USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot -73:sc= 0.772 USER MOD Set 1.2: A 59 GLN : amide:sc= -0.802 X(o=-0.03,f=-0.19) USER MOD Set 2.1: A 55 CYS SG : rot 179:sc= -1.45! USER MOD Set 2.2: A 76 TYR OH : rot 156:sc= -0.238 USER MOD Set 3.1: A 28 SER OG : rot 60:sc= 0.0815 USER MOD Set 3.2: A 30 GLN : amide:sc= 0.0841 X(o=0.17,f=0) USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 4 HIS : no HD1:sc= 0 X(o=-0.28,f=-0.28) USER MOD Set 5.2: A 15 ASN : amide:sc= -0.282 K(o=-0.28,f=-3.2!) USER MOD Single : A 1 MET CE :methyl -158:sc= -2.19 (180deg=-2.64!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -100:sc=-0.00163 USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= 0.83 (180deg=0.276) USER MOD Single : A 39 THR OG1 : rot 69:sc= 1.21 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 80:sc= 1.28 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 69 GLN : amide:sc= -1.25 K(o=-1.3,f=-3!) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0.424 (180deg=0.35) USER MOD Single : A 72 THR OG1 : rot 81:sc= 1.16 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.034) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.874 -5.314 5.291 1.00 0.00 N ATOM 2 CA MET A 1 5.888 -5.200 4.222 1.00 0.00 C ATOM 3 C MET A 1 6.489 -6.582 3.954 1.00 0.00 C ATOM 4 O MET A 1 7.164 -7.155 4.817 1.00 0.00 O ATOM 5 CB MET A 1 6.983 -4.156 4.602 1.00 0.00 C ATOM 6 CG MET A 1 8.035 -3.851 3.505 1.00 0.00 C ATOM 7 SD MET A 1 9.137 -5.245 3.163 1.00 0.00 S ATOM 8 CE MET A 1 10.308 -4.517 2.020 1.00 0.00 C ATOM 0 H1 MET A 1 4.461 -4.378 5.479 1.00 0.00 H new ATOM 0 H2 MET A 1 4.125 -5.969 4.990 1.00 0.00 H new ATOM 0 H3 MET A 1 5.322 -5.675 6.157 1.00 0.00 H new ATOM 0 HA MET A 1 5.416 -4.841 3.307 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.490 -3.223 4.875 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.505 -4.512 5.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.521 -3.570 2.586 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.632 -2.992 3.812 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.784 -5.305 1.436 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.786 -3.834 1.350 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.068 -3.969 2.577 1.00 0.00 H new ATOM 18 N LEU A 2 6.188 -7.127 2.772 1.00 0.00 N ATOM 19 CA LEU A 2 6.762 -8.390 2.273 1.00 0.00 C ATOM 20 C LEU A 2 7.286 -8.173 0.850 1.00 0.00 C ATOM 21 O LEU A 2 6.746 -7.344 0.105 1.00 0.00 O ATOM 22 CB LEU A 2 5.699 -9.533 2.346 1.00 0.00 C ATOM 23 CG LEU A 2 4.308 -9.286 1.635 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.318 -9.641 0.131 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.173 -10.030 2.366 1.00 0.00 C ATOM 0 H LEU A 2 5.529 -6.700 2.121 1.00 0.00 H new ATOM 0 HA LEU A 2 7.600 -8.697 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.142 -10.431 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.506 -9.745 3.397 1.00 0.00 H new ATOM 0 HG LEU A 2 4.123 -8.214 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.333 -9.448 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.061 -9.031 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.566 -10.695 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.228 -9.843 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.380 -11.100 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.107 -9.674 3.394 1.00 0.00 H new ATOM 37 N LEU A 3 8.348 -8.898 0.493 1.00 0.00 N ATOM 38 CA LEU A 3 8.952 -8.845 -0.839 1.00 0.00 C ATOM 39 C LEU A 3 8.007 -9.476 -1.879 1.00 0.00 C ATOM 40 O LEU A 3 7.855 -10.701 -1.915 1.00 0.00 O ATOM 41 CB LEU A 3 10.308 -9.608 -0.821 1.00 0.00 C ATOM 42 CG LEU A 3 11.303 -9.234 0.332 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.596 -10.078 0.255 1.00 0.00 C ATOM 44 CD2 LEU A 3 11.612 -7.716 0.351 1.00 0.00 C ATOM 0 H LEU A 3 8.817 -9.545 1.127 1.00 0.00 H new ATOM 0 HA LEU A 3 9.124 -7.804 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.098 -10.676 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.809 -9.437 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 3 10.813 -9.473 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.265 -9.794 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.346 -11.135 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.090 -9.900 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.305 -7.496 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.061 -7.424 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.688 -7.158 0.501 1.00 0.00 H new ATOM 56 N HIS A 4 7.326 -8.622 -2.670 1.00 0.00 N ATOM 57 CA HIS A 4 6.561 -9.037 -3.878 1.00 0.00 C ATOM 58 C HIS A 4 7.374 -9.975 -4.820 1.00 0.00 C ATOM 59 O HIS A 4 6.796 -10.801 -5.531 1.00 0.00 O ATOM 60 CB HIS A 4 6.091 -7.765 -4.634 1.00 0.00 C ATOM 61 CG HIS A 4 5.411 -8.024 -5.962 1.00 0.00 C ATOM 62 ND1 HIS A 4 6.051 -7.847 -7.173 1.00 0.00 N ATOM 63 CD2 HIS A 4 4.167 -8.473 -6.261 1.00 0.00 C ATOM 64 CE1 HIS A 4 5.231 -8.170 -8.153 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.086 -8.555 -7.627 1.00 0.00 N ATOM 0 H HIS A 4 7.287 -7.618 -2.493 1.00 0.00 H new ATOM 0 HA HIS A 4 5.700 -9.620 -3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.404 -7.213 -3.993 1.00 0.00 H new ATOM 0 HB3 HIS A 4 6.955 -7.122 -4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.387 -8.720 -5.556 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.459 -8.126 -9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 4 3.269 -8.865 -8.153 1.00 0.00 H new ATOM 74 N SER A 5 8.704 -9.831 -4.797 1.00 0.00 N ATOM 75 CA SER A 5 9.635 -10.670 -5.567 1.00 0.00 C ATOM 76 C SER A 5 11.001 -10.700 -4.864 1.00 0.00 C ATOM 77 O SER A 5 11.415 -9.700 -4.267 1.00 0.00 O ATOM 78 CB SER A 5 9.760 -10.131 -7.013 1.00 0.00 C ATOM 79 OG SER A 5 10.017 -8.736 -7.033 1.00 0.00 O ATOM 0 H SER A 5 9.172 -9.119 -4.236 1.00 0.00 H new ATOM 0 HA SER A 5 9.253 -11.690 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.564 -10.656 -7.529 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.840 -10.339 -7.560 1.00 0.00 H new ATOM 0 HG SER A 5 10.092 -8.430 -7.961 1.00 0.00 H new ATOM 85 N VAL A 6 11.677 -11.861 -4.924 1.00 0.00 N ATOM 86 CA VAL A 6 13.040 -12.038 -4.397 1.00 0.00 C ATOM 87 C VAL A 6 13.739 -13.165 -5.170 1.00 0.00 C ATOM 88 O VAL A 6 13.118 -14.194 -5.479 1.00 0.00 O ATOM 89 CB VAL A 6 13.059 -12.352 -2.848 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.375 -13.704 -2.510 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.505 -12.281 -2.284 1.00 0.00 C ATOM 0 H VAL A 6 11.290 -12.707 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 6 13.571 -11.096 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 6 12.469 -11.579 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.415 -13.873 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.335 -13.677 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.895 -14.513 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.490 -12.501 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.132 -13.011 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.909 -11.281 -2.443 1.00 0.00 H new ATOM 101 N GLU A 7 15.013 -12.956 -5.512 1.00 0.00 N ATOM 102 CA GLU A 7 15.834 -13.995 -6.140 1.00 0.00 C ATOM 103 C GLU A 7 16.402 -14.928 -5.052 1.00 0.00 C ATOM 104 O GLU A 7 16.809 -14.477 -3.970 1.00 0.00 O ATOM 105 CB GLU A 7 16.979 -13.385 -6.990 1.00 0.00 C ATOM 106 CG GLU A 7 17.814 -14.426 -7.764 1.00 0.00 C ATOM 107 CD GLU A 7 19.030 -13.817 -8.468 1.00 0.00 C ATOM 108 OE1 GLU A 7 20.059 -13.586 -7.794 1.00 0.00 O ATOM 109 OE2 GLU A 7 18.972 -13.568 -9.686 1.00 0.00 O ATOM 0 H GLU A 7 15.500 -12.072 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 7 15.202 -14.570 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.552 -12.677 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.641 -12.819 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.151 -15.199 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.180 -14.914 -8.504 1.00 0.00 H new ATOM 116 N THR A 8 16.403 -16.227 -5.351 1.00 0.00 N ATOM 117 CA THR A 8 16.920 -17.282 -4.470 1.00 0.00 C ATOM 118 C THR A 8 17.963 -18.121 -5.256 1.00 0.00 C ATOM 119 O THR A 8 17.954 -18.092 -6.489 1.00 0.00 O ATOM 120 CB THR A 8 15.745 -18.198 -3.983 1.00 0.00 C ATOM 121 OG1 THR A 8 15.042 -18.725 -5.114 1.00 0.00 O ATOM 122 CG2 THR A 8 14.744 -17.455 -3.085 1.00 0.00 C ATOM 0 H THR A 8 16.036 -16.587 -6.232 1.00 0.00 H new ATOM 0 HA THR A 8 17.393 -16.835 -3.595 1.00 0.00 H new ATOM 0 HB THR A 8 16.194 -18.998 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.225 -18.205 -5.262 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.953 -18.139 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.259 -17.076 -2.202 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.309 -16.621 -3.637 1.00 0.00 H new ATOM 130 N PRO A 9 18.892 -18.875 -4.581 1.00 0.00 N ATOM 131 CA PRO A 9 19.792 -19.836 -5.277 1.00 0.00 C ATOM 132 C PRO A 9 19.002 -21.002 -5.925 1.00 0.00 C ATOM 133 O PRO A 9 19.471 -21.640 -6.870 1.00 0.00 O ATOM 134 CB PRO A 9 20.743 -20.338 -4.154 1.00 0.00 C ATOM 135 CG PRO A 9 19.990 -20.077 -2.882 1.00 0.00 C ATOM 136 CD PRO A 9 19.193 -18.811 -3.130 1.00 0.00 C ATOM 0 HA PRO A 9 20.331 -19.375 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 9 20.971 -21.398 -4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 9 21.693 -19.804 -4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.333 -20.912 -2.637 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.673 -19.952 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 9 18.283 -18.785 -2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.766 -17.919 -2.877 1.00 0.00 H new ATOM 144 N ARG A 10 17.793 -21.254 -5.389 1.00 0.00 N ATOM 145 CA ARG A 10 16.855 -22.281 -5.901 1.00 0.00 C ATOM 146 C ARG A 10 15.940 -21.738 -7.033 1.00 0.00 C ATOM 147 O ARG A 10 15.099 -22.481 -7.562 1.00 0.00 O ATOM 148 CB ARG A 10 16.006 -22.844 -4.722 1.00 0.00 C ATOM 149 CG ARG A 10 15.250 -21.771 -3.903 1.00 0.00 C ATOM 150 CD ARG A 10 14.471 -22.338 -2.710 1.00 0.00 C ATOM 151 NE ARG A 10 13.407 -23.255 -3.131 1.00 0.00 N ATOM 152 CZ ARG A 10 12.783 -24.125 -2.334 1.00 0.00 C ATOM 153 NH1 ARG A 10 13.151 -24.274 -1.064 1.00 0.00 N ATOM 154 NH2 ARG A 10 11.811 -24.870 -2.829 1.00 0.00 N ATOM 0 H ARG A 10 17.433 -20.747 -4.580 1.00 0.00 H new ATOM 0 HA ARG A 10 17.446 -23.084 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.282 -23.555 -5.120 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.662 -23.399 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.966 -21.033 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.557 -21.246 -4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.158 -22.861 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.037 -21.518 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 10 13.121 -23.226 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.920 -23.719 -0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.664 -24.943 -0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.546 -24.776 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.326 -25.539 -2.231 1.00 0.00 H new ATOM 168 N GLY A 11 16.098 -20.445 -7.390 1.00 0.00 N ATOM 169 CA GLY A 11 15.358 -19.823 -8.507 1.00 0.00 C ATOM 170 C GLY A 11 14.889 -18.408 -8.181 1.00 0.00 C ATOM 171 O GLY A 11 15.710 -17.517 -7.946 1.00 0.00 O ATOM 0 H GLY A 11 16.738 -19.808 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.995 -19.796 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.495 -20.440 -8.755 1.00 0.00 H new ATOM 175 N GLU A 12 13.568 -18.191 -8.193 1.00 0.00 N ATOM 176 CA GLU A 12 12.937 -16.947 -7.710 1.00 0.00 C ATOM 177 C GLU A 12 11.645 -17.309 -6.952 1.00 0.00 C ATOM 178 O GLU A 12 10.993 -18.314 -7.270 1.00 0.00 O ATOM 179 CB GLU A 12 12.632 -15.983 -8.900 1.00 0.00 C ATOM 180 CG GLU A 12 11.984 -14.643 -8.486 1.00 0.00 C ATOM 181 CD GLU A 12 11.515 -13.792 -9.669 1.00 0.00 C ATOM 182 OE1 GLU A 12 10.483 -14.138 -10.282 1.00 0.00 O ATOM 183 OE2 GLU A 12 12.168 -12.776 -9.997 1.00 0.00 O ATOM 0 H GLU A 12 12.898 -18.877 -8.540 1.00 0.00 H new ATOM 0 HA GLU A 12 13.620 -16.428 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.561 -15.775 -9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.971 -16.491 -9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.132 -14.847 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.701 -14.069 -7.899 1.00 0.00 H new ATOM 190 N ILE A 13 11.286 -16.488 -5.953 1.00 0.00 N ATOM 191 CA ILE A 13 10.087 -16.668 -5.118 1.00 0.00 C ATOM 192 C ILE A 13 9.359 -15.307 -5.021 1.00 0.00 C ATOM 193 O ILE A 13 10.006 -14.266 -4.867 1.00 0.00 O ATOM 194 CB ILE A 13 10.445 -17.196 -3.665 1.00 0.00 C ATOM 195 CG1 ILE A 13 11.297 -18.513 -3.703 1.00 0.00 C ATOM 196 CG2 ILE A 13 9.162 -17.420 -2.837 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.581 -19.733 -4.253 1.00 0.00 C ATOM 0 H ILE A 13 11.831 -15.665 -5.698 1.00 0.00 H new ATOM 0 HA ILE A 13 9.447 -17.420 -5.580 1.00 0.00 H new ATOM 0 HB ILE A 13 11.052 -16.426 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 13 12.188 -18.333 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.636 -18.736 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.428 -17.782 -1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.618 -16.480 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.532 -18.157 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.256 -20.589 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.706 -19.949 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.266 -19.539 -5.278 1.00 0.00 H new ATOM 209 N LEU A 14 8.020 -15.325 -5.123 1.00 0.00 N ATOM 210 CA LEU A 14 7.179 -14.112 -5.048 1.00 0.00 C ATOM 211 C LEU A 14 6.404 -14.081 -3.725 1.00 0.00 C ATOM 212 O LEU A 14 6.136 -15.141 -3.146 1.00 0.00 O ATOM 213 CB LEU A 14 6.180 -14.082 -6.240 1.00 0.00 C ATOM 214 CG LEU A 14 6.796 -14.191 -7.670 1.00 0.00 C ATOM 215 CD1 LEU A 14 5.698 -14.181 -8.746 1.00 0.00 C ATOM 216 CD2 LEU A 14 7.849 -13.095 -7.935 1.00 0.00 C ATOM 0 H LEU A 14 7.485 -16.183 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 14 7.827 -13.237 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.471 -14.900 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.610 -13.154 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 14 7.315 -15.148 -7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.155 -14.258 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.028 -15.026 -8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.132 -13.252 -8.680 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.250 -13.211 -8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.384 -12.114 -7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.658 -13.185 -7.210 1.00 0.00 H new ATOM 228 N ASN A 15 6.069 -12.857 -3.279 1.00 0.00 N ATOM 229 CA ASN A 15 5.168 -12.573 -2.140 1.00 0.00 C ATOM 230 C ASN A 15 5.552 -13.345 -0.869 1.00 0.00 C ATOM 231 O ASN A 15 4.785 -14.169 -0.347 1.00 0.00 O ATOM 232 CB ASN A 15 3.680 -12.803 -2.533 1.00 0.00 C ATOM 233 CG ASN A 15 3.224 -11.985 -3.747 1.00 0.00 C ATOM 234 OD1 ASN A 15 3.730 -10.895 -4.014 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.263 -12.509 -4.493 1.00 0.00 N ATOM 0 H ASN A 15 6.429 -12.007 -3.714 1.00 0.00 H new ATOM 0 HA ASN A 15 5.290 -11.518 -1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.530 -13.862 -2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.047 -12.554 -1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.923 -12.007 -5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.863 -13.414 -4.247 1.00 0.00 H new ATOM 242 N VAL A 16 6.780 -13.098 -0.410 1.00 0.00 N ATOM 243 CA VAL A 16 7.309 -13.659 0.843 1.00 0.00 C ATOM 244 C VAL A 16 7.936 -12.549 1.679 1.00 0.00 C ATOM 245 O VAL A 16 8.516 -11.609 1.137 1.00 0.00 O ATOM 246 CB VAL A 16 8.374 -14.797 0.602 1.00 0.00 C ATOM 247 CG1 VAL A 16 7.719 -16.041 -0.034 1.00 0.00 C ATOM 248 CG2 VAL A 16 9.575 -14.296 -0.247 1.00 0.00 C ATOM 0 H VAL A 16 7.444 -12.498 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 16 6.468 -14.108 1.371 1.00 0.00 H new ATOM 0 HB VAL A 16 8.769 -15.085 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.475 -16.811 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.943 -16.423 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.275 -15.769 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.285 -15.111 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.217 -13.953 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.067 -13.472 0.270 1.00 0.00 H new ATOM 258 N SER A 17 7.807 -12.661 2.999 1.00 0.00 N ATOM 259 CA SER A 17 8.464 -11.752 3.938 1.00 0.00 C ATOM 260 C SER A 17 9.955 -12.118 4.039 1.00 0.00 C ATOM 261 O SER A 17 10.319 -13.277 3.830 1.00 0.00 O ATOM 262 CB SER A 17 7.759 -11.846 5.305 1.00 0.00 C ATOM 263 OG SER A 17 8.296 -10.937 6.237 1.00 0.00 O ATOM 0 H SER A 17 7.245 -13.384 3.449 1.00 0.00 H new ATOM 0 HA SER A 17 8.394 -10.721 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.694 -11.650 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.852 -12.861 5.692 1.00 0.00 H new ATOM 0 HG SER A 17 7.822 -11.025 7.090 1.00 0.00 H new ATOM 269 N GLU A 18 10.802 -11.125 4.371 1.00 0.00 N ATOM 270 CA GLU A 18 12.270 -11.310 4.511 1.00 0.00 C ATOM 271 C GLU A 18 12.624 -12.407 5.547 1.00 0.00 C ATOM 272 O GLU A 18 13.705 -13.010 5.478 1.00 0.00 O ATOM 273 CB GLU A 18 12.933 -9.975 4.917 1.00 0.00 C ATOM 274 CG GLU A 18 12.808 -8.856 3.862 1.00 0.00 C ATOM 275 CD GLU A 18 13.485 -7.537 4.266 1.00 0.00 C ATOM 276 OE1 GLU A 18 14.675 -7.571 4.631 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.840 -6.464 4.226 1.00 0.00 O ATOM 0 H GLU A 18 10.494 -10.170 4.551 1.00 0.00 H new ATOM 0 HA GLU A 18 12.652 -11.635 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.486 -9.630 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.990 -10.154 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.243 -9.204 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.752 -8.667 3.672 1.00 0.00 H new ATOM 284 N GLN A 19 11.694 -12.642 6.494 1.00 0.00 N ATOM 285 CA GLN A 19 11.824 -13.682 7.527 1.00 0.00 C ATOM 286 C GLN A 19 11.849 -15.086 6.886 1.00 0.00 C ATOM 287 O GLN A 19 12.840 -15.815 7.002 1.00 0.00 O ATOM 288 CB GLN A 19 10.662 -13.561 8.549 1.00 0.00 C ATOM 289 CG GLN A 19 10.546 -12.176 9.223 1.00 0.00 C ATOM 290 CD GLN A 19 9.459 -12.116 10.297 1.00 0.00 C ATOM 291 OE1 GLN A 19 8.309 -11.791 10.012 1.00 0.00 O ATOM 292 NE2 GLN A 19 9.817 -12.434 11.536 1.00 0.00 N ATOM 0 H GLN A 19 10.826 -12.110 6.562 1.00 0.00 H new ATOM 0 HA GLN A 19 12.767 -13.538 8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.723 -13.784 8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.794 -14.318 9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.505 -11.916 9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.336 -11.425 8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.781 -12.699 11.736 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.128 -12.413 12.287 1.00 0.00 H new ATOM 301 N GLU A 20 10.759 -15.418 6.174 1.00 0.00 N ATOM 302 CA GLU A 20 10.579 -16.736 5.523 1.00 0.00 C ATOM 303 C GLU A 20 11.556 -16.924 4.345 1.00 0.00 C ATOM 304 O GLU A 20 12.041 -18.040 4.111 1.00 0.00 O ATOM 305 CB GLU A 20 9.119 -16.888 5.030 1.00 0.00 C ATOM 306 CG GLU A 20 8.822 -18.211 4.296 1.00 0.00 C ATOM 307 CD GLU A 20 7.357 -18.350 3.867 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.974 -17.774 2.827 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.578 -19.015 4.573 1.00 0.00 O ATOM 0 H GLU A 20 9.974 -14.782 6.031 1.00 0.00 H new ATOM 0 HA GLU A 20 10.795 -17.507 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.450 -16.805 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.887 -16.058 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.460 -18.281 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.084 -19.046 4.946 1.00 0.00 H new ATOM 316 N ALA A 21 11.788 -15.829 3.595 1.00 0.00 N ATOM 317 CA ALA A 21 12.763 -15.788 2.487 1.00 0.00 C ATOM 318 C ALA A 21 14.117 -16.408 2.896 1.00 0.00 C ATOM 319 O ALA A 21 14.583 -17.341 2.248 1.00 0.00 O ATOM 320 CB ALA A 21 12.946 -14.341 2.002 1.00 0.00 C ATOM 0 H ALA A 21 11.302 -14.944 3.741 1.00 0.00 H new ATOM 0 HA ALA A 21 12.370 -16.388 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.667 -14.320 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.990 -13.951 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.311 -13.725 2.824 1.00 0.00 H new ATOM 326 N ARG A 22 14.688 -15.938 4.019 1.00 0.00 N ATOM 327 CA ARG A 22 15.968 -16.467 4.545 1.00 0.00 C ATOM 328 C ARG A 22 15.792 -17.845 5.209 1.00 0.00 C ATOM 329 O ARG A 22 16.705 -18.672 5.153 1.00 0.00 O ATOM 330 CB ARG A 22 16.595 -15.464 5.554 1.00 0.00 C ATOM 331 CG ARG A 22 17.223 -14.232 4.881 1.00 0.00 C ATOM 332 CD ARG A 22 17.678 -13.148 5.863 1.00 0.00 C ATOM 333 NE ARG A 22 16.534 -12.537 6.562 1.00 0.00 N ATOM 334 CZ ARG A 22 16.330 -11.222 6.726 1.00 0.00 C ATOM 335 NH1 ARG A 22 17.203 -10.319 6.271 1.00 0.00 N ATOM 336 NH2 ARG A 22 15.244 -10.825 7.371 1.00 0.00 N ATOM 0 H ARG A 22 14.285 -15.191 4.584 1.00 0.00 H new ATOM 0 HA ARG A 22 16.641 -16.592 3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.826 -15.135 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.358 -15.978 6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.079 -14.552 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.499 -13.800 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.362 -13.581 6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.231 -12.378 5.325 1.00 0.00 H new ATOM 0 HE ARG A 22 15.837 -13.169 6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.047 -10.625 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.026 -9.324 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.584 -11.514 7.731 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.067 -9.830 7.508 1.00 0.00 H new ATOM 350 N ASP A 23 14.619 -18.092 5.818 1.00 0.00 N ATOM 351 CA ASP A 23 14.406 -19.280 6.674 1.00 0.00 C ATOM 352 C ASP A 23 14.209 -20.555 5.834 1.00 0.00 C ATOM 353 O ASP A 23 15.031 -21.474 5.892 1.00 0.00 O ATOM 354 CB ASP A 23 13.189 -19.058 7.611 1.00 0.00 C ATOM 355 CG ASP A 23 13.010 -20.190 8.634 1.00 0.00 C ATOM 356 OD1 ASP A 23 13.804 -20.257 9.598 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.074 -21.004 8.495 1.00 0.00 O ATOM 0 H ASP A 23 13.802 -17.487 5.735 1.00 0.00 H new ATOM 0 HA ASP A 23 15.301 -19.417 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.311 -18.113 8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.284 -18.972 7.009 1.00 0.00 H new ATOM 362 N VAL A 24 13.138 -20.573 5.028 1.00 0.00 N ATOM 363 CA VAL A 24 12.741 -21.747 4.232 1.00 0.00 C ATOM 364 C VAL A 24 13.499 -21.778 2.895 1.00 0.00 C ATOM 365 O VAL A 24 14.082 -22.801 2.521 1.00 0.00 O ATOM 366 CB VAL A 24 11.184 -21.745 3.965 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.735 -23.026 3.210 