USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=24 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 56 CYS SG : rot 55:sc= 0.214 USER MOD Set 1.2: A 80 SER OG : rot 105:sc= 0.659 USER MOD Set 2.1: A 45 ASN : amide:sc= -3.33! C(o=-7.8!,f=-4.9!) USER MOD Set 2.2: A 47 THR OG1 : rot -168:sc= -0.88 USER MOD Set 2.3: A 93 ASN : amide:sc= -3.62! K(o=-7.8!,f=0.61) USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.909 X(o=-1.3,f=-0.87) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= -0.374 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00156 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= -1.94! C(o=-1.9!,f=-3.9!) USER MOD Single : A 13 ASN : amide:sc= -4.16 K(o=-4.2,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 26 SER OG : rot 170: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= -0.8! K(o=-0.8!,f=-2) 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 -158:sc= -0.807 (180deg=-2.78!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -123:sc= 0.79 USER MOD Single : A 60 SER OG : rot 28:sc= 0.154 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.0965 K(o=0.097,f=-0.48) USER MOD Single : A 75 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.69) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 35:sc= 0.648 USER MOD Single : A 85 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.2) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 97 SER OG : rot -109:sc= -0.958 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.863 -8.562 -1.017 1.00 0.00 N ATOM 2 CA GLY A 1 22.846 -7.909 0.279 1.00 0.00 C ATOM 3 C GLY A 1 22.465 -6.445 0.186 1.00 0.00 C ATOM 4 O GLY A 1 23.295 -5.601 -0.151 1.00 0.00 O ATOM 0 H1 GLY A 1 23.129 -9.560 -0.899 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.918 -8.504 -1.447 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.554 -8.090 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.142 -8.424 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.830 -7.997 0.739 1.00 0.00 H new ATOM 8 N SER A 2 21.205 -6.142 0.483 1.00 0.00 N ATOM 9 CA SER A 2 20.714 -4.771 0.425 1.00 0.00 C ATOM 10 C SER A 2 21.001 -4.036 1.731 1.00 0.00 C ATOM 11 O SER A 2 20.852 -4.596 2.817 1.00 0.00 O ATOM 12 CB SER A 2 19.212 -4.756 0.138 1.00 0.00 C ATOM 13 OG SER A 2 18.719 -3.429 0.069 1.00 0.00 O ATOM 0 H SER A 2 20.506 -6.828 0.766 1.00 0.00 H new ATOM 0 HA SER A 2 21.236 -4.258 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.013 -5.270 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.684 -5.303 0.919 1.00 0.00 H new ATOM 0 HG SER A 2 17.757 -3.447 -0.117 1.00 0.00 H new ATOM 19 N SER A 3 21.414 -2.777 1.616 1.00 0.00 N ATOM 20 CA SER A 3 21.726 -1.966 2.787 1.00 0.00 C ATOM 21 C SER A 3 20.575 -1.019 3.114 1.00 0.00 C ATOM 22 O SER A 3 19.585 -0.953 2.386 1.00 0.00 O ATOM 23 CB SER A 3 23.008 -1.165 2.551 1.00 0.00 C ATOM 24 OG SER A 3 23.541 -0.685 3.773 1.00 0.00 O ATOM 0 H SER A 3 21.540 -2.297 0.725 1.00 0.00 H new ATOM 0 HA SER A 3 21.875 -2.636 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.746 -1.792 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.799 -0.326 1.887 1.00 0.00 H new ATOM 0 HG SER A 3 24.361 -0.178 3.596 1.00 0.00 H new ATOM 30 N GLY A 4 20.713 -0.288 4.216 1.00 0.00 N ATOM 31 CA GLY A 4 19.678 0.645 4.621 1.00 0.00 C ATOM 32 C GLY A 4 18.894 0.154 5.822 1.00 0.00 C ATOM 33 O GLY A 4 19.267 0.416 6.965 1.00 0.00 O ATOM 0 H GLY A 4 21.523 -0.325 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.132 1.608 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.995 0.810 3.788 1.00 0.00 H new ATOM 37 N SER A 5 17.801 -0.557 5.562 1.00 0.00 N ATOM 38 CA SER A 5 16.958 -1.081 6.631 1.00 0.00 C ATOM 39 C SER A 5 16.075 -2.215 6.120 1.00 0.00 C ATOM 40 O SER A 5 15.583 -2.173 4.992 1.00 0.00 O ATOM 41 CB SER A 5 16.090 0.034 7.217 1.00 0.00 C ATOM 42 OG SER A 5 15.224 -0.468 8.220 1.00 0.00 O ATOM 0 H SER A 5 17.479 -0.783 4.621 1.00 0.00 H new ATOM 0 HA SER A 5 17.607 -1.475 7.413 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.727 0.812 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.503 0.497 6.424 1.00 0.00 H new ATOM 0 HG SER A 5 14.681 0.264 8.580 1.00 0.00 H new ATOM 48 N SER A 6 15.878 -3.227 6.958 1.00 0.00 N ATOM 49 CA SER A 6 15.058 -4.375 6.591 1.00 0.00 C ATOM 50 C SER A 6 13.587 -3.981 6.487 1.00 0.00 C ATOM 51 O SER A 6 12.909 -4.319 5.518 1.00 0.00 O ATOM 52 CB SER A 6 15.225 -5.498 7.616 1.00 0.00 C ATOM 53 OG SER A 6 15.012 -5.021 8.934 1.00 0.00 O ATOM 0 H SER A 6 16.275 -3.275 7.896 1.00 0.00 H new ATOM 0 HA SER A 6 15.391 -4.731 5.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.521 -6.301 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.226 -5.921 7.536 1.00 0.00 H new ATOM 0 HG SER A 6 15.123 -5.758 9.570 1.00 0.00 H new ATOM 59 N GLY A 7 13.101 -3.263 7.496 1.00 0.00 N ATOM 60 CA GLY A 7 11.715 -2.834 7.500 1.00 0.00 C ATOM 61 C GLY A 7 10.749 -3.995 7.629 1.00 0.00 C ATOM 62 O GLY A 7 11.129 -5.109 7.988 1.00 0.00 O ATOM 0 H GLY A 7 13.642 -2.971 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.555 -2.139 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.504 -2.290 6.579 1.00 0.00 H new ATOM 66 N PRO A 8 9.467 -3.738 7.332 1.00 0.00 N ATOM 67 CA PRO A 8 8.417 -4.759 7.410 1.00 0.00 C ATOM 68 C PRO A 8 8.558 -5.820 6.325 1.00 0.00 C ATOM 69 O PRO A 8 9.114 -5.561 5.257 1.00 0.00 O ATOM 70 CB PRO A 8 7.128 -3.957 7.211 1.00 0.00 C ATOM 71 CG PRO A 8 7.546 -2.753 6.440 1.00 0.00 C ATOM 72 CD PRO A 8 8.942 -2.433 6.897 1.00 0.00 C ATOM 0 HA PRO A 8 8.452 -5.309 8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.382 -4.536 6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.682 -3.680 8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.521 -2.948 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.873 -1.917 6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.541 -2.007 6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.942 -1.708 7.711 1.00 0.00 H new ATOM 80 N LYS A 9 8.050 -7.016 6.603 1.00 0.00 N ATOM 81 CA LYS A 9 8.117 -8.117 5.650 1.00 0.00 C ATOM 82 C LYS A 9 7.153 -7.892 4.489 1.00 0.00 C ATOM 83 O LYS A 9 7.574 -7.726 3.344 1.00 0.00 O ATOM 84 CB LYS A 9 7.794 -9.441 6.346 1.00 0.00 C ATOM 85 CG LYS A 9 8.543 -9.641 7.652 1.00 0.00 C ATOM 86 CD LYS A 9 10.043 -9.725 7.428 1.00 0.00 C ATOM 87 CE LYS A 9 10.467 -11.128 7.021 1.00 0.00 C ATOM 88 NZ LYS A 9 11.814 -11.138 6.385 1.00 0.00 N ATOM 0 H LYS A 9 7.587 -7.247 7.482 1.00 0.00 H new ATOM 0 HA LYS A 9 9.131 -8.160 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.723 -9.487 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.031 -10.264 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.321 -8.816 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.195 -10.554 8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.337 -9.016 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.565 -9.436 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.475 -11.774 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.735 -11.542 6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.067 -12.112 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.800 -10.542 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.517 -10.767 7.055 1.00 0.00 H new ATOM 102 N ILE A 10 5.860 -7.885 4.793 1.00 0.00 N ATOM 103 CA ILE A 10 4.837 -7.677 3.776 1.00 0.00 C ATOM 104 C ILE A 10 5.070 -6.372 3.021 1.00 0.00 C ATOM 105 O ILE A 10 5.613 -5.414 3.571 1.00 0.00 O ATOM 106 CB ILE A 10 3.426 -7.657 4.391 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.479 -7.123 5.824 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.814 -9.049 4.361 1.00 0.00 C ATOM 109 CD1 ILE A 10 3.630 -8.208 6.868 1.00 0.00 C ATOM 0 H ILE A 10 5.496 -8.021 5.736 1.00 0.00 H new ATOM 0 HA ILE A 10 4.908 -8.514 3.081 1.00 0.00 H new ATOM 0 HB ILE A 10 2.797 -6.993 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.312 -6.426 5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.569 -6.559 6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.817 -9.017 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.746 -9.394 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.440 -9.734 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.660 -7.757 7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.784 -8.892 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.555 -8.757 6.691 1.00 0.00 H new ATOM 121 N HIS A 11 4.653 -6.342 1.759 1.00 0.00 N ATOM 122 CA HIS A 11 4.814 -5.154 0.929 1.00 0.00 C ATOM 123 C HIS A 11 3.694 -5.056 -0.102 1.00 0.00 C ATOM 124 O HIS A 11 3.304 -6.055 -0.707 1.00 0.00 O ATOM 125 CB HIS A 11 6.171 -5.177 0.225 1.00 0.00 C ATOM 126 CG HIS A 11 6.208 -6.073 -0.974 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.909 -5.639 -2.248 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.513 -7.387 -1.089 1.00 0.00 C ATOM 129 CE1 HIS A 11 6.027 -6.647 -3.094 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.393 -7.719 -2.416 1.00 0.00 N ATOM 0 H HIS A 11 4.201 -7.127 1.289 1.00 0.00 H new ATOM 0 HA HIS A 11 4.765 -4.279 1.577 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.430 -4.163 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.933 -5.500 0.934 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.639 -4.688 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.798 -8.051 -0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.854 -6.602 -4.159 1.00 0.00 H new ATOM 138 N PHE A 12 3.180 -3.846 -0.297 1.00 0.00 N ATOM 139 CA PHE A 12 2.103 -3.618 -1.254 1.00 0.00 C ATOM 140 C PHE A 12 2.629 -3.667 -2.686 1.00 0.00 C ATOM 141 O PHE A 12 3.762 -3.271 -2.956 1.00 0.00 O ATOM 142 CB PHE A 12 1.434 -2.268 -0.990 1.00 0.00 C ATOM 143 CG PHE A 12 0.508 -2.279 0.192 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.700 -2.955 0.136 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.845 -1.613 1.359 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.555 -2.968 1.222 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.006 -1.622 2.449 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.208 -2.299 2.379 1.00 0.00 C ATOM 0 H PHE A 12 3.492 -3.008 0.195 1.00 0.00 H new ATOM 0 HA PHE A 12 1.366 -4.411 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.205 -1.514 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.875 -1.969 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.977 -3.478 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.783 -1.081 1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.493 -3.501 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.269 -1.100 3.354 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.875 -2.305 3.228 1.00 0.00 H new ATOM 158 N ASN A 13 1.796 -4.155 -3.600 1.00 0.00 N ATOM 159 CA ASN A 13 2.176 -4.257 -5.004 1.00 0.00 C ATOM 160 C ASN A 13 2.804 -2.955 -5.493 1.00 0.00 C ATOM 161 O ASN A 13 3.559 -2.945 -6.465 1.00 0.00 O ATOM 162 CB ASN A 13 0.957 -4.602 -5.860 1.00 0.00 C ATOM 163 CG ASN A 13 -0.228 -3.702 -5.568 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.135 -2.775 -4.763 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.352 -3.971 -6.223 1.00 0.00 N ATOM 0 H ASN A 13 0.854 -4.486 -3.393 1.00 0.00 H new ATOM 0 HA ASN A 13 2.914 -5.054 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.222 -4.519 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.674 -5.640 -5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.182 -3.399 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.385 -4.749 -6.881 1.00 0.00 H new ATOM 172 N PHE A 14 2.485 -1.859 -4.813 1.00 0.00 N ATOM 173 CA PHE A 14 3.017 -0.551 -5.178 1.00 0.00 C ATOM 174 C PHE A 14 3.279 0.296 -3.936 1.00 0.00 C ATOM 175 O PHE A 14 2.668 0.084 -2.888 1.00 0.00 O ATOM 176 CB PHE A 14 2.045 0.176 -6.109 1.00 0.00 C ATOM 177 CG PHE A 14 0.601 -0.064 -5.775 1.00 0.00 C ATOM 178 CD1 PHE A 14 0.090 0.312 -4.542 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.246 -0.664 -6.692 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.238 0.092 -4.232 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.576 -0.887 -6.387 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.073 -0.507 -5.155 1.00 0.00 C ATOM 0 H PHE A 14 1.861 -1.850 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 14 3.963 -0.703 -5.698 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.246 1.246 -6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.230 -0.143 -7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.737 0.782 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.137 -0.961 -7.657 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.624 0.388 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.225 -1.357 -7.111 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.112 -0.678 -4.914 1.00 0.00 H new ATOM 192 N GLU A 15 4.191 1.254 -4.062 1.00 0.00 N ATOM 193 CA GLU A 15 4.534 