USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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 16 SER OG : rot 180:sc= -0.706 USER MOD Set 1.2: A 20 ASN : amide:sc= -4.16! K(o=-4.9!,f=1.3) USER MOD Single : A 13 THR OG1 : rot 123:sc= -0.414 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 120:sc= 0.778 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0996 X(o=-0.1,f=-0.032) USER MOD Single : A 40 CYS SG : rot -80:sc= -1.05 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -3.93 K(o=-3.9,f=-5.1!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -123:sc= 0.00164 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -4.08! K(o=-4.1!,f=-1.5) USER MOD Single : A 58 THR OG1 : rot -51:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.28) USER MOD Single : A 61 LYS NZ :NH3+ -107:sc= -4.04! (180deg=-5.19!) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0995) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 72 ASN : amide:sc= -5.54! C(o=-5.5!,f=-9.6!) USER MOD Single : A 73 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.53) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 55:sc= 0.193 USER MOD Single : A 86 THR OG1 : rot -47:sc= 0.734 USER MOD Single : A 88 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.333) USER MOD Single : A 91 GLN : amide:sc= -1.65 X(o=-1.6,f=-2) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 104 THR OG1 : rot -35:sc= 0.101 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.768 K(o=-0.77,f=0.044) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -6.758 5.830 4.195 1.00 0.00 N ATOM 67 CA ASP A 8 -6.265 6.311 2.909 1.00 0.00 C ATOM 68 C ASP A 8 -5.601 5.183 2.125 1.00 0.00 C ATOM 69 O ASP A 8 -4.632 5.405 1.399 1.00 0.00 O ATOM 70 CB ASP A 8 -5.274 7.457 3.116 1.00 0.00 C ATOM 71 CG ASP A 8 -5.153 8.346 1.894 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.162 8.978 1.517 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.049 8.409 1.314 1.00 0.00 O ATOM 0 HA ASP A 8 -7.116 6.676 2.334 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.591 8.058 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.295 7.047 3.361 1.00 0.00 H new ATOM 78 N VAL A 9 -6.129 3.973 2.277 1.00 0.00 N ATOM 79 CA VAL A 9 -5.588 2.810 1.584 1.00 0.00 C ATOM 80 C VAL A 9 -6.226 2.644 0.209 1.00 0.00 C ATOM 81 O VAL A 9 -7.344 2.142 0.090 1.00 0.00 O ATOM 82 CB VAL A 9 -5.804 1.520 2.398 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.168 0.332 1.694 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.247 1.678 3.804 1.00 0.00 C ATOM 0 H VAL A 9 -6.931 3.772 2.874 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.518 2.981 1.467 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.875 1.335 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.331 -0.570 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.619 0.208 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.098 0.505 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.408 0.757 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.179 1.888 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.754 2.502 4.306 1.00 0.00 H new ATOM 94 N ILE A 10 -5.508 3.068 -0.825 1.00 0.00 N ATOM 95 CA ILE A 10 -6.004 2.965 -2.192 1.00 0.00 C ATOM 96 C ILE A 10 -5.857 1.543 -2.724 1.00 0.00 C ATOM 97 O ILE A 10 -4.831 0.897 -2.518 1.00 0.00 O ATOM 98 CB ILE A 10 -5.264 3.933 -3.134 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.398 5.371 -2.629 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.806 3.811 -4.551 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.413 6.328 -3.265 1.00 0.00 C ATOM 0 H ILE A 10 -4.581 3.486 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.060 3.233 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.207 3.668 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.411 5.723 -2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.258 5.383 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.273 4.501 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.665 2.791 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.869 4.053 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.565 7.329 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.396 6.000 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.568 6.345 -4.344 1.00 0.00 H new ATOM 113 N GLU A 11 -6.889 1.065 -3.412 1.00 0.00 N ATOM 114 CA GLU A 11 -6.873 -0.280 -3.975 1.00 0.00 C ATOM 115 C GLU A 11 -6.522 -0.245 -5.459 1.00 0.00 C ATOM 116 O GLU A 11 -7.141 0.482 -6.238 1.00 0.00 O ATOM 117 CB GLU A 11 -8.232 -0.956 -3.777 1.00 0.00 C ATOM 118 CG GLU A 11 -8.238 -2.430 -4.146 1.00 0.00 C ATOM 119 CD GLU A 11 -9.448 -3.163 -3.601 1.00 0.00 C ATOM 120 OE1 GLU A 11 -9.632 -3.169 -2.366 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.211 -3.730 -4.411 1.00 0.00 O ATOM 0 H GLU A 11 -7.746 1.588 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.109 -0.856 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.533 -0.850 -2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.978 -0.436 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.216 -2.529 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.331 -2.900 -3.765 1.00 0.00 H new ATOM 128 N LEU A 12 -5.525 -1.034 -5.844 1.00 0.00 N ATOM 129 CA LEU A 12 -5.090 -1.093 -7.235 1.00 0.00 C ATOM 130 C LEU A 12 -5.227 -2.508 -7.789 1.00 0.00 C ATOM 131 O LEU A 12 -5.408 -3.466 -7.037 1.00 0.00 O ATOM 132 CB LEU A 12 -3.639 -0.624 -7.357 1.00 0.00 C ATOM 133 CG LEU A 12 -3.324 0.745 -6.753 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.820 0.952 -6.655 1.00 0.00 C ATOM 135 CD2 LEU A 12 -3.963 1.852 -7.578 1.00 0.00 C ATOM 0 H LEU A 12 -5.003 -1.642 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.730 -0.431 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.997 -1.365 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.372 -0.603 -8.414 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.742 0.781 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.615 1.931 -6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.387 0.178 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.379 0.895 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.728 2.819 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.575 1.817 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.044 1.714 -7.597 1.00 0.00 H new ATOM 147 N THR A 13 -5.136 -2.633 -9.109 1.00 0.00 N ATOM 148 CA THR A 13 -5.249 -3.930 -9.764 1.00 0.00 C ATOM 149 C THR A 13 -4.135 -4.129 -10.785 1.00 0.00 C ATOM 150 O THR A 13 -3.370 -3.207 -11.071 1.00 0.00 O ATOM 151 CB THR A 13 -6.609 -4.088 -10.468 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.833 -2.985 -11.354 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.739 -4.166 -9.452 1.00 0.00 C ATOM 0 H THR A 13 -4.984 -1.851 -9.746 1.00 0.00 H new ATOM 0 HA THR A 13 -5.163 -4.686 -8.984 1.00 0.00 H new ATOM 0 HB THR A 13 -6.591 -5.016 -11.040 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.984 -3.320 -12.262 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.690 -4.277 -9.973 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.581 -5.023 -8.798 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.756 -3.253 -8.856 1.00 0.00 H new ATOM 161 N ASP A 14 -4.049 -5.336 -11.332 1.00 0.00 N ATOM 162 CA ASP A 14 -3.029 -5.656 -12.324 1.00 0.00 C ATOM 163 C ASP A 14 -2.932 -4.556 -13.378 1.00 0.00 C ATOM 164 O ASP A 14 -1.840 -4.210 -13.829 1.00 0.00 O ATOM 165 CB ASP A 14 -3.340 -6.995 -12.994 1.00 0.00 C ATOM 166 CG ASP A 14 -4.702 -7.008 -13.658 1.00 0.00 C ATOM 167 OD1 ASP A 14 -4.787 -6.632 -14.845 1.00 0.00 O ATOM 168 OD2 ASP A 14 -5.685 -7.393 -12.989 1.00 0.00 O ATOM 0 H ASP A 14 -4.674 -6.110 -11.105 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.070 -5.730 -11.812 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.574 -7.212 -13.739 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.295 -7.790 -12.249 1.00 0.00 H new ATOM 173 N ASP A 15 -4.080 -4.013 -13.765 1.00 0.00 N ATOM 174 CA ASP A 15 -4.125 -2.953 -14.765 1.00 0.00 C ATOM 175 C ASP A 15 -4.143 -1.579 -14.101 1.00 0.00 C ATOM 176 O ASP A 15 -3.508 -0.639 -14.580 1.00 0.00 O ATOM 177 CB ASP A 15 -5.356 -3.117 -15.658 1.00 0.00 C ATOM 178 CG ASP A 15 -5.450 -2.038 -16.719 1.00 0.00 C ATOM 179 OD1 ASP A 15 -5.867 -0.910 -16.383 1.00 0.00 O ATOM 180 OD2 ASP A 15 -5.107 -2.321 -17.886 1.00 0.00 O ATOM 0 H ASP A 15 -4.992 -4.289 -13.402 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.227 -3.028 -15.379 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.324 -4.094 -16.140 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.254 -3.095 -15.041 1.00 0.00 H new ATOM 185 N SER A 16 -4.875 -1.471 -12.997 1.00 0.00 N ATOM 186 CA SER A 16 -4.980 -0.211 -12.270 1.00 0.00 C ATOM 187 C SER A 16 -3.802 -0.035 -11.317 1.00 0.00 C ATOM 188 O SER A 16 -3.851 0.780 -10.395 1.00 0.00 O ATOM 189 CB SER A 16 -6.295 -0.156 -11.490 1.00 0.00 C ATOM 190 OG SER A 16 -6.745 1.180 -11.345 1.00 0.00 O ATOM 0 H SER A 16 -5.404 -2.240 -12.586 1.00 0.00 H new ATOM 0 HA SER A 16 -4.963 0.602 -12.996 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.053 -0.745 -12.007 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.158 -0.606 -10.507 1.00 0.00 H new ATOM 0 HG SER A 16 -7.587 1.189 -10.844 1.00 0.00 H new ATOM 196 N PHE A 17 -2.743 -0.805 -11.546 1.00 0.00 N ATOM 197 CA PHE A 17 -1.552 -0.735 -10.708 1.00 0.00 C ATOM 198 C PHE A 17 -0.457 0.084 -11.385 1.00 0.00 C ATOM 199 O PHE A 17 0.309 0.784 -10.723 1.00 0.00 O ATOM 200 CB PHE A 17 -1.036 -2.143 -10.401 