USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 809 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 93 ASN : amide:sc= -2.19! K(o=-2.1!,f=-0.19) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -145:sc= 0.091 (180deg=-0.0465) USER MOD Set 2.1: A 69 CYS SG : rot -119:sc= 0.187 USER MOD Set 2.2: A 78 GLN : amide:sc= -8.12! C(o=-7.9!,f=-8!) USER MOD Set 3.1: A 32 CYS SG : rot -115:sc= 0.17! USER MOD Set 3.2: A 35 CYS SG : rot 110:sc= 1.04 USER MOD Set 4.1: A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00357) USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 46 SER OG : rot 56:sc= -0.533 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.37) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.553 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= -0.0452 (180deg=-0.429) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -0.836 (180deg=-2.26!) USER MOD Single : A 43 HIS : no HE2:sc= -1.01 K(o=-1,f=-5.9!) USER MOD Single : A 44 SER OG : rot -155:sc= 0.936 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.152) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 51 ASN : amide:sc= -0.477 K(o=-0.48,f=-3!) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 67 SER OG : rot -34:sc= 0.424 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.325 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0887 USER MOD Single : A 76 THR OG1 : rot 80:sc= 0.643 USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.299 (180deg=-0.989) USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.171) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= 0.0117 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 1.03 (180deg=0.506) USER MOD Single : A 100 THR OG1 : rot 73:sc= -0.153! USER MOD Single : A 102 ASN : amide:sc= -2.39! C(o=-2.4!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.571 -1.399 9.101 1.00 0.61 N ATOM 2 CA MET A 1 -6.412 -1.402 10.039 1.00 0.31 C ATOM 3 C MET A 1 -5.114 -1.556 9.241 1.00 0.31 C ATOM 4 O MET A 1 -4.758 -2.644 8.834 1.00 0.41 O ATOM 5 CB MET A 1 -6.529 -2.554 11.038 1.00 0.80 C ATOM 6 CG MET A 1 -5.492 -2.364 12.150 1.00 1.48 C ATOM 7 SD MET A 1 -4.545 -3.819 12.661 1.00 2.80 S ATOM 8 CE MET A 1 -3.224 -2.936 13.528 1.00 3.92 C ATOM 0 H1 MET A 1 -8.454 -1.295 9.641 1.00 0.61 H new ATOM 0 H2 MET A 1 -7.476 -0.606 8.435 1.00 0.61 H new ATOM 0 H3 MET A 1 -7.592 -2.294 8.572 1.00 0.61 H new ATOM 0 HA MET A 1 -6.405 -0.461 10.588 1.00 0.31 H new ATOM 0 HB2 MET A 1 -7.533 -2.583 11.462 1.00 0.80 H new ATOM 0 HB3 MET A 1 -6.368 -3.507 10.533 1.00 0.80 H new ATOM 0 HG2 MET A 1 -4.786 -1.599 11.826 1.00 1.48 H new ATOM 0 HG3 MET A 1 -6.006 -1.971 13.027 1.00 1.48 H new ATOM 0 HE1 MET A 1 -2.511 -3.654 13.933 1.00 3.92 H new ATOM 0 HE2 MET A 1 -2.713 -2.271 12.832 1.00 3.92 H new ATOM 0 HE3 MET A 1 -3.651 -2.351 14.342 1.00 3.92 H new ATOM 20 N VAL A 2 -4.432 -0.461 9.038 1.00 0.23 N ATOM 21 CA VAL A 2 -3.158 -0.526 8.271 1.00 0.28 C ATOM 22 C VAL A 2 -2.285 -1.671 8.805 1.00 0.43 C ATOM 23 O VAL A 2 -2.452 -2.106 9.927 1.00 0.78 O ATOM 24 CB VAL A 2 -2.424 0.799 8.434 1.00 0.37 C ATOM 25 CG1 VAL A 2 -1.307 0.886 7.393 1.00 0.29 C ATOM 26 CG2 VAL A 2 -3.410 1.948 8.215 1.00 0.52 C ATOM 0 H VAL A 2 -4.700 0.467 9.367 1.00 0.23 H new ATOM 0 HA VAL A 2 -3.369 -0.708 7.217 1.00 0.28 H new ATOM 0 HB VAL A 2 -1.998 0.865 9.435 1.00 0.37 H new ATOM 0 HG11 VAL A 2 -0.778 1.833 7.505 1.00 0.29 H new ATOM 0 HG12 VAL A 2 -0.609 0.061 7.538 1.00 0.29 H new ATOM 0 HG13 VAL A 2 -1.736 0.826 6.393 1.00 0.29 H new ATOM 0 HG21 VAL A 2 -2.891 2.900 8.330 1.00 0.52 H new ATOM 0 HG22 VAL A 2 -3.828 1.882 7.211 1.00 0.52 H new ATOM 0 HG23 VAL A 2 -4.214 1.882 8.948 1.00 0.52 H new ATOM 36 N LYS A 3 -1.373 -2.134 7.990 1.00 0.21 N ATOM 37 CA LYS A 3 -0.486 -3.254 8.440 1.00 0.36 C ATOM 38 C LYS A 3 0.939 -3.052 7.911 1.00 0.37 C ATOM 39 O LYS A 3 1.137 -2.690 6.771 1.00 0.37 O ATOM 40 CB LYS A 3 -1.047 -4.576 7.910 1.00 0.41 C ATOM 41 CG LYS A 3 -0.190 -5.736 8.427 1.00 0.71 C ATOM 42 CD LYS A 3 -1.073 -6.702 9.219 1.00 0.59 C ATOM 43 CE LYS A 3 -0.222 -7.879 9.700 1.00 0.61 C ATOM 44 NZ LYS A 3 -1.031 -8.800 10.547 1.00 1.31 N ATOM 0 H LYS A 3 -1.203 -1.792 7.044 1.00 0.21 H new ATOM 0 HA LYS A 3 -0.454 -3.271 9.529 1.00 0.36 H new ATOM 0 HB2 LYS A 3 -2.081 -4.701 8.233 1.00 0.41 H new ATOM 0 HB3 LYS A 3 -1.052 -4.571 6.820 1.00 0.41 H new ATOM 0 HG2 LYS A 3 0.280 -6.256 7.592 1.00 0.71 H new ATOM 0 HG3 LYS A 3 0.613 -5.357 9.060 1.00 0.71 H new ATOM 0 HD2 LYS A 3 -1.521 -6.190 10.070 1.00 0.59 H new ATOM 0 HD3 LYS A 3 -1.892 -7.060 8.595 1.00 0.59 H new ATOM 0 HE2 LYS A 3 0.177 -8.421 8.842 1.00 0.61 H new ATOM 0 HE3 LYS A 3 0.632 -7.509 10.268 1.00 0.61 H new ATOM 0 HZ1 LYS A 3 -0.437 -9.592 10.864 1.00 1.31 H new ATOM 0 HZ2 LYS A 3 -1.391 -8.284 11.375 1.00 1.31 H new ATOM 0 HZ3 LYS A 3 -1.831 -9.167 9.994 1.00 1.31 H new ATOM 58 N GLN A 4 1.902 -3.295 8.757 1.00 0.40 N ATOM 59 CA GLN A 4 3.318 -3.125 8.321 1.00 0.43 C ATOM 60 C GLN A 4 3.895 -4.470 7.869 1.00 0.45 C ATOM 61 O GLN A 4 3.658 -5.489 8.487 1.00 0.58 O ATOM 62 CB GLN A 4 4.138 -2.585 9.491 1.00 0.60 C ATOM 63 CG GLN A 4 5.552 -2.255 9.005 1.00 0.55 C ATOM 64 CD GLN A 4 6.307 -1.515 10.110 1.00 1.00 C ATOM 65 OE1 GLN A 4 6.174 -0.318 10.274 1.00 0.51 O ATOM 66 NE2 GLN A 4 7.109 -2.188 10.890 1.00 2.34 N ATOM 0 H GLN A 4 1.773 -3.601 9.722 1.00 0.40 H new ATOM 0 HA GLN A 4 3.357 -2.426 7.486 1.00 0.43 H new ATOM 0 HB2 GLN A 4 3.664 -1.693 9.902 1.00 0.60 H new ATOM 0 HB3 GLN A 4 4.179 -3.322 10.293 1.00 0.60 H new ATOM 0 HG2 GLN A 4 6.080 -3.170 8.738 1.00 0.55 H new ATOM 0 HG3 GLN A 4 5.506 -1.640 8.106 1.00 0.55 H new ATOM 0 HE21 GLN A 4 7.225 -3.193 10.758 1.00 2.34 H new ATOM 0 HE22 GLN A 4 7.620 -1.709 11.632 1.00 2.34 H new ATOM 75 N ILE A 5 4.640 -4.445 6.798 1.00 0.37 N ATOM 76 CA ILE A 5 5.238 -5.715 6.292 1.00 0.42 C ATOM 77 C ILE A 5 6.565 -5.991 7.011 1.00 0.68 C ATOM 78 O ILE A 5 7.017 -5.192 7.809 1.00 0.88 O ATOM 79 CB ILE A 5 5.491 -5.582 4.782 1.00 0.19 C ATOM 80 CG1 ILE A 5 4.209 -5.077 4.087 1.00 0.39 C ATOM 81 CG2 ILE A 5 5.912 -6.948 4.197 1.00 0.31 C ATOM 82 CD1 ILE A 5 3.018 -5.974 4.451 1.00 0.59 C ATOM 0 H ILE A 5 4.860 -3.610 6.255 1.00 0.37 H new ATOM 0 HA ILE A 5 4.553 -6.541 6.483 1.00 0.42 H new ATOM 0 HB ILE A 5 6.295 -4.866 4.611 1.00 0.19 H new ATOM 0 HG12 ILE A 5 4.005 -4.049 4.388 1.00 0.39 H new ATOM 0 HG13 ILE A 5 4.351 -5.070 3.006 1.00 0.39 H new ATOM 0 HG21 ILE A 5 6.090 -6.846 3.126 1.00 0.31 H new ATOM 0 HG22 ILE A 5 6.825 -7.287 4.686 1.00 0.31 H new ATOM 0 HG23 ILE A 5 5.119 -7.676 4.365 1.00 0.31 H new ATOM 0 HD11 ILE A 5 2.120 -5.606 3.954 1.00 0.59 H new ATOM 0 HD12 ILE A 5 3.219 -6.995 4.128 1.00 0.59 H new ATOM 0 HD13 ILE A 5 2.867 -5.958 5.530 1.00 0.59 H new ATOM 94 N GLU A 6 7.156 -7.121 6.711 1.00 0.76 N ATOM 95 CA GLU A 6 8.457 -7.477 7.361 1.00 1.06 C ATOM 96 C GLU A 6 9.471 -7.915 6.301 1.00 0.66 C ATOM 97 O GLU A 6 10.542 -7.351 6.191 1.00 0.48 O ATOM 98 CB GLU A 6 8.224 -8.622 8.345 1.00 1.60 C ATOM 99 CG GLU A 6 7.329 -8.130 9.483 1.00 1.68 C ATOM 100 CD GLU A 6 8.136 -7.209 10.399 1.00 1.05 C ATOM 101 OE1 GLU A 6 8.917 -7.753 11.162 1.00 0.69 O ATOM 102 OE2 GLU A 6 7.926 -6.013 10.283 1.00 2.12 O ATOM 0 H GLU A 6 6.798 -7.809 6.049 1.00 0.76 H new ATOM 0 HA GLU A 6 8.849 -6.607 7.887 1.00 1.06 H new ATOM 0 HB2 GLU A 6 7.756 -9.465 7.837 1.00 1.60 H new ATOM 0 HB3 GLU A 6 9.175 -8.977 8.741 1.00 1.60 H new ATOM 0 HG2 GLU A 6 6.468 -7.597 9.079 1.00 1.68 H new ATOM 0 HG3 GLU A 6 6.942 -8.977 10.049 1.00 1.68 H new ATOM 109 N SER A 7 9.112 -8.915 5.544 1.00 0.63 N ATOM 110 CA SER A 7 10.042 -9.404 4.486 1.00 0.33 C ATOM 111 C SER A 7 9.247 -9.947 3.293 1.00 0.42 C ATOM 112 O SER A 7 8.050 -9.755 3.202 1.00 0.52 O ATOM 113 CB SER A 7 10.917 -10.515 5.064 1.00 0.49 C ATOM 114 OG SER A 7 9.987 -11.476 5.542 1.00 0.80 O ATOM 0 H SER A 7 8.223 -9.411 5.610 1.00 0.63 H new ATOM 0 HA SER A 7 10.667 -8.578 4.146 1.00 0.33 H new ATOM 0 HB2 SER A 7 11.575 -10.940 4.305 1.00 0.49 H new ATOM 0 HB3 SER A 7 11.554 -10.144 5.867 1.00 0.49 H new ATOM 0 HG SER A 7 10.471 -12.233 5.933 1.00 0.80 H new ATOM 120 N LYS A 8 9.930 -10.614 2.403 1.00 0.42 N ATOM 121 CA LYS A 8 9.228 -11.175 1.214 1.00 0.55 C ATOM 122 C LYS A 8 8.270 -12.279 1.645 1.00 0.60 C ATOM 123 O LYS A 8 7.091 -12.238 1.355 1.00 0.56 O ATOM 124 CB LYS A 8 10.266 -11.742 0.245 1.00 0.58 C ATOM 125 CG LYS A 8 9.552 -12.304 -0.988 1.00 0.73 C ATOM 126 CD LYS A 8 9.732 -13.825 -1.021 1.00 1.06 C ATOM 127 CE LYS A 8 11.205 -14.155 -1.278 1.00 1.89 C ATOM 128 NZ LYS A 8 11.745 -15.017 -0.188 1.00 3.07 N ATOM 0 H LYS A 8 10.933 -10.793 2.446 1.00 0.42 H new ATOM 0 HA LYS A 8 8.656 -10.387 0.724 1.00 0.55 H new ATOM 0 HB2 LYS A 8 10.968 -10.963 -0.051 1.00 0.58 H new ATOM 0 HB3 LYS A 8 10.846 -12.526 0.733 1.00 0.58 H new ATOM 0 HG2 LYS A 8 8.492 -12.051 -0.957 1.00 0.73 H new ATOM 0 HG3 LYS A 8 9.960 -11.857 -1.895 1.00 0.73 H new ATOM 0 HD2 LYS A 8 9.409 -14.261 -0.076 1.00 1.06 H new ATOM 0 HD3 LYS A 8 9.108 -14.260 -1.802 1.00 1.06 H new ATOM 0 HE2 LYS A 8 11.308 -14.664 -2.237 1.00 1.89 H new ATOM 0 HE3 LYS A 8 11.784 -13.234 -1.342 1.00 1.89 H new ATOM 0 HZ1 LYS A 8 12.765 -15.161 -0.333 1.00 3.07 H new ATOM 0 HZ2 LYS A 8 11.588 -14.555 0.730 1.00 3.07 H new ATOM 0 HZ3 LYS A 8 11.260 -15.937 -0.200 1.00 3.07 H new ATOM 142 N THR A 9 8.800 -13.238 2.331 1.00 0.69 N ATOM 143 CA THR A 9 7.947 -14.362 2.802 1.00 0.75 C ATOM 144 C THR A 9 6.705 -13.809 3.492 1.00 0.71 C ATOM 145 O THR A 9 5.635 -14.380 3.421 1.00 0.71 O ATOM 146 CB THR A 9 8.742 -15.216 3.791 1.00 0.87 C ATOM 147 OG1 THR A 9 9.801 -15.773 3.019 1.00 0.94 O ATOM 148 CG2 THR A 9 7.927 -16.409 4.284 1.00 0.87 C ATOM 0 H THR A 9 9.785 -13.298 2.589 1.00 0.69 H new ATOM 0 HA THR A 9 7.644 -14.971 1.951 1.00 0.75 H new ATOM 0 HB THR A 9 9.047 -14.611 4.644 1.00 0.87 H new ATOM 0 HG1 THR A 9 10.361 -16.338 3.591 1.00 0.94 H new ATOM 0 HG21 THR A 9 8.524 -16.993 4.985 1.00 0.87 H new ATOM 0 HG22 THR A 9 7.026 -16.053 4.784 1.00 0.87 H new ATOM 0 HG23 THR A 9 7.648 -17.035 3.436 1.00 0.87 H new ATOM 156 N ALA A 10 6.885 -12.705 4.146 1.00 0.69 N ATOM 157 CA ALA A 10 5.747 -12.072 4.858 1.00 0.65 C ATOM 158 C ALA A 10 4.808 -11.392 3.862 1.00 0.56 C ATOM 159 O ALA A 10 3.618 -11.640 3.860 1.00 0.53 O ATOM 160 CB ALA A 10 6.287 -11.033 5.830 1.00 0.70 C ATOM 0 H ALA A 10 7.774 -12.210 4.220 1.00 0.69 H new ATOM 0 HA ALA A 10 5.192 -12.839 5.397 1.00 0.65 H new ATOM 0 HB1 ALA A 10 5.457 -10.563 6.358 1.00 0.70 H new ATOM 0 HB2 ALA A 10 6.947 -11.517 6.550 1.00 0.70 H new ATOM 0 HB3 ALA A 10 6.844 -10.274 5.280 1.00 0.70 H new ATOM 166 N PHE A 11 5.365 -10.539 3.042 1.00 0.50 N ATOM 167 CA PHE A 11 4.525 -9.827 2.036 1.00 0.43 C ATOM 168 C PHE A 11 3.532 -10.800 1.399 1.00 0.39 C ATOM 169 O PHE A 11 2.455 -10.417 0.988 1.00 0.36 O ATOM 170 CB PHE A 11 5.435 -9.240 0.958 1.00 0.41 C ATOM 171 CG PHE A 11 4.581 -8.592 -0.132 1.00 0.40 C ATOM 172 CD1 PHE A 11 3.873 -7.431 0.127 1.00 0.41 C ATOM 173 CD2 PHE A 11 4.507 -9.156 -1.395 1.00 0.38 C ATOM 174 CE1 PHE A 11 3.104 -6.846 -0.857 1.00 0.40 C ATOM 175 CE2 PHE A 11 3.738 -8.569 -2.378 1.00 0.38 C ATOM 176 CZ PHE A 11 3.038 -7.415 -2.109 1.00 0.38 C ATOM 0 H PHE A 11 6.358 -10.306 3.026 1.00 0.50 H new ATOM 0 HA PHE A 11 3.968 -9.029 2.526 1.00 0.43 H new ATOM 0 HB2 PHE A 11 6.106 -8.501 1.396 1.00 0.41 H new ATOM 0 HB3 PHE A 11 6.060 -10.023 0.528 1.00 0.41 H new