USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 908 hydrogens (13 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 118 ALY H2 : A 118 ALY N : A 117 ALA C :(H bumps) USER MOD Set 1.1: A 115 TYR OH : rot -37:sc= 0.465 USER MOD Set 1.2: A 116 ASN : amide:sc= -0.452 K(o=-1.6,f=-3.8!) USER MOD Set 1.3: A 119 HIS : no HE2:sc= -1.66 K(o=-1.6,f=-3.5) USER MOD Set 2.1: A 5 TYR OH : rot 43:sc= -1.81! USER MOD Set 2.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 7 ASN :FLIP amide:sc= -0.372 F(o=-0.97,f=-0.31) USER MOD Set 3.2: A 10 THR OG1 : rot -168:sc= 0.0656 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 73:sc= -0.919 USER MOD Single : A 14 GLN : amide:sc= -3.35 X(o=-3.4,f=-3.5!) USER MOD Single : A 18 MET CE :methyl -143:sc= -0.311 (180deg=-1.87!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 72:sc= -0.342! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 40 MET CE :methyl 150:sc= -5.64! (180deg=-9.63!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.66) USER MOD Single : A 62 SER OG : rot 180:sc= -0.978! USER MOD Single : A 70 ASN : amide:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A 73 SER OG : rot -68:sc= 0.186 USER MOD Single : A 76 LYS NZ :NH3+ -174:sc=-0.00299 (180deg=-0.00918) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.2!) USER MOD Single : A 86 GLN : amide:sc= -0.0492 X(o=-0.049,f=-0.042) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -115:sc= -0.661 (180deg=-1.88) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -7:sc= 0.0234 USER MOD Single : A 112 LYS NZ :NH3+ -175:sc= 0.369 (180deg=0.355) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN :FLIP amide:sc= -0.562 F(o=-1.4,f=-0.56) USER MOD Single : A 125 ASN : amide:sc= -0.0565 K(o=-0.056,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -19.982 -14.693 13.614 1.00 3.92 N ATOM 2 CA PRO A 1 -18.680 -15.016 12.971 1.00 3.44 C ATOM 3 C PRO A 1 -17.702 -13.851 13.140 1.00 3.50 C ATOM 4 O PRO A 1 -17.156 -13.342 12.181 1.00 4.94 O ATOM 5 CB PRO A 1 -19.036 -15.213 11.502 1.00 2.00 C ATOM 6 CG PRO A 1 -20.285 -14.421 11.301 1.00 4.99 C ATOM 7 CD PRO A 1 -21.021 -14.421 12.616 1.00 3.38 C ATOM 0 H2 PRO A 1 -19.871 -13.881 14.221 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.273 -15.471 14.206 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.196 -15.891 13.405 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -18.236 -14.861 10.851 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -19.195 -16.266 11.272 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -20.051 -13.403 10.990 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -20.899 -14.861 10.515 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -21.507 -13.463 12.799 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.800 -15.183 12.635 1.00 3.38 H new ATOM 17 N THR A 2 -17.480 -13.425 14.351 1.00 3.08 N ATOM 18 CA THR A 2 -16.541 -12.290 14.581 1.00 2.08 C ATOM 19 C THR A 2 -15.419 -12.708 15.534 1.00 2.52 C ATOM 20 O THR A 2 -15.634 -13.437 16.482 1.00 2.28 O ATOM 21 CB THR A 2 -17.399 -11.192 15.212 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.762 -11.405 14.875 1.00 3.73 O ATOM 23 CG2 THR A 2 -16.950 -9.826 14.690 1.00 3.09 C ATOM 0 H THR A 2 -17.907 -13.813 15.192 1.00 3.08 H new ATOM 0 HA THR A 2 -16.062 -11.959 13.659 1.00 2.08 H new ATOM 0 HB THR A 2 -17.284 -11.220 16.296 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.313 -10.703 15.280 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.562 -9.045 15.141 1.00 3.09 H new ATOM 0 HG22 THR A 2 -15.904 -9.663 14.951 1.00 3.09 H new ATOM 0 HG23 THR A 2 -17.063 -9.796 13.606 1.00 3.09 H new ATOM 31 N VAL A 3 -14.223 -12.245 15.292 1.00 10.00 N ATOM 32 CA VAL A 3 -13.082 -12.606 16.183 1.00 10.00 C ATOM 33 C VAL A 3 -12.139 -11.410 16.325 1.00 10.00 C ATOM 34 O VAL A 3 -11.576 -10.934 15.362 1.00 10.00 O ATOM 35 CB VAL A 3 -12.383 -13.772 15.482 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.755 -13.289 14.174 1.00 10.00 C ATOM 37 CG2 VAL A 3 -11.288 -14.332 16.394 1.00 10.00 C ATOM 0 H VAL A 3 -13.986 -11.630 14.513 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.404 -12.879 17.188 1.00 10.00 H new ATOM 0 HB VAL A 3 -13.114 -14.551 15.265 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -11.258 -14.124 13.679 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -12.533 -12.891 13.522 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.026 -12.508 14.387 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -10.789 -15.163 15.896 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -10.561 -13.550 16.612 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -11.734 -14.682 17.325 1.00 10.00 H new ATOM 47 N GLU A 4 -11.971 -10.912 17.519 1.00 10.00 N ATOM 48 CA GLU A 4 -11.073 -9.736 17.713 1.00 10.00 C ATOM 49 C GLU A 4 -9.609 -10.174 17.811 1.00 10.00 C ATOM 50 O GLU A 4 -9.185 -10.745 18.797 1.00 10.00 O ATOM 51 CB GLU A 4 -11.526 -9.092 19.024 1.00 50.00 C ATOM 52 CG GLU A 4 -11.608 -10.156 20.121 1.00 50.00 C ATOM 53 CD GLU A 4 -13.056 -10.283 20.598 1.00 50.00 C ATOM 54 OE1 GLU A 4 -13.472 -9.458 21.393 1.00 50.00 O ATOM 55 OE2 GLU A 4 -13.724 -11.206 20.159 1.00 50.00 O ATOM 0 H GLU A 4 -12.414 -11.266 18.367 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.135 -9.043 16.874 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -10.827 -8.308 19.316 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -12.498 -8.618 18.890 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -11.253 -11.114 19.741 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -10.961 -9.885 20.955 1.00 50.00 H new ATOM 62 N TYR A 5 -8.829 -9.896 16.799 1.00 10.00 N ATOM 63 CA TYR A 5 -7.388 -10.281 16.845 1.00 10.00 C ATOM 64 C TYR A 5 -6.585 -9.184 17.555 1.00 10.00 C ATOM 65 O TYR A 5 -6.811 -8.008 17.349 1.00 10.00 O ATOM 66 CB TYR A 5 -6.958 -10.405 15.382 1.00 10.00 C ATOM 67 CG TYR A 5 -7.068 -9.061 14.704 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.040 -8.121 14.841 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.200 -8.754 13.938 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.142 -6.875 14.210 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.302 -7.508 13.308 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.272 -6.569 13.445 1.00 50.00 C ATOM 73 OH TYR A 5 -7.374 -5.340 12.823 1.00 50.00 O ATOM 0 H TYR A 5 -9.126 -9.421 15.947 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.220 -11.210 17.391 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.932 -10.770 15.324 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.585 -11.134 14.869 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.168 -8.357 15.433 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -8.994 -9.479 13.833 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -5.348 -6.150 14.314 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.174 -7.271 12.717 1.00 50.00 H new ATOM 0 HH TYR A 5 -6.514 -5.108 12.415 1.00 50.00 H new ATOM 83 N LEU A 6 -5.657 -9.557 18.395 1.00 10.00 N ATOM 84 CA LEU A 6 -4.853 -8.527 19.121 1.00 10.00 C ATOM 85 C LEU A 6 -3.353 -8.780 18.929 1.00 10.00 C ATOM 86 O LEU A 6 -2.919 -9.900 18.755 1.00 10.00 O ATOM 87 CB LEU A 6 -5.237 -8.696 20.592 1.00 12.50 C ATOM 88 CG LEU A 6 -5.655 -7.343 21.171 1.00 12.50 C ATOM 89 CD1 LEU A 6 -5.959 -7.501 22.662 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.518 -6.335 20.987 1.00 50.00 C ATOM 0 H LEU A 6 -5.420 -10.525 18.610 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.051 -7.520 18.755 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.054 -9.411 20.685 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.395 -9.099 21.154 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.545 -6.985 20.653 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.257 -6.538 23.077 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.768 -8.219 22.794 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.069 -7.859 23.179 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.816 -5.371 21.400 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.628 -6.692 21.505 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.299 -6.223 19.925 1.00 50.00 H new ATOM 102 N ASN A 7 -2.560 -7.741 18.960 1.00 10.00 N ATOM 103 CA ASN A 7 -1.089 -7.913 18.780 1.00 10.00 C ATOM 104 C ASN A 7 -0.446 -8.466 20.055 1.00 10.00 C ATOM 105 O ASN A 7 -0.587 -7.907 21.126 1.00 10.00 O ATOM 106 CB ASN A 7 -0.561 -6.507 18.496 1.00 10.00 C ATOM 107 CG ASN A 7 0.965 -6.545 18.406 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.551 -7.620 17.958 1.00 12.50 O flip ATOM 109 ND2 ASN A 7 1.629 -5.586 18.744 1.00 12.50 N flip ATOM 0 H ASN A 7 -2.869 -6.779 19.102 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.859 -8.616 17.979 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -0.982 -6.130 17.564 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.873 -5.823 19.286 1.00 10.00 H new ATOM 0 HD21 ASN A 7 1.169 -4.745 19.094 1.00 12.50 H new ATOM 0 HD22 ASN A 7 2.646 -5.621 18.678 1.00 12.50 H new ATOM 116 N TYR A 8 0.268 -9.551 19.945 1.00 50.00 N ATOM 117 CA TYR A 8 0.928 -10.132 21.149 1.00 50.00 C ATOM 118 C TYR A 8 1.964 -9.151 21.701 1.00 50.00 C ATOM 119 O TYR A 8 2.120 -9.003 22.897 1.00 50.00 O ATOM 120 CB TYR A 8 1.612 -11.404 20.651 1.00 50.00 C ATOM 121 CG TYR A 8 2.581 -11.898 21.698 1.00 50.00 C ATOM 122 CD1 TYR A 8 3.894 -11.416 21.721 1.00 50.00 C ATOM 123 CD2 TYR A 8 2.164 -12.841 22.646 1.00 50.00 C ATOM 124 CE1 TYR A 8 4.792 -11.875 22.693 1.00 50.00 C ATOM 125 CE2 TYR A 8 3.062 -13.299 23.618 1.00 50.00 C ATOM 126 CZ TYR A 8 4.377 -12.817 23.641 1.00 50.00 C ATOM 127 OH TYR A 8 5.261 -13.270 24.598 1.00 50.00 O ATOM 0 H TYR A 8 0.424 -10.061 19.075 1.00 50.00 H new ATOM 0 HA TYR A 8 0.220 -10.338 21.951 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.867 -12.171 20.439 1.00 50.00 H new ATOM 0 HB3 TYR A 8 2.139 -11.205 19.718 1.00 50.00 H new ATOM 0 HD1 TYR A 8 4.215 -10.690 20.989 1.00 50.00 H new ATOM 0 HD2 TYR A 8 1.151 -13.215 22.627 1.00 50.00 H new ATOM 0 HE1 TYR A 8 5.805 -11.502 22.711 1.00 50.00 H new ATOM 0 HE2 TYR A 8 2.740 -14.024 24.351 1.00 50.00 H new ATOM 0 HH TYR A 8 5.417 -12.564 25.259 1.00 50.00 H new ATOM 137 N GLU A 9 2.674 -8.481 20.836 1.00 25.00 N ATOM 138 CA GLU A 9 3.702 -7.508 21.307 1.00 25.00 C ATOM 139 C GLU A 9 3.029 -6.336 22.026 1.00 25.00 C ATOM 140 O GLU A 9 3.623 -5.688 22.863 1.00 25.00 O ATOM 141 CB GLU A 9 4.407 -7.029 20.037 1.00 50.00 C ATOM 142 CG GLU A 9 5.517 -8.014 19.667 1.00 50.00 C ATOM 143 CD GLU A 9 6.788 -7.667 20.445 1.00 50.00 C ATOM 144 OE1 GLU A 9 6.817 -7.921 21.638 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.712 -7.155 19.835 1.00 50.00 O ATOM 0 H GLU A 9 2.588 -8.565 19.823 1.00 25.00 H new ATOM 0 HA GLU A 9 4.401 -7.954 22.015 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.691 -6.948 19.219 1.00 50.00 H new ATOM 0 HB3 GLU A 9 4.826 -6.035 20.194 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.205 -9.033 19.896 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.711 -7.973 18.595 1.00 50.00 H new ATOM 152 N THR A 10 1.794 -6.060 21.706 1.00 50.00 N ATOM 153 CA THR A 10 1.089 -4.931 22.379 1.00 50.00 C ATOM 154 C THR A 10 0.783 -5.300 23.833 1.00 50.00 C ATOM 155 O THR A 10 0.815 -4.466 24.716 1.00 50.00 O ATOM 156 CB THR A 10 -0.204 -4.738 21.588 1.00 50.00 C ATOM 157 OG1 THR A 10 0.088 -4.091 20.358 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.178 -3.882 22.399 1.00 50.00 C ATOM 0 H THR A 10 1.244 -6.565 21.011 1.00 50.00 H new ATOM 0 HA THR A 10 1.688 -4.021 22.399 1.00 50.00 H new ATOM 0 HB THR A 10 -0.657 -5.709 21.389 1.00 50.00 H new ATOM 0 HG1 THR A 10 -0.747 -3.796 19.937 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.100 -3.745 21.834 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.402 -4.380 23.342 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.728 -2.910 22.600 1.00 50.00 H new ATOM 166 N LEU A 11 0.492 -6.546 24.086 1.00 50.00 N ATOM 167 CA LEU A 11 0.189 -6.974 25.482 1.00 50.00 C ATOM 168 C LEU A 11 1.444 -6.856 26.350 1.00 50.00 C ATOM 169 O LEU A 11 1.398 -6.374 27.465 1.00 50.00 O ATOM 170 CB LEU A 11 -0.252 -8.435 25.355 1.00 50.00 C ATOM 171 CG LEU A 11 -0.150 -9.126 26.716 1.00 50.00 C ATOM 172 CD1 LEU A 11 -0.968 -8.349 27.750 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.694 -10.552 26.602 1.00 50.00 C ATOM 0 H LEU A 11 0.451 -7.287 23.387 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.578 -6.359 25.953 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.277 -8.485 24.987 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.373 -8.951 24.627 1.00 50.00 H new ATOM 0 HG LEU A 11 0.893 -9.156 27.031 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -0.894 -8.843 28.719 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.582 -7.333 27.831 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -2.012 -8.317 27.438 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -0.623 -11.047 27.570 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -1.737 -10.519 26.287 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.110 -11.106 25.867 1.00 50.00 H new ATOM 185 N ASP A 12 2.569 -7.289 25.847 1.00 50.00 N ATOM 186 CA ASP A 12 3.826 -7.197 26.644 1.00 50.00 C ATOM 187 C ASP A 12 4.309 -5.745 26.697 1.00 50.00 C ATOM 188 O ASP A 12 4.616 -5.221 27.750 1.00 50.00 O ATOM 189 CB ASP A 12 4.835 -8.069 25.896 1.00 50.00 C ATOM 190 CG ASP A 12 5.121 -9.333 26.710 1.00 50.00 C ATOM 191 OD1 ASP A 12 5.380 -9.204 27.895 1.00 50.00 O ATOM 192 OD2 ASP A 12 5.075 -10.408 26.134 1.00 50.00 O ATOM 0 H ASP A 12 2.672 -7.702 24.920 1.00 50.00 H new ATOM 0 HA ASP A 12 3.688 -7.526 27.674 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.443 -8.337 24.915 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.758 -7.514 25.730 1.00 50.00 H new ATOM 197 N ASP A 13 4.377 -5.091 25.569 1.00 50.00 N ATOM 198 CA ASP A 13 4.837 -3.673 25.554 1.00 50.00 C ATOM 199 C ASP A 13 4.002 -2.838 26.529 1.00 50.00 C ATOM 200 O ASP A 13 4.525 -2.198 27.419 1.00 50.00 O ATOM 201 CB ASP A 13 4.614 -3.202 24.117 1.00 50.00 C ATOM 202 CG ASP A 13 5.547 -2.027 23.814 1.00 50.00 C ATOM 203 OD1 ASP A 13 5.700 -1.180 24.678 1.00 50.00 O ATOM 204 OD2 ASP A 13 6.092 -1.995 22.722 1.00 50.00 O ATOM 0 H ASP A 13 4.134 -5.478 24.657 1.00 50.00 H new ATOM 0 HA ASP A 13 5.878 -3.571 25.860 1.00 50.00 H new ATOM 0 HB2 ASP A 13 4.804 -4.020 23.422 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.576 -2.901 23.979 1.00 50.00 H new ATOM 209 N GLN A 14 2.708 -2.843 26.368 1.00 50.00 N ATOM 210 CA GLN A 14 1.841 -2.051 27.287 1.00 50.00 C ATOM 211 C GLN A 14 1.974 -2.575 28.719 1.00 50.00 C ATOM 212 O GLN A 14 1.890 -1.829 29.674 1.00 50.00 O ATOM 213 CB GLN A 14 0.418 -2.263 26.768 1.00 50.00 C ATOM 214 CG GLN A 14 0.200 -1.411 25.517 1.00 50.00 C ATOM 215 CD GLN A 14 -1.229 -0.863 25.516 1.00 50.00 C ATOM 216 OE1 GLN A 14 -2.165 -1.574 25.824 1.00 50.00 O ATOM 217 NE2 GLN A 14 -1.439 0.381 25.179 1.00 50.00 N ATOM 0 H GLN A 14 2.213 -3.360 25.641 1.00 50.00 H new ATOM 0 HA GLN A 14 2.114 -0.996 27.308 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.257 -3.316 26.537 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -0.305 -1.991 27.537 