 4.088 1.00 0.00 H new ATOM 495 N TYR A 35 1.894 -8.697 -0.696 1.00 0.00 N ATOM 496 CA TYR A 35 2.706 -9.890 -0.906 1.00 0.00 C ATOM 497 C TYR A 35 3.502 -10.234 0.349 1.00 0.00 C ATOM 498 O TYR A 35 4.308 -9.436 0.824 1.00 0.00 O ATOM 499 CB TYR A 35 3.656 -9.684 -2.087 1.00 0.00 C ATOM 500 CG TYR A 35 2.955 -9.618 -3.425 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.191 -8.512 -3.777 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.054 -10.662 -4.336 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.548 -8.447 -4.998 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.416 -10.605 -5.560 1.00 0.00 C ATOM 505 CZ TYR A 35 1.664 -9.496 -5.886 1.00 0.00 C ATOM 506 OH TYR A 35 1.025 -9.437 -7.103 1.00 0.00 O ATOM 0 H TYR A 35 2.333 -7.829 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 35 2.036 -10.721 -1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.217 -8.762 -1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.380 -10.498 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.098 -7.689 -3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.640 -11.533 -4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.958 -7.580 -5.256 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.506 -11.424 -6.258 1.00 0.00 H new ATOM 0 HH TYR A 35 1.210 -10.255 -7.610 1.00 0.00 H new ATOM 516 N ASN A 36 3.270 -11.431 0.879 1.00 0.00 N ATOM 517 CA ASN A 36 3.965 -11.883 2.078 1.00 0.00 C ATOM 518 C ASN A 36 5.305 -12.520 1.723 1.00 0.00 C ATOM 519 O ASN A 36 5.356 -13.619 1.170 1.00 0.00 O ATOM 520 CB ASN A 36 3.100 -12.884 2.848 1.00 0.00 C ATOM 521 CG ASN A 36 3.780 -13.387 4.106 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.526 -12.656 4.757 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.523 -14.643 4.455 1.00 0.00 N ATOM 0 H ASN A 36 2.606 -12.105 0.497 1.00 0.00 H new ATOM 0 HA ASN A 36 4.152 -11.014 2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.153 -12.413 3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.865 -13.730 2.202 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.951 -15.037 5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.898 -15.213 3.885 1.00 0.00 H new ATOM 530 N LYS A 37 6.389 -11.823 2.045 1.00 0.00 N ATOM 531 CA LYS A 37 7.731 -12.320 1.762 1.00 0.00 C ATOM 532 C LYS A 37 8.261 -13.149 2.927 1.00 0.00 C ATOM 533 O LYS A 37 9.465 -13.373 3.045 1.00 0.00 O ATOM 534 CB LYS A 37 8.680 -11.153 1.479 1.00 0.00 C ATOM 535 CG LYS A 37 8.563 -10.602 0.069 1.00 0.00 C ATOM 536 CD LYS A 37 9.231 -11.516 -0.944 1.00 0.00 C ATOM 537 CE LYS A 37 8.566 -11.417 -2.308 1.00 0.00 C ATOM 538 NZ LYS A 37 9.520 -11.710 -3.414 1.00 0.00 N ATOM 0 H LYS A 37 6.365 -10.912 2.502 1.00 0.00 H new ATOM 0 HA LYS A 37 7.677 -12.958 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.480 -10.352 2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.706 -11.481 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.511 -10.479 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.019 -9.613 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.285 -11.254 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.187 -12.546 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.730 -12.115 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.154 -10.416 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.028 -11.632 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.305 -11.029 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.894 -12.674 -3.304 1.00 0.00 H new ATOM 552 N GLY A 38 7.353 -13.604 3.786 1.00 0.00 N ATOM 553 CA GLY A 38 7.749 -14.404 4.930 1.00 0.00 C ATOM 554 C GLY A 38 7.835 -15.882 4.601 1.00 0.00 C ATOM 555 O GLY A 38 7.231 -16.346 3.634 1.00 0.00 O ATOM 0 H GLY A 38 6.350 -13.433 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.717 -14.059 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.033 -14.256 5.739 1.00 0.00 H new ATOM 559 N SER A 39 8.589 -16.622 5.407 1.00 0.00 N ATOM 560 CA SER A 39 8.757 -18.055 5.194 1.00 0.00 C ATOM 561 C SER A 39 7.538 -18.825 5.692 1.00 0.00 C ATOM 562 O SER A 39 7.185 -19.871 5.147 1.00 0.00 O ATOM 563 CB SER A 39 10.015 -18.554 5.906 1.00 0.00 C ATOM 564 OG SER A 39 10.170 -19.954 5.747 1.00 0.00 O ATOM 0 H SER A 39 9.093 -16.253 6.213 1.00 0.00 H new ATOM 0 HA SER A 39 8.862 -18.228 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.890 -18.041 5.507 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.958 -18.309 6.967 1.00 0.00 H new ATOM 0 HG SER A 39 10.982 -20.248 6.210 1.00 0.00 H new ATOM 570 N ILE A 40 6.898 -18.299 6.731 1.00 0.00 N ATOM 571 CA ILE A 40 5.718 -18.936 7.303 1.00 0.00 C ATOM 572 C ILE A 40 4.570 -17.941 7.442 1.00 0.00 C ATOM 573 O ILE A 40 4.711 -16.764 7.110 1.00 0.00 O ATOM 574 CB ILE A 40 6.021 -19.549 8.683 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.589 -18.484 9.624 1.00 0.00 C ATOM 576 CG2 ILE A 40 6.991 -20.712 8.544 1.00 0.00 C ATOM 577 CD1 ILE A 40 5.526 -17.656 10.311 1.00 0.00 C ATOM 0 H ILE A 40 7.177 -17.434 7.194 1.00 0.00 H new ATOM 0 HA ILE A 40 5.426 -19.732 6.618 1.00 0.00 H new ATOM 0 HB ILE A 40 5.091 -19.926 9.109 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.205 -18.970 10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.244 -17.822 9.057 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.195 -21.135 9.528 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.552 -21.477 7.904 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.922 -20.358 8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.001 -16.922 10.962 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.925 -17.141 9.561 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.885 -18.307 10.905 1.00 0.00 H new ATOM 589 N ASP A 41 3.435 -18.422 7.936 1.00 0.00 N ATOM 590 CA ASP A 41 2.262 -17.575 8.122 1.00 0.00 C ATOM 591 C ASP A 41 2.649 -16.246 8.763 1.00 0.00 C ATOM 592 O ASP A 41 3.237 -16.214 9.843 1.00 0.00 O ATOM 593 CB ASP A 41 1.223 -18.289 8.988 1.00 0.00 C ATOM 594 CG ASP A 41 1.858 -19.175 10.043 1.00 0.00 C ATOM 595 OD1 ASP A 41 2.340 -20.270 9.686 1.00 0.00 O ATOM 596 OD2 ASP A 41 1.871 -18.772 11.225 1.00 0.00 O ATOM 0 H ASP A 41 3.302 -19.394 8.215 1.00 0.00 H new ATOM 0 HA ASP A 41 1.830 -17.374 7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.588 -17.548 9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.577 -18.893 8.351 1.00 0.00 H new ATOM 601 N ALA A 42 2.315 -15.151 8.088 1.00 0.00 N ATOM 602 CA ALA A 42 2.627 -13.819 8.591 1.00 0.00 C ATOM 603 C ALA A 42 1.359 -13.074 8.995 1.00 0.00 C ATOM 604 O ALA A 42 0.366 -13.077 8.266 1.00 0.00 O ATOM 605 CB ALA A 42 3.396 -13.026 7.545 1.00 0.00 C ATOM 0 H ALA A 42 1.828 -15.160 7.192 1.00 0.00 H new ATOM 0 HA ALA A 42 3.251 -13.930 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.622 -12.033 7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.326 -13.543 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.792 -12.933 6.643 1.00 0.00 H new ATOM 611 N LEU A 43 1.398 -12.438 10.160 1.00 0.00 N ATOM 612 CA LEU A 43 0.251 -11.689 10.662 1.00 0.00 C ATOM 613 C LEU A 43 0.369 -10.210 10.308 1.00 0.00 C ATOM 614 O LEU A 43 1.471 -9.685 10.148 1.00 0.00 O ATOM 615 CB LEU A 43 0.132 -11.854 12.178 1.00 0.00 C ATOM 616 CG LEU A 43 0.204 -13.288 12.704 1.00 0.00 C ATOM 617 CD1 LEU A 43 0.682 -13.303 14.148 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.151 -13.970 12.582 1.00 0.00 C ATOM 0 H LEU A 43 2.211 -12.426 10.775 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.646 -12.087 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.926 -11.275 12.650 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.814 -11.418 12.498 1.00 0.00 H new ATOM 0 HG LEU A 43 0.922 -13.841 12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.727 -14.332 14.506 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.674 -12.854 14.208 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.012 -12.734 14.767 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.081 -14.990 12.961 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.890 -13.417 13.162 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.454 -13.992 11.535 1.00 0.00 H new ATOM 630 N PHE A 44 -0.774 -9.542 10.188 1.00 0.00 N ATOM 631 CA PHE A 44 -0.798 -8.122 9.855 1.00 0.00 C ATOM 632 C PHE A 44 -2.089 -7.471 10.343 1.00 0.00 C ATOM 633 O PHE A 44 -3.087 -8.150 10.581 1.00 0.00 O ATOM 634 CB PHE A 44 -0.657 -7.930 8.343 1.00 0.00 C ATOM 635 CG PHE A 44 -1.920 -8.211 7.582 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.293 -9.513 7.289 1.00 0.00 C ATOM 637 CD2 PHE A 44 -2.735 -7.174 7.158 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.455 -9.776 6.589 1.00 0.00 C ATOM 639 CE2 PHE A 44 -3.899 -7.430 6.458 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.259 -8.733 6.172 1.00 0.00 C ATOM 0 H PHE A 44 -1.695 -9.961 10.316 1.00 0.00 H new ATOM 0 HA PHE A 44 0.042 -7.642 10.356 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.342 -6.906 