ATOM 0 HD1 PHE A 11 3.923 -6.980 1.107 1.00 0.41 H new ATOM 0 HD2 PHE A 11 5.055 -10.061 -1.611 1.00 0.38 H new ATOM 0 HE1 PHE A 11 2.553 -5.941 -0.645 1.00 0.40 H new ATOM 0 HE2 PHE A 11 3.685 -9.015 -3.360 1.00 0.38 H new ATOM 0 HZ PHE A 11 2.437 -6.956 -2.880 1.00 0.38 H new ATOM 186 N GLN A 12 3.921 -12.043 1.330 1.00 0.45 N ATOM 187 CA GLN A 12 3.013 -13.063 0.725 1.00 0.47 C ATOM 188 C GLN A 12 1.899 -13.431 1.704 1.00 0.45 C ATOM 189 O GLN A 12 0.741 -13.494 1.343 1.00 0.43 O ATOM 190 CB GLN A 12 3.822 -14.313 0.380 1.00 0.59 C ATOM 191 CG GLN A 12 4.600 -14.064 -0.915 1.00 0.99 C ATOM 192 CD GLN A 12 3.642 -14.146 -2.105 1.00 1.22 C ATOM 193 OE1 GLN A 12 3.163 -13.145 -2.599 1.00 2.20 O ATOM 194 NE2 GLN A 12 3.340 -15.317 -2.594 1.00 1.15 N ATOM 0 H GLN A 12 4.818 -12.396 1.662 1.00 0.45 H new ATOM 0 HA GLN A 12 2.564 -12.649 -0.178 1.00 0.47 H new ATOM 0 HB2 GLN A 12 4.509 -14.552 1.192 1.00 0.59 H new ATOM 0 HB3 GLN A 12 3.158 -15.170 0.261 1.00 0.59 H new ATOM 0 HG2 GLN A 12 5.076 -13.084 -0.884 1.00 0.99 H new ATOM 0 HG3 GLN A 12 5.395 -14.802 -1.022 1.00 0.99 H new ATOM 0 HE21 GLN A 12 3.740 -16.160 -2.182 1.00 1.15 H new ATOM 0 HE22 GLN A 12 2.704 -15.389 -3.388 1.00 1.15 H new ATOM 203 N GLU A 13 2.280 -13.664 2.920 1.00 0.47 N ATOM 204 CA GLU A 13 1.269 -14.036 3.954 1.00 0.46 C ATOM 205 C GLU A 13 0.341 -12.853 4.243 1.00 0.45 C ATOM 206 O GLU A 13 -0.810 -13.033 4.589 1.00 0.43 O ATOM 207 CB GLU A 13 1.991 -14.446 5.236 1.00 0.53 C ATOM 208 CG GLU A 13 2.679 -15.794 5.015 1.00 1.09 C ATOM 209 CD GLU A 13 1.841 -16.902 5.658 1.00 1.80 C ATOM 210 OE1 GLU A 13 0.832 -17.233 5.057 1.00 2.95 O ATOM 211 OE2 GLU A 13 2.257 -17.352 6.713 1.00 1.77 O ATOM 0 H GLU A 13 3.244 -13.615 3.250 1.00 0.47 H new ATOM 0 HA GLU A 13 0.669 -14.867 3.584 1.00 0.46 H new ATOM 0 HB2 GLU A 13 2.726 -13.690 5.512 1.00 0.53 H new ATOM 0 HB3 GLU A 13 1.282 -14.517 6.061 1.00 0.53 H new ATOM 0 HG2 GLU A 13 2.797 -15.984 3.948 1.00 1.09 H new ATOM 0 HG3 GLU A 13 3.679 -15.780 5.449 1.00 1.09 H new ATOM 218 N ALA A 14 0.861 -11.665 4.094 1.00 0.52 N ATOM 219 CA ALA A 14 0.017 -10.464 4.356 1.00 0.58 C ATOM 220 C ALA A 14 -1.135 -10.406 3.350 1.00 0.56 C ATOM 221 O ALA A 14 -2.237 -10.019 3.685 1.00 0.71 O ATOM 222 CB ALA A 14 0.877 -9.208 4.219 1.00 0.66 C ATOM 0 H ALA A 14 1.821 -11.475 3.806 1.00 0.52 H new ATOM 0 HA ALA A 14 -0.394 -10.523 5.364 1.00 0.58 H new ATOM 0 HB1 ALA A 14 0.266 -8.326 4.409 1.00 0.66 H new ATOM 0 HB2 ALA A 14 1.694 -9.246 4.940 1.00 0.66 H new ATOM 0 HB3 ALA A 14 1.286 -9.155 3.210 1.00 0.66 H new ATOM 228 N LEU A 15 -0.854 -10.796 2.137 1.00 0.42 N ATOM 229 CA LEU A 15 -1.920 -10.777 1.096 1.00 0.44 C ATOM 230 C LEU A 15 -2.892 -11.934 1.322 1.00 0.49 C ATOM 231 O LEU A 15 -3.985 -11.947 0.792 1.00 0.66 O ATOM 232 CB LEU A 15 -1.276 -10.915 -0.287 1.00 0.31 C ATOM 233 CG LEU A 15 -0.394 -9.691 -0.571 1.00 0.35 C ATOM 234 CD1 LEU A 15 0.312 -9.887 -1.914 1.00 0.30 C ATOM 235 CD2 LEU A 15 -1.261 -8.427 -0.642 1.00 0.42 C ATOM 0 H LEU A 15 0.059 -11.124 1.823 1.00 0.42 H new ATOM 0 HA LEU A 15 -2.467 -9.836 1.158 1.00 0.44 H new ATOM 0 HB2 LEU A 15 -0.677 -11.825 -0.331 1.00 0.31 H new ATOM 0 HB3 LEU A 15 -2.048 -11.004 -1.051 1.00 0.31 H new ATOM 0 HG LEU A 15 0.339 -9.581 0.228 1.00 0.35 H new ATOM 0 HD11 LEU A 15 0.941 -9.022 -2.124 1.00 0.30 H new ATOM 0 HD12 LEU A 15 0.930 -10.784 -1.873 1.00 0.30 H new ATOM 0 HD13 LEU A 15 -0.432 -9.995 -2.704 1.00 0.30 H new ATOM 0 HD21 LEU A 15 -0.628 -7.563 -0.844 1.00 0.42 H new ATOM 0 HD22 LEU A 15 -1.995 -8.534 -1.441 1.00 0.42 H new ATOM 0 HD23 LEU A 15 -1.776 -8.285 0.308 1.00 0.42 H new ATOM 247 N ASP A 16 -2.472 -12.883 2.108 1.00 0.40 N ATOM 248 CA ASP A 16 -3.356 -14.052 2.386 1.00 0.48 C ATOM 249 C ASP A 16 -4.133 -13.830 3.684 1.00 0.57 C ATOM 250 O ASP A 16 -5.121 -14.487 3.943 1.00 0.67 O ATOM 251 CB ASP A 16 -2.501 -15.312 2.509 1.00 0.42 C ATOM 252 CG ASP A 16 -3.397 -16.545 2.373 1.00 0.60 C ATOM 253 OD1 ASP A 16 -3.569 -16.968 1.241 1.00 1.05 O ATOM 254 OD2 ASP A 16 -3.859 -16.995 3.409 1.00 1.09 O ATOM 0 H ASP A 16 -1.562 -12.903 2.568 1.00 0.40 H new ATOM 0 HA ASP A 16 -4.066 -14.167 1.567 1.00 0.48 H new ATOM 0 HB2 ASP A 16 -1.732 -15.320 1.737 1.00 0.42 H new ATOM 0 HB3 ASP A 16 -1.988 -15.325 3.471 1.00 0.42 H new ATOM 259 N ALA A 17 -3.666 -12.905 4.474 1.00 0.60 N ATOM 260 CA ALA A 17 -4.364 -12.618 5.761 1.00 0.76 C ATOM 261 C ALA A 17 -5.324 -11.440 5.583 1.00 0.79 C ATOM 262 O ALA A 17 -6.113 -11.138 6.456 1.00 0.84 O ATOM 263 CB ALA A 17 -3.325 -12.275 6.828 1.00 0.86 C ATOM 0 H ALA A 17 -2.838 -12.338 4.288 1.00 0.60 H new ATOM 0 HA ALA A 17 -4.933 -13.495 6.068 1.00 0.76 H new ATOM 0 HB1 ALA A 17 -3.828 -12.064 7.772 1.00 0.86 H new ATOM 0 HB2 ALA A 17 -2.646 -13.118 6.959 1.00 0.86 H new ATOM 0 HB3 ALA A 17 -2.758 -11.398 6.515 1.00 0.86 H new ATOM 269 N ALA A 18 -5.234 -10.798 4.450 1.00 0.78 N ATOM 270 CA ALA A 18 -6.133 -9.636 4.187 1.00 0.81 C ATOM 271 C ALA A 18 -7.503 -10.127 3.718 1.00 0.89 C ATOM 272 O ALA A 18 -8.313 -9.356 3.243 1.00 0.86 O ATOM 273 CB ALA A 18 -5.508 -8.761 3.101 1.00 0.66 C ATOM 0 H ALA A 18 -4.582 -11.025 3.699 1.00 0.78 H new ATOM 0 HA ALA A 18 -6.259 -9.061 5.104 1.00 0.81 H new ATOM 0 HB1 ALA A 18 -6.158 -7.909 2.902 1.00 0.66 H new ATOM 0 HB2 ALA A 18 -4.534 -8.404 3.437 1.00 0.66 H new ATOM 0 HB3 ALA A 18 -5.385 -9.345 2.189 1.00 0.66 H new ATOM 279 N GLY A 19 -7.737 -11.403 3.861 1.00 1.05 N ATOM 280 CA GLY A 19 -9.046 -11.956 3.424 1.00 1.22 C ATOM 281 C GLY A 19 -9.145 -11.926 1.901 1.00 1.08 C ATOM 282 O GLY A 19 -8.591 -12.766 1.221 1.00 1.08 O ATOM 0 H GLY A 19 -7.084 -12.079 4.258 1.00 1.05 H new ATOM 0 HA2 GLY A 19 -9.156 -12.979 3.783 1.00 1.22 H new ATOM 0 HA3 GLY A 19 -9.859 -11.376 3.861 1.00 1.22 H new ATOM 286 N ASP A 20 -9.850 -10.957 1.400 1.00 1.10 N ATOM 287 CA ASP A 20 -9.997 -10.849 -0.083 1.00 0.97 C ATOM 288 C ASP A 20 -10.305 -9.402 -0.489 1.00 0.78 C ATOM 289 O ASP A 20 -9.949 -8.974 -1.569 1.00 0.74 O ATOM 290 CB ASP A 20 -11.136 -11.759 -0.540 1.00 1.18 C ATOM 291 CG ASP A 20 -11.894 -12.274 0.684 1.00 2.30 C ATOM 292 OD1 ASP A 20 -12.622 -11.473 1.247 1.00 3.18 O ATOM 293 OD2 ASP A 20 -11.703 -13.440 0.987 1.00 2.55 O ATOM 0 H ASP A 20 -10.329 -10.238 1.942 1.00 1.10 H new ATOM 0 HA ASP A 20 -9.063 -11.152 -0.555 1.00 0.97 H new ATOM 0 HB2 ASP A 20 -11.812 -11.212 -1.197 1.00 1.18 H new ATOM 0 HB3 ASP A 20 -10.740 -12.596 -1.115 1.00 1.18 H new ATOM 298 N LYS A 21 -10.964 -8.682 0.383 1.00 0.70 N ATOM 299 CA LYS A 21 -11.299 -7.261 0.063 1.00 0.54 C ATOM 300 C LYS A 21 -10.101 -6.566 -0.591 1.00 0.45 C ATOM 301 O LYS A 21 -8.984 -7.031 -0.493 1.00 0.54 O ATOM 302 CB LYS A 21 -11.663 -6.530 1.355 1.00 0.62 C ATOM 303 CG LYS A 21 -12.827 -7.254 2.033 1.00 0.71 C ATOM 304 CD LYS A 21 -12.454 -7.551 3.487 1.00 0.69 C ATOM 305 CE LYS A 21 -13.668 -8.142 4.206 1.00 0.81 C ATOM 306 NZ LYS A 21 -13.434 -8.186 5.676 1.00 1.51 N ATOM 0 H LYS A 21 -11.282 -9.012 1.294 1.00 0.70 H new ATOM 0 HA LYS A 21 -12.140 -7.240 -0.630 1.00 0.54 H new ATOM 0 HB2 LYS A 21 -10.802 -6.496 2.023 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -11.938 -5.498 1.138 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.726 -6.639 1.994 1.00 0.71 H new ATOM 0 HG3 LYS A 21 -13.051 -8.181 1.506 1.00 0.71 H new ATOM 0 HD2 LYS A 21 -11.618 -8.249 3.525 1.00 0.69 H new ATOM 0 HD3 LYS A 21 -12.130 -6.638 3.986 1.00 0.69 H new ATOM 0 HE2 LYS A 21 -14.553 -7.543 3.991 1.00 0.81 H new ATOM 0 HE3 LYS A 21 -13.865 -9.147 3.833 1.00 0.81 H new ATOM 0 HZ1 LYS A 21 -14.268 -8.590 6.148 1.00 1.51 H new ATOM 0 HZ2 LYS A 21 -12.602 -8.777 5.878 1.00 1.51 H new ATOM 0 HZ3 LYS A 21 -13.268 -7.222 6.030 1.00 1.51 H new ATOM 320 N LEU A 22 -10.362 -5.468 -1.250 1.00 0.28 N ATOM 321 CA LEU A 22 -9.251 -4.725 -1.918 1.00 0.19 C ATOM 322 C LEU A 22 -8.035 -4.648 -0.993 1.00 0.15 C ATOM 323 O LEU A 22 -8.174 -4.563 0.212 1.00 0.15 O ATOM 324 CB LEU A 22 -9.726 -3.306 -2.247 1.00 0.19 C ATOM 325 CG LEU A 22 -10.065 -3.198 -3.740 1.00 0.37 C ATOM 326 CD1 LEU A 22 -11.282 -4.076 -4.052 1.00 1.91 C ATOM 327 CD2 LEU A 22 -10.403 -1.741 -4.064 1.00 1.26 C ATOM 0 H LEU A 22 -11.289 -5.055 -1.355 1.00 0.28 H new ATOM 0 HA LEU A 22 -8.969 -5.248 -2.832 1.00 0.19 H new ATOM 0 HB2 LEU A 22 -10.603 -3.059 -1.648 1.00 0.19 H new ATOM 0 HB3 LEU A 22 -8.950 -2.585 -1.989 1.00 0.19 H new ATOM 0 HG LEU A 22 -9.215 -3.529 -4.337 1.00 0.37 H new ATOM 0 HD11 LEU A 22 -11.523 -4.000 -5.112 1.00 1.91 H new ATOM 0 HD12 LEU A 22 -11.055 -5.113 -3.805 1.00 1.91 H new ATOM 0 HD13 LEU A 22 -12.134 -3.740 -3.461 1.00 1.91 H new ATOM 0 HD21 LEU A 22 -10.646 -1.651 -5.123 1.00 1.26 H new ATOM 0 HD22 LEU A 22 -11.258 -1.425 -3.467 1.00 1.26 H new ATOM 0 HD23 LEU A 22 -9.546 -1.109 -3.833 1.00 1.26 H new ATOM 339 N VAL A 23 -6.867 -4.681 -1.584 1.00 0.20 N ATOM 340 CA VAL A 23 -5.619 -4.608 -0.767 1.00 0.17 C ATOM 341 C VAL A 23 -4.671 -3.573 -1.386 1.00 0.19 C ATOM 342 O VAL A 23 -3.911 -3.882 -2.282 1.00 0.21 O ATOM 343 CB VAL A 23 -4.951 -6.002 -0.765 1.00 0.16 C ATOM 344 CG1 VAL A 23 -3.867 -6.079 0.321 1.00 0.32 C ATOM 345 CG2 VAL A 23 -6.013 -7.073 -0.488 1.00 0.23 C ATOM 0 H VAL A 23 -6.725 -4.755 -2.591 1.00 0.20 H new ATOM 0 HA VAL A 23 -5.850 -4.311 0.256 1.00 0.17 H new ATOM 0 HB VAL A 23 -4.491 -6.170 -1.739 1.00 0.16 H new ATOM 0 HG11 VAL A 23 -3.408 -7.067 0.307 1.00 0.32 H new ATOM 0 HG12 VAL A 23 -3.106 -5.323 0.130 1.00 0.32 H new ATOM 0 HG13 VAL A 23 -4.317 -5.902 1.298 1.00 0.32 H new ATOM 0 HG21 VAL A 23 -5.545 -8.057 -0.486 1.00 0.23 H new ATOM 0 HG22 VAL A 23 -6.472 -6.887 0.483 1.00 0.23 H new ATOM 0 HG23 VAL A 23 -6.778 -7.036 -1.264 1.00 0.23 H new ATOM 355 N VAL A 24 -4.738 -2.363 -0.890 1.00 0.19 N ATOM 356 CA VAL A 24 -3.860 -1.288 -1.456 1.00 0.21 C ATOM 357 C VAL A 24 -2.608 -1.094 -0.595 1.00 0.26 C ATOM 358 O VAL A 24 -2.696 -0.927 0.606 1.00 0.38 O ATOM 359 CB VAL A 24 -4.643 0.016 -1.514 1.00 0.20 C ATOM 360 CG1 VAL A 24 -3.744 1.106 -2.087 1.00 0.20 C ATOM 361 CG2 VAL A 24 -5.857 -0.167 -2.427 1.00 0.17 C ATOM 0 H VAL A 24 -5.352 -2.073 -0.129 1.00 0.19 H new ATOM 0 HA VAL A 24 -3.546 -1.584 -2.457 1.00 0.21 H new ATOM 0 HB VAL A 24 -4.975 0.296 -0.514 1.00 0.20 H new ATOM 0 HG11 VAL A 24 -4.295 2.045 -2.133 1.00 0.20 H new ATOM 0 HG12 VAL A 24 -2.869 1.229 -1.448 1.00 0.20 H new ATOM 0 HG13 VAL A 24 -3.424 0.824 -3.090 1.00 0.20 H new ATOM 0 HG21 VAL A 24 -6.422 0.764 -2.472 1.00 0.17 H new ATOM 0 HG22 VAL A 24 -5.522 -0.437 -3.428 1.00 0.17 H new ATOM 0 HG23 VAL A 24 -6.494 -0.959 -2.032 1.00 0.17 H new ATOM 371 N VAL A 25 -1.469 -1.102 -1.238 1.00 0.18 N ATOM 372 CA VAL A 25 -0.193 -0.939 -0.491 1.00 0.20 C ATOM 373 C VAL A 25 0.344 0.481 -0.637 1.00 0.26 C ATOM 374 O VAL A 25 0.008 1.181 -1.569 1.00 0.45 O ATOM 375 CB VAL A 25 0.819 -1.908 -1.080 1.00 0.23 C ATOM 376 CG1 VAL A 25 1.720 -2.472 0.020 1.00 0.68 C ATOM 377 CG2 VAL A 25 0.072 -3.050 -1.749 1.00 0.89 C ATOM 0 H VAL A 25 -1.371 -1.214 -2.247 1.00 0.18 H new ATOM 0 HA VAL A 25 -0.365 -1.136 0.567 1.00 0.20 H new ATOM 0 HB VAL A 25 1.438 -1.382 -1.806 1.00 0.23 H new ATOM 0 HG11 VAL A 25 2.439 -3.164 -0.418 1.00 0.68 H new ATOM 0 HG12 VAL A 25 2.253 -1.656 0.508 1.00 0.68 H new ATOM 0 HG13 VAL A 25 1.111 -2.998 0.755 1.00 0.68 H new ATOM 0 HG21 VAL A 25 0.788 -3.752 -2.176 1.00 0.89 H new ATOM 0 HG22 VAL A 25 -0.544 -3.563 -1.011 1.00 0.89 H new ATOM 0 HG23 VAL A 25 -0.564 -2.654 -2.541 1.00 0.89 