1.00 50.00 H new ATOM 0 HG2 GLN A 14 0.916 -0.589 25.494 1.00 50.00 H new ATOM 0 HG3 GLN A 14 0.372 -2.009 24.622 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -0.654 0.979 24.920 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -2.388 0.755 25.175 1.00 50.00 H new ATOM 226 N GLY A 15 2.181 -3.854 28.874 1.00 50.00 N ATOM 227 CA GLY A 15 2.320 -4.426 30.242 1.00 50.00 C ATOM 228 C GLY A 15 0.933 -4.720 30.816 1.00 50.00 C ATOM 229 O GLY A 15 0.724 -4.673 32.012 1.00 50.00 O ATOM 0 H GLY A 15 2.260 -4.527 28.112 1.00 50.00 H new ATOM 0 HA2 GLY A 15 2.912 -5.341 30.207 1.00 50.00 H new ATOM 0 HA3 GLY A 15 2.852 -3.727 30.888 1.00 50.00 H new ATOM 233 N TRP A 16 -0.017 -5.023 29.973 1.00 50.00 N ATOM 234 CA TRP A 16 -1.391 -5.319 30.474 1.00 50.00 C ATOM 235 C TRP A 16 -1.535 -6.812 30.777 1.00 50.00 C ATOM 236 O TRP A 16 -0.608 -7.580 30.616 1.00 50.00 O ATOM 237 CB TRP A 16 -2.327 -4.910 29.335 1.00 50.00 C ATOM 238 CG TRP A 16 -2.450 -3.419 29.301 1.00 50.00 C ATOM 239 CD1 TRP A 16 -1.804 -2.566 30.128 1.00 50.00 C ATOM 240 CD2 TRP A 16 -3.255 -2.594 28.409 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.162 -1.270 29.802 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.054 -1.236 28.749 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.131 -2.891 27.350 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.700 -0.207 28.062 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.783 -1.858 26.656 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.567 -0.519 27.011 1.00 50.00 C ATOM 0 H TRP A 16 0.098 -5.078 28.961 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.616 -4.785 31.397 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.941 -5.275 28.384 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.308 -5.363 29.476 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -1.120 -2.850 30.914 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -1.810 -0.441 30.281 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -4.304 -3.919 27.068 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.531 0.823 28.340 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.454 -2.097 25.844 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -5.070 0.271 26.473 1.00 50.00 H new ATOM 257 N ASP A 17 -2.692 -7.229 31.218 1.00 50.00 N ATOM 258 CA ASP A 17 -2.894 -8.671 31.533 1.00 50.00 C ATOM 259 C ASP A 17 -3.576 -9.380 30.359 1.00 50.00 C ATOM 260 O ASP A 17 -3.816 -8.794 29.322 1.00 50.00 O ATOM 261 CB ASP A 17 -3.798 -8.682 32.766 1.00 50.00 C ATOM 262 CG ASP A 17 -3.110 -7.929 33.906 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.601 -6.850 33.655 1.00 50.00 O ATOM 264 OD2 ASP A 17 -3.104 -8.445 35.012 1.00 50.00 O ATOM 0 H ASP A 17 -3.505 -6.633 31.373 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.953 -9.191 31.712 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -4.755 -8.216 32.533 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -4.008 -9.708 33.068 1.00 50.00 H new ATOM 269 N MET A 18 -3.889 -10.638 30.515 1.00 50.00 N ATOM 270 CA MET A 18 -4.553 -11.384 29.408 1.00 50.00 C ATOM 271 C MET A 18 -6.029 -10.993 29.316 1.00 50.00 C ATOM 272 O MET A 18 -6.569 -10.820 28.240 1.00 50.00 O ATOM 273 CB MET A 18 -4.412 -12.860 29.785 1.00 50.00 C ATOM 274 CG MET A 18 -3.405 -13.530 28.849 1.00 50.00 C ATOM 275 SD MET A 18 -4.220 -14.869 27.944 1.00 50.00 S ATOM 276 CE MET A 18 -4.801 -15.798 29.383 1.00 50.00 C ATOM 0 H MET A 18 -3.714 -11.181 31.361 1.00 50.00 H new ATOM 0 HA MET A 18 -4.107 -11.166 28.438 1.00 50.00 H new ATOM 0 HB2 MET A 18 -4.081 -12.952 30.819 1.00 50.00 H new ATOM 0 HB3 MET A 18 -5.379 -13.359 29.714 1.00 50.00 H new ATOM 0 HG2 MET A 18 -3.000 -12.798 28.150 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.565 -13.923 29.422 1.00 50.00 H new ATOM 0 HE1 MET A 18 -4.730 -16.866 29.179 1.00 50.00 H new ATOM 0 HE2 MET A 18 -4.185 -15.551 30.248 1.00 50.00 H new ATOM 0 HE3 MET A 18 -5.839 -15.537 29.590 1.00 50.00 H new ATOM 286 N ASP A 19 -6.688 -10.852 30.433 1.00 50.00 N ATOM 287 CA ASP A 19 -8.130 -10.474 30.405 1.00 50.00 C ATOM 288 C ASP A 19 -8.434 -9.428 31.484 1.00 50.00 C ATOM 289 O ASP A 19 -9.566 -9.032 31.675 1.00 50.00 O ATOM 290 CB ASP A 19 -8.883 -11.773 30.692 1.00 50.00 C ATOM 291 CG ASP A 19 -8.241 -12.478 31.888 1.00 50.00 C ATOM 292 OD1 ASP A 19 -7.279 -13.199 31.680 1.00 50.00 O ATOM 293 OD2 ASP A 19 -8.721 -12.283 32.992 1.00 50.00 O ATOM 0 H ASP A 19 -6.291 -10.982 31.364 1.00 50.00 H new ATOM 0 HA ASP A 19 -8.419 -10.033 29.451 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -9.931 -11.560 30.901 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -8.858 -12.422 29.817 1.00 50.00 H new ATOM 298 N ASP A 20 -7.433 -8.983 32.195 1.00 50.00 N ATOM 299 CA ASP A 20 -7.672 -7.967 33.261 1.00 50.00 C ATOM 300 C ASP A 20 -7.793 -6.569 32.649 1.00 50.00 C ATOM 301 O ASP A 20 -8.722 -5.836 32.929 1.00 50.00 O ATOM 302 CB ASP A 20 -6.445 -8.049 34.169 1.00 50.00 C ATOM 303 CG ASP A 20 -6.883 -7.936 35.630 1.00 50.00 C ATOM 304 OD1 ASP A 20 -7.661 -8.771 36.061 1.00 50.00 O ATOM 305 OD2 ASP A 20 -6.432 -7.018 36.294 1.00 50.00 O ATOM 0 H ASP A 20 -6.463 -9.278 32.085 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.597 -8.154 33.806 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.922 -8.991 34.007 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.745 -7.250 33.925 1.00 50.00 H new ATOM 310 N ASP A 21 -6.860 -6.190 31.820 1.00 50.00 N ATOM 311 CA ASP A 21 -6.921 -4.837 31.195 1.00 50.00 C ATOM 312 C ASP A 21 -7.899 -4.837 30.018 1.00 50.00 C ATOM 313 O ASP A 21 -8.068 -3.843 29.340 1.00 50.00 O ATOM 314 CB ASP A 21 -5.499 -4.558 30.707 1.00 50.00 C ATOM 315 CG ASP A 21 -4.659 -4.018 31.866 1.00 50.00 C ATOM 316 OD1 ASP A 21 -5.011 -2.975 32.392 1.00 50.00 O ATOM 317 OD2 ASP A 21 -3.677 -4.657 32.208 1.00 50.00 O ATOM 0 H ASP A 21 -6.058 -6.758 31.548 1.00 50.00 H new ATOM 0 HA ASP A 21 -7.268 -4.078 31.896 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -5.052 -5.471 30.314 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -5.518 -3.836 29.891 1.00 50.00 H new ATOM 322 N ASP A 22 -8.545 -5.943 29.770 1.00 50.00 N ATOM 323 CA ASP A 22 -9.511 -6.003 28.636 1.00 50.00 C ATOM 324 C ASP A 22 -8.924 -5.304 27.407 1.00 50.00 C ATOM 325 O ASP A 22 -9.528 -4.418 26.836 1.00 50.00 O ATOM 326 CB ASP A 22 -10.753 -5.264 29.135 1.00 50.00 C ATOM 327 CG ASP A 22 -11.321 -5.991 30.357 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.449 -7.203 30.294 1.00 50.00 O ATOM 329 OD2 ASP A 22 -11.617 -5.323 31.333 1.00 50.00 O ATOM 0 H ASP A 22 -8.446 -6.807 30.303 1.00 50.00 H new ATOM 0 HA ASP A 22 -9.740 -7.027 28.339 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.498 -4.237 29.395 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.503 -5.216 28.345 1.00 50.00 H new ATOM 334 N LEU A 23 -7.750 -5.698 26.999 1.00 50.00 N ATOM 335 CA LEU A 23 -7.117 -5.060 25.808 1.00 50.00 C ATOM 336 C LEU A 23 -8.138 -4.920 24.676 1.00 50.00 C ATOM 337 O LEU A 23 -8.290 -3.867 24.091 1.00 50.00 O ATOM 338 CB LEU A 23 -5.990 -6.009 25.401 1.00 50.00 C ATOM 339 CG LEU A 23 -5.109 -6.304 26.616 1.00 50.00 C ATOM 340 CD1 LEU A 23 -5.377 -7.729 27.105 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.636 -6.167 26.224 1.00 50.00 C ATOM 0 H LEU A 23 -7.200 -6.436 27.439 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.747 -4.058 26.025 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -6.405 -6.936 25.006 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.393 -5.562 24.605 1.00 50.00 H new ATOM 0 HG LEU A 23 -5.339 -5.597 27.413 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.750 -7.941 27.971 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -6.426 -7.827 27.384 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -5.146 -8.436 26.308 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -3.008 -6.377 27.090 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.404 -6.874 25.427 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.445 -5.152 25.875 1.00 50.00 H new ATOM 353 N PHE A 24 -8.840 -5.975 24.365 1.00 50.00 N ATOM 354 CA PHE A 24 -9.853 -5.899 23.273 1.00 50.00 C ATOM 355 C PHE A 24 -10.835 -4.763 23.553 1.00 50.00 C ATOM 356 O PHE A 24 -11.492 -4.260 22.663 1.00 50.00 O ATOM 357 CB PHE A 24 -10.570 -7.249 23.299 1.00 50.00 C ATOM 358 CG PHE A 24 -9.658 -8.315 22.741 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.236 -8.246 21.408 1.00 50.00 C ATOM 360 CD2 PHE A 24 -9.235 -9.372 23.555 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.391 -9.234 20.889 1.00 50.00 C ATOM 362 CE2 PHE A 24 -8.389 -10.360 23.037 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.967 -10.290 21.703 1.00 50.00 C ATOM 0 H PHE A 24 -8.757 -6.885 24.818 1.00 50.00 H new ATOM 0 HA PHE A 24 -9.402 -5.701 22.301 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.858 -7.500 24.320 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.487 -7.197 22.713 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.562 -7.430 20.780 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -9.561 -9.426 24.583 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.066 -9.181 19.860 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -8.062 -11.175 23.665 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.314 -11.052 21.303 1.00 50.00 H new ATOM 373 N GLU A 25 -10.936 -4.353 24.787 1.00 50.00 N ATOM 374 CA GLU A 25 -11.873 -3.247 25.132 1.00 50.00 C ATOM 375 C GLU A 25 -11.094 -1.946 25.344 1.00 50.00 C ATOM 376 O GLU A 25 -11.452 -0.905 24.829 1.00 50.00 O ATOM 377 CB GLU A 25 -12.545 -3.686 26.433 1.00 50.00 C ATOM 378 CG GLU A 25 -14.044 -3.386 26.359 1.00 50.00 C ATOM 379 CD GLU A 25 -14.809 -4.389 27.224 1.00 50.00 C ATOM 380 OE1 GLU A 25 -14.400 -4.597 28.355 1.00 50.00 O ATOM 381 OE2 GLU A 25 -15.790 -4.930 26.742 1.00 50.00 O ATOM 0 H GLU A 25 -10.410 -4.736 25.572 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.600 -3.060 24.342 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -12.384 -4.752 26.596 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -12.100 -3.163 27.279 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -14.240 -2.370 26.702 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -14.387 -3.445 25.326 1.00 50.00 H new ATOM 388 N LYS A 26 -10.029 -1.997 26.096 1.00 50.00 N ATOM 389 CA LYS A 26 -9.228 -0.763 26.339 1.00 50.00 C ATOM 390 C LYS A 26 -8.484 -0.359 25.065 1.00 50.00 C ATOM 391 O LYS A 26 -8.253 0.807 24.812 1.00 50.00 O ATOM 392 CB LYS A 26 -8.240 -1.140 27.443 1.00 50.00 C ATOM 393 CG LYS A 26 -8.012 0.066 28.356 1.00 50.00 C ATOM 394 CD LYS A 26 -8.905 -0.055 29.592 1.00 50.00 C ATOM 395 CE LYS A 26 -9.752 1.212 29.737 1.00 50.00 C ATOM 396 NZ LYS A 26 -10.581 0.979 30.953 1.00 50.00 N ATOM 0 H LYS A 26 -9.679 -2.839 26.553 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.851 0.084 26.625 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -8.627 -1.979 28.021 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -7.295 -1.463 27.006 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -6.965 0.117 28.654 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -8.236 0.989 27.821 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -9.551 -0.929 29.503 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -8.294 -0.200 30.483 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -9.125 2.096 29.849 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -10.376 1.373 28.858 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -11.191 1.805 31.121 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -11.172 0.135 30.814 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -9.960 0.835 31.774 1.00 50.00 H new ATOM 410 N ALA A 27 -8.111 -1.312 24.259 1.00 50.00 N ATOM 411 CA ALA A 27 -7.386 -0.981 22.999 1.00 50.00 C ATOM 412 C ALA A 27 -8.304 -0.193 22.062 1.00 50.00 C ATOM 413 O ALA A 27 -7.860 0.628 21.285 1.00 50.00 O ATOM 414 CB ALA A 27 -7.021 -2.332 22.383 1.00 50.00 C ATOM 0 H ALA A 27 -8.276 -2.306 24.417 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.504 -0.366 23.176 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.483 -2.172 21.449 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.389 -2.889 23.075 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -7.930 -2.899 22.185 1.00 50.00 H new ATOM 420 N ALA A 28 -9.585 -0.438 22.132 1.00 50.00 N ATOM 421 CA ALA A 28 -10.535 0.296 21.249 1.00 50.00 C ATOM 422 C ALA A 28 -10.677 1.746 21.718 1.00 50.00 C ATOM 423 O ALA A 28 -11.112 2.608 20.981 1.00 50.00 O ATOM 424 CB ALA A 28 -11.864 -0.446 21.396 1.00 50.00 C ATOM 0 H ALA A 28 -10.014 -1.115 22.763 1.00 50.00 H new ATOM 0 HA ALA A 28 -10.197 0.328 20.213 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.620 0.034 20.774 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.739 -1.482 21.080 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -12.182 -0.420 22.438 1.00 50.00 H new ATOM 430 N ASP A 29 -10.313 2.019 22.941 1.00 50.00 N ATOM 431 CA ASP A 29 -10.426 3.413 23.459 1.00 50.00 C ATOM 432 C ASP A 29 -9.176 4.216 23.087 1.00 50.00 C ATOM 433 O ASP A 29 -9.160 5.428 23.162 1.00 50.00 O ATOM 434 CB ASP A 29 -10.535 3.262 24.977 1.00 50.00 C ATOM 435 CG ASP A 29 -11.520 4.295 25.524 1.00 50.00 C ATOM 436 OD1 ASP A 29 -11.820 5.237 24.807 1.00 50.00 O ATOM 437 OD2 ASP A 29 -11.959 4.130 26.650 1.00 50.00 O ATOM 0 H ASP A 29 -9.942 1.338 23.604 1.00 50.00 H new ATOM 0 HA ASP A 29 -11.281 3.943 23.040 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -10.869 2.256 25.230 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -9.556 3.398 25.438 1.00 50.00 H new ATOM 442 N ALA A 30 -8.130 3.547 22.686 1.00 50.00 N ATOM 443 CA ALA A 30 -6.882 4.270 22.308 1.00 50.00 C ATOM 444 C ALA A 30 -6.715 4.274 20.787 1.00 50.00 C ATOM 445 O ALA A 30 -6.208 5.214 20.210 1.00 50.00 O ATOM 446 CB ALA A 30 -5.751 3.482 22.969 1.00 50.00 C ATOM 0 H ALA A 30 -8.085 2.531 22.604 1.00 50.00 H new ATOM 0 HA ALA A 30 -6.894 5.311 22.630 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -4.796 3.953 22.737 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.898 3.472 24.049 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.752 2.459 22.593 1.00 50.00 H new ATOM 452 N GLY A 31 -7.143 3.228 20.137 1.00 50.00 N ATOM 453 CA GLY A 31 -7.014 3.167 18.654 1.00 50.00 C ATOM 454 C GLY A 31 -5.607 2.692 18.282 1.00 50.00 C ATOM 455 O GLY A 31 -4.876 3.372 17.591 1.00 50.00 O ATOM 0 H GLY A 31 -7.577 2.412 20.569 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.760 2.487 18.241 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -7.204 4.149 18.221 1.00 50.00 H new ATOM 459 N LEU A 32 -5.224 1.527 18.730 1.00 50.00 N ATOM 460 CA LEU A 32 -3.864 1.012 18.394 1.00 50.00 C ATOM 461 C LEU A 32 -3.779 0.693 16.899 1.00 50.00 C ATOM 462 O LEU A 32 -4.717 0.907 16.157 1.00 50.00 O ATOM 463 CB LEU A 32 -3.709 -0.262 19.225 1.00 50.00 C ATOM 464 CG LEU A 32 -2.679 -0.029 20.334 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.403 0.299 21.641 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.837 -1.292 20.520 1.00 50.00 C ATOM 0 H LEU A 32 -5.791 0.911 19.312 1.00 50.00 H new ATOM 0 HA LEU A 32 -3.079 1.737 18.610 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.668 -0.544 19.659 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -3.392 -1.088 18.588 1.00 50.00 H new ATOM 0 HG LEU A 32 -2.030 0.803 20.060 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -2.671 0.465 22.431 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -4.004 1.199 21.508 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -4.051 -0.533 21.916 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.103 -1.127 21.309 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -2.485 -2.124 20.795 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -1.321 -1.526 19.589 1.00 50.00 H new ATOM 478 N ASP A 33 -2.664 0.184 16.450 1.00 50.00 N ATOM 479 CA ASP A 33 -2.528 -0.146 15.002 1.00 50.00 C ATOM 480 C ASP A 33 -3.573 -1.191 14.599 1.00 50.00 C ATOM 481 O ASP A 33 -3.714 -2.217 15.235 1.00 50.00 O ATOM 482 CB ASP A 33 -1.116 -0.713 14.854 1.00 50.00 C ATOM 483 CG ASP A 33 -0.114 0.437 14.738 1.00 50.00 C ATOM 484 OD1 ASP A 33 -0.519 1.511 14.327 1.00 50.00 O ATOM 485 OD2 ASP A 33 1.042 0.224 15.063 1.00 50.00 O ATOM 0 H ASP A 33 -1.843 -0.017 17.021 1.00 50.00 H new ATOM 0 HA ASP A 33 -2.685 0.723 14.363 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -0.871 -1.337 15.713 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.059 -1.350 13.971 1.00 50.00 H new ATOM 490 N GLY A 34 -4.307 -0.938 13.550 1.00 50.00 N ATOM 491 CA GLY A 34 -5.343 -1.917 13.111 1.00 50.00 C ATOM 492 C GLY A 34 -4.711 -3.300 12.946 1.00 50.00 C ATOM 493 O GLY A 34 -5.295 -4.306 13.294 1.00 50.00 O ATOM 0 H GLY A 34 -4.235 -0.097 12.978 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.149 -1.960 13.843 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -5.785 -1.594 12.169 1.00 50.00 H new ATOM 497 N GLU A 35 -3.522 -3.356 12.415 1.00 50.00 N ATOM 498 CA GLU A 35 -2.851 -4.675 12.222 1.00 50.00 C ATOM 499 C GLU A 35 -2.630 -5.364 13.572 1.00 50.00 C ATOM 500 O GLU A 35 -2.428 -6.560 13.644 1.00 50.00 O ATOM 501 CB GLU A 35 -1.510 -4.342 11.568 1.00 50.00 C ATOM 502 CG GLU A 35 -1.447 -4.980 10.180 1.00 50.00 C ATOM 503 CD GLU A 35 -0.206 -4.474 9.441 1.00 50.00 C ATOM 504 OE1 GLU A 35 0.212 -3.361 9.720 1.00 50.00 O ATOM 505 OE2 GLU A 35 0.306 -5.207 8.612 1.00 50.00 O ATOM 0 H GLU A 35 -2.984 -2.546 12.106 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.448 -5.355 11.614 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.390 -3.261 11.489 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -0.691 -4.709 12.186 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -1.413 -6.066 10.269 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.346 -4.734 9.614 1.00 50.00 H new ATOM 512 N ASP A 36 -2.665 -4.618 14.641 1.00 50.00 N ATOM 513 CA ASP A 36 -2.453 -5.226 15.988 1.00 50.00 C ATOM 514 C ASP A 36 -3.795 -5.585 16.628 1.00 50.00 C ATOM 515 O ASP A 36 -3.991 -6.685 17.104 1.00 50.00 O ATOM 516 CB ASP A 36 -1.750 -4.134 16.796 1.00 50.00 C ATOM 517 CG ASP A 36 -0.347 -3.905 16.231 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.144 -4.202 15.065 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.501 -3.437 16.973 1.00 50.00 O ATOM 0 H ASP A 36 -2.831 -3.612 14.642 1.00 50.00 H new ATOM 0 HA ASP A 36 -1.872 -6.147 15.942 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.325 -3.209 16.755 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.688 -4.425 17.845 1.00 50.00 H new ATOM 524 N TYR A 37 -4.719 -4.666 16.647 1.00 12.50 N ATOM 525 CA TYR A 37 -6.045 -4.955 17.261 1.00 12.50 C ATOM 526 C TYR A 37 -7.168 -4.634 16.271 1.00 12.50 C ATOM 527 O TYR A 37 -7.118 -3.653 15.555 1.00 12.50 O ATOM 528 CB TYR A 37 -6.117 -4.041 18.488 1.00 12.50 C ATOM 529 CG TYR A 37 -7.557 -3.862 18.913 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.345 -4.981 19.210 1.00 50.00 C ATOM 531 CD2 TYR A 37 -8.104 -2.576 19.005 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.679 -4.813 19.601 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.438 -2.408 19.395 1.00 50.00 C ATOM 534 CZ TYR A 37 -10.225 -3.527 19.692 1.00 12.50 C ATOM 535 OH TYR A 37 -11.541 -3.362 20.076 1.00 50.00 O ATOM 0 H TYR A 37 -4.614 -3.727 16.264 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.160 -6.005 17.531 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.538 -4.470 19.306 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.674 -3.072 18.257 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.924 -5.973 19.138 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.496 -1.713 18.775 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -10.287 -5.675 19.832 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.859 -1.416 19.467 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.631 -3.566 21.030 1.00 50.00 H new ATOM 545 N GLY A 38 -8.181 -5.454 16.227 1.00 10.00 N ATOM 546 CA GLY A 38 -9.307 -5.198 15.287 1.00 10.00 C ATOM 547 C GLY A 38 -10.243 -6.408 15.273 1.00 10.00 C ATOM 548 O GLY A 38 -9.828 -7.527 15.501 1.00 10.00 O ATOM 0 H GLY A 38 -8.277 -6.291 16.802 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -9.853 -4.305 15.591 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -8.923 -5.010 14.284 1.00 10.00 H new ATOM 552 N THR A 39 -11.500 -6.195 15.005 1.00 10.00 N ATOM 553 CA THR A 39 -12.458 -7.337 14.973 1.00 10.00 C ATOM 554 C THR A 39 -12.375 -8.051 13.623 1.00 10.00 C ATOM 555 O THR A 39 -12.659 -7.475 12.590 1.00 10.00 O ATOM 556 CB THR A 39 -13.836 -6.702 15.164 1.00 50.00 C ATOM 557 OG1 THR A 39 -13.712 -5.542 15.974 1.00 50.00 O ATOM 558 CG2 THR A 39 -14.772 -7.703 15.842 1.00 50.00 C ATOM 0 H THR A 39 -11.907 -5.281 14.807 1.00 10.00 H new ATOM 0 HA THR A 39 -12.245 -8.081 15.740 1.00 10.00 H new ATOM 0 HB THR A 39 -14.247 -6.425 14.193 1.00 50.00 H new ATOM 0 HG1 THR A 39 -14.594 -5.133 16.096 1.00 50.00 H new ATOM 0 HG21 THR A 39 -15.754 -7.249 15.977 1.00 50.00 H new ATOM 0 HG22 THR A 39 -14.866 -8.592 15.219 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.364 -7.982 16.814 1.00 50.00 H new ATOM 566 N MET A 40 -11.988 -9.299 13.615 1.00 10.00 N ATOM 567 CA MET A 40 -11.893 -10.029 12.321 1.00 10.00 C ATOM 568 C MET A 40 -13.243 -10.667 11.980 1.00 10.00 C ATOM 569 O MET A 40 -13.830 -11.366 12.783 1.00 10.00 O ATOM 570 CB MET A 40 -10.825 -11.101 12.535 1.00 10.00 C ATOM 571 CG MET A 40 -9.607 -10.783 11.665 1.00 10.00 C ATOM 572 SD MET A 40 -8.329 -12.036 11.936 1.00 12.50 S ATOM 573 CE MET A 40 -8.936 -13.240 10.730 1.00 50.00 C ATOM 0 H MET A 40 -11.736 -9.839 14.442 1.00 10.00 H new ATOM 0 HA MET A 40 -11.634 -9.369 11.493 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.536 -11.138 13.585 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.223 -12.083 12.279 1.00 10.00 H new ATOM 0 HG2 MET A 40 -9.893 -10.762 10.613 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.220 -9.794 11.910 1.00 10.00 H new ATOM 0 HE1 MET A 40 -8.097 -13.811 10.332 1.00 50.00 H new ATOM 0 HE2 MET A 40 -9.639 -13.917 11.214 1.00 50.00 H new ATOM 0 HE3 MET A 40 -9.438 -12.718 9.916 1.00 50.00 H new ATOM 583 N GLU A 41 -13.746 -10.427 10.800 1.00 10.00 N ATOM 584 CA GLU A 41 -15.062 -11.017 10.418 1.00 10.00 C ATOM 585 C GLU A 41 -14.861 -12.184 9.446 1.00 10.00 C ATOM 586 O GLU A 41 -14.564 -11.993 8.284 1.00 10.00 O ATOM 587 CB GLU A 41 -15.822 -9.878 9.736 1.00 10.00 C ATOM 588 CG GLU A 41 -17.281 -10.291 9.528 1.00 10.00 C ATOM 589 CD GLU A 41 -18.128 -9.772 10.691 1.00 12.50 C ATOM 590 OE1 GLU A 41 -18.174 -8.567 10.873 1.00 12.50 O ATOM 591 OE2 GLU A 41 -18.718 -10.590 11.379 1.00 12.50 O ATOM 0 H GLU A 41 -13.304 -9.849 10.085 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.601 -11.412 11.279 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.772 -8.976 10.346 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -15.360 -9.641 8.778 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.653 -9.889 8.585 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -17.357 -11.376 9.464 1.00 10.00 H new ATOM 598 N VAL A 42 -15.026 -13.393 9.913 1.00 10.00 N ATOM 599 CA VAL A 42 -14.848 -14.569 9.013 1.00 10.00 C ATOM 600 C VAL A 42 -15.838 -15.675 9.389 1.00 10.00 C ATOM 601 O VAL A 42 -15.910 -16.097 10.527 1.00 10.00 O ATOM 602 CB VAL A 42 -13.409 -15.032 9.240 1.00 10.00 C ATOM 603 CG1 VAL A 42 -13.114 -15.070 10.741 1.00 10.00 C ATOM 604 CG2 VAL A 42 -13.222 -16.430 8.646 1.00 10.00 C ATOM 0 H VAL A 42 -15.276 -13.617 10.876 1.00 10.00 H new ATOM 0 HA VAL A 42 -15.032 -14.321 7.968 1.00 10.00 H new ATOM 0 HB VAL A 42 -12.724 -14.337 8.754 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -12.088 -15.400 10.902 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.245 -14.074 11.163 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -13.799 -15.763 11.229 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -12.196 -16.760 8.808 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -13.907 -17.126 9.130 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -13.429 -16.402 7.576 1.00 10.00 H new ATOM 614 N ALA A 43 -16.607 -16.141 8.443 1.00 10.00 N ATOM 615 CA ALA A 43 -17.597 -17.216 8.745 1.00 10.00 C ATOM 616 C ALA A 43 -16.894 -18.571 8.860 1.00 10.00 C ATOM 617 O ALA A 43 -15.897 -18.822 8.213 1.00 10.00 O ATOM 618 CB ALA A 43 -18.556 -17.212 7.555 1.00 50.00 C ATOM 0 H ALA A 43 -16.593 -15.824 7.474 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.113 -17.047 9.690 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -19.318 -17.978 7.699 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -19.033 -16.235 7.476 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -18.001 -17.420 6.640 1.00 50.00 H new ATOM 624 N GLU A 44 -17.409 -19.447 9.678 1.00 10.00 N ATOM 625 CA GLU A 44 -16.773 -20.786 9.831 1.00 10.00 C ATOM 626 C GLU A 44 -16.562 -21.426 8.457 1.00 10.00 C ATOM 627 O GLU A 44 -17.500 -21.666 7.723 1.00 10.00 O ATOM 628 CB GLU A 44 -17.764 -21.604 10.661 1.00 10.00 C ATOM 629 CG GLU A 44 -17.168 -22.980 10.963 1.00 10.00 C ATOM 630 CD GLU A 44 -18.296 -23.999 11.129 1.00 25.00 C ATOM 631 OE1 GLU A 44 -19.400 -23.706 10.700 1.00 25.00 O ATOM 632 OE2 GLU A 44 -18.037 -25.055 11.683 1.00 25.00 O ATOM 0 H GLU A 44 -18.242 -19.294 10.247 1.00 10.00 H new ATOM 0 HA GLU A 44 -15.795 -20.729 10.309 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -17.992 -21.083 11.591 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -18.703 -21.714 10.119 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -16.504 -23.286 10.155 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -16.566 -22.936 11.871 1.00 10.00 H new ATOM 639 N GLY A 45 -15.337 -21.697 8.103 1.00 10.00 N ATOM 640 CA GLY A 45 -15.063 -22.312 6.775 1.00 10.00 C ATOM 641 C GLY A 45 -14.009 -21.481 6.045 1.00 10.00 C ATOM 642 O GLY A 45 -13.428 -21.911 5.069 1.00 10.00 O ATOM 0 H GLY A 45 -14.513 -21.519 8.677 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.713 -23.337 6.901 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.979 -22.358 6.186 1.00 10.00 H new ATOM 646 N GLU A 46 -13.755 -20.289 6.515 1.00 10.00 N ATOM 647 CA GLU A 46 -12.736 -19.424 5.853 1.00 10.00 C ATOM 648 C GLU A 46 -11.471 -19.351 6.715 1.00 10.00 C ATOM 649 O GLU A 46 -11.528 -19.057 7.892 1.00 10.00 O ATOM 650 CB GLU A 46 -13.393 -18.047 5.747 1.00 10.00 C ATOM 651 CG GLU A 46 -14.082 -17.913 4.388 1.00 10.00 C ATOM 652 CD GLU A 46 -15.594 -17.805 4.590 1.00 10.00 C ATOM 653 OE1 GLU A 46 -16.006 -17.005 5.414 1.00 10.00 O ATOM 654 OE2 GLU A 46 -16.316 -18.524 3.917 1.00 10.00 O ATOM 0 H GLU A 46 -14.210 -19.877 7.330 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.437 -19.807 4.877 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.119 -17.916 6.549 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -12.643 -17.265 5.865 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -13.711 -17.031 3.866 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -13.849 -18.775 3.764 1.00 10.00 H new ATOM 661 N TYR A 47 -10.331 -19.618 6.139 1.00 10.00 N ATOM 662 CA TYR A 47 -9.069 -19.564 6.931 1.00 10.00 C ATOM 663 C TYR A 47 -8.917 -18.192 7.594 1.00 10.00 C ATOM 664 O TYR A 47 -8.835 -17.176 6.932 1.00 10.00 O ATOM 665 CB TYR A 47 -7.951 -19.798 5.915 1.00 10.00 C ATOM 666 CG TYR A 47 -7.951 -21.250 5.495 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.097 -22.256 6.457 1.00 10.00 C ATOM 668 CD2 TYR A 47 -7.809 -21.588 4.145 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.100 -23.602 6.068 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.811 -22.932 3.756 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.957 -23.939 4.717 1.00 10.00 C ATOM 672 OH TYR A 47 -7.961 -25.264 4.333 1.00 10.00 O ATOM 0 H TYR A 47 -10.219 -19.871 5.157 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.052 -20.305 7.731 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.094 -19.156 5.046 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -6.987 -19.534 6.351 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.207 -21.995 7.499 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -7.698 -20.811 3.403 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.213 -24.379 6.810 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.700 -23.192 2.714 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.853 -25.323 3.361 1.00 10.00 H new ATOM 682 N ILE A 48 -8.881 -18.157 8.898 1.00 10.00 N ATOM 683 CA ILE A 48 -8.736 -16.856 9.612 1.00 10.00 C ATOM 684 C ILE A 48 -7.685 -15.980 8.924 1.00 10.00 C ATOM 685 O ILE A 48 -8.006 -15.004 8.275 1.00 10.00 O ATOM 686 CB ILE A 48 -8.280 -17.232 11.022 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.422 -17.931 11.760 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.878 -15.968 11.784 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.951 -18.346 13.155 1.00 10.00 C ATOM 0 H ILE A 48 -8.946 -18.976 9.502 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.664 -16.284 9.618 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.425 -17.904 10.958 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -10.281 -17.264 11.838 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.749 -18.807 11.200 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -7.553 -16.237 12.789 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.062 -15.471 11.260 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -8.732 -15.294 11.847 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.765 -18.844 13.681 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -8.106 -19.028 13.066 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -8.646 -17.461 13.714 1.00 10.00 H new ATOM 701 N LEU A 49 -6.432 -16.321 9.066 1.00 10.00 N ATOM 702 CA LEU A 49 -5.358 -15.508 8.425 1.00 10.00 C ATOM 703 C LEU A 49 -5.775 -15.094 7.012 1.00 10.00 C ATOM 704 O LEU A 49 -5.388 -14.051 6.521 1.00 10.00 O ATOM 705 CB LEU A 49 -4.140 -16.432 8.375 1.00 10.00 C ATOM 706 CG LEU A 49 -3.094 -15.844 7.425 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.693 -16.225 7.910 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.315 -16.400 6.018 1.00 10.00 C ATOM 0 H LEU A 49 -6.106 -17.128 9.598 1.00 10.00 H new ATOM 0 HA LEU A 49 -5.153 -14.590 8.975 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.717 -16.548 9.373 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.437 -17.425 8.037 