2.132 -2.949 1.00 0.00 C ATOM 194 C GLU A 15 3.453 3.187 -2.735 1.00 0.00 C ATOM 195 O GLU A 15 3.082 3.491 -1.600 1.00 0.00 O ATOM 196 CB GLU A 15 5.882 2.811 -3.203 1.00 0.00 C ATOM 197 CG GLU A 15 6.848 1.962 -4.012 1.00 0.00 C ATOM 198 CD GLU A 15 8.298 2.245 -3.671 1.00 0.00 C ATOM 199 OE1 GLU A 15 8.668 3.435 -3.593 1.00 0.00 O ATOM 200 OE2 GLU A 15 9.064 1.276 -3.484 1.00 0.00 O ATOM 0 H GLU A 15 4.705 1.442 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 15 4.606 1.523 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.712 3.752 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.342 3.057 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.636 0.908 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.686 2.145 -5.074 1.00 0.00 H new ATOM 207 N LEU A 16 2.951 3.743 -3.832 1.00 0.00 N ATOM 208 CA LEU A 16 1.913 4.765 -3.766 1.00 0.00 C ATOM 209 C LEU A 16 0.717 4.383 -4.632 1.00 0.00 C ATOM 210 O LEU A 16 0.863 3.693 -5.642 1.00 0.00 O ATOM 211 CB LEU A 16 2.471 6.117 -4.215 1.00 0.00 C ATOM 212 CG LEU A 16 1.437 7.171 -4.614 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.970 8.570 -4.346 1.00 0.00 C ATOM 214 CD2 LEU A 16 1.055 7.015 -6.078 1.00 0.00 C ATOM 0 H LEU A 16 3.246 3.503 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 16 1.579 4.842 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.080 6.522 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.136 5.950 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 16 0.543 7.023 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.221 9.307 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.193 8.677 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.879 8.730 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.318 7.773 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.942 7.136 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.631 6.024 -6.240 1.00 0.00 H new ATOM 226 N LEU A 17 -0.466 4.838 -4.233 1.00 0.00 N ATOM 227 CA LEU A 17 -1.688 4.546 -4.974 1.00 0.00 C ATOM 228 C LEU A 17 -2.442 5.829 -5.308 1.00 0.00 C ATOM 229 O LEU A 17 -2.891 6.547 -4.415 1.00 0.00 O ATOM 230 CB LEU A 17 -2.587 3.608 -4.165 1.00 0.00 C ATOM 231 CG LEU A 17 -4.028 3.472 -4.656 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.103 2.510 -5.831 1.00 0.00 C ATOM 233 CD2 LEU A 17 -4.935 3.007 -3.525 1.00 0.00 C ATOM 0 H LEU A 17 -0.605 5.411 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.409 4.057 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.132 2.618 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.607 3.957 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.371 4.451 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.137 2.426 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.485 2.884 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.741 1.529 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.957 2.916 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.593 2.039 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.905 3.733 -2.713 1.00 0.00 H new ATOM 245 N ASP A 18 -2.578 6.109 -6.599 1.00 0.00 N ATOM 246 CA ASP A 18 -3.281 7.304 -7.052 1.00 0.00 C ATOM 247 C ASP A 18 -4.723 6.977 -7.428 1.00 0.00 C ATOM 248 O ASP A 18 -4.976 6.304 -8.427 1.00 0.00 O ATOM 249 CB ASP A 18 -2.557 7.925 -8.248 1.00 0.00 C ATOM 250 CG ASP A 18 -3.246 9.177 -8.755 1.00 0.00 C ATOM 251 OD1 ASP A 18 -4.232 9.047 -9.511 1.00 0.00 O ATOM 252 OD2 ASP A 18 -2.800 10.286 -8.395 1.00 0.00 O ATOM 0 H ASP A 18 -2.211 5.525 -7.351 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.293 8.022 -6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.533 8.167 -7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.499 7.194 -9.054 1.00 0.00 H new ATOM 257 N ILE A 19 -5.663 7.457 -6.621 1.00 0.00 N ATOM 258 CA ILE A 19 -7.079 7.215 -6.869 1.00 0.00 C ATOM 259 C ILE A 19 -7.640 8.218 -7.871 1.00 0.00 C ATOM 260 O ILE A 19 -8.743 8.044 -8.388 1.00 0.00 O ATOM 261 CB ILE A 19 -7.900 7.290 -5.568 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.784 8.684 -4.947 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.435 6.226 -4.586 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.658 8.876 -3.728 1.00 0.00 C ATOM 0 H ILE A 19 -5.470 8.016 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.160 6.209 -7.281 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.948 7.104 -5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.745 8.865 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.050 9.430 -5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.025 6.292 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.564 5.239 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.382 6.383 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.525 9.886 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.702 8.727 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.377 8.153 -2.962 1.00 0.00 H new ATOM 276 N GLY A 20 -6.872 9.270 -8.141 1.00 0.00 N ATOM 277 CA GLY A 20 -7.309 10.285 -9.081 1.00 0.00 C ATOM 278 C GLY A 20 -8.461 11.113 -8.547 1.00 0.00 C ATOM 279 O GLY A 20 -8.546 11.371 -7.346 1.00 0.00 O ATOM 0 H GLY A 20 -5.956 9.437 -7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.472 10.942 -9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.611 9.807 -10.013 1.00 0.00 H new ATOM 283 N LYS A 21 -9.350 11.533 -9.440 1.00 0.00 N ATOM 284 CA LYS A 21 -10.503 12.337 -9.053 1.00 0.00 C ATOM 285 C LYS A 21 -11.666 11.449 -8.621 1.00 0.00 C ATOM 286 O LYS A 21 -12.000 10.475 -9.296 1.00 0.00 O ATOM 287 CB LYS A 21 -10.937 13.235 -10.214 1.00 0.00 C ATOM 288 CG LYS A 21 -10.080 14.479 -10.375 1.00 0.00 C ATOM 289 CD LYS A 21 -10.635 15.404 -11.444 1.00 0.00 C ATOM 290 CE LYS A 21 -9.622 16.466 -11.843 1.00 0.00 C ATOM 291 NZ LYS A 21 -9.580 17.589 -10.866 1.00 0.00 N ATOM 0 H LYS A 21 -9.294 11.330 -10.438 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.212 12.961 -8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.904 12.659 -11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.974 13.535 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.027 15.010 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.062 14.189 -10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.917 14.821 -12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.542 15.884 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.633 16.014 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.872 16.853 -12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.878 18.291 -11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.517 18.037 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.316 17.224 -9.929 1.00 0.00 H new ATOM 305 N VAL A 22 -12.279 11.793 -7.494 1.00 0.00 N ATOM 306 CA VAL A 22 -13.407 11.028 -6.973 1.00 0.00 C ATOM 307 C VAL A 22 -14.608 11.929 -6.713 1.00 0.00 C ATOM 308 O VAL A 22 -14.542 12.851 -5.899 1.00 0.00 O ATOM 309 CB VAL A 22 -13.035 10.297 -5.669 1.00 0.00 C ATOM 310 CG1 VAL A 22 -11.933 9.279 -5.923 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.614 11.295 -4.601 1.00 0.00 C ATOM 0 H VAL A 22 -12.014 12.596 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.667 10.291 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.914 9.763 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.683 8.773 -4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.276 8.546 -6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.049 9.788 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.355 10.762 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.749 11.858 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.437 11.981 -4.400 1.00 0.00 H new ATOM 321 N PHE A 23 -15.707 11.657 -7.409 1.00 0.00 N ATOM 322 CA PHE A 23 -16.925 12.443 -7.253 1.00 0.00 C ATOM 323 C PHE A 23 -17.349 12.506 -5.789 1.00 0.00 C ATOM 324 O PHE A 23 -17.128 11.566 -5.024 1.00 0.00 O ATOM 325 CB PHE A 23 -18.054 11.846 -8.097 1.00 0.00 C ATOM 326 CG PHE A 23 -19.323 12.649 -8.054 1.00 0.00 C ATOM 327 CD1 PHE A 23 -19.492 13.747 -8.882 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.347 12.305 -7.186 1.00 0.00 C ATOM 329 CE1 PHE A 23 -20.658 14.488 -8.844 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.516 13.041 -7.144 1.00 0.00 C ATOM 331 CZ PHE A 23 -21.672 14.133 -7.975 1.00 0.00 C ATOM 0 H PHE A 23 -15.779 10.898 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.719 13.457 -7.597 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.720 11.765 -9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.262 10.834 -7.749 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -18.704 14.027 -9.565 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.230 11.452 -6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -20.776 15.343 -9.493 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.306 12.763 -6.462 1.00 0.00 H new ATOM 0 HZ PHE A 23 -22.585 14.709 -7.946 1.00 0.00 H new ATOM 341 N THR A 24 -17.959 13.623 -5.403 1.00 0.00 N ATOM 342 CA THR A 24 -18.412 13.811 -4.031 1.00 0.00 C ATOM 343 C THR A 24 -19.704 13.046 -3.768 1.00 0.00 C ATOM 344 O THR A 24 -20.581 12.975 -4.628 1.00 0.00 O ATOM 345 CB THR A 24 -18.638 15.301 -3.713 1.00 0.00 C ATOM 346 OG1 THR A 24 -19.041 15.456 -2.348 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.697 15.895 -4.630 1.00 0.00 C ATOM 0 H THR A 24 -18.150 14.411 -6.022 1.00 0.00 H new ATOM 0 HA THR A 24 -17.625 13.424 -3.383 1.00 0.00 H new ATOM 0 HB THR A 24 -17.699 15.831 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.181 16.406 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.840 16.948 -4.387 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.374 15.803 -5.667 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.637 15.361 -4.494 1.00 0.00 H new ATOM 355 N GLY A 25 -19.816 12.474 -2.573 1.00 0.00 N ATOM 356 CA GLY A 25 -21.005 11.721 -2.219 1.00 0.00 C ATOM 357 C GLY A 25 -20.897 10.256 -2.594 1.00 0.00 C ATOM 358 O GLY A 25 -21.163 9.378 -1.774 1.00 0.00 O ATOM 0 H GLY A 25 -19.104 12.519 -1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.179 11.806 -1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.870 12.158 -2.718 1.00 0.00 H new ATOM 362 N SER A 26 -20.508 9.992 -3.837 1.00 0.00 N ATOM 363 CA SER A 26 -20.372 8.623 -4.321 1.00 0.00 C ATOM 364 C SER A 26 -19.163 7.941 -3.687 1.00 0.00 C ATOM 365 O SER A 26 -18.227 8.603 -3.239 1.00 0.00 O ATOM 366 CB SER A 26 -20.238 8.609 -5.845 1.00 0.00 C ATOM 367 OG SER A 26 -18.900 8.853 -6.242 1.00 0.00 O ATOM 0 H SER A 26 -20.281 10.708 -4.527 1.00 0.00 H new ATOM 0 HA SER A 26 -21.269 8.073 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 26 -20.566 7.644 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 26 -20.893 9.366 -6.278 1.00 0.00 H new ATOM 0 HG SER A 26 -18.807 8.681 -7.202 1.00 0.00 H new ATOM 373 N ALA A 27 -19.191 6.613 -3.654 1.00 0.00 N ATOM 374 CA ALA A 27 -18.098 5.840 -3.077 1.00 0.00 C ATOM 375 C ALA A 27 -17.275 5.157 -4.164 1.00 0.00 C ATOM 376 O ALA A 27 -17.779 4.874 -5.252 1.00 0.00 O ATOM 377 CB ALA A 27 -18.640 4.810 -2.097 1.00 0.00 C ATOM 0 H ALA A 27 -19.959 6.050 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.444 6.527 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.813 4.240 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.178 5.317 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.318 4.134 -2.618 1.00 0.00 H new ATOM 383 N HIS A 28 -16.007 4.895 -3.864 1.00 0.00 N ATOM 384 CA HIS A 28 -15.115 4.244 -4.817 1.00 0.00 C ATOM 385 C HIS A 28 -14.521 2.971 -4.223 1.00 0.00 C ATOM 386 O HIS A 28 -14.231 2.909 -3.027 1.00 0.00 O ATOM 387 CB HIS A 28 -13.994 5.199 -5.231 1.00 0.00 C ATOM 388 CG HIS A 28 -14.447 6.291 -6.150 1.00 0.00 C ATOM 389 ND1 HIS A 28 -14.376 6.196 -7.524 1.00 0.00 N ATOM 390 CD2 HIS A 28 -14.981 7.506 -5.885 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.845 7.307 -8.064 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.219 8.118 -7.092 1.00 0.00 N ATOM 0 H HIS A 28 -15.574 5.123 -2.969 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.698 3.975 -5.698 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.559 5.645 -4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.204 4.629 -5.719 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.183 7.918 -4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.911 7.516 -9.121 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.620 9.048 -7.217 1.00 0.00 H new ATOM 400 N CYS A 29 -14.343 1.958 -5.064 1.00 0.00 N ATOM 401 CA CYS A 29 -13.785 0.685 -4.621 1.00 0.00 C ATOM 402 C CYS A 29 -12.391 0.472 -5.201 1.00 0.00 C ATOM 403 O CYS A 29 -12.192 0.553 -6.413 1.00 0.00 O ATOM 404 CB CYS A 29 -14.703 -0.467 -5.032 1.00 0.00 C ATOM 405 SG CYS A 29 -14.263 -2.059 -4.295 1.00 0.00 S ATOM 0 H CYS A 29 -14.577 1.993 -6.056 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.707 