1.00 0.00 C ATOM 201 CG PHE A 17 0.401 -2.172 -9.964 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.417 -1.873 -10.857 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.736 -2.499 -8.660 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.740 -1.901 -10.458 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.057 -2.527 -8.254 1.00 0.00 C ATOM 206 CZ PHE A 17 3.060 -2.227 -9.155 1.00 0.00 C ATOM 0 H PHE A 17 -2.686 -1.484 -12.305 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.824 -0.243 -9.774 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.654 -2.586 -9.620 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.150 -2.765 -11.289 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.172 -1.615 -11.877 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.045 -2.735 -7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.523 -1.668 -11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.304 -2.783 -7.234 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.093 -2.247 -8.841 1.00 0.00 H new ATOM 216 N ASP A 18 -0.389 -0.011 -12.708 1.00 0.00 N ATOM 217 CA ASP A 18 0.611 0.721 -13.477 1.00 0.00 C ATOM 218 C ASP A 18 0.098 2.107 -13.855 1.00 0.00 C ATOM 219 O ASP A 18 0.741 3.118 -13.571 1.00 0.00 O ATOM 220 CB ASP A 18 0.987 -0.059 -14.738 1.00 0.00 C ATOM 221 CG ASP A 18 1.381 -1.492 -14.436 1.00 0.00 C ATOM 222 OD1 ASP A 18 0.487 -2.364 -14.428 1.00 0.00 O ATOM 223 OD2 ASP A 18 2.583 -1.741 -14.209 1.00 0.00 O ATOM 0 H ASP A 18 -1.014 -0.588 -13.271 1.00 0.00 H new ATOM 0 HA ASP A 18 1.498 0.839 -12.854 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.144 -0.055 -15.429 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.813 0.444 -15.240 1.00 0.00 H new ATOM 228 N LYS A 19 -1.063 2.147 -14.500 1.00 0.00 N ATOM 229 CA LYS A 19 -1.663 3.409 -14.918 1.00 0.00 C ATOM 230 C LYS A 19 -1.868 4.336 -13.724 1.00 0.00 C ATOM 231 O LYS A 19 -2.134 5.525 -13.889 1.00 0.00 O ATOM 232 CB LYS A 19 -3.002 3.154 -15.614 1.00 0.00 C ATOM 233 CG LYS A 19 -4.126 2.793 -14.658 1.00 0.00 C ATOM 234 CD LYS A 19 -4.867 4.029 -14.177 1.00 0.00 C ATOM 235 CE LYS A 19 -6.319 3.715 -13.847 1.00 0.00 C ATOM 236 NZ LYS A 19 -7.193 3.807 -15.049 1.00 0.00 N ATOM 0 H LYS A 19 -1.607 1.320 -14.745 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.982 3.892 -15.618 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.286 4.044 -16.175 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.878 2.348 -16.337 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.824 2.119 -15.154 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.718 2.256 -13.802 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.371 4.431 -13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.826 4.801 -14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.387 2.713 -13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.676 4.407 -13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.174 3.586 -14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.148 4.771 -15.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.868 3.129 -15.767 1.00 0.00 H new ATOM 250 N ASN A 20 -1.739 3.783 -12.522 1.00 0.00 N ATOM 251 CA ASN A 20 -1.909 4.562 -11.301 1.00 0.00 C ATOM 252 C ASN A 20 -0.559 4.873 -10.662 1.00 0.00 C ATOM 253 O ASN A 20 -0.397 5.894 -9.993 1.00 0.00 O ATOM 254 CB ASN A 20 -2.793 3.805 -10.308 1.00 0.00 C ATOM 255 CG ASN A 20 -4.270 3.951 -10.621 1.00 0.00 C ATOM 256 OD1 ASN A 20 -4.902 4.936 -10.239 1.00 0.00 O ATOM 257 ND2 ASN A 20 -4.826 2.968 -11.319 1.00 0.00 N ATOM 0 H ASN A 20 -1.518 2.799 -12.368 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.392 5.503 -11.564 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.525 2.749 -10.319 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.600 4.173 -9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.816 3.010 -11.560 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.263 2.171 -11.615 1.00 0.00 H new ATOM 264 N VAL A 21 0.409 3.986 -10.874 1.00 0.00 N ATOM 265 CA VAL A 21 1.746 4.166 -10.320 1.00 0.00 C ATOM 266 C VAL A 21 2.712 4.688 -11.378 1.00 0.00 C ATOM 267 O VAL A 21 3.209 5.810 -11.281 1.00 0.00 O ATOM 268 CB VAL A 21 2.296 2.849 -9.743 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.766 2.998 -9.380 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.481 2.417 -8.533 1.00 0.00 C ATOM 0 H VAL A 21 0.292 3.136 -11.425 1.00 0.00 H new ATOM 0 HA VAL A 21 1.661 4.898 -9.517 1.00 0.00 H new ATOM 0 HB VAL A 21 2.211 2.075 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.138 2.057 -8.974 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.336 3.259 -10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.879 3.785 -8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.883 1.484 -8.138 