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.189 -14.758 7.406 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.948 -15.807 7.234 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.535 -15.830 8.913 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.597 -17.311 7.929 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.571 -15.982 5.340 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.220 -17.486 6.037 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.313 -16.129 5.672 1.00 10.00 H new ATOM 720 N GLU A 50 -6.562 -15.900 6.354 1.00 10.00 N ATOM 721 CA GLU A 50 -7.001 -15.546 4.974 1.00 10.00 C ATOM 722 C GLU A 50 -8.077 -14.458 5.024 1.00 10.00 C ATOM 723 O GLU A 50 -8.083 -13.541 4.228 1.00 10.00 O ATOM 724 CB GLU A 50 -7.573 -16.840 4.394 1.00 10.00 C ATOM 725 CG GLU A 50 -7.579 -16.751 2.866 1.00 10.00 C ATOM 726 CD GLU A 50 -8.335 -17.950 2.290 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.474 -18.150 2.679 1.00 50.00 O ATOM 728 OE2 GLU A 50 -7.763 -18.648 1.470 1.00 50.00 O ATOM 0 H GLU A 50 -6.919 -16.786 6.711 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.183 -15.156 4.369 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -6.975 -17.692 4.718 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.585 -17.002 4.764 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -8.051 -15.822 2.547 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -6.557 -16.736 2.488 1.00 10.00 H new ATOM 735 N ALA A 51 -8.988 -14.553 5.954 1.00 10.00 N ATOM 736 CA ALA A 51 -10.061 -13.522 6.053 1.00 10.00 C ATOM 737 C ALA A 51 -9.447 -12.142 6.276 1.00 10.00 C ATOM 738 O ALA A 51 -9.693 -11.211 5.537 1.00 10.00 O ATOM 739 CB ALA A 51 -10.903 -13.938 7.259 1.00 12.50 C ATOM 0 H ALA A 51 -9.036 -15.298 6.649 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.659 -13.460 5.144 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.716 -13.226 7.398 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.316 -14.932 7.089 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.278 -13.953 8.152 1.00 12.50 H new ATOM 745 N ALA A 52 -8.647 -12.007 7.292 1.00 10.00 N ATOM 746 CA ALA A 52 -8.007 -10.689 7.569 1.00 10.00 C ATOM 747 C ALA A 52 -6.990 -10.361 6.474 1.00 10.00 C ATOM 748 O ALA A 52 -6.723 -9.212 6.183 1.00 10.00 O ATOM 749 CB ALA A 52 -7.312 -10.856 8.920 1.00 10.00 C ATOM 0 H ALA A 52 -8.406 -12.752 7.946 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.730 -9.873 7.587 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.817 -9.924 9.192 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.051 -11.110 9.680 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.572 -11.654 8.852 1.00 10.00 H new ATOM 755 N GLU A 53 -6.426 -11.363 5.860 1.00 10.00 N ATOM 756 CA GLU A 53 -5.433 -11.111 4.778 1.00 10.00 C ATOM 757 C GLU A 53 -6.050 -10.208 3.714 1.00 10.00 C ATOM 758 O GLU A 53 -5.560 -9.134 3.429 1.00 10.00 O ATOM 759 CB GLU A 53 -5.116 -12.493 4.201 1.00 10.00 C ATOM 760 CG GLU A 53 -4.440 -12.345 2.836 1.00 10.00 C ATOM 761 CD GLU A 53 -4.379 -13.711 2.149 1.00 10.00 C ATOM 762 OE1 GLU A 53 -5.168 -14.569 2.509 1.00 10.00 O ATOM 763 OE2 GLU A 53 -3.545 -13.876 1.273 1.00 10.00 O ATOM 0 H GLU A 53 -6.609 -12.346 6.060 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.534 -10.611 5.140 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.464 -13.040 4.882 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -6.033 -13.074 4.101 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -4.995 -11.639 2.218 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.435 -11.941 2.957 1.00 10.00 H new ATOM 770 N ALA A 54 -7.130 -10.637 3.134 1.00 10.00 N ATOM 771 CA ALA A 54 -7.798 -9.808 2.094 1.00 10.00 C ATOM 772 C ALA A 54 -8.326 -8.517 2.724 1.00 10.00 C ATOM 773 O ALA A 54 -8.735 -7.601 2.039 1.00 10.00 O ATOM 774 CB ALA A 54 -8.952 -10.669 1.580 1.00 50.00 C ATOM 0 H ALA A 54 -7.583 -11.529 3.334 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.121 -9.520 1.289 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -9.495 -10.125 0.807 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -8.557 -11.595 1.163 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -9.628 -10.901 2.403 1.00 50.00 H new ATOM 780 N GLN A 55 -8.315 -8.440 4.028 1.00 10.00 N ATOM 781 CA GLN A 55 -8.811 -7.209 4.707 1.00 10.00 C ATOM 782 C GLN A 55 -7.673 -6.196 4.851 1.00 10.00 C ATOM 783 O GLN A 55 -7.898 -5.005 4.933 1.00 10.00 O ATOM 784 CB GLN A 55 -9.289 -7.680 6.082 1.00 10.00 C ATOM 785 CG GLN A 55 -10.701 -7.149 6.341 1.00 10.00 C ATOM 786 CD GLN A 55 -11.724 -8.077 5.683 1.00 10.00 C ATOM 787 OE1 GLN A 55 -11.623 -9.283 5.787 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.713 -7.561 5.005 1.00 10.00 N ATOM 0 H GLN A 55 -7.984 -9.176 4.652 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.607 -6.718 4.147 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -9.285 -8.769 6.127 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.608 -7.326 6.856 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.887 -7.088 7.413 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.800 -6.140 5.942 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -12.798 -6.548 4.918 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -13.401 -8.171 4.563 1.00 10.00 H new ATOM 797 N GLY A 56 -6.452 -6.658 4.880 1.00 10.00 N ATOM 798 CA GLY A 56 -5.304 -5.718 5.017 1.00 10.00 C ATOM 799 C GLY A 56 -4.542 -6.030 6.305 1.00 10.00 C ATOM 800 O GLY A 56 -3.828 -5.202 6.833 1.00 10.00 O ATOM 0 H GLY A 56 -6.201 -7.644 4.815 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.640 -5.810 4.157 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.663 -4.689 5.034 1.00 10.00 H new ATOM 804 N TYR A 57 -4.689 -7.222 6.815 1.00 10.00 N ATOM 805 CA TYR A 57 -3.975 -7.591 8.070 1.00 10.00 C ATOM 806 C TYR A 57 -2.819 -8.546 7.755 1.00 10.00 C ATOM 807 O TYR A 57 -2.934 -9.414 6.912 1.00 10.00 O ATOM 808 CB TYR A 57 -5.032 -8.283 8.930 1.00 10.00 C ATOM 809 CG TYR A 57 -6.125 -7.303 9.279 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.815 -6.116 9.954 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.451 -7.583 8.929 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.832 -5.210 10.279 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.467 -6.679 9.253 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.159 -5.492 9.928 1.00 12.50 C ATOM 815 OH TYR A 57 -9.161 -4.600 10.248 1.00 12.50 O ATOM 0 H TYR A 57 -5.273 -7.957 6.416 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.541 -6.728 8.575 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.451 -9.134 8.393 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.576 -8.673 9.840 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.792 -5.899 10.224 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.690 -8.498 8.408 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.594 -4.294 10.800 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.490 -6.896 8.982 1.00 12.50 H new ATOM 0 HH TYR A 57 -10.021 -4.947 9.932 1.00 12.50 H new ATOM 825 N ASP A 58 -1.706 -8.390 8.418 1.00 10.00 N ATOM 826 CA ASP A 58 -0.544 -9.287 8.147 1.00 10.00 C ATOM 827 C ASP A 58 -0.392 -10.325 9.264 1.00 10.00 C ATOM 828 O ASP A 58 -0.598 -10.035 10.426 1.00 10.00 O ATOM 829 CB ASP A 58 0.670 -8.360 8.111 1.00 10.00 C ATOM 830 CG ASP A 58 1.890 -9.138 7.616 1.00 10.00 C ATOM 831 OD1 ASP A 58 1.709 -10.032 6.806 1.00 10.00 O ATOM 832 OD2 ASP A 58 2.985 -8.825 8.054 1.00 10.00 O ATOM 0 H ASP A 58 -1.550 -7.682 9.135 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.665 -9.843 7.217 1.00 10.00 H new ATOM 0 HB2 ASP A 58 0.475 -7.512 7.454 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.862 -7.955 9.105 1.00 10.00 H new ATOM 837 N TRP A 59 -0.030 -11.531 8.919 1.00 10.00 N ATOM 838 CA TRP A 59 0.140 -12.588 9.960 1.00 10.00 C ATOM 839 C TRP A 59 1.403 -13.403 9.686 1.00 10.00 C ATOM 840 O TRP A 59 1.822 -13.539 8.554 1.00 10.00 O ATOM 841 CB TRP A 59 -1.096 -13.479 9.833 1.00 10.00 C ATOM 842 CG TRP A 59 -2.324 -12.640 9.933 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.761 -11.794 8.977 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.278 -12.550 11.031 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.919 -11.185 9.417 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.280 -11.617 10.676 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.372 -13.177 12.285 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.336 -11.316 11.534 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.435 -12.877 13.152 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.416 -11.948 12.777 1.00 50.00 C ATOM 0 H TRP A 59 0.156 -11.831 7.962 1.00 10.00 H new ATOM 0 HA TRP A 59 0.240 -12.163 10.959 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.080 -14.008 8.880 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.094 -14.236 10.617 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.283 -11.622 8.024 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.444 -10.498 8.876 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.622 -13.894 12.584 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.088 -10.599 11.240 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.497 -13.365 14.114 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.232 -11.722 13.448 1.00 50.00 H new ATOM 861 N PRO A 60 1.960 -13.927 10.740 1.00 10.00 N ATOM 862 CA PRO A 60 3.182 -14.752 10.616 1.00 10.00 C ATOM 863 C PRO A 60 2.824 -16.117 10.028 1.00 10.00 C ATOM 864 O PRO A 60 1.884 -16.758 10.454 1.00 10.00 O ATOM 865 CB PRO A 60 3.668 -14.891 12.055 1.00 10.00 C ATOM 866 CG PRO A 60 2.442 -14.709 12.894 1.00 10.00 C ATOM 867 CD PRO A 60 1.512 -13.802 12.130 1.00 10.00 C ATOM 0 HA PRO A 60 3.937 -14.318 9.961 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.123 -15.867 12.226 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.423 -14.142 12.291 1.00 10.00 H new ATOM 0 HG2 PRO A 60 1.966 -15.669 13.093 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.698 -14.273 13.860 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.472 -14.109 12.244 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.581 -12.772 12.481 1.00 10.00 H new ATOM 875 N PHE A 61 3.559 -16.568 9.055 1.00 10.00 N ATOM 876 CA PHE A 61 3.250 -17.892 8.447 1.00 10.00 C ATOM 877 C PHE A 61 4.439 -18.382 7.619 1.00 10.00 C ATOM 878 O PHE A 61 5.202 -17.602 7.087 1.00 10.00 O ATOM 879 CB PHE A 61 2.031 -17.649 7.555 1.00 10.00 C ATOM 880 CG PHE A 61 2.448 -16.897 6.313 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.105 -17.569 5.277 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.177 -15.528 6.199 1.00 10.00 C ATOM 883 CE1 PHE A 61 3.491 -16.872 4.124 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.562 -14.832 5.047 1.00 10.00 C ATOM 885 CZ PHE A 61 3.220 -15.504 4.011 1.00 10.00 C ATOM 0 H PHE A 61 4.360 -16.080 8.653 1.00 10.00 H new ATOM 0 HA PHE A 61 3.052 -18.656 9.199 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.575 -18.600 7.280 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.278 -17.080 8.100 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.315 -18.625 5.366 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.671 -15.009 7.000 1.00 10.00 H new ATOM 0 HE1 PHE A 61 3.997 -17.391 3.323 1.00 10.00 H new ATOM 0 HE2 PHE A 61 2.351 -13.777 4.958 1.00 10.00 H new ATOM 0 HZ PHE A 61 3.519 -14.966 3.123 1.00 10.00 H new ATOM 895 N SER A 62 4.604 -19.670 7.513 1.00 10.00 N ATOM 896 CA SER A 62 5.746 -20.210 6.729 1.00 10.00 C ATOM 897 C SER A 62 5.332 -21.488 6.001 1.00 10.00 C ATOM 898 O SER A 62 5.419 -21.585 4.793 1.00 10.00 O ATOM 899 CB SER A 62 6.829 -20.510 7.767 1.00 10.00 C ATOM 900 OG SER A 62 6.871 -21.906 8.020 1.00 10.00 O ATOM 0 H SER A 62 3.997 -20.372 7.936 1.00 10.00 H new ATOM 0 HA SER A 62 6.092 -19.511 5.967 1.00 10.00 H new ATOM 0 HB2 SER A 62 7.798 -20.166 7.406 1.00 10.00 H new ATOM 0 HB3 SER A 62 6.622 -19.969 8.690 1.00 10.00 H new ATOM 0 HG SER A 62 7.566 -22.097 8.684 1.00 10.00 H new ATOM 906 N CYS A 63 4.897 -22.477 6.732 1.00 10.00 N ATOM 907 CA CYS A 63 4.495 -23.758 6.091 1.00 10.00 C ATOM 908 C CYS A 63 3.131 -23.611 5.378 1.00 10.00 C ATOM 909 O CYS A 63 2.936 -24.126 4.295 1.00 10.00 O ATOM 910 CB CYS A 63 4.472 -24.768 7.252 1.00 10.00 C ATOM 911 SG CYS A 63 2.841 -24.844 8.028 1.00 10.00 S ATOM 0 H CYS A 63 4.803 -22.452 7.747 1.00 10.00 H new ATOM 0 HA CYS A 63 5.176 -24.084 5.305 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.747 -25.756 6.882 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.218 -24.487 7.996 1.00 10.00 H new ATOM 916 N ARG A 64 2.204 -22.890 5.956 1.00 10.00 N ATOM 917 CA ARG A 64 0.873 -22.683 5.286 1.00 10.00 C ATOM 918 C ARG A 64 0.119 -24.006 5.078 1.00 10.00 C ATOM 919 O ARG A 64 -0.664 -24.145 4.159 1.00 10.00 O ATOM 920 CB ARG A 64 1.215 -22.054 3.934 1.00 10.00 C ATOM 921 CG ARG A 64 0.457 -20.734 3.778 1.00 10.00 C ATOM 922 CD ARG A 64 1.459 -19.582 3.672 1.00 10.00 C ATOM 923 NE ARG A 64 1.528 -19.269 2.216 1.00 10.00 N ATOM 924 CZ ARG A 64 1.219 -18.074 1.792 1.00 10.00 C ATOM 925 NH1 ARG A 64 2.160 -17.250 1.419 1.00 10.00 N ATOM 926 NH2 ARG A 64 -0.031 -17.704 1.739 1.00 10.00 N ATOM 0 H ARG A 64 2.306 -22.434 6.863 1.00 10.00 H new ATOM 0 HA ARG A 64 0.218 -22.060 5.895 1.00 10.00 H new ATOM 0 HB2 ARG A 64 2.289 -21.879 3.863 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.949 -22.736 3.126 1.00 10.00 H new ATOM 0 HG2 ARG A 64 -0.172 -20.766 2.889 1.00 10.00 H new ATOM 0 HG3 ARG A 64 -0.204 -20.578 4.631 1.00 10.00 H new ATOM 0 HD2 ARG A 64 1.129 -18.717 4.247 1.00 10.00 H new ATOM 0 HD3 ARG A 64 2.435 -19.870 4.061 1.00 10.00 H new ATOM 0 HE ARG A 64 1.816 -19.988 1.552 1.00 10.00 H new ATOM 0 HH11 ARG A 64 3.137 -17.540 1.459 1.00 10.00 H new ATOM 0 HH12 ARG A 64 1.918 -16.316 1.088 1.00 10.00 H new ATOM 0 HH21 ARG A 64 -0.766 -18.349 2.029 1.00 10.00 H new ATOM 0 HH22 ARG A 64 -0.273 -16.770 1.408 1.00 10.00 H new ATOM 940 N ALA A 65 0.338 -24.967 5.925 1.00 10.00 N ATOM 941 CA ALA A 65 -0.369 -26.273 5.789 1.00 10.00 C ATOM 942 C ALA A 65 -0.811 -26.786 7.167 1.00 10.00 C ATOM 943 O ALA A 65 -1.366 -27.861 7.287 1.00 10.00 O ATOM 944 CB ALA A 65 0.661 -27.218 5.170 1.00 10.00 C ATOM 0 H ALA A 65 0.982 -24.907 6.714 1.00 10.00 H new ATOM 0 HA ALA A 65 -1.268 -26.193 5.178 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.216 -28.204 5.037 1.00 10.00 H new ATOM 0 HB2 ALA A 65 0.976 -26.829 4.202 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.526 -27.296 5.829 1.00 10.00 H new ATOM 950 N GLY A 66 -0.572 -26.029 8.208 1.00 10.00 N ATOM 951 CA GLY A 66 -0.982 -26.483 9.570 1.00 10.00 C ATOM 952 C GLY A 66 0.021 -27.514 10.099 1.00 10.00 C ATOM 953 O GLY A 66 -0.351 -28.481 10.734 1.00 10.00 O ATOM 0 H GLY A 66 -0.112 -25.119 8.173 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.032 -25.631 10.247 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.980 -26.919 9.532 1.00 10.00 H new ATOM 957 N ALA A 67 1.287 -27.327 9.836 1.00 10.00 N ATOM 958 CA ALA A 67 2.301 -28.312 10.320 1.00 10.00 C ATOM 959 C ALA A 67 3.432 -27.617 11.094 1.00 10.00 C ATOM 960 O ALA A 67 4.430 -28.230 11.421 1.00 10.00 O ATOM 961 CB ALA A 67 2.847 -28.966 9.052 1.00 10.00 