USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1057 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 42 MET CE :methyl 169:sc= -3.79! (180deg=-4.13!) USER MOD Set 1.2: A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.173 (180deg=-0.917) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.115 (180deg=-0.389) USER MOD Single : A 2 ASN : amide:sc= -0.359 K(o=-0.36,f=-3.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -5.07 F(o=-6.8!,f=-5.1) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0504 USER MOD Single : A 17 GLN : amide:sc= 0.779 K(o=0.78,f=-0.059) USER MOD Single : A 24 THR OG1 : rot 109:sc= 1.25 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 156:sc= -0.0385 (180deg=-0.372) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 30:sc= 0.0973 USER MOD Single : A 46 CYS SG : rot 126:sc= 0.315 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0134 F(o=-0.75,f=-0.013) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.419 K(o=-0.42,f=-3.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 151:sc= -4.61! (180deg=-5.67!) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.0833 F(o=-0.79,f=0.083) USER MOD Single : A 81 ASN : amide:sc= -6.9! C(o=-6.9!,f=-10!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0631 F(o=-2.4,f=-0.063) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS :FLIP no HE2:sc= 0.238 F(o=-1,f=0.24) USER MOD Single : A 131 HIS : no HD1:sc= -0.0765 K(o=-0.076,f=-2.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.485 -5.050 29.989 1.00 0.00 N ATOM 2 CA MET A 1 0.117 -4.967 28.552 1.00 0.00 C ATOM 3 C MET A 1 -0.420 -3.581 28.204 1.00 0.00 C ATOM 4 O MET A 1 -1.552 -3.237 28.542 1.00 0.00 O ATOM 5 CB MET A 1 -0.928 -6.036 28.213 1.00 0.00 C ATOM 6 CG MET A 1 -2.129 -6.035 29.145 1.00 0.00 C ATOM 7 SD MET A 1 -3.283 -7.375 28.794 1.00 0.00 S ATOM 8 CE MET A 1 -2.241 -8.803 29.082 1.00 0.00 C ATOM 0 H1 MET A 1 0.652 -6.043 30.248 1.00 0.00 H new ATOM 0 H2 MET A 1 1.350 -4.498 30.158 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.289 -4.667 30.568 1.00 0.00 H new ATOM 0 HA MET A 1 1.015 -5.144 27.960 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.273 -5.883 27.190 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.455 -7.017 28.246 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.784 -6.119 30.176 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.649 -5.081 29.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.865 -9.676 29.274 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.623 -8.985 28.203 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.600 -8.618 29.944 1.00 0.00 H new ATOM 20 N ASN A 2 0.406 -2.788 27.531 1.00 0.00 N ATOM 21 CA ASN A 2 0.018 -1.438 27.135 1.00 0.00 C ATOM 22 C ASN A 2 0.704 -1.033 25.834 1.00 0.00 C ATOM 23 O ASN A 2 0.776 0.148 25.500 1.00 0.00 O ATOM 24 CB ASN A 2 0.362 -0.440 28.243 1.00 0.00 C ATOM 25 CG ASN A 2 1.811 -0.533 28.684 1.00 0.00 C ATOM 26 OD1 ASN A 2 2.690 -0.890 27.901 1.00 0.00 O ATOM 27 ND2 ASN A 2 2.065 -0.208 29.947 1.00 0.00 N ATOM 0 H ASN A 2 1.349 -3.056 27.248 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.060 -1.429 26.972 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.157 0.571 27.892 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.287 -0.617 29.101 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.020 -0.249 30.302 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.305 0.083 30.562 1.00 0.00 H new ATOM 34 N THR A 3 1.201 -2.026 25.101 1.00 0.00 N ATOM 35 CA THR A 3 1.881 -1.776 23.836 1.00 0.00 C ATOM 36 C THR A 3 0.885 -1.432 22.732 1.00 0.00 C ATOM 37 O THR A 3 1.260 -1.291 21.568 1.00 0.00 O ATOM 38 CB THR A 3 2.714 -2.995 23.397 1.00 0.00 C ATOM 39 OG1 THR A 3 1.858 -4.124 23.187 1.00 0.00 O ATOM 40 CG2 THR A 3 3.765 -3.336 24.443 1.00 0.00 C ATOM 0 H THR A 3 1.145 -3.010 25.362 1.00 0.00 H new ATOM 0 HA THR A 3 2.546 -0.928 23.998 1.00 0.00 H new ATOM 0 HB THR A 3 3.220 -2.745 22.464 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.395 -4.894 22.907 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.341 -4.200 24.112 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.433 -2.485 24.579 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.275 -3.568 25.389 1.00 0.00 H new ATOM 48 N GLU A 4 -0.384 -1.299 23.107 1.00 0.00 N ATOM 49 CA GLU A 4 -1.435 -0.972 22.149 1.00 0.00 C ATOM 50 C GLU A 4 -1.217 0.416 21.556 1.00 0.00 C ATOM 51 O GLU A 4 -0.547 1.258 22.155 1.00 0.00 O ATOM 52 CB GLU A 4 -2.809 -1.043 22.820 1.00 0.00 C ATOM 53 CG GLU A 4 -3.228 -2.450 23.216 1.00 0.00 C ATOM 54 CD GLU A 4 -2.330 -3.055 24.278 1.00 0.00 C ATOM 55 OE1 GLU A 4 -2.589 -2.822 25.477 1.00 0.00 O ATOM 56 OE2 GLU A 4 -1.369 -3.762 23.910 1.00 0.00 O ATOM 0 H GLU A 4 -0.709 -1.413 24.067 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.396 -1.703 21.342 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.801 -0.413 23.709 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.556 -0.629 22.142 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.254 -2.428 23.584 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.219 -3.089 22.333 1.00 0.00 H new ATOM 63 N GLU A 5 -1.787 0.647 20.375 1.00 0.00 N ATOM 64 CA GLU A 5 -1.661 1.933 19.694 1.00 0.00 C ATOM 65 C GLU A 5 -0.194 2.254 19.416 1.00 0.00 C ATOM 66 O GLU A 5 0.524 2.731 20.295 1.00 0.00 O ATOM 67 CB GLU A 5 -2.301 3.042 20.536 1.00 0.00 C ATOM 68 CG GLU A 5 -2.469 4.362 19.797 1.00 0.00 C ATOM 69 CD GLU A 5 -1.171 5.138 19.676 1.00 0.00 C ATOM 70 OE1 GLU A 5 -0.710 5.686 20.698 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.619 5.197 18.558 1.00 0.00 O ATOM 0 H GLU A 5 -2.342 -0.043 19.869 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.184 1.872 18.740 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.278 2.704 20.881 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.690 3.209 21.423 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.865 4.167 18.800 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.205 4.974 20.318 1.00 0.00 H new ATOM 78 N GLN A 6 0.242 1.991 18.187 1.00 0.00 N ATOM 79 CA GLN A 6 1.625 2.247 17.797 1.00 0.00 C ATOM 80 C GLN A 6 1.852 3.729 17.498 1.00 0.00 C ATOM 81 O GLN A 6 1.073 4.354 16.780 1.00 0.00 O ATOM 82 CB GLN A 6 2.014 1.396 16.581 1.00 0.00 C ATOM 83 CG GLN A 6 0.877 1.136 15.602 1.00 0.00 C ATOM 84 CD GLN A 6 0.301 2.407 15.009 1.00 0.00 C ATOM 85 OE1 GLN A 6 0.897 2.874 13.917 1.00 0.00 O flip ATOM 86 NE2 GLN A 6 -0.667 2.963 15.526 1.00 0.00 N flip ATOM 0 H GLN A 6 -0.341 1.602 17.446 1.00 0.00 H new ATOM 0 HA GLN A 6 2.261 1.968 18.637 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.827 1.893 16.051 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.400 0.439 16.932 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.238 0.497 14.796 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.084 0.588 16.112 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.094 2.569 16.365 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.043 3.818 15.116 1.00 0.00 H new ATOM 95 N PRO A 7 2.930 4.314 18.053 1.00 0.00 N ATOM 96 CA PRO A 7 3.261 5.728 17.844 1.00 0.00 C ATOM 97 C PRO A 7 3.694 6.019 16.417 1.00 0.00 C ATOM 98 O PRO A 7 4.100 7.132 16.085 1.00 0.00 O ATOM 99 CB PRO A 7 4.429 5.980 18.803 1.00 0.00 C ATOM 100 CG PRO A 7 4.449 4.808 19.728 1.00 0.00 C ATOM 101 CD PRO A 7 3.898 3.657 18.940 1.00 0.00 C ATOM 0 HA PRO A 7 2.397 6.367 18.024 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.370 6.067 18.260 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.291 6.911 19.353 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.462 4.598 20.071 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.845 4.999 20.615 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.676 3.140 18.379 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.422 2.916 19.582 1.00 0.00 H new ATOM 109 N VAL A 8 3.598 5.004 15.588 1.00 0.00 N ATOM 110 CA VAL A 8 3.977 5.110 14.184 1.00 0.00 C ATOM 111 C VAL A 8 2.916 5.857 13.383 1.00 0.00 C ATOM 112 O VAL A 8 1.742 5.485 13.391 1.00 0.00 O ATOM 113 CB VAL A 8 4.186 3.720 13.555 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.982 3.834 12.262 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.879 2.785 14.536 1.00 0.00 C ATOM 0 H VAL A 8 3.257 4.082 15.860 1.00 0.00 H new ATOM 0 HA VAL A 8 4.915 5.665 14.151 1.00 0.00 H new ATOM 0 HB VAL A 8 3.209 3.299 13.319 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.120 2.842 11.831 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.441 4.464 11.556 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.955 4.277 12.472 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.017 1.808 14.072 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.850 3.198 14.808 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.266 2.678 15.431 1.00 0.00 H new ATOM 125 N THR A 9 3.336 6.911 12.691 1.00 0.00 N ATOM 126 CA THR A 9 2.423 7.707 11.880 1.00 0.00 C ATOM 127 C THR A 9 3.063 8.079 10.550 1.00 0.00 C ATOM 128 O THR A 9 4.244 8.423 10.493 1.00 0.00 O ATOM 129 CB THR A 9 1.998 8.996 12.606 1.00 0.00 C ATOM 130 OG1 THR A 9 3.150 9.791 12.910 1.00 0.00 O ATOM 131 CG2 THR A 9 1.242 8.676 13.886 1.00 0.00 C ATOM 0 H THR A 9 4.304 7.234 12.676 1.00 0.00 H new ATOM 0 HA THR A 9 1.540 7.093 11.703 1.00 0.00 H new ATOM 0 HB THR A 9 1.336 9.555 11.945 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.870 10.610 13.370 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.953 9.604 14.380 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.349 8.099 13.646 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.881 8.095 14.551 1.00 0.00 H new ATOM 139 N ALA A 10 2.277 8.010 9.483 1.00 0.00 N ATOM 140 CA ALA A 10 2.772 8.339 8.153 1.00 0.00 C ATOM 141 C ALA A 10 2.740 9.844 7.909 1.00 0.00 C ATOM 142 O ALA A 10 2.280 10.611 8.753 1.00 0.00 O ATOM 143 CB ALA A 10 1.959 7.611 7.093 1.00 0.00 C ATOM 0 H ALA A 10 1.297 7.730 9.513 1.00 0.00 H new ATOM 0 HA ALA A 10 3.810 8.012 8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.340 7.866 6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.041 6.535 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.913 7.910 7.168 1.00 0.00 H new ATOM 149 N SER A 11 3.234 10.259 6.745 1.00 0.00 N ATOM 150 CA SER A 11 3.267 11.674 6.387 1.00 0.00 C ATOM 151 C SER A 11 3.364 11.852 4.875 1.00 0.00 C ATOM 152 O SER A 11 3.751 10.932 4.157 1.00 0.00 O ATOM 153 CB SER A 11 4.448 12.366 7.069 1.00 0.00 C ATOM 154 OG SER A 11 4.499 13.741 6.731 1.00 0.00 O ATOM 0 H SER A 11 3.617 9.636 6.034 1.00 0.00 H new ATOM 0 HA SER A 11 2.338 12.131 6.729 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.362 12.257 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.378 11.881 6.773 1.00 0.00 H new ATOM 0 HG SER A 11 5.262 14.160 7.181 1.00 0.00 H new ATOM 160 N LEU A 12 3.009 13.040 4.396 1.00 0.00 N ATOM 161 CA LEU A 12 3.059 13.330 2.969 1.00 0.00 C ATOM 162 C LEU A 12 4.388 13.979 2.590 1.00 0.00 C ATOM 163 O LEU A 12 4.738 15.043 3.100 1.00 0.00 O ATOM 164 CB LEU A 12 1.898 14.244 2.574 1.00 0.00 C ATOM 165 CG LEU A 12 1.683 14.401 1.069 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.417 13.047 0.427 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.535 15.359 0.795 1.00 0.00 C ATOM 0 H LEU A 12 2.684 13.815 4.974 1.00 0.00 H new ATOM 0 HA LEU A 12 2.971 12.388 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.982 13.855 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.068 15.230 3.006 1.00 0.00 H new ATOM 0 HG LEU A 12 2.590 14.817 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.266 13.176 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.270 12.390 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.524 12.604 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.395 15.460 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.378 14.970 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.765 16.334 1.224 1.00 0.00 H new ATOM 179 N VAL A 13 5.121 13.330 1.691 1.00 0.00 N ATOM 180 CA VAL A 13 6.413 13.839 1.242 1.00 0.00 C ATOM 181 C VAL A 13 6.237 14.892 0.150 1.00 0.00 C ATOM 182 O VAL A 13 5.202 14.941 -0.515 1.00 0.00 O ATOM 183 CB VAL A 13 7.306 12.703 0.706 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.739 13.184 0.528 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.253 11.498 1.633 1.00 0.00 C ATOM 0 H VAL A 13 4.842 12.449 1.258 1.00 0.00 H new ATOM 0 HA VAL A 13 6.896 14.293 2.107 1.00 0.00 H new ATOM 0 HB VAL A 13 6.926 12.400 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.353 12.367 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.759 14.012 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.133 13.518 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.890 10.707 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.604 11.786 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.227 11.137 1.703 1.00 0.00 H new ATOM 195 N ALA A 14 7.253 15.734 -0.026 1.00 0.00 N ATOM 196 CA ALA A 14 7.211 16.783 -1.038 1.00 0.00 C ATOM 197 C ALA A 14 6.935 16.196 -2.418 1.00 0.00 C ATOM 198 O ALA A 14 7.285 15.050 -2.695 1.00 0.00 O ATOM 199 CB ALA A 14 8.518 17.562 -1.045 1.00 0.00 C ATOM 0 H ALA A 14 8.114 15.709 0.520 1.00 0.00 H new ATOM 0 HA ALA A 14 6.398 17.465 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.473 18.342 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.676 18.017 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.343 16.886 -1.268 1.00 0.00 H new ATOM 205 N GLU A 15 6.306 16.988 -3.280 1.00 0.00 N ATOM 206 CA GLU A 15 5.978 16.541 -4.628 1.00 0.00 C ATOM 207 C GLU A 15 7.227 16.446 -5.498 1.00 0.00 C ATOM 208 O GLU A 15 7.243 15.730 -6.500 1.00 0.00 O ATOM 209 CB GLU A 15 4.968 17.491 -5.273 1.00 0.00 C ATOM 210 CG GLU A 15 5.487 18.910 -5.437 1.00 0.00 C ATOM 211 CD GLU A 15 4.503 19.811 -6.157 1.00 0.00 C ATOM 212 OE1 GLU A 15 3.651 20.423 -5.479 1.00 0.00 O ATOM 213 OE2 GLU A 15 4.585 19.906 -7.400 1.00 0.00 O ATOM 0 H GLU A 15 6.013 17.942 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 15 5.538 15.547 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.687 17.100 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.063 17.512 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.706 19.329 -4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.426 18.888 -5.990 1.00 0.00 H new ATOM 220 N ALA A 16 8.271 17.170 -5.112 1.00 0.00 N ATOM 221 CA ALA A 16 9.519 17.167 -5.865 1.00 0.00 C ATOM 222 C ALA A 16 10.585 16.321 -5.179 1.00 0.00 C ATOM 223 O ALA A 16 11.735 16.293 -5.616 1.00 0.00 O ATOM 224 CB ALA A 16 10.024 18.589 -6.056 1.00 0.00 C ATOM 0 H ALA A 16 8.278 17.765 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 16 9.316 16.724 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.957 18.571 -6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.280 19.169 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.197 19.047 -5.082 1.00 0.00 H new ATOM 230 N GLN A 17 10.202 15.627 -4.111 1.00 0.00 N ATOM 231 CA GLN A 17 11.143 14.790 -3.372 1.00 0.00 C ATOM 232 C GLN A 17 10.621 13.366 -3.248 1.00 0.00 C ATOM 233 O GLN A 17 11.378 12.436 -2.974 1.00 0.00 O ATOM 234 CB GLN A 17 11.391 15.373 -1.978 1.00 0.00 C ATOM 235 CG GLN A 17 12.097 16.718 -1.996 1.00 0.00 C ATOM 236 CD GLN A 17 13.542 16.609 -2.441 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.449 16.477 -1.619 1.00 0.00 O ATOM 238 NE2 GLN A 17 13.761 16.651 -3.749 1.00 0.00 N ATOM 0 H GLN A 17 9.252 15.627 -3.739 1.00 0.00 H new ATOM 0 HA GLN A 17 12.082 14.769 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.436 15.481 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.987 14.667 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.565 17.395 -2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.059 17.158 -0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.978 16.762 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.712 16.573 -4.110 1.00 0.00 H new ATOM 247 N ARG A 18 9.320 13.207 -3.455 1.00 0.00 N ATOM 248 CA ARG A 18 8.683 11.901 -3.363 1.00 0.00 C ATOM 249 C ARG A 18 9.062 11.016 -4.546 1.00 0.00 C ATOM 250 O ARG A 18 8.970 9.790 -4.468 1.00 0.00 O ATOM 251 CB ARG A 18 7.166 12.068 -3.296 1.00 0.00 C ATOM 252 CG ARG A 18 6.565 12.674 -4.552 1.00 0.00 C ATOM 253 CD ARG A 18 5.149 13.159 -4.300 1.00 0.00 C ATOM 254 NE ARG A 18 4.430 13.429 -5.541 1.00 0.00 N ATOM 255 CZ ARG A 18 3.208 13.953 -5.586 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.579 14.273 -4.463 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.617 14.159 -6.755 1.00 0.00 N ATOM 0 H ARG A 18 8.684 13.970 -3.688 1.00 0.00 H new ATOM 0 HA ARG A 18 9.034 11.414 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.709 11.094 -3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.916 12.698 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.183 13.506 