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.388 -21.567 5.287 1.00 0.00 C ATOM 0 H VAL A 24 12.519 -19.771 4.908 1.00 0.00 H new ATOM 0 HA VAL A 24 12.997 -22.639 4.803 1.00 0.00 H new ATOM 0 HB VAL A 24 10.963 -20.891 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.658 -22.991 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.249 -23.082 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.982 -23.905 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.320 -21.570 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.623 -22.386 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.662 -20.620 5.752 1.00 0.00 H new ATOM 378 N PHE A 25 13.494 -20.638 2.190 1.00 0.00 N ATOM 379 CA PHE A 25 13.990 -20.555 0.801 1.00 0.00 C ATOM 380 C PHE A 25 15.498 -20.302 0.736 1.00 0.00 C ATOM 381 O PHE A 25 16.119 -20.583 -0.297 1.00 0.00 O ATOM 382 CB PHE A 25 13.208 -19.461 0.033 1.00 0.00 C ATOM 383 CG PHE A 25 11.702 -19.715 0.036 1.00 0.00 C ATOM 384 CD1 PHE A 25 11.170 -20.803 -0.659 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.825 -18.892 0.745 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.815 -21.060 -0.642 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.468 -19.153 0.755 1.00 0.00 C ATOM 388 CZ PHE A 25 8.965 -20.232 0.062 1.00 0.00 C ATOM 0 H PHE A 25 13.150 -19.752 2.559 1.00 0.00 H new ATOM 0 HA PHE A 25 13.819 -21.521 0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.411 -18.489 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.565 -19.417 -0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.828 -21.452 -1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.211 -18.044 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.419 -21.909 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.800 -18.509 1.308 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.903 -20.430 0.070 1.00 0.00 H new ATOM 398 N GLY A 26 16.074 -19.782 1.836 1.00 0.00 N ATOM 399 CA GLY A 26 17.497 -19.437 1.888 1.00 0.00 C ATOM 400 C GLY A 26 17.882 -18.414 0.822 1.00 0.00 C ATOM 401 O GLY A 26 18.876 -18.584 0.111 1.00 0.00 O ATOM 0 H GLY A 26 15.568 -19.593 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.737 -19.039 2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.093 -20.340 1.755 1.00 0.00 H new ATOM 405 N ALA A 27 17.049 -17.368 0.715 1.00 0.00 N ATOM 406 CA ALA A 27 17.171 -16.323 -0.305 1.00 0.00 C ATOM 407 C ALA A 27 18.403 -15.456 -0.061 1.00 0.00 C ATOM 408 O ALA A 27 18.718 -15.129 1.094 1.00 0.00 O ATOM 409 CB ALA A 27 15.906 -15.447 -0.333 1.00 0.00 C ATOM 0 H ALA A 27 16.260 -17.225 1.346 1.00 0.00 H new ATOM 0 HA ALA A 27 17.284 -16.813 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.014 -14.676 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.039 -16.067 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.767 -14.977 0.641 1.00 0.00 H new ATOM 415 N SER A 28 19.096 -15.086 -1.153 1.00 0.00 N ATOM 416 CA SER A 28 20.277 -14.218 -1.085 1.00 0.00 C ATOM 417 C SER A 28 19.883 -12.857 -0.486 1.00 0.00 C ATOM 418 O SER A 28 18.895 -12.260 -0.914 1.00 0.00 O ATOM 419 CB SER A 28 20.898 -14.034 -2.490 1.00 0.00 C ATOM 420 OG SER A 28 22.110 -13.290 -2.430 1.00 0.00 O ATOM 0 H SER A 28 18.853 -15.380 -2.099 1.00 0.00 H new ATOM 0 HA SER A 28 21.025 -14.685 -0.444 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.091 -15.010 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 28 20.187 -13.523 -3.139 1.00 0.00 H new ATOM 0 HG SER A 28 22.756 -13.762 -1.863 1.00 0.00 H new ATOM 426 N GLU A 29 20.655 -12.381 0.506 1.00 0.00 N ATOM 427 CA GLU A 29 20.384 -11.096 1.176 1.00 0.00 C ATOM 428 C GLU A 29 20.763 -9.927 0.252 1.00 0.00 C ATOM 429 O GLU A 29 20.310 -8.804 0.461 1.00 0.00 O ATOM 430 CB GLU A 29 21.087 -10.999 2.548 1.00 0.00 C ATOM 431 CG GLU A 29 20.537 -11.992 3.589 1.00 0.00 C ATOM 432 CD GLU A 29 20.995 -11.677 5.022 1.00 0.00 C ATOM 433 OE1 GLU A 29 20.312 -10.882 5.707 1.00 0.00 O ATOM 434 OE2 GLU A 29 22.030 -12.215 5.470 1.00 0.00 O ATOM 0 H GLU A 29 21.476 -12.869 0.863 1.00 0.00 H new ATOM 0 HA GLU A 29 19.314 -11.037 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 29 22.154 -11.178 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.979 -9.985 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.448 -11.983 3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 29 20.856 -13.000 3.325 1.00 0.00 H new ATOM 441 N GLN A 30 21.629 -10.212 -0.747 1.00 0.00 N ATOM 442 CA GLN A 30 21.871 -9.317 -1.903 1.00 0.00 C ATOM 443 C GLN A 30 20.543 -9.016 -2.629 1.00 0.00 C ATOM 444 O GLN A 30 20.219 -7.856 -2.922 1.00 0.00 O ATOM 445 CB GLN A 30 22.845 -9.986 -2.911 1.00 0.00 C ATOM 446 CG GLN A 30 24.197 -10.429 -2.324 1.00 0.00 C ATOM 447 CD GLN A 30 25.084 -11.105 -3.368 1.00 0.00 C ATOM 448 OE1 GLN A 30 25.882 -10.451 -4.036 1.00 0.00 O ATOM 449 NE2 GLN A 30 24.931 -12.409 -3.538 1.00 0.00 N ATOM 0 H GLN A 30 22.180 -11.070 -0.775 1.00 0.00 H new ATOM 0 HA GLN A 30 22.308 -8.391 -1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.352 -10.857 -3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.033 -9.288 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.716 -9.562 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.024 -11.117 -1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 30 24.260 -12.922 -2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 30 25.484 -12.900 -4.240 1.00 0.00 H new ATOM 458 N ALA A 31 19.788 -10.098 -2.887 1.00 0.00 N ATOM 459 CA ALA A 31 18.495 -10.038 -3.578 1.00 0.00 C ATOM 460 C ALA A 31 17.449 -9.363 -2.683 1.00 0.00 C ATOM 461 O ALA A 31 16.833 -8.402 -3.094 1.00 0.00 O ATOM 462 CB ALA A 31 18.047 -11.448 -3.981 1.00 0.00 C ATOM 0 H ALA A 31 20.062 -11.043 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 31 18.602 -9.442 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.086 -11.392 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.788 -11.889 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.947 -12.067 -3.089 1.00 0.00 H new ATOM 468 N ILE A 32 17.251 -9.919 -1.476 1.00 0.00 N ATOM 469 CA ILE A 32 16.458 -9.304 -0.370 1.00 0.00 C ATOM 470 C ILE A 32 16.754 -7.797 -0.121 1.00 0.00 C ATOM 471 O ILE A 32 15.848 -7.068 0.285 1.00 0.00 O ATOM 472 CB ILE A 32 16.693 -10.125 0.962 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.192 -11.590 0.789 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.049 -9.478 2.216 1.00 0.00 C ATOM 475 CD1 ILE A 32 16.504 -12.520 1.938 1.00 0.00 C ATOM 0 H ILE A 32 17.641 -10.827 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 32 15.415 -9.349 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 32 17.769 -10.120 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.112 -11.572 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.632 -12.002 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.252 -10.097 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.470 -8.484 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.972 -9.397 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.113 -13.513 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 32 17.584 -12.577 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 32 16.041 -12.141 2.849 1.00 0.00 H new ATOM 487 N ALA A 33 17.985 -7.336 -0.400 1.00 0.00 N ATOM 488 CA ALA A 33 18.350 -5.914 -0.217 1.00 0.00 C ATOM 489 C ALA A 33 17.753 -5.086 -1.374 1.00 0.00 C ATOM 490 O ALA A 33 17.061 -4.092 -1.155 1.00 0.00 O ATOM 491 CB ALA A 33 19.877 -5.746 -0.136 1.00 0.00 C ATOM 0 H ALA A 33 18.743 -7.921 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 33 17.938 -5.552 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.120 -4.692 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.262 -6.318 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.332 -6.109 -1.057 1.00 0.00 H new ATOM 497 N ASP A 34 18.033 -5.551 -2.601 1.00 0.00 N ATOM 498 CA ASP A 34 17.455 -5.016 -3.854 1.00 0.00 C ATOM 499 C ASP A 34 15.908 -5.066 -3.847 1.00 0.00 C ATOM 500 O ASP A 34 15.240 -4.156 -4.349 1.00 0.00 O ATOM 501 CB ASP A 34 18.010 -5.828 -5.055 1.00 0.00 C ATOM 502 CG ASP A 34 17.653 -5.216 -6.419 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.293 -4.220 -6.822 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.723 -5.716 -7.092 1.00 0.00 O ATOM 0 H ASP A 34 18.679 -6.324 -2.759 1.00 0.00 H new ATOM 0 HA ASP A 34 17.742 -3.968 -3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.094 -5.897 -4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.621 -6.845 -5.008 1.00 0.00 H new ATOM 509 N ALA A 35 15.366 -6.124 -3.227 1.00 0.00 N ATOM 510 CA ALA A 35 13.924 -6.408 -3.186 1.00 0.00 C ATOM 511 C ALA A 35 13.245 -5.538 -2.135 1.00 0.00 C ATOM 512 O ALA A 35 12.117 -5.094 -2.326 1.00 0.00 O ATOM 513 CB ALA A 35 13.681 -7.896 -2.886 1.00 0.00 C ATOM 0 H ALA A 35 15.926 -6.818 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 35 13.495 -6.176 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.609 -8.091 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.141 -8.504 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.121 -8.149 -1.921 1.00 0.00 H new ATOM 519 N ARG A 36 13.946 -5.327 -1.004 1.00 0.00 N ATOM 520 CA ARG A 36 13.495 -4.418 0.067 1.00 0.00 C ATOM 521 C ARG A 36 13.409 -3.003 -0.493 1.00 0.00 C ATOM 522 O ARG A 36 12.389 -2.340 -0.363 1.00 0.00 O ATOM 523 CB ARG A 36 14.470 -4.439 1.269 1.00 0.00 C ATOM 524 CG ARG A 36 14.018 -3.607 2.490 1.00 0.00 C ATOM 525 CD ARG A 36 15.120 -3.521 3.560 1.00 0.00 C ATOM 526 NE ARG A 36 15.660 -4.851 3.907 1.00 0.00 N ATOM 527 CZ ARG A 36 16.927 -5.119 4.284 1.00 0.00 C ATOM 528 NH1 ARG A 36 17.828 -4.151 4.418 1.00 0.00 N ATOM 529 NH2 ARG A 36 17.285 -6.366 4.520 1.00 0.00 N ATOM 0 H ARG A 36 14.838 -5.781 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 36 12.518 -4.750 0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.612 -5.473 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.441 -4.071 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.747 -2.602 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.124 -4.054 2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.928 -2.885 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.719 -3.048 4.456 1.00 0.00 H new ATOM 0 HE ARG A 36 15.015 -5.640 3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.567 -3.182 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.781 -4.377 4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.606 -7.120 4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.241 -6.577 4.805 1.00 0.00 H new ATOM 543 N LYS A 37 14.520 -2.581 -1.125 1.00 0.00 N ATOM 544 CA LYS A 37 14.638 -1.302 -1.845 1.00 0.00 C ATOM 545 C LYS A 37 13.481 -1.089 -2.828 1.00 0.00 C ATOM 546 O LYS A 37 12.907 -0.013 -2.856 1.00 0.00 O ATOM 547 CB LYS A 37 15.977 -1.253 -2.628 1.00 0.00 C ATOM 548 CG LYS A 37 16.208 0.028 -3.475 1.00 0.00 C ATOM 549 CD LYS A 37 17.420 -0.094 -4.415 1.00 0.00 C ATOM 550 CE LYS A 37 17.238 -1.212 -5.454 1.00 0.00 C ATOM 551 NZ LYS A 37 18.416 -1.348 -6.345 1.00 0.00 N ATOM 0 H LYS A 37 15.378 -3.132 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 37 14.606 -0.508 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.798 -1.351 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.023 -2.118 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.315 0.235 -4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.354 0.878 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.577 0.855 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.316 -0.290 