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.533 3.189 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.442 2.268 -8.828 1.00 0.00 H new ATOM 280 N LEU A 22 2.974 3.866 -12.388 1.00 0.00 N ATOM 281 CA LEU A 22 3.882 4.244 -13.466 1.00 0.00 C ATOM 282 C LEU A 22 3.469 5.576 -14.084 1.00 0.00 C ATOM 283 O LEU A 22 4.303 6.453 -14.307 1.00 0.00 O ATOM 284 CB LEU A 22 3.909 3.156 -14.541 1.00 0.00 C ATOM 285 CG LEU A 22 4.327 1.762 -14.075 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.636 0.871 -15.268 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.529 1.848 -13.146 1.00 0.00 C ATOM 0 H LEU A 22 2.571 2.934 -12.483 1.00 0.00 H new ATOM 0 HA LEU A 22 4.881 4.355 -13.045 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.915 3.086 -14.984 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.589 3.472 -15.332 1.00 0.00 H new ATOM 0 HG LEU A 22 3.497 1.321 -13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.932 -0.118 -14.917 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.749 0.783 -15.896 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.449 1.308 -15.848 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.813 0.846 -12.824 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.364 2.310 -13.673 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.273 2.450 -12.274 1.00 0.00 H new ATOM 299 N ASP A 23 2.177 5.721 -14.355 1.00 0.00 N ATOM 300 CA ASP A 23 1.652 6.947 -14.944 1.00 0.00 C ATOM 301 C ASP A 23 1.516 8.041 -13.890 1.00 0.00 C ATOM 302 O ASP A 23 0.957 9.106 -14.154 1.00 0.00 O ATOM 303 CB ASP A 23 0.296 6.683 -15.601 1.00 0.00 C ATOM 304 CG ASP A 23 -0.097 7.774 -16.578 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.685 8.041 -17.515 1.00 0.00 O ATOM 306 OD2 ASP A 23 -1.185 8.361 -16.405 1.00 0.00 O ATOM 0 H ASP A 23 1.474 5.004 -14.176 1.00 0.00 H new ATOM 0 HA ASP A 23 2.355 7.286 -15.705 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.329 5.727 -16.123 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.468 6.599 -14.828 1.00 0.00 H new ATOM 311 N SER A 24 2.030 7.771 -12.694 1.00 0.00 N ATOM 312 CA SER A 24 1.961 8.730 -11.598 1.00 0.00 C ATOM 313 C SER A 24 3.359 9.093 -11.106 1.00 0.00 C ATOM 314 O SER A 24 4.053 8.269 -10.512 1.00 0.00 O ATOM 315 CB SER A 24 1.134 8.160 -10.444 1.00 0.00 C ATOM 316 OG SER A 24 1.060 9.079 -9.368 1.00 0.00 O ATOM 0 H SER A 24 2.499 6.896 -12.460 1.00 0.00 H new ATOM 0 HA SER A 24 1.478 9.634 -11.969 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.129 7.924 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.579 7.227 -10.099 1.00 0.00 H new ATOM 0 HG SER A 24 0.123 9.310 -9.199 1.00 0.00 H new ATOM 322 N GLU A 25 3.764 10.334 -11.358 1.00 0.00 N ATOM 323 CA GLU A 25 5.080 10.807 -10.942 1.00 0.00 C ATOM 324 C GLU A 25 5.235 10.719 -9.426 1.00 0.00 C ATOM 325 O GLU A 25 6.347 10.771 -8.902 1.00 0.00 O ATOM 326 CB GLU A 25 5.298 12.249 -11.405 1.00 0.00 C ATOM 327 CG GLU A 25 4.328 13.240 -10.786 1.00 0.00 C ATOM 328 CD GLU A 25 4.778 14.679 -10.951 1.00 0.00 C ATOM 329 OE1 GLU A 25 5.621 15.133 -10.149 1.00 0.00 O ATOM 330 OE2 GLU A 25 4.288 15.350 -11.884 1.00 0.00 O ATOM 0 H GLU A 25 3.201 11.029 -11.848 1.00 0.00 H new ATOM 0 HA GLU A 25 5.831 10.167 -11.405 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.317 12.550 -11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.204 12.291 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.346 13.116 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.216 13.018 -9.725 1.00 0.00 H new ATOM 337 N ASP A 26 4.112 10.585 -8.730 1.00 0.00 N ATOM 338 CA ASP A 26 4.122 10.489 -7.275 1.00 0.00 C ATOM 339 C ASP A 26 4.480 9.076 -6.826 1.00 0.00 C ATOM 340 O ASP A 26 4.287 8.111 -7.565 1.00 0.00 O ATOM 341 CB ASP A 26 2.759 10.888 -6.707 1.00 0.00 C ATOM 342 CG ASP A 26 2.129 12.039 -7.466 1.00 0.00 C ATOM 343 OD1 ASP A 26 2.782 13.097 -7.590 1.00 0.00 O ATOM 344 OD2 ASP A 26 0.984 11.883 -7.938 1.00 0.00 O ATOM 0 H ASP A 26 3.183 10.540 -9.149 1.00 0.00 H new ATOM 0 HA ASP A 26 4.880 11.174 -6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.090 10.028 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.873 11.167 -5.659 1.00 0.00 H new ATOM 349 N VAL A 27 5.003 8.962 -5.609 1.00 0.00 N ATOM 350 CA VAL A 27 5.389 7.667 -5.061 1.00 0.00 C ATOM 351 C VAL A 27 4.163 6.825 -4.726 1.00 0.00 C ATOM 352 O VAL A 27 3.148 7.345 -4.263 1.00 0.00 O ATOM 353 CB VAL A 27 6.250 7.827 -3.794 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.488 6.477 -3.136 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.569 8.506 -4.129 1.00 0.00 C ATOM 0 H VAL A 27 5.169 9.751 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 27 5.976 7.161 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 27 5.712 8.459 