C ATOM 0 H ALA A 67 1.663 -26.539 9.309 1.00 10.00 H new ATOM 0 HA ALA A 67 1.862 -29.035 11.008 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.601 -29.706 9.320 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.034 -29.455 8.515 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.296 -28.205 8.414 1.00 10.00 H new ATOM 967 N CYS A 68 3.292 -26.355 11.395 1.00 10.00 N ATOM 968 CA CYS A 68 4.372 -25.653 12.154 1.00 10.00 C ATOM 969 C CYS A 68 3.761 -24.689 13.186 1.00 10.00 C ATOM 970 O CYS A 68 2.565 -24.676 13.398 1.00 10.00 O ATOM 971 CB CYS A 68 5.205 -24.919 11.087 1.00 10.00 C ATOM 972 SG CYS A 68 4.553 -23.256 10.775 1.00 10.00 S ATOM 0 H CYS A 68 2.484 -25.781 11.152 1.00 10.00 H new ATOM 0 HA CYS A 68 4.997 -26.338 12.727 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.242 -24.850 11.416 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.202 -25.493 10.161 1.00 10.00 H new ATOM 977 N ALA A 69 4.572 -23.896 13.838 1.00 10.00 N ATOM 978 CA ALA A 69 4.025 -22.955 14.865 1.00 10.00 C ATOM 979 C ALA A 69 4.446 -21.509 14.573 1.00 10.00 C ATOM 980 O ALA A 69 4.229 -20.621 15.373 1.00 10.00 O ATOM 981 CB ALA A 69 4.629 -23.425 16.187 1.00 25.00 C ATOM 0 H ALA A 69 5.583 -23.858 13.706 1.00 10.00 H new ATOM 0 HA ALA A 69 2.935 -22.961 14.877 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.277 -22.785 16.996 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.326 -24.454 16.380 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.716 -23.372 16.130 1.00 25.00 H new ATOM 987 N ASN A 70 5.045 -21.263 13.443 1.00 10.00 N ATOM 988 CA ASN A 70 5.477 -19.872 13.116 1.00 10.00 C ATOM 989 C ASN A 70 4.278 -18.921 13.157 1.00 10.00 C ATOM 990 O ASN A 70 4.375 -17.801 13.619 1.00 10.00 O ATOM 991 CB ASN A 70 6.039 -19.958 11.697 1.00 50.00 C ATOM 992 CG ASN A 70 7.516 -20.350 11.756 1.00 50.00 C ATOM 993 OD1 ASN A 70 8.380 -19.557 11.438 1.00 50.00 O ATOM 994 ND2 ASN A 70 7.844 -21.549 12.151 1.00 50.00 N ATOM 0 H ASN A 70 5.255 -21.962 12.731 1.00 10.00 H new ATOM 0 HA ASN A 70 6.211 -19.490 13.826 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.480 -20.692 11.117 1.00 50.00 H new ATOM 0 HB3 ASN A 70 5.926 -18.999 11.191 1.00 50.00 H new ATOM 0 HD21 ASN A 70 8.826 -21.821 12.193 1.00 50.00 H new ATOM 0 HD22 ASN A 70 7.118 -22.214 12.418 1.00 50.00 H new ATOM 1001 N CYS A 71 3.146 -19.358 12.679 1.00 10.00 N ATOM 1002 CA CYS A 71 1.938 -18.483 12.694 1.00 10.00 C ATOM 1003 C CYS A 71 1.216 -18.617 14.040 1.00 10.00 C ATOM 1004 O CYS A 71 0.086 -18.200 14.198 1.00 10.00 O ATOM 1005 CB CYS A 71 1.061 -19.006 11.554 1.00 10.00 C ATOM 1006 SG CYS A 71 0.368 -20.613 12.019 1.00 10.00 S ATOM 0 H CYS A 71 3.004 -20.285 12.278 1.00 10.00 H new ATOM 0 HA CYS A 71 2.181 -17.428 12.566 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.259 -18.299 11.343 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.650 -19.101 10.642 1.00 10.00 H new ATOM 1011 N ALA A 72 1.864 -19.211 15.004 1.00 10.00 N ATOM 1012 CA ALA A 72 1.231 -19.399 16.342 1.00 10.00 C ATOM 1013 C ALA A 72 0.455 -18.150 16.777 1.00 10.00 C ATOM 1014 O ALA A 72 0.791 -17.034 16.428 1.00 10.00 O ATOM 1015 CB ALA A 72 2.399 -19.656 17.291 1.00 10.00 C ATOM 0 H ALA A 72 2.812 -19.577 14.922 1.00 10.00 H new ATOM 0 HA ALA A 72 0.509 -20.215 16.333 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.020 -19.806 18.302 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.939 -20.547 16.970 1.00 10.00 H new ATOM 0 HB3 ALA A 72 3.073 -18.799 17.279 1.00 10.00 H new ATOM 1021 N SER A 73 -0.577 -18.345 17.554 1.00 10.00 N ATOM 1022 CA SER A 73 -1.394 -17.197 18.046 1.00 10.00 C ATOM 1023 C SER A 73 -1.681 -17.383 19.537 1.00 10.00 C ATOM 1024 O SER A 73 -1.057 -18.184 20.201 1.00 10.00 O ATOM 1025 CB SER A 73 -2.693 -17.258 17.241 1.00 50.00 C ATOM 1026 OG SER A 73 -2.691 -16.233 16.260 1.00 50.00 O ATOM 0 H SER A 73 -0.892 -19.261 17.872 1.00 10.00 H new ATOM 0 HA SER A 73 -0.890 -16.238 17.924 1.00 10.00 H new ATOM 0 HB2 SER A 73 -2.792 -18.233 16.763 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.550 -17.140 17.904 1.00 50.00 H new ATOM 0 HG SER A 73 -2.751 -15.359 16.700 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.622 -16.656 20.066 1.00 10.00 N ATOM 1033 CA ILE A 74 -2.952 -16.803 21.513 1.00 10.00 C ATOM 1034 C ILE A 74 -4.449 -16.581 21.732 1.00 10.00 C ATOM 1035 O ILE A 74 -4.870 -15.557 22.234 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.129 -15.728 22.225 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.680 -16.200 22.357 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.706 -15.478 23.621 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.652 -17.560 23.058 1.00 10.00 C ATOM 0 H ILE A 74 -3.178 -15.966 19.561 1.00 10.00 H new ATOM 0 HA ILE A 74 -2.721 -17.798 21.893 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.164 -14.805 21.646 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.219 -16.276 21.372 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.099 -15.473 22.925 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.118 -14.712 24.126 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.739 -15.143 23.533 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.672 -16.401 24.199 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.380 -17.899 23.153 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.097 -17.468 24.049 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.219 -18.283 22.472 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.257 -17.536 21.363 1.00 10.00 N ATOM 1052 CA VAL A 75 -6.728 -17.378 21.555 1.00 10.00 C ATOM 1053 C VAL A 75 -7.013 -16.839 22.961 1.00 10.00 C ATOM 1054 O VAL A 75 -6.842 -17.529 23.945 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.304 -18.786 21.386 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -6.709 -19.714 22.447 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -8.825 -18.738 21.545 1.00 50.00 C ATOM 0 H VAL A 75 -4.965 -18.416 20.938 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.170 -16.676 20.848 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.054 -19.163 20.394 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.120 -20.716 22.326 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -5.626 -19.750 22.333 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -6.957 -19.338 23.440 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.235 -19.741 21.425 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.075 -18.360 22.536 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.249 -18.079 20.788 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.436 -15.607 23.066 1.00 10.00 N ATOM 1068 CA LYS A 76 -7.717 -15.028 24.411 1.00 10.00 C ATOM 1069 C LYS A 76 -9.103 -15.453 24.901 1.00 10.00 C ATOM 1070 O LYS A 76 -9.469 -15.217 26.035 1.00 10.00 O ATOM 1071 CB LYS A 76 -7.660 -13.514 24.208 1.00 25.00 C ATOM 1072 CG LYS A 76 -7.577 -12.819 25.567 1.00 25.00 C ATOM 1073 CD LYS A 76 -8.856 -12.014 25.806 1.00 50.00 C ATOM 1074 CE LYS A 76 -9.748 -12.758 26.803 1.00 50.00 C ATOM 1075 NZ LYS A 76 -10.387 -11.685 27.615 1.00 50.00 N ATOM 0 H LYS A 76 -7.599 -14.978 22.280 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.003 -15.369 25.161 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -6.795 -13.250 23.600 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -8.544 -13.175 23.668 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -7.446 -13.558 26.358 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -6.709 -12.161 25.599 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -8.609 -11.024 26.191 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -9.387 -11.867 24.866 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -10.495 -13.364 26.290 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -9.164 -13.433 27.429 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -10.935 -12.114 28.387 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -9.652 -11.067 28.014 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -11.021 -11.123 27.011 1.00 50.00 H new ATOM 1089 N GLU A 77 -9.877 -16.078 24.059 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.237 -16.515 24.486 1.00 10.00 C ATOM 1091 C GLU A 77 -12.019 -17.059 23.288 1.00 10.00 C ATOM 1092 O GLU A 77 -11.780 -16.685 22.157 1.00 10.00 O ATOM 1093 CB GLU A 77 -11.903 -15.254 25.035 1.00 10.00 C ATOM 1094 CG GLU A 77 -12.124 -15.410 26.541 1.00 10.00 C ATOM 1095 CD GLU A 77 -13.545 -14.971 26.898 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -13.746 -13.783 27.088 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -14.408 -15.830 26.973 1.00 25.00 O ATOM 0 H GLU A 77 -9.629 -16.305 23.096 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.201 -17.313 25.228 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.278 -14.383 24.836 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -12.855 -15.084 24.532 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -11.968 -16.448 26.836 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -11.398 -14.810 27.090 1.00 10.00 H new ATOM 1104 N GLY A 78 -12.949 -17.941 23.528 1.00 10.00 N ATOM 1105 CA GLY A 78 -13.743 -18.511 22.404 1.00 10.00 C ATOM 1106 C GLY A 78 -13.102 -19.820 21.940 1.00 10.00 C ATOM 1107 O GLY A 78 -12.660 -20.622 22.739 1.00 10.00 O ATOM 0 H GLY A 78 -13.194 -18.292 24.454 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -14.770 -18.690 22.724 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -13.785 -17.801 21.578 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.048 -20.044 20.656 1.00 10.00 N ATOM 1112 CA GLU A 79 -12.434 -21.304 20.144 1.00 10.00 C ATOM 1113 C GLU A 79 -12.346 -21.271 18.617 1.00 10.00 C ATOM 1114 O GLU A 79 -13.243 -20.803 17.943 1.00 10.00 O ATOM 1115 CB GLU A 79 -13.373 -22.420 20.603 1.00 25.00 C ATOM 1116 CG GLU A 79 -13.016 -23.718 19.875 1.00 25.00 C ATOM 1117 CD GLU A 79 -13.534 -24.913 20.677 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -14.705 -25.230 20.541 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -12.753 -25.491 21.414 1.00 50.00 O ATOM 0 H GLU A 79 -13.402 -19.411 19.939 1.00 10.00 H new ATOM 0 HA GLU A 79 -11.419 -21.447 20.516 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -13.289 -22.560 21.681 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -14.408 -22.147 20.396 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -13.454 -23.720 18.877 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -11.936 -23.792 19.750 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.273 -21.769 18.065 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.127 -21.771 16.581 1.00 10.00 C ATOM 1128 C ILE A 80 -11.259 -23.201 16.047 1.00 10.00 C ATOM 1129 O ILE A 80 -10.876 -24.153 16.698 1.00 10.00 O ATOM 1130 CB ILE A 80 -9.722 -21.227 16.321 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -9.654 -19.760 16.751 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.402 -21.336 14.829 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.686 -19.619 17.927 1.00 50.00 C ATOM 0 H ILE A 80 -10.490 -22.175 18.578 1.00 10.00 H new ATOM 0 HA ILE A 80 -11.891 -21.172 16.085 1.00 10.00 H new ATOM 0 HB ILE A 80 -8.997 -21.806 16.892 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -9.323 -19.140 15.917 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.645 -19.407 17.037 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.400 -20.948 14.642 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.450 -22.381 14.522 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.127 -20.757 14.258 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.637 -18.574 18.234 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -9.036 -20.227 18.761 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -7.694 -19.955 17.624 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.800 -23.360 14.871 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.957 -24.729 14.302 1.00 10.00 C ATOM 1147 C ASP A 81 -10.657 -25.185 13.636 1.00 10.00 C ATOM 1148 O ASP A 81 -10.256 -24.666 12.613 1.00 10.00 O ATOM 1149 CB ASP A 81 -13.073 -24.605 13.265 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.610 -25.996 12.924 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -12.819 -26.829 12.512 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -14.801 -26.206 13.081 1.00 10.00 O ATOM 0 H ASP A 81 -12.140 -22.602 14.279 1.00 10.00 H new ATOM 0 HA ASP A 81 -12.193 -25.465 15.070 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.876 -23.979 13.653 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.696 -24.119 12.365 1.00 10.00 H new ATOM 1157 N MET A 82 -9.997 -26.158 14.204 1.00 12.50 N ATOM 1158 CA MET A 82 -8.727 -26.652 13.598 1.00 12.50 C ATOM 1159 C MET A 82 -8.993 -27.936 12.807 1.00 12.50 C ATOM 1160 O MET A 82 -10.120 -28.360 12.658 1.00 12.50 O ATOM 1161 CB MET A 82 -7.801 -26.928 14.784 1.00 12.50 C ATOM 1162 CG MET A 82 -8.511 -27.841 15.785 1.00 12.50 C ATOM 1163 SD MET A 82 -7.293 -28.907 16.595 1.00 12.50 S ATOM 1164 CE MET A 82 -8.401 -29.621 17.835 1.00 50.00 C ATOM 0 H MET A 82 -10.282 -26.632 15.061 1.00 12.50 H new ATOM 0 HA MET A 82 -8.289 -25.935 12.904 1.00 12.50 H new ATOM 0 HB2 MET A 82 -6.880 -27.397 14.438 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.521 -25.991 15.266 1.00 12.50 H new ATOM 0 HG2 MET A 82 -9.039 -27.243 16.528 1.00 12.50 H new ATOM 0 HG3 MET A 82 -9.259 -28.447 15.274 1.00 12.50 H new ATOM 0 HE1 MET A 82 -7.846 -30.323 18.458 1.00 50.00 H new ATOM 0 HE2 MET A 82 -8.809 -28.826 18.459 1.00 50.00 H new ATOM 0 HE3 MET A 82 -9.216 -30.145 17.336 1.00 50.00 H new ATOM 1174 N ASP A 83 -7.965 -28.558 12.298 1.00 50.00 N ATOM 1175 CA ASP A 83 -8.170 -29.813 11.519 1.00 50.00 C ATOM 1176 C ASP A 83 -7.452 -30.983 12.195 1.00 50.00 C ATOM 1177 O ASP A 83 -6.573 -30.794 13.013 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.559 -29.533 10.145 1.00 50.00 C ATOM 1179 CG ASP A 83 -8.644 -29.021 9.197 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -9.744 -28.775 9.665 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -8.358 -28.881 8.019 1.00 50.00 O ATOM 0 H ASP A 83 -6.996 -28.253 12.387 1.00 50.00 H new ATOM 0 HA ASP A 83 -9.223 -30.085 11.450 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -6.761 -28.795 10.234 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -7.110 -30.441 9.743 1.00 50.00 H new ATOM 1186 N MET A 84 -7.818 -32.189 11.858 1.00 50.00 N ATOM 1187 CA MET A 84 -7.155 -33.370 12.480 1.00 50.00 C ATOM 1188 C MET A 84 -5.676 -33.410 12.088 1.00 50.00 C ATOM 1189 O MET A 84 -5.334 -33.476 10.925 1.00 50.00 O ATOM 1190 CB MET A 84 -7.892 -34.583 11.910 1.00 50.00 C ATOM 1191 CG MET A 84 -9.324 -34.606 12.448 1.00 50.00 C ATOM 1192 SD MET A 84 -9.547 -36.053 13.511 1.00 50.00 S ATOM 1193 CE MET A 84 -11.353 -36.116 13.431 1.00 50.00 C ATOM 0 H MET A 84 -8.547 -32.408 11.179 1.00 50.00 H new ATOM 0 HA MET A 84 -7.196 -33.342 13.569 1.00 50.00 H new ATOM 0 HB2 MET A 84 -7.902 -34.538 10.821 1.00 50.00 H new ATOM 0 HB3 MET A 84 -7.373 -35.501 12.187 1.00 50.00 H new ATOM 0 HG2 MET A 84 -9.527 -33.694 13.010 1.00 50.00 H new ATOM 0 HG3 MET A 84 -10.034 -34.636 11.621 1.00 50.00 H new ATOM 0 HE1 MET A 84 -11.715 -36.952 14.029 1.00 