USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 430 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 105 THR OG1 : rot 178:sc= -0.841! USER MOD Set 1.2: A 107 GLN :FLIP amide:sc= -4.52! C(o=-6!,f=-5.4!) USER MOD Single : A 64 ASN : amide:sc= -0.136 K(o=-0.14,f=-2!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -11.7! C(o=-13!,f=-12!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 72 TYR OH : rot 67:sc= -0.0666 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc=-1.81e-05 K(o=-1.8e-05,f=-2.6!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 99 LYS NZ :NH3+ -129:sc= -2.25 (180deg=-6.61!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0692 USER MOD Single : A 104 THR OG1 : rot 129:sc= 0.281 USER MOD Single : A 114 ASN : amide:sc= 0.334 K(o=0.33,f=-6.2!) USER MOD Single : A 118 LYS NZ :NH3+ 165:sc= -0.0339 (180deg=-0.267) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 64 2.015 2.364 12.723 1.00 0.00 N ATOM 2 CA ASN A 64 2.379 1.956 11.370 1.00 0.00 C ATOM 3 C ASN A 64 1.501 2.669 10.361 1.00 0.00 C ATOM 4 O ASN A 64 1.245 2.153 9.272 1.00 0.00 O ATOM 5 CB ASN A 64 2.211 0.446 11.188 1.00 0.00 C ATOM 6 CG ASN A 64 3.428 -0.341 11.631 1.00 0.00 C ATOM 7 OD1 ASN A 64 4.536 0.190 11.700 1.00 0.00 O ATOM 8 ND2 ASN A 64 3.228 -1.621 11.926 1.00 0.00 N ATOM 0 HA ASN A 64 3.425 2.220 11.211 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.342 0.111 11.755 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.009 0.232 10.139 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.010 -2.204 12.223 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.292 -2.021 11.855 1.00 0.00 H new ATOM 15 N LEU A 65 1.020 3.848 10.729 1.00 0.00 N ATOM 16 CA LEU A 65 0.152 4.597 9.848 1.00 0.00 C ATOM 17 C LEU A 65 0.936 5.373 8.811 1.00 0.00 C ATOM 18 O LEU A 65 2.010 5.913 9.076 1.00 0.00 O ATOM 19 CB LEU A 65 -0.750 5.543 10.630 1.00 0.00 C ATOM 20 CG LEU A 65 -1.478 6.570 9.782 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.346 5.873 8.752 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.308 7.503 10.651 1.00 0.00 C ATOM 0 H LEU A 65 1.216 4.298 11.623 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.471 3.868 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.487 4.953 11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.148 6.066 11.373 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.738 7.176 9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.864 6.618 8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.721 5.255 8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.078 5.244 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.820 8.229 10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.045 6.923 11.207 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.655 8.026 11.350 1.00 0.00 H new ATOM 34 N VAL A 66 0.367 5.406 7.625 1.00 0.00 N ATOM 35 CA VAL A 66 0.958 6.093 6.493 1.00 0.00 C ATOM 36 C VAL A 66 0.011 7.125 5.898 1.00 0.00 C ATOM 37 O VAL A 66 -1.094 7.340 6.394 1.00 0.00 O ATOM 38 CB VAL A 66 1.326 5.098 5.392 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.634 4.397 5.711 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.206 4.089 5.179 1.00 0.00 C ATOM 0 H VAL A 66 -0.524 4.955 7.416 1.00 0.00 H new ATOM 0 HA VAL A 66 1.849 6.597 6.866 1.00 0.00 H new ATOM 0 HB VAL A 66 1.461 5.654 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.874 3.694 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.431 5.135 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.537 3.857 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.490 3.391 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.030 3.540 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.705 4.612 4.889 1.00 0.00 H new ATOM 50 N ILE A 67 0.452 7.748 4.815 1.00 0.00 N ATOM 51 CA ILE A 67 -0.348 8.741 4.124 1.00 0.00 C ATOM 52 C ILE A 67 -0.066 8.715 2.628 1.00 0.00 C ATOM 53 O ILE A 67 1.084 8.766 2.195 1.00 0.00 O ATOM 54 CB ILE A 67 -0.136 10.162 4.702 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.371 10.545 5.506 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.127 11.184 3.603 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.438 11.998 5.921 1.00 0.00 C ATOM 0 H ILE A 67 1.366 7.580 4.396 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.395 8.482 4.283 1.00 0.00 H new ATOM 0 HB ILE A 67 0.744 10.157 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.257 10.310 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.410 9.925 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.271 12.168 4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.023 10.902 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.724 11.214 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.352 12.173 6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.575 12.239 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.435 12.630 5.033 1.00 0.00 H new ATOM 69 N ALA A 68 -1.133 8.623 1.851 1.00 0.00 N ATOM 70 CA ALA A 68 -1.021 8.572 0.398 1.00 0.00 C ATOM 71 C ALA A 68 -0.470 9.874 -0.169 1.00 0.00 C ATOM 72 O ALA A 68 -0.673 10.949 0.397 1.00 0.00 O ATOM 73 CB ALA A 68 -2.370 8.251 -0.224 1.00 0.00 C ATOM 0 H ALA A 68 -2.090 8.582 2.201 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.317 7.779 0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.271 8.216 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.718 7.284 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.090 9.022 0.050 1.00 0.00 H new ATOM 79 N LEU A 69 0.222 9.766 -1.296 1.00 0.00 N ATOM 80 CA LEU A 69 0.801 10.929 -1.955 1.00 0.00 C ATOM 81 C LEU A 69 0.069 11.240 -3.264 1.00 0.00 C ATOM 82 O LEU A 69 0.328 12.260 -3.902 1.00 0.00 O ATOM 83 CB LEU A 69 2.291 10.699 -2.216 1.00 0.00 C ATOM 84 CG LEU A 69 3.168 10.694 -0.959 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.636 10.488 -1.315 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.987 11.991 -0.185 1.00 0.00 C ATOM 0 H LEU A 69 0.396 8.882 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 69 0.688 11.789 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.413 9.746 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.652 11.475 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 69 2.854 9.861 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.235 10.489 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.756 9.533 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.969 11.294 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.616 11.974 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.273 12.833 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.943 12.096 0.110 1.00 0.00 H new ATOM 98 N HIS A 70 -0.857 10.360 -3.650 1.00 0.00 N ATOM 99 CA HIS A 70 -1.637 10.548 -4.871 1.00 0.00 C