0.708 -3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.727 -0.219 -4.752 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.684 -0.563 -6.118 1.00 0.00 H new ATOM 0 HG CYS A 29 -15.097 -2.970 -4.700 1.00 0.00 H new ATOM 411 N TYR A 30 -11.428 0.201 -4.327 1.00 0.00 N ATOM 412 CA TYR A 30 -10.050 -0.019 -4.751 1.00 0.00 C ATOM 413 C TYR A 30 -9.551 -1.385 -4.291 1.00 0.00 C ATOM 414 O TYR A 30 -10.244 -2.100 -3.568 1.00 0.00 O ATOM 415 CB TYR A 30 -9.142 1.081 -4.200 1.00 0.00 C ATOM 416 CG TYR A 30 -9.660 2.478 -4.456 1.00 0.00 C ATOM 417 CD1 TYR A 30 -9.620 3.032 -5.729 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.189 3.244 -3.424 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.091 4.309 -5.967 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.664 4.521 -3.654 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.612 5.049 -4.927 1.00 0.00 C ATOM 422 OH TYR A 30 -11.084 6.321 -5.160 1.00 0.00 O ATOM 0 H TYR A 30 -11.576 0.128 -3.320 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.023 0.010 -5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.023 0.938 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.153 0.982 -4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.214 2.455 -6.547 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.229 2.834 -2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.051 4.725 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.074 5.102 -2.841 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.418 6.705 -4.322 1.00 0.00 H new ATOM 432 N GLU A 31 -8.342 -1.740 -4.715 1.00 0.00 N ATOM 433 CA GLU A 31 -7.749 -3.020 -4.347 1.00 0.00 C ATOM 434 C GLU A 31 -6.232 -2.903 -4.230 1.00 0.00 C ATOM 435 O GLU A 31 -5.563 -2.427 -5.147 1.00 0.00 O ATOM 436 CB GLU A 31 -8.111 -4.091 -5.378 1.00 0.00 C ATOM 437 CG GLU A 31 -7.847 -5.509 -4.901 1.00 0.00 C ATOM 438 CD GLU A 31 -8.508 -6.553 -5.780 1.00 0.00 C ATOM 439 OE1 GLU A 31 -8.328 -6.489 -7.014 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.207 -7.432 -5.234 1.00 0.00 O ATOM 0 H GLU A 31 -7.755 -1.159 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.150 -3.311 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.166 -3.994 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.542 -3.912 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.772 -5.686 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.209 -5.618 -3.879 1.00 0.00 H new ATOM 447 N ALA A 32 -5.696 -3.341 -3.095 1.00 0.00 N ATOM 448 CA ALA A 32 -4.259 -3.287 -2.858 1.00 0.00 C ATOM 449 C ALA A 32 -3.716 -4.656 -2.463 1.00 0.00 C ATOM 450 O ALA A 32 -4.015 -5.165 -1.382 1.00 0.00 O ATOM 451 CB ALA A 32 -3.939 -2.260 -1.782 1.00 0.00 C ATOM 0 H ALA A 32 -6.236 -3.737 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.774 -2.987 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.862 -2.231 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.283 -1.277 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.442 -2.535 -0.855 1.00 0.00 H new ATOM 457 N ILE A 33 -2.918 -5.248 -3.346 1.00 0.00 N ATOM 458 CA ILE A 33 -2.334 -6.559 -3.088 1.00 0.00 C ATOM 459 C ILE A 33 -1.135 -6.451 -2.152 1.00 0.00 C ATOM 460 O ILE A 33 -0.284 -5.575 -2.313 1.00 0.00 O ATOM 461 CB ILE A 33 -1.891 -7.244 -4.394 1.00 0.00 C ATOM 462 CG1 ILE A 33 -2.934 -7.021 -5.492 1.00 0.00 C ATOM 463 CG2 ILE A 33 -1.668 -8.731 -4.162 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.360 -7.155 -5.006 1.00 0.00 C ATOM 0 H ILE A 33 -2.661 -4.841 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.109 -7.163 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.949 -6.801 -4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.795 -6.027 -5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.763 -7.738 -6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.355 -9.202 -5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.893 -8.869 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.595 -9.189 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.045 -6.984 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.516 -8.157 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.548 -6.420 -4.224 1.00 0.00 H new ATOM 476 N LEU A 34 -1.072 -7.349 -1.175 1.00 0.00 N ATOM 477 CA LEU A 34 0.024 -7.357 -0.213 1.00 0.00 C ATOM 478 C LEU A 34 0.783 -8.680 -0.263 1.00 0.00 C ATOM 479 O LEU A 34 0.259 -9.722 0.131 1.00 0.00 O ATOM 480 CB LEU A 34 -0.509 -7.115 1.200 1.00 0.00 C ATOM 481 CG LEU A 34 0.526 -6.700 2.246 1.00 0.00 C ATOM 482 CD1 LEU A 34 0.975 -5.266 2.013 1.00 0.00 C ATOM 483 CD2 LEU A 34 -0.039 -6.862 3.650 1.00 0.00 C ATOM 0 H LEU A 34 -1.767 -8.081 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 34 0.712 -6.554 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.276 -6.342 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.998 -8.027 1.543 1.00 0.00 H new ATOM 0 HG LEU A 34 1.394 -7.352 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.712 -4.988 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.420 -5.181 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.115 -4.600 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.712 -6.562 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.924 -6.235 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.310 -7.905 3.815 1.00 0.00 H new ATOM 495 N TYR A 35 2.018 -8.629 -0.747 1.00 0.00 N ATOM 496 CA TYR A 35 2.849 -9.823 -0.849 1.00 0.00 C ATOM 497 C TYR A 35 3.584 -10.089 0.461 1.00 0.00 C ATOM 498 O TYR A 35 4.366 -9.260 0.926 1.00 0.00 O ATOM 499 CB TYR A 35 3.856 -9.674 -1.991 1.00 0.00 C ATOM 500 CG TYR A 35 3.216 -9.631 -3.360 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.311 -8.631 -3.695 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.516 -10.591 -4.319 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.724 -8.588 -4.945 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.934 -10.555 -5.572 1.00 0.00 C ATOM 505 CZ TYR A 35 2.039 -9.552 -5.880 1.00 0.00 C ATOM 506 OH TYR A 35 1.457 -9.514 -7.126 1.00 0.00 O ATOM 0 H TYR A 35 2.467 -7.774 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 35 2.197 -10.671 -1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.432 -8.761 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.560 -10.505 -1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.062 -7.874 -2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.216 -11.378 -4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.022 -7.804 -5.189 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.179 -11.308 -6.306 1.00 0.00 H new ATOM 0 HH TYR A 35 1.787 -10.263 -7.664 1.00 0.00 H new ATOM 516 N ASN A 36 3.328 -11.251 1.051 1.00 0.00 N ATOM 517 CA ASN A 36 3.965 -11.628 2.308 1.00 0.00 C ATOM 518 C ASN A 36 5.329 -12.263 2.058 1.00 0.00 C ATOM 519 O ASN A 36 5.425 -13.353 1.493 1.00 0.00 O ATOM 520 CB ASN A 36 3.073 -12.598 3.085 1.00 0.00 C ATOM 521 CG ASN A 36 3.708 -13.052 4.385 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.572 -12.371 4.938 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.283 -14.209 4.879 1.00 0.00 N ATOM 0 H ASN A 36 2.684 -11.949 0.679 1.00 0.00 H new ATOM 0 HA ASN A 36 4.108 -10.724 2.899 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.118 -12.118 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.860 -13.468 2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.675 -14.566 5.750 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.565 -14.741 4.387 1.00 0.00 H new ATOM 530 N LYS A 37 6.383 -11.573 2.482 1.00 0.00 N ATOM 531 CA LYS A 37 7.743 -12.069 2.306 1.00 0.00 C ATOM 532 C LYS A 37 8.246 -12.741 3.580 1.00 0.00 C ATOM 533 O LYS A 37 9.390 -12.543 3.988 1.00 0.00 O ATOM 534 CB LYS A 37 8.679 -10.923 1.918 1.00 0.00 C ATOM 535 CG LYS A 37 8.374 -10.323 0.556 1.00 0.00 C ATOM 536 CD LYS A 37 8.852 -11.224 -0.570 1.00 0.00 C ATOM 537 CE LYS A 37 8.561 -10.615 -1.933 1.00 0.00 C ATOM 538 NZ LYS A 37 9.653 -9.707 -2.379 1.00 0.00 N ATOM 0 H LYS A 37 6.321 -10.669 2.950 1.00 0.00 H new ATOM 0 HA LYS A 37 7.733 -12.809 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.614 -10.140 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.707 -11.287 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.300 -10.160 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.854 -9.348 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.923 -11.397 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.363 -12.195 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.429 -11.411 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.623 -10.061 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.417 -9.312 -3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.763 -8.933 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.543 -10.241 -2.444 1.00 0.00 H new ATOM 552 N GLY A 38 7.384 -13.537 4.204 1.00 0.00 N ATOM 553 CA GLY A 38 7.760 -14.227 5.424 1.00 0.00 C ATOM 554 C GLY A 38 7.858 -15.728 5.235 1.00 0.00 C ATOM 555 O GLY A 38 7.283 -16.281 4.299 1.00 0.00 O ATOM 0 H GLY A 38 6.431 -13.717 3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.719 -13.845 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.028 -14.009 6.201 1.00 0.00 H new ATOM 559 N SER A 39 8.591 -16.388 6.126 1.00 0.00 N ATOM 560 CA SER A 39 8.768 -17.833 6.050 1.00 0.00 C ATOM 561 C SER A 39 7.515 -18.560 6.529 1.00 0.00 C ATOM 562 O SER A 39 7.256 -19.698 6.136 1.00 0.00 O ATOM 563 CB SER A 39 9.973 -18.266 6.888 1.00 0.00 C ATOM 564 OG SER A 39 10.365 -19.590 6.571 1.00 0.00 O ATOM 0 H SER A 39 9.072 -15.945 6.909 1.00 0.00 H new ATOM 0 HA SER A 39 8.945 -18.097 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.806 -17.585 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.726 -18.200 7.948 1.00 0.00 H new ATOM 0 HG SER A 39 11.138 -19.842 7.119 1.00 0.00 H new ATOM 570 N ILE A 40 6.741 -17.894 7.379 1.00 0.00 N ATOM 571 CA ILE A 40 5.515 -18.475 7.911 1.00 0.00 C ATOM 572 C ILE A 40 4.409 -17.429 8.011 1.00 0.00 C ATOM 573 O ILE A 40 4.642 -16.242 7.786 1.00 0.00 O ATOM 574 CB ILE A 40 5.744 -19.098 9.301 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.171 -18.022 10.302 1.00 0.00 C ATOM 576 CG2 ILE A 40 6.788 -20.201 9.222 1.00 0.00 C ATOM 577 CD1 ILE A 40 5.880 -18.386 11.741 1.00 0.00 C ATOM 0 H ILE A 40 6.941 -16.952 7.714 1.00 0.00 H new ATOM 0 HA ILE A 40 5.210 -19.258 7.217 1.00 0.00 H new ATOM 0 HB ILE A 40 4.807 -19.536 9.645 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.240 -17.838 10.191 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.660 -17.090 10.061 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.938 -20.631 10.212 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.446 -20.977 8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.729 -19.786 8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.209 -17.578 12.394 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.809 -18.542 11.867 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.413 -19.301 12.000 1.00 0.00 H new ATOM 589 N ASP A 41 3.206 -17.879 8.351 1.00 0.00 N ATOM 590 CA ASP A 41 2.064 -16.982 8.483 1.00 0.00 C ATOM 591 C ASP A 41 2.495 -15.635 9.056 1.00 0.00 C ATOM 592 O ASP A 41 3.302 -15.573 9.983 1.00 0.00 O ATOM 593 CB ASP A 41 0.995 -17.612 9.377 1.00 0.00 C ATOM 594 CG ASP A 41 1.589 -18.494 10.457 1.00 0.00 C ATOM 595 OD1 ASP A 41 2.191 -17.947 11.405 1.00 0.00 O ATOM 596 OD2 ASP A 41 1.452 -19.731 10.356 1.00 0.00 O ATOM 0 H ASP A 41 2.997 -18.859 8.540 1.00 0.00 H new ATOM 0 HA ASP A 41 1.645 -16.817 7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.403 -16.823 9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.314 -18.202 8.764 1.00 0.00 H new ATOM 601 N ALA A 42 1.951 -14.559 8.497 1.00 0.00 N ATOM 602 CA ALA A 42 2.278 -13.214 8.953 1.00 0.00 C ATOM 603 C ALA A 42 1.022 -12.455 9.368 1.00 0.00 C ATOM 604 O ALA A 42 0.117 -12.242 8.560 1.00 0.00 O ATOM 605 CB ALA A 42 3.021 -12.454 7.864 1.00 0.00 C ATOM 0 H ALA A 42 1.282 -14.593 7.728 1.00 0.00 H new ATOM 0 HA ALA A 42 2.924 -13.300 9.827 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.259 -11.451 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.943 -12.980 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.394 -12.386 6.975 1.00 0.00 H new ATOM 611 N LEU A 43 0.974 -12.048 10.632 1.00 0.00 N ATOM 612 CA LEU A 43 -0.172 -11.313 11.155 1.00 0.00 C ATOM 613 C LEU A 43 -0.101 -9.841 10.761 1.00 0.00 C ATOM 614 O LEU A 43 0.923 -9.185 10.955 1.00 0.00 O ATOM 615 CB LEU A 43 -0.235 -11.442 12.678 1.00 0.00 C ATOM 616 CG LEU A 43 -0.328 -12.866 13.227 1.00 0.00 C ATOM 617 CD1 LEU A 43 1.025 -13.557 13.154 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.845 -12.853 14.659 1.00 0.00 C ATOM 0 H LEU A 43 1.715 -12.215 11.313 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.075 -11.743 10.723 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.652 -10.968 13.100 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.097 -10.879 13.035 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.032 -13.426 12.612 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.938 -14.569 13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.356 -13.600 12.116 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.751 -12.998 13.744 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.905 -13.875 15.034 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.165 -12.276 15.286 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.836 -12.399 14.684 1.00 0.00 H new ATOM 630 N PHE A 44 -1.195 -9.327 10.209 1.00 0.00 N ATOM 631 CA PHE A 44 -1.257 -7.932 9.789 1.00 0.00 C ATOM 632 C PHE A 44 -2.538 -7.270 10.288 1.00 0.00 C ATOM 633 O PHE A 44 -3.524 -7.945 10.581 1.00 0.00 O ATOM 634 CB PHE A 44 -1.179 -7.833 8.264 1.00 0.00 C ATOM 635 CG PHE A 44 -2.457 -8.211 7.572 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.785 -9.542 7.373 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.330 -7.235 7.120 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.961 -9.894 6.737 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.508 -7.581 6.484 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.823 -8.911 6.291 1.00 0.00 C ATOM 0 H PHE A 44 -2.051 -9.856 10.042 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.405 -7.409 10.224 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.914 -6.813 7.987 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.377 -8.479 7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.114 -10.314 7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.088 -6.193 7.266 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.205 -10.936 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.182 -6.811 6.138 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.742 -9.183 5.792 1.00 0.00 H new ATOM 650 N ASN A 45 -2.514 -5.945 10.381 1.00 0.00 N ATOM 651 CA ASN A 45 -3.673 -5.191 10.846 1.00 0.00 C ATOM 652 C ASN A 45 -3.587 -3.733 10.402 1.00 0.00 C ATOM 653 O ASN A 45 -2.499 -3.168 10.303 1.00 0.00 O ATOM 654 CB ASN A 45 -3.779 -5.265 12.370 1.00 0.00 C ATOM 655 CG ASN A 45 -4.991 -4.526 12.903 1.00 0.00 C ATOM 656 OD1 ASN A 45 -6.115 -5.024 12.835 1.00 0.00 O ATOM 657 ND2 ASN A 45 -4.768 -3.331 13.436 1.00 0.00 N ATOM 0 H ASN A 45 -1.706 -5.371 10.141 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.565 -5.636 10.405 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.830 -6.310 12.677 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.877 -4.845 12.815 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.545 -2.786 13.810 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.820 -2.957 13.471 1.00 0.00 H new ATOM 664 N MET A 46 -4.742 -3.132 10.137 1.00 0.00 N ATOM 665 CA MET A 46 -4.798 -1.740 9.705 1.00 0.00 C ATOM 666 C MET A 46 -4.988 -0.809 10.898 1.00 0.00 C ATOM 667 O MET A 46 -5.684 -1.145 11.857 1.00 0.00 O ATOM 668 CB MET A 46 -5.934 -1.541 8.700 1.00 0.00 C ATOM 669 CG MET A 46 -5.814 -2.419 7.465 1.00 0.00 C ATOM 670 SD MET A 46 -4.377 -2.007 6.457 1.00 0.00 S ATOM 671 CE MET A 46 -4.399 -0.219 6.550 1.00 0.00 C ATOM 0 H MET A 46 -5.652 -3.587 10.214 1.00 0.00 H new ATOM 0 HA MET A 46 -3.851 -1.496 9.224 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.884 -1.749 9.192 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.956 -0.496 8.392 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.751 -3.463 7.771 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.717 -2.317 6.863 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.852 0.196 5.704 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.430 0.134 6.524 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.929 0.103 7.479 1.00 0.00 H new ATOM 681 N THR A 47 -4.366 0.364 10.832 1.00 0.00 N ATOM 682 CA THR A 47 -4.466 1.344 11.907 1.00 0.00 C ATOM 683 C THR A 47 -5.323 2.533 11.489 1.00 0.00 C ATOM 684 O THR A 47 -5.201 3.058 10.382 1.00 0.00 O ATOM 685 CB THR A 47 -3.076 1.852 12.334 1.00 0.00 C ATOM 686 OG1 THR A 47 -2.320 0.783 12.913 1.00 0.00 O ATOM 687 CG2 THR A 47 -3.201 2.991 13.336 1.00 0.00 C ATOM 0 H THR A 47 -3.787 0.659 10.045 1.00 0.00 H new ATOM 0 HA THR A 47 -4.936 0.840 12.752 1.00 0.00 H new ATOM 0 HB THR A 47 -2.561 2.222 11.448 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.521 1.146 13.349 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.207 3.334 13.623 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.752 3.815 12.883 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.734 2.641 14.220 1.00 0.00 H new ATOM 695 N PRO A 48 -6.212 2.970 12.394 1.00 0.00 N ATOM 696 CA PRO A 48 -7.107 4.103 12.141 1.00 0.00 C ATOM 697 C PRO A 48 -6.359 5.431 12.090 1.00 0.00 C ATOM 698 O PRO A 48 -5.577 5.766 12.980 1.00 0.00 O ATOM 699 CB PRO A 48 -8.062 4.074 13.337 1.00 0.00 C ATOM 700 CG PRO A 48 -7.295 3.396 14.419 1.00 0.00 C ATOM 701 CD PRO A 48 -6.411 2.391 13.733 1.00 0.00 C ATOM 0 HA PRO A 48 -7.607 4.020 11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.357 5.081 13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.977 3.530 13.100 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.703 4.114 14.986 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.966 2.908 15.126 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.465 2.262 14.260 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.883 1.410 13.681 1.00 0.00 H new ATOM 709 N PRO A 49 -6.603 6.208 11.024 1.00 0.00 N ATOM 710 CA PRO A 49 -5.963 7.512 10.831 1.00 0.00 C ATOM 711 C PRO A 49 -6.461 8.554 11.827 1.00 0.00 C ATOM 712 O PRO A 49 -7.551 8.424 12.386 1.00 0.00 O ATOM 713 CB PRO A 49 -6.367 7.899 9.406 1.00 0.00 C ATOM 714 CG PRO A 49 -7.638 7.161 9.159 1.00 0.00 C ATOM 715 CD PRO A 49 -7.523 5.872 9.924 1.00 0.00 C ATOM 0 HA PRO A 49 -4.885 7.464 10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.510 8.976 9.314 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.599 7.617 8.686 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.498 7.740 9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.779 6.972 8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.491 5.539 10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.128 5.069 9.301 1.00 0.00 H new ATOM 723 N THR A 50 -5.656 9.590 12.045 1.00 0.00 N ATOM 724 CA THR A 50 -6.015 10.654 12.974 1.00 0.00 C ATOM 725 C THR A 50 -6.786 11.764 12.268 1.00 0.00 C ATOM 726 O THR A 50 -7.671 12.388 12.854 1.00 0.00 O ATOM 727 CB THR A 50 -4.767 11.259 13.644 1.00 0.00 C ATOM 728 OG1 THR A 50 -5.158 12.217 14.634 1.00 0.00 O ATOM 729 CG2 THR A 50 -3.869 11.926 12.613 1.00 0.00 C ATOM 0 H THR A 50 -4.751 9.714 11.591 1.00 0.00 H new ATOM 0 HA THR A 50 -6.648 10.205 13.739 1.00 0.00 H new ATOM 0 HB THR A 50 -4.210 10.452 14.120 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.359 12.596 15.056 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.994 12.346 13.110 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.549 11.188 11.877 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.419 12.723 12.112 1.00 0.00 H new ATOM 737 N SER A 51 -6.447 12.003 11.005 1.00 0.00 N ATOM 738 CA SER A 51 -7.106 13.040 10.220 1.00 0.00 C ATOM 739 C SER A 51 -8.548 12.650 9.908 1.00 0.00 C ATOM 740 O SER A 51 -8.885 11.468 9.851 1.00 0.00 O ATOM 741 CB SER A 51 -6.340 13.289 8.919 1.00 0.00 C ATOM 742 OG SER A 51 -6.067 12.071 8.247 1.00 0.00 O ATOM 0 H SER A 51 -5.720 11.493 10.504 1.00 0.00 H new ATOM 0 HA SER A 51 -7.115 13.957 10.809 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.922 13.944 8.270 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.405 13.805 9.137 1.00 0.00 H new ATOM 0 HG SER A 51 -5.101 11.985 8.104 1.00 0.00 H new ATOM 748 N ALA A 52 -9.395 13.654 9.706 1.00 0.00 N ATOM 749 CA ALA A 52 -10.800 13.419 9.397 1.00 0.00 C ATOM 750 C ALA A 52 -10.954 12.671 8.077 1.00 0.00 C ATOM 751 O ALA A 52 -11.661 11.665 8.000 1.00 0.00 O ATOM 752 CB ALA A 52 -11.559 14.736 9.352 1.00 0.00 C ATOM 0 H ALA A 52 -9.132 14.639 9.751 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.221 12.798 10.188 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.607 14.544 9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.486 15.231 10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.129 15.378 8.583 1.00 0.00 H new ATOM 758 N LEU A 53 -10.290 13.170 7.040 1.00 0.00 N ATOM 759 CA LEU A 53 -10.354 12.549 5.721 1.00 0.00 C ATOM 760 C LEU A 53 -9.882 11.100 5.778 1.00 0.00 C ATOM 761 O LEU A 53 -10.580 10.191 5.330 1.00 0.00 O ATOM 762 CB LEU A 53 -9.502 13.336 4.724 1.00 0.00 C ATOM 763 CG LEU A 53 -9.895 13.201 3.252 1.00 0.00 C ATOM 764 CD1 LEU A 53 -9.795 11.751 2.804 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.301 13.736 3.024 1.00 0.00 C ATOM 0 H LEU A 53 -9.702 14.002 7.087 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.393 12.560 5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.543 14.391 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.465 13.019 4.833 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.202 13.793 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.078 11.674 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.770 11.401 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.465 11.137 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.564 13.632 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.008 13.172 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.340 14.788 3.305 1.00 0.00 H new ATOM 777 N GLY A 54 -8.692 10.891 6.334 1.00 0.00 N ATOM 778 CA GLY A 54 -8.149 9.550 6.441 1.00 0.00 C ATOM 779 C GLY A 54 -9.160 8.555 6.975 1.00 0.00 C ATOM 780 O GLY A 54 -9.212 7.411 6.525 1.00 0.00 O ATOM 0 H GLY A 54 -8.095 11.627 6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.804 9.222 5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.278 9.565 7.096 1.00 0.00 H new ATOM 784 N ALA A 55 -9.964 8.991 7.939 1.00 0.00 N ATOM 785 CA ALA A 55 -10.978 8.131 8.535 1.00 0.00 C ATOM 786 C ALA A 55 -11.948 7.612 7.479 1.00 0.00 C ATOM 787 O ALA A 55 -12.246 6.418 7.430 1.00 0.00 O ATOM 788 CB ALA A 55 -11.733 8.880 9.624 1.00 0.00 C ATOM 0 H ALA A 55 -9.933 9.935 8.324 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.474 7.274 8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.487 8.225 10.060 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.035 9.196 10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.218 9.756 9.194 1.00 0.00 H new ATOM 794 N CYS A 56 -12.437 8.515 6.637 1.00 0.00 N ATOM 795 CA CYS A 56 -13.374 8.148 5.581 1.00 0.00 C ATOM 796 C CYS A 56 -12.993 6.809 4.957 1.00 0.00 C ATOM 797 O CYS A 56 -13.843 5.940 4.761 1.00 0.00 O ATOM 798 CB CYS A 56 -13.413 9.233 4.505 1.00 0.00 C ATOM 799 SG CYS A 56 -13.771 10.889 5.138 1.00 0.00 S ATOM 0 H CYS A 56 -12.200 9.507 6.665 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.365 8.052 6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.453 9.253 3.989 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.167 8.968 3.764 1.00 0.00 H new ATOM 0 HG CYS A 56 -12.922 11.188 6.076 1.00 0.00 H new ATOM 805 N PHE A 57 -11.711 6.650 4.647 1.00 0.00 N ATOM 806 CA PHE A 57 -11.218 5.418 4.042 1.00 0.00 C ATOM 807 C PHE A 57 -11.498 4.220 4.944 1.00 0.00 C ATOM 808 O PHE A 57 -11.546 4.347 6.167 1.00 0.00 O ATOM 809 CB PHE A 57 -9.716 5.525 3.769 1.00 0.00 C ATOM 810 CG PHE A 57 -9.379 6.422 2.612 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.254 7.790 2.793 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.187 5.897 1.345 1.00 0.00 C ATOM 813 CE1 PHE A 57 -8.945 8.618 1.730 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.877 6.720 0.278 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.755 8.082 0.472 1.00 0.00 C ATOM 0 H PHE A 57 -10.994 7.359 4.805 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.743 5.270 3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.218 5.897 4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.318 4.529 3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.400 8.214 3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.280 4.832 1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.852 9.683 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.731 6.298 -0.705 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.511 8.727 -0.359 1.00 0.00 H new ATOM 825 N VAL A 58 -11.684 3.056 4.330 1.00 0.00 N ATOM 826 CA VAL A 58 -11.960 1.833 5.075 1.00 0.00 C ATOM 827 C VAL A 58 -11.162 0.659 4.519 1.00 0.00 C ATOM 828 O VAL A 58 -11.449 0.160 3.431 1.00 0.00 O ATOM 829 CB VAL A 58 -13.459 1.483 5.044 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.727 0.213 5.838 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.288 2.641 5.578 1.00 0.00 C ATOM 0 H VAL A 58 -11.649 2.934 3.318 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.659 