H new ATOM 387 N ASP A 26 1.175 0.867 0.296 1.00 0.15 N ATOM 388 CA ASP A 26 1.778 2.231 0.243 1.00 0.18 C ATOM 389 C ASP A 26 3.300 2.111 0.321 1.00 0.19 C ATOM 390 O ASP A 26 3.882 2.188 1.387 1.00 0.21 O ATOM 391 CB ASP A 26 1.269 3.052 1.424 1.00 0.19 C ATOM 392 CG ASP A 26 1.997 4.397 1.457 1.00 0.28 C ATOM 393 OD1 ASP A 26 2.225 4.916 0.377 1.00 0.89 O ATOM 394 OD2 ASP A 26 2.285 4.829 2.561 1.00 1.50 O ATOM 0 H ASP A 26 1.462 0.297 1.092 1.00 0.15 H new ATOM 0 HA ASP A 26 1.499 2.723 -0.689 1.00 0.18 H new ATOM 0 HB2 ASP A 26 0.194 3.210 1.336 1.00 0.19 H new ATOM 0 HB3 ASP A 26 1.436 2.512 2.356 1.00 0.19 H new ATOM 399 N PHE A 27 3.908 1.912 -0.811 1.00 0.18 N ATOM 400 CA PHE A 27 5.390 1.776 -0.838 1.00 0.17 C ATOM 401 C PHE A 27 6.054 3.138 -0.623 1.00 0.21 C ATOM 402 O PHE A 27 6.208 3.911 -1.547 1.00 0.24 O ATOM 403 CB PHE A 27 5.795 1.206 -2.189 1.00 0.18 C ATOM 404 CG PHE A 27 5.469 -0.285 -2.210 1.00 0.17 C ATOM 405 CD1 PHE A 27 6.377 -1.200 -1.717 1.00 0.15 C ATOM 406 CD2 PHE A 27 4.261 -0.740 -2.721 1.00 0.21 C ATOM 407 CE1 PHE A 27 6.091 -2.549 -1.734 1.00 0.15 C ATOM 408 CE2 PHE A 27 3.980 -2.093 -2.733 1.00 0.19 C ATOM 409 CZ PHE A 27 4.895 -2.994 -2.241 1.00 0.15 C ATOM 0 H PHE A 27 3.446 1.838 -1.717 1.00 0.18 H new ATOM 0 HA PHE A 27 5.714 1.111 -0.038 1.00 0.17 H new ATOM 0 HB2 PHE A 27 5.264 1.720 -2.990 1.00 0.18 H new ATOM 0 HB3 PHE A 27 6.860 1.362 -2.361 1.00 0.18 H new ATOM 0 HD1 PHE A 27 7.319 -0.857 -1.315 1.00 0.15 H new ATOM 0 HD2 PHE A 27 3.540 -0.036 -3.110 1.00 0.21 H new ATOM 0 HE1 PHE A 27 6.809 -3.257 -1.348 1.00 0.15 H new ATOM 0 HE2 PHE A 27 3.039 -2.444 -3.130 1.00 0.19 H new ATOM 0 HZ PHE A 27 4.673 -4.051 -2.253 1.00 0.15 H new ATOM 419 N SER A 28 6.434 3.399 0.597 1.00 0.21 N ATOM 420 CA SER A 28 7.090 4.704 0.898 1.00 0.25 C ATOM 421 C SER A 28 8.175 4.512 1.963 1.00 0.24 C ATOM 422 O SER A 28 8.399 3.414 2.430 1.00 0.23 O ATOM 423 CB SER A 28 6.038 5.685 1.413 1.00 0.30 C ATOM 424 OG SER A 28 6.373 5.865 2.780 1.00 1.01 O ATOM 0 H SER A 28 6.320 2.772 1.393 1.00 0.21 H new ATOM 0 HA SER A 28 7.550 5.096 -0.009 1.00 0.25 H new ATOM 0 HB2 SER A 28 6.071 6.628 0.867 1.00 0.30 H new ATOM 0 HB3 SER A 28 5.030 5.285 1.299 1.00 0.30 H new ATOM 0 HG SER A 28 5.741 6.490 3.192 1.00 1.01 H new ATOM 430 N ALA A 29 8.821 5.589 2.323 1.00 0.25 N ATOM 431 CA ALA A 29 9.896 5.491 3.357 1.00 0.27 C ATOM 432 C ALA A 29 9.366 5.957 4.719 1.00 0.31 C ATOM 433 O ALA A 29 8.664 6.945 4.810 1.00 0.32 O ATOM 434 CB ALA A 29 11.068 6.376 2.940 1.00 0.29 C ATOM 0 H ALA A 29 8.654 6.524 1.951 1.00 0.25 H new ATOM 0 HA ALA A 29 10.221 4.454 3.441 1.00 0.27 H new ATOM 0 HB1 ALA A 29 11.857 6.311 3.689 1.00 0.29 H new ATOM 0 HB2 ALA A 29 11.453 6.040 1.977 1.00 0.29 H new ATOM 0 HB3 ALA A 29 10.732 7.409 2.856 1.00 0.29 H new ATOM 440 N THR A 30 9.714 5.233 5.750 1.00 0.35 N ATOM 441 CA THR A 30 9.239 5.622 7.111 1.00 0.40 C ATOM 442 C THR A 30 10.192 6.655 7.721 1.00 0.30 C ATOM 443 O THR A 30 9.768 7.606 8.348 1.00 0.20 O ATOM 444 CB THR A 30 9.193 4.376 8.003 1.00 0.53 C ATOM 445 OG1 THR A 30 8.455 4.779 9.153 1.00 0.55 O ATOM 446 CG2 THR A 30 10.579 4.003 8.524 1.00 0.57 C ATOM 0 H THR A 30 10.300 4.399 5.711 1.00 0.35 H new ATOM 0 HA THR A 30 8.243 6.059 7.036 1.00 0.40 H new ATOM 0 HB THR A 30 8.779 3.537 7.444 1.00 0.53 H new ATOM 0 HG1 THR A 30 8.382 4.026 9.775 1.00 0.55 H new ATOM 0 HG21 THR A 30 10.505 3.115 9.152 1.00 0.57 H new ATOM 0 HG22 THR A 30 11.241 3.798 7.683 1.00 0.57 H new ATOM 0 HG23 THR A 30 10.982 4.829 9.110 1.00 0.57 H new ATOM 454 N TRP A 31 11.458 6.440 7.519 1.00 0.37 N ATOM 455 CA TRP A 31 12.470 7.389 8.067 1.00 0.30 C ATOM 456 C TRP A 31 12.296 8.771 7.432 1.00 0.19 C ATOM 457 O TRP A 31 12.276 9.774 8.117 1.00 0.14 O ATOM 458 CB TRP A 31 13.855 6.857 7.726 1.00 0.32 C ATOM 459 CG TRP A 31 13.924 6.638 6.212 1.00 0.28 C ATOM 460 CD1 TRP A 31 13.498 5.536 5.606 1.00 0.31 C ATOM 461 CD2 TRP A 31 14.370 7.520 5.329 1.00 0.22 C ATOM 462 NE1 TRP A 31 13.707 5.785 4.306 1.00 0.25 N ATOM 463 CE2 TRP A 31 14.254 7.018 4.045 1.00 0.20 C ATOM 464 CE3 TRP A 31 14.888 8.798 5.513 1.00 0.19 C ATOM 465 CZ2 TRP A 31 14.647 7.773 2.964 1.00 0.13 C ATOM 466 CZ3 TRP A 31 15.280 9.549 4.423 1.00 0.14 C ATOM 467 CH2 TRP A 31 15.161 9.036 3.151 1.00 0.11 C ATOM 0 H TRP A 31 11.839 5.650 6.999 1.00 0.37 H new ATOM 0 HA TRP A 31 12.344 7.478 9.146 1.00 0.30 H new ATOM 0 HB2 TRP A 31 14.622 7.563 8.043 1.00 0.32 H new ATOM 0 HB3 TRP A 31 14.044 5.922 8.254 1.00 0.32 H new ATOM 0 HD1 TRP A 31 13.081 4.647 6.056 1.00 0.31 H new ATOM 0 HE1 TRP A 31 13.479 5.115 3.571 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.984 9.203 6.510 1.00 0.19 H new ATOM 0 HZ2 TRP A 31 14.552 7.373 1.965 1.00 0.13 H new ATOM 0 HZ3 TRP A 31 15.681 10.541 4.568 1.00 0.14 H new ATOM 0 HH2 TRP A 31 15.471 9.624 2.300 1.00 0.11 H new ATOM 478 N CYS A 32 12.178 8.789 6.132 1.00 0.18 N ATOM 479 CA CYS A 32 12.018 10.091 5.429 1.00 0.13 C ATOM 480 C CYS A 32 10.857 10.885 6.035 1.00 0.19 C ATOM 481 O CYS A 32 10.048 10.348 6.765 1.00 0.23 O ATOM 482 CB CYS A 32 11.743 9.832 3.953 1.00 0.18 C ATOM 483 SG CYS A 32 11.399 11.272 2.911 1.00 0.19 S ATOM 0 H CYS A 32 12.185 7.965 5.531 1.00 0.18 H new ATOM 0 HA CYS A 32 12.934 10.671 5.540 1.00 0.13 H new ATOM 0 HB2 CYS A 32 12.604 9.311 3.535 1.00 0.18 H new ATOM 0 HB3 CYS A 32 10.894 9.153 3.882 1.00 0.18 H new ATOM 0 HG CYS A 32 10.177 11.209 2.473 1.00 0.19 H new ATOM 489 N GLY A 33 10.807 12.150 5.716 1.00 0.22 N ATOM 490 CA GLY A 33 9.715 13.014 6.262 1.00 0.29 C ATOM 491 C GLY A 33 8.617 13.268 5.208 1.00 0.25 C ATOM 492 O GLY A 33 7.510 12.786 5.336 1.00 0.31 O ATOM 0 H GLY A 33 11.471 12.623 5.104 1.00 0.22 H new ATOM 0 HA2 GLY A 33 9.276 12.538 7.139 1.00 0.29 H new ATOM 0 HA3 GLY A 33 10.132 13.966 6.591 1.00 0.29 H new ATOM 496 N PRO A 34 8.957 14.027 4.182 1.00 0.18 N ATOM 497 CA PRO A 34 8.001 14.358 3.114 1.00 0.14 C ATOM 498 C PRO A 34 7.291 13.104 2.592 1.00 0.15 C ATOM 499 O PRO A 34 6.332 13.196 1.852 1.00 0.46 O ATOM 500 CB PRO A 34 8.843 15.008 2.011 1.00 0.07 C ATOM 501 CG PRO A 34 10.268 15.244 2.601 1.00 0.15 C ATOM 502 CD PRO A 34 10.304 14.588 3.995 1.00 0.19 C ATOM 0 HA PRO A 34 7.213 15.021 3.472 1.00 0.14 H new ATOM 0 HB2 PRO A 34 8.891 14.364 1.133 1.00 0.07 H new ATOM 0 HB3 PRO A 34 8.398 15.950 1.691 1.00 0.07 H new ATOM 0 HG2 PRO A 34 11.029 14.809 1.953 1.00 0.15 H new ATOM 0 HG3 PRO A 34 10.482 16.310 2.673 1.00 0.15 H new ATOM 0 HD2 PRO A 34 11.067 13.811 4.047 1.00 0.19 H new ATOM 0 HD3 PRO A 34 10.539 15.318 4.770 1.00 0.19 H new ATOM 510 N CYS A 35 7.775 11.961 2.987 1.00 0.29 N ATOM 511 CA CYS A 35 7.122 10.702 2.528 1.00 0.24 C ATOM 512 C CYS A 35 6.026 10.304 3.516 1.00 0.25 C ATOM 513 O CYS A 35 4.987 9.811 3.127 1.00 0.25 O ATOM 514 CB CYS A 35 8.163 9.589 2.446 1.00 0.25 C ATOM 515 SG CYS A 35 9.445 9.741 1.176 1.00 0.24 S ATOM 0 H CYS A 35 8.582 11.842 3.599 1.00 0.29 H new ATOM 0 HA CYS A 35 6.682 10.861 1.544 1.00 0.24 H new ATOM 0 HB2 CYS A 35 8.656 9.516 3.415 1.00 0.25 H new ATOM 0 HB3 CYS A 35 7.638 8.648 2.284 1.00 0.25 H new ATOM 0 HG CYS A 35 10.588 9.994 1.741 1.00 0.24 H new ATOM 521 N LYS A 36 6.283 10.526 4.778 1.00 0.30 N ATOM 522 CA LYS A 36 5.263 10.172 5.797 1.00 0.34 C ATOM 523 C LYS A 36 4.299 11.341 6.009 1.00 0.36 C ATOM 524 O LYS A 36 3.169 11.145 6.403 1.00 0.72 O ATOM 525 CB LYS A 36 5.950 9.834 7.117 1.00 0.41 C ATOM 526 CG LYS A 36 4.929 9.149 8.023 1.00 0.53 C ATOM 527 CD LYS A 36 5.511 8.960 9.430 1.00 0.39 C ATOM 528 CE LYS A 36 5.721 10.326 10.103 1.00 1.25 C ATOM 529 NZ LYS A 36 7.164 10.692 10.102 1.00 1.45 N ATOM 0 H LYS A 36 7.146 10.932 5.140 1.00 0.30 H new ATOM 0 HA LYS A 36 4.701 9.307 5.446 1.00 0.34 H new ATOM 0 HB2 LYS A 36 6.805 9.180 6.944 1.00 0.41 H new ATOM 0 HB3 LYS A 36 6.332 10.739 7.590 1.00 0.41 H new ATOM 0 HG2 LYS A 36 4.019 9.747 8.075 1.00 0.53 H new ATOM 0 HG3 LYS A 36 4.651 8.182 7.604 1.00 0.53 H new ATOM 0 HD2 LYS A 36 4.838 8.349 10.031 1.00 0.39 H new ATOM 0 HD3 LYS A 36 6.459 8.425 9.371 1.00 0.39 H new ATOM 0 HE2 LYS A 36 5.146 11.089 9.578 1.00 1.25 H new ATOM 0 HE3 LYS A 36 5.349 10.295 11.127 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 7.260 11.727 10.083 1.00 1.45 H new ATOM 0 HZ2 LYS A 36 7.618 10.318 10.960 1.00 1.45 H new ATOM 0 HZ3 LYS A 36 7.624 10.286 9.262 1.00 1.45 H new ATOM 543 N MET A 37 4.768 12.536 5.745 1.00 0.43 N ATOM 544 CA MET A 37 3.880 13.725 5.924 1.00 0.42 C ATOM 545 C MET A 37 2.490 13.416 5.372 1.00 0.51 C ATOM 546 O MET A 37 1.508 14.010 5.774 1.00 0.54 O ATOM 547 CB MET A 37 4.473 14.916 5.174 1.00 0.36 C ATOM 548 CG MET A 37 5.074 15.896 6.184 1.00 1.21 C ATOM 549 SD MET A 37 6.239 15.228 7.399 1.00 3.38 S ATOM 550 CE MET A 37 6.630 16.793 8.222 1.00 3.82 C ATOM 0 H MET A 37 5.713 12.738 5.418 1.00 0.43 H new ATOM 0 HA MET A 37 3.801 13.963 6.985 1.00 0.42 H new ATOM 0 HB2 MET A 37 5.240 14.577 4.477 1.00 0.36 H new ATOM 0 HB3 MET A 37 3.701 15.410 4.584 1.00 0.36 H new ATOM 0 HG2 MET A 37 5.582 16.684 5.628 1.00 1.21 H new ATOM 0 HG3 MET A 37 4.254 16.366 6.726 1.00 1.21 H new ATOM 0 HE1 MET A 37 7.347 16.614 9.023 1.00 3.82 H new ATOM 0 HE2 MET A 37 7.060 17.487 7.499 1.00 3.82 H new ATOM 0 HE3 MET A 37 5.719 17.222 8.639 1.00 3.82 H new ATOM 560 N ILE A 38 2.442 12.488 4.460 1.00 0.54 N ATOM 561 CA ILE A 38 1.127 12.106 3.870 1.00 0.62 C ATOM 562 C ILE A 38 0.546 10.911 4.632 1.00 0.68 C ATOM 563 O ILE A 38 0.015 9.991 4.044 1.00 0.72 O ATOM 564 CB ILE A 38 1.321 11.718 2.397 1.00 0.66 C ATOM 565 CG1 ILE A 38 2.237 12.742 1.682 1.00 0.71 C ATOM 566 CG2 ILE A 38 -0.044 11.648 1.695 1.00 0.75 C ATOM 567 CD1 ILE A 38 1.585 14.136 1.642 1.00 1.15 C ATOM 0 H ILE A 38 3.249 11.980 4.098 1.00 0.54 H new ATOM 0 HA ILE A 38 0.443 12.951 3.942 1.00 0.62 H new ATOM 0 HB ILE A 38 1.798 10.739 2.351 1.00 0.66 H new ATOM 0 HG12 ILE A 38 3.195 12.800 2.198 1.00 0.71 H new ATOM 0 HG13 ILE A 38 2.442 12.404 0.666 1.00 0.71 H new ATOM 0 HG21 ILE A 38 0.098 11.372 0.650 1.00 0.75 H new ATOM 0 HG22 ILE A 38 -0.668 10.901 2.186 1.00 0.75 H new ATOM 0 HG23 ILE A 38 -0.532 12.621 1.751 1.00 0.75 H new ATOM 0 HD11 ILE A 38 2.250 14.834 1.134 1.00 1.15 H new ATOM 0 HD12 ILE A 38 0.639 14.080 1.104 1.00 1.15 H new ATOM 0 HD13 ILE A 38 1.404 14.482 2.660 1.00 1.15 H new ATOM 579 N LYS A 39 0.667 10.952 5.921 1.00 1.04 N ATOM 580 CA LYS A 39 0.126 9.834 6.742 1.00 1.12 C ATOM 581 C LYS A 39 -1.373 10.045 7.046 1.00 0.95 C ATOM 582 O LYS A 39 -2.163 9.147 6.867 1.00 0.82 O ATOM 583 CB LYS A 39 0.903 9.723 8.067 1.00 1.48 C ATOM 584 CG LYS A 39 1.509 8.317 8.207 1.00 1.12 C ATOM 585 CD LYS A 39 1.960 8.113 9.656 1.00 1.61 C ATOM 586 CE LYS A 39 2.750 6.802 9.763 1.00 1.26 C ATOM 587 NZ LYS A 39 3.436 6.711 11.082 1.00 1.65 N ATOM 0 H LYS A 39 1.114 11.705 6.445 1.00 1.04 H new ATOM 0 HA LYS A 39 0.242 8.913 6.171 1.00 1.12 H new ATOM 0 HB2 LYS A 39 1.693 10.473 8.098 1.00 1.48 H new ATOM 0 HB3 LYS A 39 0.238 9.926 8.906 1.00 1.48 H new ATOM 0 HG2 LYS A 39 0.774 7.561 7.931 1.00 1.12 H new ATOM 0 HG3 LYS A 39 2.355 8.202 7.529 1.00 1.12 H new ATOM 0 HD2 LYS A 39 2.579 8.951 9.977 1.00 1.61 H new ATOM 0 HD3 LYS A 39 1.094 8.084 10.318 1.00 1.61 H new ATOM 0 HE2 LYS A 39 2.077 5.954 9.638 1.00 1.26 H new ATOM 0 HE3 LYS A 39 3.485 6.747 8.960 1.00 1.26 H new ATOM 0 HZ1 LYS A 39 4.404 6.355 10.946 1.00 1.65 H new ATOM 0 HZ2 LYS A 39 3.472 7.654 11.520 1.00 1.65 H new ATOM 0 HZ3 LYS A 39 