ATOM 100 C HIS A 70 -2.984 9.843 -4.763 1.00 0.00 C ATOM 101 O HIS A 70 -3.239 9.115 -3.803 1.00 0.00 O ATOM 102 CB HIS A 70 -0.879 10.030 -6.099 1.00 0.00 C ATOM 103 CG HIS A 70 -0.071 8.793 -5.853 1.00 0.00 C ATOM 104 ND1 HIS A 70 0.848 8.512 -4.903 1.00 0.00 N flip ATOM 105 CD2 HIS A 70 -0.143 7.675 -6.655 1.00 0.00 C flip ATOM 106 CE1 HIS A 70 1.314 7.242 -5.145 1.00 0.00 C flip ATOM 107 NE2 HIS A 70 0.697 6.760 -6.207 1.00 0.00 N flip ATOM 0 H HIS A 70 -1.084 9.510 -3.133 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.803 11.618 -4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.596 9.828 -6.895 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.216 10.816 -6.459 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.786 7.564 -7.516 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.062 6.724 -4.562 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.844 5.836 -6.613 1.00 0.00 H new ATOM 116 N SER A 71 -3.844 10.062 -5.752 1.00 0.00 N ATOM 117 CA SER A 71 -5.163 9.442 -5.766 1.00 0.00 C ATOM 118 C SER A 71 -5.068 7.997 -6.233 1.00 0.00 C ATOM 119 O SER A 71 -4.547 7.716 -7.313 1.00 0.00 O ATOM 120 CB SER A 71 -6.111 10.219 -6.677 1.00 0.00 C ATOM 121 OG SER A 71 -5.699 11.568 -6.815 1.00 0.00 O ATOM 0 H SER A 71 -3.651 10.663 -6.553 1.00 0.00 H new ATOM 0 HA SER A 71 -5.557 9.460 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.147 9.745 -7.658 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.121 10.185 -6.269 1.00 0.00 H new ATOM 0 HG SER A 71 -6.322 12.042 -7.404 1.00 0.00 H new ATOM 127 N TYR A 72 -5.562 7.079 -5.410 1.00 0.00 N ATOM 128 CA TYR A 72 -5.513 5.658 -5.751 1.00 0.00 C ATOM 129 C TYR A 72 -6.851 5.139 -6.263 1.00 0.00 C ATOM 130 O TYR A 72 -7.916 5.564 -5.814 1.00 0.00 O ATOM 131 CB TYR A 72 -5.089 4.820 -4.546 1.00 0.00 C ATOM 132 CG TYR A 72 -4.911 3.353 -4.876 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.173 2.953 -5.982 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.488 2.372 -4.084 1.00 0.00 C ATOM 135 CE1 TYR A 72 -4.018 1.615 -6.290 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.334 1.032 -4.382 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.599 0.659 -5.486 1.00 0.00 C ATOM 138 OH TYR A 72 -4.449 -0.674 -5.788 1.00 0.00 O ATOM 0 H TYR A 72 -5.997 7.287 -4.511 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.776 5.562 -6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.153 5.213 -4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.837 4.921 -3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.713 3.700 -6.612 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.068 2.660 -3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.444 1.320 -7.156 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.787 0.280 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.509 -0.930 -5.681 1.00 0.00 H new ATOM 148 N GLU A 73 -6.776 4.195 -7.197 1.00 0.00 N ATOM 149 CA GLU A 73 -7.953 3.577 -7.775 1.00 0.00 C ATOM 150 C GLU A 73 -7.759 2.062 -7.865 1.00 0.00 C ATOM 151 O GLU A 73 -7.187 1.551 -8.828 1.00 0.00 O ATOM 152 CB GLU A 73 -8.220 4.154 -9.148 1.00 0.00 C ATOM 153 CG GLU A 73 -9.532 4.906 -9.241 1.00 0.00 C ATOM 154 CD GLU A 73 -9.648 5.727 -10.510 1.00 0.00 C ATOM 155 OE1 GLU A 73 -8.600 6.032 -11.117 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.786 6.068 -10.896 1.00 0.00 O ATOM 0 H GLU A 73 -5.895 3.841 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.812 3.783 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.405 4.826 -9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.220 3.346 -9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.357 4.195 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.631 5.564 -8.377 1.00 0.00 H new ATOM 163 N PRO A 74 -8.233 1.333 -6.846 1.00 0.00 N ATOM 164 CA PRO A 74 -8.131 -0.120 -6.755 1.00 0.00 C ATOM 165 C PRO A 74 -8.300 -0.822 -8.099 1.00 0.00 C ATOM 166 O PRO A 74 -9.259 -0.570 -8.830 1.00 0.00 O ATOM 167 CB PRO A 74 -9.272 -0.500 -5.796 1.00 0.00 C ATOM 168 CG PRO A 74 -9.892 0.791 -5.349 1.00 0.00 C ATOM 169 CD PRO A 74 -8.911 1.877 -5.683 1.00 0.00 C ATOM 0 HA PRO A 74 -7.143 -0.429 -6.413 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.006 -1.132 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.893 -1.065 -4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.843 0.959 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.099 0.771 -4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.409 2.820 -5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.220 2.068 -4.862 1.00 0.00 H new ATOM 177 N SER A 75 -7.358 -1.706 -8.414 1.00 0.00 N ATOM 178 CA SER A 75 -7.392 -2.454 -9.665 1.00 0.00 C ATOM 179 C SER A 75 -7.309 -3.956 -9.401 1.00 0.00 C ATOM 180 O SER A 75 -8.002 -4.747 -10.041 1.00 0.00 O ATOM 181 CB SER A 75 -6.242 -2.020 -10.573 1.00 0.00 C ATOM 182 OG SER A 75 -6.492 -2.380 -11.922 1.00 0.00 O ATOM 0 H SER A 75 -6.559 -1.922 -7.817 1.00 0.00 H new ATOM 0 HA SER A 75 -8.338 -2.242 -10.163 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.105 -0.941 -10.501 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.314 -2.482 -10.236 1.00 0.00 H new ATOM 0 HG SER A 75 -5.742 -2.090 -12.482 1.00 0.00 H new ATOM 188 N HIS A 76 -6.460 -4.342 -8.452 1.00 0.00 N ATOM 189 CA HIS A 76 -6.290 -5.749 -8.104 1.00 0.00 C ATOM 190 C HIS A 76 -7.417 -6.218 -7.188 1.00 0.00 C ATOM 191 O HIS A 76 -8.260 -5.425 -6.767 1.00 0.00 O ATOM 192 CB HIS A 76 -4.936 -5.972 -7.426 1.00 0.00 C ATOM 193 CG HIS A 76 -3.851 -6.373 -8.377 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.427 -7.677 -8.528 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.101 -5.634 -9.229 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.462 -7.721 -9.431 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.247 -6.496 -9.871 1.00 0.00 N ATOM 0 H HIS A 76 -5.880 -3.701 -7.911 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.324 -6.333 -9.024 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.640 -5.056 -6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.043 -6.743 -6.663 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.163 -4.566 -9.376 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.939 -8.609 -9.754 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.557 -6.232 -10.575 1.00 0.00 H new ATOM 206 N ASP A 77 -7.428 -7.512 -6.885 1.00 0.00 N ATOM 207 CA ASP A 77 -8.454 -8.088 -6.022 1.00 0.00 C ATOM 208 C ASP A 77 -8.169 -7.789 -4.553 1.00 0.00 C ATOM 209 O ASP A 77 -7.013 -7.750 -4.130 1.00 0.00 O ATOM 210 CB ASP A 77 -8.542 -9.599 -6.237 1.00 0.00 C ATOM 211 CG ASP A 77 -8.596 -9.973 -7.705 1.00 0.00 C ATOM 212 OD1 ASP A 77 -9.674 -9.822 -8.316 1.00 0.00 O ATOM 213 OD2 ASP A 77 -7.560 -10.417 -8.244 1.00 0.00 O ATOM 0 H ASP A 77 -6.738 -8.182 -7.224 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.408 -7.632 -6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.680 -10.080 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.429 -9.983 -5.734 1.00 0.00 H new ATOM 218 N GLY A 78 -9.232 -7.582 -3.780 1.00 0.00 N ATOM 219 CA GLY A 78 -9.076 -7.293 -2.365 1.00 0.00 C ATOM 220 C GLY A 78 -8.227 -6.064 -2.111 1.00 0.00 C ATOM 221 O GLY A 78 -7.451 -6.028 -1.157 1.00 0.00 O ATOM 0 H GLY A 78 -10.197 -7.609 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.059 -7.150 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.622 -8.152 -1.870 1.00 0.00 H new ATOM 225 N ASP A 79 -8.374 -5.054 -2.963 1.00 0.00 N ATOM 226 CA ASP A 79 -7.609 -3.823 -2.819 1.00 0.00 C ATOM 227 C ASP A 79 -8.429 -2.744 -2.124 1.00 0.00 C ATOM 228 O ASP A 79 -9.659 -2.764 -2.154 1.00 0.00 O ATOM 229 CB ASP A 79 -7.149 -3.318 -4.186 1.00 0.00 C ATOM 230 CG ASP A 79 -6.115 -4.225 -4.820 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.311 -5.458 -4.797 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.107 -3.701 -5.337 1.00 0.00 O ATOM 0 H ASP A 79 -9.014 -5.065 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.736 -4.045 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.011 -3.236 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.733 -2.316 -4.079 1.00 0.00 H new ATOM 237 N LEU A 80 -7.732 -1.797 -1.511 1.00 0.00 N ATOM 238 CA LEU A 80 -8.379 -0.693 -0.816 1.00 0.00 C ATOM 239 C LEU A 80 -8.049 0.623 -1.510 1.00 0.00 C ATOM 240 O LEU A 80 -6.880 0.958 -1.700 1.00 0.00 O ATOM 241 CB LEU A 80 -7.936 -0.656 0.655 1.00 0.00 C ATOM 242 CG LEU A 80 -8.055 0.702 1.352 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.504 1.003 1.707 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.184 0.737 2.598 1.00 0.00 C ATOM 0 H LEU A 80 -6.713 -1.772 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.459 -0.840 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.528 -1.382 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.897 -0.982 0.711 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.707 1.471 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.564 1.973 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.105 1.021 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.883 0.231 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.280 1.709 3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.504 -0.045 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.143 0.572 2.319 1.00 0.00 H new ATOM 256 N GLY A 81 -9.082 1.368 -1.883 1.00 0.00 N ATOM 257 CA GLY A 81 -8.869 2.637 -2.548 1.00 0.00 C ATOM 258 C GLY A 81 -8.804 3.788 -1.570 1.00 0.00 C ATOM 259 O GLY A 81 -9.547 3.822 -0.589 1.00 0.00 O ATOM 0 H GLY A 81 -10.060 1.117 -1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.942 2.595 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.675 2.812 -3.260 1.00 0.00 H new ATOM 263 N PHE A 82 -7.915 4.729 -1.837 1.00 0.00 N ATOM 264 CA PHE A 82 -7.754 5.888 -0.974 1.00 0.00 C ATOM 265 C PHE A 82 -7.506 7.142 -1.788 1.00 0.00 C ATOM 266 O PHE A 82 -7.384 7.090 -3.012 1.00 0.00 O ATOM 267 CB PHE A 82 -6.602 5.674 0.010 1.00 0.00 C ATOM 268 CG PHE A 82 -5.419 4.951 -0.576 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.501 3.608 -0.905 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.223 5.616 -0.794 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.413 2.943 -1.438 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.131 4.954 -1.329 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.228 3.617 -1.649 1.00 0.00 C ATOM 0 H PHE A 82 -7.293 4.714 -2.645 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.680 6.014 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.273 6.644 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.971 5.110 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.426 3.074 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.142 6.663 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.491 1.896 -1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.205 5.484 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.377 3.097 -2.065 1.00 0.00 H new ATOM 283 N GLU A 83 -7.435 8.271 -1.101 1.00 0.00 N ATOM 284 CA GLU A 83 -7.206 9.544 -1.759 1.00 0.00 C ATOM 285 C GLU A 83 -5.791 10.043 -1.495 1.00 0.00 C ATOM 286 O GLU A 83 -5.060 9.470 -0.687 1.00 0.00 O ATOM 287 CB GLU A 83 -8.224 10.568 -1.263 1.00 0.00 C ATOM 288 CG GLU A 83 -9.296 10.900 -2.284 1.00 0.00 C ATOM 289 CD GLU A 83 -9.536 12.391 -2.417 1.00 0.00 C ATOM 290 OE1 GLU A 83 -9.221 13.131 -1.461 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.041 12.819 -3.477 1.00 0.00 O ATOM 0 H GLU A 83 -7.533 8.330 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.324 9.407 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.700 10.187 -0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.701 11.484 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.006 10.495 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.227 10.410 -1.999 1.00 0.00 H new ATOM 298 N LYS A 84 -5.413 11.123 -2.166 1.00 0.00 N ATOM 299 CA LYS A 84 -4.095 11.703 -1.978 1.00 0.00 C ATOM 300 C LYS A 84 -4.041 12.385 -0.614 1.00 0.00 C ATOM 301 O LYS A 84 -4.919 13.175 -0.270 1.00 0.00 O ATOM 302 CB LYS A 84 -3.781 12.683 -3.111 1.00 0.00 C ATOM 303 CG LYS A 84 -2.703 13.705 -2.774 1.00 0.00 C ATOM 304 CD LYS A 84 -2.845 14.960 -3.615 1.00 0.00 C ATOM 305 CE LYS A 84 -2.290 14.760 -5.018 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.223 15.750 -5.338 1.00 0.00 N ATOM 0 H LYS A 84 -6.000 11.612 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.336 10.921 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.468 12.117 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.695 13.212 -3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.764 13.965 -1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.719 13.265 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.896 15.241 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.322 15.785 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.889 13.751 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.098 14.849 -5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.870 15.581 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.612 16.712 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.441 15.648 -4.660 1.00 0.00 H new ATOM 320 N GLY A 85 -3.030 12.041 0.171 1.00 0.00 N ATOM 321 CA GLY A 85 -2.907 12.594 1.507 1.00 0.00 C ATOM 322 C GLY A 85 -3.722 11.801 2.510 1.00 0.00 C ATOM 323 O GLY A 85 -3.566 11.969 3.719 1.00 0.00 O ATOM 0 H GLY A 85 -2.292 11.388 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.859 12.595 1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.239 13.632 