2.016 6.107 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.751 1.305 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.792 -0.019 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.162 -0.613 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.420 0.360 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.345 2.376 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -13.996 2.854 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.118 3.524 4.962 1.00 0.00 H new ATOM 841 N PHE A 59 -10.160 0.221 5.274 1.00 0.00 N ATOM 842 CA PHE A 59 -9.320 -0.895 4.857 1.00 0.00 C ATOM 843 C PHE A 59 -9.784 -2.197 5.504 1.00 0.00 C ATOM 844 O PHE A 59 -10.095 -2.235 6.694 1.00 0.00 O ATOM 845 CB PHE A 59 -7.858 -0.625 5.221 1.00 0.00 C ATOM 846 CG PHE A 59 -7.268 0.551 4.497 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.733 1.834 4.737 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.248 0.374 3.576 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.192 2.917 4.071 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.702 1.454 2.908 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.175 2.727 3.157 1.00 0.00 C ATOM 0 H PHE A 59 -9.910 0.622 6.178 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.405 -0.996 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.785 -0.454 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.266 -1.513 4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.527 1.989 5.452 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.875 -0.620 3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.565 3.912 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.907 1.302 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.750 3.573 2.637 1.00 0.00 H new ATOM 861 N SER A 60 -9.829 -3.262 4.710 1.00 0.00 N ATOM 862 CA SER A 60 -10.260 -4.565 5.202 1.00 0.00 C ATOM 863 C SER A 60 -9.555 -5.690 4.451 1.00 0.00 C ATOM 864 O SER A 60 -9.055 -5.511 3.341 1.00 0.00 O ATOM 865 CB SER A 60 -11.776 -4.713 5.059 1.00 0.00 C ATOM 866 OG SER A 60 -12.450 -4.170 6.181 1.00 0.00 O ATOM 0 H SER A 60 -9.572 -3.248 3.723 1.00 0.00 H new ATOM 0 HA SER A 60 -9.994 -4.633 6.257 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.110 -4.209 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.033 -5.767 4.951 1.00 0.00 H new ATOM 0 HG SER A 60 -11.904 -3.460 6.578 1.00 0.00 H new ATOM 872 N PRO A 61 -9.514 -6.879 5.070 1.00 0.00 N ATOM 873 CA PRO A 61 -10.105 -7.104 6.393 1.00 0.00 C ATOM 874 C PRO A 61 -9.338 -6.390 7.500 1.00 0.00 C ATOM 875 O PRO A 61 -8.107 -6.387 7.514 1.00 0.00 O ATOM 876 CB PRO A 61 -10.012 -8.622 6.570 1.00 0.00 C ATOM 877 CG PRO A 61 -8.874 -9.035 5.702 1.00 0.00 C ATOM 878 CD PRO A 61 -8.886 -8.096 4.528 1.00 0.00 C ATOM 0 HA PRO A 61 -11.121 -6.715 6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.833 -8.889 7.611 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.938 -9.113 6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.929 -8.973 6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.987 -10.069 5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.879 -7.899 4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.455 -8.504 3.693 1.00 0.00 H new ATOM 886 N LYS A 62 -10.072 -5.786 8.428 1.00 0.00 N ATOM 887 CA LYS A 62 -9.461 -5.070 9.541 1.00 0.00 C ATOM 888 C LYS A 62 -8.210 -5.792 10.032 1.00 0.00 C ATOM 889 O LYS A 62 -7.289 -5.168 10.558 1.00 0.00 O ATOM 890 CB LYS A 62 -10.462 -4.923 10.690 1.00 0.00 C ATOM 891 CG LYS A 62 -10.999 -6.248 11.202 1.00 0.00 C ATOM 892 CD LYS A 62 -11.811 -6.067 12.473 1.00 0.00 C ATOM 893 CE LYS A 62 -13.247 -5.671 12.166 1.00 0.00 C ATOM 894 NZ LYS A 62 -14.035 -5.434 13.408 1.00 0.00 N ATOM 0 H LYS A 62 -11.092 -5.778 8.431 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.172 -4.080 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.983 -4.393 11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.297 -4.307 10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.620 -6.711 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.169 -6.928 11.393 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.803 -6.994 13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.347 -5.303 13.096 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.252 -4.768 11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.723 -6.456 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.008 -5.166 13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.052 -6.303 13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.596 -4.667 13.957 1.00 0.00 H new ATOM 908 N GLU A 63 -8.184 -7.109 9.854 1.00 0.00 N ATOM 909 CA GLU A 63 -7.045 -7.914 10.278 1.00 0.00 C ATOM 910 C GLU A 63 -7.144 -9.332 9.724 1.00 0.00 C ATOM 911 O GLU A 63 -8.238 -9.841 9.483 1.00 0.00 O ATOM 912 CB GLU A 63 -6.963 -7.957 11.806 1.00 0.00 C ATOM 913 CG GLU A 63 -8.034 -8.821 12.449 1.00 0.00 C ATOM 914 CD GLU A 63 -7.686 -9.222 13.869 1.00 0.00 C ATOM 915 OE1 GLU A 63 -7.003 -8.434 14.557 1.00 0.00 O ATOM 916 OE2 GLU A 63 -8.094 -10.323 14.293 1.00 0.00 O ATOM 0 H GLU A 63 -8.938 -7.641 9.419 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.140 -7.451 9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.982 -8.332 12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.045 -6.942 12.195 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.980 -8.280 12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.181 -9.718 11.848 1.00 0.00 H new ATOM 923 N GLY A 64 -5.992 -9.965 9.523 1.00 0.00 N ATOM 924 CA GLY A 64 -5.971 -11.317 8.997 1.00 0.00 C ATOM 925 C GLY A 64 -4.563 -11.864 8.861 1.00 0.00 C ATOM 926 O GLY A 64 -3.599 -11.227 9.287 1.00 0.00 O ATOM 0 H GLY A 64 -5.073 -9.565 9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.549 -11.968 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.459 -11.332 8.023 1.00 0.00 H new ATOM 930 N ILE A 65 -4.445 -13.047 8.268 1.00 0.00 N ATOM 931 CA ILE A 65 -3.145 -13.679 8.078 1.00 0.00 C ATOM 932 C ILE A 65 -2.814 -13.820 6.596 1.00 0.00 C ATOM 933 O ILE A 65 -3.704 -14.004 5.766 1.00 0.00 O ATOM 934 CB ILE A 65 -3.093 -15.069 8.739 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.571 -14.986 10.190 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.682 -15.634 8.672 1.00 0.00 C ATOM 937 CD1 ILE A 65 -2.727 -14.076 11.054 1.00 0.00 C ATOM 0 H ILE A 65 -5.233 -13.587 7.911 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.407 -13.032 8.553 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.758 -15.739 8.195 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.602 -14.633 10.204 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.570 -15.987 10.622 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.661 -16.617 9.143 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.375 -15.724 7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.997 -14.966 9.195 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.125 -14.066 12.069 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.700 -14.440 11.070 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.748 -13.065 10.646 1.00 0.00 H new ATOM 949 N ILE A 66 -1.528 -13.734 6.272 1.00 0.00 N ATOM 950 CA ILE A 66 -1.079 -13.855 4.891 1.00 0.00 C ATOM 951 C ILE A 66 -0.109 -15.020 4.728 1.00 0.00 C ATOM 952 O ILE A 66 0.979 -15.020 5.303 1.00 0.00 O ATOM 953 CB ILE A 66 -0.397 -12.562 4.405 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.235 -11.342 4.791 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.181 -12.610 2.900 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.644 -10.031 4.320 1.00 0.00 C ATOM 0 H ILE A 66 -0.779 -13.581 6.947 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.967 -14.037 4.286 1.00 0.00 H new ATOM 0 HB ILE A 66 0.576 -12.478 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.236 -11.451 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.344 -11.314 5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.302 -11.689 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.453 -13.461 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.143 -12.714 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.290 -9.209 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.345 -9.899 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.561 -10.039 3.233 1.00 0.00 H new ATOM 968 N GLU A 67 -0.512 -16.012 3.940 1.00 0.00 N ATOM 969 CA GLU A 67 0.323 -17.184 3.700 1.00 0.00 C ATOM 970 C GLU A 67 1.705 -16.774 3.199 1.00 0.00 C ATOM 971 O GLU A 67 1.877 -15.743 2.549 1.00 0.00 O ATOM 972 CB GLU A 67 -0.344 -18.114 2.686 1.00 0.00 C ATOM 973 CG GLU A 67 -0.914 -17.390 1.478 1.00 0.00 C ATOM 974 CD GLU A 67 -2.338 -16.918 1.698 1.00 0.00 C ATOM 975 OE1 GLU A 67 -3.268 -17.728 1.502 1.00 0.00 O ATOM 976 OE2 GLU A 67 -2.522 -15.739 2.065 1.00 0.00 O ATOM 0 H GLU A 67 -1.410 -16.028 3.457 1.00 0.00 H new ATOM 0 HA GLU A 67 0.441 -17.714 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.385 -18.850 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.145 -18.663 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.284 -16.533 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.885 -18.054 0.614 1.00 0.00 H new ATOM 983 N PRO A 68 2.715 -17.600 3.509 1.00 0.00 N ATOM 984 CA PRO A 68 4.100 -17.346 3.101 1.00 0.00 C ATOM 985 C PRO A 68 4.300 -17.507 1.598 1.00 0.00 C ATOM 986 O PRO A 68 3.713 -18.392 0.975 1.00 0.00 O ATOM 987 CB PRO A 68 4.895 -18.408 3.863 1.00 0.00 C ATOM 988 CG PRO A 68 3.921 -19.509 4.106 1.00 0.00 C ATOM 989 CD PRO A 68 2.583 -18.847 4.282 1.00 0.00 C ATOM 0 HA PRO A 68 4.409 -16.324 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.749 -18.756 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.287 -18.012 4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.904 -20.207 3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.193 -20.082 4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.773 -19.471 3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.368 -18.648 5.332 1.00 0.00 H new ATOM 997 N SER A 69 5.132 -16.646 1.021 1.00 0.00 N ATOM 998 CA SER A 69 5.406 -16.691 -0.411 1.00 0.00 C ATOM 999 C SER A 69 4.125 -16.496 -1.216 1.00 0.00 C ATOM 1000 O SER A 69 3.995 -17.003 -2.329 1.00 0.00 O ATOM 1001 CB SER A 69 6.059 -18.023 -0.784 1.00 0.00 C ATOM 1002 OG SER A 69 7.446 -18.011 -0.493 1.00 0.00 O ATOM 0 H SER A 69 5.628 -15.909 1.523 1.00 0.00 H new ATOM 0 HA SER A 69 6.092 -15.878 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.577 -18.833 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.909 -18.221 -1.845 1.00 0.00 H new ATOM 0 HG SER A 69 7.839 -18.874 -0.739 1.00 0.00 H new ATOM 1008 N GLY A 70 3.180 -15.756 -0.643 1.00 0.00 N ATOM 1009 CA GLY A 70 1.921 -15.507 -1.321 1.00 0.00 C ATOM 1010 C GLY A 70 1.508 -14.050 -1.258 1.00 0.00 C ATOM 1011 O GLY A 70 2.328 -13.176 -0.976 1.00 0.00 O ATOM 0 H GLY A 70 3.264 -15.325 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.007 -15.813 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.142 -16.122 -0.871 1.00 0.00 H new ATOM 1015 N VAL A 71 0.233 -13.786 -1.524 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.288 -12.424 -1.498 1.00 0.00 C ATOM 1017 C VAL A 71 -1.640 -12.367 -0.796 1.00 0.00 C ATOM 1018 O VAL A 71 -2.247 -13.399 -0.512 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.435 -11.852 -2.920 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.931 -11.634 -3.552 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.289 -12.773 -3.779 1.00 0.00 C ATOM 0 H VAL A 71 -0.459 -14.497 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 71 0.431 -11.820 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.936 -10.886 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.807 -11.229 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.504 -10.932 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.462 -12.584 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.382 -12.353 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.818 -13.754 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.279 -12.872 -3.333 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.106 -11.153 -0.519 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.387 -10.961 0.150 1.00 0.00 C ATOM 1033 C GLN A 72 -4.111 -9.737 -0.401 1.00 0.00 C ATOM 1034 O GLN A 72 -3.608 -8.617 -0.318 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.181 -10.811 1.658 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.430 -10.364 2.401 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.482 -11.453 2.482 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.168 -12.619 2.725 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.739 -11.078 2.277 1.00 0.00 N ATOM 0 H GLN A 72 -1.616 -10.288 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.003 -11.840 -0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.846 -11.764 