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.098 6.610 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.532 6.033 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.005 5.818 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.165 8.611 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.115 7.903 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.374 9.492 -4.551 1.00 0.00 H new ATOM 365 N TRP A 28 4.264 5.522 -4.963 1.00 0.00 N ATOM 366 CA TRP A 28 3.163 4.607 -4.686 1.00 0.00 C ATOM 367 C TRP A 28 3.647 3.396 -3.895 1.00 0.00 C ATOM 368 O TRP A 28 4.399 2.569 -4.409 1.00 0.00 O ATOM 369 CB TRP A 28 2.510 4.151 -5.992 1.00 0.00 C ATOM 370 CG TRP A 28 1.530 5.142 -6.544 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.804 6.189 -7.376 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.120 5.178 -6.301 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.649 6.875 -7.665 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.399 6.274 -7.019 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.756 4.390 -5.549 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.752 6.600 -7.003 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.099 4.716 -5.534 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.587 5.812 -6.258 1.00 0.00 C ATOM 0 H TRP A 28 5.097 5.075 -5.346 1.00 0.00 H new ATOM 0 HA TRP A 28 2.425 5.138 -4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.287 3.968 -6.734 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.000 3.202 -5.823 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.785 6.441 -7.752 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.583 7.698 -8.264 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.390 3.542 -4.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.130 7.445 -7.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.784 4.116 -4.954 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.642 6.039 -6.228 1.00 0.00 H new ATOM 389 N MET A 29 3.209 3.299 -2.644 1.00 0.00 N ATOM 390 CA MET A 29 3.598 2.188 -1.784 1.00 0.00 C ATOM 391 C MET A 29 2.594 1.044 -1.887 1.00 0.00 C ATOM 392 O MET A 29 1.523 1.088 -1.281 1.00 0.00 O ATOM 393 CB MET A 29 3.710 2.654 -0.331 1.00 0.00 C ATOM 394 CG MET A 29 5.028 3.340 -0.013 1.00 0.00 C ATOM 395 SD MET A 29 5.192 3.755 1.734 1.00 0.00 S ATOM 396 CE MET A 29 6.406 2.546 2.256 1.00 0.00 C ATOM 0 H MET A 29 2.585 3.976 -2.204 1.00 0.00 H new ATOM 0 HA MET A 29 4.571 1.826 -2.118 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.891 3.340 -0.114 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.589 1.794 0.328 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.852 2.689 -0.307 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.112 4.249 -0.608 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.614 2.674 3.318 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.019 1.542 2.081 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.325 2.684 1.687 1.00 0.00 H new ATOM 406 N VAL A 30 2.947 0.020 -2.658 1.00 0.00 N ATOM 407 CA VAL A 30 2.077 -1.136 -2.839 1.00 0.00 C ATOM 408 C VAL A 30 2.345 -2.197 -1.778 1.00 0.00 C ATOM 409 O VAL A 30 3.480 -2.637 -1.600 1.00 0.00 O ATOM 410 CB VAL A 30 2.260 -1.763 -4.234 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.484 -3.067 -4.339 1.00 0.00 C ATOM 412 CG2 VAL A 30 1.826 -0.786 -5.317 1.00 0.00 C ATOM 0 H VAL A 30 3.829 -0.032 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 30 1.052 -0.779 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 30 3.317 -1.985 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.625 -3.495 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.846 -3.767 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.424 -2.874 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.962 -1.245 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.775 -0.532 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.430 0.119 -5.254 1.00 0.00 H new ATOM 422 N GLU A 31 1.292 -2.605 -1.077 1.00 0.00 N ATOM 423 CA GLU A 31 1.414 -3.615 -0.033 1.00 0.00 C ATOM 424 C GLU A 31 0.528 -4.820 -0.334 1.00 0.00 C ATOM 425 O GLU A 31 -0.698 -4.739 -0.251 1.00 0.00 O ATOM 426 CB GLU A 31 1.042 -3.022 1.328 1.00 0.00 C ATOM 427 CG GLU A 31 1.177 -4.006 2.478 1.00 0.00 C ATOM 428 CD GLU A 31 1.277 -3.318 3.826 1.00 0.00 C ATOM 429 OE1 GLU A 31 0.230 -2.877 4.345 1.00 0.00 O ATOM 430 OE2 GLU A 31 2.401 -3.222 4.361 1.00 0.00 O ATOM 0 H GLU A 31 0.345 -2.252 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 31 2.452 -3.947 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.677 -2.158 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.014 -2.661 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.318 -4.677 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.063 -4.622 2.322 1.00 