1.505 1.00 0.00 H new ATOM 327 N GLU A 86 -4.582 10.916 2.003 1.00 0.00 N ATOM 328 CA GLU A 86 -5.409 10.075 2.851 1.00 0.00 C ATOM 329 C GLU A 86 -4.530 9.276 3.790 1.00 0.00 C ATOM 330 O GLU A 86 -3.321 9.181 3.588 1.00 0.00 O ATOM 331 CB GLU A 86 -6.238 9.120 1.986 1.00 0.00 C ATOM 332 CG GLU A 86 -7.655 8.845 2.473 1.00 0.00 C ATOM 333 CD GLU A 86 -8.069 9.658 3.688 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.832 9.192 4.822 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.630 10.759 3.503 1.00 0.00 O ATOM 0 H GLU A 86 -4.720 10.767 1.003 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.080 10.706 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.294 9.529 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.707 8.170 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.352 9.049 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.745 7.785 2.712 1.00 0.00 H new ATOM 342 N GLN A 87 -5.136 8.696 4.807 1.00 0.00 N ATOM 343 CA GLN A 87 -4.389 7.902 5.767 1.00 0.00 C ATOM 344 C GLN A 87 -4.951 6.499 5.873 1.00 0.00 C ATOM 345 O GLN A 87 -6.154 6.276 5.740 1.00 0.00 O ATOM 346 CB GLN A 87 -4.382 8.569 7.139 1.00 0.00 C ATOM 347 CG GLN A 87 -4.129 10.063 7.080 1.00 0.00 C ATOM 348 CD GLN A 87 -4.958 10.839 8.084 1.00 0.00 C ATOM 349 OE1 GLN A 87 -6.097 11.213 7.809 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.386 11.088 9.257 1.00 0.00 N ATOM 0 H GLN A 87 -6.137 8.758 4.991 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.362 7.835 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.340 8.389 7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.616 8.102 7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.072 10.255 7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.350 10.425 6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.439 10.759 9.443 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.894 11.608 9.972 1.00 0.00 H new ATOM 359 N LEU A 88 -4.056 5.564 6.115 1.00 0.00 N ATOM 360 CA LEU A 88 -4.414 4.159 6.248 1.00 0.00 C ATOM 361 C LEU A 88 -3.518 3.486 7.260 1.00 0.00 C ATOM 362 O LEU A 88 -2.292 3.558 7.167 1.00 0.00 O ATOM 363 CB LEU A 88 -4.285 3.419 4.919 1.00 0.00 C ATOM 364 CG LEU A 88 -4.514 4.254 3.663 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.442 3.951 2.630 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.899 3.982 3.105 1.00 0.00 C ATOM 0 H LEU A 88 -3.060 5.752 6.226 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.453 4.120 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.288 2.983 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.995 2.592 4.916 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.449 5.311 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.616 4.553 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.462 4.189 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.478 2.894 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.054 4.582 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.989 2.925 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.650 4.243 3.851 1.00 0.00 H new ATOM 378 N ARG A 89 -4.130 2.811 8.207 1.00 0.00 N ATOM 379 CA ARG A 89 -3.387 2.105 9.215 1.00 0.00 C ATOM 380 C ARG A 89 -2.907 0.780 8.641 1.00 0.00 C ATOM 381 O ARG A 89 -3.679 -0.163 8.479 1.00 0.00 O ATOM 382 CB ARG A 89 -4.252 1.896 10.447 1.00 0.00 C ATOM 383 CG ARG A 89 -3.658 0.908 11.411 1.00 0.00 C ATOM 384 CD ARG A 89 -4.459 0.839 12.694 1.00 0.00 C ATOM 385 NE ARG A 89 -3.674 0.301 13.800 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.201 -0.277 14.876 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.517 -0.391 15.001 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.410 -0.742 15.834 1.00 0.00 N ATOM 0 H ARG A 89 -5.143 2.739 8.296 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.517 2.689 9.517 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.394 2.851 10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.238 1.549 10.139 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.623 -0.078 10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.630 1.191 11.637 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.815 1.836 12.953 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.340 0.217 12.538 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.658 0.373 13.745 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.132 -0.034 14.269 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.914 -0.835 15.829 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.397 -0.656 15.746 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.814 -1.185 16.659 1.00 0.00 H new ATOM 402 N ILE A 90 -1.630 0.740 8.305 1.00 0.00 N ATOM 403 CA ILE A 90 -1.025 -0.439 7.706 1.00 0.00 C ATOM 404 C ILE A 90 -1.140 -1.660 8.600 1.00 0.00 C ATOM 405 O ILE A 90 -0.509 -1.749 9.654 1.00 0.00 O ATOM 406 CB ILE A 90 0.458 -0.196 7.354 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.605 1.090 6.542 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.028 -1.369 6.578 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.053 1.029 5.178 1.00 0.00 C ATOM 0 H ILE A 90 -0.985 1.519 8.438 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.581 -0.633 6.789 1.00 0.00 H new ATOM 0 HB ILE A 90 1.017 -0.095 8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.174 1.917 7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.665 1.309 6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.074 -1.175 6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.954 -2.274 7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.465 -1.502 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.093 1.977 4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.394 0.224 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.120 0.841 5.297 1.00 0.00 H new ATOM 421 N LEU A 91 -1.940 -2.610 8.142 1.00 0.00 N ATOM 422 CA LEU A 91 -2.148 -3.861 8.848 1.00 0.00 C ATOM 423 C LEU A 91 -0.973 -4.778 8.574 1.00 0.00 C ATOM 424 O LEU A 91 -0.384 -5.360 9.484 1.00 0.00 O ATOM 425 CB LEU A 91 -3.446 -4.499 8.364 1.00 0.00 C ATOM 426 CG LEU A 91 -4.632 -3.533 8.303 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.879 -4.215 7.773 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.892 -2.921 9.672 1.00 0.00 C ATOM 0 H LEU A 91 -2.463 -2.534 7.270 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.222 -3.685 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.283 -4.921 7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.700 -5.328 9.025 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.375 -2.734 7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.701 -3.499 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.689 -4.591 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.145 -5.046 