8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.133 -8.584 7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.668 -10.332 7.612 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.458 -6.153 7.377 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.734 -10.796 6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.526 -6.612 6.135 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.167 -8.936 5.624 1.00 0.00 H new ATOM 650 N ASN A 45 -2.060 -6.151 10.490 1.00 0.00 N ATOM 651 CA ASN A 45 -3.226 -5.407 10.951 1.00 0.00 C ATOM 652 C ASN A 45 -3.182 -3.964 10.457 1.00 0.00 C ATOM 653 O ASN A 45 -2.107 -3.407 10.235 1.00 0.00 O ATOM 654 CB ASN A 45 -3.302 -5.432 12.479 1.00 0.00 C ATOM 655 CG ASN A 45 -4.167 -4.317 13.034 1.00 0.00 C ATOM 656 OD1 ASN A 45 -5.300 -4.119 12.595 1.00 0.00 O ATOM 657 ND2 ASN A 45 -3.635 -3.582 14.003 1.00 0.00 N ATOM 0 H ASN A 45 -1.241 -5.574 10.296 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.116 -5.886 10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.700 -6.393 12.804 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.297 -5.347 12.891 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.169 -2.817 14.415 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.692 -3.782 14.336 1.00 0.00 H new ATOM 664 N MET A 46 -4.356 -3.366 10.288 1.00 0.00 N ATOM 665 CA MET A 46 -4.451 -1.987 9.822 1.00 0.00 C ATOM 666 C MET A 46 -4.558 -1.022 10.998 1.00 0.00 C ATOM 667 O MET A 46 -5.135 -1.351 12.035 1.00 0.00 O ATOM 668 CB MET A 46 -5.660 -1.820 8.899 1.00 0.00 C ATOM 669 CG MET A 46 -5.596 -2.687 7.652 1.00 0.00 C ATOM 670 SD MET A 46 -4.355 -2.119 6.474 1.00 0.00 S ATOM 671 CE MET A 46 -4.733 -0.370 6.400 1.00 0.00 C ATOM 0 H MET A 46 -5.255 -3.814 10.467 1.00 0.00 H new ATOM 0 HA MET A 46 -3.543 -1.755 9.265 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.567 -2.062 9.454 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.738 -0.774 8.601 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.375 -3.715 7.940 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.573 -2.695 7.169 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.510 0.009 5.402 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.790 -0.217 6.619 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.129 0.164 7.134 1.00 0.00 H new ATOM 681 N THR A 47 -3.999 0.172 10.831 1.00 0.00 N ATOM 682 CA THR A 47 -4.030 1.185 11.879 1.00 0.00 C ATOM 683 C THR A 47 -5.103 2.231 11.601 1.00 0.00 C ATOM 684 O THR A 47 -5.209 2.768 10.497 1.00 0.00 O ATOM 685 CB THR A 47 -2.667 1.888 12.022 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.771 1.070 12.782 1.00 0.00 O ATOM 687 CG2 THR A 47 -2.825 3.241 12.699 1.00 0.00 C ATOM 0 H THR A 47 -3.519 0.462 9.979 1.00 0.00 H new ATOM 0 HA THR A 47 -4.263 0.669 12.810 1.00 0.00 H new ATOM 0 HB THR A 47 -2.257 2.044 11.024 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.906 1.523 12.867 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.849 3.719 12.789 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.484 3.872 12.102 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.255 3.103 13.691 1.00 0.00 H new ATOM 695 N PRO A 48 -5.917 2.532 12.623 1.00 0.00 N ATOM 696 CA PRO A 48 -6.996 3.518 12.512 1.00 0.00 C ATOM 697 C PRO A 48 -6.468 4.943 12.387 1.00 0.00 C ATOM 698 O PRO A 48 -5.622 5.387 13.163 1.00 0.00 O ATOM 699 CB PRO A 48 -7.768 3.347 13.823 1.00 0.00 C ATOM 700 CG PRO A 48 -6.771 2.794 14.781 1.00 0.00 C ATOM 701 CD PRO A 48 -5.848 1.931 13.966 1.00 0.00 C ATOM 0 HA PRO A 48 -7.603 3.360 11.620 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.168 4.298 14.174 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.614 2.671 13.699 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.221 3.594 15.277 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.261 2.212 15.562 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.832 1.945 14.361 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.173 0.891 13.958 1.00 0.00 H new ATOM 709 N PRO A 49 -6.978 5.678 11.387 1.00 0.00 N ATOM 710 CA PRO A 49 -6.572 7.064 11.138 1.00 0.00 C ATOM 711 C PRO A 49 -7.066 8.017 12.221 1.00 0.00 C ATOM 712 O PRO A 49 -7.907 7.655 13.045 1.00 0.00 O ATOM 713 CB PRO A 49 -7.233 7.391 9.796 1.00 0.00 C ATOM 714 CG PRO A 49 -8.404 6.473 9.717 1.00 0.00 C ATOM 715 CD PRO A 49 -7.990 5.212 10.424 1.00 0.00 C ATOM 0 HA PRO A 49 -5.488 7.177 11.134 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.544 8.435 9.752 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.546 7.228 8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.280 6.916 10.191 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.671 6.269 8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.833 4.737 10.925 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.578 4.479 9.730 1.00 0.00 H new ATOM 723 N THR A 50 -6.538 9.237 12.216 1.00 0.00 N ATOM 724 CA THR A 50 -6.925 10.242 13.198 1.00 0.00 C ATOM 725 C THR A 50 -7.316 11.550 12.522 1.00 0.00 C ATOM 726 O THR A 50 -7.206 12.624 13.115 1.00 0.00 O ATOM 727 CB THR A 50 -5.787 10.515 14.200 1.00 0.00 C ATOM 728 OG1 THR A 50 -5.180 9.281 14.601 1.00 0.00 O ATOM 729 CG2 THR A 50 -6.310 11.250 15.425 1.00 0.00 C ATOM 0 H THR A 50 -5.841 9.553 11.542 1.00 0.00 H new ATOM 0 HA THR A 50 -7.785 9.843 13.736 1.00 0.00 H new ATOM 0 HB THR A 50 -5.043 11.142 13.709 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.457 9.464 15.236 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.489 11.432 16.118 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.745 12.202 15.120 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.071 10.644 15.916 1.00 0.00 H new ATOM 737 N SER A 51 -7.775 11.454 11.278 1.00 0.00 N ATOM 738 CA SER A 51 -8.180 12.632 10.520 1.00 0.00 C ATOM 739 C SER A 51 -9.546 12.419 9.874 1.00 0.00 C ATOM 740 O SER A 51 -9.845 11.336 9.373 1.00 0.00 O ATOM 741 CB SER A 51 -7.140 12.955 9.445 1.00 0.00 C ATOM 742 OG SER A 51 -7.203 14.320 9.068 1.00 0.00 O ATOM 0 H SER A 51 -7.876 10.573 10.774 1.00 0.00 H new ATOM 0 HA SER A 51 -8.251 13.472 11.211 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.142 12.723 9.818 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.308 12.325 8.571 1.00 0.00 H new ATOM 0 HG SER A 51 -6.528 14.501 8.381 1.00 0.00 H new ATOM 748 N ALA A 52 -10.370 13.461 9.891 1.00 0.00 N ATOM 749 CA ALA A 52 -11.703 13.390 9.306 1.00 0.00 C ATOM 750 C ALA A 52 -11.682 12.635 7.982 1.00 0.00 C ATOM 751 O ALA A 52 -12.446 11.690 7.782 1.00 0.00 O ATOM 752 CB ALA A 52 -12.269 14.789 9.110 1.00 0.00 C ATOM 0 H ALA A 52 -10.138 14.365 10.304 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.347 12.843 9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.265 14.721 8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.330 15.295 10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.618 15.355 8.444 1.00 0.00 H new ATOM 758 N LEU A 53 -10.804 13.058 7.079 1.00 0.00 N ATOM 759 CA LEU A 53 -10.684 12.422 5.772 1.00 0.00 C ATOM 760 C LEU A 53 -10.297 10.953 5.915 1.00 0.00 C ATOM 761 O LEU A 53 -11.063 10.061 5.554 1.00 0.00 O ATOM 762 CB LEU A 53 -9.646 13.154 4.920 1.00 0.00 C ATOM 763 CG LEU A 53 -9.868 13.111 3.407 1.00 0.00 C ATOM 764 CD1 LEU A 53 -9.820 11.678 2.902 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.194 13.762 3.044 1.00 0.00 C ATOM 0 H LEU A 53 -10.165 13.839 7.228 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.654 12.477 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.619 14.198 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.665 12.731 5.135 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.067 13.672 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.980 11.667 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.846 11.245 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.600 11.094 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.335 13.722 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.008 13.229 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.191 14.802 3.372 1.00 0.00 H new ATOM 777 N GLY A 54 -9.102 10.710 6.445 1.00 0.00 N ATOM 778 CA GLY A 54 -8.635 9.348 6.628 1.00 0.00 C ATOM 779 C GLY A 54 -9.714 8.434 7.173 1.00 0.00 C ATOM 780 O GLY A 54 -9.870 7.304 6.711 1.00 0.00 O ATOM 0 H GLY A 54 -8.449 11.432 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.280 8.958 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.784 9.347 7.309 1.00 0.00 H new ATOM 784 N ALA A 55 -10.459 8.922 8.160 1.00 0.00 N ATOM 785 CA ALA A 55 -11.528 8.140 8.768 1.00 0.00 C ATOM 786 C ALA A 55 -12.482 7.597 7.709 1.00 0.00 C ATOM 787 O ALA A 55 -12.869 6.429 7.749 1.00 0.00 O ATOM 788 CB ALA A 55 -12.287 8.984 9.782 1.00 0.00 C ATOM 0 H ALA A 55 -10.342 9.855 8.555 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.077 7.291 9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.083 8.388 10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.603 9.319 10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.720 