2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.384 -10.090 1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.157 -10.053 3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.853 -9.492 1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.954 -10.101 2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.490 -11.767 2.318 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.294 -9.959 -0.963 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.088 -8.873 -1.526 1.00 0.00 C ATOM 1050 C ALA A 73 -6.694 -8.008 -0.426 1.00 0.00 C ATOM 1051 O ALA A 73 -7.271 -8.522 0.533 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.182 -9.431 -2.424 1.00 0.00 C ATOM 0 H ALA A 73 -5.724 -10.881 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.427 -8.245 -2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.767 -8.610 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.731 -10.000 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.833 -10.083 -1.842 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.557 -6.695 -0.570 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.091 -5.759 0.412 1.00 0.00 C ATOM 1060 C ILE A 74 -8.183 -4.886 -0.198 1.00 0.00 C ATOM 1061 O ILE A 74 -7.969 -4.230 -1.217 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.986 -4.853 0.986 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.901 -5.698 1.656 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.577 -3.859 1.975 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.296 -6.220 3.019 1.00 0.00 C ATOM 0 H ILE A 74 -6.081 -6.255 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.515 -6.356 1.219 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.532 -4.295 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.658 -6.541 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.995 -5.100 1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.784 -3.226 2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.317 -3.239 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.054 -4.399 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.479 -6.810 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.511 -5.382 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.184 -6.845 2.926 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.352 -4.882 0.434 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.477 -4.088 -0.046 1.00 0.00 C ATOM 1079 C GLN A 75 -10.489 -2.710 0.608 1.00 0.00 C ATOM 1080 O GLN A 75 -10.676 -2.589 1.818 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.795 -4.811 0.236 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.062 -5.977 -0.702 1.00 0.00 C ATOM 1083 CD GLN A 75 -11.063 -7.104 -0.530 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -11.043 -7.780 0.499 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -10.227 -7.313 -1.540 1.00 0.00 N ATOM 0 H GLN A 75 -9.545 -5.419 1.279 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.365 -3.958 -1.122 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.787 -5.176 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.615 -4.097 0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.068 -6.358 -0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.032 -5.624 -1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.279 -6.729 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.533 -8.058 -1.482 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.288 -1.676 -0.201 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.276 -0.306 0.299 1.00 0.00 C ATOM 1096 C ILE A 76 -11.489 0.472 -0.201 1.00 0.00 C ATOM 1097 O ILE A 76 -11.713 0.584 -1.406 1.00 0.00 O ATOM 1098 CB ILE A 76 -8.994 0.436 -0.123 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.761 -0.269 0.444 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.044 1.884 0.342 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.453 0.344 -0.007 1.00 0.00 C ATOM 0 H ILE A 76 -10.131 -1.760 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.309 -0.366 1.387 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.926 0.426 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.808 -0.245 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.783 -1.317 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.131 2.396 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.905 2.380 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.131 1.915 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.622 -0.207 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.384 0.296 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.409 1.385 0.314 1.00 0.00 H new ATOM 1113 N SER A 77 -12.267 1.008 0.733 1.00 0.00 N ATOM 1114 CA SER A 77 -13.458 1.775 0.388 1.00 0.00 C ATOM 1115 C SER A 77 -13.387 3.183 0.971 1.00 0.00 C ATOM 1116 O SER A 77 -13.271 3.359 2.184 1.00 0.00 O ATOM 1117 CB SER A 77 -14.714 1.063 0.896 1.00 0.00 C ATOM 1118 OG SER A 77 -15.223 0.169 -0.078 1.00 0.00 O ATOM 0 H SER A 77 -12.094 0.925 1.735 1.00 0.00 H new ATOM 0 HA SER A 77 -13.507 1.853 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.481 0.516 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.476 1.800 1.151 1.00 0.00 H new ATOM 0 HG SER A 77 -16.024 -0.274 0.272 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.456 4.182 0.098 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.398 5.576 0.525 1.00 0.00 C ATOM 1126 C PHE A 78 -14.708 6.295 0.215 1.00 0.00 C ATOM 1127 O PHE A 78 -15.434 5.914 -0.703 1.00 0.00 O ATOM 1128 CB PHE A 78 -12.234 6.293 -0.161 1.00 0.00 C ATOM 1129 CG PHE A 78 -12.403 7.784 -0.224 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -12.311 8.555 0.923 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -12.655 8.415 -1.432 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -12.465 9.928 0.868 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -12.810 9.787 -1.494 1.00 0.00 C ATOM 1134 CZ PHE A 78 -12.716 10.544 -0.342 1.00 0.00 C ATOM 0 H PHE A 78 -13.552 4.053 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.241 5.594 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.311 6.062 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.124 5.905 -1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.117 8.078 1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -12.731 7.828 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.389 10.517 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -13.004 10.267 -2.442 1.00 0.00 H new ATOM 0 HZ PHE A 78 -12.839 11.616 -0.388 1.00 0.00 H new ATOM 1144 N SER A 79 -15.002 7.336 0.987 1.00 0.00 N ATOM 1145 CA SER A 79 -16.225 8.106 0.798 1.00 0.00 C ATOM 1146 C SER A 79 -16.217 9.360 1.667 1.00 0.00 C ATOM 1147 O SER A 79 -16.245 9.278 2.895 1.00 0.00 O ATOM 1148 CB SER A 79 -17.449 7.250 1.131 1.00 0.00 C ATOM 1149 OG SER A 79 -17.401 6.790 2.470 1.00 0.00 O ATOM 0 H SER A 79 -14.410 7.665 1.749 1.00 0.00 H new ATOM 0 HA SER A 79 -16.276 8.409 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.357 7.833 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.497 6.398 0.452 1.00 0.00 H new ATOM 0 HG SER A 79 -16.996 7.478 3.038 1.00 0.00 H new ATOM 1155 N SER A 80 -16.179 10.520 1.020 1.00 0.00 N ATOM 1156 CA SER A 80 -16.163 11.793 1.732 1.00 0.00 C ATOM 1157 C SER A 80 -16.828 12.888 0.903 1.00 0.00 C ATOM 1158 O SER A 80 -17.212 12.665 -0.246 1.00 0.00 O ATOM 1159 CB SER A 80 -14.726 12.195 2.070 1.00 0.00 C ATOM 1160 OG SER A 80 -14.699 13.208 3.060 1.00 0.00 O ATOM 0 H SER A 80 -16.159 10.605 0.004 1.00 0.00 H new ATOM 0 HA SER A 80 -16.725 11.670 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.175 11.323 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.223 12.548 1.170 1.00 0.00 H new ATOM 0 HG SER A 80 -14.429 12.819 3.918 1.00 0.00 H new ATOM 1166 N ILE A 81 -16.962 14.070 1.495 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.579 15.200 0.811 1.00 0.00 C ATOM 1168 C ILE A 81 -16.710 16.448 0.918 1.00 0.00 C ATOM 1169 O ILE A 81 -17.016 17.483 0.324 1.00 0.00 O ATOM 1170 CB ILE A 81 -18.975 15.510 1.384 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -18.936 15.501 2.913 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -19.993 14.504 0.869 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -18.482 16.814 3.513 1.00 0.00 C ATOM 0 H ILE A 81 -16.652 14.270 2.446 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.679 14.918 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.275 16.504 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.929 15.261 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.267 14.708 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.975 14.736 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.036 14.555 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.699 13.500 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.478 16.735 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.476 17.046 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -19.164 17.608 3.209 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.624 16.344 1.677 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.709 17.464 1.859 1.00 0.00 C ATOM 1187 C ILE A 82 -13.892 17.716 0.596 1.00 0.00 C ATOM 1188 O ILE A 82 -12.804 17.166 0.427 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.748 17.220 3.038 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.535 16.853 4.297 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.889 18.451 3.283 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -13.753 15.998 5.271 1.00 0.00 C ATOM 0 H ILE A 82 -15.356 15.495 2.176 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.321 18.340 2.075 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.091 16.387 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.848 17.768 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.442 16.322 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.215 18.264 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.306 18.672 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.530 19.301 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.373 15.776 6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.462 15.066 4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.860 16.535 5.590 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.424 18.554 -0.288 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.744 18.883 -1.536 1.00 0.00 C ATOM 1206 C LEU A 83 -12.327 19.382 -1.269 1.00 0.00 C ATOM 1207 O LEU A 83 -11.995 19.769 -0.149 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.533 19.942 -2.306 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.982 19.587 -2.641 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.707 20.792 -3.221 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.034 18.415 -3.610 1.00 0.00 C ATOM 0 H LEU A 83 -15.324 19.018 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.683 17.976 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.531 20.863 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.007 20.153 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.486 19.294 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.737 20.520 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.701 21.604 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.203 21.116 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.073 18.176 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.513 18.680 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.553 17.548 -3.158 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.496 19.372 -2.306 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.126 19.828 -2.164 1.00 0.00 C ATOM 1225 C GLY A 84 -9.145 18.682 -2.020 1.00 0.00 C ATOM 1226 O GLY A 84 -9.437 17.685 -1.361 1.00 0.00 O ATOM 0 H GLY A 84 -11.747 19.056 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.854 20.428 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.051 20.478 -1.292 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.978 18.822 -2.641 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.951 17.788 -2.581 1.00 0.00 C ATOM 1232 C ASN A 85 -6.753 17.300 -1.149 1.00 0.00 C ATOM 1233 O ASN A 85 -7.042 18.018 -0.191 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.629 18.319 -3.138 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.239 19.652 -2.527 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -5.058 19.762 -1.314 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -5.107 20.671 -3.368 1.00 0.00 N ATOM 0 H ASN A 85 -7.720 19.641 -3.191 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.282 16.947 -3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.840 17.591 -2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.711 18.428 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.845 21.592 -3.016 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.267 20.533 -4.366 