2.912 6.061 11.702 1.00 1.65 H new ATOM 601 N PRO A 40 -1.744 11.243 7.487 1.00 1.01 N ATOM 602 CA PRO A 40 -3.146 11.520 7.825 1.00 1.01 C ATOM 603 C PRO A 40 -4.040 11.379 6.589 1.00 0.76 C ATOM 604 O PRO A 40 -5.229 11.621 6.653 1.00 0.86 O ATOM 605 CB PRO A 40 -3.163 12.961 8.346 1.00 1.18 C ATOM 606 CG PRO A 40 -1.692 13.475 8.337 1.00 1.26 C ATOM 607 CD PRO A 40 -0.832 12.394 7.657 1.00 1.14 C ATOM 0 HA PRO A 40 -3.529 10.818 8.566 1.00 1.01 H new ATOM 0 HB2 PRO A 40 -3.793 13.590 7.717 1.00 1.18 H new ATOM 0 HB3 PRO A 40 -3.578 13.000 9.353 1.00 1.18 H new ATOM 0 HG2 PRO A 40 -1.619 14.420 7.798 1.00 1.26 H new ATOM 0 HG3 PRO A 40 -1.344 13.660 9.353 1.00 1.26 H new ATOM 0 HD2 PRO A 40 -0.447 12.739 6.698 1.00 1.14 H new ATOM 0 HD3 PRO A 40 0.030 12.130 8.270 1.00 1.14 H new ATOM 615 N PHE A 41 -3.442 10.994 5.492 1.00 0.53 N ATOM 616 CA PHE A 41 -4.231 10.820 4.236 1.00 0.30 C ATOM 617 C PHE A 41 -4.432 9.327 3.941 1.00 0.21 C ATOM 618 O PHE A 41 -5.544 8.870 3.776 1.00 0.24 O ATOM 619 CB PHE A 41 -3.477 11.479 3.083 1.00 0.12 C ATOM 620 CG PHE A 41 -3.618 12.999 3.195 1.00 0.22 C ATOM 621 CD1 PHE A 41 -4.690 13.650 2.610 1.00 0.36 C ATOM 622 CD2 PHE A 41 -2.676 13.742 3.886 1.00 0.27 C ATOM 623 CE1 PHE A 41 -4.815 15.022 2.713 1.00 0.49 C ATOM 624 CE2 PHE A 41 -2.804 15.112 3.988 1.00 0.41 C ATOM 625 CZ PHE A 41 -3.872 15.751 3.402 1.00 0.50 C ATOM 0 H PHE A 41 -2.445 10.793 5.411 1.00 0.53 H new ATOM 0 HA PHE A 41 -5.209 11.286 4.353 1.00 0.30 H new ATOM 0 HB2 PHE A 41 -2.425 11.196 3.112 1.00 0.12 H new ATOM 0 HB3 PHE A 41 -3.874 11.134 2.128 1.00 0.12 H new ATOM 0 HD1 PHE A 41 -5.433 13.082 2.070 1.00 0.36 H new ATOM 0 HD2 PHE A 41 -1.835 13.246 4.348 1.00 0.27 H new ATOM 0 HE1 PHE A 41 -5.653 15.523 2.252 1.00 0.49 H new ATOM 0 HE2 PHE A 41 -2.064 15.684 4.529 1.00 0.41 H new ATOM 0 HZ PHE A 41 -3.971 16.823 3.482 1.00 0.50 H new ATOM 635 N PHE A 42 -3.346 8.601 3.879 1.00 0.20 N ATOM 636 CA PHE A 42 -3.456 7.134 3.597 1.00 0.18 C ATOM 637 C PHE A 42 -3.702 6.354 4.895 1.00 0.22 C ATOM 638 O PHE A 42 -4.330 5.314 4.891 1.00 0.20 O ATOM 639 CB PHE A 42 -2.152 6.649 2.959 1.00 0.25 C ATOM 640 CG PHE A 42 -2.259 5.147 2.671 1.00 0.20 C ATOM 641 CD1 PHE A 42 -3.100 4.685 1.675 1.00 0.17 C ATOM 642 CD2 PHE A 42 -1.518 4.231 3.403 1.00 0.20 C ATOM 643 CE1 PHE A 42 -3.202 3.335 1.416 1.00 0.13 C ATOM 644 CE2 PHE A 42 -1.623 2.881 3.141 1.00 0.16 C ATOM 645 CZ PHE A 42 -2.463 2.434 2.148 1.00 0.13 C ATOM 0 H PHE A 42 -2.397 8.953 4.009 1.00 0.20 H new ATOM 0 HA PHE A 42 -4.294 6.965 2.921 1.00 0.18 H new ATOM 0 HB2 PHE A 42 -1.960 7.196 2.036 1.00 0.25 H new ATOM 0 HB3 PHE A 42 -1.312 6.845 3.626 1.00 0.25 H new ATOM 0 HD1 PHE A 42 -3.681 5.387 1.096 1.00 0.17 H new ATOM 0 HD2 PHE A 42 -0.855 4.577 4.182 1.00 0.20 H new ATOM 0 HE1 PHE A 42 -3.863 2.984 0.637 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.045 2.174 3.717 1.00 0.16 H new ATOM 0 HZ PHE A 42 -2.543 1.377 1.943 1.00 0.13 H new ATOM 655 N HIS A 43 -3.199 6.879 5.977 1.00 0.30 N ATOM 656 CA HIS A 43 -3.367 6.182 7.288 1.00 0.36 C ATOM 657 C HIS A 43 -4.710 6.553 7.932 1.00 0.36 C ATOM 658 O HIS A 43 -5.228 5.823 8.755 1.00 0.43 O ATOM 659 CB HIS A 43 -2.223 6.611 8.206 1.00 0.39 C ATOM 660 CG HIS A 43 -2.102 5.647 9.381 1.00 0.45 C ATOM 661 ND1 HIS A 43 -2.962 4.796 9.707 1.00 0.45 N ATOM 662 CD2 HIS A 43 -1.074 5.501 10.299 1.00 0.53 C ATOM 663 CE1 HIS A 43 -2.592 4.131 10.724 1.00 0.51 C ATOM 664 NE2 HIS A 43 -1.396 4.514 11.173 1.00 0.56 N ATOM 0 H HIS A 43 -2.681 7.757 6.013 1.00 0.30 H new ATOM 0 HA HIS A 43 -3.352 5.103 7.132 1.00 0.36 H new ATOM 0 HB2 HIS A 43 -1.287 6.634 7.647 1.00 0.39 H new ATOM 0 HB3 HIS A 43 -2.400 7.622 8.572 1.00 0.39 H new ATOM 0 HD1 HIS A 43 -3.846 4.655 9.218 1.00 0.45 H new ATOM 0 HD2 HIS A 43 -0.163 6.080 10.316 1.00 0.53 H new ATOM 0 HE1 HIS A 43 -3.179 3.344 11.174 1.00 0.51 H new ATOM 672 N SER A 44 -5.248 7.678 7.544 1.00 0.35 N ATOM 673 CA SER A 44 -6.553 8.109 8.134 1.00 0.36 C ATOM 674 C SER A 44 -7.714 7.345 7.489 1.00 0.40 C ATOM 675 O SER A 44 -8.844 7.451 7.920 1.00 0.53 O ATOM 676 CB SER A 44 -6.738 9.606 7.896 1.00 0.38 C ATOM 677 OG SER A 44 -6.658 9.744 6.486 1.00 1.11 O ATOM 0 H SER A 44 -4.848 8.312 6.853 1.00 0.35 H new ATOM 0 HA SER A 44 -6.546 7.896 9.203 1.00 0.36 H new ATOM 0 HB2 SER A 44 -7.698 9.955 8.277 1.00 0.38 H new ATOM 0 HB3 SER A 44 -5.965 10.188 8.398 1.00 0.38 H new ATOM 0 HG SER A 44 -6.369 10.653 6.262 1.00 1.11 H new ATOM 683 N LEU A 45 -7.412 6.596 6.467 1.00 0.35 N ATOM 684 CA LEU A 45 -8.489 5.817 5.788 1.00 0.40 C ATOM 685 C LEU A 45 -8.741 4.510 6.542 1.00 0.39 C ATOM 686 O LEU A 45 -9.712 3.822 6.295 1.00 0.48 O ATOM 687 CB LEU A 45 -8.052 5.506 4.355 1.00 0.46 C ATOM 688 CG LEU A 45 -8.054 6.801 3.525 1.00 0.74 C ATOM 689 CD1 LEU A 45 -7.441 6.516 2.153 1.00 0.69 C ATOM 690 CD2 LEU A 45 -9.491 7.309 3.338 1.00 0.87 C ATOM 0 H LEU A 45 -6.477 6.488 6.074 1.00 0.35 H new ATOM 0 HA LEU A 45 -9.409 6.402 5.776 1.00 0.40 H new ATOM 0 HB2 LEU A 45 -7.056 5.063 4.355 1.00 0.46 H new ATOM 0 HB3 LEU A 45 -8.726 4.775 3.909 1.00 0.46 H new ATOM 0 HG LEU A 45 -7.473 7.561 4.047 1.00 0.74 H new ATOM 0 HD11 LEU A 45 -7.439 7.430 1.559 1.00 0.69 H new ATOM 0 HD12 LEU A 45 -6.418 6.162 2.278 1.00 0.69 H new ATOM 0 HD13 LEU A 45 -8.029 5.753 1.643 1.00 0.69 H new ATOM 0 HD21 LEU A 45 -9.479 8.226 2.749 1.00 0.87 H new ATOM 0 HD22 LEU A 45 -10.080 6.552 2.819 1.00 0.87 H new ATOM 0 HD23 LEU A 45 -9.936 7.510 4.313 1.00 0.87 H new ATOM 702 N SER A 46 -7.858 4.199 7.449 1.00 0.30 N ATOM 703 CA SER A 46 -8.022 2.943 8.234 1.00 0.34 C ATOM 704 C SER A 46 -9.437 2.865 8.824 1.00 0.43 C ATOM 705 O SER A 46 -9.913 1.798 9.157 1.00 0.35 O ATOM 706 CB SER A 46 -6.997 2.930 9.365 1.00 0.39 C ATOM 707 OG SER A 46 -6.579 1.577 9.440 1.00 0.77 O ATOM 0 H SER A 46 -7.035 4.755 7.680 1.00 0.30 H new ATOM 0 HA SER A 46 -7.869 2.085 7.579 1.00 0.34 H new ATOM 0 HB2 SER A 46 -6.160 3.594 9.151 1.00 0.39 H new ATOM 0 HB3 SER A 46 -7.437 3.264 10.305 1.00 0.39 H new ATOM 0 HG SER A 46 -6.245 1.289 8.565 1.00 0.77 H new ATOM 713 N GLU A 47 -10.074 4.003 8.938 1.00 0.61 N ATOM 714 CA GLU A 47 -11.460 4.024 9.506 1.00 0.74 C ATOM 715 C GLU A 47 -12.491 4.244 8.393 1.00 0.76 C ATOM 716 O GLU A 47 -13.511 3.586 8.352 1.00 0.86 O ATOM 717 CB GLU A 47 -11.564 5.160 10.524 1.00 0.82 C ATOM 718 CG GLU A 47 -10.955 4.705 11.853 1.00 1.01 C ATOM 719 CD GLU A 47 -11.093 5.828 12.882 1.00 1.20 C ATOM 720 OE1 GLU A 47 -10.489 6.861 12.642 1.00 2.15 O ATOM 721 OE2 GLU A 47 -11.795 5.590 13.851 1.00 1.37 O ATOM 0 H GLU A 47 -9.700 4.912 8.666 1.00 0.61 H new ATOM 0 HA GLU A 47 -11.662 3.067 9.988 1.00 0.74 H new ATOM 0 HB2 GLU A 47 -11.043 6.043 10.155 1.00 0.82 H new ATOM 0 HB3 GLU A 47 -12.607 5.442 10.666 1.00 0.82 H new ATOM 0 HG2 GLU A 47 -11.459 3.806 12.209 1.00 1.01 H new ATOM 0 HG3 GLU A 47 -9.905 4.448 11.716 1.00 1.01 H new ATOM 728 N LYS A 48 -12.201 5.164 7.514 1.00 0.68 N ATOM 729 CA LYS A 48 -13.159 5.439 6.403 1.00 0.72 C ATOM 730 C LYS A 48 -13.547 4.135 5.694 1.00 0.69 C ATOM 731 O LYS A 48 -14.684 3.711 5.748 1.00 0.75 O ATOM 732 CB LYS A 48 -12.510 6.389 5.405 1.00 0.69 C ATOM 733 CG LYS A 48 -13.574 7.342 4.861 1.00 0.75 C ATOM 734 CD LYS A 48 -14.678 6.529 4.177 1.00 2.46 C ATOM 735 CE LYS A 48 -15.393 7.414 3.156 1.00 2.75 C ATOM 736 NZ LYS A 48 -15.998 8.599 3.828 1.00 2.06 N ATOM 0 H LYS A 48 -11.353 5.731 7.515 1.00 0.68 H new ATOM 0 HA LYS A 48 -14.060 5.893 6.815 1.00 0.72 H new ATOM 0 HB2 LYS A 48 -11.711 6.952 5.886 1.00 0.69 H new ATOM 0 HB3 LYS A 48 -12.056 5.826 4.589 1.00 0.69 H new ATOM 0 HG2 LYS A 48 -13.994 7.938 5.671 1.00 0.75 H new ATOM 0 HG3 LYS A 48 -13.127 8.039 4.152 1.00 0.75 H new ATOM 0 HD2 LYS A 48 -14.251 5.656 3.684 1.00 2.46 H new ATOM 0 HD3 LYS A 48 -15.388 6.161 4.918 1.00 2.46 H new ATOM 0 HE2 LYS A 48 -14.688 7.742 2.392 1.00 2.75 H new ATOM 0 HE3 LYS A 48 -16.169 6.841 2.648 1.00 2.75 H new ATOM 0 HZ1 LYS A 48 -16.619 9.098 3.159 1.00 2.06 H new ATOM 0 HZ2 LYS A 48 -16.554 8.286 4.649 1.00 2.06 H new ATOM 0 HZ3 LYS A 48 -15.244 9.241 4.145 1.00 2.06 H new ATOM 750 N TYR A 49 -12.590 3.527 5.046 1.00 0.59 N ATOM 751 CA TYR A 49 -12.888 2.252 4.327 1.00 0.55 C ATOM 752 C TYR A 49 -12.553 1.049 5.214 1.00 0.50 C ATOM 753 O TYR A 49 -11.559 0.381 5.008 1.00 0.83 O ATOM 754 CB TYR A 49 -12.049 2.191 3.051 1.00 0.56 C ATOM 755 CG TYR A 49 -12.638 3.144 2.010 1.00 0.51 C ATOM 756 CD1 TYR A 49 -13.784 2.807 1.320 1.00 0.50 C ATOM 757 CD2 TYR A 49 -12.031 4.355 1.746 1.00 0.53 C ATOM 758 CE1 TYR A 49 -14.315 3.667 0.381 1.00 0.47 C ATOM 759 CE2 TYR A 49 -12.562 5.215 0.806 1.00 0.50 C ATOM 760 CZ TYR A 49 -13.707 4.878 0.116 1.00 0.45 C ATOM 761 OH TYR A 49 -14.240 5.738 -0.824 1.00 0.44 O ATOM 0 H TYR A 49 -11.625 3.852 4.983 1.00 0.59 H new ATOM 0 HA TYR A 49 -13.949 2.221 4.080 1.00 0.55 H new ATOM 0 HB2 TYR A 49 -11.017 2.465 3.268 1.00 0.56 H new ATOM 0 HB3 TYR A 49 -12.034 1.173 2.661 1.00 0.56 H new ATOM 0 HD1 TYR A 49 -14.269 1.862 1.516 1.00 0.50 H new ATOM 0 HD2 TYR A 49 -11.133 4.632 2.279 1.00 0.53 H new ATOM 0 HE1 TYR A 49 -15.213 3.391 -0.151 1.00 0.47 H new ATOM 0 HE2 TYR A 49 -12.077 6.160 0.609 1.00 0.50 H new ATOM 0 HH TYR A 49 -13.685 6.544 -0.882 1.00 0.44 H new ATOM 771 N SER A 50 -13.390 0.799 6.181 1.00 0.24 N ATOM 772 CA SER A 50 -13.137 -0.358 7.089 1.00 0.24 C ATOM 773 C SER A 50 -13.397 -1.675 6.350 1.00 0.18 C ATOM 774 O SER A 50 -13.192 -2.743 6.889 1.00 0.22 O ATOM 775 CB SER A 50 -14.067 -0.261 8.296 1.00 0.30 C ATOM 776 OG SER A 50 -15.348 -0.029 7.729 1.00 0.63 O ATOM 0 H SER A 50 -14.232 1.339 6.383 1.00 0.24 H new ATOM 0 HA SER A 50 -12.098 -0.335 7.418 1.00 0.24 H new ATOM 0 HB2 SER A 50 -14.052 -1.178 8.885 1.00 0.30 H new ATOM 0 HB3 SER A 50 -13.773 0.551 8.962 1.00 0.30 H new ATOM 0 HG SER A 50 -16.014 0.045 8.444 1.00 0.63 H new ATOM 782 N ASN A 51 -13.845 -1.564 5.127 1.00 0.14 N ATOM 783 CA ASN A 51 -14.128 -2.798 4.332 1.00 0.10 C ATOM 784 C ASN A 51 -12.961 -3.098 3.386 1.00 0.08 C ATOM 785 O ASN A 51 -13.047 -3.981 2.556 1.00 0.15 O ATOM 786 CB ASN A 51 -15.400 -2.584 3.515 1.00 0.10 C ATOM 787 CG ASN A 51 -15.902 -3.935 3.000 1.00 0.22 C ATOM 788 OD1 ASN A 51 -15.365 -4.974 3.325 1.00 0.93 O ATOM 789 ND2 ASN A 51 -16.930 -3.964 2.196 1.00 1.05 N ATOM 0 H ASN A 51 -14.026 -0.682 4.647 1.00 0.14 H new ATOM 0 HA ASN A 51 -14.257 -3.640 5.011 1.00 0.10 H new ATOM 0 HB2 ASN A 51 -16.165 -2.109 4.129 1.00 0.10 H new ATOM 0 HB3 ASN A 51 -15.201 -1.914 2.679 1.00 0.10 H new ATOM 0 HD21 ASN A 51 -17.278 -4.856 1.845 1.00 1.05 H new ATOM 0 HD22 ASN A 51 -17.386 -3.094 1.919 1.00 1.05 H new ATOM 796 N VAL A 52 -11.895 -2.351 3.537 1.00 0.03 N ATOM 797 CA VAL A 52 -10.702 -2.566 2.661 1.00 0.05 C ATOM 798 C VAL A 52 -9.449 -2.742 3.521 1.00 0.05 C ATOM 799 O VAL A 52 -9.372 -2.223 4.617 1.00 0.04 O ATOM 800 CB VAL A 52 -10.527 -1.351 1.752 1.00 0.08 C ATOM 801 CG1 VAL A 52 -9.343 -1.590 0.813 1.00 0.11 C ATOM 802 CG2 VAL A 52 -11.797 -1.158 0.922 1.00 0.20 C ATOM 0 H VAL A 52 -11.799 -1.605 4.226 1.00 0.03 H new ATOM 0 HA VAL A 52 -10.850 -3.463 2.059 1.00 0.05 H new ATOM 0 HB VAL A 52 -10.343 -0.463 2.356 1.00 0.08 H new ATOM 0 HG11 VAL A 52 -9.214 -0.725 0.162 1.00 0.11 H new ATOM 0 HG12 VAL A 52 -8.437 -1.740 1.400 1.00 0.11 H new ATOM 0 HG13 VAL A 52 -9.533 -2.475 0.206 1.00 0.11 H new ATOM 0 HG21 VAL A 52 -11.678 -0.292 0.271 1.00 0.20 H new ATOM 0 HG22 VAL A 52 -11.974 -2.046 