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.562 11.933 -5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.607 12.409 -3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.179 14.065 -3.695 1.00 0.00 H new ATOM 0 HE ARG A 18 4.890 13.203 -6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.032 14.117 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.642 14.675 -4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.099 13.916 -7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.680 14.561 -6.789 1.00 0.00 H new ATOM 271 N LEU A 19 9.489 11.639 -5.641 1.00 0.00 N ATOM 272 CA LEU A 19 9.878 10.893 -6.833 1.00 0.00 C ATOM 273 C LEU A 19 11.234 10.226 -6.634 1.00 0.00 C ATOM 274 O LEU A 19 11.598 9.304 -7.365 1.00 0.00 O ATOM 275 CB LEU A 19 9.922 11.810 -8.059 1.00 0.00 C ATOM 276 CG LEU A 19 11.161 12.704 -8.171 1.00 0.00 C ATOM 277 CD1 LEU A 19 11.170 13.431 -9.508 1.00 0.00 C ATOM 278 CD2 LEU A 19 11.214 13.699 -7.023 1.00 0.00 C ATOM 0 H LEU A 19 9.574 12.652 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 19 9.129 10.120 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.859 11.193 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.037 12.446 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 19 12.047 12.071 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.056 14.062 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.183 12.702 -10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.277 14.050 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.102 14.323 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.324 14.328 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.254 13.160 -6.076 1.00 0.00 H new ATOM 290 N ASP A 20 11.975 10.698 -5.640 1.00 0.00 N ATOM 291 CA ASP A 20 13.287 10.145 -5.332 1.00 0.00 C ATOM 292 C ASP A 20 13.271 9.515 -3.950 1.00 0.00 C ATOM 293 O ASP A 20 14.215 8.836 -3.549 1.00 0.00 O ATOM 294 CB ASP A 20 14.358 11.232 -5.389 1.00 0.00 C ATOM 295 CG ASP A 20 15.742 10.667 -5.641 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.427 10.315 -4.658 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.141 10.578 -6.821 1.00 0.00 O ATOM 0 H ASP A 20 11.688 11.465 -5.032 1.00 0.00 H new ATOM 0 HA ASP A 20 13.523 9.384 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.109 11.942 -6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.360 11.786 -4.450 1.00 0.00 H new ATOM 302 N PHE A 21 12.181 9.748 -3.228 1.00 0.00 N ATOM 303 CA PHE A 21 12.019 9.211 -1.884 1.00 0.00 C ATOM 304 C PHE A 21 11.571 7.758 -1.956 1.00 0.00 C ATOM 305 O PHE A 21 11.952 6.936 -1.123 1.00 0.00 O ATOM 306 CB PHE A 21 10.998 10.037 -1.101 1.00 0.00 C ATOM 307 CG PHE A 21 11.105 9.877 0.389 1.00 0.00 C ATOM 308 CD1 PHE A 21 12.039 10.601 1.110 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.270 9.002 1.066 1.00 0.00 C ATOM 310 CE1 PHE A 21 12.140 10.458 2.480 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.366 8.854 2.437 1.00 0.00 C ATOM 312 CZ PHE A 21 11.302 9.583 3.145 1.00 0.00 C ATOM 0 H PHE A 21 11.393 10.308 -3.554 1.00 0.00 H new ATOM 0 HA PHE A 21 12.978 9.262 -1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.125 11.090 -1.354 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.994 9.752 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.697 11.286 0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.537 8.430 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.873 11.029 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.710 8.169 2.954 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.379 9.469 4.216 1.00 0.00 H new ATOM 322 N LEU A 22 10.756 7.453 -2.962 1.00 0.00 N ATOM 323 CA LEU A 22 10.262 6.098 -3.160 1.00 0.00 C ATOM 324 C LEU A 22 11.422 5.151 -3.475 1.00 0.00 C ATOM 325 O LEU A 22 11.552 4.103 -2.848 1.00 0.00 O ATOM 326 CB LEU A 22 9.221 6.063 -4.286 1.00 0.00 C ATOM 327 CG LEU A 22 8.107 5.024 -4.122 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.685 3.618 -4.052 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.275 5.322 -2.883 1.00 0.00 C ATOM 0 H LEU A 22 10.425 8.128 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 22 9.782 5.767 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.765 7.050 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.736 5.872 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 22 7.457 5.082 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.876 2.897 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.233 3.404 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.361 3.545 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.489 4.573 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.914 5.296 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.825 6.310 -2.976 1.00 0.00 H new ATOM 341 N PRO A 23 12.283 5.500 -4.456 1.00 0.00 N ATOM 342 CA PRO A 23 13.435 4.667 -4.819 1.00 0.00 C ATOM 343 C PRO A 23 14.527 4.712 -3.757 1.00 0.00 C ATOM 344 O PRO A 23 15.438 3.886 -3.745 1.00 0.00 O ATOM 345 CB PRO A 23 13.931 5.295 -6.123 1.00 0.00 C ATOM 346 CG PRO A 23 13.505 6.720 -6.040 1.00 0.00 C ATOM 347 CD PRO A 23 12.202 6.718 -5.290 1.00 0.00 C ATOM 0 HA PRO A 23 13.168 3.615 -4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.014 5.210 -6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.496 4.801 -6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.252 7.322 -5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.383 7.150 -7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.089 7.615 -4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.349 6.684 -5.968 1.00 0.00 H new ATOM 355 N THR A 24 14.433 5.696 -2.872 1.00 0.00 N ATOM 356 CA THR A 24 15.405 5.862 -1.797 1.00 0.00 C ATOM 357 C THR A 24 15.069 4.982 -0.594 1.00 0.00 C ATOM 358 O THR A 24 15.964 4.489 0.094 1.00 0.00 O ATOM 359 CB THR A 24 15.482 7.338 -1.353 1.00 0.00 C ATOM 360 OG1 THR A 24 16.332 8.073 -2.241 1.00 0.00 O ATOM 361 CG2 THR A 24 15.999 7.465 0.071 1.00 0.00 C ATOM 0 H THR A 24 13.690 6.395 -2.877 1.00 0.00 H new ATOM 0 HA THR A 24 16.374 5.553 -2.189 1.00 0.00 H new ATOM 0 HB THR A 24 14.473 7.749 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.789 8.680 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 24 16.040 8.518 0.351 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.330 6.935 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.998 7.033 0.135 1.00 0.00 H new ATOM 369 N TYR A 25 13.779 4.780 -0.350 1.00 0.00 N ATOM 370 CA TYR A 25 13.335 3.966 0.778 1.00 0.00 C ATOM 371 C TYR A 25 12.948 2.562 0.329 1.00 0.00 C ATOM 372 O TYR A 25 13.037 1.606 1.100 1.00 0.00 O ATOM 373 CB TYR A 25 12.155 4.635 1.481 1.00 0.00 C ATOM 374 CG TYR A 25 12.523 5.281 2.798 1.00 0.00 C ATOM 375 CD1 TYR A 25 13.172 6.509 2.835 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.224 4.660 4.004 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.512 7.100 4.037 1.00 0.00 C ATOM 378 CE2 TYR A 25 12.561 5.245 5.210 1.00 0.00 C ATOM 379 CZ TYR A 25 13.204 6.464 5.221 1.00 0.00 C ATOM 380 OH TYR A 25 13.542 7.049 6.420 1.00 0.00 O ATOM 0 H TYR A 25 13.023 5.167 -0.916 1.00 0.00 H new ATOM 0 HA TYR A 25 14.167 3.881 1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.731 5.391 0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.377 3.891 1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.415 7.010 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.720 3.705 3.999 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.016 8.055 4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.322 4.749 6.139 1.00 0.00 H new ATOM 0 HH TYR A 25 13.254 6.472 7.158 1.00 0.00 H new ATOM 390 N PHE A 26 12.520 2.446 -0.920 1.00 0.00 N ATOM 391 CA PHE A 26 12.120 1.162 -1.478 1.00 0.00 C ATOM 392 C PHE A 26 13.239 0.597 -2.341 1.00 0.00 C ATOM 393 O PHE A 26 13.581 -0.581 -2.243 1.00 0.00 O ATOM 394 CB PHE A 26 10.844 1.325 -2.309 1.00 0.00 C ATOM 395 CG PHE A 26 9.960 0.106 -2.323 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.826 -0.689 -1.194 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.259 -0.239 -3.467 1.00 0.00 C ATOM 398 CE1 PHE A 26 9.010 -1.805 -1.209 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.441 -1.354 -3.487 1.00 0.00 C ATOM 400 CZ PHE A 26 8.317 -2.137 -2.356 1.00 0.00 C ATOM 0 H PHE A 26 12.441 3.229 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 26 11.921 0.468 -0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.275 2.169 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.120 1.572 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.365 -0.433 -0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.352 0.370 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.915 -2.417 -0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.900 -1.612 -4.385 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.679 -3.008 -2.369 1.00 0.00 H new ATOM 410 N GLY A 27 13.809 1.453 -3.181 1.00 0.00 N ATOM 411 CA GLY A 27 14.890 1.034 -4.052 1.00 0.00 C ATOM 412 C GLY A 27 14.824 1.695 -5.417 1.00 0.00 C ATOM 413 O GLY A 27 13.739 1.857 -5.973 1.00 0.00 O ATOM 0 H GLY A 27 13.541 2.433 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.844 1.272 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.856 -0.049 -4.174 1.00 0.00 H new ATOM 417 N PRO A 28 15.978 2.088 -5.985 1.00 0.00 N ATOM 418 CA PRO A 28 16.027 2.742 -7.297 1.00 0.00 C ATOM 419 C PRO A 28 15.440 1.867 -8.398 1.00 0.00 C ATOM 420 O PRO A 28 15.083 2.357 -9.468 1.00 0.00 O ATOM 421 CB PRO A 28 17.524 2.973 -7.537 1.00 0.00 C ATOM 422 CG PRO A 28 18.218 2.045 -6.599 1.00 0.00 C ATOM 423 CD PRO A 28 17.319 1.923 -5.403 1.00 0.00 C ATOM 0 HA PRO A 28 15.439 3.659 -7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.794 2.762 -8.572 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.799 4.009 -7.341 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.385 1.073 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.195 2.435 -6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.430 0.957 -4.910 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.533 2.688 -4.657 1.00 0.00 H new ATOM 431 N ARG A 29 15.348 0.570 -8.128 1.00 0.00 N ATOM 432 CA ARG A 29 14.798 -0.369 -9.095 1.00 0.00 C ATOM 433 C ARG A 29 13.328 -0.651 -8.804 1.00 0.00 C ATOM 434 O ARG A 29 12.513 -0.747 -9.722 1.00 0.00 O ATOM 435 CB ARG A 29 15.598 -1.676 -9.083 1.00 0.00 C ATOM 436 CG ARG A 29 15.148 -2.684 -10.132 1.00 0.00 C ATOM 437 CD ARG A 29 14.042 -3.587 -9.607 1.00 0.00 C ATOM 438 NE ARG A 29 13.507 -4.461 -10.649 1.00 0.00 N ATOM 439 CZ ARG A 29 13.464 -5.788 -10.549 1.00 0.00 C ATOM 440 NH1 ARG A 29 13.931 -6.390 -9.464 1.00 0.00 N ATOM 441 NH2 ARG A 29 12.956 -6.512 -11.535 1.00 0.00 N ATOM 0 H ARG A 29 15.647 0.147 -7.249 1.00 0.00 H new ATOM 0 HA ARG A 29 14.872 0.082 -10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.652 -1.447 -9.242 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.516 -2.132 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.796 -2.155 -11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 29 15.998 -3.292 -10.441 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.428 -4.194 -8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.238 -2.975 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 29 13.146 -4.030 -11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.325 -5.836 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.897 -7.407 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.597 -6.053 -12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.924 -7.529 -11.457 1.00 0.00 H new ATOM 455 N LEU A 30 12.990 -0.785 -7.523 1.00 0.00 N ATOM 456 CA LEU A 30 11.621 -1.067 -7.111 1.00 0.00 C ATOM 457 C LEU A 30 10.686 0.107 -7.370 1.00 0.00 C ATOM 458 O LEU A 30 9.521 -0.093 -7.682 1.00 0.00 O ATOM 459 CB LEU A 30 11.593 -1.417 -5.622 1.00 0.00 C ATOM 460 CG LEU A 30 12.327 -2.702 -5.236 1.00 0.00 C ATOM 461 CD1 LEU A 30 12.283 -2.900 -3.728 1.00 0.00 C ATOM 462 CD2 LEU A 30 11.723 -3.902 -5.951 1.00 0.00 C ATOM 0 H LEU A 30 13.651 -0.702 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 30 11.269 -1.909 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.028 -0.588 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.553 -1.504 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 30 13.368 -2.612 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.809 -3.818 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.763 -2.054 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.246 -2.970 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.260 -4.806 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.673 -4.000 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.803 -3.761 -7.029 1.00 0.00 H new ATOM 474 N MET A 31 11.195 1.323 -7.209 1.00 0.00 N ATOM 475 CA MET A 31 10.401 2.539 -7.415 1.00 0.00 C ATOM 476 C MET A 31 9.299 2.365 -8.461 1.00 0.00 C ATOM 477 O MET A 31 8.189 2.861 -8.279 1.00 0.00 O ATOM 478 CB MET A 31 11.316 3.696 -7.813 1.00 0.00 C ATOM 479 CG MET A 31 12.284 3.341 -8.927 1.00 0.00 C ATOM 480 SD MET A 31 12.035 4.336 -10.412 1.00 0.00 S ATOM 481 CE MET A 31 12.393 5.975 -9.785 1.00 0.00 C ATOM 0 H MET A 31 12.161 1.498 -6.934 1.00 0.00 H new ATOM 0 HA MET A 31 9.907 2.757 -6.468 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.705 4.542 -8.128 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.882 4.020 -6.939 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.306 3.476 -8.572 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.171 2.286 -9.178 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.700 6.620 -10.608 1.00 0.00 H new ATOM 0 HE2 MET A 31 11.501 6.387 -9.314 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.196 5.916 -9.051 1.00 0.00 H new ATOM 491 N MET A 32 9.602 1.665 -9.547 1.00 0.00 N ATOM 492 CA MET A 32 8.623 1.442 -10.606 1.00 0.00 C ATOM 493 C MET A 32 8.031 0.041 -10.504 1.00 0.00 C ATOM 494 O MET A 32 6.872 -0.183 -10.853 1.00 0.00 O ATOM 495 CB MET A 32 9.271 1.638 -11.977 1.00 0.00 C ATOM 496 CG MET A 32 10.379 0.641 -12.272 1.00 0.00 C ATOM 497 SD MET A 32 11.224 0.982 -13.828 1.00 0.00 S ATOM 498 CE MET A 32 12.532 -0.242 -13.779 1.00 0.00 C ATOM 0 H MET A 32 10.515 1.243 -9.718 1.00 0.00 H new ATOM 0 HA MET A 32 7.819 2.168 -10.488 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.504 1.556 -12.747 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.676 2.648 -12.037 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.104 0.658 -11.458 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.959 -0.364 -12.304 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.143 -0.157 -14.677 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.154 -0.075 -12.900 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.095 -1.239 -13.730 1.00 0.00 H new ATOM 508 N ARG A 33 8.840 -0.897 -10.023 1.00 0.00 N ATOM 509 CA ARG A 33 8.407 -2.278 -9.867 1.00 0.00 C ATOM 510 C ARG A 33 7.466 -2.425 -8.676 1.00 0.00 C ATOM 511 O ARG A 33 6.826 -3.463 -8.506 1.00 0.00 O ATOM 512 CB ARG A 33 9.620 -3.192 -9.689 1.00 0.00 C ATOM 513 CG ARG A 33 10.592 -3.146 -10.855 1.00 0.00 C ATOM 514 CD ARG A 33 10.003 -3.792 -12.100 1.00 0.00 C ATOM 515 NE ARG A 33 9.732 -5.214 -11.900 1.00 0.00 N ATOM 516 CZ ARG A 33 9.334 -6.032 -12.869 1.00 0.00 C ATOM 517 NH1 ARG A 33 9.157 -5.572 -14.101 1.00 0.00 N ATOM 518 NH2 ARG A 33 9.113 -7.314 -12.608 1.00 0.00 N ATOM 0 H ARG A 33 9.803 -0.723 -9.734 1.00 0.00 H new ATOM 0 HA ARG A 33 7.867 -2.568 -10.768 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.146 -2.910 -8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.275 -4.217 -9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.854 -2.110 -11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.515 -3.657 -10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.079 -3.281 -12.372 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.693 -3.668 -12.934 1.00 0.00 H new ATOM 0 HE ARG A 33 9.855 -5.601 -10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.326 -4.588 -14.307 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.852 -6.203 -14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.249 -7.673 -11.663 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.808 -7.941 -13.353 1.00 0.00 H new ATOM 532 N GLY A 34 7.385 -1.383 -7.852 1.00 0.00 N ATOM 533 CA GLY A 34 6.520 -1.420 -6.690 1.00 0.00 C ATOM 534 C GLY A 34 5.327 -0.502 -6.839 1.00 0.00 C ATOM 535 O GLY A 34 4.204 -0.876 -6.503 1.00 0.00 O ATOM 0 H GLY A 34 7.905 -0.513 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.173 -2.441 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.089 -1.133 -5.806 1.00 0.00 H new ATOM 539 N GLU A 35 5.571 0.709 -7.336 1.00 0.00 N ATOM 540 CA GLU A 35 4.500 1.674 -7.540 1.00 0.00 C ATOM 541 C GLU A 35 3.443 1.083 -8.461 1.00 0.00 C ATOM 542 O GLU A 35 2.248 1.323 -8.294 1.00 0.00 O ATOM 543 CB GLU A 35 5.044 