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.062 -2.157 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.352 -1.006 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.526 -2.343 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.279 -0.762 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.270 -1.034 -5.841 1.00 0.00 H new ATOM 565 N ALA A 38 13.117 -2.141 -3.589 1.00 0.00 N ATOM 566 CA ALA A 38 12.173 -2.029 -4.716 1.00 0.00 C ATOM 567 C ALA A 38 10.709 -2.047 -4.213 1.00 0.00 C ATOM 568 O ALA A 38 9.854 -1.324 -4.742 1.00 0.00 O ATOM 569 CB ALA A 38 12.410 -3.164 -5.733 1.00 0.00 C ATOM 0 H ALA A 38 13.468 -3.087 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 38 12.349 -1.075 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.705 -3.066 -6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.428 -3.102 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.265 -4.127 -5.244 1.00 0.00 H new ATOM 575 N THR A 39 10.443 -2.881 -3.178 1.00 0.00 N ATOM 576 CA THR A 39 9.107 -3.005 -2.549 1.00 0.00 C ATOM 577 C THR A 39 8.775 -1.707 -1.800 1.00 0.00 C ATOM 578 O THR A 39 7.685 -1.163 -1.960 1.00 0.00 O ATOM 579 CB THR A 39 9.022 -4.217 -1.557 1.00 0.00 C ATOM 580 OG1 THR A 39 9.398 -5.424 -2.233 1.00 0.00 O ATOM 581 CG2 THR A 39 7.609 -4.396 -0.969 1.00 0.00 C ATOM 0 H THR A 39 11.148 -3.486 -2.757 1.00 0.00 H new ATOM 0 HA THR A 39 8.385 -3.184 -3.345 1.00 0.00 H new ATOM 0 HB THR A 39 9.706 -4.006 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.355 -5.397 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.603 -5.248 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.324 -3.495 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.898 -4.572 -1.777 1.00 0.00 H new ATOM 589 N ILE A 40 9.754 -1.217 -1.009 1.00 0.00 N ATOM 590 CA ILE A 40 9.645 0.064 -0.277 1.00 0.00 C ATOM 591 C ILE A 40 9.491 1.226 -1.266 1.00 0.00 C ATOM 592 O ILE A 40 8.591 2.034 -1.098 1.00 0.00 O ATOM 593 CB ILE A 40 10.870 0.294 0.704 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.779 -0.682 1.920 1.00 0.00 C ATOM 595 CG2 ILE A 40 10.995 1.766 1.190 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.543 -0.497 2.793 1.00 0.00 C ATOM 0 H ILE A 40 10.641 -1.698 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 40 8.752 0.020 0.347 1.00 0.00 H new ATOM 0 HB ILE A 40 11.774 0.081 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.795 -1.707 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.667 -0.554 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.852 1.857 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.133 2.422 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.088 2.052 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.565 -1.217 3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.533 0.514 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.647 -0.656 2.193 1.00 0.00 H new ATOM 608 N LEU A 41 10.327 1.240 -2.325 1.00 0.00 N ATOM 609 CA LEU A 41 10.257 2.247 -3.425 1.00 0.00 C ATOM 610 C LEU A 41 8.842 2.325 -4.019 1.00 0.00 C ATOM 611 O LEU A 41 8.342 3.420 -4.313 1.00 0.00 O ATOM 612 CB LEU A 41 11.336 1.922 -4.522 1.00 0.00 C ATOM 613 CG LEU A 41 11.115 2.455 -5.999 1.00 0.00 C ATOM 614 CD1 LEU A 41 12.443 2.896 -6.652 1.00 0.00 C ATOM 615 CD2 LEU A 41 10.422 1.377 -6.886 1.00 0.00 C ATOM 0 H LEU A 41 11.073 0.556 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 41 10.480 3.231 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.291 2.313 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.435 0.838 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 41 10.464 3.326 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.250 3.255 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.890 3.696 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.128 2.049 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.283 1.769 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.046 0.484 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.452 1.123 -6.458 1.00 0.00 H new ATOM 627 N GLN A 42 8.177 1.159 -4.119 1.00 0.00 N ATOM 628 CA GLN A 42 6.820 1.043 -4.663 1.00 0.00 C ATOM 629 C GLN A 42 5.811 1.565 -3.619 1.00 0.00 C ATOM 630 O GLN A 42 4.879 2.298 -3.954 1.00 0.00 O ATOM 631 CB GLN A 42 6.541 -0.448 -4.994 1.00 0.00 C ATOM 632 CG GLN A 42 5.122 -0.758 -5.510 1.00 0.00 C ATOM 633 CD GLN A 42 4.812 -2.254 -5.555 1.00 0.00 C ATOM 634 OE1 GLN A 42 5.042 -2.919 -6.559 1.00 0.00 O ATOM 635 NE2 GLN A 42 4.301 -2.794 -4.456 1.00 0.00 N ATOM 0 H GLN A 42 8.573 0.267 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 42 6.720 1.635 -5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.261 -0.777 -5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.720 -1.041 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.393 -0.261 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.006 -0.339 -6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.122 -2.212 -3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.087 -3.791 -4.429 1.00 0.00 H new ATOM 644 N THR A 43 6.074 1.208 -2.338 1.00 0.00 N ATOM 645 CA THR A 43 5.222 1.537 -1.181 1.00 0.00 C ATOM 646 C THR A 43 5.180 3.060 -0.934 1.00 0.00 C ATOM 647 O THR A 43 4.150 3.581 -0.537 1.00 0.00 O ATOM 648 CB THR A 43 5.732 0.787 0.107 1.00 0.00 C ATOM 649 OG1 THR A 43 5.771 -0.624 -0.143 1.00 0.00 O ATOM 650 CG2 THR A 43 4.858 1.038 1.348 1.00 0.00 C ATOM 0 H THR A 43 6.903 0.672 -2.081 1.00 0.00 H new ATOM 0 HA THR A 43 4.208 1.204 -1.404 1.00 0.00 H new ATOM 0 HB THR A 43 6.725 1.183 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.580 -0.844 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.267 0.491 2.198 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.845 2.104 1.574 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.842 0.697 1.152 1.00 0.00 H new ATOM 658 N LEU A 44 6.303 3.768 -1.224 1.00 0.00 N ATOM 659 CA LEU A 44 6.397 5.242 -1.048 1.00 0.00 C ATOM 660 C LEU A 44 5.346 5.950 -1.933 1.00 0.00 C ATOM 661 O LEU A 44 4.772 6.979 -1.556 1.00 0.00 O ATOM 662 CB LEU A 44 7.827 5.781 -1.391 1.00 0.00 C ATOM 663 CG LEU A 44 9.046 5.045 -0.742 1.00 0.00 C ATOM 664 CD1 LEU A 44 10.367 5.777 -1.024 1.00 0.00 C ATOM 665 CD2 LEU A 44 8.846 4.774 0.766 1.00 0.00 C ATOM 0 H LEU A 44 7.157 3.341 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 44 6.201 5.460 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.950 5.747 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.871 6.830 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 44 9.108 4.068 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.190 5.236 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.531 5.829 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.318 6.786 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.722 4.262 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.710 5.720 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.964 4.149 0.910 1.00 0.00 H new ATOM 677 N ARG A 45 5.095 5.351 -3.112 1.00 0.00 N ATOM 678 CA ARG A 45 4.112 5.844 -4.078 1.00 0.00 C ATOM 679 C ARG A 45 2.700 5.321 -3.740 1.00 0.00 C ATOM 680 O ARG A 45 1.718 6.032 -3.920 1.00 0.00 O ATOM 681 CB ARG A 45 4.508 5.404 -5.506 1.00 0.00 C ATOM 682 CG ARG A 45 3.659 6.038 -6.629 1.00 0.00 C ATOM 683 CD ARG A 45 3.992 5.463 -8.010 1.00 0.00 C ATOM 684 NE ARG A 45 3.259 6.147 -9.083 1.00 0.00 N ATOM 685 CZ ARG A 45 3.738 6.383 -10.309 1.00 0.00 C ATOM 686 NH1 ARG A 45 4.964 5.990 -10.656 1.00 0.00 N ATOM 687 NH2 ARG A 45 2.986 7.014 -11.187 1.00 0.00 N ATOM 0 H ARG A 45 5.576 4.505 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 45 4.098 6.933 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.555 5.656 -5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.426 4.319 -5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.602 5.877 -6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.821 7.116 -6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.063 5.551 -8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.752 4.400 -8.027 1.00 0.00 H new ATOM 0 HE ARG A 45 2.312 6.466 -8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.553 5.501 -9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.313 6.178 -11.596 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.047 7.318 -10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.343 7.199 -12.125 1.00 0.00 H new ATOM 701 N ILE A 46 2.605 4.067 -3.262 1.00 0.00 N ATOM 702 CA ILE A 46 1.303 3.440 -2.960 1.00 0.00 C ATOM 703 C ILE A 46 0.604 4.166 -1.796 1.00 0.00 C ATOM 704 O ILE A 46 -0.511 4.634 -1.973 1.00 0.00 O ATOM 705 CB ILE A 46 1.442 1.892 -2.674 1.00 0.00 C ATOM 706 CG1 ILE A 46 1.796 1.131 -3.998 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.167 1.303 -2.013 1.00 0.00 C ATOM 708 CD1 ILE A 46 1.843 -0.388 -3.885 1.00 0.00 C ATOM 0 H ILE A 46 3.410 3.469 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 46 0.678 3.541 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 46 2.255 1.756 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.063 1.399 -4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.765 1.482 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.309 0.237 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.017 1.808 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.687 1.450 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.096 -0.817 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.598 -0.675 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.869 -0.759 -3.567 1.00 0.00 H new ATOM 720 N GLU A 47 1.311 4.302 -0.653 1.00 0.00 N ATOM 721 CA GLU A 47 0.760 4.888 0.600 1.00 0.00 C ATOM 722 C GLU A 47 0.071 6.238 0.358 1.00 0.00 C ATOM 723 O GLU A 47 -1.063 6.447 0.803 1.00 0.00 O ATOM 724 CB GLU A 47 1.872 5.069 1.665 1.00 0.00 C ATOM 725 CG GLU A 47 2.519 3.768 2.162 1.00 0.00 C ATOM 726 CD GLU A 47 1.510 2.751 2.721 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.892 3.027 3.773 1.00 0.00 O ATOM 728 OE2 GLU A 47 1.343 1.664 2.124 1.00 0.00 O ATOM 0 H GLU A 47 2.284 4.009 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 47 0.013 4.183 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.651 5.708 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.451 5.597 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.068 3.308 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.247 4.008 2.937 1.00 0.00 H new ATOM 735 N ARG A 48 0.770 7.134 -0.377 1.00 0.00 N ATOM 736 CA ARG A 48 0.254 8.475 -0.701 1.00 0.00 C ATOM 737 C ARG A 48 -1.027 8.372 -1.565 1.00 0.00 C ATOM 738 O ARG A 48 -2.052 8.940 -1.206 1.00 0.00 O ATOM 739 CB ARG A 48 1.336 9.358 -1.399 1.00 0.00 C ATOM 740 CG ARG A 48 1.763 8.899 -2.807 1.00 0.00 C ATOM 741 CD ARG A 48 2.675 9.885 -3.553 1.00 0.00 C ATOM 742 NE ARG A 48 2.784 9.517 -4.979 1.00 0.00 N ATOM 743 CZ ARG A 48 3.494 10.177 -5.897 1.00 0.00 C ATOM 744 NH1 ARG A 48 4.258 11.213 -5.555 1.00 0.00 N ATOM 745 NH2 ARG A 48 3.433 9.796 -7.162 1.00 0.00 N ATOM 0 H ARG A 48 1.698 6.946 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.004 8.967 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.958 10.378 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.220 9.388 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.278 7.942 -2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.868 8.728 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.278 10.896 -3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.665 9.890 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 48 2.274 8.689 -5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.306 11.512 -4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.795 11.708 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.847 9.005 -7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.972 10.294 -7.871 1.00 0.00 H new ATOM 759 N ASP A 49 -0.973 7.565 -2.649 1.00 0.00 N ATOM 760 CA ASP A 49 -2.067 7.445 -3.636 1.00 0.00 C ATOM 761 C ASP A 49 -3.322 6.825 -2.992 1.00 0.00 C ATOM 762 O ASP A 49 -4.437 7.230 -3.316 1.00 0.00 O ATOM 763 CB ASP A 49 -1.598 6.615 -4.869 1.00 0.00 C ATOM 764 CG ASP A 49 -0.838 7.456 -5.922 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.500 8.040 -6.810 1.00 0.00 O ATOM 766 OD2 ASP A 49 0.412 7.548 -5.872 1.00 0.00 O ATOM 0 H ASP A 49 -0.167 6.978 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.332 8.444 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.954 5.804 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.467 6.155 -5.340 1.00 0.00 H new ATOM 771 N GLU A 50 -3.105 5.883 -2.044 1.00 0.00 N ATOM 772 CA GLU A 50 -4.182 5.200 -1.291 1.00 0.00 C ATOM 773 C GLU A 50 -5.005 6.200 -0.484 1.00 0.00 C ATOM 774 O GLU A 50 -6.210 6.279 -0.648 1.00 0.00 O ATOM 775 CB GLU A 50 -3.598 4.129 -0.327 1.00 0.00 C ATOM 776 CG GLU A 50 -2.956 2.918 -1.014 1.00 0.00 C ATOM 777 CD GLU A 50 -3.923 2.103 -1.881 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.775 1.383 -1.319 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.829 2.164 -3.123 1.00 0.00 O ATOM 0 H GLU A 50 -2.170 5.574 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.826 4.711 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.852 4.604 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.396 3.776 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.130 3.263 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.530 2.265 -0.252 1.00 0.00 H new ATOM 786 N ARG A 51 -4.322 6.969 0.370 1.00 0.00 N ATOM 787 CA ARG A 51 -4.976 7.897 1.313 1.00 0.00 C ATOM 788 C ARG A 51 -5.574 9.138 0.600 1.00 0.00 C ATOM 789 O ARG A 51 -6.497 9.756 1.131 1.00 0.00 O ATOM 790 CB ARG A 51 -3.991 8.284 2.443 1.00 0.00 C ATOM 791 CG ARG A 51 -2.675 8.928 1.957 1.00 0.00 C ATOM 792 CD ARG A 51 -1.592 8.957 3.042 1.00 0.00 C ATOM 793 NE ARG A 51 -1.997 9.764 4.208 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.701 9.479 5.479 1.00 0.00 C ATOM 795 NH1 ARG A 51 -1.118 8.330 5.804 1.00 0.00 N ATOM 796 NH2 ARG A 51 -2.023 10.333 6.427 1.00 0.00 N ATOM 0 H ARG A 51 -3.304 6.970 0.431 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.824 7.382 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.490 8.977 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.751 7.391 3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.303 8.377 1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.876 9.946 1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.375 7.939 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.671 9.362 2.623 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.546 10.605 4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.890 7.651 5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.898 8.127 6.779 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.495 11.205 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.800 10.123 7.400 1.00 0.00 H new ATOM 810 N LEU A 52 -5.032 9.499 -0.592 1.00 0.00 N ATOM 811 CA LEU A 52 -5.594 10.581 -1.436 1.00 0.00 C ATOM 812 C LEU A 52 -6.950 10.140 -2.037 1.00 0.00 C ATOM 813 O LEU A 52 -7.931 10.891 -1.979 1.00 0.00 O ATOM 814 CB LEU A 52 -4.596 10.992 -2.563 1.00 0.00 C ATOM 815 CG LEU A 52 -3.239 11.615 -2.092 1.00 0.00 C ATOM 816 CD1 LEU A 52 -2.289 11.876 -3.280 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.457 12.885 -1.251 1.00 0.00 C ATOM 0 H LEU A 52 -4.205 9.054 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.759 11.455 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.377 10.110 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.093 11.709 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.756 10.881 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.358 12.308 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.077 10.936 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.760 12.568 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.492 13.288 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.987 13.629 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.046 12.640 -0.367 1.00 0.00 H new ATOM 829 N ARG A 53 -6.996 8.899 -2.586 1.00 0.00 N ATOM 830 CA ARG A 53 -8.223 8.344 -3.218 1.00 0.00 C ATOM 831 C ARG A 53 -9.219 7.828 -2.159 1.00 0.00 C ATOM 832 O ARG A 53 -10.415 7.714 -2.436 1.00 0.00 O ATOM 833 CB ARG A 53 -7.874 7.218 -4.240 1.00 0.00 C ATOM 834 CG ARG A 53 -7.310 5.918 -3.627 1.00 0.00 C ATOM 835 CD ARG A 53 -6.901 4.880 -4.682 1.00 0.00 C ATOM 836 NE ARG A 53 -5.936 5.437 -5.651 1.00 0.00 N ATOM 837 CZ ARG A 53 -4.750 4.904 -5.972 1.00 0.00 C ATOM 838 NH1 ARG A 53 -4.266 3.859 -5.316 1.00 0.00 N ATOM 839 NH2 ARG A 53 -4.029 5.461 -6.935 1.00 0.00 N ATOM 0 H ARG A 53 -6.198 8.263 -2.604 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.703 9.158 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.773 6.973 -4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.147 7.609 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.444 6.160 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.059 5.480 -2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.462 4.013 -4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.787 4.530 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.196 6.306 -6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.799 3.446 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.361 3.468 -5.576 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.379 6.286 -7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.124 5.065 -7.189 1.00 0.00 H new ATOM 853 N ALA A 54 -8.708 7.522 -0.949 1.00 0.00 N ATOM 854 CA ALA A 54 -9.534 7.071 0.194 1.00 0.00 C ATOM 855 C ALA A 54 -10.339 8.239 0.776 1.00 0.00 C ATOM 856 O ALA A 54 -11.375 8.032 1.409 1.00 0.00 O ATOM 857 CB ALA A 54 -8.655 6.431 1.286 1.00 0.00 C ATOM 0 H ALA A 54 -7.712 7.580 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.232 6.318 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.283 6.107 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.129 5.571 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.930 7.162 1.644 1.00 0.00 H new ATOM 863 N CYS A 55 -9.835 9.457 0.542 1.00 0.00 N ATOM 864 CA CYS A 55 -10.440 10.706 1.017 1.00 0.00 C ATOM 865 C CYS A 55 -11.063 11.506 -0.144 1.00 0.00 C ATOM 866 O CYS A 55 -11.412 12.681 0.017 1.00 0.00 O ATOM 867 CB CYS A 55 -9.346 11.504 1.736 1.00 0.00 C ATOM 868 SG CYS A 55 -8.609 10.595 3.121 1.00 0.00 S ATOM 0 H CYS A 55 -8.979 9.604 0.007 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.258 10.493 1.706 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.565 11.766 1.022 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.767 12.439 2.104 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.681 11.320 3.671 1.00 0.00 H new ATOM 874 N ASP A 56 -11.217 10.845 -1.309 1.00 0.00 N ATOM 875 CA ASP A 56 -11.827 11.444 -2.520 1.00 0.00 C ATOM 876 C ASP A 56 -13.368 11.550 -2.375 1.00 0.00 C ATOM 877 O ASP A 56 -14.016 12.365 -3.054 1.00 0.00 O ATOM 878 CB ASP A 56 -11.444 10.599 -3.770 1.00 0.00 C ATOM 879 CG ASP A 56 -12.037 11.124 -5.091 1.00 0.00 C ATOM 880 OD1 ASP A 56 -11.604 12.198 -5.560 1.00 0.00 O ATOM 881 OD2 ASP A 56 -12.959 10.483 -5.640 1.00 0.00 O ATOM 0 H ASP A 56 -10.922 9.877 -1.440 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.440 12.456 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.358 10.572 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.778 9.573 -3.617 1.00 0.00 H new ATOM 886 N TRP A 57 -13.932 10.740 -1.452 1.00 0.00 N ATOM 887 CA TRP A 57 -15.384 10.693 -1.175 1.00 0.00 C ATOM 888 C TRP A 57 -15.923 12.055 -0.694 1.00 0.00 C ATOM 889 O TRP A 57 -17.104 12.315 -0.827 1.00 0.00 O ATOM 890 CB TRP A 57 -15.713 9.588 -0.123 1.00 0.00 C ATOM 891 CG TRP A 57 -15.238 9.878 1.293 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.963 9.787 1.773 1.00 0.00 C ATOM 893 CD2 TRP A 57 -16.040 10.317 2.407 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.924 10.125 3.099 1.00 0.00 N ATOM 895 CE2 TRP A 57 -15.182 10.456 3.513 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.397 10.611 2.571 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.635 10.865 4.770 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.847 11.017 3.812 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.968 11.149 4.896 1.00 0.00 C ATOM 0 H TRP A 57 -13.389 10.097 -0.875 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.880 10.449 -2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.792 9.438 -0.103 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.267 8.650 -0.454 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.105 9.490 1.188 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.089 10.129 3.684 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.082 10.522 1.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.960 10.953 5.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.895 11.237 3.950 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -17.350 11.481 5.850 1.00 0.00 H new ATOM 910 N THR A 58 -15.039 12.899 -0.133 1.00 0.00 N ATOM 911 CA THR A 58 -15.396 14.241 0.365 1.00 0.00 C ATOM 912 C THR A 58 -15.394 15.278 -0.768 1.00 0.00 C ATOM 913 O THR A 58 -16.127 16.271 -0.727 1.00 0.00 O ATOM 914 CB THR A 58 -14.396 14.680 1.471 1.00 0.00 C ATOM 915 OG1 THR A 58 -13.059 14.734 0.942 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.437 13.711 2.653 1.00 0.00 C ATOM 0 H THR A 58 -14.053 12.669 -0.011 1.00 0.00 H new ATOM 0 HA THR A 58 -16.403 14.187 0.778 1.00 0.00 H new ATOM 0 HB THR A 58 -14.688 15.672 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.721 13.823 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.730 14.037 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.442 13.693 3.074 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.169 12.711 2.313 1.00 0.00 H new ATOM 924 N GLN A 59 -14.566 15.005 -1.779 1.00 0.00 N ATOM 925 CA GLN A 59 -14.265 15.932 -2.880 1.00 0.00 C ATOM 926 C GLN A 59 -15.317 15.841 -3.994 1.00 0.00 C ATOM 927 O GLN A 59 -15.530 16.819 -4.721 1.00 0.00 O ATOM 928 CB GLN A 59 -12.836 15.630 -3.406 1.00 0.00 C ATOM 929 CG GLN A 59 -11.760 15.661 -2.292 1.00 0.00 C ATOM 930 CD GLN A 59 -11.636 17.029 -1.596 1.00 0.00 C ATOM 931 OE1 GLN A 59 -11.785 18.077 -2.226 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.395 17.025 -0.293 1.00 0.00 N ATOM 0 H GLN A 59 -14.074 14.115 -1.860 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.300 16.958 -2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.830 14.649 -3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.576 16.358 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.999 14.903 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.795 15.392 -2.722 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.276 16.141 0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.328 17.906 0.216 1.00 0.00 H new ATOM 941 N VAL A 60 -15.982 14.672 -4.110 1.00 0.00 N ATOM 942 CA VAL A 60 -17.093 14.472 -5.063 1.00 0.00 C ATOM 943 C VAL A 60 -18.321 15.324 -4.632 1.00 0.00 C ATOM 944 O VAL A 60 -18.541 15.555 -3.431 1.00 0.00 O ATOM 945 CB VAL A 60 -17.473 12.939 -5.194 1.00 0.00 