0.316 1.00 0.20 H new ATOM 0 HG23 VAL A 52 -12.646 -0.998 1.587 1.00 0.20 H new ATOM 812 N ILE A 53 -8.492 -3.471 3.004 1.00 0.06 N ATOM 813 CA ILE A 53 -7.237 -3.690 3.784 1.00 0.06 C ATOM 814 C ILE A 53 -6.147 -2.730 3.298 1.00 0.04 C ATOM 815 O ILE A 53 -6.049 -2.439 2.117 1.00 0.07 O ATOM 816 CB ILE A 53 -6.770 -5.141 3.595 1.00 0.07 C ATOM 817 CG1 ILE A 53 -7.935 -6.108 3.908 1.00 0.34 C ATOM 818 CG2 ILE A 53 -5.579 -5.430 4.530 1.00 0.20 C ATOM 819 CD1 ILE A 53 -8.527 -5.800 5.292 1.00 1.42 C ATOM 0 H ILE A 53 -8.524 -3.918 2.088 1.00 0.06 H new ATOM 0 HA ILE A 53 -7.430 -3.502 4.840 1.00 0.06 H new ATOM 0 HB ILE A 53 -6.454 -5.287 2.562 1.00 0.07 H new ATOM 0 HG12 ILE A 53 -8.708 -6.015 3.145 1.00 0.34 H new ATOM 0 HG13 ILE A 53 -7.580 -7.138 3.878 1.00 0.34 H new ATOM 0 HG21 ILE A 53 -5.251 -6.460 4.393 1.00 0.20 H new ATOM 0 HG22 ILE A 53 -4.758 -4.753 4.294 1.00 0.20 H new ATOM 0 HG23 ILE A 53 -5.885 -5.281 5.566 1.00 0.20 H new ATOM 0 HD11 ILE A 53 -9.346 -6.489 5.499 1.00 1.42 H new ATOM 0 HD12 ILE A 53 -7.755 -5.916 6.052 1.00 1.42 H new ATOM 0 HD13 ILE A 53 -8.901 -4.776 5.308 1.00 1.42 H new ATOM 831 N PHE A 54 -5.350 -2.263 4.226 1.00 0.08 N ATOM 832 CA PHE A 54 -4.260 -1.307 3.861 1.00 0.09 C ATOM 833 C PHE A 54 -2.928 -1.762 4.461 1.00 0.11 C ATOM 834 O PHE A 54 -2.882 -2.274 5.563 1.00 0.20 O ATOM 835 CB PHE A 54 -4.614 0.071 4.416 1.00 0.10 C ATOM 836 CG PHE A 54 -5.897 0.571 3.749 1.00 0.04 C ATOM 837 CD1 PHE A 54 -5.845 1.264 2.552 1.00 0.06 C ATOM 838 CD2 PHE A 54 -7.128 0.335 4.337 1.00 0.08 C ATOM 839 CE1 PHE A 54 -7.004 1.713 1.954 1.00 0.08 C ATOM 840 CE2 PHE A 54 -8.286 0.786 3.735 1.00 0.10 C ATOM 841 CZ PHE A 54 -8.223 1.474 2.546 1.00 0.09 C ATOM 0 H PHE A 54 -5.406 -2.501 5.216 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.162 -1.270 2.776 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -4.750 0.017 5.496 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -3.798 0.770 4.232 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -4.891 1.454 2.083 1.00 0.06 H new ATOM 0 HD2 PHE A 54 -7.183 -0.204 5.271 1.00 0.08 H new ATOM 0 HE1 PHE A 54 -6.955 2.253 1.020 1.00 0.08 H new ATOM 0 HE2 PHE A 54 -9.243 0.598 4.199 1.00 0.10 H new ATOM 0 HZ PHE A 54 -9.130 1.827 2.077 1.00 0.09 H new ATOM 851 N LEU A 55 -1.873 -1.572 3.714 1.00 0.20 N ATOM 852 CA LEU A 55 -0.526 -1.967 4.218 1.00 0.23 C ATOM 853 C LEU A 55 0.479 -0.845 3.932 1.00 0.13 C ATOM 854 O LEU A 55 0.265 -0.024 3.062 1.00 0.09 O ATOM 855 CB LEU A 55 -0.060 -3.244 3.510 1.00 0.29 C ATOM 856 CG LEU A 55 -1.269 -4.146 3.205 1.00 0.32 C ATOM 857 CD1 LEU A 55 -2.021 -3.622 1.979 1.00 0.48 C ATOM 858 CD2 LEU A 55 -0.776 -5.557 2.896 1.00 0.42 C ATOM 0 H LEU A 55 -1.886 -1.162 2.780 1.00 0.20 H new ATOM 0 HA LEU A 55 -0.587 -2.145 5.292 1.00 0.23 H new ATOM 0 HB2 LEU A 55 0.457 -2.989 2.585 1.00 0.29 H new ATOM 0 HB3 LEU A 55 0.654 -3.778 4.137 1.00 0.29 H new ATOM 0 HG LEU A 55 -1.932 -4.150 4.070 1.00 0.32 H new ATOM 0 HD11 LEU A 55 -2.874 -4.268 1.772 1.00 0.48 H new ATOM 0 HD12 LEU A 55 -2.372 -2.608 2.173 1.00 0.48 H new ATOM 0 HD13 LEU A 55 -1.353 -3.616 1.118 1.00 0.48 H new ATOM 0 HD21 LEU A 55 -1.628 -6.201 2.679 1.00 0.42 H new ATOM 0 HD22 LEU A 55 -0.113 -5.529 2.031 1.00 0.42 H new ATOM 0 HD23 LEU A 55 -0.234 -5.950 3.757 1.00 0.42 H new ATOM 870 N GLU A 56 1.556 -0.845 4.668 1.00 0.24 N ATOM 871 CA GLU A 56 2.599 0.210 4.466 1.00 0.17 C ATOM 872 C GLU A 56 3.985 -0.442 4.432 1.00 0.17 C ATOM 873 O GLU A 56 4.415 -1.032 5.404 1.00 0.16 O ATOM 874 CB GLU A 56 2.531 1.204 5.623 1.00 0.24 C ATOM 875 CG GLU A 56 3.187 2.518 5.197 1.00 0.43 C ATOM 876 CD GLU A 56 3.222 3.474 6.390 1.00 0.75 C ATOM 877 OE1 GLU A 56 3.844 3.097 7.369 1.00 0.95 O ATOM 878 OE2 GLU A 56 2.622 4.529 6.257 1.00 1.83 O ATOM 0 H GLU A 56 1.762 -1.526 5.399 1.00 0.24 H new ATOM 0 HA GLU A 56 2.422 0.729 3.524 1.00 0.17 H new ATOM 0 HB2 GLU A 56 1.493 1.378 5.908 1.00 0.24 H new ATOM 0 HB3 GLU A 56 3.038 0.797 6.498 1.00 0.24 H new ATOM 0 HG2 GLU A 56 4.198 2.333 4.835 1.00 0.43 H new ATOM 0 HG3 GLU A 56 2.631 2.966 4.374 1.00 0.43 H new ATOM 885 N VAL A 57 4.661 -0.321 3.316 1.00 0.19 N ATOM 886 CA VAL A 57 6.016 -0.950 3.208 1.00 0.21 C ATOM 887 C VAL A 57 7.119 0.091 3.389 1.00 0.24 C ATOM 888 O VAL A 57 6.999 1.217 2.945 1.00 0.34 O ATOM 889 CB VAL A 57 6.165 -1.597 1.835 1.00 0.22 C ATOM 890 CG1 VAL A 57 7.358 -2.554 1.856 1.00 0.51 C ATOM 891 CG2 VAL A 57 4.900 -2.380 1.512 1.00 0.56 C ATOM 0 H VAL A 57 4.340 0.178 2.486 1.00 0.19 H new ATOM 0 HA VAL A 57 6.110 -1.700 3.994 1.00 0.21 H new ATOM 0 HB VAL A 57 6.325 -0.827 1.080 1.00 0.22 H new ATOM 0 HG11 VAL A 57 7.469 -3.019 0.876 1.00 0.51 H new ATOM 0 HG12 VAL A 57 8.265 -2.000 2.099 1.00 0.51 H new ATOM 0 HG13 VAL A 57 7.192 -3.326 2.607 1.00 0.51 H new ATOM 0 HG21 VAL A 57 5.000 -2.845 0.531 1.00 0.56 H new ATOM 0 HG22 VAL A 57 4.748 -3.152 2.266 1.00 0.56 H new ATOM 0 HG23 VAL A 57 4.045 -1.704 1.507 1.00 0.56 H new ATOM 901 N ASP A 58 8.173 -0.321 4.038 1.00 0.17 N ATOM 902 CA ASP A 58 9.318 0.604 4.263 1.00 0.22 C ATOM 903 C ASP A 58 10.456 0.256 3.300 1.00 0.22 C ATOM 904 O ASP A 58 11.075 -0.782 3.419 1.00 0.22 O ATOM 905 CB ASP A 58 9.803 0.452 5.702 1.00 0.22 C ATOM 906 CG ASP A 58 10.769 1.591 6.037 1.00 0.28 C ATOM 907 OD1 ASP A 58 10.923 2.442 5.177 1.00 0.70 O ATOM 908 OD2 ASP A 58 11.298 1.544 7.135 1.00 1.29 O ATOM 0 H ASP A 58 8.290 -1.259 4.422 1.00 0.17 H new ATOM 0 HA ASP A 58 9.001 1.632 4.087 1.00 0.22 H new ATOM 0 HB2 ASP A 58 8.955 0.467 6.387 1.00 0.22 H new ATOM 0 HB3 ASP A 58 10.299 -0.510 5.830 1.00 0.22 H new ATOM 913 N VAL A 59 10.711 1.130 2.368 1.00 0.24 N ATOM 914 CA VAL A 59 11.807 0.858 1.389 1.00 0.25 C ATOM 915 C VAL A 59 13.178 0.984 2.068 1.00 0.27 C ATOM 916 O VAL A 59 14.181 1.183 1.411 1.00 0.27 O ATOM 917 CB VAL A 59 11.713 1.860 0.242 1.00 0.26 C ATOM 918 CG1 VAL A 59 10.435 1.591 -0.556 1.00 0.24 C ATOM 919 CG2 VAL A 59 11.663 3.281 0.814 1.00 0.24 C ATOM 0 H VAL A 59 10.216 2.013 2.239 1.00 0.24 H new ATOM 0 HA VAL A 59 11.699 -0.157 1.008 1.00 0.25 H new ATOM 0 HB VAL A 59 12.582 1.758 -0.408 1.00 0.26 H new ATOM 0 HG11 VAL A 59 10.362 2.304 -1.377 1.00 0.24 H new ATOM 0 HG12 VAL A 59 10.463 0.578 -0.957 1.00 0.24 H new ATOM 0 HG13 VAL A 59 9.569 1.700 0.097 1.00 0.24 H new ATOM 0 HG21 VAL A 59 11.596 4.000 -0.003 1.00 0.24 H new ATOM 0 HG22 VAL A 59 10.791 3.383 1.460 1.00 0.24 H new ATOM 0 HG23 VAL A 59 12.567 3.472 1.392 1.00 0.24 H new ATOM 929 N ASP A 60 13.191 0.864 3.367 1.00 0.28 N ATOM 930 CA ASP A 60 14.483 0.970 4.102 1.00 0.29 C ATOM 931 C ASP A 60 15.069 -0.423 4.347 1.00 0.26 C ATOM 932 O ASP A 60 16.195 -0.697 3.981 1.00 0.39 O ATOM 933 CB ASP A 60 14.234 1.658 5.442 1.00 0.60 C ATOM 934 CG ASP A 60 15.574 1.976 6.106 1.00 0.68 C ATOM 935 OD1 ASP A 60 16.378 2.598 5.433 1.00 0.70 O ATOM 936 OD2 ASP A 60 15.719 1.579 7.251 1.00 2.09 O ATOM 0 H ASP A 60 12.369 0.698 3.948 1.00 0.28 H new ATOM 0 HA ASP A 60 15.190 1.549 3.508 1.00 0.29 H new ATOM 0 HB2 ASP A 60 13.663 2.574 5.292 1.00 0.60 H new ATOM 0 HB3 ASP A 60 13.639 1.014 6.089 1.00 0.60 H new ATOM 941 N ASP A 61 14.285 -1.273 4.959 1.00 0.49 N ATOM 942 CA ASP A 61 14.771 -2.659 5.247 1.00 0.81 C ATOM 943 C ASP A 61 14.081 -3.669 4.323 1.00 0.80 C ATOM 944 O ASP A 61 14.565 -4.766 4.131 1.00 1.20 O ATOM 945 CB ASP A 61 14.452 -3.004 6.701 1.00 1.12 C ATOM 946 CG ASP A 61 14.209 -4.511 6.820 1.00 1.26 C ATOM 947 OD1 ASP A 61 15.198 -5.224 6.780 1.00 2.19 O ATOM 948 OD2 ASP A 61 13.048 -4.862 6.945 1.00 1.60 O ATOM 0 H ASP A 61 13.335 -1.071 5.271 1.00 0.49 H new ATOM 0 HA ASP A 61 15.847 -2.704 5.076 1.00 0.81 H new ATOM 0 HB2 ASP A 61 15.277 -2.705 7.348 1.00 1.12 H new ATOM 0 HB3 ASP A 61 13.571 -2.454 7.033 1.00 1.12 H new ATOM 953 N CYS A 62 12.965 -3.274 3.773 1.00 0.38 N ATOM 954 CA CYS A 62 12.226 -4.201 2.863 1.00 0.36 C ATOM 955 C CYS A 62 12.544 -3.874 1.400 1.00 0.33 C ATOM 956 O CYS A 62 11.678 -3.925 0.548 1.00 0.34 O ATOM 957 CB CYS A 62 10.726 -4.044 3.105 1.00 0.32 C ATOM 958 SG CYS A 62 10.174 -3.893 4.822 1.00 0.42 S ATOM 0 H CYS A 62 12.535 -2.360 3.911 1.00 0.38 H new ATOM 0 HA CYS A 62 12.533 -5.227 3.068 1.00 0.36 H new ATOM 0 HB2 CYS A 62 10.387 -3.161 2.563 1.00 0.32 H new ATOM 0 HB3 CYS A 62 10.221 -4.903 2.663 1.00 0.32 H new ATOM 0 HG CYS A 62 8.881 -3.765 4.852 1.00 0.42 H new ATOM 964 N GLN A 63 13.780 -3.546 1.140 1.00 0.35 N ATOM 965 CA GLN A 63 14.169 -3.214 -0.257 1.00 0.33 C ATOM 966 C GLN A 63 13.870 -4.391 -1.189 1.00 0.40 C ATOM 967 O GLN A 63 13.808 -4.234 -2.392 1.00 0.43 O ATOM 968 CB GLN A 63 15.662 -2.896 -0.299 1.00 0.34 C ATOM 969 CG GLN A 63 15.897 -1.508 0.302 1.00 0.86 C ATOM 970 CD GLN A 63 17.390 -1.178 0.241 1.00 1.10 C ATOM 971 OE1 GLN A 63 18.234 -2.031 0.431 1.00 0.84 O ATOM 972 NE2 GLN A 63 17.759 0.047 -0.021 1.00 2.16 N ATOM 0 H GLN A 63 14.531 -3.494 1.829 1.00 0.35 H new ATOM 0 HA GLN A 63 13.595 -2.350 -0.591 1.00 0.33 H new ATOM 0 HB2 GLN A 63 16.222 -3.647 0.259 1.00 0.34 H new ATOM 0 HB3 GLN A 63 16.024 -2.927 -1.327 1.00 0.34 H new ATOM 0 HG2 GLN A 63 15.325 -0.760 -0.246 1.00 0.86 H new ATOM 0 HG3 GLN A 63 15.549 -1.482 1.335 1.00 0.86 H new ATOM 0 HE21 GLN A 63 17.056 0.768 -0.182 1.00 2.16 H new ATOM 0 HE22 GLN A 63 18.750 0.283 -0.065 1.00 2.16 H new ATOM 981 N ASP A 64 13.690 -5.544 -0.612 1.00 0.47 N ATOM 982 CA ASP A 64 13.395 -6.740 -1.444 1.00 0.56 C ATOM 983 C ASP A 64 11.996 -6.630 -2.040 1.00 0.53 C ATOM 984 O ASP A 64 11.816 -6.694 -3.240 1.00 0.75 O ATOM 985 CB ASP A 64 13.484 -7.992 -0.574 1.00 0.65 C ATOM 986 CG ASP A 64 12.773 -7.738 0.756 1.00 0.58 C ATOM 987 OD1 ASP A 64 13.317 -6.960 1.521 1.00 0.96 O ATOM 988 OD2 ASP A 64 11.726 -8.338 0.931 1.00 1.00 O ATOM 0 H ASP A 64 13.734 -5.710 0.394 1.00 0.47 H new ATOM 0 HA ASP A 64 14.121 -6.803 -2.255 1.00 0.56 H new ATOM 0 HB2 ASP A 64 13.027 -8.838 -1.087 1.00 0.65 H new ATOM 0 HB3 ASP A 64 14.528 -8.252 -0.397 1.00 0.65 H new ATOM 993 N VAL A 65 11.039 -6.467 -1.183 1.00 0.34 N ATOM 994 CA VAL A 65 9.638 -6.345 -1.656 1.00 0.26 C ATOM 995 C VAL A 65 9.515 -5.194 -2.646 1.00 0.23 C ATOM 996 O VAL A 65 8.794 -5.274 -3.618 1.00 0.25 O ATOM 997 CB VAL A 65 8.740 -6.084 -0.467 1.00 0.22 C ATOM 998 CG1 VAL A 65 7.288 -6.364 -0.859 1.00 0.13 C ATOM 999 CG2 VAL A 65 9.141 -7.009 0.684 1.00 0.28 C ATOM 0 H VAL A 65 11.164 -6.412 -0.172 1.00 0.34 H new ATOM 0 HA VAL A 65 9.343 -7.269 -2.153 1.00 0.26 H new ATOM 0 HB VAL A 65 8.841 -5.045 -0.153 1.00 0.22 H new ATOM 0 HG11 VAL A 65 6.638 -6.177 -0.004 1.00 0.13 H new ATOM 0 HG12 VAL A 65 7.001 -5.711 -1.683 1.00 0.13 H new ATOM 0 HG13 VAL A 65 7.189 -7.404 -1.169 1.00 0.13 H new ATOM 0 HG21 VAL A 65 8.495 -6.823 1.542 1.00 0.28 H new ATOM 0 HG22 VAL A 65 9.036 -8.047 0.370 1.00 0.28 H new ATOM 0 HG23 VAL A 65 10.177 -6.817 0.961 1.00 0.28 H new ATOM 1009 N ALA A 66 10.213 -4.142 -2.370 1.00 0.23 N ATOM 1010 CA ALA A 66 10.165 -2.981 -3.287 1.00 0.19 C ATOM 1011 C ALA A 66 10.736 -3.388 -4.640 1.00 0.25 C ATOM 1012 O ALA A 66 10.128 -3.184 -5.671 1.00 0.24 O ATOM 1013 CB ALA A 66 10.993 -1.839 -2.701 1.00 0.21 C ATOM 0 H ALA A 66 10.814 -4.033 -1.553 1.00 0.23 H new ATOM 0 HA ALA A 66 9.134 -2.651 -3.412 1.00 0.19 H new ATOM 0 HB1 ALA A 66 10.959 -0.983 -3.374 1.00 0.21 H new ATOM 0 HB2 ALA A 66 10.585 -1.554 -1.731 1.00 0.21 H new ATOM 0 HB3 ALA A 66 12.026 -2.164 -2.579 1.00 0.21 H new ATOM 1019 N SER A 67 11.891 -3.969 -4.597 1.00 0.33 N ATOM 