2.977 -8.133 1.00 0.00 C ATOM 544 CG GLU A 35 5.566 2.832 -9.554 1.00 0.00 C ATOM 545 CD GLU A 35 5.963 4.160 -10.169 1.00 0.00 C ATOM 546 OE1 GLU A 35 5.092 4.813 -10.781 1.00 0.00 O ATOM 547 OE2 GLU A 35 7.143 4.546 -10.039 1.00 0.00 O ATOM 0 H GLU A 35 6.498 1.042 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 35 4.051 1.901 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.255 3.729 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.847 3.348 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.427 2.164 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.800 2.364 -10.172 1.00 0.00 H new ATOM 554 N ALA A 36 3.900 0.305 -9.439 1.00 0.00 N ATOM 555 CA ALA A 36 2.998 -0.336 -10.387 1.00 0.00 C ATOM 556 C ALA A 36 2.359 -1.576 -9.772 1.00 0.00 C ATOM 557 O ALA A 36 1.355 -2.083 -10.271 1.00 0.00 O ATOM 558 CB ALA A 36 3.745 -0.701 -11.660 1.00 0.00 C ATOM 0 H ALA A 36 4.888 0.105 -9.594 1.00 0.00 H new ATOM 0 HA ALA A 36 2.204 0.368 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.060 -1.179 -12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.155 0.202 -12.113 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.557 -1.388 -11.421 1.00 0.00 H new ATOM 564 N LEU A 37 2.955 -2.061 -8.687 1.00 0.00 N ATOM 565 CA LEU A 37 2.456 -3.247 -7.997 1.00 0.00 C ATOM 566 C LEU A 37 1.310 -2.913 -7.046 1.00 0.00 C ATOM 567 O LEU A 37 0.320 -3.639 -6.979 1.00 0.00 O ATOM 568 CB LEU A 37 3.591 -3.911 -7.215 1.00 0.00 C ATOM 569 CG LEU A 37 4.037 -5.270 -7.752 1.00 0.00 C ATOM 570 CD1 LEU A 37 5.313 -5.723 -7.059 1.00 0.00 C ATOM 571 CD2 LEU A 37 2.934 -6.301 -7.571 1.00 0.00 C ATOM 0 H LEU A 37 3.787 -1.649 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 37 2.075 -3.931 -8.755 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.450 -3.240 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.275 -4.033 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 37 4.242 -5.171 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.617 -6.693 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.103 -4.994 -7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.135 -5.807 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.268 -7.263 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.698 -6.399 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.044 -5.981 -8.113 1.00 0.00 H new ATOM 583 N VAL A 38 1.445 -1.808 -6.320 1.00 0.00 N ATOM 584 CA VAL A 38 0.421 -1.401 -5.365 1.00 0.00 C ATOM 585 C VAL A 38 -0.866 -1.007 -6.081 1.00 0.00 C ATOM 586 O VAL A 38 -1.965 -1.305 -5.614 1.00 0.00 O ATOM 587 CB VAL A 38 0.899 -0.233 -4.479 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.280 -0.532 -3.918 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.903 1.075 -5.251 1.00 0.00 C ATOM 0 H VAL A 38 2.248 -1.182 -6.374 1.00 0.00 H new ATOM 0 HA VAL A 38 0.225 -2.260 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 38 0.200 -0.125 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.607 0.300 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.240 -1.442 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.984 -0.669 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.244 1.880 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.573 0.991 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.106 1.294 -5.601 1.00 0.00 H new ATOM 599 N TYR A 39 -0.720 -0.334 -7.217 1.00 0.00 N ATOM 600 CA TYR A 39 -1.869 0.095 -8.004 1.00 0.00 C ATOM 601 C TYR A 39 -2.436 -1.072 -8.811 1.00 0.00 C ATOM 602 O TYR A 39 -3.612 -1.077 -9.170 1.00 0.00 O ATOM 603 CB TYR A 39 -1.467 1.250 -8.928 1.00 0.00 C ATOM 604 CG TYR A 39 -1.470 0.907 -10.402 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.378 0.283 -10.991 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.565 1.209 -11.203 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.377 -0.032 -12.337 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.570 0.899 -12.549 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.474 0.278 -13.112 1.00 0.00 C ATOM 610 OH TYR A 39 -1.476 -0.032 -14.452 1.00 0.00 O ATOM 0 H TYR A 39 0.183 -0.074 -7.613 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.648 0.444 -7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.147 2.085 -8.761 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.470 1.591 -8.650 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.484 0.040 -10.388 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.426 1.694 -10.766 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.480 -0.519 -12.779 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.428 1.142 -13.158 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.926 -0.829 -14.604 1.00 0.00 H new ATOM 620 N ALA A 40 -1.586 -2.059 -9.092 1.00 0.00 N ATOM 621 CA ALA A 40 -2.002 -3.232 -9.852 1.00 0.00 C ATOM 622 C ALA A 40 -3.081 -4.009 -9.109 1.00 0.00 C ATOM 623 O ALA A 40 -4.001 -4.553 -9.720 1.00 0.00 O ATOM 624 CB ALA A 40 -0.807 -4.130 -10.135 1.00 0.00 C ATOM 0 H ALA A 40 -0.607 -2.068 -8.804 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.419 -2.891 -10.800 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.133 -5.001 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.065 -3.578 -10.712 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.365 -4.455 -9.193 1.00 0.00 H new ATOM 630 N TRP A 41 -2.961 -4.056 -7.788 1.00 0.00 N ATOM 631 CA TRP A 41 -3.927 -4.762 -6.956 1.00 0.00 C ATOM 632 C TRP A 41 -5.174 -3.913 -6.740 1.00 0.00 C ATOM 633 O TRP A 41 -6.285 -4.436 -6.649 1.00 0.00 O ATOM 634 CB TRP A 41 -3.306 -5.120 -5.604 1.00 0.00 C ATOM 635 CG TRP A 41 -2.275 -6.203 -5.683 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.922 -6.042 -5.759 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.513 -7.615 -5.692 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.304 -7.267 -5.810 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.260 -8.249 -5.772 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.666 -8.404 -5.638 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -1.127 -9.635 -5.800 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.532 -9.780 -5.666 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.271 -10.383 -5.747 1.00 0.00 C ATOM 0 H TRP A 41 -2.203 -3.613 -7.269 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.211 -5.679 -7.472 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.850 -4.227 -5.176 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.097 -5.433 -4.922 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.412 -5.090 -5.776 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.703 -7.421 -5.867 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.643 -7.947 -5.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.155 -10.103 -5.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.415 -10.400 -5.625 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.200 -11.460 -5.768 1.00 0.00 H new ATOM 654 N MET A 42 -4.984 -2.598 -6.664 1.00 0.00 N ATOM 655 CA MET A 42 -6.089 -1.676 -6.446 1.00 0.00 C ATOM 656 C MET A 42 -7.058 -1.669 -7.626 1.00 0.00 C ATOM 657 O MET A 42 -8.275 -1.709 -7.439 1.00 0.00 O ATOM 658 CB MET A 42 -5.552 -0.267 -6.203 1.00 0.00 C ATOM 659 CG MET A 42 -6.552 0.645 -5.520 1.00 0.00 C ATOM 660 SD MET A 42 -7.099 -0.005 -3.931 1.00 0.00 S ATOM 661 CE MET A 42 -8.498 1.058 -3.600 1.00 0.00 C ATOM 0 H MET A 42 -4.072 -2.149 -6.751 1.00 0.00 H new ATOM 0 HA MET A 42 -6.637 -2.014 -5.567 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.651 -0.329 -5.593 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.261 0.173 -7.157 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.103 1.627 -5.373 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.416 0.784 -6.170 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.063 0.664 -2.755 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.144 2.062 -3.364 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.141 1.098 -4.479 1.00 0.00 H new ATOM 671 N ARG A 43 -6.517 -1.619 -8.840 1.00 0.00 N ATOM 672 CA ARG A 43 -7.342 -1.601 -10.045 1.00 0.00 C ATOM 673 C ARG A 43 -8.132 -2.898 -10.194 1.00 0.00 C ATOM 674 O ARG A 43 -9.165 -2.931 -10.861 1.00 0.00 O ATOM 675 CB ARG A 43 -6.471 -1.378 -11.282 1.00 0.00 C ATOM 676 CG ARG A 43 -5.364 -2.408 -11.439 1.00 0.00 C ATOM 677 CD ARG A 43 -4.569 -2.178 -12.713 1.00 0.00 C ATOM 678 NE ARG A 43 -5.364 -2.438 -13.909 1.00 0.00 N ATOM 679 CZ ARG A 43 -4.920 -2.240 -15.147 1.00 0.00 C ATOM 680 NH1 ARG A 43 -3.695 -1.773 -15.349 1.00 0.00 N ATOM 681 NH2 ARG A 43 -5.702 -2.507 -16.184 1.00 0.00 N ATOM 0 H ARG A 43 -5.513 -1.590 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.050 -0.778 -9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.103 -1.398 -12.170 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.027 -0.384 -11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.697 -2.361 -10.578 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.796 -3.409 -11.453 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.208 -1.150 -12.734 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.691 -2.824 -12.714 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.313 -2.791 -13.789 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.091 -1.565 -14.554 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.357 -1.622 -16.299 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.645 -2.865 -16.033 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.360 -2.355 -17.133 1.00 0.00 H new ATOM 695 N ARG A 44 -7.637 -3.961 -9.573 1.00 0.00 N ATOM 696 CA ARG A 44 -8.297 -5.261 -9.637 1.00 0.00 C ATOM 697 C ARG A 44 -9.496 -5.313 -8.695 1.00 0.00 C ATOM 698 O ARG A 44 -10.582 -5.749 -9.078 1.00 0.00 O ATOM 699 CB ARG A 44 -7.303 -6.370 -9.286 1.00 0.00 C ATOM 700 CG ARG A 44 -6.231 -6.581 -10.343 1.00 0.00 C ATOM 701 CD ARG A 44 -5.179 -7.577 -9.883 1.00 0.00 C ATOM 702 NE ARG A 44 -5.759 -8.873 -9.547 1.00 0.00 N ATOM 703 CZ ARG A 44 -5.040 -9.977 -9.359 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.720 -9.940 -9.481 1.00 0.00 N ATOM 705 NH2 ARG A 44 -5.642 -11.117 -9.051 1.00 0.00 N ATOM 0 H ARG A 44 -6.781 -3.950 -9.019 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.658 -5.412 -10.654 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.824 -6.130 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.848 -7.303 -9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.693 -6.938 -11.264 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.754 -5.628 -10.574 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.435 -7.706 -10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.658 -7.177 -9.013 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.772 -8.936 -9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.254 -9.064 -9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.171 -10.787 -9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.657 -11.149 -8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.090 -11.963 -8.907 1.00 0.00 H new ATOM 719 N LEU A 45 -9.284 -4.869 -7.460 1.00 0.00 N ATOM 720 CA LEU A 45 -10.335 -4.857 -6.448 1.00 0.00 C ATOM 721 C LEU A 45 -11.634 -4.250 -6.981 1.00 0.00 C ATOM 722 O LEU A 45 -12.719 -4.581 -6.505 1.00 0.00 O ATOM 723 CB LEU A 45 -9.877 -4.086 -5.212 1.00 0.00 C ATOM 724 CG LEU A 45 -8.570 -4.575 -4.583 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.177 -3.683 -3.415 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.702 -6.022 -4.129 1.00 0.00 C ATOM 0 H LEU A 45 -8.387 -4.510 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.534 -5.894 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.761 -3.036 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.664 -4.137 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.785 -4.523 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.246 -4.044 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.040 -2.661 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.963 -3.704 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.763 -6.351 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.500 -6.100 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.938 -6.652 -4.986 1.00 0.00 H new ATOM 738 N CYS A 46 -11.527 -3.365 -7.969 1.00 0.00 N ATOM 739 CA CYS A 46 -12.706 -2.728 -8.550 1.00 0.00 C ATOM 740 C CYS A 46 -12.654 -2.776 -10.075 1.00 0.00 C ATOM 741 O CYS A 46 -11.697 -2.302 -10.688 1.00 0.00 O ATOM 742 CB CYS A 46 -12.819 -1.277 -8.081 1.00 0.00 C ATOM 743 SG CYS A 46 -14.223 -0.382 -8.783 1.00 0.00 S ATOM 0 H CYS A 46 -10.641 -3.074 -8.382 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.584 -3.279 -8.213 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.900 -1.263 -6.994 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.900 -0.750 -8.339 1.00 0.00 H new ATOM 0 HG CYS A 46 -14.929 0.139 -7.824 1.00 0.00 H new ATOM 749 N GLU A 47 -13.691 -3.348 -10.682 1.00 0.00 N ATOM 750 CA GLU A 47 -13.763 -3.455 -12.136 1.00 0.00 C ATOM 751 C GLU A 47 -13.871 -2.072 -12.766 1.00 0.00 C ATOM 752 O GLU A 47 -13.496 -1.870 -13.921 1.00 0.00 O ATOM 753 CB GLU A 47 -14.958 -4.316 -12.552 1.00 0.00 C ATOM 754 CG GLU A 47 -16.300 -3.739 -12.131 1.00 0.00 C ATOM 755 CD GLU A 47 -17.467 -4.614 -12.550 1.00 0.00 C ATOM 756 OE1 GLU A 47 -17.925 -4.481 -13.704 1.00 0.00 O ATOM 757 OE2 GLU A 47 -17.922 -5.431 -11.722 1.00 0.00 O ATOM 0 H GLU A 47 -14.492 -3.744 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.849 -3.932 -12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.948 -4.438 -13.635 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.847 -5.310 -12.119 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.314 -3.614 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.418 -2.747 -12.568 1.00 0.00 H new ATOM 764 N ARG A 48 -14.388 -1.125 -11.992 1.00 0.00 N ATOM 765 CA ARG A 48 -14.543 0.247 -12.455 1.00 0.00 C ATOM 766 C ARG A 48 -13.516 1.144 -11.776 1.00 0.00 C ATOM 767 O ARG A 48 -13.842 2.225 -11.288 1.00 0.00 O ATOM 768 CB ARG A 48 -15.959 0.752 -12.166 1.00 0.00 C ATOM 769 CG ARG A 48 -17.055 -0.120 -12.759 1.00 0.00 C ATOM 770 CD ARG A 48 -16.926 -0.237 -14.270 1.00 0.00 C ATOM 771 NE ARG A 48 -16.967 1.065 -14.927 1.00 0.00 N ATOM 772 CZ ARG A 48 -16.740 1.244 -16.225 1.00 0.00 C ATOM 773 NH1 ARG A 48 -16.458 0.206 -17.001 1.00 0.00 N ATOM 774 NH2 ARG A 48 -16.795 2.462 -16.748 1.00 0.00 N ATOM 0 H ARG A 48 -14.708 -1.284 -11.037 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.380 0.273 -13.532 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.100 0.813 -11.087 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.061 1.764 -12.558 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.011 -1.113 -12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -18.029 0.300 -12.508 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.989 -0.737 -14.516 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.732 -0.862 -14.655 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.182 1.884 -14.359 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.415 -0.732 -16.602 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.284 0.346 -17.996 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.012 3.263 -16.154 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.621 2.598 -17.744 1.00 0.00 H new ATOM 788 N TYR A 49 -12.269 0.684 -11.758 1.00 0.00 N ATOM 789 CA TYR A 49 -11.186 1.424 -11.131 1.00 0.00 C ATOM 790 C TYR A 49 -10.160 1.871 -12.166 1.00 0.00 C ATOM 791 O TYR A 49 -9.270 1.106 -12.542 1.00 0.00 O ATOM 792 CB TYR A 49 -10.506 0.555 -10.076 1.00 0.00 C ATOM 793 CG TYR A 49 -9.887 1.341 -8.950 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.724 2.074 -9.142 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.467 1.349 -7.692 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.157 2.793 -8.108 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.910 2.065 -6.653 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.755 2.787 -6.865 1.00 0.00 C ATOM 799 OH TYR A 49 -8.195 3.502 -5.832 1.00 0.00 O ATOM 0 H TYR A 49 -11.985 -0.203 -12.174 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.608 2.311 -10.658 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.238 -0.139 -9.663 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.733 -0.045 -10.556 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.255 2.082 -10.115 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.372 0.784 -7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.250 3.357 -8.272 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.376 2.060 -5.679 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.846 3.591 -5.105 1.00 0.00 H new ATOM 809 N ASN A 50 -10.292 3.109 -12.631 1.00 0.00 N ATOM 810 CA ASN A 50 -9.371 3.652 -13.625 1.00 0.00 C ATOM 811 C ASN A 50 -8.002 3.929 -13.009 1.00 0.00 C ATOM 812 O ASN A 50 -6.974 3.531 -13.557 1.00 0.00 O ATOM 