C ATOM 946 CG1 VAL A 60 -18.109 12.373 -3.894 1.00 0.00 C ATOM 947 CG2 VAL A 60 -18.381 12.684 -6.423 1.00 0.00 C ATOM 0 H VAL A 60 -15.766 13.847 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.768 14.806 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 60 -16.540 12.398 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -18.351 11.320 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -17.404 12.475 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -19.019 12.926 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.623 11.623 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -19.301 13.260 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -17.860 12.989 -7.330 1.00 0.00 H new ATOM 957 N GLN A 61 -19.103 15.803 -5.619 1.00 0.00 N ATOM 958 CA GLN A 61 -20.272 16.688 -5.382 1.00 0.00 C ATOM 959 C GLN A 61 -21.481 15.934 -4.793 1.00 0.00 C ATOM 960 O GLN A 61 -22.459 16.566 -4.381 1.00 0.00 O ATOM 961 CB GLN A 61 -20.669 17.416 -6.694 1.00 0.00 C ATOM 962 CG GLN A 61 -21.040 16.485 -7.869 1.00 0.00 C ATOM 963 CD GLN A 61 -21.309 17.238 -9.177 1.00 0.00 C ATOM 964 OE1 GLN A 61 -20.394 17.474 -9.970 1.00 0.00 O ATOM 965 NE2 GLN A 61 -22.556 17.618 -9.416 1.00 0.00 N ATOM 0 H GLN A 61 -18.946 15.590 -6.604 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.970 17.424 -4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.516 18.070 -6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.841 18.054 -7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.231 15.772 -8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.925 15.908 -7.601 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -23.291 17.408 -8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.780 18.120 -10.275 1.00 0.00 H new ATOM 974 N ASP A 62 -21.413 14.588 -4.772 1.00 0.00 N ATOM 975 CA ASP A 62 -22.475 13.735 -4.206 1.00 0.00 C ATOM 976 C ASP A 62 -22.621 13.946 -2.685 1.00 0.00 C ATOM 977 O ASP A 62 -23.727 14.205 -2.194 1.00 0.00 O ATOM 978 CB ASP A 62 -22.195 12.237 -4.511 1.00 0.00 C ATOM 979 CG ASP A 62 -23.224 11.282 -3.864 1.00 0.00 C ATOM 980 OD1 ASP A 62 -24.324 11.103 -4.432 1.00 0.00 O ATOM 981 OD2 ASP A 62 -22.949 10.735 -2.774 1.00 0.00 O ATOM 0 H ASP A 62 -20.622 14.064 -5.146 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.413 14.025 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -22.197 12.086 -5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.197 11.981 -4.155 1.00 0.00 H new ATOM 986 N VAL A 63 -21.485 13.837 -1.966 1.00 0.00 N ATOM 987 CA VAL A 63 -21.454 13.872 -0.489 1.00 0.00 C ATOM 988 C VAL A 63 -21.960 15.225 0.049 1.00 0.00 C ATOM 989 O VAL A 63 -21.661 16.283 -0.525 1.00 0.00 O ATOM 990 CB VAL A 63 -20.007 13.566 0.053 1.00 0.00 C ATOM 991 CG1 VAL A 63 -19.016 14.687 -0.319 1.00 0.00 C ATOM 992 CG2 VAL A 63 -20.015 13.305 1.575 1.00 0.00 C ATOM 0 H VAL A 63 -20.565 13.722 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.126 13.094 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.666 12.652 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -18.028 14.443 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.965 14.782 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.354 15.629 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.000 13.097 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.398 14.184 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.653 12.449 1.794 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.736 15.166 1.137 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.345 16.344 1.761 1.00 0.00 C ATOM 1004 C VAL A 64 -22.462 16.798 2.934 1.00 0.00 C ATOM 1005 O VAL A 64 -22.608 16.315 4.064 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.820 16.052 2.232 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.508 17.333 2.786 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.648 15.410 1.082 1.00 0.00 C ATOM 0 H VAL A 64 -22.960 14.292 1.612 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.407 17.146 1.025 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.774 15.336 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.524 17.093 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.943 17.710 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.540 18.095 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.663 15.217 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.679 16.091 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -25.183 14.472 0.779 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.485 17.665 2.618 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.601 18.310 3.600 1.00 0.00 C ATOM 1020 C LEU A 65 -20.641 19.819 3.340 1.00 0.00 C ATOM 1021 O LEU A 65 -20.940 20.245 2.217 1.00 0.00 O ATOM 1022 CB LEU A 65 -19.141 17.793 3.453 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.914 16.260 3.635 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.478 15.856 3.244 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.250 15.806 5.069 1.00 0.00 C ATOM 0 H LEU A 65 -21.285 17.941 1.657 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.938 18.078 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.779 18.075 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.521 18.317 4.180 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.598 15.747 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.352 14.782 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.300 16.111 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.766 16.389 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.081 14.733 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.612 16.335 5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.295 16.028 5.285 1.00 0.00 H new ATOM 1037 N THR A 66 -20.335 20.631 4.359 1.00 0.00 N ATOM 1038 CA THR A 66 -20.275 22.090 4.188 1.00 0.00 C ATOM 1039 C THR A 66 -19.004 22.479 3.400 1.00 0.00 C ATOM 1040 O THR A 66 -18.077 21.662 3.251 1.00 0.00 O ATOM 1041 CB THR A 66 -20.309 22.828 5.566 1.00 0.00 C ATOM 1042 OG1 THR A 66 -19.122 22.513 6.312 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.560 22.453 6.401 1.00 0.00 C ATOM 0 H THR A 66 -20.126 20.307 5.304 1.00 0.00 H new ATOM 0 HA THR A 66 -21.154 22.401 3.624 1.00 0.00 H new ATOM 0 HB THR A 66 -20.356 23.898 5.364 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.145 22.978 7.174 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.539 22.990 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.460 22.725 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.562 21.380 6.592 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.984 23.722 2.881 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.816 24.294 2.180 1.00 0.00 C ATOM 1053 C ALA A 67 -16.546 24.160 3.045 1.00 0.00 C ATOM 1054 O ALA A 67 -15.495 23.753 2.557 1.00 0.00 O ATOM 1055 CB ALA A 67 -18.088 25.764 1.853 1.00 0.00 C ATOM 0 H ALA A 67 -19.778 24.360 2.936 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.652 23.745 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.227 26.187 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.968 25.838 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.264 26.316 2.777 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.712 24.491 4.340 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.683 24.320 5.384 1.00 0.00 C ATOM 1063 C ASP A 68 -15.086 22.898 5.385 1.00 0.00 C ATOM 1064 O ASP A 68 -13.882 22.749 5.253 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.294 24.624 6.777 1.00 0.00 C ATOM 1066 CG ASP A 68 -15.341 24.335 7.959 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -14.526 25.209 8.312 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -15.400 23.224 8.534 1.00 0.00 O ATOM 0 H ASP A 68 -17.580 24.892 4.696 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.876 25.019 5.165 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.591 25.672 6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.201 24.032 6.902 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.959 21.875 5.515 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.524 20.461 5.677 1.00 0.00 C ATOM 1075 C GLN A 69 -14.772 19.974 4.431 1.00 0.00 C ATOM 1076 O GLN A 69 -13.666 19.453 4.528 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.717 19.524 5.987 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.488 19.901 7.257 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.521 18.862 7.684 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.327 17.662 7.495 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -19.633 19.311 8.242 1.00 0.00 N ATOM 0 H GLN A 69 -16.972 21.998 5.511 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.846 20.428 6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.404 19.534 5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.348 18.503 6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.778 20.049 8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.991 20.854 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -19.763 20.312 8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.360 18.656 8.529 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.376 20.225 3.267 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.809 19.905 1.935 1.00 0.00 C ATOM 1092 C LYS A 70 -13.475 20.632 1.666 1.00 0.00 C ATOM 1093 O LYS A 70 -12.651 20.132 0.900 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.862 20.228 0.842 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.990 19.169 0.746 1.00 0.00 C ATOM 1096 CD LYS A 70 -18.273 19.673 0.044 1.00 0.00 C ATOM 1097 CE LYS A 70 -19.239 18.531 -0.313 1.00 0.00 C ATOM 1098 NZ LYS A 70 -18.739 17.688 -1.427 1.00 0.00 N ATOM 0 H LYS A 70 -16.294 20.666 3.213 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.575 18.841 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.304 21.202 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.362 20.305 -0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.612 18.300 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.246 18.835 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.782 20.385 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.999 20.209 -0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.399 17.907 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.207 18.951 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.470 16.998 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.515 18.290 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.882 17.184 -1.123 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.274 21.794 2.319 1.00 0.00 N ATOM 1113 CA ALA A 71 -12.074 22.640 2.119 1.00 0.00 C ATOM 1114 C ALA A 71 -10.933 22.129 3.021 1.00 0.00 C ATOM 1115 O ALA A 71 -9.802 21.985 2.583 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.386 24.116 2.412 1.00 0.00 C ATOM 0 H ALA A 71 -13.934 22.174 2.998 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.762 22.574 1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.489 24.715 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.173 24.462 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.718 24.220 3.445 1.00 0.00 H new ATOM 1122 N THR A 72 -11.289 21.903 4.296 1.00 0.00 N ATOM 1123 CA THR A 72 -10.437 21.242 5.315 1.00 0.00 C ATOM 1124 C THR A 72 -9.855 19.906 4.770 1.00 0.00 C ATOM 1125 O THR A 72 -8.654 19.626 4.908 1.00 0.00 O ATOM 1126 CB THR A 72 -11.265 20.979 6.620 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.881 22.202 7.066 1.00 0.00 O ATOM 1128 CG2 THR A 72 -10.401 