1020 CA SER A 67 12.542 -4.410 -5.857 1.00 0.39 C ATOM 1021 C SER A 67 11.718 -5.519 -6.515 1.00 0.31 C ATOM 1022 O SER A 67 11.984 -5.913 -7.634 1.00 0.29 O ATOM 1023 CB SER A 67 13.942 -4.933 -5.541 1.00 0.50 C ATOM 1024 OG SER A 67 14.550 -5.085 -6.816 1.00 1.22 O ATOM 0 H SER A 67 12.417 -4.160 -3.744 1.00 0.33 H new ATOM 0 HA SER A 67 12.608 -3.565 -6.543 1.00 0.39 H new ATOM 0 HB2 SER A 67 14.497 -4.234 -4.915 1.00 0.50 H new ATOM 0 HB3 SER A 67 13.902 -5.880 -5.003 1.00 0.50 H new ATOM 0 HG SER A 67 13.874 -5.358 -7.471 1.00 1.22 H new ATOM 1030 N GLU A 68 10.734 -5.999 -5.806 1.00 0.29 N ATOM 1031 CA GLU A 68 9.886 -7.073 -6.369 1.00 0.22 C ATOM 1032 C GLU A 68 8.733 -6.459 -7.158 1.00 0.22 C ATOM 1033 O GLU A 68 8.153 -7.089 -8.019 1.00 0.45 O ATOM 1034 CB GLU A 68 9.337 -7.936 -5.231 1.00 0.23 C ATOM 1035 CG GLU A 68 8.612 -9.140 -5.822 1.00 0.28 C ATOM 1036 CD GLU A 68 8.343 -10.163 -4.718 1.00 1.02 C ATOM 1037 OE1 GLU A 68 7.726 -9.761 -3.745 1.00 2.17 O ATOM 1038 OE2 GLU A 68 8.770 -11.290 -4.909 1.00 1.72 O ATOM 0 H GLU A 68 10.485 -5.692 -4.866 1.00 0.29 H new ATOM 0 HA GLU A 68 10.482 -7.694 -7.038 1.00 0.22 H new ATOM 0 HB2 GLU A 68 10.150 -8.267 -4.584 1.00 0.23 H new ATOM 0 HB3 GLU A 68 8.655 -7.353 -4.612 1.00 0.23 H new ATOM 0 HG2 GLU A 68 7.673 -8.825 -6.278 1.00 0.28 H new ATOM 0 HG3 GLU A 68 9.215 -9.590 -6.611 1.00 0.28 H new ATOM 1045 N CYS A 69 8.429 -5.236 -6.839 1.00 0.16 N ATOM 1046 CA CYS A 69 7.330 -4.537 -7.562 1.00 0.27 C ATOM 1047 C CYS A 69 7.928 -3.681 -8.678 1.00 0.45 C ATOM 1048 O CYS A 69 7.228 -3.203 -9.549 1.00 0.62 O ATOM 1049 CB CYS A 69 6.566 -3.652 -6.580 1.00 0.23 C ATOM 1050 SG CYS A 69 5.625 -4.479 -5.275 1.00 0.54 S ATOM 0 H CYS A 69 8.891 -4.689 -6.112 1.00 0.16 H new ATOM 0 HA CYS A 69 6.646 -5.267 -7.995 1.00 0.27 H new ATOM 0 HB2 CYS A 69 7.281 -2.980 -6.106 1.00 0.23 H new ATOM 0 HB3 CYS A 69 5.876 -3.032 -7.152 1.00 0.23 H new ATOM 0 HG CYS A 69 4.366 -4.178 -5.391 1.00 0.54 H new ATOM 1056 N GLU A 70 9.218 -3.510 -8.619 1.00 0.53 N ATOM 1057 CA GLU A 70 9.911 -2.704 -9.664 1.00 0.71 C ATOM 1058 C GLU A 70 9.610 -1.210 -9.495 1.00 0.65 C ATOM 1059 O GLU A 70 9.308 -0.526 -10.453 1.00 0.81 O ATOM 1060 CB GLU A 70 9.440 -3.171 -11.042 1.00 0.95 C ATOM 1061 CG GLU A 70 10.589 -3.023 -12.042 1.00 1.18 C ATOM 1062 CD GLU A 70 10.072 -3.318 -13.452 1.00 1.68 C ATOM 1063 OE1 GLU A 70 9.214 -2.564 -13.881 1.00 2.49 O ATOM 1064 OE2 GLU A 70 10.563 -4.279 -14.020 1.00 1.54 O ATOM 0 H GLU A 70 9.824 -3.893 -7.893 1.00 0.53 H new ATOM 0 HA GLU A 70 10.987 -2.846 -9.564 1.00 0.71 H new ATOM 0 HB2 GLU A 70 9.114 -4.210 -10.995 1.00 0.95 H new ATOM 0 HB3 GLU A 70 8.582 -2.582 -11.366 1.00 0.95 H new ATOM 0 HG2 GLU A 70 10.999 -2.014 -11.996 1.00 1.18 H new ATOM 0 HG3 GLU A 70 11.398 -3.708 -11.788 1.00 1.18 H new ATOM 1071 N VAL A 71 9.699 -0.731 -8.284 1.00 0.45 N ATOM 1072 CA VAL A 71 9.433 0.726 -8.064 1.00 0.40 C ATOM 1073 C VAL A 71 10.627 1.546 -8.556 1.00 0.58 C ATOM 1074 O VAL A 71 11.696 1.013 -8.776 1.00 0.90 O ATOM 1075 CB VAL A 71 9.214 0.999 -6.573 1.00 0.30 C ATOM 1076 CG1 VAL A 71 8.070 2.001 -6.409 1.00 0.44 C ATOM 1077 CG2 VAL A 71 8.844 -0.298 -5.860 1.00 0.48 C ATOM 0 H VAL A 71 9.939 -1.269 -7.451 1.00 0.45 H new ATOM 0 HA VAL A 71 8.538 1.010 -8.618 1.00 0.40 H new ATOM 0 HB VAL A 71 10.130 1.403 -6.142 1.00 0.30 H new ATOM 0 HG11 VAL A 71 7.909 2.199 -5.349 1.00 0.44 H new ATOM 0 HG12 VAL A 71 8.325 2.931 -6.918 1.00 0.44 H new ATOM 0 HG13 VAL A 71 7.159 1.588 -6.843 1.00 0.44 H new ATOM 0 HG21 VAL A 71 8.689 -0.099 -4.800 1.00 0.48 H new ATOM 0 HG22 VAL A 71 7.928 -0.702 -6.291 1.00 0.48 H new ATOM 0 HG23 VAL A 71 9.650 -1.022 -5.979 1.00 0.48 H new ATOM 1087 N LYS A 72 10.417 2.826 -8.720 1.00 0.54 N ATOM 1088 CA LYS A 72 11.535 3.703 -9.194 1.00 0.74 C ATOM 1089 C LYS A 72 11.563 5.009 -8.390 1.00 0.28 C ATOM 1090 O LYS A 72 12.443 5.827 -8.564 1.00 0.11 O ATOM 1091 CB LYS A 72 11.322 4.020 -10.677 1.00 1.32 C ATOM 1092 CG LYS A 72 12.586 4.676 -11.254 1.00 2.02 C ATOM 1093 CD LYS A 72 13.153 3.783 -12.362 1.00 1.65 C ATOM 1094 CE LYS A 72 12.155 3.720 -13.521 1.00 3.70 C ATOM 1095 NZ LYS A 72 12.794 4.185 -14.784 1.00 4.06 N ATOM 0 H LYS A 72 9.531 3.301 -8.549 1.00 0.54 H new ATOM 0 HA LYS A 72 12.484 3.185 -9.054 1.00 0.74 H new ATOM 0 HB2 LYS A 72 11.093 3.106 -11.225 1.00 1.32 H new ATOM 0 HB3 LYS A 72 10.468 4.686 -10.797 1.00 1.32 H new ATOM 0 HG2 LYS A 72 12.350 5.663 -11.651 1.00 2.02 H new ATOM 0 HG3 LYS A 72 13.328 4.818 -10.468 1.00 2.02 H new ATOM 0 HD2 LYS A 72 14.108 4.177 -12.710 1.00 1.65 H new ATOM 0 HD3 LYS A 72 13.343 2.782 -11.976 1.00 1.65 H new ATOM 0 HE2 LYS A 72 11.794 2.699 -13.643 1.00 3.70 H new ATOM 0 HE3 LYS A 72 11.287 4.340 -13.296 1.00 3.70 H new ATOM 0 HZ1 LYS A 72 12.104 4.136 -15.561 1.00 4.06 H new ATOM 0 HZ2 LYS A 72 13.117 5.167 -14.669 1.00 4.06 H new ATOM 0 HZ3 LYS A 72 13.608 3.577 -15.006 1.00 4.06 H new ATOM 1109 N CYS A 73 10.600 5.176 -7.525 1.00 0.24 N ATOM 1110 CA CYS A 73 10.565 6.423 -6.709 1.00 0.41 C ATOM 1111 C CYS A 73 9.359 6.416 -5.775 1.00 0.34 C ATOM 1112 O CYS A 73 8.261 6.076 -6.166 1.00 0.53 O ATOM 1113 CB CYS A 73 10.484 7.631 -7.639 1.00 0.96 C ATOM 1114 SG CYS A 73 9.529 7.444 -9.165 1.00 1.31 S ATOM 0 H CYS A 73 9.845 4.513 -7.349 1.00 0.24 H new ATOM 0 HA CYS A 73 11.472 6.478 -6.107 1.00 0.41 H new ATOM 0 HB2 CYS A 73 10.060 8.462 -7.076 1.00 0.96 H new ATOM 0 HB3 CYS A 73 11.500 7.916 -7.910 1.00 0.96 H new ATOM 0 HG CYS A 73 9.560 8.557 -9.835 1.00 1.31 H new ATOM 1120 N THR A 74 9.601 6.794 -4.556 1.00 0.42 N ATOM 1121 CA THR A 74 8.498 6.826 -3.562 1.00 0.31 C ATOM 1122 C THR A 74 7.895 8.246 -3.514 1.00 0.32 C ATOM 1123 O THR A 74 8.558 9.204 -3.859 1.00 0.37 O ATOM 1124 CB THR A 74 9.089 6.466 -2.194 1.00 0.30 C ATOM 1125 OG1 THR A 74 10.368 7.095 -2.182 1.00 0.40 O ATOM 1126 CG2 THR A 74 9.380 4.975 -2.092 1.00 0.36 C ATOM 0 H THR A 74 10.514 7.082 -4.204 1.00 0.42 H new ATOM 0 HA THR A 74 7.713 6.120 -3.832 1.00 0.31 H new ATOM 0 HB THR A 74 8.405 6.761 -1.399 1.00 0.30 H new ATOM 0 HG1 THR A 74 10.815 6.912 -1.329 1.00 0.40 H new ATOM 0 HG21 THR A 74 9.798 4.752 -1.110 1.00 0.36 H new ATOM 0 HG22 THR A 74 8.456 4.414 -2.229 1.00 0.36 H new ATOM 0 HG23 THR A 74 10.095 4.690 -2.864 1.00 0.36 H new ATOM 1134 N PRO A 75 6.646 8.363 -3.085 1.00 0.28 N ATOM 1135 CA PRO A 75 5.788 7.228 -2.673 1.00 0.24 C ATOM 1136 C PRO A 75 5.188 6.510 -3.894 1.00 0.23 C ATOM 1137 O PRO A 75 5.000 7.108 -4.942 1.00 0.28 O ATOM 1138 CB PRO A 75 4.660 7.874 -1.864 1.00 0.25 C ATOM 1139 CG PRO A 75 4.750 9.414 -2.099 1.00 0.30 C ATOM 1140 CD PRO A 75 6.026 9.678 -2.923 1.00 0.31 C ATOM 0 HA PRO A 75 6.353 6.484 -2.112 1.00 0.24 H new ATOM 0 HB2 PRO A 75 3.690 7.492 -2.182 1.00 0.25 H new ATOM 0 HB3 PRO A 75 4.763 7.639 -0.805 1.00 0.25 H new ATOM 0 HG2 PRO A 75 3.869 9.774 -2.630 1.00 0.30 H new ATOM 0 HG3 PRO A 75 4.789 9.946 -1.149 1.00 0.30 H new ATOM 0 HD2 PRO A 75 5.788 10.125 -3.888 1.00 0.31 H new ATOM 0 HD3 PRO A 75 6.693 10.369 -2.408 1.00 0.31 H new ATOM 1148 N THR A 76 4.899 5.243 -3.726 1.00 0.21 N ATOM 1149 CA THR A 76 4.292 4.467 -4.845 1.00 0.21 C ATOM 1150 C THR A 76 3.136 3.619 -4.302 1.00 0.23 C ATOM 1151 O THR A 76 3.286 2.923 -3.318 1.00 0.34 O ATOM 1152 CB THR A 76 5.359 3.569 -5.485 1.00 0.19 C ATOM 1153 OG1 THR A 76 6.194 4.466 -6.210 1.00 0.26 O ATOM 1154 CG2 THR A 76 4.760 2.638 -6.540 1.00 0.20 C ATOM 0 H THR A 76 5.057 4.717 -2.866 1.00 0.21 H new ATOM 0 HA THR A 76 3.908 5.149 -5.604 1.00 0.21 H new ATOM 0 HB THR A 76 5.851 2.973 -4.716 1.00 0.19 H new ATOM 0 HG1 THR A 76 6.818 4.902 -5.593 1.00 0.26 H new ATOM 0 HG21 THR A 76 5.548 2.019 -6.969 1.00 0.20 H new ATOM 0 HG22 THR A 76 4.008 1.999 -6.077 1.00 0.20 H new ATOM 0 HG23 THR A 76 4.296 3.232 -7.328 1.00 0.20 H new ATOM 1162 N PHE A 77 2.005 3.698 -4.957 1.00 0.15 N ATOM 1163 CA PHE A 77 0.817 2.924 -4.476 1.00 0.16 C ATOM 1164 C PHE A 77 0.559 1.708 -5.369 1.00 0.16 C ATOM 1165 O PHE A 77 0.678 1.787 -6.576 1.00 0.22 O ATOM 1166 CB PHE A 77 -0.400 3.838 -4.509 1.00 0.17 C ATOM 1167 CG PHE A 77 -0.295 4.838 -3.360 1.00 0.20 C ATOM 1168 CD1 PHE A 77 -0.495 4.422 -2.060 1.00 0.22 C ATOM 1169 CD2 PHE A 77 0.003 6.168 -3.606 1.00 0.23 C ATOM 1170 CE1 PHE A 77 -0.401 5.322 -1.016 1.00 0.26 C ATOM 1171 CE2 PHE A 77 0.098 7.066 -2.561 1.00 0.27 C ATOM 1172 CZ PHE A 77 -0.102 6.643 -1.268 1.00 0.29 C ATOM 0 H PHE A 77 1.852 4.258 -5.795 1.00 0.15 H new ATOM 0 HA PHE A 77 1.008 2.571 -3.463 1.00 0.16 H new ATOM 0 HB2 PHE A 77 -0.452 4.363 -5.463 1.00 0.17 H new ATOM 0 HB3 PHE A 77 -1.315 3.252 -4.417 1.00 0.17 H new ATOM 0 HD1 PHE A 77 -0.726 3.387 -1.857 1.00 0.22 H new ATOM 0 HD2 PHE A 77 0.162 6.505 -4.620 1.00 0.23 H new ATOM 0 HE1 PHE A 77 -0.562 4.990 -0.001 1.00 0.26 H new ATOM 0 HE2 PHE A 77 0.330 8.102 -2.760 1.00 0.27 H new ATOM 0 HZ PHE A 77 -0.025 7.345 -0.451 1.00 0.29 H new ATOM 1182 N GLN A 78 0.212 0.608 -4.747 1.00 0.13 N ATOM 1183 CA GLN A 78 -0.076 -0.637 -5.543 1.00 0.13 C ATOM 1184 C GLN A 78 -1.418 -1.258 -5.124 1.00 0.12 C ATOM 1185 O GLN A 78 -1.881 -1.058 -4.020 1.00 0.14 O ATOM 1186 CB GLN A 78 1.042 -1.644 -5.311 1.00 0.13 C ATOM 1187 CG GLN A 78 2.359 -1.055 -5.824 1.00 0.72 C ATOM 1188 CD GLN A 78 3.475 -2.088 -5.659 1.00 1.06 C ATOM 1189 OE1 GLN A 78 3.261 -3.275 -5.792 1.00 1.52 O ATOM 1190 NE2 GLN A 78 4.678 -1.678 -5.365 1.00 1.39 N ATOM 0 H GLN A 78 0.115 0.513 -3.736 1.00 0.13 H new ATOM 0 HA GLN A 78 -0.134 -0.373 -6.599 1.00 0.13 H new ATOM 0 HB2 GLN A 78 1.123 -1.879 -4.250 1.00 0.13 H new ATOM 0 HB3 GLN A 78 0.821 -2.578 -5.828 1.00 0.13 H new ATOM 0 HG2 GLN A 78 2.261 -0.774 -6.873 1.00 0.72 H new ATOM 0 HG3 GLN A 78 2.604 -0.147 -5.272 1.00 0.72 H new ATOM 0 HE21 GLN A 78 4.864 -0.681 -5.252 1.00 1.39 H new ATOM 0 HE22 GLN A 78 5.433 -2.354 -5.248 1.00 1.39 H new ATOM 1199 N PHE A 79 -2.008 -2.004 -6.033 1.00 0.14 N ATOM 1200 CA PHE A 79 -3.327 -2.656 -5.736 1.00 0.14 C ATOM 1201 C PHE A 79 -3.223 -4.184 -5.894 1.00 0.14 C ATOM 1202 O PHE A 79 -2.856 -4.669 -6.946 1.00 0.13 O ATOM 1203 CB PHE A 79 -4.370 -2.149 -6.740 1.00 0.14 C ATOM 1204 CG PHE A 79 -4.765 -0.701 -6.426 1.00 0.12 C ATOM 1205 CD1 PHE A 79 -3.839 0.326 -6.530 1.00 0.08 C ATOM 1206 CD2 PHE A 79 -6.063 -0.397 -6.038 1.00 0.13 C ATOM 1207 CE1 PHE A 79 -4.208 1.628 -6.251 1.00 0.07 C ATOM 1208 CE2 PHE A 79 -6.424 0.904 -5.761 1.00 0.11 C ATOM 1209 CZ PHE A 79 -5.499 1.914 -5.868 1.00 0.08 C ATOM 0 H PHE A 79 -1.634 -2.189 -6.964 1.00 0.14 H new ATOM 0 HA PHE A 79 -3.612 -2.412 -4.713 1.00 0.14 H new ATOM 0 HB2 PHE A 79 -3.968 -2.211 -7.751 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -5.253 -2.787 -6.708 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -2.825 0.107 -6.830 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.795 -1.186 -5.953 1.00 0.13 H new ATOM 0 HE1 PHE A 79 -3.482 2.423 -6.334 1.00 0.07 H new ATOM 0 HE2 PHE A 79 -7.436 1.130 -5.459 1.00 0.11 H new ATOM 0 HZ PHE A 79 -5.785 2.933 -5.652 1.00 0.08 H new ATOM 1219 N PHE A 80 -3.546 -4.908 -4.843 1.00 0.14 N ATOM 1220 CA PHE A 80 -3.503 -6.409 -4.932 1.00 0.14 C ATOM 1221 C PHE A 80 -4.868 -6.984 -4.537 1.00 0.20 C ATOM 1222 O PHE A 80 -5.612 -6.369 -3.795 1.00 0.16 O ATOM 1223 CB PHE A 80 -2.436 -6.956 -3.984 1.00 0.12 C ATOM 1224 CG PHE A 80 -1.049 -6.596 -4.510 1.00 0.10 C ATOM 1225 CD1 PHE A 80 -0.397 -7.418 -5.414 1.00 0.19 C ATOM 1226 CD2 PHE A 80 -0.431 -5.443 -4.089 1.00 0.14 C