813 CB ASN A 50 -9.942 4.938 -14.227 1.00 0.00 C ATOM 814 CG ASN A 50 -11.360 4.763 -14.736 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.693 3.552 -15.170 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -12.151 5.707 -14.737 1.00 0.00 N flip ATOM 0 H ASN A 50 -11.025 3.754 -12.337 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.249 2.910 -14.414 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.925 5.726 -13.474 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.303 5.266 -15.047 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.855 6.621 -14.395 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.102 5.575 -15.080 1.00 0.00 H new ATOM 823 N GLY A 51 -7.996 4.613 -11.867 1.00 0.00 N ATOM 824 CA GLY A 51 -6.748 4.931 -11.198 1.00 0.00 C ATOM 825 C GLY A 51 -6.871 6.129 -10.276 1.00 0.00 C ATOM 826 O GLY A 51 -7.974 6.618 -10.029 1.00 0.00 O ATOM 0 H GLY A 51 -8.834 4.952 -11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.418 4.066 -10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.979 5.129 -11.945 1.00 0.00 H new ATOM 830 N ALA A 52 -5.734 6.606 -9.771 1.00 0.00 N ATOM 831 CA ALA A 52 -5.714 7.755 -8.869 1.00 0.00 C ATOM 832 C ALA A 52 -4.284 8.120 -8.481 1.00 0.00 C ATOM 833 O ALA A 52 -3.328 7.480 -8.923 1.00 0.00 O ATOM 834 CB ALA A 52 -6.539 7.467 -7.624 1.00 0.00 C ATOM 0 H ALA A 52 -4.814 6.214 -9.972 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.153 8.604 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.514 8.333 -6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.570 7.259 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.125 6.602 -7.105 1.00 0.00 H new ATOM 840 N TYR A 53 -4.143 9.152 -7.654 1.00 0.00 N ATOM 841 CA TYR A 53 -2.830 9.597 -7.204 1.00 0.00 C ATOM 842 C TYR A 53 -2.445 8.909 -5.900 1.00 0.00 C ATOM 843 O TYR A 53 -2.839 9.341 -4.816 1.00 0.00 O ATOM 844 CB TYR A 53 -2.814 11.114 -7.024 1.00 0.00 C ATOM 845 CG TYR A 53 -2.599 11.873 -8.313 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.450 11.679 -9.069 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.541 12.785 -8.772 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.245 12.371 -10.246 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.344 13.480 -9.951 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.195 13.270 -10.684 1.00 0.00 C ATOM 851 OH TYR A 53 -1.995 13.962 -11.856 1.00 0.00 O ATOM 0 H TYR A 53 -4.922 9.695 -7.283 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.099 9.326 -7.966 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.758 11.429 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.026 11.380 -6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.704 10.975 -8.730 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.441 12.954 -8.199 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.345 12.209 -10.821 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.087 14.184 -10.296 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.759 14.553 -12.021 1.00 0.00 H new ATOM 861 N TRP A 54 -1.676 7.833 -6.017 1.00 0.00 N ATOM 862 CA TRP A 54 -1.237 7.068 -4.855 1.00 0.00 C ATOM 863 C TRP A 54 -0.075 7.760 -4.143 1.00 0.00 C ATOM 864 O TRP A 54 1.082 7.369 -4.297 1.00 0.00 O ATOM 865 CB TRP A 54 -0.828 5.657 -5.283 1.00 0.00 C ATOM 866 CG TRP A 54 -1.485 5.214 -6.556 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.774 4.788 -6.712 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.886 5.161 -7.856 1.00 0.00 C ATOM 869 NE1 TRP A 54 -3.011 4.473 -8.028 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.867 4.693 -8.750 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.386 5.465 -8.350 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.615 4.522 -10.109 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.635 5.295 -9.699 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.362 4.827 -10.565 1.00 0.00 C ATOM 0 H TRP A 54 -1.342 7.469 -6.909 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.070 7.005 -4.155 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.254 5.621 -5.408 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.080 4.955 -4.488 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.501 4.710 -5.917 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.894 4.131 -8.406 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.160 5.826 -7.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.382 4.161 -10.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.614 5.527 -10.092 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.137 4.705 -11.614 1.00 0.00 H new ATOM 885 N HIS A 55 -0.400 8.801 -3.380 1.00 0.00 N ATOM 886 CA HIS A 55 0.597 9.562 -2.634 1.00 0.00 C ATOM 887 C HIS A 55 1.591 8.639 -1.942 1.00 0.00 C ATOM 888 O HIS A 55 1.214 7.609 -1.381 1.00 0.00 O ATOM 889 CB HIS A 55 -0.086 10.461 -1.602 1.00 0.00 C ATOM 890 CG HIS A 55 -1.057 11.429 -2.202 1.00 0.00 C ATOM 891 ND1 HIS A 55 -0.676 12.632 -2.756 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.403 11.366 -2.336 1.00 0.00 C ATOM 893 CE1 HIS A 55 -1.745 13.269 -3.203 1.00 0.00 C ATOM 894 NE2 HIS A 55 -2.805 12.521 -2.960 1.00 0.00 N ATOM 0 H HIS A 55 -1.355 9.138 -3.262 1.00 0.00 H new ATOM 0 HA HIS A 55 1.145 10.182 -3.344 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.609 9.837 -0.877 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.676 11.016 -1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.042 10.557 -2.012 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.750 14.236 -3.684 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.767 12.762 -3.197 1.00 0.00 H new ATOM 903 N TYR A 56 2.861 9.018 -1.986 1.00 0.00 N ATOM 904 CA TYR A 56 3.917 8.224 -1.369 1.00 0.00 C ATOM 905 C TYR A 56 4.153 8.657 0.071 1.00 0.00 C ATOM 906 O TYR A 56 5.065 9.433 0.359 1.00 0.00 O ATOM 907 CB TYR A 56 5.218 8.349 -2.163 1.00 0.00 C ATOM 908 CG TYR A 56 5.038 8.207 -3.659 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.187 7.244 -4.187 1.00 0.00 C ATOM 910 CD2 TYR A 56 5.719 9.037 -4.541 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.019 7.113 -5.553 1.00 0.00 C ATOM 912 CE2 TYR A 56 5.556 8.912 -5.908 1.00 0.00 C ATOM 913 CZ TYR A 56 4.705 7.949 -6.409 1.00 0.00 C ATOM 914 OH TYR A 56 4.541 7.821 -7.768 1.00 0.00 O ATOM 0 H TYR A 56 3.186 9.870 -2.442 1.00 0.00 H new ATOM 0 HA TYR A 56 3.595 7.183 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.670 9.318 -1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.918 7.589 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.648 6.587 -3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.386 9.792 -4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.354 6.360 -5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.092 9.565 -6.580 1.00 0.00 H new ATOM 0 HH TYR A 56 5.094 8.486 -8.228 1.00 0.00 H new ATOM 924 N TYR A 57 3.317 8.158 0.970 1.00 0.00 N ATOM 925 CA TYR A 57 3.430 8.487 2.385 1.00 0.00 C ATOM 926 C TYR A 57 4.689 7.881 2.989 1.00 0.00 C ATOM 927 O TYR A 57 5.156 6.830 2.554 1.00 0.00 O ATOM 928 CB TYR A 57 2.198 7.998 3.146 1.00 0.00 C ATOM 929 CG TYR A 57 0.985 8.880 2.963 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.749 9.950 3.816 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.078 8.647 1.937 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.355 10.762 3.654 1.00 0.00 C ATOM 933 CE2 TYR A 57 -1.029 9.455 1.768 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.242 10.511 2.627 1.00 0.00 C ATOM 935 OH TYR A 57 -2.344 11.319 2.463 1.00 0.00 O ATOM 0 H TYR A 57 2.551 7.523 0.745 1.00 0.00 H new ATOM 0 HA TYR A 57 3.495 9.572 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.955 6.988 2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.437 7.939 4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.442 10.150 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.241 7.821 1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.524 11.589 4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.725 9.260 0.966 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.866 11.008 1.694 1.00 0.00 H new ATOM 945 N ALA A 58 5.234 8.557 3.995 1.00 0.00 N ATOM 946 CA ALA A 58 6.442 8.093 4.665 1.00 0.00 C ATOM 947 C ALA A 58 6.191 7.861 6.150 1.00 0.00 C ATOM 948 O ALA A 58 5.835 8.783 6.882 1.00 0.00 O ATOM 949 CB ALA A 58 7.568 9.095 4.469 1.00 0.00 C ATOM 0 H ALA A 58 4.857 9.430 4.364 1.00 0.00 H new ATOM 0 HA ALA A 58 6.734 7.142 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.465 8.737 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.772 9.209 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.275 10.058 4.888 1.00 0.00 H new ATOM 955 N LEU A 59 6.380 6.621 6.586 1.00 0.00 N ATOM 956 CA LEU A 59 6.175 6.262 7.984 1.00 0.00 C ATOM 957 C LEU A 59 7.473 6.397 8.777 1.00 0.00 C ATOM 958 O LEU A 59 8.566 6.254 8.228 1.00 0.00 O ATOM 959 CB LEU A 59 5.625 4.839 8.081 1.00 0.00 C ATOM 960 CG LEU A 59 4.105 4.731 7.941 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.706 3.341 7.483 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.423 5.071 9.255 1.00 0.00 C ATOM 0 H LEU A 59 6.675 5.847 5.991 1.00 0.00 H new ATOM 0 HA LEU A 59 5.448 6.949 8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.092 4.230 7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.919 4.415 9.041 1.00 0.00 H new ATOM 0 HG LEU A 59 3.781 5.448 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.621 3.286 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.164 3.131 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.045 2.606 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.343 4.989 9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.757 4.379 10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.680 6.090 9.545 1.00 0.00 H new ATOM 974 N SER A 60 7.342 6.675 10.070 1.00 0.00 N ATOM 975 CA SER A 60 8.500 6.852 10.942 1.00 0.00 C ATOM 976 C SER A 60 9.270 5.549 11.135 1.00 0.00 C ATOM 977 O SER A 60 10.468 5.565 11.421 1.00 0.00 O ATOM 978 CB SER A 60 8.058 7.398 12.301 1.00 0.00 C ATOM 979 OG SER A 60 7.154 6.511 12.938 1.00 0.00 O ATOM 0 H SER A 60 6.443 6.783 10.539 1.00 0.00 H new ATOM 0 HA SER A 60 9.167 7.566 10.459 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.931 7.551 12.936 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.585 8.371 12.169 1.00 0.00 H new ATOM 0 HG SER A 60 6.888 6.882 13.805 1.00 0.00 H new ATOM 985 N ASP A 61 8.584 4.421 10.977 1.00 0.00 N ATOM 986 CA ASP A 61 9.218 3.117 11.145 1.00 0.00 C ATOM 987 C ASP A 61 9.769 2.593 9.822 1.00 0.00 C ATOM 988 O ASP A 61 10.212 1.448 9.736 1.00 0.00 O ATOM 989 CB ASP A 61 8.225 2.117 11.736 1.00 0.00 C ATOM 990 CG ASP A 61 8.027 2.318 13.226 1.00 0.00 C ATOM 991 OD1 ASP A 61 7.690 3.450 13.633 1.00 0.00 O ATOM 992 OD2 ASP A 61 8.219 1.346 13.987 1.00 0.00 O ATOM 0 H ASP A 61 7.594 4.383 10.734 1.00 0.00 H new ATOM 0 HA ASP A 61 10.054 3.238 11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.266 2.216 11.227 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.580 1.103 11.552 1.00 0.00 H new ATOM 997 N GLY A 62 9.743 3.436 8.796 1.00 0.00 N ATOM 998 CA GLY A 62 10.252 3.039 7.497 1.00 0.00 C ATOM 999 C GLY A 62 9.268 2.187 6.718 1.00 0.00 C ATOM 1000 O GLY A 62 9.571 1.735 5.614 1.00 0.00 O ATOM 0 H GLY A 62 9.378 4.388 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.493 3.930 6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.181 2.485 7.629 1.00 0.00 H new ATOM 1004 N GLY A 63 8.091 1.966 7.293 1.00 0.00 N ATOM 1005 CA GLY A 63 7.079 1.169 6.625 1.00 0.00 C ATOM 1006 C GLY A 63 6.219 2.003 5.697 1.00 0.00 C ATOM 1007 O GLY A 63 5.045 1.697 5.489 1.00 0.00 O ATOM 0 H GLY A 63 7.820 2.324 8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.561 0.374 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.446 0.688 7.371 1.00 0.00 H new ATOM 1011 N PHE A 64 6.818 3.055 5.137 1.00 0.00 N ATOM 1012 CA PHE A 64 6.123 3.962 4.225 1.00 0.00 C ATOM 1013 C PHE A 64 5.147 3.214 3.322 1.00 0.00 C ATOM 1014 O PHE A 64 5.409 2.085 2.906 1.00 0.00 O ATOM 1015 CB PHE A 64 7.139 4.721 3.369 1.00 0.00 C ATOM 1016 CG PHE A 64 7.925 3.834 2.446 1.00 0.00 C ATOM 1017 CD1 PHE A 64 8.973 3.067 2.928 1.00 0.00 C ATOM 1018 CD2 PHE A 64 7.613 3.766 1.098 1.00 0.00 C ATOM 1019 CE1 PHE A 64 9.695 2.247 2.082 1.00 0.00 C ATOM 1020 CE2 PHE A 64 8.333 2.949 0.247 1.00 0.00 C ATOM 1021 CZ PHE A 64 9.375 2.189 0.740 1.00 0.00 C ATOM 0 H PHE A 64 7.794 3.301 5.302 1.00 0.00 H new ATOM 0 HA PHE A 64 5.551 4.666 4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.615 5.473 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.829 5.253 4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.229 3.110 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.798 4.358 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.509 1.652 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.081 2.905 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.939 1.550 0.077 1.00 0.00 H new ATOM 1031 N TYR A 65 4.022 3.854 3.020 1.00 0.00 N ATOM 1032 CA TYR A 65 3.007 3.245 2.168 1.00 0.00 C ATOM 1033 C TYR A 65 2.485 4.235 1.127 1.00 0.00 C ATOM 1034 O TYR A 65 2.892 5.396 1.096 1.00 0.00 O ATOM 1035 CB TYR A 65 1.853 2.715 3.023 1.00 0.00 C ATOM 1036 CG TYR A 65 0.835 3.767 3.407 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.088 4.673 4.431 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.380 3.851 2.742 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.157 5.633 4.779 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.316 4.808 3.084 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.043 5.697 4.103 1.00 0.00 C ATOM 1042 OH TYR A 65 -1.972 6.651 4.446 1.00 0.00 O ATOM 0 H TYR A 65 3.791 4.791 3.351 1.00 0.00 H new ATOM 0 HA TYR A 65 3.469 2.414 1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.348 1.918 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.262 2.271 3.931 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.027 4.626 4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.598 3.157 1.944 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.368 6.330 5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.257 4.860 2.556 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.761 6.560 3.872 1.00 0.00 H new ATOM 1052 N MET A 66 1.579 3.759 0.274 1.00 0.00 N ATOM 1053 CA MET A 66 0.990 4.586 -0.779 1.00 0.00 C ATOM 1054 C MET A 66 -0.533 4.528 -0.720 1.00 0.00 C ATOM 1055 O MET A 66 -1.115 3.458 -0.546 1.00 0.00 O ATOM 1056 CB MET A 66 1.471 4.114 -2.152 1.00 0.00 C ATOM 1057 CG MET A 66 2.979 4.178 -2.328 1.00 0.00 C ATOM 1058 SD MET A 66 3.559 3.202 -3.732 1.00 0.00 S ATOM 1059 CE MET A 66 2.602 3.912 -5.071 1.00 0.00 C ATOM 0 H MET A 66 1.235 2.799 0.292 1.00 0.00 H new ATOM 0 HA MET A 66 1.308 5.617 -0.622 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.139 3.088 -2.310 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.998 4.724 -2.922 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.281 5.217 -2.463 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.462 3.821 -1.418 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.159 3.823 -6.004 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.654 3.381 -5.162 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.410 4.964 -4.863 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.173 5.684 -0.867 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.630 5.758 -0.832 1.00 0.00 C ATOM 1071 C ALA A 67 -3.172 6.604 -1.983 1.00 0.00 C ATOM 1072 O ALA A 67 -2.785 7.762 -2.144 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.095 6.323 0.500 1.00 0.00 C ATOM 0 H ALA A 67 -0.707 6.580 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.020 4.747 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.184 6.373 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.751 5.678 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.684 7.324 0.634 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.076 6.033 -2.799 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.676 6.744 -3.935 1.00 0.00 C ATOM 1081 C PRO A 68 -5.409 8.006 -3.495 1.00 0.00 C ATOM 1082 O PRO A 68 -5.792 8.138 -2.332 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.664 5.728 -4.521 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.190 4.403 -4.033 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.583 4.655 -2.684 1.00 0.00 C ATOM 0 HA PRO A 68 -3.924 7.079 -4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.682 5.930 -4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.671 5.768 -5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.015 3.694 -3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.458 3.974 -4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.320 4.562 -1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.783 3.948 -2.463 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.601 