0.00 H new ATOM 437 N PHE A 32 1.156 -5.936 -0.686 1.00 0.00 N ATOM 438 CA PHE A 32 0.426 -7.158 -1.003 1.00 0.00 C ATOM 439 C PHE A 32 -0.014 -7.874 0.271 1.00 0.00 C ATOM 440 O PHE A 32 0.777 -8.059 1.197 1.00 0.00 O ATOM 441 CB PHE A 32 1.292 -8.090 -1.852 1.00 0.00 C ATOM 442 CG PHE A 32 1.764 -7.467 -3.135 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.817 -6.567 -3.136 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.154 -7.781 -4.339 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.253 -5.991 -4.315 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.586 -7.209 -5.521 1.00 0.00 C ATOM 447 CZ PHE A 32 2.637 -6.314 -5.509 1.00 0.00 C ATOM 0 H PHE A 32 2.170 -6.020 -0.759 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.463 -6.883 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.158 -8.400 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.724 -8.991 -2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.303 -6.312 -2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.331 -8.481 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.074 -5.289 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.102 -7.462 -6.453 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.977 -5.867 -6.431 1.00 0.00 H new ATOM 457 N TYR A 33 -1.279 -8.275 0.311 1.00 0.00 N ATOM 458 CA TYR A 33 -1.826 -8.968 1.471 1.00 0.00 C ATOM 459 C TYR A 33 -2.845 -10.021 1.047 1.00 0.00 C ATOM 460 O TYR A 33 -3.354 -9.992 -0.073 1.00 0.00 O ATOM 461 CB TYR A 33 -2.477 -7.969 2.429 1.00 0.00 C ATOM 462 CG TYR A 33 -3.886 -7.585 2.038 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.940 -8.476 2.202 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.164 -6.333 1.504 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.229 -8.130 1.845 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.450 -5.978 1.146 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.479 -6.880 1.319 1.00 0.00 C ATOM 468 OH TYR A 33 -7.762 -6.531 0.962 1.00 0.00 O ATOM 0 H TYR A 33 -1.946 -8.132 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.004 -9.469 1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.491 -8.396 3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.863 -7.069 2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.748 -9.455 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.360 -5.625 1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.037 -8.835 1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.649 -5.000 0.733 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.766 -5.617 0.609 1.00 0.00 H new ATOM 478 N ALA A 34 -3.139 -10.949 1.952 1.00 0.00 N ATOM 479 CA ALA A 34 -4.100 -12.010 1.674 1.00 0.00 C ATOM 480 C ALA A 34 -5.226 -12.013 2.701 1.00 0.00 C ATOM 481 O ALA A 34 -5.007 -11.831 3.899 1.00 0.00 O ATOM 482 CB ALA A 34 -3.401 -13.361 1.649 1.00 0.00 C ATOM 0 H ALA A 34 -2.726 -10.988 2.884 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.539 -11.822 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.130 -14.144 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.636 -13.361 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.935 -13.548 2.617 1.00 0.00 H new ATOM 488 N PRO A 35 -6.462 -12.225 2.225 1.00 0.00 N ATOM 489 CA PRO A 35 -7.648 -12.257 3.086 1.00 0.00 C ATOM 490 C PRO A 35 -7.678 -13.488 3.986 1.00 0.00 C ATOM 491 O PRO A 35 -8.496 -13.579 4.901 1.00 0.00 O ATOM 492 CB PRO A 35 -8.809 -12.294 2.090 1.00 0.00 C ATOM 493 CG PRO A 35 -8.231 -12.899 0.857 1.00 0.00 C ATOM 494 CD PRO A 35 -6.797 -12.450 0.809 1.00 0.00 C ATOM 0 HA PRO A 35 -7.680 -11.407 3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.639 -12.889 2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.196 -11.294 1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.299 -13.986 0.887 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.773 -12.570 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.154 -13.207 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.680 -11.541 0.219 1.00 0.00 H new ATOM 502 N TRP A 36 -6.781 -14.430 3.720 1.00 0.00 N ATOM 503 CA TRP A 36 -6.705 -15.656 4.507 1.00 0.00 C ATOM 504 C TRP A 36 -5.387 -15.734 5.268 1.00 0.00 C ATOM 505 O TRP A 36 -4.950 -16.816 5.662 1.00 0.00 O ATOM 506 CB TRP A 36 -6.857 -16.879 3.600 1.00 0.00 C ATOM 507 CG TRP A 36 -6.224 -16.702 2.253 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.866 -16.622 1.050 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.825 -16.585 1.973 1.00 0.00 C ATOM 510 NE1 TRP A 36 -5.950 -16.462 0.039 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.691 -16.436 0.578 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.673 -16.590 2.763 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.451 -16.295 -0.039 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.443 -16.450 2.149 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.340 -16.303 0.760 1.00 0.00 C ATOM 0 H TRP A 36 -6.096 -14.369 2.966 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.520 -15.645 5.230 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.412 -17.744 4.092 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.917 -17.096 3.470 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.936 -16.677 0.914 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.172 -16.376 -0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.742 -16.701 3.