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.738 -2.237 9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.116 -3.712 10.387 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.008 -2.375 10.000 1.00 0.00 H new ATOM 440 N GLU A 92 -0.625 -4.865 7.299 1.00 0.00 N ATOM 441 CA GLU A 92 0.498 -5.668 6.860 1.00 0.00 C ATOM 442 C GLU A 92 1.224 -4.960 5.730 1.00 0.00 C ATOM 443 O GLU A 92 0.599 -4.404 4.831 1.00 0.00 O ATOM 444 CB GLU A 92 0.044 -7.056 6.425 1.00 0.00 C ATOM 445 CG GLU A 92 0.656 -8.154 7.270 1.00 0.00 C ATOM 446 CD GLU A 92 -0.376 -8.924 8.071 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.432 -8.341 8.394 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.128 -10.110 8.374 1.00 0.00 O ATOM 0 H GLU A 92 -1.113 -4.382 6.545 1.00 0.00 H new ATOM 0 HA GLU A 92 1.184 -5.794 7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.043 -7.116 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.313 -7.213 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.197 -8.845 6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.386 -7.717 7.951 1.00 0.00 H new ATOM 455 N GLN A 93 2.545 -4.960 5.791 1.00 0.00 N ATOM 456 CA GLN A 93 3.345 -4.291 4.780 1.00 0.00 C ATOM 457 C GLN A 93 4.342 -5.245 4.144 1.00 0.00 C ATOM 458 O GLN A 93 5.459 -4.860 3.799 1.00 0.00 O ATOM 459 CB GLN A 93 4.063 -3.099 5.393 1.00 0.00 C ATOM 460 CG GLN A 93 4.480 -3.350 6.812 1.00 0.00 C ATOM 461 CD GLN A 93 4.984 -2.105 7.515 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.449 -1.012 7.329 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.022 -2.265 8.329 1.00 0.00 N ATOM 0 H GLN A 93 3.085 -5.414 6.528 1.00 0.00 H new ATOM 0 HA GLN A 93 2.678 -3.939 3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.943 -2.862 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.409 -2.227 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.634 -3.755 7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.262 -4.109 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.435 -3.189 8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.406 -1.463 8.829 1.00 0.00 H new ATOM 472 N SER A 94 3.921 -6.490 3.981 1.00 0.00 N ATOM 473 CA SER A 94 4.762 -7.505 3.371 1.00 0.00 C ATOM 474 C SER A 94 4.445 -7.619 1.886 1.00 0.00 C ATOM 475 O SER A 94 3.302 -7.869 1.503 1.00 0.00 O ATOM 476 CB SER A 94 4.559 -8.856 4.059 1.00 0.00 C ATOM 477 OG SER A 94 3.486 -8.804 4.985 1.00 0.00 O ATOM 0 H SER A 94 2.999 -6.821 4.264 1.00 0.00 H new ATOM 0 HA SER A 94 5.805 -7.211 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.359 -9.622 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.474 -9.145 4.575 1.00 0.00 H new ATOM 0 HG SER A 94 3.377 -9.681 5.409 1.00 0.00 H new ATOM 483 N GLY A 95 5.458 -7.423 1.053 1.00 0.00 N ATOM 484 CA GLY A 95 5.256 -7.496 -0.380 1.00 0.00 C ATOM 485 C GLY A 95 4.925 -6.159 -0.992 1.00 0.00 C ATOM 486 O GLY A 95 4.505 -5.230 -0.302 1.00 0.00 O ATOM 0 H GLY A 95 6.414 -7.215 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.156 -7.892 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.450 -8.198 -0.593 1.00 0.00 H new ATOM 490 N GLU A 96 5.115 -6.071 -2.300 1.00 0.00 N ATOM 491 CA GLU A 96 4.838 -4.855 -3.046 1.00 0.00 C ATOM 492 C GLU A 96 3.451 -4.293 -2.710 1.00 0.00 C ATOM 493 O GLU A 96 3.184 -3.114 -2.928 1.00 0.00 O ATOM 494 CB GLU A 96 4.960 -5.147 -4.538 1.00 0.00 C ATOM 495 CG GLU A 96 3.961 -4.392 -5.365 1.00 0.00 C ATOM 496 CD GLU A 96 4.177 -4.555 -6.857 1.00 0.00 C ATOM 497 OE1 GLU A 96 4.599 -5.652 -7.280 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.924 -3.587 -7.603 1.00 0.00 O ATOM 0 H GLU A 96 5.465 -6.839 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 96 5.566 -4.095 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.966 -4.893 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.829 -6.216 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.957 -4.732 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.014 -3.334 -5.110 1.00 0.00 H new ATOM 505 N TRP A 97 2.571 -5.140 -2.185 1.00 0.00 N ATOM 506 CA TRP A 97 1.226 -4.711 -1.827 1.00 0.00 C ATOM 507 C TRP A 97 1.029 -4.764 -0.314 1.00 0.00 C ATOM 508 O TRP A 97 1.113 -5.830 0.295 1.00 0.00 O ATOM 509 CB TRP A 97 0.194 -5.587 -2.531 1.00 0.00 C ATOM 510 CG TRP A 97 0.015 -5.228 -3.975 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.724 -5.717 -5.035 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.925 -4.295 -4.515 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.284 -5.138 -6.201 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.727 -4.262 -5.908 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.914 -3.484 -3.955 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.483 -3.447 -6.748 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.663 -2.676 -4.787 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.444 -2.662 -6.171 1.00 0.00 C ATOM 0 H TRP A 97 2.765 -6.124 -1.999 1.00 0.00 H new ATOM 0 HA TRP A 97 1.091 -3.679 -2.151 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.499 -6.631 -2.456 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.763 -5.497 -2.018 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.514 -6.450 -4.967 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.651 -5.330 -7.133 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.090 -3.489 -2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.317 -3.435 -7.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.430 -2.044 -4.364 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -3.046 -2.018 -6.795 1.00 0.00 H new ATOM 529 N TRP A 98 0.782 -3.603 0.290 1.00 0.00 N ATOM 530 CA TRP A 98 0.593 -3.520 1.735 1.00 0.00 C ATOM 531 C TRP A 98 -0.878 -3.478 2.120 1.00 0.00 C ATOM 532 O TRP A 98 -1.675 -2.761 1.513 1.00 0.00 O ATOM 533 CB TRP A 98 1.283 -2.277 2.291 1.00 0.00 C ATOM 534 CG TRP A 98 2.776 -2.355 2.259 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.539 -3.367 1.756 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.685 -1.379 2.765 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.873 -3.078 1.922 1.00 0.00 N ATOM 538 CE2 TRP A 98 4.987 -1.857 2.537 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.516 -0.146 3.387 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.118 -1.136 2.913 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.635 0.573 3.760 1.00 0.00 C ATOM 542 CH2 TRP A 98 5.924 0.076 3.519 1.00 0.00 C ATOM 0 H TRP A 98 0.708 -2.710 -0.198 1.00 0.00 H new ATOM 0 HA TRP A 98 1.035 -4.420 2.162 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.961 -1.407 1.719 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.958 -2.121 3.320 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.152 -4.264 1.295 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.650 -3.673 1.635 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.526 0.243 3.