20.426 7.758 1.00 0.00 C ATOM 0 H THR A 72 -12.200 22.180 4.663 1.00 0.00 H new ATOM 0 HA THR A 72 -9.605 21.906 5.549 1.00 0.00 H new ATOM 0 HB THR A 72 -12.020 20.234 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.699 22.363 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.022 20.261 8.639 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.952 19.482 7.448 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.614 21.141 7.997 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.730 19.136 4.105 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.363 17.883 3.417 1.00 0.00 C ATOM 1138 C TRP A 73 -9.516 18.145 2.157 1.00 0.00 C ATOM 1139 O TRP A 73 -8.620 17.358 1.831 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.637 17.084 3.048 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.177 16.229 4.171 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.255 16.464 4.980 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.656 14.958 4.565 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.436 15.415 5.836 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.467 14.480 5.604 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.582 14.179 4.128 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.235 13.260 6.216 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.357 12.970 4.741 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.183 12.518 5.771 1.00 0.00 C ATOM 0 H TRP A 73 -11.721 19.365 4.027 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.755 17.296 4.105 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.412 17.782 2.733 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.417 16.445 2.193 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.873 17.349 4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.175 15.342 6.535 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.943 14.519 3.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.866 12.909 7.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.526 12.359 4.420 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.984 11.559 6.225 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.831 19.239 1.438 1.00 0.00 N ATOM 1161 CA ALA A 74 -9.106 19.640 0.214 1.00 0.00 C ATOM 1162 C ALA A 74 -7.688 20.129 0.541 1.00 0.00 C ATOM 1163 O ALA A 74 -6.792 20.025 -0.292 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.879 20.725 -0.547 1.00 0.00 C ATOM 0 H ALA A 74 -10.593 19.869 1.687 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.023 18.759 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.326 21.004 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.860 20.343 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.001 21.600 0.091 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.498 20.654 1.765 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.195 21.154 2.238 1.00 0.00 C ATOM 1172 C LYS A 75 -5.360 19.990 2.767 1.00 0.00 C ATOM 1173 O LYS A 75 -4.143 20.049 2.724 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.387 22.233 3.332 1.00 0.00 C ATOM 1175 CG LYS A 75 -7.065 23.514 2.818 1.00 0.00 C ATOM 1176 CD LYS A 75 -7.398 24.513 3.946 1.00 0.00 C ATOM 1177 CE LYS A 75 -8.166 25.740 3.427 1.00 0.00 C ATOM 1178 NZ LYS A 75 -8.585 26.630 4.532 1.00 0.00 N ATOM 0 H LYS A 75 -8.244 20.743 2.454 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.668 21.616 1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.985 21.815 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.415 22.490 3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.412 23.998 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.982 23.248 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.992 24.011 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.475 24.840 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.537 26.295 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.044 25.411 2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.100 27.446 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.205 26.107 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.745 26.963 5.047 1.00 0.00 H new ATOM 1192 N TYR A 76 -6.041 18.946 3.281 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.409 17.659 3.632 1.00 0.00 C ATOM 1194 C TYR A 76 -4.767 17.024 2.375 1.00 0.00 C ATOM 1195 O TYR A 76 -3.560 16.721 2.357 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.472 16.698 4.269 1.00 0.00 C ATOM 1197 CG TYR A 76 -6.103 15.196 4.206 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -5.064 14.679 4.974 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.777 14.312 3.352 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.709 13.347 4.883 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.419 12.982 3.269 1.00 0.00 C ATOM 1202 CZ TYR A 76 -5.388 12.501 4.036 1.00 0.00 C ATOM 1203 OH TYR A 76 -5.030 11.170 3.955 1.00 0.00 O ATOM 0 H TYR A 76 -7.044 18.972 3.464 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.621 17.831 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.618 16.979 5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.426 16.846 3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.528 15.328 5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.593 14.679 2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.893 12.967 5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.950 12.320 2.601 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.797 10.643 3.647 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.607 16.844 1.332 1.00 0.00 N ATOM 1214 CA ARG A 77 -5.218 16.163 0.085 1.00 0.00 C ATOM 1215 C ARG A 77 -4.119 16.970 -0.629 1.00 0.00 C ATOM 1216 O ARG A 77 -3.074 16.421 -0.983 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.463 15.942 -0.836 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.179 15.067 -2.087 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.443 14.613 -2.840 1.00 0.00 C ATOM 1220 NE ARG A 77 -8.116 15.707 -3.558 1.00 0.00 N ATOM 1221 CZ ARG A 77 -9.018 15.543 -4.543 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -9.389 14.320 -4.938 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -9.551 16.605 -5.124 1.00 0.00 N ATOM 0 H ARG A 77 -6.574 17.168 1.335 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.815 15.179 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.256 15.475 -0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.837 16.912 -1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.543 15.628 -2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.616 14.185 -1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.173 13.832 -3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.141 14.170 -2.130 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.881 16.662 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.987 13.496 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.074 14.212 -5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.278 17.541 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.235 16.488 -5.871 1.00 0.00 H new ATOM 1237 N GLN A 78 -4.360 18.284 -0.788 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.410 19.208 -1.446 1.00 0.00 C ATOM 1239 C GLN A 78 -2.073 19.347 -0.682 1.00 0.00 C ATOM 1240 O GLN A 78 -1.038 19.498 -1.317 1.00 0.00 O ATOM 1241 CB GLN A 78 -4.064 20.603 -1.649 1.00 0.00 C ATOM 1242 CG GLN A 78 -3.220 21.605 -2.475 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.869 21.116 -3.894 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -1.803 21.421 -4.418 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.777 20.390 -4.537 1.00 0.00 N ATOM 0 H GLN A 78 -5.215 18.737 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.172 18.772 -2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.027 20.468 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.265 21.040 -0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.765 22.546 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.296 21.815 -1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.656 20.150 -4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.595 20.073 -5.489 1.00 0.00 H new ATOM 1254 N ALA A 79 -2.103 19.291 0.667 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.868 19.391 1.498 1.00 0.00 C ATOM 1256 C ALA A 79 0.075 18.218 1.208 1.00 0.00 C ATOM 1257 O ALA A 79 1.298 18.384 1.130 1.00 0.00 O ATOM 1258 CB ALA A 79 -1.209 19.419 2.992 1.00 0.00 C ATOM 0 H ALA A 79 -2.960 19.178 1.208 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.369 20.324 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.290 19.492 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.843 20.280 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.737 18.505 3.262 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.522 17.037 1.058 1.00 0.00 N ATOM 1265 CA LEU A 80 0.194 15.798 0.742 1.00 0.00 C ATOM 1266 C LEU A 80 0.770 15.869 -0.693 1.00 0.00 C ATOM 1267 O LEU A 80 1.909 15.463 -0.936 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.796 14.612 0.941 1.00 0.00 C ATOM 1269 CG LEU A 80 -0.178 13.192 1.150 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -1.209 12.237 1.763 1.00 0.00 C ATOM 1271 CD2 LEU A 80 0.412 12.591 -0.145 1.00 0.00 C ATOM 0 H LEU A 80 -1.530 16.910 1.153 1.00 0.00 H new ATOM 0 HA LEU A 80 1.047 15.651 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.424 14.837 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.452 14.570 0.071 1.00 0.00 H new ATOM 0 HG LEU A 80 0.653 13.317 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.758 11.254 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.535 12.624 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.068 12.153 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.825 11.605 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.373 12.502 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.201 13.242 -0.522 1.00 0.00 H new ATOM 1283 N ARG A 81 -0.033 16.395 -1.633 1.00 0.00 N ATOM 1284 CA ARG A 81 0.370 16.560 -3.055 1.00 0.00 C ATOM 1285 C ARG A 81 1.414 17.696 -3.216 1.00 0.00 C ATOM 1286 O ARG A 81 2.159 17.738 -4.200 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.880 16.809 -3.939 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.924 15.664 -3.885 1.00 0.00 C ATOM 1289 CD ARG A 81 -3.085 15.848 -4.877 1.00 0.00 C ATOM 1290 NE ARG A 81 -2.651 15.707 -6.276 1.00 0.00 N ATOM 1291 CZ ARG A 81 -3.454 15.702 -7.349 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -4.767 15.895 -7.240 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -2.911 15.528 -8.543 1.00 0.00 N ATOM 0 H ARG A 81 -0.980 16.720 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 81 0.846 15.638 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.357 17.737 -3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.561 16.948 -4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.425 14.717 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.327 15.597 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.862 15.114 -4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.530 16.833 -4.734 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.650 15.604 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.185 16.052 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.355 15.886 -8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.903 15.402 -8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.501 15.520 -9.375 1.00 0.00 H new ATOM 1307 N ASP A 82 1.422 18.624 -2.239 1.00 0.00 N ATOM 1308 CA ASP A 82 2.381 