9.851 9.283 1.00 0.00 H new ATOM 794 N CYS A 56 -12.857 8.452 6.764 1.00 0.00 N ATOM 795 CA CYS A 56 -13.767 8.058 5.694 1.00 0.00 C ATOM 796 C CYS A 56 -13.341 6.729 5.079 1.00 0.00 C ATOM 797 O CYS A 56 -14.168 5.849 4.842 1.00 0.00 O ATOM 798 CB CYS A 56 -13.818 9.140 4.615 1.00 0.00 C ATOM 799 SG CYS A 56 -14.489 10.720 5.184 1.00 0.00 S ATOM 0 H CYS A 56 -12.545 9.422 6.717 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.761 7.936 6.123 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.811 9.303 4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.422 8.780 3.783 1.00 0.00 H new ATOM 0 HG CYS A 56 -13.761 11.174 6.161 1.00 0.00 H new ATOM 805 N PHE A 57 -12.044 6.591 4.822 1.00 0.00 N ATOM 806 CA PHE A 57 -11.508 5.370 4.232 1.00 0.00 C ATOM 807 C PHE A 57 -11.812 4.161 5.112 1.00 0.00 C ATOM 808 O PHE A 57 -12.026 4.294 6.317 1.00 0.00 O ATOM 809 CB PHE A 57 -9.997 5.499 4.027 1.00 0.00 C ATOM 810 CG PHE A 57 -9.622 6.360 2.855 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.461 5.806 1.595 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.431 7.723 3.013 1.00 0.00 C ATOM 813 CE1 PHE A 57 -9.116 6.595 0.514 1.00 0.00 C ATOM 814 CE2 PHE A 57 -9.086 8.517 1.936 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.928 7.953 0.685 1.00 0.00 C ATOM 0 H PHE A 57 -11.345 7.309 5.013 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.988 5.222 3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.550 5.914 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.571 4.505 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.607 4.745 1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.553 8.170 3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.994 6.151 -0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.940 9.578 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.658 8.572 -0.158 1.00 0.00 H new ATOM 825 N VAL A 58 -11.830 2.981 4.501 1.00 0.00 N ATOM 826 CA VAL A 58 -12.108 1.748 5.227 1.00 0.00 C ATOM 827 C VAL A 58 -11.256 0.597 4.703 1.00 0.00 C ATOM 828 O VAL A 58 -11.508 0.068 3.620 1.00 0.00 O ATOM 829 CB VAL A 58 -13.594 1.359 5.126 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.854 0.046 5.849 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.474 2.468 5.684 1.00 0.00 C ATOM 0 H VAL A 58 -11.655 2.853 3.504 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.859 1.934 6.272 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.844 1.222 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.910 -0.212 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.251 -0.743 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.587 0.151 6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.521 2.176 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.223 2.639 6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.309 3.384 5.117 1.00 0.00 H new ATOM 841 N PHE A 59 -10.246 0.215 5.477 1.00 0.00 N ATOM 842 CA PHE A 59 -9.355 -0.873 5.090 1.00 0.00 C ATOM 843 C PHE A 59 -9.740 -2.168 5.800 1.00 0.00 C ATOM 844 O PHE A 59 -9.979 -2.180 7.007 1.00 0.00 O ATOM 845 CB PHE A 59 -7.904 -0.512 5.414 1.00 0.00 C ATOM 846 CG PHE A 59 -7.332 0.542 4.510 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.824 1.837 4.535 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.303 0.237 3.634 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.300 2.808 3.703 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.775 1.205 2.799 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.273 2.492 2.835 1.00 0.00 C ATOM 0 H PHE A 59 -10.024 0.643 6.376 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.452 -1.025 4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.846 -0.165 6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.290 -1.410 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.626 2.090 5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.909 -0.768 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.693 3.813 3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.974 0.954 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.861 3.250 2.186 1.00 0.00 H new ATOM 861 N SER A 60 -9.798 -3.257 5.040 1.00 0.00 N ATOM 862 CA SER A 60 -10.157 -4.558 5.593 1.00 0.00 C ATOM 863 C SER A 60 -9.535 -5.686 4.777 1.00 0.00 C ATOM 864 O SER A 60 -9.160 -5.514 3.617 1.00 0.00 O ATOM 865 CB SER A 60 -11.678 -4.717 5.630 1.00 0.00 C ATOM 866 OG SER A 60 -12.217 -4.198 6.833 1.00 0.00 O ATOM 0 H SER A 60 -9.601 -3.264 4.039 1.00 0.00 H new ATOM 0 HA SER A 60 -9.768 -4.613 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.121 -4.202 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.939 -5.771 5.536 1.00 0.00 H new ATOM 0 HG SER A 60 -11.651 -3.466 7.156 1.00 0.00 H new ATOM 872 N PRO A 61 -9.423 -6.871 5.396 1.00 0.00 N ATOM 873 CA PRO A 61 -9.866 -7.088 6.776 1.00 0.00 C ATOM 874 C PRO A 61 -8.984 -6.365 7.788 1.00 0.00 C ATOM 875 O PRO A 61 -7.764 -6.301 7.631 1.00 0.00 O ATOM 876 CB PRO A 61 -9.750 -8.604 6.952 1.00 0.00 C ATOM 877 CG PRO A 61 -8.712 -9.021 5.968 1.00 0.00 C ATOM 878 CD PRO A 61 -8.855 -8.090 4.796 1.00 0.00 C ATOM 0 HA PRO A 61 -10.871 -6.701 6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.458 -8.863 7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.701 -9.099 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.714 -8.953 6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.857 -10.057 5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.895 -7.893 4.319 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.511 -8.505 4.031 1.00 0.00 H new ATOM 886 N LYS A 62 -9.607 -5.822 8.828 1.00 0.00 N ATOM 887 CA LYS A 62 -8.879 -5.104 9.868 1.00 0.00 C ATOM 888 C LYS A 62 -7.564 -5.805 10.194 1.00 0.00 C ATOM 889 O LYS A 62 -6.574 -5.159 10.533 1.00 0.00 O ATOM 890 CB LYS A 62 -9.735 -4.990 11.132 1.00 0.00 C ATOM 891 CG LYS A 62 -10.349 -6.307 11.572 1.00 0.00 C ATOM 892 CD LYS A 62 -10.567 -6.346 13.075 1.00 0.00 C ATOM 893 CE LYS A 62 -11.908 -5.740 13.460 1.00 0.00 C ATOM 894 NZ LYS A 62 -11.872 -4.252 13.436 1.00 0.00 N ATOM 0 H LYS A 62 -10.616 -5.865 8.973 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.655 -4.104 9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.121 -4.597 11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.532 -4.268 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.301 -6.454 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.698 -7.130 11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.519 -7.378 13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.764 -5.803 13.574 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.677 -6.096 12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.187 -6.080 14.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.601 -3.877 14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.936 -3.922 13.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.055 -3.916 12.469 1.00 0.00 H new ATOM 908 N GLU A 63 -7.562 -7.130 10.087 1.00 0.00 N ATOM 909 CA GLU A 63 -6.368 -7.917 10.370 1.00 0.00 C ATOM 910 C GLU A 63 -6.551 -9.364 9.920 1.00 0.00 C ATOM 911 O GLU A 63 -7.674 -9.848 9.788 1.00 0.00 O ATOM 912 CB GLU A 63 -6.043 -7.874 11.865 1.00 0.00 C ATOM 913 CG GLU A 63 -6.943 -8.760 12.709 1.00 0.00 C ATOM 914 CD GLU A 63 -6.373 -9.023 14.089 1.00 0.00 C ATOM 915 OE1 GLU A 63 -6.133 -8.045 14.828 1.00 0.00 O ATOM 916 OE2 GLU A 63 -6.167 -10.206 14.431 1.00 0.00 O ATOM 0 H GLU A 63 -8.374 -7.681 9.807 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.538 -7.483 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.007 -8.178 12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.126 -6.846 12.217 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.921 -8.289 12.808 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.096 -9.710 12.196 1.00 0.00 H new ATOM 923 N GLY A 64 -5.436 -10.050 9.686 1.00 0.00 N ATOM 924 CA GLY A 64 -5.494 -11.434 9.253 1.00 0.00 C ATOM 925 C GLY A 64 -4.121 -12.013 8.976 1.00 0.00 C ATOM 926 O GLY A 64 -3.105 -11.356 9.207 1.00 0.00 O ATOM 0 H GLY A 64 -4.494 -9.672 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.989 -12.031 10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.103 -11.504 8.352 1.00 0.00 H new ATOM 930 N ILE A 65 -4.089 -13.245 8.480 1.00 0.00 N ATOM 931 CA ILE A 65 -2.829 -13.912 8.172 1.00 0.00 C ATOM 932 C ILE A 65 -2.612 -14.007 6.666 1.00 0.00 C ATOM 933 O ILE A 65 -3.552 -14.245 5.907 1.00 0.00 O ATOM 934 CB ILE A 65 -2.779 -15.327 8.777 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.329 -15.315 10.205 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.355 -15.862 8.757 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.751 -16.680 10.702 1.00 0.00 C ATOM 0 H ILE A 65 -4.920 -13.802 8.283 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.036 -13.309 8.614 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.403 -15.986 8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.569 -14.912 10.875 