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.369 -16.183 -1.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.546 -16.454 2.750 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.364 -16.194 0.310 1.00 0.00 H new ATOM 526 N CYS A 37 -4.758 -14.581 5.473 1.00 0.00 N ATOM 527 CA CYS A 37 -3.488 -14.520 6.187 1.00 0.00 C ATOM 528 C CYS A 37 -3.587 -13.589 7.391 1.00 0.00 C ATOM 529 O CYS A 37 -3.882 -12.403 7.250 1.00 0.00 O ATOM 530 CB CYS A 37 -2.375 -14.046 5.251 1.00 0.00 C ATOM 531 SG CYS A 37 -0.722 -14.602 5.729 1.00 0.00 S ATOM 0 H CYS A 37 -5.107 -13.677 5.155 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.250 -15.522 6.543 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.588 -14.400 4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.384 -12.957 5.215 1.00 0.00 H new ATOM 0 HG CYS A 37 0.150 -14.153 4.876 1.00 0.00 H new ATOM 537 N GLY A 38 -3.339 -14.136 8.578 1.00 0.00 N ATOM 538 CA GLY A 38 -3.407 -13.341 9.790 1.00 0.00 C ATOM 539 C GLY A 38 -2.377 -12.230 9.813 1.00 0.00 C ATOM 540 O GLY A 38 -2.698 -11.081 10.121 1.00 0.00 O ATOM 0 H GLY A 38 -3.092 -15.115 8.721 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.404 -12.910 9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.258 -13.988 10.654 1.00 0.00 H new ATOM 544 N HIS A 39 -1.134 -12.570 9.488 1.00 0.00 N ATOM 545 CA HIS A 39 -0.052 -11.592 9.474 1.00 0.00 C ATOM 546 C HIS A 39 -0.481 -10.318 8.752 1.00 0.00 C ATOM 547 O HIS A 39 0.107 -9.254 8.949 1.00 0.00 O ATOM 548 CB HIS A 39 1.188 -12.181 8.799 1.00 0.00 C ATOM 549 CG HIS A 39 1.705 -13.416 9.470 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.590 -13.384 10.527 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.456 -14.724 9.230 1.00 0.00 C ATOM 552 CE1 HIS A 39 2.864 -14.619 10.907 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.188 -15.451 10.136 1.00 0.00 N ATOM 0 H HIS A 39 -0.851 -13.516 9.231 1.00 0.00 H new ATOM 0 HA HIS A 39 0.190 -11.340 10.506 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.951 -12.414 7.761 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.976 -11.428 8.785 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.803 -15.122 8.468 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.528 -14.900 11.711 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.207 -16.469 10.203 1.00 0.00 H new ATOM 562 N CYS A 40 -1.507 -10.434 7.917 1.00 0.00 N ATOM 563 CA CYS A 40 -2.014 -9.291 7.165 1.00 0.00 C ATOM 564 C CYS A 40 -3.160 -8.615 7.911 1.00 0.00 C ATOM 565 O CYS A 40 -3.154 -7.400 8.110 1.00 0.00 O ATOM 566 CB CYS A 40 -2.483 -9.735 5.779 1.00 0.00 C ATOM 567 SG CYS A 40 -1.148 -10.272 4.685 1.00 0.00 S ATOM 0 H CYS A 40 -2.004 -11.307 7.743 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.203 -8.571 7.053 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.196 -10.552 5.893 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.016 -8.910 5.306 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.564 -9.231 4.170 1.00 0.00 H new ATOM 573 N LYS A 41 -4.143 -9.409 8.320 1.00 0.00 N ATOM 574 CA LYS A 41 -5.297 -8.888 9.044 1.00 0.00 C ATOM 575 C LYS A 41 -4.863 -7.896 10.118 1.00 0.00 C ATOM 576 O LYS A 41 -5.521 -6.880 10.339 1.00 0.00 O ATOM 577 CB LYS A 41 -6.085 -10.035 9.682 1.00 0.00 C ATOM 578 CG LYS A 41 -5.646 -10.359 11.099 1.00 0.00 C ATOM 579 CD LYS A 41 -6.578 -11.365 11.755 1.00 0.00 C ATOM 580 CE LYS A 41 -7.768 -10.678 12.408 1.00 0.00 C ATOM 581 NZ LYS A 41 -8.624 -11.642 13.152 1.00 0.00 N ATOM 0 H LYS A 41 -4.164 -10.417 8.163 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.937 -8.368 8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.144 -9.778 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.977 -10.927 9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.631 -10.757 11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.621 -9.444 11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.932 -12.076 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.030 -11.936 12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.412 -9.906 13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.363 -10.178 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.424 -11.136 13.