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.258 16.075 -1.010 1.00 0.00 N ATOM 1245 CA PHE A 86 -6.022 15.490 0.305 1.00 0.00 C ATOM 1246 C PHE A 86 -4.968 14.389 0.230 1.00 0.00 C ATOM 1247 O PHE A 86 -5.005 13.541 -0.661 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.324 14.927 0.878 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.770 13.656 0.215 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.175 12.446 0.534 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.786 13.670 -0.728 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.583 11.275 -0.076 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.199 12.502 -1.341 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.597 11.303 -1.013 1.00 0.00 C ATOM 0 H PHE A 86 -6.012 15.468 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.654 16.277 0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.193 14.745 1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.110 15.675 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.383 12.418 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.261 14.605 -0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.109 10.339 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.991 12.527 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.919 10.388 -1.489 1.00 0.00 H new ATOM 1264 N GLU A 87 -4.029 14.411 1.171 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.964 13.416 1.209 1.00 0.00 C ATOM 1266 C GLU A 87 -2.853 12.792 2.598 1.00 0.00 C ATOM 1267 O GLU A 87 -2.583 13.483 3.579 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.629 14.050 0.814 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.567 13.037 0.420 1.00 0.00 C ATOM 1270 CD GLU A 87 0.698 13.690 -0.102 1.00 0.00 C ATOM 1271 OE1 GLU A 87 0.678 14.189 -1.247 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.706 13.703 0.634 1.00 0.00 O ATOM 0 H GLU A 87 -3.984 15.106 1.916 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.209 12.630 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.793 14.734 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.259 14.646 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.322 12.419 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.970 12.372 -0.344 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.064 11.482 2.670 1.00 0.00 N ATOM 1280 CA GLU A 88 -2.988 10.765 3.938 1.00 0.00 C ATOM 1281 C GLU A 88 -2.131 9.510 3.804 1.00 0.00 C ATOM 1282 O GLU A 88 -1.898 9.021 2.699 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.391 10.390 4.421 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.307 11.586 4.617 1.00 0.00 C ATOM 1285 CD GLU A 88 -4.808 12.534 5.689 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -4.176 12.057 6.655 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -5.049 13.753 5.563 1.00 0.00 O ATOM 0 H GLU A 88 -3.289 10.896 1.866 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.523 11.424 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.845 9.710 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.309 9.848 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.400 12.126 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.304 11.235 4.883 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.666 8.994 4.937 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.834 7.797 4.945 1.00 0.00 C ATOM 1296 C GLU A 89 -1.363 6.773 5.945 1.00 0.00 C ATOM 1297 O GLU A 89 -1.794 7.127 7.043 1.00 0.00 O ATOM 1298 CB GLU A 89 0.614 8.157 5.285 1.00 0.00 C ATOM 1299 CG GLU A 89 1.295 9.007 4.226 1.00 0.00 C ATOM 1300 CD GLU A 89 0.760 10.425 4.183 1.00 0.00 C ATOM 1301 OE1 GLU A 89 1.040 11.194 5.126 1.00 0.00 O ATOM 1302 OE2 GLU A 89 0.060 10.765 3.206 1.00 0.00 O ATOM 0 H GLU A 89 -1.851 9.386 5.860 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.867 7.357 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.633 8.691 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.185 7.239 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.367 9.033 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.159 8.542 3.250 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.329 5.503 5.557 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.806 4.427 6.418 1.00 0.00 C ATOM 1311 C PHE A 90 -0.659 3.508 6.828 1.00 0.00 C ATOM 1312 O PHE A 90 0.279 3.288 6.061 1.00 0.00 O ATOM 1313 CB PHE A 90 -2.892 3.619 5.706 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.064 4.448 5.263 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.034 5.124 4.054 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.195 4.552 6.057 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.110 5.887 3.643 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.274 5.314 5.651 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.231 5.984 4.444 1.00 0.00 C ATOM 0 H PHE A 90 -0.976 5.193 4.652 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.227 4.876 7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.456 3.127 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.245 2.833 6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.159 5.054 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.234 4.032 7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.075 6.407 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.151 5.386 6.277 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.072 6.583 4.127 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.741 2.975 8.042 1.00 0.00 N ATOM 1330 CA LEU A 91 0.291 2.080 8.556 1.00 0.00 C ATOM 1331 C LEU A 91 -0.301 0.723 8.925 1.00 0.00 C ATOM 1332 O LEU A 91 -1.329 0.645 9.597 1.00 0.00 O ATOM 1333 CB LEU A 91 0.972 2.702 9.776 1.00 0.00 C ATOM 1334 CG LEU A 91 1.658 4.049 9.548 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.203 4.599 10.857 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.772 3.912 8.520 1.00 0.00 C ATOM 0 H LEU A 91 -1.511 3.147 8.689 1.00 0.00 H new ATOM 0 HA LEU A 91 1.033 1.931 7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.225 2.825 10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.715 1.998 10.151 1.00 0.00 H new ATOM 0 HG LEU A 91 0.919 4.751 9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.688 5.558 10.675 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.384 4.735 11.564 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.928 3.899 11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.250 4.880 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.511 3.195 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.355 3.563 7.576 1.00 0.00 H new ATOM 1348 N VAL A 92 0.358 -0.343 8.483 1.00 0.00 N ATOM 1349 CA VAL A 92 -0.101 -1.698 8.770 1.00 0.00 C ATOM 1350 C VAL A 92 0.706 -2.322 9.903 1.00 0.00 C ATOM 1351 O VAL A 92 1.900 -2.580 9.759 1.00 0.00 O ATOM 1352 CB VAL A 92 -0.001 -2.599 7.525 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.500 -4.001 7.840 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.779 -1.995 6.366 1.00 0.00 C ATOM 0 H VAL A 92 1.211 -0.295 7.925 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.146 -1.622 9.071 1.00 0.00 H new ATOM 0 HB VAL A 92 1.046 -2.669 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.422 -4.624 6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.105 -4.432 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.541 -3.953 8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.697 -2.645 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.828 -1.893 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.371 -1.013 6.126 1.00 0.00 H new ATOM 1364 N ASN A 93 0.044 -2.564 11.029 1.00 0.00 N ATOM 1365 CA ASN A 93 0.700 -3.159 12.188 1.00 0.00 C ATOM 1366 C ASN A 93 0.993 -4.637 11.948 1.00 0.00 C ATOM 1367 O ASN A 93 0.227 -5.333 11.281 1.00 0.00 O ATOM 1368 CB ASN A 93 -0.174 -2.997 13.434 1.00 0.00 C ATOM 1369 CG ASN A 93 -1.027 -1.744 13.382 1.00 0.00 C ATOM 1370 OD1 ASN A 93 -0.659 -0.706 13.933 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -2.174 -1.837 12.719 1.00 0.00 N ATOM 0 H ASN A 93 -0.946 -2.358 11.164 1.00 0.00 H new ATOM 0 HA ASN A 93 1.646 -2.640 12.345 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.820 -3.869 13.538 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.462 -2.964 14.319 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.791 -1.027 12.651 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.438 -2.718 12.278 1.00 0.00 H new ATOM 1378 N VAL A 94 2.107 -5.111 12.497 1.00 0.00 N ATOM 1379 CA VAL A 94 2.501 -6.506 12.344 1.00 0.00 C ATOM 1380 C VAL A 94 3.098 -7.053 13.636 1.00 0.00 C ATOM 1381 O VAL A 94 3.837 -6.359 14.333 1.00 0.00 O ATOM 1382 CB VAL A 94 3.524 -6.679 11.206 1.00 0.00 C ATOM 1383 CG1 VAL A 94 3.837 -8.151 10.988 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.008 -6.040 9.925 1.00 0.00 C ATOM 0 H VAL A 94 2.753 -4.549 13.052 1.00 0.00 H new ATOM 0 HA VAL A 94 1.598 -7.065 12.099 1.00 0.00 H new ATOM 0 HB VAL A 94 4.447 -6.175 11.491 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.562 -8.253 10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.252 -8.574 11.903 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.922 -8.682 10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.743 -6.171 9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.071 -6.514 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.840 -4.976 10.091 1.00 0.00 H new ATOM 1394 N ASN A 95 2.773 -8.303 13.949 1.00 0.00 N ATOM 1395 CA ASN A 95 3.277 -8.944 15.158 1.00 0.00 C ATOM 1396 C ASN A 95 4.799 -8.874 15.217 1.00 0.00 C ATOM 1397 O ASN A 95 5.368 -8.231 16.098 1.00 0.00 O ATOM 1398 CB ASN A 95 2.819 -10.403 15.215 1.00 0.00 C ATOM 1399 CG ASN A 95 3.582 -11.208 16.250 1.00 0.00 C ATOM 1400 OD1 ASN A 95 3.641 -10.836 17.422 1.00 0.00 O ATOM 1401 ND2 ASN A 95 4.171 -12.318 15.820 1.00 0.00 N ATOM 0 H ASN A 95 2.163 -8.892 13.382 1.00 0.00 H new ATOM 0 HA ASN A 95 2.874 -8.410 16.018 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.754 -10.438 15.444 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.949 -10.861 14.234 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.698 -12.900 16.470 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.096 -12.588 14.839 1.00 0.00 H new ATOM 1408 N GLY A 96 5.454 -9.540 14.270 1.00 0.00 N ATOM 1409 CA GLY A 96 6.905 -9.540 14.231 1.00 0.00 C ATOM 1410 C GLY A 96 7.458 -8.536 13.240 1.00 0.00 C ATOM 1411 O GLY A 96 7.884 -8.904 12.145 1.00 0.00 O ATOM 0 H GLY A 96 5.006 -10.079 13.529 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.292 -9.316 15.225 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.258 -10.537 13.969 1.00 0.00 H new ATOM 1415 N SER A 97 7.452 -7.263 13.624 1.00 0.00 N ATOM 1416 CA SER A 97 7.952 -6.201 12.758 1.00 0.00 C ATOM 1417 C SER A 97 8.188 -4.920 13.551 1.00 0.00 C ATOM 1418 O SER A 97 7.398 -4.539 14.415 1.00 0.00 O ATOM 1419 CB SER A 97 6.966 -5.935 11.619 1.00 0.00 C ATOM 1420 OG SER A 97 7.621 -5.363 10.501 1.00 0.00 O ATOM 0 H SER A 97 7.107 -6.942 14.529 1.00 0.00 H new ATOM 0 HA SER A 97 8.903 -6.527 12.336 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.485 -6.868 11.325 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.178 -5.266 11.965 1.00 0.00 H new ATOM 0 HG SER A 97 7.354 -4.425 10.410 1.00 0.00 H new ATOM 1426 N PRO A 98 9.303 -4.237 13.252 1.00 0.00 N ATOM 1427 CA PRO A 98 9.671 -2.987 13.925 1.00 0.00 C ATOM 1428 C PRO A 98 8.746 -1.834 13.551 1.00 0.00 C ATOM 1429 O PRO A 98 8.287 -1.089 14.416 1.00 0.00 O ATOM 1430 CB PRO A 98 11.092 -2.718 13.423 1.00 0.00 C ATOM 1431 CG PRO A 98 11.167 -3.416 12.109 1.00 0.00 C ATOM 1432 CD PRO A 98 10.291 -4.631 12.234 1.00 0.00 C ATOM 0 HA PRO A 98 9.597 -3.071 15.009 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.278 -1.649 13.315 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.837 -3.103 14.119 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.823 -2.768 11.303 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.194 -3.698 11.875 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.814 -4.881 11.287 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.861 -5.507 12.545 1.00 0.00 H new ATOM 1440 N GLU A 99 8.478 -1.693 12.256 1.00 0.00 N ATOM 1441 CA GLU A 99 7.608 -0.629 11.769 1.00 0.00 C ATOM 1442 C GLU A 99 6.561 -1.181 10.806 1.00 0.00 C ATOM 1443 O GLU A 99 6.814 -2.112 10.040 1.00 0.00 O ATOM 1444 CB GLU A 99 8.433 0.457 11.074 1.00 0.00 C ATOM 1445 CG GLU A 99 9.407 1.166 12.000 1.00 0.00 C ATOM 1446 CD GLU A 99 10.077 2.356 11.341 1.00 0.00 C ATOM 1447 OE1 GLU A 99 10.340 2.289 10.122 1.00 0.00 O ATOM 1448 OE2 GLU A 99 10.339 3.354 12.044 1.00 0.00 O ATOM 0 H GLU A 99 8.850 -2.301 11.527 1.00 0.00 H new ATOM 0 HA GLU A 99 7.095 -0.193 12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.988 0.008 10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.757 1.193 