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.184 -14.640 10.251 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.336 -16.863 9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.996 -15.903 7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.711 -15.204 9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.130 -16.595 11.720 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.533 -17.077 10.055 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.894 -17.353 10.689 1.00 0.00 H new ATOM 949 N ILE A 66 -1.367 -13.821 6.241 1.00 0.00 N ATOM 950 CA ILE A 66 -1.026 -13.889 4.825 1.00 0.00 C ATOM 951 C ILE A 66 -0.067 -15.041 4.545 1.00 0.00 C ATOM 952 O ILE A 66 1.122 -14.960 4.852 1.00 0.00 O ATOM 953 CB ILE A 66 -0.388 -12.575 4.336 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.229 -11.377 4.782 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.238 -12.590 2.822 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.603 -10.041 4.449 1.00 0.00 C ATOM 0 H ILE A 66 -0.578 -13.622 6.856 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.958 -14.055 4.284 1.00 0.00 H new ATOM 0 HB ILE A 66 0.604 -12.483 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.210 -11.437 4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.388 -11.436 5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.214 -11.655 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.398 -13.425 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.219 -12.701 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.254 -9.238 4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.366 -9.960 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.469 -9.961 3.370 1.00 0.00 H new ATOM 968 N GLU A 67 -0.593 -16.112 3.959 1.00 0.00 N ATOM 969 CA GLU A 67 0.217 -17.281 3.637 1.00 0.00 C ATOM 970 C GLU A 67 1.594 -16.865 3.127 1.00 0.00 C ATOM 971 O GLU A 67 1.770 -15.796 2.541 1.00 0.00 O ATOM 972 CB GLU A 67 -0.487 -18.144 2.588 1.00 0.00 C ATOM 973 CG GLU A 67 -0.636 -17.462 1.239 1.00 0.00 C ATOM 974 CD GLU A 67 -1.456 -18.279 0.259 1.00 0.00 C ATOM 975 OE1 GLU A 67 -2.631 -18.569 0.566 1.00 0.00 O ATOM 976 OE2 GLU A 67 -0.923 -18.628 -0.814 1.00 0.00 O ATOM 0 H GLU A 67 -1.576 -16.194 3.698 1.00 0.00 H new ATOM 0 HA GLU A 67 0.346 -17.863 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.072 -19.070 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.475 -18.417 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.107 -16.489 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.352 -17.280 0.817 1.00 0.00 H new ATOM 983 N PRO A 68 2.595 -17.728 3.356 1.00 0.00 N ATOM 984 CA PRO A 68 3.974 -17.472 2.929 1.00 0.00 C ATOM 985 C PRO A 68 4.133 -17.538 1.414 1.00 0.00 C ATOM 986 O PRO A 68 3.574 -18.418 0.759 1.00 0.00 O ATOM 987 CB PRO A 68 4.767 -18.597 3.599 1.00 0.00 C ATOM 988 CG PRO A 68 3.778 -19.693 3.795 1.00 0.00 C ATOM 989 CD PRO A 68 2.458 -19.020 4.049 1.00 0.00 C ATOM 0 HA PRO A 68 4.308 -16.472 3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.599 -18.922 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.190 -18.271 4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.726 -20.334 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.060 -20.328 4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.627 -19.603 3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.273 -18.887 5.115 1.00 0.00 H new ATOM 997 N SER A 69 4.899 -16.602 0.862 1.00 0.00 N ATOM 998 CA SER A 69 5.128 -16.552 -0.577 1.00 0.00 C ATOM 999 C SER A 69 3.809 -16.439 -1.334 1.00 0.00 C ATOM 1000 O SER A 69 3.622 -17.067 -2.375 1.00 0.00 O ATOM 1001 CB SER A 69 5.888 -17.798 -1.037 1.00 0.00 C ATOM 1002 OG SER A 69 7.289 -17.609 -0.932 1.00 0.00 O ATOM 0 H SER A 69 5.371 -15.868 1.390 1.00 0.00 H new ATOM 0 HA SER A 69 5.728 -15.668 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.587 -18.655 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.625 -18.027 -2.070 1.00 0.00 H new ATOM 0 HG SER A 69 7.752 -18.420 -1.230 1.00 0.00 H new ATOM 1008 N GLY A 70 2.895 -15.633 -0.802 1.00 0.00 N ATOM 1009 CA GLY A 70 1.604 -15.451 -1.439 1.00 0.00 C ATOM 1010 C GLY A 70 1.170 -13.999 -1.467 1.00 0.00 C ATOM 1011 O GLY A 70 2.002 -13.094 -1.408 1.00 0.00 O ATOM 0 H GLY A 70 3.026 -15.103 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.649 -15.833 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.855 -16.041 -0.910 1.00 0.00 H new ATOM 1015 N VAL A 71 -0.137 -13.775 -1.560 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.680 -12.423 -1.597 1.00 0.00 C ATOM 1017 C VAL A 71 -2.002 -12.341 -0.843 1.00 0.00 C ATOM 1018 O VAL A 71 -2.671 -13.352 -0.633 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.896 -11.944 -3.045 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.438 -11.743 -3.746 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.765 -12.932 -3.808 1.00 0.00 C ATOM 0 H VAL A 71 -0.839 -14.513 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 71 0.051 -11.775 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.413 -10.985 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.265 -11.405 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.022 -10.995 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.985 -12.685 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.908 -12.578 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.277 -13.907 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.734 -13.020 -3.316 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.373 -11.130 -0.438 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.616 -10.917 0.293 1.00 0.00 C ATOM 1033 C GLN A 72 -4.344 -9.679 -0.221 1.00 0.00 C ATOM 1034 O GLN A 72 -3.811 -8.571 -0.178 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.334 -10.772 1.790 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.489 -10.169 2.571 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.665 -11.117 2.700 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.493 -12.335 2.756 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.871 -10.562 2.747 1.00 0.00 N ATOM 0 H GLN A 72 -1.830 -10.282 -0.604 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.255 -11.785 0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.100 -11.753 2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.450 -10.149 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.143 -9.889 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.817 -9.254 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.968 -9.548 2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.700 -11.150 2.833 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.565 -9.877 -0.707 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.367 -8.777 -1.228 1.00 0.00 C ATOM 1050 C ALA A 73 -6.938 -7.930 -0.096 1.00 0.00 C ATOM 1051 O ALA A 73 -7.483 -8.459 0.874 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.488 -9.311 -2.108 1.00 0.00 C ATOM 0 H ALA A 73 -6.020 -10.789 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.719 -8.141 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.079 -8.478 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.062 -9.867 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.128 -9.971 -1.522 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.810 -6.614 -0.225 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.315 -5.694 0.788 1.00 0.00 C ATOM 1060 C ILE A 74 -8.451 -4.840 0.238 1.00 0.00 C ATOM 1061 O ILE A 74 -8.299 -4.172 -0.785 1.00 0.00 O ATOM 1062 CB ILE A 74 -6.201 -4.770 1.314 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -5.024 -5.599 1.835 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.740 -3.860 2.408 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.178 -6.026 3.278 1.00 0.00 C ATOM 0 H ILE A 74 -6.361 -6.160 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.688 -6.304 1.610 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.847 -4.148 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.911 -6.486 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.107 -5.018 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.941 -3.213 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.549 -3.249 2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.117 -4.466 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.308 -6.609 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.261 -5.143 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.077 -6.634 3.384 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.589 -4.864 0.924 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.751 -4.090 0.504 1.00 0.00 C ATOM 1079 C GLN A 75 -10.685 -2.668 1.053 1.00 0.00 C ATOM 1080 O GLN A 75 -10.762 -2.456 2.263 1.00 0.00 O ATOM 1081 CB GLN A 75 -12.039 -4.770 0.971 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.323 -6.086 0.264 1.00 0.00 C ATOM 1083 CD GLN A 75 -12.781 -5.891 -1.169 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -13.673 -5.088 -1.444 