8.934 -4.428 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.282 10.187 -4.125 1.00 0.00 C ATOM 1095 C ASP A 69 -7.709 10.192 -4.670 1.00 0.00 C ATOM 1096 O ASP A 69 -7.964 10.694 -5.764 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.499 11.367 -4.705 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.108 12.704 -4.334 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.749 13.245 -3.267 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -6.943 13.213 -5.112 1.00 0.00 O ATOM 0 H ASP A 69 -5.295 8.842 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.333 10.285 -3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.470 11.328 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.462 11.276 -5.791 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.633 9.623 -3.901 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.036 9.575 -4.302 1.00 0.00 C ATOM 1107 C LEU A 70 -10.944 9.978 -3.145 1.00 0.00 C ATOM 1108 O LEU A 70 -11.145 9.211 -2.204 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.408 8.176 -4.795 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.658 7.708 -6.044 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -9.916 6.230 -6.298 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -10.065 8.538 -7.253 1.00 0.00 C ATOM 0 H LEU A 70 -8.436 9.190 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.176 10.284 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.224 7.463 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.478 8.153 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.590 7.846 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.375 5.914 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.574 5.649 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.984 6.067 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.522 8.191 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.136 8.432 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.829 9.586 -7.071 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.489 11.188 -3.222 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.375 11.696 -2.183 1.00 0.00 C ATOM 1126 C ALA A 71 -13.725 10.991 -2.214 1.00 0.00 C ATOM 1127 O ALA A 71 -14.162 10.506 -3.259 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.559 13.198 -2.337 1.00 0.00 C ATOM 0 H ALA A 71 -11.332 11.835 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.913 11.492 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.223 13.565 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.592 13.693 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.994 13.413 -3.313 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.382 10.937 -1.060 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.680 10.292 -0.971 1.00 0.00 C ATOM 1136 C GLY A 72 -15.579 8.818 -0.626 1.00 0.00 C ATOM 1137 O GLY A 72 -14.652 8.397 0.066 1.00 0.00 O ATOM 0 H GLY A 72 -14.038 11.329 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.281 10.797 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.203 10.404 -1.921 1.00 0.00 H new ATOM 1141 N ARG A 73 -16.538 8.035 -1.111 1.00 0.00 N ATOM 1142 CA ARG A 73 -16.568 6.606 -0.855 1.00 0.00 C ATOM 1143 C ARG A 73 -16.713 5.832 -2.158 1.00 0.00 C ATOM 1144 O ARG A 73 -17.496 6.202 -3.034 1.00 0.00 O ATOM 1145 CB ARG A 73 -17.718 6.267 0.095 1.00 0.00 C ATOM 1146 CG ARG A 73 -19.084 6.666 -0.439 1.00 0.00 C ATOM 1147 CD ARG A 73 -20.068 6.931 0.689 1.00 0.00 C ATOM 1148 NE ARG A 73 -19.677 8.089 1.490 1.00 0.00 N ATOM 1149 CZ ARG A 73 -20.474 8.677 2.377 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -21.699 8.212 2.585 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -20.046 9.729 3.060 1.00 0.00 N ATOM 0 H ARG A 73 -17.308 8.373 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.627 6.317 -0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -17.713 5.195 0.291 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.550 6.766 1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.988 7.559 -1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.470 5.875 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.062 7.096 0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.132 6.051 1.329 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.739 8.468 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.032 7.401 2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.308 8.665 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.104 10.089 2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.659 10.179 3.740 1.00 0.00 H new ATOM 1165 N LEU A 74 -15.950 4.758 -2.275 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.974 3.920 -3.468 1.00 0.00 C ATOM 1167 C LEU A 74 -16.159 2.451 -3.100 1.00 0.00 C ATOM 1168 O LEU A 74 -15.791 2.024 -2.006 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.682 4.095 -4.266 1.00 0.00 C ATOM 1170 CG LEU A 74 -14.178 5.536 -4.377 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -13.330 5.899 -3.168 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.387 5.727 -5.661 1.00 0.00 C ATOM 0 H LEU A 74 -15.301 4.442 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.819 4.232 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.903 3.489 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.838 3.702 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 74 -15.041 6.201 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -12.980 6.927 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.928 5.802 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.473 5.228 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.037 6.757 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.531 5.052 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.025 5.509 -6.517 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.731 1.682 -4.022 1.00 0.00 N ATOM 1185 CA GLU A 75 -16.962 0.259 -3.800 1.00 0.00 C ATOM 1186 C GLU A 75 -15.779 -0.570 -4.289 1.00 0.00 C ATOM 1187 O GLU A 75 -15.614 -0.798 -5.487 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.253 -0.191 -4.491 1.00 0.00 C ATOM 1189 CG GLU A 75 -18.626 0.637 -5.713 1.00 0.00 C ATOM 1190 CD GLU A 75 -17.612 0.525 -6.834 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -17.740 -0.406 -7.659 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -16.692 1.367 -6.890 1.00 0.00 O ATOM 0 H GLU A 75 -17.043 2.022 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.068 0.098 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.147 -1.234 -4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.071 -0.147 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.601 0.316 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -18.723 1.683 -5.421 1.00 0.00 H new ATOM 1199 N ILE A 76 -14.956 -1.018 -3.347 1.00 0.00 N ATOM 1200 CA ILE A 76 -13.783 -1.820 -3.669 1.00 0.00 C ATOM 1201 C ILE A 76 -13.960 -3.266 -3.210 1.00 0.00 C ATOM 1202 O ILE A 76 -13.997 -3.552 -2.012 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.508 -1.210 -3.040 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -11.854 -0.227 -4.020 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.519 -2.293 -2.626 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.104 -0.897 -5.151 1.00 0.00 C ATOM 0 H ILE A 76 -15.081 -0.838 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.670 -1.818 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.800 -0.670 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.625 0.419 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.165 0.415 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.635 -1.830 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.985 -2.951 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.228 -2.874 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.670 -0.137 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.309 -1.521 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.791 -1.517 -5.727 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.088 -4.170 -4.175 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.253 -5.587 -3.880 1.00 0.00 C ATOM 1220 C GLU A 77 -12.893 -6.248 -3.693 1.00 0.00 C ATOM 1221 O GLU A 77 -12.031 -6.170 -4.563 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.024 -6.281 -5.003 1.00 0.00 C ATOM 1223 CG GLU A 77 -16.368 -5.639 -5.305 1.00 0.00 C ATOM 1224 CD GLU A 77 -17.099 -6.325 -6.444 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -17.828 -7.303 -6.178 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -16.943 -5.881 -7.601 1.00 0.00 O ATOM 0 H GLU A 77 -14.081 -3.945 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.822 -5.683 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.416 -6.274 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.182 -7.325 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.989 -5.667 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.217 -4.589 -5.555 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.713 -6.909 -2.559 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.456 -7.559 -2.253 1.00 0.00 C ATOM 1235 C VAL A 78 -11.532 -9.055 -2.538 1.00 0.00 C ATOM 1236 O VAL A 78 -12.040 -9.819 -1.721 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.095 -7.335 -0.778 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -9.654 -7.697 -0.527 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.361 -5.893 -0.373 1.00 0.00 C ATOM 0 H VAL A 78 -13.426 -7.007 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.685 -7.123 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.725 -7.983 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.415 -7.532 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.494 -8.746 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.009 -7.075 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.099 -5.755 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.758 -5.225 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.417 -5.664 -0.516 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.028 -9.473 -3.700 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.058 -10.884 -4.079 1.00 0.00 C ATOM 1251 C ASN A 79 -10.032 -11.692 -3.290 1.00 0.00 C ATOM 1252 O ASN A 79 -10.288 -12.839 -2.921 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.786 -11.035 -5.576 1.00 0.00 C ATOM 1254 CG ASN A 79 -11.459 -9.955 -6.397 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -10.755 -8.849 -6.604 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -12.598 -10.110 -6.840 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.597 -8.858 -4.390 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.051 -11.269 -3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.711 -11.004 -5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.136 -12.012 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.103 -10.977 -6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.036 -9.371 -7.390 1.00 0.00 H new ATOM 1263 N GLY A 80 -8.866 -11.092 -3.053 1.00 0.00 N ATOM 1264 CA GLY A 80 -7.812 -11.764 -2.306 1.00 0.00 C ATOM 1265 C GLY A 80 -8.324 -12.472 -1.065 1.00 0.00 C ATOM 1266 O GLY A 80 -7.678 -13.385 -0.550 1.00 0.00 O ATOM 0 H GLY A 80 -8.632 -10.150 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.320 -12.489 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.057 -11.033 -2.015 1.00 0.00 H new ATOM 1270 N ASN A 81 -9.486 -12.046 -0.585 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.097 -12.641 0.596 1.00 0.00 C ATOM 1272 C ASN A 81 -11.617 -12.666 0.465 1.00 0.00 C ATOM 1273 O ASN A 81 -12.327 -13.015 1.408 1.00 0.00 O ATOM 1274 CB ASN A 81 -9.683 -11.880 1.855 1.00 0.00 C ATOM 1275 CG ASN A 81 -9.380 -10.422 1.580 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.561 -10.097 0.721 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.036 -9.535 2.314 1.00 0.00 N ATOM 0 H ASN A 81 -10.026 -11.286 -0.999 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.744 -13.669 0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.480 -11.948 2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.803 -12.355 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.870 -8.538 2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.707 -9.849 3.015 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.106 -12.295 -0.714 1.00 0.00 N ATOM 1285 CA GLY A 82 -13.536 -12.291 -0.967 1.00 0.00 C ATOM 1286 C GLY A 82 -14.286 -11.268 -0.138 1.00 0.00 C ATOM 1287 O GLY A 82 -15.514 -11.315 -0.058 1.00 0.00 O ATOM 0 H GLY A 82 -11.534 -11.995 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.711 -12.091 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.938 -13.283 -0.759 1.00 0.00 H new ATOM 1291 N PHE A 83 -13.559 -10.344 0.482 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.186 -9.320 1.306 1.00 0.00 C ATOM 1293 C PHE A 83 -14.692 -8.158 0.462 1.00 0.00 C ATOM 1294 O PHE A 83 -13.943 -7.236 0.141 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.205 -8.808 2.363 1.00 0.00 C ATOM 1296 CG PHE A 83 -13.729 -7.640 3.149 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -14.845 -7.778 3.960 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.107 -6.404 3.075 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.330 -6.704 4.681 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -13.588 -5.327 3.795 1.00 0.00 C ATOM 1301 CZ PHE A 83 -14.701 -5.476 4.599 1.00 0.00 C ATOM 0 H PHE A 83 -12.542 -10.284 0.430 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.042 -9.777 1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.966 -9.620 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.274 -8.519 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.340 -8.735 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.237 -6.281 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.201 -6.824 5.309 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.094 -4.369 3.729 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.079 -4.635 5.162 1.00 0.00 H new ATOM 1311 N ARG A 84 -15.967 -8.210 0.100 1.00 0.00 N ATOM 1312 CA ARG A 84 -16.575 -7.147 -0.686 1.00 0.00 C ATOM 1313 C ARG A 84 -16.985 -6.008 0.237 1.00 0.00 C ATOM 1314 O ARG A 84 -17.911 -6.152 1.035 1.00 0.00 O ATOM 1315 CB ARG A 84 -17.795 -7.672 -1.445 1.00 0.00 C ATOM 1316 CG ARG A 84 -18.375 -6.674 -2.434 1.00 0.00 C ATOM 1317 CD ARG A 84 -19.691 -7.165 -3.014 1.00 0.00 C ATOM 1318 NE ARG A 84 -20.741 -7.237 -2.002 1.00 0.00 N ATOM 1319 CZ ARG A 84 -21.963 -7.706 -2.236 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.286 -8.154 -3.443 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -22.863 -7.731 -1.263 1.00 0.00 N ATOM 0 H ARG A 84 -16.598 -8.975 0.338 1.00 0.00 H new ATOM 0 HA ARG A 84 -15.849 -6.783 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.516 -8.580 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.567 -7.949 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.530 -5.716 -1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.662 -6.503 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.005 -6.497 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -19.547 -8.150 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.525 -6.908 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -21.596 -8.139 -4.194 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -23.224 -8.513 -3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -22.619 -7.390 -0.333 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.800 -8.091 -1.444 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.297 -4.877 0.130 1.00 0.00 N ATOM 1336 CA GLY A 85 -16.620 -3.754 0.995 1.00 0.00 C ATOM 1337 C GLY A 85 -16.159 -2.416 0.457 1.00 0.00 C ATOM 1338 O GLY A 85 -15.022 -2.275 0.006 1.00 0.00 O ATOM 0 H GLY A 85 -15.534 -4.717 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.699 -3.722 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.166 -3.918 1.972 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.049 -1.430 0.512 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.733 -0.085 0.047 1.00 0.00 C ATOM 1344 C GLU A 86 -15.818 0.607 1.051 1.00 0.00 C ATOM 1345 O GLU A 86 -16.019 0.496 2.260 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.013 0.731 -0.138 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.062 0.040 -0.994 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.310 0.881 -1.180 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -20.345 1.685 -2.136 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -21.249 0.737 -0.370 1.00 0.00 O ATOM 0 H GLU A 86 -17.996 -1.538 0.875 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.224 -0.158 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.441 0.946 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.760 1.689 -0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.635 -0.190 -1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.334 -0.910 -0.533 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.816 1.319 0.552 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.877 2.012 1.425 1.00 0.00 C ATOM 1359 C LEU A 87 -13.189 3.158 0.691 1.00 0.00 C ATOM 1360 O LEU A 87 -13.044 3.130 -0.531 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.836 1.023 1.956 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.995 1.525 3.132 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.887 1.920 4.299 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -11.000 0.456 3.559 1.00 0.00 C ATOM 0 H LEU A 87 -14.633 1.432 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.433 2.434 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.349 0.111 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.165 0.754 1.140 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.443 2.408 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.270 2.274 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.565 2.714 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.466 1.055 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.407 0.824 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.538 -0.442 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.341 0.219 2.724 1.00 0.00 H new ATOM 1376 N SER A 88 -12.768 4.166 1.449 1.00 0.00 N ATOM 1377 CA SER A 88 -12.096 5.326 0.876 1.00 0.00 C ATOM 1378 C SER A 88 -10.706 4.952 0.375 1.00 0.00 C ATOM 1379 O SER A 88 -10.093 4.006 0.869 1.00 0.00 O ATOM 1380 CB SER A 88 -11.995 6.447 1.911 1.00 0.00 C ATOM 1381 OG SER A 88 -11.299 6.012 3.067 1.00 0.00 O ATOM 0 H SER A 88 -12.881 4.202 2.462 1.00 0.00 H new ATOM 0 HA SER A 88 -12.686 5.678 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.482 7.304 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.995 6.781 2.189 1.00 0.00 H new ATOM 0 HG SER A 88 -11.246 6.747 3.713 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.212 5.703 -0.605 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.894 5.448 -1.177 1.00 0.00 C ATOM 1389 C ALA A 89 -7.799 5.541 -0.120 1.00 0.00 C ATOM 1390 O ALA A 89 -6.660 5.140 -0.359 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.615 6.421 -2.308 1.00 0.00 C ATOM 0 H ALA A 89 -10.705 6.494 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.893 4.432 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.629 6.220 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.370 6.301 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.646 7.441 -1.926 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.147 6.070 1.048 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.191 6.207 2.135 1.00 0.00 C ATOM 1399 C ASP A 90 -7.063 4.893 2.892 1.00 0.00 C ATOM 1400 O ASP A 90 -5.980 4.322 2.980 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.622 7.323 3.090 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.628 7.540 4.213 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -6.767 6.879 5.264 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -5.710 8.368 4.042 1.00 0.00 O ATOM 0 H ASP A 90 -9.084 6.410 1.264 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.221 6.466 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.741 8.251 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.596 7.079 3.513 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.181 4.416 3.432 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.194 3.164 4.179 1.00 0.00 C ATOM 1411 C ALA A 91 -8.108 1.965 3.242 1.00 0.00 C ATOM 1412 O ALA A 91 -7.907 0.834 3.684 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.445 3.075 5.044 1.00 0.00 C ATOM 0 H ALA A 91 -9.088 4.878 3.366 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.318 3.148 4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.440 2.135 5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.461 3.908 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.330 3.119 4.409 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.259 2.216 1.944 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.190 1.155 0.948 1.00 0.00 C ATOM 1421 C ALA A 92 -6.782 1.058 0.383 1.00 0.00 C ATOM 1422 O ALA A 92 -6.286 -0.034 0.107 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.197 1.395 -0.165 1.00 0.00 C ATOM 0 H ALA A 92 -8.430 3.145 1.559 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.439 0.210 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.128 0.591 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.203 1.419 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.983 2.347 -0.650 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.143 2.213 0.210 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.789 2.235 -0.303 1.00 0.00 C ATOM 1431 C GLY A 93 -3.860 1.431 0.579 1.00 0.00 C ATOM 1432 O GLY A 93 -2.785 1.012 0.150 1.00 0.00 O ATOM 0 H GLY A 93 -6.540 3.130 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.774 1.832 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.437 3.265 -0.365 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.288 1.218 1.820 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.509 0.446 2.777 1.00 0.00 C ATOM 1438 C ILE A 94 -3.422 -1.004 2.323 1.00 0.00 C ATOM 1439 O ILE A 94 -2.382 -1.649 2.442 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.135 0.487 4.189 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.781 1.849 4.467 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.084 0.170 5.243 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.832 3.019 4.338 1.00 0.00 C ATOM 0 H ILE A 94 -5.173 1.571 2.185 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.515 0.891 2.824 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.917 -0.271 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.613 1.992 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.198 1.843 5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.540 0.203 6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.677 -0.825 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.281 0.905 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.366 3.945 4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.012 2.902 5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.433 3.054 3.324 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.535 -1.501 1.795 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.621 -2.870 1.307 1.00 0.00 C ATOM 1457 C VAL A 95 -3.983 -3.005 -0.073 1.00 0.00 C ATOM 1458 O VAL A 95 -3.474 -4.067 -0.430 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.091 -3.330 1.229 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.182 -4.777 0.775 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.783 -3.138 2.570 1.00 0.00 C ATOM 0 H VAL A 95 -5.399 -0.968 1.694 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.079 -3.500 2.012 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.603 -2.714 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.228 -5.078 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.730 -4.878 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.652 -5.414 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.819 -3.468 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.269 -3.724 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.757 -2.084 2.845 1.00 0.00 H new ATOM 1471 N ALA A 96 -4.005 -1.921 -0.843 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.438 -1.923 -2.187 1.00 0.00 C ATOM 1473 C ALA A 96 -1.919 -2.071 -2.158 1.00 0.00 C ATOM 1474 O ALA A 96 -1.351 -2.879 -2.894 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.830 -0.652 -2.924 1.00 0.00 C ATOM 0 H ALA A 96 -4.410 -1.029 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.844 -2.785 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.401 -0.665 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.916 -0.593 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.454 0.215 -2.380 1.00 0.00 H new ATOM 1481 N THR A 97 -1.264 -1.289 -1.305 1.00 0.00 N ATOM 1482 CA THR A 97 0.189 -1.337 -1.187 1.00 0.00 C ATOM 1483 C THR A 97 0.647 -2.609 -0.480 1.00 0.00 C ATOM 1484 O THR A 97 1.623 -3.239 -0.888 1.00 0.00 O ATOM 1485 CB THR A 97 0.734 -0.111 -0.430 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.144 -0.252 -0.215 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.027 0.060 0.906 1.00 0.00 C ATOM 0 H THR A 97 -1.716 -0.616 -0.686 1.00 0.00 H new ATOM 0 HA THR A 97 0.586 -1.331 -2.202 1.00 0.00 H new ATOM 0 HB THR A 97 0.547 0.774 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.482 0.533 0.265 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.429 0.932 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.041 0.199 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.185 -0.828 1.518 1.00 0.00 H new ATOM 1495 N LEU A 98 -0.061 -2.977 0.584 1.00 0.00 N ATOM 1496 CA LEU A 98 0.272 -4.179 1.345 1.00 0.00 C ATOM 1497 C LEU A 98 0.321 -5.411 0.443 1.00 0.00 C ATOM 1498 O LEU A 98 1.293 -6.167 0.467 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.740 -4.400 2.473 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.502 -3.560 3.730 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.646 -3.741 4.715 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.825 -3.931 4.377 1.00 0.00 C ATOM 0 H LEU A 98 -0.867 -2.462 0.939 1.00 0.00 H new ATOM 0 HA LEU A 98 1.261 -4.031 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.738 -4.183 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.727 -5.454 2.751 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.460 -2.510 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.461 -3.137 5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.580 -3.426 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.719 -4.791 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.977 -3.324 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.813 -4.985 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.637 -3.750 3.672 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.731 -5.610 -0.348 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.798 -6.753 -1.256 1.00 0.00 C ATOM 1516 C PHE A 99 0.406 -6.781 -2.190 1.00 0.00 C ATOM 1517 O PHE A 99 0.816 -7.842 -2.660 1.00 0.00 O ATOM 1518 CB PHE A 99 -2.093 -6.714 -2.069 1.00 0.00 C ATOM 1519 CG PHE A 99 -3.190 -7.558 -1.486 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -4.007 -7.065 -0.481 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.402 -8.849 -1.944 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -5.013 -7.845 0.056 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.409 -9.632 -1.412 1.00 0.00 C ATOM 1524 CZ PHE A 99 -5.215 -9.129 -0.410 1.00 0.00 C ATOM 0 H PHE A 99 -1.546 -4.997 -0.379 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.786 -7.662 -0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.437 -5.682 -2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.886 -7.052 -3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.856 -6.061 -0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.773 -9.248 -2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.642 -7.450 0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.565 -10.636 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.002 -9.739 0.008 1.00 0.00 H new ATOM 1534 N ALA A 100 0.969 -5.607 -2.453 1.00 0.00 N ATOM 1535 CA ALA A 100 2.133 -5.497 -3.324 1.00 0.00 C ATOM 1536 C ALA A 100 3.383 -6.013 -2.619 1.00 0.00 C ATOM 1537 O ALA A 100 4.252 -6.624 -3.240 1.00 0.00 O ATOM 1538 CB ALA A 100 2.330 -4.055 -3.767 1.00 0.00 C ATOM 0 H ALA A 100 0.638 -4.719 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 100 1.960 -6.111 -4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.203 -3.990 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.447 -3.717 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.481 -3.423 -2.892 1.00 0.00 H new ATOM 1544 N LEU A 101 3.464 -5.758 -1.317 1.00 0.00 N ATOM 1545 CA LEU A 101 4.601 -6.196 -0.515 1.00 0.00 C ATOM 1546 C LEU A 101 4.689 -7.719 -0.465 1.00 0.00 C ATOM 1547 O LEU A 101 5.765 -8.294 -0.626 1.00 0.00 O ATOM 1548 CB LEU A 101 4.488 -5.641 0.908 1.00 0.00 C ATOM 1549 CG LEU A 101 4.404 -4.116 1.011 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.122 -3.693 2.446 1.00 0.00 C ATOM 1551 CD2 LEU A 101 5.687 -3.474 0.505 1.00 0.00 C ATOM 0 H LEU A 101 2.753 -5.248 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 101 5.508 -5.814 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.603 -6.070 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.350 -5.980 1.482 1.00 0.00 H new ATOM 0 HG LEU A 101 3.581 -3.774 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.066 -2.606 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.175 -4.122 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.923 -4.048 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.608 -2.390 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.529 -3.822 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.845 -3.749 -0.538 1.00 0.00 H new ATOM 1563 N GLY A 102 3.549 -8.365 -0.240 1.00 0.00 N ATOM 1564 CA GLY A 102 3.513 -9.814 -0.156 1.00 0.00 C ATOM 1565 C GLY A 102 3.939 -10.506 -1.439 1.00 0.00 C ATOM 1566 O GLY A 102 4.563 -11.567 -1.395 1.00 0.00 O ATOM 0 H GLY A 102 2.646 -7.908 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.163 -10.139 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.502 -10.130 0.099 1.00 0.00 H new ATOM 1570 N GLN A 103 3.607 -9.913 -2.581 1.00 0.00 N ATOM 1571 CA GLN A 103 3.958 -10.504 -3.870 1.00 0.00 C ATOM 1572 C GLN A 103 5.409 -10.210 -4.239 1.00 0.00 C ATOM 1573 O GLN A 103 6.141 -11.101 -4.670 1.00 0.00 O ATOM 1574 CB GLN A 103 3.028 -9.990 -4.971 1.00 0.00 C ATOM 1575 CG GLN A 103 3.324 -10.587 -6.339 1.00 0.00 C ATOM 1576 CD GLN A 103 2.275 -10.234 -7.377 1.00 0.00 C ATOM 1577 OE1 GLN A 103 1.677 -9.057 -7.238 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 2.010 -11.009 -8.295 1.00 0.00 N flip ATOM 0 H GLN A 103 3.099 -9.030 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 103 3.839 -11.584 -3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.997 -10.215 -4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.112 -8.905 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.298 -10.236 -6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.389 -11.671 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.495 -11.904 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.306 -10.757 -8.988 1.00 0.00 H new ATOM 1587 N LEU A 104 5.820 -8.959 -4.068 1.00 0.00 N ATOM 1588 CA LEU A 104 7.176 -8.549 -4.385 1.00 0.00 C ATOM 1589 C LEU A 104 8.188 -9.306 -3.532 1.00 0.00 C ATOM 1590 O LEU A 104 9.294 -9.606 -3.982 1.00 0.00 O ATOM 1591 CB LEU A 104 7.323 -7.046 -4.163 1.00 0.00 C ATOM 1592 CG LEU A 104 8.615 -6.443 -4.700 1.00 0.00 C ATOM 1593 CD1 LEU A 104 8.702 -6.639 -6.206 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.704 -4.970 -4.342 1.00 0.00 C ATOM 0 H LEU A 104 5.228 -8.210 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 104 7.373 -8.782 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.480 -6.540 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.261 -6.843 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 104 9.458 -6.956 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.630 -6.203 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.684 -7.704 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.854 -6.150 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.633 -4.556 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.858 -4.438 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.685 -4.857 -3.258 1.00 0.00 H new ATOM 1606 N ALA A 105 7.800 -9.610 -2.299 1.00 0.00 N ATOM 1607 CA ALA A 105 8.670 -10.332 -1.378 1.00 0.00 C ATOM 1608 C ALA A 105 8.824 -11.791 -1.797 1.00 0.00 C ATOM 1609 O ALA A 105 9.886 -12.389 -1.621 1.00 0.00 O ATOM 1610 CB ALA A 105 8.123 -10.246 0.038 1.00 0.00 C ATOM 0 H ALA A 105 6.887 -9.367 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 105 9.655 -9.866 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.781 -10.789 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.068 -9.201 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.126 -10.686 0.070 1.00 0.00 H new ATOM 1616 N ALA A 106 7.757 -12.358 -2.353 1.00 0.00 N ATOM 1617 CA ALA A 106 7.768 -13.749 -2.793 1.00 0.00 C ATOM 1618 C ALA A 106 8.542 -13.912 -4.097 1.00 0.00 C ATOM 1619 O ALA A 106 9.166 -14.945 -4.334 1.00 0.00 O ATOM 1620 CB ALA A 106 6.345 -14.262 -2.956 1.00 0.00 C ATOM 0 H ALA A 106 6.873 -11.874 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 106 8.272 -14.339 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.368 -15.301 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.822 -14.195 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.823 -13.658 -3.699 1.00 0.00 H new ATOM 1626 N GLU A 