19.752 -2.165 1.00 0.00 C ATOM 1309 C ASP A 82 3.811 19.239 -1.854 1.00 0.00 C ATOM 1310 O ASP A 82 4.800 19.900 -2.198 1.00 0.00 O ATOM 1311 CB ASP A 82 1.907 20.758 -1.074 1.00 0.00 C ATOM 1312 CG ASP A 82 2.768 22.034 -0.960 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.787 22.025 -0.238 1.00 0.00 O ATOM 1314 OD2 ASP A 82 2.412 23.057 -1.577 1.00 0.00 O ATOM 0 H ASP A 82 0.755 18.614 -1.467 1.00 0.00 H new ATOM 0 HA ASP A 82 2.414 20.258 -3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.878 21.048 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.902 20.251 -0.109 1.00 0.00 H new ATOM 1319 N LEU A 83 3.894 18.060 -1.187 1.00 0.00 N ATOM 1320 CA LEU A 83 5.175 17.389 -0.869 1.00 0.00 C ATOM 1321 C LEU A 83 5.904 16.981 -2.169 1.00 0.00 C ATOM 1322 O LEU A 83 5.265 16.417 -3.073 1.00 0.00 O ATOM 1323 CB LEU A 83 4.940 16.135 0.032 1.00 0.00 C ATOM 1324 CG LEU A 83 4.449 16.421 1.485 1.00 0.00 C ATOM 1325 CD1 LEU A 83 4.138 15.114 2.247 1.00 0.00 C ATOM 1326 CD2 LEU A 83 5.479 17.286 2.250 1.00 0.00 C ATOM 0 H LEU A 83 3.075 17.551 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 83 5.799 18.093 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.209 15.492 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.872 15.573 0.088 1.00 0.00 H new ATOM 0 HG LEU A 83 3.518 16.983 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.799 15.352 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.357 14.564 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.038 14.502 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.117 17.474 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.432 16.760 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.614 18.235 1.731 1.00 0.00 H new ATOM 1453 N GLN A 92 11.415 8.397 7.052 1.00 0.00 N ATOM 1454 CA GLN A 92 9.973 8.228 7.236 1.00 0.00 C ATOM 1455 C GLN A 92 9.209 9.111 6.232 1.00 0.00 C ATOM 1456 O GLN A 92 9.281 10.351 6.293 1.00 0.00 O ATOM 1457 CB GLN A 92 9.535 8.562 8.693 1.00 0.00 C ATOM 1458 CG GLN A 92 8.026 8.360 8.944 1.00 0.00 C ATOM 1459 CD GLN A 92 7.601 8.517 10.403 1.00 0.00 C ATOM 1460 OE1 GLN A 92 8.201 9.279 11.164 1.00 0.00 O ATOM 1461 NE2 GLN A 92 6.561 7.796 10.800 1.00 0.00 N ATOM 0 HA GLN A 92 9.732 7.181 7.053 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.097 7.936 9.386 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.797 9.597 8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.471 9.076 8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.743 7.365 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.089 7.176 10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.233 7.862 11.764 1.00 0.00 H new ATOM 1470 N ILE A 93 8.544 8.456 5.265 1.00 0.00 N ATOM 1471 CA ILE A 93 7.516 9.088 4.413 1.00 0.00 C ATOM 1472 C ILE A 93 6.312 9.517 5.284 1.00 0.00 C ATOM 1473 O ILE A 93 5.338 8.771 5.462 1.00 0.00 O ATOM 1474 CB ILE A 93 7.032 8.135 3.234 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.779 6.668 3.755 1.00 0.00 C ATOM 1476 CG2 ILE A 93 8.015 8.167 2.037 1.00 0.00 C ATOM 1477 CD1 ILE A 93 6.033 5.743 2.801 1.00 0.00 C ATOM 0 H ILE A 93 8.703 7.472 5.050 1.00 0.00 H new ATOM 0 HA ILE A 93 7.968 9.964 3.947 1.00 0.00 H new ATOM 0 HB ILE A 93 6.078 8.516 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.742 6.215 3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 93 6.218 6.726 4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.653 7.505 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.085 9.184 1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.000 7.835 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.916 4.762 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.050 6.161 2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.599 5.643 1.875 1.00 0.00 H new ATOM 1489 N VAL A 94 6.385 10.733 5.844 1.00 0.00 N ATOM 1490 CA VAL A 94 5.381 11.248 6.778 1.00 0.00 C ATOM 1491 C VAL A 94 4.589 12.365 6.070 1.00 0.00 C ATOM 1492 O VAL A 94 5.165 13.254 5.431 1.00 0.00 O ATOM 1493 CB VAL A 94 6.043 11.748 8.129 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.111 12.854 7.895 1.00 0.00 C ATOM 1495 CG2 VAL A 94 4.963 12.189 9.152 1.00 0.00 C ATOM 0 H VAL A 94 7.146 11.387 5.659 1.00 0.00 H new ATOM 0 HA VAL A 94 4.697 10.449 7.062 1.00 0.00 H new ATOM 0 HB VAL A 94 6.576 10.899 8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.533 13.161 8.852 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.904 12.465 7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.645 13.713 7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.446 12.527 10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.374 13.004 8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.309 11.347 9.376 1.00 0.00 H new ATOM 1505 N TRP A 95 3.269 12.274 6.161 1.00 0.00 N ATOM 1506 CA TRP A 95 2.331 13.178 5.472 1.00 0.00 C ATOM 1507 C TRP A 95 1.184 13.547 6.433 1.00 0.00 C ATOM 1508 O TRP A 95 1.032 12.883 7.472 1.00 0.00 O ATOM 1509 CB TRP A 95 1.803 12.540 4.129 1.00 0.00 C ATOM 1510 CG TRP A 95 2.046 11.061 3.918 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.587 10.025 4.675 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.806 10.471 2.856 1.00 0.00 C ATOM 1513 NE1 TRP A 95 2.006 8.832 4.151 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.757 9.080 3.035 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.518 10.992 1.764 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.398 8.202 2.169 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 4.154 10.114 0.906 1.00 0.00 C ATOM 1518 CH2 TRP A 95 4.086 8.729 1.116 1.00 0.00 C ATOM 0 H TRP A 95 2.803 11.561 6.723 1.00 0.00 H new ATOM 0 HA TRP A 95 2.851 14.093 5.190 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.729 12.716 4.072 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.259 13.078 3.298 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.979 10.130 5.562 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.793 7.909 4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.568 12.058 1.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.353 7.134 2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.710 10.499 0.064 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.590 8.065 0.429 1.00 0.00 H new ATOM 1529 N PRO A 96 0.372 14.627 6.133 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.811 14.993 6.958 1.00 0.00 C ATOM 1531 C PRO A 96 -1.788 13.814 7.110 1.00 0.00 C ATOM 1532 O PRO A 96 -1.980 13.042 6.166 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.469 16.174 6.179 1.00 0.00 C ATOM 1534 CG PRO A 96 -0.878 16.100 4.803 1.00 0.00 C ATOM 1535 CD PRO A 96 0.527 15.581 4.995 1.00 0.00 C ATOM 0 HA PRO A 96 -0.532 15.265 7.976 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.554 16.073 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.251 17.131 6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.458 15.436 4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.873 17.080 4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.901 15.085 4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.226 16.383 5.231 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.349 13.674 8.312 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.386 12.673 8.615 1.00 0.00 C ATOM 1545 C GLN A 97 -4.761 13.339 8.439 1.00 0.00 C ATOM 1546 O GLN A 97 -4.873 14.566 8.577 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.169 12.105 10.047 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.099 10.932 10.444 1.00 0.00 C ATOM 1549 CD GLN A 97 -3.610 10.170 11.679 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -2.856 9.204 11.558 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.015 10.596 12.863 1.00 0.00 N ATOM 0 H GLN A 97 -2.098 14.254 9.112 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.329 11.824 7.934 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.135 11.772 10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.306 12.914 10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.100 11.318 10.636 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.179 10.240 9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.640 11.399 12.930 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.703 10.121 13.710 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.776 12.539 8.072 1.00 0.00 N ATOM 1561 CA LEU A 98 -7.141 13.043 7.790 1.00 0.00 C ATOM 1562 C LEU A 98 -7.735 13.855 8.984 1.00 0.00 C ATOM 1563 O LEU A 98 -7.483 13.514 10.140 1.00 0.00 O ATOM 1564 CB LEU A 98 -8.085 11.887 7.312 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.957 10.482 7.988 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.222 10.504 9.502 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.861 9.450 7.278 1.00 0.00 C ATOM 0 H LEU A 98 -5.680 11.530 7.961 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.062 13.751 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.113 12.224 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.928 11.754 6.242 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.916 10.179 7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.116 9.497 9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.505 11.166 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.233 10.865 9.689 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.757 8.480 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.900 9.775 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.565 9.366 6.232 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.482 14.972 8.705 1.00 0.00 N ATOM 1580 CA PRO A 99 -9.054 15.853 9.765 1.00 0.00 C ATOM 1581 C PRO A 99 -10.113 15.142 10.649 1.00 0.00 C ATOM 1582 O PRO A 99 -10.197 15.396 11.852 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.669 17.035 8.959 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.916 16.479 7.586 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.799 15.485 7.342 1.00 0.00 C ATOM 0 HA PRO A 99 -8.297 16.169 10.483 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.595 17.385 9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.989 17.886 8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.891 15.995 7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.908 17.270 6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.115 14.683 6.675 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.933 15.960 6.881 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.911 14.256 10.036 1.00 0.00 N ATOM 1594 CA VAL A 100 -11.998 13.530 10.727 1.00 0.00 C ATOM 1595 C VAL A 100 -11.455 12.178 11.264 1.00 0.00 C ATOM 1596 O VAL A 100 -11.307 11.223 10.473 1.00 0.00 O ATOM 1597 CB VAL A 100 -13.235 13.310 9.769 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.402 12.571 10.490 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.704 14.663 9.156 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.163 12.082 12.472 1.00 0.00 O ATOM 0 H VAL A 100 -10.825 14.019 9.048 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.347 14.129 11.568 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.912 12.665 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.233 12.440 9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.058 11.595 10.833 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.733 13.160 11.345 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.557 14.489 8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.995 15.344 9.956 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.889 15.105 8.583 1.00 0.00 H new