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -12.171 -6.627 -2.090 1.00 0.00 N ATOM 0 H GLN A 75 -9.731 -5.411 1.773 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.749 -4.040 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.977 -4.950 2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.877 -4.092 0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.423 -6.701 0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.088 -6.633 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.437 -7.280 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.437 -6.539 -3.071 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.542 -1.699 0.155 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.467 -0.298 0.549 1.00 0.00 C ATOM 1096 C ILE A 76 -11.631 0.499 -0.029 1.00 0.00 C ATOM 1097 O ILE A 76 -11.734 0.674 -1.243 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.143 0.344 0.095 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.953 -0.420 0.677 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.094 1.807 0.510 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.687 -0.280 -0.138 1.00 0.00 C ATOM 0 H ILE A 76 -10.476 -1.859 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.519 -0.273 1.637 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.086 0.292 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.764 -0.065 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.212 -1.476 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.152 2.247 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.924 2.343 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.170 1.880 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.886 -0.848 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.858 -0.662 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.404 0.771 -0.192 1.00 0.00 H new ATOM 1113 N SER A 77 -12.505 0.981 0.849 1.00 0.00 N ATOM 1114 CA SER A 77 -13.664 1.759 0.426 1.00 0.00 C ATOM 1115 C SER A 77 -13.549 3.205 0.898 1.00 0.00 C ATOM 1116 O SER A 77 -13.586 3.485 2.096 1.00 0.00 O ATOM 1117 CB SER A 77 -14.950 1.134 0.970 1.00 0.00 C ATOM 1118 OG SER A 77 -15.290 -0.040 0.252 1.00 0.00 O ATOM 0 H SER A 77 -12.433 0.847 1.858 1.00 0.00 H new ATOM 0 HA SER A 77 -13.698 1.752 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.823 0.894 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.765 1.854 0.902 1.00 0.00 H new ATOM 0 HG SER A 77 -16.114 -0.421 0.620 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.409 4.122 -0.054 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.287 5.540 0.262 1.00 0.00 C ATOM 1126 C PHE A 78 -14.581 6.282 -0.060 1.00 0.00 C ATOM 1127 O PHE A 78 -15.258 5.974 -1.040 1.00 0.00 O ATOM 1128 CB PHE A 78 -12.124 6.160 -0.515 1.00 0.00 C ATOM 1129 CG PHE A 78 -12.036 7.653 -0.374 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -12.093 8.248 0.876 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.895 8.460 -1.491 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -12.012 9.621 1.010 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.813 9.834 -1.363 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.873 10.415 -0.111 1.00 0.00 C ATOM 0 H PHE A 78 -13.377 3.908 -1.051 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.091 5.633 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.190 5.715 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.228 5.908 -1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.202 7.631 1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.849 8.011 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.057 10.072 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.702 10.453 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.811 11.488 -0.009 1.00 0.00 H new ATOM 1144 N SER A 79 -14.917 7.262 0.773 1.00 0.00 N ATOM 1145 CA SER A 79 -16.132 8.046 0.580 1.00 0.00 C ATOM 1146 C SER A 79 -16.184 9.216 1.558 1.00 0.00 C ATOM 1147 O SER A 79 -16.405 9.030 2.754 1.00 0.00 O ATOM 1148 CB SER A 79 -17.368 7.162 0.759 1.00 0.00 C ATOM 1149 OG SER A 79 -17.549 6.806 2.118 1.00 0.00 O ATOM 0 H SER A 79 -14.366 7.532 1.587 1.00 0.00 H new ATOM 0 HA SER A 79 -16.122 8.443 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.251 7.689 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.265 6.261 0.155 1.00 0.00 H new ATOM 0 HG SER A 79 -17.087 7.454 2.690 1.00 0.00 H new ATOM 1155 N SER A 80 -15.978 10.422 1.039 1.00 0.00 N ATOM 1156 CA SER A 80 -15.997 11.623 1.865 1.00 0.00 C ATOM 1157 C SER A 80 -16.834 12.719 1.212 1.00 0.00 C ATOM 1158 O SER A 80 -17.422 12.515 0.149 1.00 0.00 O ATOM 1159 CB SER A 80 -14.573 12.127 2.103 1.00 0.00 C ATOM 1160 OG SER A 80 -14.564 13.230 2.992 1.00 0.00 O ATOM 0 H SER A 80 -15.796 10.593 0.050 1.00 0.00 H new ATOM 0 HA SER A 80 -16.449 11.367 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.963 11.322 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.123 12.418 1.154 1.00 0.00 H new ATOM 0 HG SER A 80 -14.542 12.905 3.916 1.00 0.00 H new ATOM 1166 N ILE A 81 -16.883 13.880 1.855 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.646 15.009 1.336 1.00 0.00 C ATOM 1168 C ILE A 81 -16.787 16.266 1.263 1.00 0.00 C ATOM 1169 O ILE A 81 -17.230 17.305 0.771 1.00 0.00 O ATOM 1170 CB ILE A 81 -18.885 15.297 2.205 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -18.481 15.454 3.672 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -19.912 14.186 2.049 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -19.492 16.216 4.500 1.00 0.00 C ATOM 0 H ILE A 81 -16.404 14.064 2.736 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.971 14.736 0.332 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.336 16.231 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.337 14.466 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.521 15.968 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.781 14.404 2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.219 14.118 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.473 13.238 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.139 16.288 5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -19.619 17.217 4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.448 15.692 4.480 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.556 16.165 1.752 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.634 17.293 1.739 1.00 0.00 C ATOM 1187 C ILE A 82 -13.931 17.413 0.391 1.00 0.00 C ATOM 1188 O ILE A 82 -13.191 16.516 -0.017 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.573 17.167 2.849 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.238 17.207 4.227 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.538 18.274 2.721 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.690 15.851 4.720 1.00 0.00 C ATOM 0 H ILE A 82 -15.174 15.313 2.162 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.229 18.189 1.917 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.065 16.209 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.538 17.631 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.098 17.875 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.795 18.171 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.047 18.202 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.029 19.243 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -15.152 15.956 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -15.414 15.433 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.830 15.185 4.793 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.165 18.526 -0.295 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.553 18.765 -1.597 1.00 0.00 C ATOM 1206 C LEU A 83 -12.125 19.278 -1.442 1.00 0.00 C ATOM 1207 O LEU A 83 -11.705 19.654 -0.348 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.384 19.770 -2.397 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.853 19.405 -2.612 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.660 20.638 -2.988 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -15.985 18.332 -3.684 1.00 0.00 C ATOM 0 H LEU A 83 -14.774 19.277 0.029 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.523 17.818 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.340 20.733 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.917 19.903 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.249 19.008 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.703 20.359 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.592 21.375 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.264 21.065 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.037 18.085 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.572 18.702 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.441 17.440 -3.375 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.383 19.293 -2.545 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.011 19.764 -2.510 1.00 0.00 C ATOM 1225 C GLY A 84 -9.012 18.631 -2.385 1.00 0.00 C ATOM 1226 