107 8.495 -12.884 -4.939 1.00 0.00 N ATOM 1627 CA GLU A 107 9.189 -12.907 -6.216 1.00 0.00 C ATOM 1628 C GLU A 107 10.688 -13.104 -6.019 1.00 0.00 C ATOM 1629 O GLU A 107 11.392 -13.544 -6.929 1.00 0.00 O ATOM 1630 CB GLU A 107 8.923 -11.606 -6.971 1.00 0.00 C ATOM 1631 CG GLU A 107 7.500 -11.487 -7.495 1.00 0.00 C ATOM 1632 CD GLU A 107 7.270 -10.201 -8.265 1.00 0.00 C ATOM 1633 OE1 GLU A 107 7.530 -10.187 -9.487 1.00 0.00 O ATOM 1634 OE2 GLU A 107 6.827 -9.210 -7.648 1.00 0.00 O ATOM 0 H GLU A 107 7.980 -12.023 -4.756 1.00 0.00 H new ATOM 0 HA GLU A 107 8.812 -13.747 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.130 -10.764 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.617 -11.533 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.282 -12.337 -8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.803 -11.535 -6.658 1.00 0.00 H new ATOM 1641 N ILE A 108 11.169 -12.776 -4.825 1.00 0.00 N ATOM 1642 CA ILE A 108 12.584 -12.918 -4.501 1.00 0.00 C ATOM 1643 C ILE A 108 12.771 -13.674 -3.190 1.00 0.00 C ATOM 1644 O ILE A 108 13.796 -13.533 -2.522 1.00 0.00 O ATOM 1645 CB ILE A 108 13.277 -11.545 -4.396 1.00 0.00 C ATOM 1646 CG1 ILE A 108 12.535 -10.650 -3.400 1.00 0.00 C ATOM 1647 CG2 ILE A 108 13.350 -10.884 -5.764 1.00 0.00 C ATOM 1648 CD1 ILE A 108 13.226 -9.330 -3.137 1.00 0.00 C ATOM 0 H ILE A 108 10.598 -12.409 -4.063 1.00 0.00 H new ATOM 0 HA ILE A 108 13.042 -13.484 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 108 14.294 -11.692 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.531 -10.456 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.423 -11.186 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.842 -9.915 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.918 -11.518 -6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.342 -10.744 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.642 -8.750 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 108 14.220 -9.514 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.314 -8.773 -4.070 1.00 0.00 H new ATOM 1660 N ALA A 109 11.778 -14.487 -2.837 1.00 0.00 N ATOM 1661 CA ALA A 109 11.821 -15.269 -1.604 1.00 0.00 C ATOM 1662 C ALA A 109 13.098 -16.097 -1.512 1.00 0.00 C ATOM 1663 O ALA A 109 13.522 -16.482 -0.421 1.00 0.00 O ATOM 1664 CB ALA A 109 10.600 -16.173 -1.514 1.00 0.00 C ATOM 0 H ALA A 109 10.931 -14.622 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 109 11.814 -14.573 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.643 -16.751 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.696 -15.565 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.586 -16.852 -2.367 1.00 0.00 H new ATOM 1670 N ASP A 110 13.710 -16.367 -2.661 1.00 0.00 N ATOM 1671 CA ASP A 110 14.941 -17.148 -2.706 1.00 0.00 C ATOM 1672 C ASP A 110 16.155 -16.265 -2.429 1.00 0.00 C ATOM 1673 O ASP A 110 17.278 -16.604 -2.799 1.00 0.00 O ATOM 1674 CB ASP A 110 15.090 -17.822 -4.071 1.00 0.00 C ATOM 1675 CG ASP A 110 15.182 -16.820 -5.204 1.00 0.00 C ATOM 1676 OD1 ASP A 110 16.310 -16.395 -5.532 1.00 0.00 O ATOM 1677 OD2 ASP A 110 14.125 -16.459 -5.765 1.00 0.00 O ATOM 0 H ASP A 110 13.374 -16.057 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 110 14.886 -17.914 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 110 15.983 -18.447 -4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.240 -18.482 -4.242 1.00 0.00 H new ATOM 1682 N THR A 111 15.920 -15.134 -1.770 1.00 0.00 N ATOM 1683 CA THR A 111 16.993 -14.201 -1.449 1.00 0.00 C ATOM 1684 C THR A 111 16.781 -13.573 -0.072 1.00 0.00 C ATOM 1685 O THR A 111 15.742 -13.770 0.558 1.00 0.00 O ATOM 1686 CB THR A 111 17.089 -13.083 -2.507 1.00 0.00 C ATOM 1687 OG1 THR A 111 16.856 -13.626 -3.812 1.00 0.00 O ATOM 1688 CG2 THR A 111 18.456 -12.416 -2.474 1.00 0.00 C ATOM 0 H THR A 111 14.997 -14.843 -1.449 1.00 0.00 H new ATOM 0 HA THR A 111 17.923 -14.769 -1.443 1.00 0.00 H new ATOM 0 HB THR A 111 16.331 -12.334 -2.278 1.00 0.00 H new ATOM 0 HG1 THR A 111 16.917 -12.911 -4.479 1.00 0.00 H new ATOM 0 HG21 THR A 111 18.497 -11.632 -3.230 1.00 0.00 H new ATOM 0 HG22 THR A 111 18.624 -11.980 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 111 19.228 -13.158 -2.679 1.00 0.00 H new ATOM 1696 N ASP A 112 17.775 -12.817 0.387 1.00 0.00 N ATOM 1697 CA ASP A 112 17.705 -12.156 1.685 1.00 0.00 C ATOM 1698 C ASP A 112 16.975 -10.823 1.568 1.00 0.00 C ATOM 1699 O ASP A 112 16.468 -10.287 2.552 1.00 0.00 O ATOM 1700 CB ASP A 112 19.111 -11.927 2.235 1.00 0.00 C ATOM 1701 CG ASP A 112 19.928 -10.995 1.363 1.00 0.00 C ATOM 1702 OD1 ASP A 112 19.869 -9.767 1.588 1.00 0.00 O ATOM 1703 OD2 ASP A 112 20.627 -11.491 0.455 1.00 0.00 O ATOM 0 H ASP A 112 18.641 -12.647 -0.124 1.00 0.00 H new ATOM 0 HA ASP A 112 17.153 -12.800 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 112 19.042 -11.512 3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 112 19.625 -12.884 2.320 1.00 0.00 H new ATOM 1708 N ALA A 113 16.931 -10.302 0.350 1.00 0.00 N ATOM 1709 CA ALA A 113 16.268 -9.033 0.078 1.00 0.00 C ATOM 1710 C ALA A 113 14.751 -9.187 0.122 1.00 0.00 C ATOM 1711 O ALA A 113 14.014 -8.209 -0.005 1.00 0.00 O ATOM 1712 CB ALA A 113 16.707 -8.487 -1.273 1.00 0.00 C ATOM 0 H ALA A 113 17.349 -10.741 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 113 16.558 -8.325 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 113 16.204 -7.539 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 113 17.786 -8.331 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 113 16.446 -9.199 -2.056 1.00 0.00 H new ATOM 1718 N ALA A 114 14.293 -10.422 0.301 1.00 0.00 N ATOM 1719 CA ALA A 114 12.865 -10.709 0.363 1.00 0.00 C ATOM 1720 C ALA A 114 12.335 -10.563 1.784 1.00 0.00 C ATOM 1721 O ALA A 114 11.130 -10.651 2.019 1.00 0.00 O ATOM 1722 CB ALA A 114 12.589 -12.109 -0.157 1.00 0.00 C ATOM 0 H ALA A 114 14.892 -11.241 0.406 1.00 0.00 H new ATOM 0 HA ALA A 114 12.348 -9.985 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.519 -12.312 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.924 -12.185 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.126 -12.836 0.453 1.00 0.00 H new ATOM 1728 N ASP A 115 13.243 -10.345 2.727 1.00 0.00 N ATOM 1729 CA ASP A 115 12.870 -10.186 4.126 1.00 0.00 C ATOM 1730 C ASP A 115 13.018 -8.733 4.561 1.00 0.00 C ATOM 1731 O ASP A 115 12.567 -8.350 5.640 1.00 0.00 O ATOM 1732 CB ASP A 115 13.737 -11.085 5.012 1.00 0.00 C ATOM 1733 CG ASP A 115 13.618 -12.550 4.640 1.00 0.00 C ATOM 1734 OD1 ASP A 115 12.721 -13.230 5.183 1.00 0.00 O ATOM 1735 OD2 ASP A 115 14.423 -13.018 3.808 1.00 0.00 O ATOM 0 H ASP A 115 14.245 -10.274 2.547 1.00 0.00 H new ATOM 0 HA ASP A 115 11.826 -10.478 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.779 -10.775 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.446 -10.953 6.054 1.00 0.00 H new ATOM 1740 N ALA A 116 13.652 -7.926 3.714 1.00 0.00 N ATOM 1741 CA ALA A 116 13.857 -6.515 4.013 1.00 0.00 C ATOM 1742 C ALA A 116 12.587 -5.713 3.754 1.00 0.00 C ATOM 1743 O ALA A 116 12.144 -4.947 4.609 1.00 0.00 O ATOM 1744 CB ALA A 116 15.010 -5.964 3.188 1.00 0.00 C ATOM 0 H ALA A 116 14.032 -8.227 2.816 1.00 0.00 H new ATOM 0 HA ALA A 116 14.106 -6.423 5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.152 -4.909 3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 116 15.921 -6.514 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 116 14.784 -6.074 2.127 1.00 0.00 H new ATOM 1750 N LEU A 117 12.004 -5.891 2.570 1.00 0.00 N ATOM 1751 CA LEU A 117 10.781 -5.182 2.217 1.00 0.00 C ATOM 1752 C LEU A 117 9.633 -5.660 3.095 1.00 0.00 C ATOM 1753 O LEU A 117 8.606 -4.991 3.217 1.00 0.00 O ATOM 1754 CB LEU A 117 10.450 -5.364 0.722 1.00 0.00 C ATOM 1755 CG LEU A 117 9.772 -6.682 0.309 1.00 0.00 C ATOM 1756 CD1 LEU A 117 10.468 -7.880 0.939 1.00 0.00 C ATOM 1757 CD2 LEU A 117 8.290 -6.667 0.664 1.00 0.00 C ATOM 0 H LEU A 117 12.357 -6.516 1.845 1.00 0.00 H new ATOM 0 HA LEU A 117 10.931 -4.117 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 117 9.804 -4.541 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.377 -5.269 0.156 1.00 0.00 H new ATOM 0 HG LEU A 117 9.860 -6.776 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.966 -8.797 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.508 -7.908 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.428 -7.794 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.834 -7.610 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.175 -6.537 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.800 -5.844 0.144 1.00 0.00 H new ATOM 1769 N ILE A 118 9.822 -6.826 3.707 1.00 0.00 N ATOM 1770 CA ILE A 118 8.817 -7.406 4.582 1.00 0.00 C ATOM 1771 C ILE A 118 8.564 -6.491 5.771 1.00 0.00 C ATOM 1772 O ILE A 118 7.448 -6.405 6.282 1.00 0.00 O ATOM 1773 CB ILE A 118 9.249 -8.805 5.077 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.973 -9.860 4.001 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.541 -9.163 6.377 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.509 -9.988 3.632 1.00 0.00 C ATOM 0 H ILE A 118 10.668 -7.387 3.610 1.00 0.00 H new ATOM 0 HA ILE A 118 7.896 -7.515 4.010 1.00 0.00 H new ATOM 0 HB ILE A 118 10.321 -8.783 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.543 -9.611 3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.336 -10.826 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.861 -10.152 6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.791 -8.428 7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.463 -9.166 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.393 -10.754 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.934 -10.268 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.145 -9.034 3.250 1.00 0.00 H new ATOM 1788 N ASP A 119 9.616 -5.804 6.200 1.00 0.00 N ATOM 1789 CA ASP A 119 9.526 -4.883 7.321 1.00 0.00 C ATOM 1790 C ASP A 119 8.422 -3.860 7.095 1.00 0.00 C ATOM 1791 O ASP A 119 7.597 -3.617 7.975 1.00 0.00 O ATOM 1792 CB ASP A 119 10.860 -4.166 7.516 1.00 0.00 C ATOM 1793 CG ASP A 119 11.744 -4.849 8.540 1.00 0.00 C ATOM 1794 OD1 ASP A 119 11.620 -4.526 9.740 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.561 -5.707 8.143 1.00 0.00 O ATOM 0 H ASP A 119 10.545 -5.870 5.784 1.00 0.00 H new ATOM 0 HA ASP A 119 9.288 -5.457 8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.385 -4.118 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.674 -3.139 7.829 1.00 0.00 H new ATOM 1800 N ARG A 120 8.409 -3.273 5.903 1.00 0.00 N ATOM 1801 CA ARG A 120 7.412 -2.267 5.553 1.00 0.00 C ATOM 1802 C ARG A 120 6.001 -2.794 5.783 1.00 0.00 C ATOM 1803 O ARG A 120 5.115 -2.054 6.209 1.00 0.00 O ATOM 1804 CB ARG A 120 7.574 -1.838 4.092 1.00 0.00 C ATOM 1805 CG ARG A 120 8.750 -0.903 3.847 1.00 0.00 C ATOM 1806 CD ARG A 120 10.083 -1.594 4.087 1.00 0.00 C ATOM 1807 NE ARG A 120 11.211 -0.776 3.650 1.00 0.00 N ATOM 1808 CZ ARG A 120 12.427 -0.849 4.183 1.00 0.00 C ATOM 1809 NH1 ARG A 120 12.670 -1.693 5.178 1.00 0.00 N ATOM 1810 NH2 ARG A 120 13.402 -0.077 3.723 1.00 0.00 N ATOM 0 H ARG A 120 9.079 -3.477 5.161 1.00 0.00 H new ATOM 0 HA ARG A 120 7.569 -1.402 6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.696 -2.728 3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.658 -1.346 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.712 -0.533 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.667 -0.036 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.188 -1.819 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.098 -2.546 3.556 1.00 0.00 H new ATOM 0 HE ARG A 120 11.057 -0.110 2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.923 -2.288 5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.604 -1.747 5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.220 0.574 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.334 -0.134 4.133 1.00 0.00 H new ATOM 1824 N TYR A 121 5.799 -4.074 5.495 1.00 0.00 N ATOM 1825 CA TYR A 121 4.493 -4.697 5.670 1.00 0.00 C ATOM 1826 C TYR A 121 4.067 -4.676 7.135 1.00 0.00 C ATOM 1827 O TYR A 121 3.007 -4.149 7.473 1.00 0.00 O ATOM 1828 CB TYR A 121 4.515 -6.138 5.149 1.00 0.00 C ATOM 1829 CG TYR A 121 3.150 -6.793 5.100 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.464 -7.109 6.267 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.550 -7.097 3.885 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.220 -7.707 6.224 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.306 -7.697 3.834 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.645 -7.998 5.005 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.594 -8.596 4.958 1.00 0.00 O ATOM 0 H TYR A 121 6.522 -4.700 5.140 1.00 0.00 H new ATOM 0 HA TYR A 121 3.767 -4.123 5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.947 -6.146 4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.171 -6.734 5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.912 -6.883 7.224 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.064 -6.861 2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.700 -7.945 7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.854 -7.929 2.881 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.856 -8.732 4.024 1.00 0.00 H new ATOM 1845 N HIS A 122 4.892 -5.258 8.000 1.00 0.00 N ATOM 1846 CA HIS A 122 4.592 -5.312 9.429 1.00 0.00 C ATOM 1847 C HIS A 122 4.373 -3.915 10.002 1.00 0.00 C ATOM 1848 O HIS A 122 3.428 -3.686 10.757 1.00 0.00 O ATOM 1849 CB HIS A 122 5.722 -6.014 10.184 1.00 0.00 C ATOM 1850 CG HIS A 122 5.869 -7.461 9.831 1.00 0.00 C ATOM 1851 ND1 HIS A 122 6.297 -8.055 8.692 1.00 0.00 N flip ATOM 1852 CD2 HIS A 122 5.559 -8.485 10.701 1.00 0.00 C flip ATOM 1853 CE1 HIS A 122 6.241 -9.411 8.895 1.00 0.00 C flip ATOM 1854 NE2 HIS A 122 5.792 -9.645 10.115 1.00 0.00 N flip ATOM 0 H HIS A 122 5.773 -5.699 7.738 1.00 0.00 H new ATOM 0 HA HIS A 122 3.670 -5.880 9.554 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.661 -5.501 9.976 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.541 -5.926 11.255 1.00 0.00 H new ATOM 0 HD1 HIS A 122 6.604 -7.583 7.842 1.00 0.00 H new ATOM 0 HD2 HIS A 122 5.184 -8.358 11.706 1.00 0.00 H new ATOM 0 HE1 HIS A 122 6.519 -10.165 8.174 1.00 0.00 H new ATOM 1863 N PHE A 123 5.251 -2.984 9.641 1.00 0.00 N ATOM 1864 CA PHE A 123 5.149 -1.611 10.128 1.00 0.00 C ATOM 1865 C PHE A 123 3.830 -0.972 9.704 1.00 0.00 C ATOM 1866 O PHE A 123 3.056 -0.511 10.543 1.00 0.00 O ATOM 1867 CB PHE A 123 6.324 -0.772 9.618 1.00 0.00 C ATOM 1868 CG PHE A 123 7.651 -1.154 10.218 1.00 0.00 C ATOM 1869 CD1 PHE A 123 7.785 -1.330 11.587 1.00 0.00 C ATOM 1870 CD2 PHE A 123 8.763 -1.335 9.412 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.002 -1.680 12.139 1.00 0.00 C ATOM 1872 CE2 PHE A 123 9.983 -1.685 9.959 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.103 -1.858 11.324 1.00 0.00 C ATOM 0 H PHE A 123 6.039 -3.154 9.015 1.00 0.00 H new ATOM 0 HA PHE A 123 5.180 -1.642 11.217 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.385 -0.870 8.534 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.128 0.279 9.833 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.928 -1.192 12.229 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.676 -1.201 8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.093 -1.814 13.207 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.842 -1.823 9.319 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.055 -2.132 11.753 1.00 0.00 H new ATOM 1883 N LEU A 124 3.580 -0.946 8.397 1.00 0.00 N ATOM 1884 CA LEU A 124 2.356 -0.361 7.860 1.00 0.00 C ATOM 1885 C LEU A 124 1.122 -0.996 8.488 1.00 0.00 C ATOM 1886 O LEU A 124 0.258 -0.298 9.017 1.00 0.00 O ATOM 1887 CB LEU A 124 2.310 -0.528 6.340 1.00 0.00 C ATOM 1888 CG LEU A 124 0.974 -0.167 5.685 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.611 1.284 5.970 1.00 0.00 C ATOM 1890 CD2 LEU A 124 1.030 -0.422 4.188 1.00 0.00 C ATOM 0 H LEU A 124 4.211 -1.324 7.690 1.00 0.00 H new ATOM 0 HA LEU A 124 2.357 0.701 8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.092 0.090 5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.548 -1.564 6.097 1.00 0.00 H new ATOM 0 HG LEU A 124 0.198 -0.802 6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.342 1.521 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.528 1.433 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.387 1.938 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.072 -0.160 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.818 0.187 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.240 -1.476 4.006 1.00 0.00 H new ATOM 1902 N ARG A 125 1.038 -2.321 8.404 1.00 0.00 N ATOM 1903 CA ARG A 125 -0.087 -3.055 8.973 1.00 0.00 C ATOM 1904 C ARG A 125 -0.431 -2.535 10.366 1.00 0.00 C ATOM 1905 O ARG A 125 -1.603 -2.389 10.713 1.00 0.00 O ATOM 1906 CB ARG A 125 0.230 -4.551 9.044 