50.00 H new ATOM 0 HE2 MET A 84 -11.767 -35.186 13.820 1.00 50.00 H new ATOM 0 HE3 MET A 84 -11.667 -36.248 12.396 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.796 -33.371 13.051 1.00 16.66 N ATOM 1204 CA GLN A 85 -3.342 -33.405 12.729 1.00 16.66 C ATOM 1205 C GLN A 85 -2.532 -33.800 13.966 1.00 16.66 C ATOM 1206 O GLN A 85 -3.056 -34.352 14.913 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.998 -31.979 12.295 1.00 16.66 C ATOM 1208 CG GLN A 85 -2.602 -31.978 10.818 1.00 16.66 C ATOM 1209 CD GLN A 85 -3.184 -30.740 10.133 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -4.290 -30.332 10.428 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -2.481 -30.120 9.226 1.00 16.66 N ATOM 0 H GLN A 85 -5.021 -33.317 14.044 1.00 16.66 H new ATOM 0 HA GLN A 85 -3.110 -34.135 11.953 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -3.854 -31.323 12.454 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -2.181 -31.590 12.902 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -1.516 -31.983 10.722 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -2.969 -32.882 10.332 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -1.553 -30.462 8.978 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -2.860 -29.293 8.765 1.00 16.66 H new ATOM 1220 N GLN A 86 -1.257 -33.521 13.966 1.00 16.66 N ATOM 1221 CA GLN A 86 -0.414 -33.883 15.140 1.00 16.66 C ATOM 1222 C GLN A 86 0.624 -32.787 15.399 1.00 16.66 C ATOM 1223 O GLN A 86 1.677 -33.034 15.954 1.00 16.66 O ATOM 1224 CB GLN A 86 0.271 -35.190 14.745 1.00 16.66 C ATOM 1225 CG GLN A 86 -0.634 -36.369 15.109 1.00 16.66 C ATOM 1226 CD GLN A 86 -0.519 -36.654 16.607 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -1.449 -36.421 17.355 1.00 50.00 O ATOM 1228 NE2 GLN A 86 0.589 -37.154 17.081 1.00 50.00 N ATOM 0 H GLN A 86 -0.763 -33.058 13.203 1.00 16.66 H new ATOM 0 HA GLN A 86 -0.998 -33.990 16.054 1.00 16.66 H new ATOM 0 HB2 GLN A 86 0.480 -35.195 13.675 1.00 16.66 H new ATOM 0 HB3 GLN A 86 1.229 -35.281 15.258 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -1.668 -36.142 14.849 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -0.348 -37.251 14.537 1.00 16.66 H new ATOM 0 HE21 GLN A 86 1.369 -37.350 16.454 1.00 50.00 H new ATOM 0 HE22 GLN A 86 0.675 -37.349 18.078 1.00 50.00 H new ATOM 1237 N ILE A 87 0.335 -31.580 14.997 1.00 12.50 N ATOM 1238 CA ILE A 87 1.303 -30.468 15.213 1.00 12.50 C ATOM 1239 C ILE A 87 1.074 -29.819 16.581 1.00 12.50 C ATOM 1240 O ILE A 87 1.955 -29.193 17.137 1.00 12.50 O ATOM 1241 CB ILE A 87 1.013 -29.470 14.092 1.00 50.00 C ATOM 1242 CG1 ILE A 87 1.848 -28.205 14.304 1.00 50.00 C ATOM 1243 CG2 ILE A 87 -0.472 -29.107 14.105 1.00 50.00 C ATOM 1244 CD1 ILE A 87 3.326 -28.526 14.073 1.00 50.00 C ATOM 0 H ILE A 87 -0.531 -31.316 14.528 1.00 12.50 H new ATOM 0 HA ILE A 87 2.337 -30.813 15.197 1.00 12.50 H new ATOM 0 HB ILE A 87 1.270 -29.918 13.132 1.00 50.00 H new ATOM 0 HG12 ILE A 87 1.523 -27.423 13.618 1.00 50.00 H new ATOM 0 HG13 ILE A 87 1.701 -27.824 15.315 1.00 50.00 H new ATOM 0 HG21 ILE A 87 -0.680 -28.395 13.306 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -1.068 -30.007 13.953 1.00 50.00 H new ATOM 0 HG23 ILE A 87 -0.729 -28.659 15.065 1.00 50.00 H new ATOM 0 HD11 ILE A 87 3.922 -27.626 14.224 1.00 50.00 H new ATOM 0 HD12 ILE A 87 3.646 -29.295 14.777 1.00 50.00 H new ATOM 0 HD13 ILE A 87 3.465 -28.887 13.054 1.00 50.00 H new ATOM 1256 N LEU A 88 -0.103 -29.959 17.127 1.00 12.50 N ATOM 1257 CA LEU A 88 -0.383 -29.345 18.457 1.00 12.50 C ATOM 1258 C LEU A 88 -1.597 -30.015 19.106 1.00 12.50 C ATOM 1259 O LEU A 88 -2.261 -30.835 18.504 1.00 12.50 O ATOM 1260 CB LEU A 88 -0.680 -27.876 18.160 1.00 12.50 C ATOM 1261 CG LEU A 88 -2.003 -27.769 17.397 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -3.063 -27.137 18.300 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -1.807 -26.898 16.154 1.00 12.50 C ATOM 0 H LEU A 88 -0.881 -30.471 16.711 1.00 12.50 H new ATOM 0 HA LEU A 88 0.452 -29.462 19.148 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.737 -27.310 19.090 1.00 12.50 H new ATOM 0 HB3 LEU A 88 0.128 -27.442 17.571 1.00 12.50 H new ATOM 0 HG LEU A 88 -2.329 -28.764 17.095 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -4.005 -27.061 17.757 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -3.204 -27.757 19.185 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -2.737 -26.142 18.602 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -2.749 -26.822 15.611 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -1.480 -25.903 16.455 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -1.052 -27.348 15.510 1.00 12.50 H new ATOM 1275 N SER A 89 -1.891 -29.671 20.329 1.00 12.50 N ATOM 1276 CA SER A 89 -3.064 -30.285 21.015 1.00 12.50 C ATOM 1277 C SER A 89 -3.790 -29.235 21.861 1.00 12.50 C ATOM 1278 O SER A 89 -3.227 -28.222 22.225 1.00 12.50 O ATOM 1279 CB SER A 89 -2.474 -31.378 21.908 1.00 12.50 C ATOM 1280 OG SER A 89 -3.162 -32.600 21.677 1.00 12.50 O ATOM 0 H SER A 89 -1.370 -28.992 20.884 1.00 12.50 H new ATOM 0 HA SER A 89 -3.793 -30.685 20.310 1.00 12.50 H new ATOM 0 HB2 SER A 89 -1.412 -31.501 21.697 1.00 12.50 H new ATOM 0 HB3 SER A 89 -2.560 -31.092 22.956 1.00 12.50 H new ATOM 0 HG SER A 89 -2.784 -33.301 22.247 1.00 12.50 H new ATOM 1286 N ASP A 90 -5.034 -29.468 22.172 1.00 10.00 N ATOM 1287 CA ASP A 90 -5.794 -28.482 22.992 1.00 10.00 C ATOM 1288 C ASP A 90 -4.969 -28.063 24.213 1.00 10.00 C ATOM 1289 O ASP A 90 -5.156 -26.999 24.766 1.00 10.00 O ATOM 1290 CB ASP A 90 -7.059 -29.221 23.430 1.00 10.00 C ATOM 1291 CG ASP A 90 -7.893 -28.311 24.334 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -8.463 -27.362 23.821 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -7.947 -28.579 25.522 1.00 10.00 O ATOM 0 H ASP A 90 -5.558 -30.298 21.894 1.00 10.00 H new ATOM 0 HA ASP A 90 -6.025 -27.573 22.436 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -7.641 -29.517 22.557 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -6.794 -30.135 23.961 1.00 10.00 H new ATOM 1298 N GLU A 91 -4.051 -28.882 24.637 1.00 12.50 N ATOM 1299 CA GLU A 91 -3.226 -28.506 25.816 1.00 12.50 C ATOM 1300 C GLU A 91 -2.559 -27.159 25.550 1.00 12.50 C ATOM 1301 O GLU A 91 -2.492 -26.305 26.412 1.00 12.50 O ATOM 1302 CB GLU A 91 -2.183 -29.616 25.949 1.00 12.50 C ATOM 1303 CG GLU A 91 -2.201 -30.168 27.376 1.00 12.50 C ATOM 1304 CD GLU A 91 -1.348 -31.435 27.443 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -1.221 -32.095 26.425 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -0.834 -31.724 28.511 1.00 50.00 O ATOM 0 H GLU A 91 -3.837 -29.789 24.222 1.00 12.50 H new ATOM 0 HA GLU A 91 -3.812 -28.406 26.730 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -2.393 -30.414 25.237 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -1.192 -29.229 25.710 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -1.817 -29.421 28.071 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -3.224 -30.389 27.679 1.00 12.50 H new ATOM 1313 N GLU A 92 -2.082 -26.958 24.356 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.439 -25.658 24.026 1.00 10.00 C ATOM 1315 C GLU A 92 -2.519 -24.617 23.730 1.00 10.00 C ATOM 1316 O GLU A 92 -2.323 -23.432 23.915 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.599 -25.931 22.778 1.00 50.00 C ATOM 1318 CG GLU A 92 0.875 -25.656 23.085 1.00 50.00 C ATOM 1319 CD GLU A 92 1.528 -26.928 23.627 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.583 -27.900 22.892 1.00 50.00 O ATOM 1321 OE2 GLU A 92 1.962 -26.910 24.767 1.00 50.00 O ATOM 0 H GLU A 92 -2.109 -27.636 23.595 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.828 -25.273 24.843 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.728 -26.965 22.459 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.934 -25.299 21.956 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.390 -25.326 22.183 1.00 50.00 H new ATOM 0 HG3 GLU A 92 0.962 -24.851 23.814 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.665 -25.056 23.280 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.766 -24.094 22.984 1.00 10.00 C ATOM 1330 C VAL A 93 -5.470 -23.710 24.292 1.00 10.00 C ATOM 1331 O VAL A 93 -6.130 -22.695 24.379 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.729 -24.806 22.000 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -4.968 -25.824 21.140 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -6.867 -25.501 22.756 1.00 10.00 C ATOM 0 H VAL A 93 -3.885 -26.036 23.105 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.397 -23.172 22.535 1.00 10.00 H new ATOM 0 HB VAL A 93 -6.161 -24.048 21.346 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -5.662 -26.313 20.456 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -4.195 -25.311 20.568 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -4.506 -26.572 21.785 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -7.529 -25.993 22.044 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -6.451 -26.243 23.438 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -7.431 -24.762 23.325 1.00 10.00 H new ATOM 1344 N GLU A 94 -5.332 -24.520 25.309 1.00 12.50 N ATOM 1345 CA GLU A 94 -5.992 -24.203 26.609 1.00 12.50 C ATOM 1346 C GLU A 94 -4.964 -23.658 27.604 1.00 12.50 C ATOM 1347 O GLU A 94 -5.205 -22.684 28.290 1.00 12.50 O ATOM 1348 CB GLU A 94 -6.558 -25.535 27.098 1.00 12.50 C ATOM 1349 CG GLU A 94 -8.042 -25.369 27.426 1.00 12.50 C ATOM 1350 CD GLU A 94 -8.196 -24.945 28.888 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -7.226 -25.051 29.620 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -9.281 -24.522 29.251 1.00 12.50 O ATOM 0 H GLU A 94 -4.792 -25.385 25.295 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.767 -23.444 26.506 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -6.427 -26.301 26.333 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -6.015 -25.871 27.981 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -8.489 -24.622 26.770 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -8.571 -26.305 27.250 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.820 -24.280 27.689 1.00 12.50 N ATOM 1360 CA GLU A 95 -2.777 -23.799 28.640 1.00 12.50 C ATOM 1361 C GLU A 95 -1.907 -22.734 27.971 1.00 12.50 C ATOM 1362 O GLU A 95 -1.248 -21.952 28.627 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.947 -25.037 28.978 1.00 25.00 C ATOM 1364 CG GLU A 95 -2.877 -26.174 29.404 1.00 25.00 C ATOM 1365 CD GLU A 95 -2.117 -27.143 30.311 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -1.011 -26.810 30.705 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -2.654 -28.200 30.597 1.00 50.00 O ATOM 0 H GLU A 95 -3.562 -25.101 27.141 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.208 -23.344 29.532 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -1.357 -25.340 28.113 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.244 -24.809 29.779 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -3.743 -25.772 29.929 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -3.252 -26.700 28.526 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.902 -22.696 26.666 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.077 -21.681 25.953 1.00 25.00 C ATOM 1376 C LYS A 96 -1.961 -20.846 25.024 1.00 25.00 C ATOM 1377 O LYS A 96 -1.535 -19.851 24.473 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.061 -22.490 25.148 1.00 25.00 C ATOM 1379 CG LYS A 96 1.316 -22.374 25.805 1.00 25.00 C ATOM 1380 CD LYS A 96 2.398 -22.773 24.799 1.00 25.00 C ATOM 1381 CE LYS A 96 3.757 -22.262 25.285 1.00 25.00 C ATOM 1382 NZ LYS A 96 3.700 -20.785 25.095 1.00 25.00 N ATOM 0 H LYS A 96 -2.434 -23.324 26.063 1.00 25.00 H new ATOM 0 HA LYS A 96 -0.590 -20.986 26.637 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.367 -23.535 25.101 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.019 -22.124 24.122 1.00 25.00 H new ATOM 0 HG2 LYS A 96 1.482 -21.353 26.148 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.367 -23.017 26.684 1.00 25.00 H new ATOM 0 HD2 LYS A 96 2.424 -23.857 24.686 1.00 25.00 H new ATOM 0 HD3 LYS A 96 2.170 -22.356 23.818 1.00 25.00 H new ATOM 0 HE2 LYS A 96 3.925 -22.520 26.331 1.00 25.00 H new ATOM 0 HE3 LYS A 96 4.573 -22.703 24.712 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 4.400 -20.500 24.380 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 2.748 -20.512 24.776 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 3.912 -20.311 25.996 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.193 -21.242 24.853 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.108 -20.469 23.964 1.00 10.00 C ATOM 1398 C ASP A 97 -3.514 -20.349 22.560 1.00 10.00 C ATOM 1399 O ASP A 97 -3.887 -19.486 21.793 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.213 -19.088 24.612 1.00 50.00 C ATOM 1401 CG ASP A 97 -5.460 -19.034 25.497 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -6.401 -19.753 25.206 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -5.452 -18.274 26.451 1.00 50.00 O ATOM 0 H ASP A 97 -3.606 -22.066 25.290 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.080 -20.952 23.858 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -3.323 -18.885 25.207 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -4.266 -18.317 23.843 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.590 -21.202 22.217 1.00 10.00 N ATOM 1409 CA VAL A 98 -1.979 -21.119 20.860 1.00 10.00 C ATOM 1410 C VAL A 98 -2.884 -21.784 19.823 1.00 10.00 C ATOM 1411 O VAL A 98 -3.662 -22.665 20.132 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.648 -21.867 20.974 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.125 -22.198 19.573 1.00 50.00 C ATOM 1414 CG2 VAL A 98 0.371 -20.989 21.702 1.00 50.00 C ATOM 0 H VAL A 98 -2.233 -21.949 22.813 1.00 10.00 H new ATOM 0 HA VAL A 98 -1.839 -20.087 20.537 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.799 -22.790 21.534 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.823 -22.730 19.655 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -0.850 -22.824 19.053 1.00 50.00 H new ATOM 0 HG13 VAL A 98 0.025 -21.275 19.013 1.00 50.00 H new ATOM 0 HG21 VAL A 98 1.318 -21.522 21.783 1.00 50.00 H new ATOM 0 HG22 VAL A 98 0.521 -20.065 21.143 1.00 50.00 H new ATOM 0 HG23 VAL A 98 0.001 -20.753 22.700 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.786 -21.364 18.591 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.636 -21.966 17.524 1.00 10.00 C ATOM 1426 C ARG A 99 -3.089 -21.593 16.144 1.00 10.00 C ATOM 1427 O ARG A 99 -2.336 -20.650 15.998 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.024 -21.361 17.733 1.00 50.00 C ATOM 1429 CG ARG A 99 -6.036 -22.095 16.852 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.134 -23.555 17.300 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.593 -23.803 17.473 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.094 -23.929 18.671 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -7.652 -23.184 19.645 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -9.040 -24.802 18.893 1.00 50.00 N ATOM 0 H ARG A 99 -2.153 -20.629 18.277 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.656 -23.055 17.575 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.313 -21.440 18.781 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.011 -20.300 17.485 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -7.012 -21.615 16.923 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.730 -22.043 15.807 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -5.704 -24.227 16.557 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -5.592 -23.720 18.231 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.199 -23.874 16.656 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -6.914 -22.502 19.471 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -8.044 -23.283 20.581 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -9.386 -25.384 18.130 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.433 -24.902 19.829 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.461 -22.325 15.129 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.960 -22.011 13.760 1.00 10.00 C ATOM 1450 C LEU A 100 -4.032 -21.261 12.963 1.00 10.00 C ATOM 1451 O LEU A 100 -5.039 -21.820 12.579 1.00 10.00 O ATOM 1452 CB LEU A 100 -2.671 -23.370 13.124 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.654 -24.126 13.980 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -1.228 -25.405 13.256 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -0.428 -23.239 14.215 1.00 10.00 C ATOM 0 H LEU A 100 -4.090 -23.126 15.188 1.00 10.00 H new ATOM 0 HA LEU A 100 -2.076 -21.374 13.779 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -3.592 -23.947 13.039 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.284 -23.236 12.114 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.105 -24.385 14.938 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -0.503 -25.944 13.866 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -2.101 -26.036 13.088 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -0.776 -25.148 12.298 1.00 10.00 H new ATOM 0 HD21 LEU A 100 0.298 -23.776 14.825 1.00 10.00 H new ATOM 0 HD22 LEU A 100 0.023 -22.981 13.257 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.732 -22.328 14.730 1.00 10.00 H new ATOM 1467 N THR A 101 -3.822 -19.997 12.710 1.00 10.00 N ATOM 1468 CA THR A 101 -4.830 -19.215 11.938 1.00 10.00 C ATOM 1469 C THR A 101 -4.644 -19.448 10.435 1.00 10.00 C ATOM 1470 O THR A 101 -5.554 -19.260 9.653 1.00 10.00 O ATOM 1471 CB THR A 101 -4.557 -17.753 12.292 1.00 10.00 C ATOM 1472 OG1 THR A 101 -3.269 -17.384 11.818 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.615 -17.574 13.810 1.00 10.00 C ATOM 0 H THR A 101 -2.998 -19.473 13.004 1.00 10.00 H new ATOM 0 HA THR A 101 -5.852 -19.508 12.180 1.00 10.00 H new ATOM 0 HB THR A 101 -5.311 -17.119 11.825 1.00 10.00 H new ATOM 0 HG1 THR A 101 -3.094 -16.446 12.043 1.00 10.00 H new ATOM 0 HG21 THR A 101 -4.420 -16.531 14.061 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.604 -17.856 14.172 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.862 -18.207 14.280 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.473 -19.854 10.027 1.00 10.00 N ATOM 1482 CA CYS A 102 -3.235 -20.095 8.573 1.00 10.00 C ATOM 1483 C CYS A 102 -4.121 -21.241 8.077 1.00 10.00 C ATOM 1484 O CYS A 102 -4.533 -21.268 6.935 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.756 -20.471 8.465 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.467 -22.062 9.280 1.00 10.00 S ATOM 0 H CYS A 102 -2.672 -20.029 10.634 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.475 -19.222 7.966 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.462 -20.530 7.417 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -1.140 -19.699 8.926 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.417 -22.186 8.926 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.277 -23.328 8.500 1.00 10.00 C ATOM 1493 C ILE A 103 -6.388 -23.564 9.527 1.00 10.00 C ATOM 1494 O ILE A 103 -6.952 -24.637 9.608 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.336 -24.531 8.443 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.739 -24.779 9.830 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.210 -24.252 7.444 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -4.315 -26.072 10.410 1.00 50.00 C ATOM 0 H ILE A 103 -4.101 -22.218 9.895 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.763 -23.145 7.542 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.893 -25.412 8.125 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.653 -24.850 9.763 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -3.963 -23.941 10.489 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.539 -25.110 7.403 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.635 -24.077 6.456 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.653 -23.370 7.761 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.890 -26.249 11.398 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -5.398 -25.983 10.492 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -4.068 -26.907 9.754 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.706 -22.571 10.312 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.781 -22.743 11.330 1.00 10.00 C ATOM 1512 C GLY A 104 -8.884 -21.710 11.087 1.00 10.00 C ATOM 1513 O GLY A 104 -8.624 -20.591 10.693 1.00 10.00 O ATOM 0 H GLY A 104 -6.269 -21.650 10.293 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -8.193 -23.751 11.273 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.370 -22.623 12.332 1.00 10.00 H new ATOM 1517 N SER A 105 -10.114 -22.077 11.319 1.00 10.00 N ATOM 1518 CA SER A 105 -11.234 -21.116 11.101 1.00 10.00 C ATOM 1519 C SER A 105 -11.929 -20.807 12.429 1.00 10.00 C ATOM 1520 O SER A 105 -11.631 -21.409 13.441 1.00 10.00 O ATOM 1521 CB SER A 105 -12.190 -21.830 10.146 1.00 10.00 C ATOM 1522 OG SER A 105 -12.380 -21.035 8.984 1.00 10.00 O ATOM 0 H SER A 105 -10.393 -23.001 11.650 1.00 10.00 H new ATOM 0 HA SER A 105 -10.890 -20.165 10.694 1.00 10.00 H new ATOM 0 HB2 SER A 105 -11.786 -22.804 9.871 1.00 10.00 H new ATOM 0 HB3 SER A 105 -13.146 -22.009 10.638 1.00 10.00 H new ATOM 0 HG SER A 105 -11.945 -20.166 9.108 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.839 -19.873 12.378 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.592 -19.474 13.594 1.00 10.00 C ATOM 1530 C PRO A 106 -14.623 -20.548 13.962 1.00 10.00 C ATOM 1531 O PRO A 106 -15.481 -20.892 13.174 1.00 10.00 O ATOM 1532 CB PRO A 106 -14.282 -18.179 13.175 1.00 10.00 C ATOM 1533 CG PRO A 106 -14.393 -18.260 11.685 1.00 10.00 C ATOM 1534 CD PRO A 106 -13.246 -19.109 11.195 1.00 10.00 C ATOM 0 HA PRO A 106 -12.957 -19.350 14.471 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -15.264 -18.088 13.639 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -13.703 -17.307 13.480 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -15.347 -18.699 11.394 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -14.351 -17.265 11.242 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -13.555 -19.766 10.382 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -12.429 -18.495 10.816 1.00 10.00 H new ATOM 1542 N ALA A 107 -14.544 -21.080 15.152 1.00 10.00 N ATOM 1543 CA ALA A 107 -15.519 -22.133 15.564 1.00 10.00 C ATOM 1544 C ALA A 107 -16.644 -21.520 16.404 1.00 10.00 C ATOM 1545 O ALA A 107 -17.726 -22.064 16.499 1.00 10.00 O ATOM 1546 CB ALA A 107 -14.705 -23.122 16.398 1.00 50.00 C ATOM 0 H ALA A 107 -13.849 -20.832 15.856 1.00 10.00 H new ATOM 0 HA ALA A 107 -15.992 -22.613 14.707 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -15.353 -23.929 16.740 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -13.900 -23.535 15.790 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -14.281 -22.608 17.260 1.00 50.00 H new ATOM 1552 N ALA A 108 -16.399 -20.393 17.015 1.00 10.00 N ATOM 1553 CA ALA A 108 -17.459 -19.752 17.848 1.00 10.00 C ATOM 1554 C ALA A 108 -17.827 -18.383 17.271 1.00 10.00 C ATOM 1555 O ALA A 108 -17.214 -17.906 16.336 1.00 10.00 O ATOM 1556 CB ALA A 108 -16.838 -19.601 19.237 1.00 50.00 C ATOM 0 H ALA A 108 -15.513 -19.889 16.974 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.375 -20.342 17.876 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.559 -19.135 19.909 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -16.565 -20.583 19.622 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -15.947 -18.976 19.171 1.00 50.00 H new ATOM 1562 N ASP A 109 -18.824 -17.746 17.821 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.229 -16.408 17.302 1.00 50.00 C ATOM 1564 C ASP A 109 -18.144 -15.372 17.605 1.00 50.00 C ATOM 1565 O ASP A 109 -17.293 -15.091 16.783 1.00 50.00 O ATOM 1566 CB ASP A 109 -20.519 -16.069 18.049 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.719 -16.329 17.136 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.725 -15.806 16.035 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.612 -17.047 17.555 1.00 50.00 O ATOM 0 H ASP A 109 -19.375 -18.093 18.606 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.372 -16.409 16.221 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -20.598 -16.673 18.953 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -20.507 -15.025 18.363 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.162 -14.804 18.780 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.128 -13.789 19.133 1.00 10.00 C ATOM 1576 C GLU A 110 -15.920 -14.472 19.778 1.00 10.00 C ATOM 1577 O GLU A 110 -15.930 -14.797 20.948 1.00 10.00 O ATOM 1578 CB GLU A 110 -17.813 -12.854 20.128 1.00 10.00 C ATOM 1579 CG GLU A 110 -18.355 -11.631 19.385 1.00 10.00 C ATOM 1580 CD GLU A 110 -17.225 -10.622 19.173 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -16.135 -10.871 19.662 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -17.468 -9.618 18.524 1.00 50.00 O ATOM 0 H GLU A 110 -18.847 -14.998 19.510 1.00 10.00 H new ATOM 0 HA GLU A 110 -16.760 -13.251 18.259 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -18.625 -13.375 20.634 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.106 -12.542 20.897 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -18.774 -11.932 18.425 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -19.163 -11.174 19.956 1.00 10.00 H new ATOM 1589 N VAL A 111 -14.881 -14.696 19.023 1.00 10.00 N ATOM 1590 CA VAL A 111 -13.675 -15.363 19.593 1.00 10.00 C ATOM 1591 C VAL A 111 -12.540 -14.352 19.767 1.00 10.00 C ATOM 1592 O VAL A 111 -12.410 -13.410 19.011 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.289 -16.429 18.567 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -11.981 -17.097 18.997 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.397 -17.480 18.481 1.00 12.50 C ATOM 0 H VAL A 111 -14.814 -14.447 18.036 1.00 10.00 H new ATOM 0 HA VAL A 111 -13.869 -15.793 20.576 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.156 -15.964 17.590 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -11.704 -17.857 18.267 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.192 -16.347 19.057 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.114 -17.563 19.973 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.122 -18.240 17.750 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -14.532 -17.947 19.456 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.328 -17.003 18.176 1.00 12.50 H new ATOM 1605 N LYS A 112 -11.715 -14.545 20.758 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.584 -13.601 20.984 1.00 10.00 C ATOM 1607 C LYS A 112 -9.251 -14.314 20.744 1.00 10.00 C ATOM 1608 O LYS A 112 -9.050 -15.434 21.171 1.00 10.00 O ATOM 1609 CB LYS A 112 -10.715 -13.171 22.445 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.165 -12.766 22.724 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.240 -12.006 24.049 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.708 -11.777 24.419 1.00 25.00 C ATOM 1613 NZ LYS A 112 -13.891 -10.299 24.356 1.00 25.00 N ATOM 0 H LYS A 112 -11.775 -15.317 21.422 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.612 -12.747 20.308 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -10.420 -13.987 23.104 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.046 -12.336 22.652 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.541 -12.142 21.913 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -12.799 -13.652 22.765 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -11.739 -12.572 24.835 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -11.721 -11.051 23.964 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -14.375 -12.288 23.725 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -13.929 -12.161 25.415 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -14.849 -10.054 24.679 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -13.190 -9.836 24.969 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -13.762 -9.975 23.376 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.338 -13.677 20.062 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.023 -14.326 19.794 1.00 10.00 C ATOM 1629 C ILE A 113 -5.956 -13.273 19.495 1.00 10.00 C ATOM 1630 O ILE A 113 -6.217 -12.267 18.865 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.257 -15.213 18.571 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -5.947 -15.902 18.183 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -7.745 -14.354 17.404 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.238 -17.331 17.719 1.00 10.00 C ATOM 0 H ILE A 113 -8.445 -12.737 19.680 1.00 10.00 H new ATOM 0 HA ILE A 113 -6.669 -14.898 20.652 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.009 -15.966 18.807 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.452 -15.344 17.388 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.266 -15.916 19.034 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -7.912 -14.986 16.532 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.678 -13.862 17.679 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -6.994 -13.601 17.168 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.304 -17.821 17.443 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -6.714 -17.886 18.527 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.903 -17.305 16.856 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.752 -13.504 19.938 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.659 -12.524 19.677 1.00 10.00 C ATOM 1648 C VAL A 114 -2.840 -12.982 18.463 1.00 10.00 C ATOM 1649 O VAL A 114 -2.411 -14.118 18.386 1.00 10.00 O ATOM 1650 CB VAL A 114 -2.828 -12.513 20.978 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.354 -12.840 20.703 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -2.921 -11.126 21.615 1.00 50.00 C ATOM 0 H VAL A 114 -4.476 -14.329 20.470 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.017 -11.523 19.438 1.00 10.00 H new ATOM 0 HB VAL A 114 -3.228 -13.274 21.648 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -0.797 -12.824 21.640 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.279 -13.830 20.253 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -0.938 -12.099 20.021 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -2.337 -11.108 22.535 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -2.530 -10.381 20.923 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.963 -10.899 21.842 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.623 -12.111 17.516 1.00 10.00 N ATOM 1663 CA TYR A 115 -1.837 -12.504 16.313 1.00 10.00 C ATOM 1664 C TYR A 115 -0.352 -12.169 16.520 1.00 10.00 C ATOM 1665 O TYR A 115 0.005 -11.407 17.396 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.462 -11.708 15.151 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.695 -10.431 14.877 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.558 -9.458 15.877 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.122 -10.220 13.616 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -0.849 -8.282 15.616 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.412 -9.043 13.356 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.275 -8.074 14.357 1.00 50.00 C ATOM 1673 OH TYR A 115 0.426 -6.912 14.102 1.00 50.00 O ATOM 0 H TYR A 115 -2.955 -11.147 17.523 1.00 10.00 H new ATOM 0 HA TYR A 115 -1.873 -13.575 16.111 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.477 -12.325 14.252 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.498 -11.467 15.389 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.000 -9.617 16.849 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.229 -10.967 12.843 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.744 -7.533 16.387 1.00 50.00 H new ATOM 0 HE2 TYR A 115 0.030 -8.882 12.384 1.00 50.00 H new ATOM 0 HH TYR A 115 -0.006 -6.162 14.561 1.00 50.00 H new ATOM 1683 N ASN A 116 0.512 -12.743 15.726 1.00 10.00 N ATOM 1684 CA ASN A 116 1.974 -12.471 15.876 1.00 10.00 C ATOM 1685 C ASN A 116 2.510 -13.129 17.153 1.00 10.00 C ATOM 1686 O ASN A 116 3.192 -12.505 17.942 1.00 10.00 O ATOM 1687 CB ASN A 116 2.105 -10.947 15.966 1.00 10.00 C ATOM 1688 CG ASN A 116 2.991 -10.441 14.825 1.00 10.00 C ATOM 1689 OD1 ASN A 116 3.832 -11.163 14.327 1.00 10.00 O ATOM 1690 ND2 ASN A 116 2.835 -9.221 14.388 1.00 10.00 N ATOM 0 H ASN A 116 0.269 -13.391 14.977 1.00 10.00 H new ATOM 0 HA ASN A 116 2.547 -12.875 15.041 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.120 -10.483 15.909 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.535 -10.665 16.927 1.00 10.00 H new ATOM 0 HD21 ASN A 116 3.419 -8.873 13.628 1.00 10.00 H new ATOM 0 HD22 ASN A 116 2.129 -8.616 14.807 1.00 10.00 H new ATOM 1697 N ALA A 117 2.213 -14.385 17.364 1.00 10.00 N ATOM 1698 CA ALA A 117 2.714 -15.070 18.593 1.00 10.00 C ATOM 1699 C ALA A 117 4.199 -15.405 18.440 1.00 10.00 C ATOM 1700 O ALA A 117 4.890 -15.663 19.406 1.00 10.00 O ATOM 1701 CB ALA A 117 1.886 -16.348 18.706 1.00 50.00 C ATOM 0 H ALA A 117 1.648 -14.964 16.742 1.00 10.00 H new ATOM 0 HA ALA A 117 2.617 -14.445 19.481 1.00 10.00 H new ATOM 0 HB1 ALA A 117 2.198 -16.907 19.589 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.830 -16.091 18.793 1.00 50.00 H new ATOM 0 HB3 ALA A 117 2.038 -16.960 17.817 1.00 50.00 H new HETATM 1707 OH ALY A 118 6.081 -11.459 12.496 1.00 0.00 O HETATM 1708 CH ALY A 118 7.215 -11.625 12.090 1.00 0.00 C HETATM 1709 CH3 ALY A 118 7.769 -10.802 10.926 1.00 0.00 C HETATM 1710 NZ ALY A 118 8.004 -12.510 12.633 1.00 50.00 N HETATM 1711 CE ALY A 118 7.298 -13.649 13.285 1.00 50.00 C HETATM 1712 CD ALY A 118 6.815 -13.093 14.626 1.00 12.50 C HETATM 1713 CG ALY A 118 5.760 -14.031 15.215 1.00 12.50 C HETATM 1714 CB ALY A 118 6.404 -15.377 15.554 1.00 12.50 C HETATM 1715 CA ALY A 118 6.139 -15.715 17.021 1.00 12.50 C HETATM 1716 N ALY A 118 4.697 -15.401 17.235 1.00 12.50 N HETATM 1717 C ALY A 118 7.005 -14.846 17.937 1.00 12.50 C HETATM 1718 O ALY A 118 8.147 -15.159 18.210 1.00 12.50 O HETATM 0 HH33 ALY A 118 7.158 -10.969 10.039 1.00 0.00 H new HETATM 0 HH32 ALY A 118 7.748 -9.744 11.186 1.00 0.00 H new HETATM 0 HH31 ALY A 118 8.796 -11.106 10.722 1.00 0.00 H new HETATM 0 HZ ALY A 118 9.021 -12.429 12.613 1.00 50.00 H new HETATM 0 HG3 ALY A 118 4.947 -14.174 14.503 1.00 12.50 H new HETATM 0 HG2 ALY A 118 5.325 -13.589 16.111 1.00 12.50 H new HETATM 0 HE3 ALY A 118 7.965 -14.499 13.426 1.00 50.00 H new HETATM 0 HE2 ALY A 118 6.463 -13.997 12.677 1.00 50.00 H new HETATM 0 HD3 ALY A 118 6.395 -12.096 14.489 1.00 12.50 H new HETATM 0 HD2 ALY A 118 7.654 -12.994 15.314 1.00 12.50 H new HETATM 0 HCA ALY A 118 6.376 -16.754 17.248 1.00 12.50 H new HETATM 0 HB3 ALY A 118 7.477 -15.336 15.368 1.00 12.50 H new HETATM 0 HB2 ALY A 118 5.999 -16.158 14.911 1.00 12.50 H new HETATM 0 H ALY A 118 4.134 -15.042 16.464 1.00 12.50 H new ATOM 1732 N HIS A 119 6.468 -13.756 18.413 1.00 50.00 N ATOM 1733 CA HIS A 119 7.258 -12.864 19.309 1.00 50.00 C ATOM 1734 C HIS A 119 7.438 -13.515 20.684 1.00 50.00 C ATOM 1735 O HIS A 119 8.311 -13.147 21.445 1.00 50.00 O ATOM 1736 CB HIS A 119 6.425 -11.586 19.422 1.00 50.00 C ATOM 1737 CG HIS A 119 6.342 -10.924 18.073 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.468 -10.656 17.311 1.00 50.00 N ATOM 1739 CD2 HIS A 119 5.274 -10.470 17.335 1.00 50.00 C ATOM 1740 CE1 HIS A 119 7.059 -10.067 16.173 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.731 -9.929 16.137 1.00 50.00 N ATOM 0 H HIS A 119 5.516 -13.444 18.220 1.00 50.00 H new ATOM 0 HA HIS A 119 8.258 -12.668 18.922 1.00 50.00 H new ATOM 0 HB2 HIS A 119 5.425 -11.821 19.786 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.876 -10.907 20.146 1.00 50.00 H new ATOM 0 HD1 HIS A 119 8.433 -10.867 17.567 1.00 50.00 H new ATOM 0 HD2 HIS A 119 4.239 -10.525 17.639 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.723 -9.745 15.385 1.00 50.00 H new ATOM 1749 N LEU A 120 6.621 -14.481 21.008 1.00 12.50 N ATOM 1750 CA LEU A 120 6.753 -15.152 22.334 1.00 12.50 C ATOM 1751 C LEU A 120 8.225 -15.443 22.636 1.00 12.50 C ATOM 1752 O LEU A 120 8.891 -16.147 21.905 1.00 12.50 O ATOM 1753 CB LEU A 120 5.965 -16.456 22.203 1.00 12.50 C ATOM 1754 CG LEU A 120 5.417 -16.859 23.573 1.00 12.50 C ATOM 1755 CD1 LEU A 120 3.933 -16.492 23.658 1.00 12.50 C ATOM 1756 CD2 LEU A 120 5.579 -18.368 23.764 1.00 12.50 C ATOM 0 H LEU A 120 5.870 -14.834 20.414 1.00 12.50 H new ATOM 0 HA LEU A 120 6.378 -14.531 23.148 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.146 -16.329 21.495 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.607 -17.244 21.810 1.00 12.50 H new ATOM 0 HG LEU A 120 5.967 -16.332 24.353 1.00 12.50 H new ATOM 0 HD11 LEU A 120 3.543 -16.779 24.634 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.816 -15.417 23.522 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.383 -17.018 22.878 1.00 12.50 H new ATOM 0 HD21 LEU A 120 5.189 -18.655 24.740 1.00 12.50 H new ATOM 0 HD22 LEU A 120 5.029 -18.895 22.984 1.00 12.50 H new ATOM 0 HD23 LEU A 120 6.635 -18.631 23.704 1.00 12.50 H new ATOM 1768 N ASP A 121 8.738 -14.904 23.710 1.00 50.00 N ATOM 1769 CA ASP A 121 10.167 -15.150 24.058 1.00 50.00 C ATOM 1770 C ASP A 121 10.387 -16.628 24.391 1.00 50.00 C ATOM 1771 O ASP A 121 11.470 -17.155 24.233 1.00 50.00 O ATOM 1772 CB ASP A 121 10.429 -14.277 25.286 1.00 50.00 C ATOM 1773 CG ASP A 121 11.813 -14.596 25.856 1.00 50.00 C ATOM 1774 OD1 ASP A 121 12.063 -15.758 26.137 1.00 50.00 O ATOM 1775 OD2 ASP A 121 12.598 -13.674 26.003 1.00 50.00 O ATOM 0 H ASP A 121 8.230 -14.305 24.360 1.00 50.00 H new ATOM 0 HA ASP A 121 10.840 -14.910 23.235 1.00 50.00 H new ATOM 0 HB2 ASP A 121 10.370 -13.223 25.015 1.00 50.00 H new ATOM 0 HB3 ASP A 121 9.664 -14.455 26.041 1.00 50.00 H new ATOM 1780 N TYR A 122 9.368 -17.301 24.851 1.00 16.66 N ATOM 1781 CA TYR A 122 9.521 -18.745 25.193 1.00 16.66 C ATOM 1782 C TYR A 122 9.648 -19.578 23.916 1.00 16.66 C ATOM 1783 O TYR A 122 9.840 -20.777 23.962 1.00 16.66 O ATOM 1784 CB TYR A 122 8.243 -19.112 25.948 1.00 16.66 C ATOM 1785 CG TYR A 122 8.284 -20.573 26.325 1.00 16.66 C ATOM 1786 CD1 TYR A 122 9.461 -21.132 26.835 1.00 16.66 C ATOM 1787 CD2 TYR A 122 7.143 -21.370 26.165 1.00 16.66 C ATOM 1788 CE1 TYR A 122 9.499 -22.487 27.185 1.00 16.66 C ATOM 1789 CE2 TYR A 122 7.181 -22.725 26.514 1.00 16.66 C ATOM 1790 CZ TYR A 122 8.359 -23.284 27.024 1.00 16.66 C ATOM 1791 OH TYR A 122 8.397 -24.619 27.368 1.00 16.66 O ATOM 0 H TYR A 122 8.437 -16.915 25.005 1.00 16.66 H new ATOM 0 HA TYR A 122 10.414 -18.937 25.788 1.00 16.66 H new ATOM 0 HB2 TYR A 122 8.147 -18.497 26.843 1.00 16.66 H new ATOM 0 HB3 TYR A 122 7.370 -18.910 25.327 1.00 16.66 H new ATOM 0 HD1 TYR A 122 10.341 -20.518 26.959 1.00 16.66 H new ATOM 0 HD2 TYR A 122 6.234 -20.939 25.772 1.00 16.66 H new ATOM 0 HE1 TYR A 122 10.408 -22.918 27.579 1.00 16.66 H new ATOM 0 HE2 TYR A 122 6.301 -23.339 26.390 1.00 16.66 H new ATOM 0 HH TYR A 122 7.523 -25.026 27.195 1.00 16.66 H new ATOM 1801 N LEU A 123 9.541 -18.954 22.775 1.00 50.00 N ATOM 1802 CA LEU A 123 9.654 -19.714 21.497 1.00 50.00 C ATOM 1803 C LEU A 123 10.899 -19.272 20.723 1.00 50.00 C ATOM 1804 O LEU A 123 11.635 -20.084 20.197 1.00 50.00 O ATOM 1805 CB LEU A 123 8.386 -19.366 20.718 1.00 50.00 C ATOM 1806 CG LEU A 123 7.421 -20.552 20.760 1.00 50.00 C ATOM 1807 CD1 LEU A 123 6.148 -20.200 19.988 1.00 50.00 C ATOM 1808 CD2 LEU A 123 8.085 -21.774 20.121 1.00 50.00 C ATOM 0 H LEU A 123 9.380 -17.952 22.672 1.00 50.00 H new ATOM 0 HA LEU A 123 9.751 -20.787 21.662 1.00 50.00 H new ATOM 0 HB2 LEU A 123 7.913 -18.483 21.148 1.00 50.00 H new ATOM 0 HB3 LEU A 123 8.636 -19.123 19.685 1.00 50.00 H new ATOM 0 HG LEU A 123 7.167 -20.778 21.796 1.00 50.00 H new ATOM 0 HD11 LEU A 123 5.460 -21.045 20.017 1.00 50.00 H new ATOM 0 HD12 LEU A 123 5.675 -19.330 20.444 1.00 50.00 H new ATOM 0 HD13 LEU A 123 6.401 -19.974 18.952 1.00 50.00 H new ATOM 0 HD21 LEU A 123 7.397 -22.619 20.151 1.00 50.00 H new ATOM 0 HD22 LEU A 123 8.339 -21.550 19.085 1.00 50.00 H new ATOM 0 HD23 LEU A 123 8.992 -22.025 20.671 1.00 50.00 H new ATOM 1820 N GLN A 124 11.143 -17.992 20.649 1.00 50.00 N ATOM 1821 CA GLN A 124 12.342 -17.505 19.908 1.00 50.00 C ATOM 1822 C GLN A 124 13.586 -18.282 20.347 1.00 50.00 C ATOM 1823 O GLN A 124 14.560 -18.373 19.624 1.00 50.00 O ATOM 1824 CB GLN A 124 12.469 -16.029 20.285 1.00 50.00 C ATOM 1825 CG GLN A 124 12.509 -15.179 19.013 1.00 50.00 C ATOM 1826 CD GLN A 124 11.082 -14.930 18.521 1.00 50.00 C ATOM 1827 OE1 GLN A 124 10.792 -15.137 17.265 1.00 50.00 O flip ATOM 1828 NE2 GLN A 124 10.222 -14.543 19.286 1.00 50.00 N flip ATOM 0 H GLN A 124 10.565 -17.263 21.069 1.00 50.00 H new ATOM 0 HA GLN A 124 12.246 -17.642 18.831 1.00 50.00 H new ATOM 0 HB2 GLN A 124 11.628 -15.729 20.910 1.00 50.00 H new ATOM 0 HB3 GLN A 124 13.374 -15.869 20.871 1.00 50.00 H new ATOM 0 HG2 GLN A 124 13.007 -14.230 19.212 1.00 50.00 H new ATOM 0 HG3 GLN A 124 13.088 -15.687 18.241 1.00 50.00 H new ATOM 0 HE21 GLN A 124 10.448 -14.381 20.267 1.00 50.00 H new ATOM 0 HE22 GLN A 124 9.274 -14.380 18.947 1.00 50.00 H new ATOM 1837 N ASN A 125 13.561 -18.845 21.523 1.00 50.00 N ATOM 1838 CA ASN A 125 14.742 -19.617 22.007 1.00 50.00 C ATOM 1839 C ASN A 125 15.124 -20.690 20.984 1.00 50.00 C ATOM 1840 O ASN A 125 16.233 -21.187 20.975 1.00 50.00 O ATOM 1841 CB ASN A 125 14.285 -20.262 23.316 1.00 50.00 C ATOM 1842 CG ASN A 125 14.823 -19.451 24.497 1.00 50.00 C ATOM 1843 OD1 ASN A 125 15.017 -18.256 24.390 1.00 50.00 O ATOM 1844 ND2 ASN A 125 15.072 -20.053 25.627 1.00 50.00 N ATOM 0 H ASN A 125 12.774 -18.804 22.171 1.00 50.00 H new ATOM 0 HA ASN A 125 15.619 -18.986 22.150 1.00 50.00 H new ATOM 0 HB2 ASN A 125 13.196 -20.302 23.354 1.00 50.00 H new ATOM 0 HB3 ASN A 125 14.644 -21.290 23.373 1.00 50.00 H new ATOM 0 HD21 ASN A 125 15.429 -19.521 26.420 1.00 50.00 H new ATOM 0 HD22 ASN A 125 14.909 -21.056 25.717 1.00 50.00 H new ATOM 1851 N ARG A 126 14.213 -21.051 20.120 1.00 50.00 N ATOM 1852 CA ARG A 126 14.524 -22.091 19.098 1.00 50.00 C ATOM 1853 C ARG A 126 15.429 -21.509 18.009 1.00 50.00 C ATOM 1854 O ARG A 126 15.909 -22.215 17.144 1.00 50.00 O ATOM 1855 CB ARG A 126 13.168 -22.489 18.514 1.00 50.00 C ATOM 1856 CG ARG A 126 13.218 -23.946 18.052 1.00 50.00 C ATOM 1857 CD ARG A 126 12.800 -24.030 16.582 1.00 50.00 C ATOM 1858 NE ARG A 126 12.227 -25.397 16.426 1.00 50.00 N ATOM 1859 CZ ARG A 126 11.075 -25.559 15.834 1.00 50.00 C ATOM 1860 NH1 ARG A 126 11.030 -25.982 14.600 1.00 50.00 N ATOM 1861 NH2 ARG A 126 9.968 -25.299 16.474 1.00 50.00 N ATOM 0 H ARG A 126 13.268 -20.671 20.078 1.00 50.00 H new ATOM 0 HA ARG A 126 15.051 -22.945 19.524 1.00 50.00 H new ATOM 0 HB2 ARG A 126 12.386 -22.361 19.263 1.00 50.00 H new ATOM 0 HB3 ARG A 126 12.917 -21.839 17.676 1.00 50.00 H new ATOM 0 HG2 ARG A 126 14.225 -24.344 18.178 1.00 50.00 H new ATOM 0 HG3 ARG A 126 12.555 -24.556 18.665 1.00 50.00 H new ATOM 0 HD2 ARG A 126 12.066 -23.263 16.335 1.00 50.00 H new ATOM 0 HD3 ARG A 126 13.652 -23.880 15.919 1.00 50.00 H new ATOM 0 HE ARG A 126 12.735 -26.206 16.782 1.00 50.00 H new ATOM 0 HH11 ARG A 126 11.895 -26.186 14.099 1.00 50.00 H new ATOM 0 HH12 ARG A 126 10.130 -26.109 14.137 1.00 50.00 H new ATOM 0 HH21 ARG A 126 10.002 -24.969 17.438 1.00 50.00 H new ATOM 0 HH22 ARG A 126 9.069 -25.426 16.010 1.00 50.00 H new ATOM 1875 N VAL A 127 15.666 -20.226 18.043 1.00 50.00 N ATOM 1876 CA VAL A 127 16.539 -19.601 17.010 1.00 50.00 C ATOM 1877 C VAL A 127 18.008 -19.934 17.287 1.00 50.00 C ATOM 1878 O VAL A 127 18.808 -20.057 16.381 1.00 50.00 O ATOM 1879 CB VAL A 127 16.298 -18.098 17.144 1.00 50.00 C ATOM 1880 CG1 VAL A 127 17.289 -17.340 16.258 1.00 50.00 C ATOM 1881 CG2 VAL A 127 14.869 -17.769 16.706 1.00 50.00 C ATOM 0 H VAL A 127 15.293 -19.584 18.742 1.00 50.00 H new ATOM 0 HA VAL A 127 16.314 -19.963 16.007 1.00 50.00 H new ATOM 0 HB VAL A 127 16.438 -17.800 18.183 1.00 50.00 H new ATOM 0 HG11 VAL A 127 17.117 -16.268 16.354 1.00 50.00 H new ATOM 0 HG12 VAL A 127 18.307 -17.573 16.569 1.00 50.00 H new ATOM 0 HG13 VAL A 127 17.150 -17.638 15.219 1.00 50.00 H new ATOM 0 HG21 VAL A 127 14.697 -16.697 16.802 1.00 50.00 H new ATOM 0 HG22 VAL A 127 14.729 -18.068 15.667 1.00 50.00 H new ATOM 0 HG23 VAL A 127 14.162 -18.308 17.337 1.00 50.00 H new ATOM 1891 N ILE A 128 18.367 -20.081 18.532 1.00 50.00 N ATOM 1892 CA ILE A 128 19.784 -20.407 18.867 1.00 50.00 C ATOM 1893 C ILE A 128 20.028 -21.913 18.731 1.00 50.00 C ATOM 1894 O ILE A 128 19.536 -22.650 19.569 1.00 50.00 O ATOM 1895 CB ILE A 128 19.958 -19.963 20.318 1.00 50.00 C ATOM 1896 CG1 ILE A 128 19.827 -18.441 20.405 1.00 50.00 C ATOM 1897 CG2 ILE A 128 21.342 -20.384 20.817 1.00 50.00 C ATOM 1898 CD1 ILE A 128 20.933 -17.785 19.577 1.00 50.00 C ATOM 1899 OXT ILE A 128 20.705 -22.301 17.793 1.00 50.00 O ATOM 0 H ILE A 128 17.742 -19.990 19.333 1.00 50.00 H new ATOM 0 HA ILE A 128 20.491 -19.912 18.202 1.00 50.00 H new ATOM 0 HB ILE A 128 19.191 -20.430 20.935 1.00 50.00 H new ATOM 0 HG12 ILE A 128 18.849 -18.128 20.038 1.00 50.00 H new ATOM 0 HG13 ILE A 128 19.896 -18.118 21.444 1.00 50.00 H new ATOM 0 HG21 ILE A 128 21.467 -20.068 21.853 1.00 50.00 H new ATOM 0 HG22 ILE A 128 21.437 -21.468 20.755 1.00 50.00 H new ATOM 0 HG23 ILE A 128 22.109 -19.917 20.200 1.00 50.00 H new ATOM 0 HD11 ILE A 128 20.840 -16.701 19.639 1.00 50.00 H new ATOM 0 HD12 ILE A 128 21.906 -18.088 19.964 1.00 50.00 H new ATOM 0 HD13 ILE A 128 20.843 -18.098 18.537 1.00 50.00 H new TER 1911 ILE A 128 HETATM 1912 FE1 FES A 130 2.658 -23.397 9.675 1.00 0.00 FE HETATM 1913 FE2 FES A 130 0.473 -22.002 10.317 1.00 0.00 FE HETATM 1914 S1 FES A 130 2.088 -21.369 8.881 1.00 0.00 S HETATM 1915 S2 FES A 130 1.013 -24.054 11.064 1.00 0.00 S