O GLY A 84 -9.374 17.513 -2.022 1.00 0.00 O ATOM 0 H GLY A 84 -11.708 18.987 -3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.801 20.331 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.886 20.448 -1.671 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.750 18.920 -2.687 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.696 17.916 -2.609 1.00 0.00 C ATOM 1232 C ASN A 85 -6.524 17.419 -1.176 1.00 0.00 C ATOM 1233 O ASN A 85 -6.580 18.200 -0.226 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.375 18.492 -3.123 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.552 19.301 -4.393 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -5.852 20.494 -4.345 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -5.368 18.653 -5.537 1.00 0.00 N ATOM 0 H ASN A 85 -7.433 19.842 -2.988 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.985 17.072 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.933 19.123 -2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.675 17.678 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.474 19.145 -6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.120 17.664 -5.529 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.313 16.115 -1.030 1.00 0.00 N ATOM 1245 CA PHE A 86 -6.133 15.513 0.286 1.00 0.00 C ATOM 1246 C PHE A 86 -5.027 14.462 0.257 1.00 0.00 C ATOM 1247 O PHE A 86 -4.991 13.610 -0.630 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.441 14.880 0.764 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.814 13.634 0.013 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.166 12.436 0.268 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.812 13.661 -0.947 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.507 11.288 -0.423 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.157 12.516 -1.641 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.504 11.328 -1.378 1.00 0.00 C ATOM 0 H PHE A 86 -6.262 15.455 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.843 16.301 0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.354 14.643 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.245 15.609 0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.386 12.399 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.327 14.587 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.994 10.360 -0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.936 12.551 -2.388 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.772 10.432 -1.918 1.00 0.00 H new ATOM 1264 N GLU A 87 -4.127 14.531 1.233 1.00 0.00 N ATOM 1265 CA GLU A 87 -3.020 13.586 1.318 1.00 0.00 C ATOM 1266 C GLU A 87 -3.045 12.836 2.647 1.00 0.00 C ATOM 1267 O GLU A 87 -2.705 13.392 3.691 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.685 14.316 1.157 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.491 13.383 1.042 1.00 0.00 C ATOM 1270 CD GLU A 87 0.791 14.010 1.553 1.00 0.00 C ATOM 1271 OE1 GLU A 87 0.718 14.831 2.492 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.868 13.680 1.014 1.00 0.00 O ATOM 0 H GLU A 87 -4.143 15.231 1.975 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.131 12.862 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.730 14.946 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.537 14.978 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.693 12.470 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.359 13.094 -0.001 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.450 11.571 2.598 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.521 10.746 3.798 1.00 0.00 C ATOM 1281 C GLU A 88 -2.871 9.386 3.562 1.00 0.00 C ATOM 1282 O GLU A 88 -3.097 8.749 2.534 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.977 10.559 4.230 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.603 11.813 4.818 1.00 0.00 C ATOM 1285 CD GLU A 88 -4.825 12.353 6.002 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -4.397 11.542 6.850 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -4.645 13.586 6.082 1.00 0.00 O ATOM 0 H GLU A 88 -3.734 11.096 1.741 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.977 11.257 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.564 10.239 3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.029 9.757 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.663 12.581 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.624 11.593 5.129 1.00 0.00 H new ATOM 1294 N GLU A 89 -2.061 8.949 4.522 1.00 0.00 N ATOM 1295 CA GLU A 89 -1.377 7.665 4.418 1.00 0.00 C ATOM 1296 C GLU A 89 -1.814 6.723 5.536 1.00 0.00 C ATOM 1297 O GLU A 89 -2.309 7.162 6.574 1.00 0.00 O ATOM 1298 CB GLU A 89 0.139 7.865 4.467 1.00 0.00 C ATOM 1299 CG GLU A 89 0.682 8.058 5.873 1.00 0.00 C ATOM 1300 CD GLU A 89 -0.154 9.020 6.695 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -0.305 10.185 6.270 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -0.657 8.609 7.761 1.00 0.00 O ATOM 0 H GLU A 89 -1.863 9.465 5.379 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.646 7.215 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.626 7.001 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.402 8.733 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.721 7.093 6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.705 8.430 5.815 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.627 5.426 5.316 1.00 0.00 N ATOM 1310 CA PHE A 90 -2.003 4.421 6.303 1.00 0.00 C ATOM 1311 C PHE A 90 -0.822 3.513 6.631 1.00 0.00 C ATOM 1312 O PHE A 90 0.081 3.329 5.814 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.177 3.585 5.790 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.341 4.410 5.319 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.222 5.229 4.207 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.553 4.368 5.989 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.290 5.989 3.772 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.625 5.126 5.557 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.493 5.938 4.448 1.00 0.00 C ATOM 0 H PHE A 90 -1.217 5.046 4.463 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.305 4.938 7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.833 2.955 4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.512 2.918 6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.283 5.273 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.661 3.736 6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.184 6.623 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.565 5.083 6.087 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.329 6.532 4.110 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.835 2.946 7.833 1.00 0.00 N ATOM 1330 CA LEU A 91 0.235 2.057 8.271 1.00 0.00 C ATOM 1331 C LEU A 91 -0.313 0.677 8.619 1.00 0.00 C ATOM 1332 O LEU A 91 -1.469 0.539 9.019 1.00 0.00 O ATOM 1333 CB LEU A 91 0.957 2.652 9.481 1.00 0.00 C ATOM 1334 CG LEU A 91 1.753 3.932 9.225 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.507 4.351 10.477 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.713 3.740 8.061 1.00 0.00 C ATOM 0 H LEU A 91 -1.575 3.086 8.521 1.00 0.00 H new ATOM 0 HA LEU A 91 0.944 1.950 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.218 2.856 10.256 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.637 1.899 9.880 1.00 0.00 H new ATOM 0 HG LEU A 91 1.053 4.726 8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.068 5.264 10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.798 4.531 11.285 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.196 3.559 10.769 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.271 4.661 7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.408 2.932 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.150 3.489 7.162 1.00 0.00 H new ATOM 1348 N VAL A 92 0.526 -0.343 8.467 1.00 0.00 N ATOM 1349 CA VAL A 92 0.127 -1.713 8.768 1.00 0.00 C ATOM 1350 C VAL A 92 1.017 -2.319 9.848 1.00 0.00 C ATOM 1351 O VAL A 92 2.232 -2.412 9.685 1.00 0.00 O ATOM 1352 CB VAL A 92 0.183 -2.603 7.513 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.119 -4.050 7.871 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.784 -2.094 6.455 1.00 0.00 C ATOM 0 H VAL A 92 1.486 -0.246 8.137 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.901 -1.672 9.128 1.00 0.00 H new ATOM 0 HB VAL A 92 1.191 -2.558 7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.075 -4.664 6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.617 -4.408 8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.116 -4.116 8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.731 -2.735 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.799 -2.107 6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.516 -1.074 6.178 1.00 0.00 H new ATOM 1364 N ASN A 93 0.401 -2.731 10.952 1.00 0.00 N ATOM 1365 CA ASN A 93 1.137 -3.329 12.060 1.00 0.00 C ATOM 1366 C ASN A 93 1.341 -4.824 11.834 1.00 0.00 C ATOM 1367 O ASN A 93 0.426 -5.528 11.406 1.00 0.00 O ATOM 1368 CB ASN A 93 0.394 -3.097 13.377 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.142 -1.684 13.498 1.00 0.00 C ATOM 1370 OD1 ASN A 93 0.623 -0.725 13.603 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.463 -1.549 13.484 1.00 0.00 N ATOM 0 H ASN A 93 -0.605 -2.662 11.103 1.00 0.00 H new ATOM 0 HA ASN A 93 2.115 -2.851 12.114 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.432 -3.804 13.454 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.066 -3.300 14.211 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.882 -0.622 13.562 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.059 -2.372 13.395 1.00 0.00 H new ATOM 1378 N VAL A 94 2.546 -5.302 12.124 1.00 0.00 N ATOM 1379 CA VAL A 94 2.870 -6.714 11.955 1.00 0.00 C ATOM 1380 C VAL A 94 3.411 -7.312 13.248 1.00 0.00 C ATOM 1381 O VAL A 94 4.134 -6.653 13.995 1.00 0.00 O ATOM 1382 CB VAL A 94 3.905 -6.921 10.833 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.473 -8.331 10.885 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.283 -6.637 9.475 1.00 0.00 C ATOM 0 H VAL A 94 3.315 -4.732 12.477 1.00 0.00 H new ATOM 0 HA VAL A 94 1.944 -7.222 11.684 1.00 0.00 H new ATOM 0 HB VAL A 94 4.725 -6.219 10.984 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.202 -8.459 10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.958 -8.493 11.848 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.666 -9.053 10.759 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.029 -6.788 8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.444 -7.313 9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.930 -5.606 9.445 1.00 0.00 H new ATOM 1394 N ASN A 95 3.057 -8.567 13.507 1.00 0.00 N ATOM 1395 CA ASN A 95 3.508 -9.256 14.711 1.00 0.00 C ATOM 1396 C ASN A 95 5.031 -9.301 14.774 1.00 0.00 C ATOM 1397 O ASN A 95 5.672 -10.048 14.036 1.00 0.00 O ATOM 1398 CB ASN A 95 2.942 -10.677 14.752 1.00 0.00 C ATOM 1399 CG ASN A 95 3.786 -11.611 15.598 1.00 0.00 C ATOM 1400 OD1 ASN A 95 3.650 -11.651 16.821 1.00 0.00 O ATOM 1401 ND2 ASN A 95 4.664 -12.367 14.949 1.00 0.00 N ATOM 0 H ASN A 95 2.459 -9.127 12.899 1.00 0.00 H new ATOM 0 HA ASN A 95 3.143 -8.701 15.576 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.927 -10.650 15.148 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.877 -11.069 13.737 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.260 -13.014 15.465 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.742 -12.301 13.934 1.00 0.00 H new ATOM 1408 N GLY A 96 5.605 -8.495 15.663 1.00 0.00 N ATOM 1409 CA GLY A 96 7.049 -8.458 15.807 1.00 0.00 C ATOM 1410 C GLY A 96 7.732 -7.789 14.631 1.00 0.00 C ATOM 1411 O GLY A 96 8.609 -8.376 13.997 1.00 0.00 O ATOM 0 H GLY A 96 5.096 -7.868 16.286 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.306 -7.926 16.723 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.427 -9.475 15.912 1.00 0.00 H new ATOM 1415 N SER A 97 7.329 -6.557 14.337 1.00 0.00 N ATOM 1416 CA SER A 97 7.905 -5.809 13.225 1.00 0.00 C ATOM 1417 C SER A 97 8.423 -4.453 13.693 1.00 0.00 C ATOM 1418 O SER A 97 7.845 -3.807 14.568 1.00 0.00 O ATOM 1419 CB SER A 97 6.865 -5.617 12.120 1.00 0.00 C ATOM 1420 OG SER A 97 7.230 -4.555 11.255 1.00 0.00 O ATOM 0 H SER A 97 6.606 -6.056 14.853 1.00 0.00 H new ATOM 0 HA SER A 97 8.744 -6.382 12.829 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.764 -6.539 11.547 1.00 0.00 H new ATOM 0 HB3 SER A 97 5.891 -5.410 12.564 1.00 0.00 H new ATOM 0 HG SER A 97 6.550 -4.454 10.557 1.00 0.00 H new ATOM 1426 N PRO A 98 9.539 -4.009 13.097 1.00 0.00 N ATOM 1427 CA PRO A 98 10.160 -2.725 13.435 1.00 0.00 C ATOM 1428 C PRO A 98 9.323 -1.536 12.974 1.00 0.00 C ATOM 1429 O PRO A 98 9.079 -0.604 13.739 1.00 0.00 O ATOM 1430 CB PRO A 98 11.492 -2.766 12.682 1.00 0.00 C ATOM 1431 CG PRO A 98 11.255 -3.696 11.543 1.00 0.00 C ATOM 1432 CD PRO A 98 10.280 -4.725 12.046 1.00 0.00 C ATOM 0 HA PRO A 98 10.267 -2.595 14.512 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.779 -1.775 12.331 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.298 -3.123 13.323 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.851 -3.164 10.682 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.185 -4.164 11.221 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.618 -5.072 11.253 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.791 -5.603 12.442 1.00 0.00 H new ATOM 1440 N GLU A 99 8.888 -1.577 11.718 1.00 0.00 N ATOM 1441 CA GLU A 99 8.078 -0.502 11.156 1.00 0.00 C ATOM 1442 C GLU A 99 6.958 -1.063 10.285 1.00 0.00 C ATOM 1443 O GLU A 99 7.147 -2.008 9.518 1.00 0.00 O ATOM 1444 CB GLU A 99 8.952 0.447 10.333 1.00 0.00 C ATOM 1445 CG GLU A 99 8.159 1.479 9.549 1.00 0.00 C ATOM 1446 CD GLU A 99 7.940 2.761 10.328 1.00 0.00 C ATOM 1447 OE1 GLU A 99 8.740 3.042 11.245 1.00 0.00 O ATOM 1448 OE2 GLU A 99 6.969 3.485 10.021 1.00 0.00 O ATOM 0 H GLU A 99 9.083 -2.342 11.072 1.00 0.00 H new ATOM 0 HA GLU A 99 7.630 0.051 11.982 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.643 0.962 11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.556 -0.138 9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.684 1.707 8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.193 1.056 9.273 1.00 0.00 H new ATOM 1455 N PRO A 100 5.761 -0.469 10.406 1.00 0.00 N ATOM 1456 CA PRO A 100 4.587 -0.892 9.638 1.00 0.00 C ATOM 1457 C PRO A 100 4.712 -0.559 8.155 1.00 0.00 C ATOM 1458 O PRO A 100 5.418 0.376 7.776 1.00 0.00 O ATOM 1459 CB PRO A 100 3.443 -0.094 10.270 1.00 0.00 C ATOM 1460 CG PRO A 100 4.099 1.110 10.854 1.00 0.00 C ATOM 1461 CD PRO A 100 5.464 0.662 11.300 1.00 0.00 C ATOM 0 HA PRO A 100 4.444 -1.972 9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.696 0.184 9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.930 -0.676 11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.172 1.910 10.118 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.523 1.500 11.693 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.201 1.458 11.199 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.465 0.358 12.347 1.00 0.00 H new ATOM 1469 N VAL A 101 4.022 -1.329 7.320 1.00 0.00 N ATOM 1470 CA VAL A 101 4.056 -1.114 5.878 1.00 0.00 C ATOM 1471 C VAL A 101 3.382 0.201 5.503 1.00 0.00 C ATOM 1472 O VAL A 101 2.160 0.270 5.369 1.00 0.00 O ATOM 1473 CB VAL A 101 3.365 -2.266 5.123 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.298 -1.964 3.634 1.00 0.00 C ATOM 1475 CG2 VAL A 101 4.090 -3.579 5.377 1.00 0.00 C ATOM 0 H VAL A 101 3.433 -2.107 7.617 1.00 0.00 H new ATOM 0 HA VAL A 101 5.106 -1.077 5.587 1.00 0.00 H new ATOM 0 HB VAL A 101 2.345 -2.362 5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.807 -2.789 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.732 -1.047 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.308 -1.840 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.589 -4.382 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.121 -3.498 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.080 -3.799 6.444 1.00 0.00 H new ATOM 1485 N LYS A 102 4.187 1.244 5.333 1.00 0.00 N ATOM 1486 CA LYS A 102 3.671 2.559 4.971 1.00 0.00 C ATOM 1487 C LYS A 102 2.957 2.510 3.624 1.00 0.00 C ATOM 1488 O LYS A 102 3.451 1.909 2.669 1.00 0.00 O ATOM 1489 CB LYS A 102 4.810 3.580 4.920 1.00 0.00 C ATOM 1490 CG LYS A 102 4.344 4.995 4.625 1.00 0.00 C ATOM 1491 CD LYS A 102 5.294 6.028 5.209 1.00 0.00 C ATOM 1492 CE LYS A 102 4.745 7.438 5.058 1.00 0.00 C ATOM 1493 NZ LYS A 102 4.976 7.980 3.690 1.00 0.00 N ATOM 0 H LYS A 102 5.201 1.204 5.440 1.00 0.00 H new ATOM 0 HA LYS A 102 2.953 2.863 5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.338 3.571 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.526 3.275 4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.269 5.137 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.346 5.144 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.463 5.813 6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.261 5.958 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.676 7.436 5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.216 8.092 5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.094 9.012 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.834 7.552 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.161 7.755 3.085 1.00 0.00 H new ATOM 1507 N LEU A 103 1.794 3.148 3.553 1.00 0.00 N ATOM 1508 CA LEU A 103 1.012 3.179 2.322 1.00 0.00 C ATOM 1509 C LEU A 103 0.359 4.544 2.126 1.00 0.00 C ATOM 1510 O LEU A 103 -0.622 4.877 2.792 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.059 2.087 2.347 1.00 0.00 C ATOM 1512 CG LEU A 103 -1.029 2.072 1.165 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.278 1.852 -0.139 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.089 0.998 1.359 1.00 0.00 C ATOM 0 H LEU A 103 1.372 3.651 4.333 1.00 0.00 H new ATOM 0 HA LEU A 103 1.688 2.997 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.439 1.119 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.637 