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.878 -5.374 9.683 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.497 -6.841 9.790 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.530 -7.624 10.462 1.00 0.00 N ATOM 1910 CZ ARG A 125 -1.371 -8.888 10.840 1.00 0.00 C ATOM 1911 NH1 ARG A 125 -0.225 -9.514 10.607 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -2.359 -9.529 11.450 1.00 0.00 N ATOM 0 H ARG A 125 1.736 -2.908 7.947 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.948 -2.902 8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.414 -4.924 8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.151 -4.693 9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.097 -4.981 10.676 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.790 -5.277 9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.326 -7.245 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.442 -6.933 10.336 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.426 -7.175 10.652 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.537 -9.025 10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.105 -10.484 10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.242 -9.052 11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.235 -10.499 11.740 1.00 0.00 H new ATOM 1926 N GLY A 126 0.600 -2.257 11.161 1.00 0.00 N ATOM 1927 CA GLY A 126 0.390 -1.756 12.507 1.00 0.00 C ATOM 1928 C GLY A 126 -0.322 -0.417 12.533 1.00 0.00 C ATOM 1929 O GLY A 126 -1.137 -0.162 13.419 1.00 0.00 O ATOM 0 H GLY A 126 1.578 -2.370 10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.192 -2.483 13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.353 -1.660 13.008 1.00 0.00 H new ATOM 1933 N PHE A 127 -0.019 0.440 11.562 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.641 1.757 11.488 1.00 0.00 C ATOM 1935 C PHE A 127 -2.109 1.635 11.099 1.00 0.00 C ATOM 1936 O PHE A 127 -2.931 2.480 11.459 1.00 0.00 O ATOM 1937 CB PHE A 127 0.100 2.638 10.478 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.505 4.004 10.307 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.539 4.899 11.364 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -1.039 4.389 9.089 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -1.096 6.155 11.208 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.597 5.644 8.927 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.625 6.527 9.988 1.00 0.00 C ATOM 0 H PHE A 127 0.651 0.246 10.818 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.580 2.222 12.472 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.137 2.747 10.797 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.115 2.134 9.512 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.126 4.613 12.320 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.020 3.702 8.256 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.117 6.844 12.039 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -2.010 5.933 7.972 1.00 0.00 H new ATOM 0 HZ PHE A 127 -2.060 7.508 9.864 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.430 0.578 10.362 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.797 0.336 9.926 1.00 0.00 C ATOM 1955 C ALA A 128 -4.719 0.128 11.120 1.00 0.00 C ATOM 1956 O ALA A 128 -5.930 0.318 11.017 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.847 -0.871 9.000 1.00 0.00 C ATOM 0 H ALA A 128 -1.759 -0.126 10.054 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.143 1.213 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.875 -1.042 8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.222 -0.686 8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.480 -1.751 9.529 1.00 0.00 H new ATOM 1963 N ALA A 129 -4.139 -0.260 12.254 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.914 -0.490 13.466 1.00 0.00 C ATOM 1965 C ALA A 129 -5.340 0.829 14.102 1.00 0.00 C ATOM 1966 O ALA A 129 -6.329 0.888 14.832 1.00 0.00 O ATOM 1967 CB ALA A 129 -4.111 -1.320 14.456 1.00 0.00 C ATOM 0 H ALA A 129 -3.137 -0.421 12.356 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.815 -1.040 13.194 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.702 -1.484 15.357 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.860 -2.281 14.006 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.194 -0.791 14.715 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.582 1.885 13.821 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.897 3.191 14.369 1.00 0.00 C ATOM 1975 C GLY A 130 -5.988 3.891 13.583 1.00 0.00 C ATOM 1976 O GLY A 130 -6.531 4.904 14.025 1.00 0.00 O ATOM 0 H GLY A 130 -3.756 1.859 13.224 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.212 3.082 15.407 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.999 3.809 14.371 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.305 3.345 12.414 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.339 3.912 11.557 1.00 0.00 C ATOM 1982 C HIS A 131 -8.732 3.535 12.058 1.00 0.00 C ATOM 1983 O HIS A 131 -8.929 2.448 12.600 1.00 0.00 O ATOM 1984 CB HIS A 131 -7.154 3.424 10.117 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.226 4.273 9.307 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.607 5.472 8.740 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.930 4.091 8.964 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.585 5.989 8.082 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.555 5.171 8.202 1.00 0.00 N ATOM 0 H HIS A 131 -5.859 2.508 12.038 1.00 0.00 H new ATOM 0 HA HIS A 131 -7.246 4.998 11.585 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.774 2.402 10.135 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.126 3.394 9.626 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.306 3.253 9.238 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.591 6.922 7.538 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.631 5.317 7.795 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.718 4.435 11.886 1.00 0.00 N ATOM 1999 CA PRO A 132 -11.098 4.185 12.320 1.00 0.00 C ATOM 2000 C PRO A 132 -11.724 3.017 11.566 1.00 0.00 C ATOM 2001 O PRO A 132 -12.685 2.403 12.031 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.827 5.492 11.991 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.987 6.151 10.952 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.570 5.758 11.257 1.00 0.00 C ATOM 0 HA PRO A 132 -11.154 3.915 13.375 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.834 5.300 11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.927 6.121 12.875 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -11.276 5.826 9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -11.107 7.234 10.982 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.962 5.709 10.354 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -9.089 6.471 11.927 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.166 2.719 10.398 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.652 1.620 9.571 1.00 0.00 C ATOM 2014 C GLU A 133 -10.723 0.422 9.679 1.00 0.00 C ATOM 2015 O GLU A 133 -10.754 -0.479 8.841 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.774 2.056 8.114 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.952 2.976 7.859 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.687 4.404 8.293 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.910 5.100 7.605 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -13.258 4.828 9.320 1.00 0.00 O ATOM 0 H GLU A 133 -10.374 3.225 10.001 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.639 1.333 9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.856 2.562 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.870 1.171 7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.194 2.963 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.825 2.596 8.389 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.894 0.430 10.716 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.945 -0.649 10.962 1.00 0.00 C ATOM 2029 C ALA A 134 -9.578 -2.007 10.702 1.00 0.00 C ATOM 2030 O ALA A 134 -8.994 -2.855 10.030 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.425 -0.576 12.390 1.00 0.00 C ATOM 0 H ALA A 134 -9.860 1.180 11.406 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.110 -0.528 10.272 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.717 -1.387 12.561 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.926 0.380 12.547 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.259 -0.669 13.086 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.773 -2.207 11.246 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.490 -3.461 11.075 1.00 0.00 C ATOM 2039 C ALA A 135 -11.597 -3.856 9.605 1.00 0.00 C ATOM 2040 O ALA A 135 -11.333 -5.002 9.244 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.875 -3.360 11.696 1.00 0.00 C ATOM 0 H ALA A 135 -11.265 -1.514 11.810 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.923 -4.240 11.584 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.403 -4.304 11.562 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.782 -3.144 12.760 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.434 -2.560 11.211 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.982 -2.905 8.760 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.135 -3.170 7.334 1.00 0.00 C ATOM 2049 C ALA A 136 -10.789 -3.380 6.645 1.00 0.00 C ATOM 2050 O ALA A 136 -10.667 -4.211 5.746 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.896 -2.033 6.668 1.00 0.00 C ATOM 0 H ALA A 136 -12.193 -1.946 9.037 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.703 -4.094 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -13.004 -2.242 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.883 -1.941 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.347 -1.101 6.801 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.786 -2.624 7.070 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.453 -2.708 6.481 1.00 0.00 C ATOM 2059 C ILE A 137 -7.762 -4.047 6.745 1.00 0.00 C ATOM 2060 O ILE A 137 -7.289 -4.694 5.810 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.555 -1.572 6.999 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.137 -0.218 6.593 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.135 -1.730 6.470 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.428 0.960 7.221 1.00 0.00 C ATOM 0 H ILE A 137 -9.869 -1.942 7.824 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.597 -2.615 5.405 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.518 -1.622 8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -8.090 -0.123 5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.191 -0.187 6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.514 -0.917 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.726 -2.684 6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.147 -1.702 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.896 1.886 6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.497 0.890 8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.380 0.955 6.923 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.701 -4.464 8.006 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.029 -5.715 8.354 1.00 0.00 C ATOM 2078 C TYR A 138 -7.766 -6.923 7.783 1.00 0.00 C ATOM 2079 O TYR A 138 -7.140 -7.901 7.377 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.868 -5.842 9.874 1.00 0.00 C ATOM 2081 CG TYR A 138 -7.989 -6.583 10.570 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.129 -5.917 10.992 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -7.900 -7.949 10.808 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.154 -6.589 11.633 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -8.920 -8.630 11.445 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.044 -7.945 11.856 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.060 -8.619 12.494 1.00 0.00 O ATOM 0 H TYR A 138 -8.103 -3.962 8.797 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.036 -5.693 7.905 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.928 -6.352 10.085 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.791 -4.843 10.302 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.218 -4.855 10.817 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.019 -8.487 10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.035 -6.055 11.957 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.837 -9.693 11.620 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.825 -9.567 12.571 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.092 -6.858 7.756 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.887 -7.957 7.218 1.00 0.00 C ATOM 2099 C ARG A 139 -9.760 -8.000 5.699 1.00 0.00 C ATOM 2100 O ARG A 139 -9.806 -9.069 5.090 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.356 -7.816 7.631 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.081 -6.670 6.946 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.429 -6.399 7.595 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.287 -7.579 7.598 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.530 -7.586 8.071 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -16.058 -6.477 8.573 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -16.246 -8.702 8.042 1.00 0.00 N ATOM 0 H ARG A 139 -9.636 -6.065 8.096 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.508 -8.893 7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.877 -8.747 7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.408 -7.672 8.710 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.467 -5.771 6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.224 -6.906 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.275 -6.061 8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.930 -5.589 7.064 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.913 -8.447 7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.510 -5.617 8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -17.012 -6.485 8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.843 -9.556 7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -17.199 -8.706 8.405 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.602 -6.824 5.098 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.455 -6.719 3.652 1.00 0.00 C ATOM 2123 C ALA A 140 -8.146 -7.351 3.193 1.00 0.00 C ATOM 2124 O ALA A 140 -8.048 -7.863 2.079 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.527 -5.266 3.211 1.00 0.00 C ATOM 0 H ALA A 140 -9.573 -5.931 5.591 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.278 -7.262 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.415 -5.208 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.491 -4.846 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.727 -4.701 3.689 1.00 0.00 H new ATOM 2131 N ILE A 141 -7.134 -7.299 4.053 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.836 -7.882 3.736 1.00 0.00 C ATOM 2133 C ILE A 141 -5.732 -9.301 4.283 1.00 0.00 C ATOM 2134 O ILE A 141 -4.830 -10.055 3.916 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.678 -7.039 4.304 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.773 -6.964 5.830 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.689 -5.644 3.697 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.586 -6.287 6.480 1.00 0.00 C ATOM 0 H ILE A 141 -7.188 -6.860 4.972 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.755 -7.901 2.649 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.736 -7.520 4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.681 -6.426 6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.868 -7.974 6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.865 -5.062 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.577 -5.717 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.633 -5.153 3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.723 -6.271 7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.676 -6.837 6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.502 -5.265 6.110 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.660 -9.656 5.164 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.678 -10.984 5.766 1.00 0.00 C ATOM 2152 C ASP A 142 -7.459 -11.966 4.898 1.00 0.00 C ATOM 2153 O ASP A 142 -8.693 -12.055 5.069 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.291 -10.925 7.167 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.326 -12.280 7.843 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -6.339 -12.628 8.527 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -8.339 -12.995 7.690 1.00 0.00 O ATOM 2158 OXT ASP A 142 -6.831 -12.635 4.052 1.00 0.00 O ATOM 0 H ASP A 142 -7.411 -9.041 5.478 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.648 -11.334 5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -6.718 -10.231 7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.305 -10.530 7.100 1.00 0.00 H new TER 2163 ASP A 142