10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.877 1.500 12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.170 0.460 12.328 1.00 0.00 H new ATOM 1455 N PRO A 100 5.355 -0.595 10.844 1.00 0.00 N ATOM 1456 CA PRO A 100 4.244 -1.011 9.982 1.00 0.00 C ATOM 1457 C PRO A 100 4.481 -0.652 8.519 1.00 0.00 C ATOM 1458 O PRO A 100 5.333 0.178 8.202 1.00 0.00 O ATOM 1459 CB PRO A 100 3.052 -0.229 10.538 1.00 0.00 C ATOM 1460 CG PRO A 100 3.654 0.968 11.189 1.00 0.00 C ATOM 1461 CD PRO A 100 4.983 0.520 11.731 1.00 0.00 C ATOM 0 HA PRO A 100 4.103 -2.092 9.991 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.362 0.057 9.745 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.486 -0.826 11.253 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.778 1.780 10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.013 1.342 11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.721 1.322 11.700 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.906 0.199 12.770 1.00 0.00 H new ATOM 1469 N VAL A 101 3.721 -1.284 7.629 1.00 0.00 N ATOM 1470 CA VAL A 101 3.847 -1.030 6.199 1.00 0.00 C ATOM 1471 C VAL A 101 3.321 0.354 5.838 1.00 0.00 C ATOM 1472 O VAL A 101 2.115 0.600 5.869 1.00 0.00 O ATOM 1473 CB VAL A 101 3.090 -2.087 5.373 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.447 -1.969 3.899 1.00 0.00 C ATOM 1475 CG2 VAL A 101 3.390 -3.485 5.893 1.00 0.00 C ATOM 0 H VAL A 101 3.012 -1.975 7.874 1.00 0.00 H new ATOM 0 HA VAL A 101 4.909 -1.085 5.960 1.00 0.00 H new ATOM 0 HB VAL A 101 2.020 -1.907 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.903 -2.724 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.176 -0.977 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.519 -2.121 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.847 -4.219 5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.460 -3.679 5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.078 -3.560 6.935 1.00 0.00 H new ATOM 1485 N LYS A 102 4.233 1.257 5.494 1.00 0.00 N ATOM 1486 CA LYS A 102 3.863 2.618 5.125 1.00 0.00 C ATOM 1487 C LYS A 102 3.184 2.645 3.759 1.00 0.00 C ATOM 1488 O LYS A 102 3.685 2.068 2.793 1.00 0.00 O ATOM 1489 CB LYS A 102 5.100 3.519 5.109 1.00 0.00 C ATOM 1490 CG LYS A 102 4.817 4.932 4.630 1.00 0.00 C ATOM 1491 CD LYS A 102 6.021 5.838 4.823 1.00 0.00 C ATOM 1492 CE LYS A 102 6.114 6.343 6.255 1.00 0.00 C ATOM 1493 NZ LYS A 102 7.209 7.338 6.422 1.00 0.00 N ATOM 0 H LYS A 102 5.235 1.070 5.463 1.00 0.00 H new ATOM 0 HA LYS A 102 3.159 2.991 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.521 3.562 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.857 3.071 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.541 4.911 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.964 5.338 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.931 5.295 4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.953 6.685 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.165 6.796 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.283 5.501 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.240 7.658 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.118 6.899 6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.035 8.153 5.800 1.00 0.00 H new ATOM 1507 N LEU A 103 2.041 3.319 3.685 1.00 0.00 N ATOM 1508 CA LEU A 103 1.294 3.423 2.437 1.00 0.00 C ATOM 1509 C LEU A 103 0.738 4.831 2.251 1.00 0.00 C ATOM 1510 O LEU A 103 0.155 5.407 3.170 1.00 0.00 O ATOM 1511 CB LEU A 103 0.152 2.405 2.417 1.00 0.00 C ATOM 1512 CG LEU A 103 -0.793 2.479 1.217 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.215 1.718 0.034 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.165 1.935 1.584 1.00 0.00 C ATOM 0 H LEU A 103 1.612 3.801 4.475 1.00 0.00 H new ATOM 0 HA LEU A 103 1.977 3.210 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.583 1.405 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.437 2.531 3.326 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.904 3.525 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.901 1.782 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.745 2.153 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.073 0.673 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.824 1.996 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.072 0.895 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.583 2.524 2.400 1.00 0.00 H new ATOM 1526 N THR A 104 0.919 5.380 1.054 1.00 0.00 N ATOM 1527 CA THR A 104 0.435 6.720 0.746 1.00 0.00 C ATOM 1528 C THR A 104 -0.648 6.680 -0.326 1.00 0.00 C ATOM 1529 O THR A 104 -0.546 5.931 -1.297 1.00 0.00 O ATOM 1530 CB THR A 104 1.579 7.635 0.270 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.676 7.567 1.189 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.104 9.075 0.146 1.00 0.00 C ATOM 0 H THR A 104 1.398 4.917 0.281 1.00 0.00 H new ATOM 0 HA THR A 104 0.016 7.124 1.667 1.00 0.00 H new ATOM 0 HB THR A 104 1.906 7.291 -0.711 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.400 8.150 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.929 9.702 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.289 9.128 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.754 9.427 1.116 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.684 7.492 -0.144 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.785 7.551 -1.097 1.00 0.00 C ATOM 1542 C ILE A 105 -3.174 8.994 -1.399 1.00 0.00 C ATOM 1543 O ILE A 105 -3.637 9.720 -0.520 1.00 0.00 O ATOM 1544 CB ILE A 105 -4.022 6.795 -0.576 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.723 5.299 -0.464 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.214 7.036 -1.490 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.768 4.531 0.315 1.00 0.00 C ATOM 0 H ILE A 105 -1.784 8.118 0.655 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.436 7.073 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.268 7.172 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.645 4.876 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.753 5.165 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.080 6.495 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.438 8.102 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.980 6.683 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.491 3.477 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.831 4.928 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.736 4.634 -0.175 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.985 9.402 -2.650 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.317 10.759 -3.069 1.00 0.00 C ATOM 1561 C ARG A 106 -4.579 10.769 -3.928 1.00 0.00 C ATOM 1562 O ARG A 106 -4.769 9.901 -4.779 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.153 11.374 -3.847 1.00 0.00 C ATOM 1564 CG ARG A 106 -2.044 10.874 -5.278 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.826 11.454 -5.979 1.00 0.00 C ATOM 1566 NE ARG A 106 -0.486 10.711 -7.190 1.00 0.00 N ATOM 1567 CZ ARG A 106 0.652 10.873 -7.856 1.00 0.00 C ATOM 1568 NH1 ARG A 106 1.555 11.745 -7.431 1.00 0.00 N ATOM 1569 NH2 ARG A 106 0.889 10.160 -8.950 1.00 0.00 N ATOM 0 H ARG A 106 -2.604 8.813 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.502 11.354 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.267 12.458 -3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.222 11.156 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.983 9.786 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.945 11.144 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.017 12.496 -6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.024 11.444 -5.297 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.159 10.031 -7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.377 12.294 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.428 11.867 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.197 9.487 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.763 10.285 -9.461 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.437 11.757 -3.698 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.669 11.862 -4.457 1.00 0.00 C ATOM 1585 C GLY A 107 -7.281 13.247 -4.384 1.00 0.00 C ATOM 1586 O GLY A 107 -6.942 14.036 -3.501 1.00 0.00 O ATOM 0 H GLY A 107 -5.301 12.487 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.472 11.610 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.386 11.132 -4.082 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.182 13.544 -5.313 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.840 14.845 -5.351 1.00 0.00 C ATOM 1592 C CYS A 108 -10.357 14.687 -5.352 1.00 0.00 C ATOM 1593 O CYS A 108 -10.921 14.012 -6.213 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.396 15.628 -6.588 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.690 16.223 -6.511 1.00 0.00 S ATOM 0 H CYS A 108 -8.474 12.902 -6.050 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.551 15.397 -4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.509 14.993 -7.467 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.061 16.481 -6.723 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.407 16.871 -7.602 1.00 0.00 H new ATOM 1601 N VAL A 109 -11.012 15.314 -4.380 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.464 15.243 -4.268 1.00 0.00 C ATOM 1603 C VAL A 109 -13.129 16.407 -4.993 1.00 0.00 C ATOM 1604 O VAL A 109 -12.899 17.571 -4.662 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.914 15.245 -2.795 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.418 15.038 -2.695 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.167 14.179 -2.008 1.00 0.00 C ATOM 0 H VAL A 109 -10.560 15.877 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.772 14.306 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.676 16.217 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.717 15.042 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.932 15.842 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.684 14.081 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.498 14.195 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.371 13.199 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.096 14.378 -2.051 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.956 16.086 -5.983 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.656 17.106 -6.754 1.00 0.00 C ATOM 1619 C ILE A 110 -16.160 17.042 -6.513 1.00 0.00 C ATOM 1620 O ILE A 110 -16.659 16.110 -5.883 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.382 16.958 -8.262 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.835 15.581 -8.752 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.905 17.171 -8.556 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -14.775 15.425 -10.255 1.00 0.00 C ATOM 0 H ILE A 110 -14.157 15.128 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.278 18.071 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.952 17.719 -8.796 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -14.210 14.816 -8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -15.857 15.403 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.728 17.063 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.611 18.172 -8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.316 16.431 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -15.110 14.425 -10.531 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -15.422 16.167 -10.724 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.750 15.571 -10.595 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.879 18.039 -7.020 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.319 18.076 -6.850 1.00 0.00 C ATOM 1638 C GLY A 111 -19.037 18.561 -8.094 1.00 0.00 C ATOM 1639 O GLY A 111 -18.420 19.039 -9.047 1.00 0.00 O ATOM 0 H GLY A 111 -16.489 18.822 -7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.677 17.079 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.566 18.729 -6.013 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.373 18.439 -8.097 1.00 0.00 N ATOM 1644 CA PRO A 112 -21.204 18.862 -9.228 1.00 0.00 C ATOM 1645 C PRO A 112 -21.244 20.379 -9.382 1.00 0.00 C ATOM 1646 O PRO A 112 -21.349 20.897 -10.494 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.591 18.324 -8.869 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.586 18.224 -7.383 1.00 0.00 C ATOM 1649 CD PRO A 112 -21.174 17.879 -6.996 1.00 0.00 C ATOM 0 HA PRO A 112 -20.820 18.490 -10.178 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.378 18.993 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.771 17.353 -9.330 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.897 19.164 -6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.283 17.459 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.901 18.319 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -21.034 16.802 -6.904 1.00 0.00 H new TER 1657 PRO A 112