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.112 -1.519 2.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.516 1.531 4.244 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.781 0.661 3.818 1.00 0.00 H new ATOM 553 N LYS A 99 -1.219 -4.224 3.163 1.00 0.00 N ATOM 554 CA LYS A 99 -2.578 -4.250 3.674 1.00 0.00 C ATOM 555 C LYS A 99 -2.776 -3.075 4.618 1.00 0.00 C ATOM 556 O LYS A 99 -2.169 -3.026 5.687 1.00 0.00 O ATOM 557 CB LYS A 99 -2.849 -5.562 4.417 1.00 0.00 C ATOM 558 CG LYS A 99 -4.216 -5.621 5.083 1.00 0.00 C ATOM 559 CD LYS A 99 -5.265 -4.928 4.243 1.00 0.00 C ATOM 560 CE LYS A 99 -6.671 -5.330 4.654 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.406 -6.005 3.547 1.00 0.00 N ATOM 0 H LYS A 99 -0.567 -4.821 3.672 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.274 -4.177 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.762 -6.391 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.079 -5.704 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.502 -6.661 5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.165 -5.152 6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.153 -3.848 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.109 -5.172 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.620 -5.997 5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.224 -4.445 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.332 -5.550 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.856 -5.928 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.543 -7.009 3.783 1.00 0.00 H new ATOM 575 N ALA A 100 -3.611 -2.123 4.227 1.00 0.00 N ATOM 576 CA ALA A 100 -3.852 -0.954 5.059 1.00 0.00 C ATOM 577 C ALA A 100 -5.305 -0.850 5.466 1.00 0.00 C ATOM 578 O ALA A 100 -6.206 -1.135 4.679 1.00 0.00 O ATOM 579 CB ALA A 100 -3.436 0.319 4.337 1.00 0.00 C ATOM 0 H ALA A 100 -4.128 -2.136 3.348 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.248 -1.072 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.626 1.180 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.374 0.271 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.011 0.419 3.416 1.00 0.00 H new ATOM 585 N GLN A 101 -5.528 -0.398 6.689 1.00 0.00 N ATOM 586 CA GLN A 101 -6.871 -0.208 7.181 1.00 0.00 C ATOM 587 C GLN A 101 -7.133 1.278 7.280 1.00 0.00 C ATOM 588 O GLN A 101 -6.557 1.968 8.119 1.00 0.00 O ATOM 589 CB GLN A 101 -7.078 -0.878 8.537 1.00 0.00 C ATOM 590 CG GLN A 101 -8.413 -0.547 9.166 1.00 0.00 C ATOM 591 CD GLN A 101 -8.471 -0.887 10.641 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.980 -1.940 11.028 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.950 0.006 11.474 1.00 0.00 N ATOM 0 H GLN A 101 -4.793 -0.158 7.354 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.573 -0.673 6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.998 -1.958 8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.279 -0.572 9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.617 0.516 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.200 -1.089 8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.539 0.865 11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.961 -0.167 12.479 1.00 0.00 H new ATOM 602 N SER A 102 -7.999 1.767 6.414 1.00 0.00 N ATOM 603 CA SER A 102 -8.335 3.170 6.391 1.00 0.00 C ATOM 604 C SER A 102 -8.671 3.650 7.794 1.00 0.00 C ATOM 605 O SER A 102 -8.835 2.844 8.711 1.00 0.00 O ATOM 606 CB SER A 102 -9.500 3.381 5.438 1.00 0.00 C ATOM 607 OG SER A 102 -9.093 4.082 4.276 1.00 0.00 O ATOM 0 H SER A 102 -8.484 1.206 5.714 1.00 0.00 H new ATOM 0 HA SER A 102 -7.484 3.754 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.920 2.416 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.290 3.937 5.943 1.00 0.00 H new ATOM 0 HG SER A 102 -9.862 4.202 3.680 1.00 0.00 H new ATOM 613 N LEU A 103 -8.743 4.954 7.975 1.00 0.00 N ATOM 614 CA LEU A 103 -9.038 5.505 9.291 1.00 0.00 C ATOM 615 C LEU A 103 -10.229 6.448 9.262 1.00 0.00 C ATOM 616 O LEU A 103 -10.902 6.640 10.274 1.00 0.00 O ATOM 617 CB LEU A 103 -7.802 6.190 9.844 1.00 0.00 C ATOM 618 CG LEU A 103 -6.727 5.208 10.308 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.677 5.042 9.229 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.092 5.643 11.618 1.00 0.00 C ATOM 0 H LEU A 103 -8.604 5.648 7.240 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.314 4.683 9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.383 6.843 9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.090 6.825 10.681 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.206 4.246 10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.915 4.341 9.568 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.145 4.659 8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.215 6.007 9.020 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.333 4.918 11.913 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.629 6.621 11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.858 5.702 12.392 1.00 0.00 H new ATOM 632 N THR A 104 -10.506 7.009 8.098 1.00 0.00 N ATOM 633 CA THR A 104 -11.638 7.896 7.941 1.00 0.00 C ATOM 634 C THR A 104 -12.891 7.063 7.723 1.00 0.00 C ATOM 635 O THR A 104 -13.962 7.347 8.258 1.00 0.00 O ATOM 636 CB THR A 104 -11.406 8.817 6.753 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.043 9.189 6.662 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.222 10.072 6.833 1.00 0.00 C ATOM 0 H THR A 104 -9.960 6.864 7.249 1.00 0.00 H new ATOM 0 HA THR A 104 -11.760 8.506 8.836 1.00 0.00 H new ATOM 0 HB THR A 104 -11.710 8.252 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.716 9.015 5.755 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.019 10.694 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.281 9.816 6.858 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.960 10.619 7.738 1.00 0.00 H new ATOM 646 N THR A 105 -12.711 6.020 6.932 1.00 0.00 N ATOM 647 CA THR A 105 -13.761 5.076 6.595 1.00 0.00 C ATOM 648 C THR A 105 -13.485 3.747 7.281 1.00 0.00 C ATOM 649 O THR A 105 -14.389 3.029 7.711 1.00 0.00 O ATOM 650 CB THR A 105 -13.764 4.867 5.089 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.943 3.770 4.726 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.274 6.071 4.313 1.00 0.00 C ATOM 0 H THR A 105 -11.814 5.802 6.498 1.00 0.00 H new ATOM 0 HA THR A 105 -14.726 5.462 6.923 1.00 0.00 H new ATOM 0 HB THR A 105 -14.808 4.684 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.987 3.635 3.756 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.303 5.852 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.915 6.926 4.525 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.251 6.303 