2.194 3.265 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.526 3.041 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.985 1.844 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.443 2.656 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.247 0.897 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.771 1.002 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.609 0.022 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.648 1.199 2.273 1.00 0.00 H new ATOM 1526 N THR A 104 0.909 5.330 1.206 1.00 0.00 N ATOM 1527 CA THR A 104 0.380 6.658 0.921 1.00 0.00 C ATOM 1528 C THR A 104 -0.648 6.611 -0.204 1.00 0.00 C ATOM 1529 O THR A 104 -0.522 5.820 -1.139 1.00 0.00 O ATOM 1530 CB THR A 104 1.503 7.639 0.534 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.634 7.451 1.391 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.021 9.079 0.632 1.00 0.00 C ATOM 0 H THR A 104 1.721 5.070 0.646 1.00 0.00 H new ATOM 0 HA THR A 104 -0.101 7.009 1.834 1.00 0.00 H new ATOM 0 HB THR A 104 1.791 7.438 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.344 8.077 1.138 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.831 9.753 0.354 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.178 9.227 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.709 9.289 1.655 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.663 7.462 -0.107 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.712 7.518 -1.119 1.00 0.00 C ATOM 1542 C ILE A 105 -3.194 8.949 -1.332 1.00 0.00 C ATOM 1543 O ILE A 105 -3.918 9.500 -0.503 1.00 0.00 O ATOM 1544 CB ILE A 105 -3.913 6.635 -0.733 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.448 5.212 -0.418 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -4.944 6.625 -1.852 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.545 4.324 0.125 1.00 0.00 C ATOM 0 H ILE A 105 -1.782 8.122 0.661 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.278 7.142 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.378 7.051 0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.043 4.762 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.635 5.256 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.787 5.997 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.294 7.641 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.490 6.230 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.143 3.331 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.935 4.751 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.349 4.249 -0.608 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.789 9.543 -2.450 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.181 10.910 -2.773 1.00 0.00 C ATOM 1561 C ARG A 106 -4.262 10.925 -3.849 1.00 0.00 C ATOM 1562 O ARG A 106 -4.417 9.965 -4.602 1.00 0.00 O ATOM 1563 CB ARG A 106 -1.967 11.713 -3.243 1.00 0.00 C ATOM 1564 CG ARG A 106 -1.442 11.284 -4.603 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.123 11.966 -4.932 1.00 0.00 C ATOM 1566 NE ARG A 106 0.908 11.672 -3.941 1.00 0.00 N ATOM 1567 CZ ARG A 106 2.147 12.147 -4.006 1.00 0.00 C ATOM 1568 NH1 ARG A 106 2.506 12.936 -5.009 1.00 0.00 N ATOM 1569 NH2 ARG A 106 3.029 11.834 -3.065 1.00 0.00 N ATOM 0 H ARG A 106 -2.190 9.100 -3.147 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.585 11.369 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.234 12.769 -3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.169 11.613 -2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.307 10.202 -4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.178 11.524 -5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.217 11.642 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.276 13.044 -4.987 1.00 0.00 H new ATOM 0 HE ARG A 106 0.664 11.069 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.830 13.180 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.458 13.299 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.756 11.228 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.980 12.199 -3.116 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.009 12.024 -3.915 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.067 12.144 -4.902 1.00 0.00 C ATOM 1585 C GLY A 107 -6.648 13.542 -4.961 1.00 0.00 C ATOM 1586 O GLY A 107 -5.934 14.527 -4.772 1.00 0.00 O ATOM 0 H GLY A 107 -4.900 12.833 -3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.677 11.874 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.860 11.434 -4.668 1.00 0.00 H new ATOM 1590 N CYS A 108 -7.947 13.630 -5.226 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.624 14.919 -5.312 1.00 0.00 C ATOM 1592 C CYS A 108 -10.134 14.734 -5.422 1.00 0.00 C ATOM 1593 O CYS A 108 -10.627 14.108 -6.360 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.106 15.711 -6.514 1.00 0.00 C ATOM 1595 SG CYS A 108 -8.205 17.505 -6.315 1.00 0.00 S ATOM 0 H CYS A 108 -8.552 12.824 -5.385 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.410 15.476 -4.400 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -7.068 15.434 -6.698 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.675 15.422 -7.398 1.00 0.00 H new ATOM 0 HG CYS A 108 -7.742 18.086 -7.382 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.864 15.281 -4.455 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.318 15.176 -4.442 1.00 0.00 C ATOM 1603 C VAL A 109 -12.962 16.388 -5.106 1.00 0.00 C ATOM 1604 O VAL A 109 -12.557 17.526 -4.871 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.858 15.044 -3.006 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.368 14.864 -3.018 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.181 13.888 -2.286 1.00 0.00 C ATOM 0 H VAL A 109 -10.472 15.801 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.576 14.278 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.630 15.962 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.732 14.772 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.834 15.728 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.623 13.963 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.575 13.810 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.376 12.960 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.106 14.064 -2.245 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.968 16.135 -5.937 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.670 17.205 -6.634 1.00 0.00 C ATOM 1619 C ILE A 110 -16.176 16.966 -6.633 1.00 0.00 C ATOM 1620 O ILE A 110 -16.646 15.901 -6.238 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.184 17.342 -8.089 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.297 16.000 -8.816 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.751 17.851 -8.124 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -14.310 16.129 -10.323 1.00 0.00 C ATOM 0 H ILE A 110 -14.315 15.198 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.451 18.128 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.818 18.066 -8.601 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.462 15.365 -8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -15.209 15.497 -8.494 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.422 17.942 -9.159 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.699 18.826 -7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.103 17.150 -7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.392 15.139 -10.772 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -15.161 16.738 -10.629 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.387 16.603 -10.656 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.929 17.967 -7.081 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.374 17.846 -7.125 1.00 0.00 C ATOM 1638 C GLY A 111 -18.979 18.557 -8.319 1.00 0.00 C ATOM 1639 O GLY A 111 -18.354 19.418 -8.938 1.00 0.00 O ATOM 0 H GLY A 111 -16.563 18.859 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.646 16.791 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.798 18.256 -6.208 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.225 18.194 -8.660 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.941 18.790 -9.792 1.00 0.00 C ATOM 1645 C PRO A 112 -21.330 20.241 -9.532 1.00 0.00 C ATOM 1646 O PRO A 112 -20.656 21.166 -9.985 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.191 17.916 -9.920 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.401 17.352 -8.557 1.00 0.00 C ATOM 1649 CD PRO A 112 -21.029 17.174 -7.967 1.00 0.00 C ATOM 0 HA PRO A 112 -20.329 18.817 -10.693 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.052 18.501 -10.243 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.048 17.126 -10.657 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -23.005 18.023 -7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -22.931 16.401 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -21.032 17.330 -6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.643 16.170 -8.143 1.00 0.00 H new TER 1657 PRO A 112