ATOM 1227 CE1 PHE A 80 0.859 -7.081 -5.882 1.00 0.16 C ATOM 1228 CE2 PHE A 80 0.823 -5.106 -4.555 1.00 0.18 C ATOM 1229 CZ PHE A 80 1.466 -5.926 -5.452 1.00 0.13 C ATOM 0 H PHE A 80 -3.834 -4.532 -3.940 1.00 0.14 H new ATOM 0 HA PHE A 80 -3.262 -6.698 -5.955 1.00 0.14 H new ATOM 0 HB2 PHE A 80 -2.576 -6.542 -2.985 1.00 0.12 H new ATOM 0 HB3 PHE A 80 -2.533 -8.038 -3.897 1.00 0.12 H new ATOM 0 HD1 PHE A 80 -0.872 -8.326 -5.755 1.00 0.19 H new ATOM 0 HD2 PHE A 80 -0.932 -4.794 -3.386 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.364 -7.726 -6.586 1.00 0.16 H new ATOM 0 HE2 PHE A 80 1.300 -4.198 -4.215 1.00 0.18 H new ATOM 0 HZ PHE A 80 2.447 -5.662 -5.818 1.00 0.13 H new ATOM 1239 N LYS A 81 -5.171 -8.147 -5.043 1.00 0.40 N ATOM 1240 CA LYS A 81 -6.482 -8.772 -4.702 1.00 0.49 C ATOM 1241 C LYS A 81 -6.388 -10.296 -4.818 1.00 0.40 C ATOM 1242 O LYS A 81 -5.940 -10.819 -5.818 1.00 0.36 O ATOM 1243 CB LYS A 81 -7.552 -8.250 -5.659 1.00 0.64 C ATOM 1244 CG LYS A 81 -8.880 -8.951 -5.352 1.00 0.61 C ATOM 1245 CD LYS A 81 -10.031 -7.940 -5.445 1.00 1.13 C ATOM 1246 CE LYS A 81 -10.113 -7.378 -6.871 1.00 1.10 C ATOM 1247 NZ LYS A 81 -9.894 -8.457 -7.877 1.00 1.84 N ATOM 0 H LYS A 81 -4.576 -8.688 -5.671 1.00 0.40 H new ATOM 0 HA LYS A 81 -6.746 -8.514 -3.677 1.00 0.49 H new ATOM 0 HB2 LYS A 81 -7.661 -7.171 -5.549 1.00 0.64 H new ATOM 0 HB3 LYS A 81 -7.257 -8.437 -6.692 1.00 0.64 H new ATOM 0 HG2 LYS A 81 -9.043 -9.768 -6.055 1.00 0.61 H new ATOM 0 HG3 LYS A 81 -8.849 -9.390 -4.355 1.00 0.61 H new ATOM 0 HD2 LYS A 81 -10.972 -8.421 -5.179 1.00 1.13 H new ATOM 0 HD3 LYS A 81 -9.874 -7.130 -4.733 1.00 1.13 H new ATOM 0 HE2 LYS A 81 -11.088 -6.918 -7.030 1.00 1.10 H new ATOM 0 HE3 LYS A 81 -9.366 -6.595 -7.002 1.00 1.10 H new ATOM 0 HZ1 LYS A 81 -10.276 -8.157 -8.797 1.00 1.84 H new ATOM 0 HZ2 LYS A 81 -8.875 -8.643 -7.970 1.00 1.84 H new ATOM 0 HZ3 LYS A 81 -10.378 -9.324 -7.567 1.00 1.84 H new ATOM 1261 N LYS A 82 -6.817 -10.974 -3.789 1.00 0.42 N ATOM 1262 CA LYS A 82 -6.756 -12.465 -3.821 1.00 0.36 C ATOM 1263 C LYS A 82 -5.304 -12.922 -3.982 1.00 0.38 C ATOM 1264 O LYS A 82 -5.037 -14.086 -4.210 1.00 0.36 O ATOM 1265 CB LYS A 82 -7.588 -12.974 -4.993 1.00 0.30 C ATOM 1266 CG LYS A 82 -8.294 -14.273 -4.590 1.00 0.70 C ATOM 1267 CD LYS A 82 -9.612 -13.936 -3.881 1.00 1.71 C ATOM 1268 CE LYS A 82 -10.169 -15.205 -3.231 1.00 2.28 C ATOM 1269 NZ LYS A 82 -9.707 -15.313 -1.818 1.00 3.87 N ATOM 0 H LYS A 82 -7.203 -10.568 -2.937 1.00 0.42 H new ATOM 0 HA LYS A 82 -7.152 -12.866 -2.888 1.00 0.36 H new ATOM 0 HB2 LYS A 82 -8.323 -12.223 -5.285 1.00 0.30 H new ATOM 0 HB3 LYS A 82 -6.949 -13.148 -5.859 1.00 0.30 H new ATOM 0 HG2 LYS A 82 -8.488 -14.883 -5.472 1.00 0.70 H new ATOM 0 HG3 LYS A 82 -7.653 -14.859 -3.931 1.00 0.70 H new ATOM 0 HD2 LYS A 82 -9.447 -13.168 -3.126 1.00 1.71 H new ATOM 0 HD3 LYS A 82 -10.330 -13.532 -4.594 1.00 1.71 H new ATOM 0 HE2 LYS A 82 -11.258 -15.189 -3.264 1.00 2.28 H new ATOM 0 HE3 LYS A 82 -9.846 -16.081 -3.794 1.00 2.28 H new ATOM 0 HZ1 LYS A 82 -9.762 -16.305 -1.510 1.00 3.87 H new ATOM 0 HZ2 LYS A 82 -8.723 -14.982 -1.748 1.00 3.87 H new ATOM 0 HZ3 LYS A 82 -10.313 -14.727 -1.209 1.00 3.87 H new ATOM 1283 N GLY A 83 -4.397 -11.992 -3.859 1.00 0.45 N ATOM 1284 CA GLY A 83 -2.958 -12.348 -4.001 1.00 0.47 C ATOM 1285 C GLY A 83 -2.489 -12.114 -5.437 1.00 0.50 C ATOM 1286 O GLY A 83 -1.648 -12.832 -5.942 1.00 0.78 O ATOM 0 H GLY A 83 -4.588 -11.009 -3.668 1.00 0.45 H new ATOM 0 HA2 GLY A 83 -2.359 -11.749 -3.314 1.00 0.47 H new ATOM 0 HA3 GLY A 83 -2.807 -13.392 -3.728 1.00 0.47 H new ATOM 1290 N GLN A 84 -3.043 -11.113 -6.068 1.00 0.42 N ATOM 1291 CA GLN A 84 -2.639 -10.823 -7.474 1.00 0.41 C ATOM 1292 C GLN A 84 -2.701 -9.319 -7.746 1.00 0.38 C ATOM 1293 O GLN A 84 -3.614 -8.642 -7.318 1.00 0.47 O ATOM 1294 CB GLN A 84 -3.584 -11.554 -8.426 1.00 0.43 C ATOM 1295 CG GLN A 84 -2.863 -12.769 -9.012 1.00 0.99 C ATOM 1296 CD GLN A 84 -3.824 -13.533 -9.927 1.00 0.76 C ATOM 1297 OE1 GLN A 84 -3.884 -13.296 -11.117 1.00 0.82 O ATOM 1298 NE2 GLN A 84 -4.591 -14.455 -9.412 1.00 1.63 N ATOM 0 H GLN A 84 -3.750 -10.490 -5.676 1.00 0.42 H new ATOM 0 HA GLN A 84 -1.616 -11.164 -7.630 1.00 0.41 H new ATOM 0 HB2 GLN A 84 -4.482 -11.870 -7.895 1.00 0.43 H new ATOM 0 HB3 GLN A 84 -3.904 -10.885 -9.225 1.00 0.43 H new ATOM 0 HG2 GLN A 84 -1.985 -12.450 -9.573 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -2.511 -13.419 -8.211 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -4.545 -14.658 -8.413 1.00 1.63 H new ATOM 0 HE22 GLN A 84 -5.237 -14.973 -10.008 1.00 1.63 H new ATOM 1307 N LYS A 85 -1.723 -8.831 -8.457 1.00 0.30 N ATOM 1308 CA LYS A 85 -1.697 -7.377 -8.772 1.00 0.27 C ATOM 1309 C LYS A 85 -2.773 -7.045 -9.812 1.00 0.31 C ATOM 1310 O LYS A 85 -3.048 -7.833 -10.693 1.00 0.50 O ATOM 1311 CB LYS A 85 -0.316 -7.027 -9.329 1.00 0.26 C ATOM 1312 CG LYS A 85 -0.129 -5.507 -9.354 1.00 0.25 C ATOM 1313 CD LYS A 85 1.367 -5.195 -9.445 1.00 0.29 C ATOM 1314 CE LYS A 85 1.924 -5.791 -10.739 1.00 0.48 C ATOM 1315 NZ LYS A 85 3.221 -5.151 -11.093 1.00 0.44 N ATOM 0 H LYS A 85 -0.945 -9.373 -8.832 1.00 0.30 H new ATOM 0 HA LYS A 85 -1.896 -6.799 -7.869 1.00 0.27 H new ATOM 0 HB2 LYS A 85 0.459 -7.487 -8.716 1.00 0.26 H new ATOM 0 HB3 LYS A 85 -0.208 -7.431 -10.335 1.00 0.26 H new ATOM 0 HG2 LYS A 85 -0.657 -5.076 -10.205 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -0.554 -5.060 -8.455 1.00 0.25 H new ATOM 0 HD2 LYS A 85 1.528 -4.117 -9.427 1.00 0.29 H new ATOM 0 HD3 LYS A 85 1.891 -5.610 -8.584 1.00 0.29 H new ATOM 0 HE2 LYS A 85 2.062 -6.866 -10.621 1.00 0.48 H new ATOM 0 HE3 LYS A 85 1.209 -5.649 -11.549 1.00 0.48 H new ATOM 0 HZ1 LYS A 85 3.353 -5.182 -12.124 1.00 0.44 H new ATOM 0 HZ2 LYS A 85 3.218 -4.161 -10.774 1.00 0.44 H new ATOM 0 HZ3 LYS A 85 3.999 -5.662 -10.629 1.00 0.44 H new ATOM 1329 N VAL A 86 -3.356 -5.883 -9.681 1.00 0.20 N ATOM 1330 CA VAL A 86 -4.418 -5.478 -10.655 1.00 0.21 C ATOM 1331 C VAL A 86 -4.264 -3.999 -11.041 1.00 0.19 C ATOM 1332 O VAL A 86 -4.665 -3.594 -12.114 1.00 0.22 O ATOM 1333 CB VAL A 86 -5.788 -5.701 -10.017 1.00 0.26 C ATOM 1334 CG1 VAL A 86 -6.113 -7.195 -10.033 1.00 0.38 C ATOM 1335 CG2 VAL A 86 -5.756 -5.210 -8.569 1.00 0.28 C ATOM 0 H VAL A 86 -3.148 -5.202 -8.951 1.00 0.20 H new ATOM 0 HA VAL A 86 -4.322 -6.081 -11.558 1.00 0.21 H new ATOM 0 HB VAL A 86 -6.547 -5.152 -10.575 1.00 0.26 H new ATOM 0 HG11 VAL A 86 -7.090 -7.360 -9.579 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -6.126 -7.553 -11.062 1.00 0.38 H new ATOM 0 HG13 VAL A 86 -5.355 -7.738 -9.469 1.00 0.38 H new ATOM 0 HG21 VAL A 86 -6.732 -5.367 -8.110 1.00 0.28 H new ATOM 0 HG22 VAL A 86 -5.000 -5.765 -8.013 1.00 0.28 H new ATOM 0 HG23 VAL A 86 -5.513 -4.148 -8.550 1.00 0.28 H new ATOM 1345 N GLY A 87 -3.686 -3.227 -10.161 1.00 0.17 N ATOM 1346 CA GLY A 87 -3.501 -1.779 -10.471 1.00 0.17 C ATOM 1347 C GLY A 87 -2.259 -1.235 -9.764 1.00 0.17 C ATOM 1348 O GLY A 87 -1.877 -1.720 -8.717 1.00 0.18 O ATOM 0 H GLY A 87 -3.338 -3.530 -9.252 1.00 0.17 H new ATOM 0 HA2 GLY A 87 -3.404 -1.641 -11.548 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.381 -1.218 -10.156 1.00 0.17 H new ATOM 1352 N GLU A 88 -1.650 -0.239 -10.350 1.00 0.23 N ATOM 1353 CA GLU A 88 -0.434 0.343 -9.710 1.00 0.23 C ATOM 1354 C GLU A 88 -0.057 1.673 -10.371 1.00 0.32 C ATOM 1355 O GLU A 88 0.151 1.742 -11.566 1.00 0.46 O ATOM 1356 CB GLU A 88 0.724 -0.649 -9.855 1.00 0.36 C ATOM 1357 CG GLU A 88 2.055 0.103 -9.755 1.00 1.44 C ATOM 1358 CD GLU A 88 3.170 -0.887 -9.412 1.00 2.09 C ATOM 1359 OE1 GLU A 88 3.141 -1.959 -9.995 1.00 1.88 O ATOM 1360 OE2 GLU A 88 3.987 -0.516 -8.586 1.00 3.11 O ATOM 0 H GLU A 88 -1.935 0.191 -11.230 1.00 0.23 H new ATOM 0 HA GLU A 88 -0.641 0.530 -8.656 1.00 0.23 H new ATOM 0 HB2 GLU A 88 0.665 -1.410 -9.077 1.00 0.36 H new ATOM 0 HB3 GLU A 88 0.657 -1.166 -10.812 1.00 0.36 H new ATOM 0 HG2 GLU A 88 2.275 0.604 -10.698 1.00 1.44 H new ATOM 0 HG3 GLU A 88 1.992 0.877 -8.990 1.00 1.44 H new ATOM 1367 N PHE A 89 0.021 2.698 -9.569 1.00 0.26 N ATOM 1368 CA PHE A 89 0.398 4.029 -10.103 1.00 0.39 C ATOM 1369 C PHE A 89 1.249 4.780 -9.070 1.00 0.44 C ATOM 1370 O PHE A 89 0.979 4.729 -7.883 1.00 0.47 O ATOM 1371 CB PHE A 89 -0.881 4.797 -10.413 1.00 0.43 C ATOM 1372 CG PHE A 89 -1.449 5.435 -9.143 1.00 0.39 C ATOM 1373 CD1 PHE A 89 -0.914 6.609 -8.639 1.00 0.40 C ATOM 1374 CD2 PHE A 89 -2.512 4.844 -8.481 1.00 0.39 C ATOM 1375 CE1 PHE A 89 -1.438 7.180 -7.496 1.00 0.37 C ATOM 1376 CE2 PHE A 89 -3.031 5.416 -7.338 1.00 0.38 C ATOM 1377 CZ PHE A 89 -2.496 6.582 -6.847 1.00 0.34 C ATOM 0 H PHE A 89 -0.161 2.668 -8.566 1.00 0.26 H new ATOM 0 HA PHE A 89 0.989 3.924 -11.013 1.00 0.39 H new ATOM 0 HB2 PHE A 89 -0.677 5.570 -11.154 1.00 0.43 H new ATOM 0 HB3 PHE A 89 -1.619 4.124 -10.849 1.00 0.43 H new ATOM 0 HD1 PHE A 89 -0.083 7.080 -9.142 1.00 0.40 H new ATOM 0 HD2 PHE A 89 -2.938 3.928 -8.863 1.00 0.39 H new ATOM 0 HE1 PHE A 89 -1.018 8.097 -7.110 1.00 0.37 H new ATOM 0 HE2 PHE A 89 -3.859 4.946 -6.828 1.00 0.38 H new ATOM 0 HZ PHE A 89 -2.904 7.030 -5.953 1.00 0.34 H new ATOM 1387 N SER A 90 2.265 5.456 -9.541 1.00 0.46 N ATOM 1388 CA SER A 90 3.154 6.197 -8.597 1.00 0.52 C ATOM 1389 C SER A 90 2.767 7.676 -8.525 1.00 0.33 C ATOM 1390 O SER A 90 2.015 8.163 -9.346 1.00 0.22 O ATOM 1391 CB SER A 90 4.601 6.074 -9.073 1.00 0.61 C ATOM 1392 OG SER A 90 4.650 6.878 -10.242 1.00 0.50 O ATOM 0 H SER A 90 2.516 5.527 -10.527 1.00 0.46 H new ATOM 0 HA SER A 90 3.044 5.765 -7.602 1.00 0.52 H new ATOM 0 HB2 SER A 90 5.301 6.428 -8.316 1.00 0.61 H new ATOM 0 HB3 SER A 90 4.863 5.038 -9.290 1.00 0.61 H new ATOM 0 HG SER A 90 5.556 6.857 -10.616 1.00 0.50 H new ATOM 1398 N GLY A 91 3.298 8.355 -7.533 1.00 0.34 N ATOM 1399 CA GLY A 91 2.990 9.810 -7.374 1.00 0.26 C ATOM 1400 C GLY A 91 2.251 10.061 -6.058 1.00 0.43 C ATOM 1401 O GLY A 91 1.411 9.281 -5.656 1.00 0.56 O ATOM 0 H GLY A 91 3.928 7.965 -6.832 1.00 0.34 H new ATOM 0 HA2 GLY A 91 3.914 10.388 -7.395 1.00 0.26 H new ATOM 0 HA3 GLY A 91 2.381 10.152 -8.211 1.00 0.26 H new ATOM 1405 N ALA A 92 2.581 11.149 -5.415 1.00 0.49 N ATOM 1406 CA ALA A 92 1.906 11.472 -4.122 1.00 0.69 C ATOM 1407 C ALA A 92 0.481 11.973 -4.377 1.00 0.66 C ATOM 1408 O ALA A 92 -0.061 12.734 -3.600 1.00 1.26 O ATOM 1409 CB ALA A 92 2.704 12.557 -3.401 1.00 0.84 C ATOM 0 H ALA A 92 3.282 11.823 -5.724 1.00 0.49 H new ATOM 0 HA ALA A 92 1.858 10.572 -3.508 1.00 0.69 H new ATOM 0 HB1 ALA A 92 2.218 12.799 -2.456 1.00 0.84 H new ATOM 0 HB2 ALA A 92 3.715 12.198 -3.208 1.00 0.84 H new ATOM 0 HB3 ALA A 92 2.750 13.450 -4.024 1.00 0.84 H new ATOM 1415 N ASN A 93 -0.098 11.535 -5.463 1.00 0.62 N ATOM 1416 CA ASN A 93 -1.486 11.977 -5.781 1.00 0.69 C ATOM 1417 C ASN A 93 -2.495 11.203 -4.925 1.00 0.76 C ATOM 1418 O ASN A 93 -3.002 10.176 -5.329 1.00 1.25 O ATOM 1419 CB ASN A 93 -1.762 11.725 -7.265 1.00 0.74 C ATOM 1420 CG ASN A 93 -2.860 12.677 -7.744 1.00 0.77 C ATOM 1421 OD1 ASN A 93 -2.815 13.191 -8.843 1.00 0.76 O ATOM 1422 ND2 ASN A 93 -3.862 12.939 -6.950 1.00 0.84 N ATOM 0 H ASN A 93 0.325 10.897 -6.137 1.00 0.62 H new ATOM 0 HA ASN A 93 -1.588 13.040 -5.563 1.00 0.69 H new ATOM 0 HB2 ASN A 93 -0.853 11.878 -7.847 1.00 0.74 H new ATOM 0 HB3 ASN A 93 -2.069 10.691 -7.419 1.00 0.74 H new ATOM 0 HD21 ASN A 93 -4.601 13.572 -7.254 1.00 0.84 H new ATOM 0 HD22 ASN A 93 -3.906 12.510 -6.025 1.00 0.84 H new ATOM 1429 N LYS A 94 -2.764 11.713 -3.754 1.00 0.71 N ATOM 1430 CA LYS A 94 -3.736 11.019 -2.863 1.00 0.71 C ATOM 1431 C LYS A 94 -5.161 11.220 -3.385 1.00 0.59 C ATOM 1432 O LYS A 94 -5.994 10.345 -3.278 1.00 0.37 O ATOM 1433 CB LYS A 94 -3.620 11.587 -1.448 1.00 0.83 C ATOM 1434 CG LYS A 94 -3.942 13.084 -1.476 1.00 0.70 C ATOM 1435 CD LYS A 94 -2.975 13.829 -0.556 1.00 0.44 C ATOM 1436 CE LYS A 94 -3.306 15.322 -0.587 1.00 0.67 C ATOM 1437 NZ LYS A 94 -4.736 15.547 -0.231 1.00 1.71 N ATOM 0 H LYS A 94 -2.358 12.570 -3.379 1.00 0.71 H new ATOM 0 HA LYS A 94 -3.513 9.952 -2.848 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -4.306 11.068 -0.778 1.00 0.83 H new ATOM 0 HB3 LYS A 94 -2.614 11.427 -1.061 1.00 0.83 H new ATOM 0 HG2 LYS A 94 -3.860 13.466 -2.494 1.00 0.70 H new ATOM 0 HG3 LYS A 94 -4.970 13.252 -1.154 1.00 0.70 H new ATOM 0 HD2 LYS A 94 -3.055 13.447 0.462 1.00 0.44 H new ATOM 0 HD3 LYS A 94 -1.947 13.665 -0.879 1.00 0.44 H new ATOM 0 HE2 LYS A 94 -2.663 15.858 0.111 1.00 0.67 H new ATOM 0 HE3 LYS A 94 -3.104 15.725 -1.580 1.00 0.67 H new ATOM 0 HZ1 LYS A 94 -4.899 16.562 -0.074 1.00 1.71 H new ATOM 0 HZ2 LYS A 94 -5.343 15.214 -1.007 1.00 1.71 H new ATOM 0 HZ3 LYS A 94 -4.964 15.022 0.637 1.00 1.71 H new ATOM 1451 N GLU A 95 -5.413 12.373 -3.941 1.00 0.78 N ATOM 1452 CA GLU A 95 -6.772 12.640 -4.477 1.00 0.77 C ATOM 1453 C GLU A 95 -7.163 11.547 -5.475 1.00 0.58 C ATOM 1454 O GLU A 95 -8.330 11.304 -5.708 1.00 0.46 O ATOM 1455 CB GLU A 95 -6.776 13.997 -5.177 1.00 0.98 C ATOM 1456 CG GLU A 95 -8.223 14.433 -5.413 1.00 1.25 C ATOM 1457 CD GLU A 95 -8.846 14.861 -4.083 1.00 0.83 C ATOM 1458 OE1 GLU A 95 -8.198 15.645 -3.408 1.00 1.21 O ATOM 1459 OE2 GLU A 95 -9.935 14.381 -3.816 1.00 2.15 O ATOM 0 H GLU A 95 -4.742 13.134 -4.046 1.00 0.78 H new ATOM 0 HA GLU A 95 -7.491 12.646 -3.657 1.00 0.77 H new ATOM 0 HB2 GLU A 95 -6.255 14.736 -4.568 1.00 0.98 H new ATOM 0 HB3 GLU A 95 -6.243 13.933 -6.126 1.00 0.98 H new ATOM 0 HG2 GLU A 95 -8.255 15.258 -6.125 1.00 1.25 H new ATOM 0 HG3 GLU A 95 -8.795 13.614 -5.849 1.00 1.25 H new ATOM 1466 N LYS A 96 -6.176 10.908 -6.039 1.00 0.60 N ATOM 1467 CA LYS A 96 -6.472 9.831 -7.026 1.00 0.47 C ATOM 1468 C LYS A 96 -6.815 8.524 -6.301 1.00 0.38 C ATOM 1469 O LYS A 96 -7.678 7.788 -6.729 1.00 0.32 O ATOM 1470 CB LYS A 96 -5.248 9.620 -7.920 1.00 0.62 C ATOM 1471 CG LYS A 96 -5.576 8.572 -8.991 1.00 0.61 C ATOM 1472 CD LYS A 96 -5.362 9.184 -10.380 1.00 0.79 C ATOM 1473 CE LYS A 96 -3.880 9.528 -10.560 1.00 1.06 C ATOM 1474 NZ LYS A 96 -3.711 10.983 -10.833 1.00 1.08 N ATOM 0 H LYS A 96 -5.187 11.082 -5.862 1.00 0.60 H new ATOM 0 HA LYS A 96 -7.327 10.126 -7.634 1.00 0.47 H new ATOM 0 HB2 LYS A 96 -4.961 10.560 -8.391 1.00 0.62 H new ATOM 0 HB3 LYS A 96 -4.399 9.291 -7.321 1.00 0.62 H new ATOM 0 HG2 LYS A 96 -4.941 7.695 -8.865 1.00 0.61 H new ATOM 0 HG3 LYS A 96 -6.607 8.236 -8.884 1.00 0.61 H new ATOM 0 HD2 LYS A 96 -5.681 8.483 -11.152 1.00 0.79 H new ATOM 0 HD3 LYS A 96 -5.971 10.081 -10.493 1.00 0.79 H new ATOM 0 HE2 LYS A 96 -3.325 9.254 -9.663 1.00 1.06 H new ATOM 0 HE3 LYS A 96 -3.463 8.947 -11.383 1.00 1.06 H new ATOM 0 HZ1 LYS A 96 -2.920 11.123 -11.494 1.00 1.08 H new ATOM 0 HZ2 LYS A 96 -4.584 11.361 -11.253 1.00 1.08 H new ATOM 0 HZ3 LYS A 96 -3.510 11.482 -9.943 1.00 1.08 H new ATOM 1488 N LEU A 97 -6.135 8.267 -5.214 1.00 0.37 N ATOM 1489 CA LEU A 97 -6.414 7.008 -4.455 1.00 0.30 C ATOM 1490 C LEU A 97 -7.922 6.795 -4.318 1.00 0.29 C ATOM 1491 O LEU A 97 -8.438 5.767 -4.682 1.00 0.25 O ATOM 1492 CB LEU A 97 -5.801 7.102 -3.055 1.00 0.30 C ATOM 1493 CG LEU A 97 -4.293 6.834 -3.122 1.00 0.34 C ATOM 1494 CD1 LEU A 97 -3.682 7.109 -1.749 1.00 0.47 C ATOM 1495 CD2 LEU A 97 -4.027 5.370 -3.499 1.00 0.48 C ATOM 0 H LEU A 97 -5.407 8.865 -4.822 1.00 0.37 H new ATOM 0 HA LEU A 97 -5.976 6.171 -4.999 1.00 0.30 H new ATOM 0 HB2 LEU A 97 -5.984 8.091 -2.635 1.00 0.30 H new ATOM 0 HB3 LEU A 97 -6.278 6.380 -2.391 1.00 0.30 H new ATOM 0 HG LEU A 97 -3.848 7.483 -3.877 1.00 0.34 H new ATOM 0 HD11 LEU A 97 -2.609 6.922 -1.784 1.00 0.47 H new ATOM 0 HD12 LEU A 97 -3.860 8.148 -1.473 1.00 0.47 H new ATOM 0 HD13 LEU A 97 -4.141 6.453 -1.009 1.00 0.47 H new ATOM 0 HD21 LEU A 97 -2.952 5.195 -3.543 1.00 0.48 H new ATOM 0 HD22 LEU A 97 -4.471 4.715 -2.750 1.00 0.48 H new ATOM 0 HD23 LEU A 97 -4.469 5.159 -4.473 1.00 0.48 H new ATOM 1507 N GLU A 98 -8.591 7.778 -3.787 1.00 0.34 N ATOM 1508 CA GLU A 98 -10.068 7.651 -3.609 1.00 0.35 C ATOM 1509 C GLU A 98 -10.715 7.057 -4.858 1.00 0.30 C ATOM 1510 O GLU A 98 -11.122 5.912 -4.869 1.00 0.26 O ATOM 1511 CB GLU A 98 -10.657 9.035 -3.346 1.00 0.46 C ATOM 1512 CG GLU A 98 -12.181 8.924 -3.272 1.00 0.64 C ATOM 1513 CD GLU A 98 -12.735 10.089 -2.450 1.00 0.77 C ATOM 1514 OE1 GLU A 98 -12.844 11.156 -3.030 1.00 1.80 O ATOM 1515 OE2 GLU A 98 -13.018 9.845 -1.289 1.00 0.79 O ATOM 0 H GLU A 98 -8.186 8.659 -3.470 1.00 0.34 H new ATOM 0 HA GLU A 98 -10.266 6.988 -2.767 1.00 0.35 H new ATOM 0 HB2 GLU A 98 -10.264 9.440 -2.414 1.00 0.46 H new ATOM 0 HB3 GLU A 98 -10.368 9.724 -4.140 1.00 0.46 H new ATOM 0 HG2 GLU A 98 -12.607 8.937 -4.275 1.00 0.64 H new ATOM 0 HG3 GLU A 98 -12.466 7.975 -2.817 1.00 0.64 H new ATOM 1522 N ALA A 99 -10.792 7.848 -5.879 1.00 0.32 N ATOM 1523 CA ALA A 99 -11.425 7.362 -7.141 1.00 0.29 C ATOM 1524 C ALA A 99 -10.794 6.040 -7.586 1.00 0.26 C ATOM 1525 O ALA A 99 -11.462 5.190 -8.142 1.00 0.35 O ATOM 1526 CB ALA A 99 -11.239 8.414 -8.234 1.00 0.32 C ATOM 0 H ALA A 99 -10.448 8.808 -5.903 1.00 0.32 H new ATOM 0 HA ALA A 99 -12.487 7.195 -6.963 1.00 0.29 H new ATOM 0 HB1 ALA A 99 -11.699 8.064 -9.158 1.00 0.32 H new ATOM 0 HB2 ALA A 99 -11.710 9.347 -7.925 1.00 0.32 H new ATOM 0 HB3 ALA A 99 -10.175 8.582 -8.400 1.00 0.32 H new ATOM 1532 N THR A 100 -9.524 5.891 -7.337 1.00 0.16 N ATOM 1533 CA THR A 100 -8.850 4.625 -7.745 1.00 0.14 C ATOM 1534 C THR A 100 -9.462 3.446 -6.989 1.00 0.12 C ATOM 1535 O THR A 100 -9.733 2.411 -7.562 1.00 0.13 O ATOM 1536 CB THR A 100 -7.357 4.717 -7.435 1.00 0.14 C ATOM 1537 OG1 THR A 100 -6.939 5.950 -8.013 1.00 0.23 O ATOM 1538 CG2 THR A 100 -6.569 3.636 -8.173 1.00 0.15 C ATOM 0 H THR A 100 -8.929 6.579 -6.875 1.00 0.16 H new ATOM 0 HA THR A 100 -8.988 4.473 -8.816 1.00 0.14 H new ATOM 0 HB THR A 100 -7.192 4.621 -6.362 1.00 0.14 H new ATOM 0 HG1 THR A 100 -7.273 6.695 -7.471 1.00 0.23 H new ATOM 0 HG21 THR A 100 -5.510 3.729 -7.931 1.00 0.15 H new ATOM 0 HG22 THR A 100 -6.926 2.653 -7.867 1.00 0.15 H new ATOM 0 HG23 THR A 100 -6.708 3.754 -9.248 1.00 0.15 H new ATOM 1546 N ILE A 101 -9.666 3.626 -5.715 1.00 0.10 N ATOM 1547 CA ILE A 101 -10.273 2.530 -4.918 1.00 0.08 C ATOM 1548 C ILE A 101 -11.660 2.243 -5.457 1.00 0.06 C ATOM 1549 O ILE A 101 -12.049 1.104 -5.623 1.00 0.08 O ATOM 1550 CB ILE A 101 -10.362 2.964 -3.451 1.00 0.12 C ATOM 1551 CG1 ILE A 101 -9.046 2.625 -2.743 1.00 0.08 C ATOM 1552 CG2 ILE A 101 -11.512 2.220 -2.766 1.00 0.17 C ATOM 1553 CD1 ILE A 101 -8.798 3.645 -1.630 1.00 0.50 C ATOM 0 H ILE A 101 -9.441 4.475 -5.197 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.662 1.630 -4.988 1.00 0.08 H new ATOM 0 HB ILE A 101 -10.542 4.038 -3.399 1.00 0.12 H new ATOM 0 HG12 ILE A 101 -9.091 1.618 -2.327 1.00 0.08 H new ATOM 0 HG13 ILE A 101 -8.221 2.638 -3.456 1.00 0.08 H new ATOM 0 HG21 ILE A 101 -11.575 2.529 -1.723 1.00 0.17 H new ATOM 0 HG22 ILE A 101 -12.449 2.454 -3.271 1.00 0.17 H new ATOM 0 HG23 ILE A 101 -11.332 1.146 -2.816 1.00 0.17 H new ATOM 0 HD11 ILE A 101 -7.863 3.409 -1.122 1.00 0.50 H new ATOM 0 HD12 ILE A 101 -8.735 4.645 -2.060 1.00 0.50 H new ATOM 0 HD13 ILE A 101 -9.619 3.609 -0.914 1.00 0.50 H new ATOM 1565 N ASN A 102 -12.376 3.287 -5.722 1.00 0.05 N ATOM 1566 CA ASN A 102 -13.739 3.108 -6.270 1.00 0.07 C ATOM 1567 C ASN A 102 -13.637 2.413 -7.625 1.00 0.07 C ATOM 1568 O ASN A 102 -14.620 1.952 -8.170 1.00 0.08 O ATOM 1569 CB ASN A 102 -14.399 4.478 -6.431 1.00 0.13 C ATOM 1570 CG ASN A 102 -15.185 4.514 -7.740 1.00 1.15 C ATOM 1571 OD1 ASN A 102 -16.400 4.478 -7.749 1.00 1.30 O ATOM 1572 ND2 ASN A 102 -14.533 4.584 -8.867 1.00 2.61 N ATOM 0 H ASN A 102 -12.080 4.253 -5.584 1.00 0.05 H new ATOM 0 HA ASN A 102 -14.342 2.500 -5.595 1.00 0.07 H new ATOM 0 HB2 ASN A 102 -15.064 4.674 -5.590 1.00 0.13 H new ATOM 0 HB3 ASN A 102 -13.641 5.261 -6.428 1.00 0.13 H new ATOM 0 HD21 ASN A 102 -15.043 4.608 -9.750 1.00 2.61 H new ATOM 0 HD22 ASN A 102 -13.513 4.614 -8.865 1.00 2.61 H new ATOM 1579 N GLU A 103 -12.435 2.356 -8.142 1.00 0.08 N ATOM 1580 CA GLU A 103 -12.234 1.698 -9.461 1.00 0.11 C ATOM 1581 C GLU A 103 -12.280 0.174 -9.316 1.00 0.11 C ATOM 1582 O GLU A 103 -12.952 -0.500 -10.072 1.00 0.12 O ATOM 1583 CB GLU A 103 -10.872 2.111 -10.018 1.00 0.15 C ATOM 1584 CG GLU A 103 -10.922 2.070 -11.548 1.00 0.24 C ATOM 1585 CD GLU A 103 -11.747 3.253 -12.060 1.00 1.47 C ATOM 1586 OE1 GLU A 103 -11.328 4.364 -11.783 1.00 1.95 O ATOM 1587 OE2 GLU A 103 -12.748 2.977 -12.699 1.00 2.40 O ATOM 0 H GLU A 103 -11.593 2.735 -7.709 1.00 0.08 H new ATOM 0 HA GLU A 103 -13.030 2.008 -10.138 1.00 0.11 H new ATOM 0 HB2 GLU A 103 -10.615 3.114 -9.677 1.00 0.15 H new ATOM 0 HB3 GLU A 103 -10.096 1.440 -9.649 1.00 0.15 H new ATOM 0 HG2 GLU A 103 -9.913 2.112 -11.957 1.00 0.24 H new ATOM 0 HG3 GLU A 103 -11.364 1.132 -11.884 1.00 0.24 H new ATOM 1594 N LEU A 104 -11.561 -0.341 -8.349 1.00 0.11 N ATOM 1595 CA LEU A 104 -11.547 -1.826 -8.165 1.00 0.14 C ATOM 1596 C LEU A 104 -12.561 -2.261 -7.101 1.00 0.20 C ATOM 1597 O LEU A 104 -12.818 -3.436 -6.938 1.00 0.36 O ATOM 1598 CB LEU A 104 -10.145 -2.271 -7.737 1.00 0.11 C ATOM 1599 CG LEU A 104 -9.092 -1.563 -8.599 1.00 0.20 C ATOM 1600 CD1 LEU A 104 -7.726 -2.202 -8.343 1.00 0.19 C ATOM 1601 CD2 LEU A 104 -9.450 -1.727 -10.081 1.00 0.30 C ATOM 0 H LEU A 104 -10.993 0.191 -7.690 1.00 0.11 H new ATOM 0 HA LEU A 104 -11.819 -2.292 -9.112 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -9.984 -2.037 -6.685 1.00 0.11 H new ATOM 0 HB3 LEU A 104 -10.048 -3.352 -7.842 1.00 0.11 H new ATOM 0 HG LEU A 104 -9.063 -0.504 -8.344 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -6.972 -1.704 -8.952 1.00 0.19 H new ATOM 0 HD12 LEU A 104 -7.468 -2.098 -7.289 1.00 0.19 H new ATOM 0 HD13 LEU A 104 -7.764 -3.259 -8.605 1.00 0.19 H new ATOM 0 HD21 LEU A 104 -8.702 -1.224 -10.694 1.00 0.30 H new ATOM 0 HD22 LEU A 104 -9.474 -2.787 -10.334 1.00 0.30 H new ATOM 0 HD23 LEU A 104 -10.429 -1.287 -10.270 1.00 0.30 H new ATOM 1613 N VAL A 105 -13.120 -1.312 -6.403 1.00 0.12 N ATOM 1614 CA VAL A 105 -14.112 -1.683 -5.349 1.00 0.20 C ATOM 1615 C VAL A 105 -15.150 -2.653 -5.923 1.00 0.36 C ATOM 1616 O VAL A 105 -15.295 -2.634 -7.133 1.00 1.38 O ATOM 1617 CB VAL A 105 -14.812 -0.421 -4.844 1.00 0.10 C ATOM 1618 CG1 VAL A 105 -15.868 0.016 -5.863 1.00 0.10 C ATOM 1619 CG2 VAL A 105 -15.496 -0.727 -3.509 1.00 0.11 C ATOM 1620 OXT VAL A 105 -15.737 -3.357 -5.117 1.00 0.70 O ATOM 0 H VAL A 105 -12.940 -0.314 -6.511 1.00 0.12 H new ATOM 0 HA VAL A 105 -13.593 -2.169 -4.523 1.00 0.20 H new ATOM 0 HB VAL A 105 -14.081 0.376 -4.711 1.00 0.10 H new ATOM 0 HG11 VAL A 105 -16.369 0.916 -5.505 1.00 0.10 H new ATOM 0 HG12 VAL A 105 -15.387 0.224 -6.819 1.00 0.10 H new ATOM 0 HG13 VAL A 105 -16.601 -0.780 -5.991 1.00 0.10 H new ATOM 0 HG21 VAL A 105 -15.997 0.169 -3.143 1.00 0.11 H new ATOM 0 HG22 VAL A 105 -16.229 -1.521 -3.649 1.00 0.11 H new ATOM 0 HG23 VAL A 105 -14.749 -1.047 -2.782 1.00 0.11 H new TER 1630 VAL A 105