4.609 1.00 0.00 H new ATOM 660 N GLY A 106 -12.201 3.455 7.355 1.00 0.00 N ATOM 661 CA GLY A 106 -11.699 2.250 7.953 1.00 0.00 C ATOM 662 C GLY A 106 -11.757 1.056 7.030 1.00 0.00 C ATOM 663 O GLY A 106 -11.345 -0.041 7.405 1.00 0.00 O ATOM 0 H GLY A 106 -11.469 4.066 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.667 2.410 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.274 2.033 8.853 1.00 0.00 H new ATOM 667 N GLN A 107 -12.251 1.262 5.814 1.00 0.00 N ATOM 668 CA GLN A 107 -12.334 0.198 4.847 1.00 0.00 C ATOM 669 C GLN A 107 -11.001 -0.511 4.701 1.00 0.00 C ATOM 670 O GLN A 107 -9.981 0.104 4.389 1.00 0.00 O ATOM 671 CB GLN A 107 -12.801 0.763 3.529 1.00 0.00 C ATOM 672 CG GLN A 107 -14.304 0.831 3.459 1.00 0.00 C ATOM 673 CD GLN A 107 -14.847 2.230 3.667 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.522 3.133 2.747 1.00 0.00 O flip ATOM 675 NE2 GLN A 107 -15.549 2.499 4.641 1.00 0.00 N flip ATOM 0 H GLN A 107 -12.598 2.162 5.483 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.054 -0.545 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.384 1.761 3.391 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.425 0.145 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.633 0.461 2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.727 0.168 4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.774 1.775 5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.906 3.446 4.766 1.00 0.00 H new ATOM 684 N GLU A 108 -11.021 -1.806 4.956 1.00 0.00 N ATOM 685 CA GLU A 108 -9.812 -2.614 4.883 1.00 0.00 C ATOM 686 C GLU A 108 -9.592 -3.169 3.481 1.00 0.00 C ATOM 687 O GLU A 108 -10.539 -3.547 2.793 1.00 0.00 O ATOM 688 CB GLU A 108 -9.879 -3.752 5.897 1.00 0.00 C ATOM 689 CG GLU A 108 -10.127 -3.284 7.317 1.00 0.00 C ATOM 690 CD GLU A 108 -11.276 -4.013 7.985 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.026 -5.063 8.615 1.00 0.00 O ATOM 692 OE2 GLU A 108 -12.424 -3.536 7.878 1.00 0.00 O ATOM 0 H GLU A 108 -11.861 -2.324 5.216 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.965 -1.970 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.672 -4.441 5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.944 -4.311 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.221 -3.428 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.336 -2.214 7.311 1.00 0.00 H new ATOM 699 N GLY A 109 -8.329 -3.217 3.071 1.00 0.00 N ATOM 700 CA GLY A 109 -7.991 -3.727 1.757 1.00 0.00 C ATOM 701 C GLY A 109 -6.507 -3.627 1.467 1.00 0.00 C ATOM 702 O GLY A 109 -5.733 -3.156 2.299 1.00 0.00 O ATOM 0 H GLY A 109 -7.532 -2.910 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.305 -4.768 1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.545 -3.172 1.000 1.00 0.00 H new ATOM 706 N PHE A 110 -6.111 -4.071 0.284 1.00 0.00 N ATOM 707 CA PHE A 110 -4.719 -4.043 -0.123 1.00 0.00 C ATOM 708 C PHE A 110 -4.391 -2.748 -0.855 1.00 0.00 C ATOM 709 O PHE A 110 -5.188 -2.260 -1.657 1.00 0.00 O ATOM 710 CB PHE A 110 -4.430 -5.243 -1.019 1.00 0.00 C ATOM 711 CG PHE A 110 -3.848 -6.417 -0.285 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.431 -6.873 0.887 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.720 -7.062 -0.766 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.898 -7.953 1.565 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.184 -8.142 -0.091 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.773 -8.588 1.076 1.00 0.00 C ATOM 0 H PHE A 110 -6.744 -4.459 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.092 -4.093 0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.354 -5.552 -1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.740 -4.940 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.310 -6.380 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.255 -6.717 -1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.361 -8.300 2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.305 -8.637 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.355 -9.432 1.605 1.00 0.00 H new ATOM 726 N ILE A 111 -3.217 -2.194 -0.577 1.00 0.00 N ATOM 727 CA ILE A 111 -2.798 -0.953 -1.216 1.00 0.00 C ATOM 728 C ILE A 111 -1.357 -1.028 -1.711 1.00 0.00 C ATOM 729 O ILE A 111 -0.490 -1.626 -1.074 1.00 0.00 O ATOM 730 CB ILE A 111 -2.921 0.251 -0.259 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.993 0.061 0.943 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.362 0.442 0.186 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.447 1.355 1.505 1.00 0.00 C ATOM 0 H ILE A 111 -2.542 -2.582 0.082 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.466 -0.814 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.618 1.154 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.535 -0.465 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.159 -0.577 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.424 1.296 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.991 0.621 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.705 -0.454 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.798 1.138 2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.876 1.874 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.273 1.987 1.832 1.00 0.00 H new ATOM 745 N PRO A 112 -1.092 -0.389 -2.853 1.00 0.00 N ATOM 746 CA PRO A 112 0.237 -0.337 -3.449 1.00 0.00 C ATOM 747 C PRO A 112 1.275 0.165 -2.446 1.00 0.00 C ATOM 748 O PRO A 112 1.167 1.279 -1.934 1.00 0.00 O ATOM 749 CB PRO A 112 0.087 0.653 -4.615 1.00 0.00 C ATOM 750 CG PRO A 112 -1.254 1.289 -4.441 1.00 0.00 C ATOM 751 CD PRO A 112 -2.077 0.346 -3.634 1.00 0.00 C ATOM 0 HA PRO A 112 0.583 -1.319 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.880 1.401 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.155 0.140 -5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.163 2.251 -3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.720 1.479 -5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.781 0.876 -2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.662 -0.319 -4.269 1.00 0.00 H new ATOM 759 N PHE A 113 2.268 -0.670 -2.153 1.00 0.00 N ATOM 760 CA PHE A 113 3.309 -0.315 -1.190 1.00 0.00 C ATOM 761 C PHE A 113 4.012 0.995 -1.557 1.00 0.00 C ATOM 762 O PHE A 113 4.625 1.635 -0.702 1.00 0.00 O ATOM 763 CB PHE A 113 4.329 -1.454 -1.066 1.00 0.00 C ATOM 764 CG PHE A 113 5.355 -1.489 -2.169 1.00 0.00 C ATOM 765 CD1 PHE A 113 4.992 -1.248 -3.485 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.683 -1.762 -1.883 1.00 0.00 C ATOM 767 CE1 PHE A 113 5.935 -1.278 -4.495 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.630 -1.795 -2.890 1.00 0.00 C ATOM 769 CZ PHE A 113 7.255 -1.552 -4.197 1.00 0.00 C ATOM 0 H PHE A 113 2.375 -1.596 -2.567 1.00 0.00 H new ATOM 0 HA PHE A 113 2.823 -0.162 -0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.844 -1.363 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.795 -2.404 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.961 -1.034 -3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.982 -1.951 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.640 -1.087 -5.516 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.662 -2.011 -2.655 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.993 -1.576 -4.985 1.00 0.00 H new ATOM 779 N ASN A 114 3.930 1.390 -2.824 1.00 0.00 N ATOM 780 CA ASN A 114 4.568 2.621 -3.280 1.00 0.00 C ATOM 781 C ASN A 114 3.540 3.726 -3.505 1.00 0.00 C ATOM 782 O ASN A 114 3.673 4.532 -4.427 1.00 0.00 O ATOM 783 CB ASN A 114 5.347 2.365 -4.571 1.00 0.00 C ATOM 784 CG ASN A 114 4.555 1.549 -5.576 1.00 0.00 C ATOM 785 OD1 ASN A 114 3.386 1.234 -5.354 1.00 0.00 O ATOM 786 ND2 ASN A 114 5.192 1.203 -6.688 1.00 0.00 N ATOM 0 H ASN A 114 3.430 0.878 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 114 5.257 2.949 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.624 3.319 -5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.274 1.843 -4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.712 0.654 -7.401 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.162 1.486 -6.830 1.00 0.00 H new ATOM 793 N PHE A 115 2.510 3.751 -2.668 1.00 0.00 N ATOM 794 CA PHE A 115 1.451 4.749 -2.786 1.00 0.00 C ATOM 795 C PHE A 115 1.313 5.592 -1.521 1.00 0.00 C ATOM 796 O PHE A 115 0.682 6.649 -1.545 1.00 0.00 O ATOM 797 CB PHE A 115 0.124 4.053 -3.064 1.00 0.00 C ATOM 798 CG PHE A 115 -0.667 4.660 -4.187 1.00 0.00 C ATOM 799 CD1 PHE A 115 -1.394 5.822 -3.990 1.00 0.00 C ATOM 800 CD2 PHE A 115 -0.699 4.057 -5.433 1.00 0.00 C ATOM 801 CE1 PHE A 115 -2.136 6.371 -5.016 1.00 0.00 C ATOM 802 CE2 PHE A 115 -1.442 4.600 -6.461 1.00 0.00 C ATOM 803 CZ PHE A 115 -2.162 5.760 -6.254 1.00 0.00 C ATOM 0 H PHE A 115 2.384 3.092 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 115 1.717 5.414 -3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.318 3.006 -3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.480 4.072 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.380 6.304 -3.023 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.136 3.151 -5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.697 7.279 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.460 4.118 -7.427 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.743 6.188 -7.057 1.00 0.00 H new ATOM 813 N VAL A 116 1.865 5.115 -0.410 1.00 0.00 N ATOM 814 CA VAL A 116 1.744 5.838 0.850 1.00 0.00 C ATOM 815 C VAL A 116 3.083 6.097 1.527 1.00 0.00 C ATOM 816 O VAL A 116 4.041 5.338 1.373 1.00 0.00 O ATOM 817 CB VAL A 116 0.839 5.079 1.835 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.607 5.133 1.376 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.304 3.635 1.999 1.00 0.00 C ATOM 0 H VAL A 116 2.393 4.244 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 116 1.304 6.801 0.591 1.00 0.00 H new ATOM 0 HB VAL A 116 0.908 5.565 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.234 4.591 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.933 6.172 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.693 4.675 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.648 3.119 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.272 3.130 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.325 3.623 2.381 1.00 0.00 H new ATOM 829 N ALA A 117 3.117 7.178 2.302 1.00 0.00 N ATOM 830 CA ALA A 117 4.299 7.573 3.051 1.00 0.00 C ATOM 831 C ALA A 117 3.889 7.997 4.457 1.00 0.00 C ATOM 832 O ALA A 117 2.830 8.596 4.642 1.00 0.00 O ATOM 833 CB ALA A 117 5.030 8.702 2.339 1.00 0.00 C ATOM 0 H ALA A 117 2.321 7.804 2.426 1.00 0.00 H new ATOM 0 HA ALA A 117 4.981 6.725 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.912 8.984 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.335 8.369 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.367 9.562 2.245 1.00 0.00 H new ATOM 839 N LYS A 118 4.717 7.677 5.446 1.00 0.00 N ATOM 840 CA LYS A 118 4.425 8.014 6.840 1.00 0.00 C ATOM 841 C LYS A 118 3.800 9.401 6.975 1.00 0.00 C ATOM 842 O LYS A 118 4.215 10.345 6.304 1.00 0.00 O ATOM 843 CB LYS A 118 5.706 7.945 7.675 1.00 0.00 C ATOM 844 CG LYS A 118 6.306 6.552 7.755 1.00 0.00 C ATOM 845 CD LYS A 118 5.250 5.518 8.105 1.00 0.00 C ATOM 846 CE LYS A 118 5.847 4.125 8.228 1.00 0.00 C ATOM 847 NZ LYS A 118 6.867 4.053 9.312 1.00 0.00 N ATOM 0 H LYS A 118 5.599 7.183 5.310 1.00 0.00 H new ATOM 0 HA LYS A 118 3.702 7.285 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.444 8.625 7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.491 8.298 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.767 6.296 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.097 6.536 8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.769 5.792 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.475 5.516 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.053 3.406 8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.304 3.840 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.064 3.057 9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.743 4.517 8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.507 4.535 10.160 1.00 0.00 H new ATOM 861 N ALA A 119 2.799 9.512 7.850 1.00 0.00 N ATOM 862 CA ALA A 119 2.115 10.788 8.081 1.00 0.00 C ATOM 863 C ALA A 119 3.033 11.782 8.788 1.00 0.00 C ATOM 864 O ALA A 119 2.687 12.326 9.837 1.00 0.00 O ATOM 865 CB ALA A 119 0.841 10.586 8.899 1.00 0.00 C ATOM 0 H ALA A 119 2.444 8.737 8.410 1.00 0.00 H new ATOM 0 HA ALA A 119 1.844 11.195 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.353 11.548 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.166 9.920 8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.094 10.146 9.864 1.00 0.00 H new ATOM 871 N ASN A 120 4.205 12.017 8.208 1.00 0.00 N ATOM 872 CA ASN A 120 5.170 12.945 8.784 1.00 0.00 C ATOM 873 C ASN A 120 5.805 13.811 7.700 1.00 0.00 C ATOM 874 O ASN A 120 6.911 14.341 7.939 1.00 0.00 O ATOM 875 CB ASN A 120 6.255 12.178 9.546 1.00 0.00 C ATOM 876 CG ASN A 120 6.208 12.441 11.039 1.00 0.00 C ATOM 877 OD1 ASN A 120 5.885 11.553 11.827 1.00 0.00 O ATOM 878 ND2 ASN A 120 6.532 13.667 11.434 1.00 0.00 N ATOM 879 OXT ASN A 120 5.191 13.952 6.621 1.00 0.00 O ATOM 0 H ASN A 120 4.509 11.577 7.339 1.00 0.00 H new ATOM 0 HA ASN A 120 4.641 13.597 9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.137 11.110 9.364 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.235 12.461 9.161 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.519 13.903 12.426 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.794 14.372 10.745 1.00 0.00 H new TER 886 ASN A 120