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.984 -12.364 12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.063 -12.101 13.898 1.00 0.00 H new ATOM 595 N ASN A 42 -3.752 -8.197 10.781 1.00 0.00 N ATOM 596 CA ASN A 42 -3.230 -7.330 11.831 1.00 0.00 C ATOM 597 C ASN A 42 -2.617 -6.065 11.238 1.00 0.00 C ATOM 598 O ASN A 42 -2.619 -5.007 11.868 1.00 0.00 O ATOM 599 CB ASN A 42 -2.184 -8.075 12.663 1.00 0.00 C ATOM 600 CG ASN A 42 -0.920 -8.366 11.877 1.00 0.00 C ATOM 601 OD1 ASN A 42 -0.685 -9.499 11.455 1.00 0.00 O ATOM 602 ND2 ASN A 42 -0.099 -7.342 11.676 1.00 0.00 N ATOM 0 H ASN A 42 -3.196 -9.035 10.610 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.060 -7.042 12.476 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.933 -7.482 13.542 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.609 -9.012 13.022 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.767 -7.477 11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.334 -6.420 12.044 1.00 0.00 H new ATOM 609 N LEU A 43 -2.094 -6.181 10.023 1.00 0.00 N ATOM 610 CA LEU A 43 -1.478 -5.047 9.343 1.00 0.00 C ATOM 611 C LEU A 43 -2.532 -4.190 8.650 1.00 0.00 C ATOM 612 O LEU A 43 -2.289 -3.025 8.335 1.00 0.00 O ATOM 613 CB LEU A 43 -0.450 -5.536 8.321 1.00 0.00 C ATOM 614 CG LEU A 43 0.153 -4.466 7.411 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.231 -3.685 8.147 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.720 -5.098 6.148 1.00 0.00 C ATOM 0 H LEU A 43 -2.084 -7.049 9.488 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.974 -4.436 10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.361 -6.027 8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.922 -6.293 7.695 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.638 -3.773 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.649 -2.928 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.797 -3.201 9.022 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.021 -4.366 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.145 -4.322 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.498 -5.813 6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.076 -5.613 5.610 1.00 0.00 H new ATOM 628 N GLU A 44 -3.704 -4.774 8.418 1.00 0.00 N ATOM 629 CA GLU A 44 -4.795 -4.062 7.763 1.00 0.00 C ATOM 630 C GLU A 44 -4.944 -2.653 8.332 1.00 0.00 C ATOM 631 O GLU A 44 -4.904 -1.658 7.609 1.00 0.00 O ATOM 632 CB GLU A 44 -6.107 -4.832 7.929 1.00 0.00 C ATOM 633 CG GLU A 44 -7.340 -3.944 7.903 1.00 0.00 C ATOM 634 CD GLU A 44 -7.661 -3.431 6.513 1.00 0.00 C ATOM 635 OE1 GLU A 44 -6.729 -2.977 5.818 1.00 0.00 O ATOM 636 OE2 GLU A 44 -8.846 -3.484 6.120 1.00 0.00 O ATOM 0 H GLU A 44 -3.922 -5.737 8.674 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.559 -3.984 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.187 -5.574 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.082 -5.377 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.194 -4.503 8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.187 -3.097 8.572 1.00 0.00 H new ATOM 643 N PRO A 45 -5.121 -2.567 9.658 1.00 0.00 N ATOM 644 CA PRO A 45 -5.279 -1.286 10.354 1.00 0.00 C ATOM 645 C PRO A 45 -3.989 -0.474 10.374 1.00 0.00 C ATOM 646 O PRO A 45 -3.999 0.729 10.115 1.00 0.00 O ATOM 647 CB PRO A 45 -5.673 -1.700 11.774 1.00 0.00 C ATOM 648 CG PRO A 45 -5.109 -3.069 11.939 1.00 0.00 C ATOM 649 CD PRO A 45 -5.179 -3.712 10.582 1.00 0.00 C ATOM 0 HA PRO A 45 -6.011 -0.644 9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.265 -1.012 12.515 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.756 -1.700 11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.081 -3.027 12.298 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.679 -3.640 12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.350 -4.401 10.421 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.098 -4.284 10.455 1.00 0.00 H new ATOM 657 N GLU A 46 -2.880 -1.140 10.682 1.00 0.00 N ATOM 658 CA GLU A 46 -1.582 -0.477 10.736 1.00 0.00 C ATOM 659 C GLU A 46 -1.303 0.278 9.440 1.00 0.00 C ATOM 660 O GLU A 46 -0.845 1.421 9.462 1.00 0.00 O ATOM 661 CB GLU A 46 -0.473 -1.500 10.992 1.00 0.00 C ATOM 662 CG GLU A 46 -0.453 -2.032 12.415 1.00 0.00 C ATOM 663 CD GLU A 46 -1.836 -2.093 13.035 1.00 0.00 C ATOM 664 OE1 GLU A 46 -2.503 -1.039 13.099 1.00 0.00 O ATOM 665 OE2 GLU A 46 -2.251 -3.193 13.456 1.00 0.00 O ATOM 0 H GLU A 46 -2.854 -2.137 10.898 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.602 0.240 11.557 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.594 -2.335 10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.491 -1.042 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.012 -3.029 12.420 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.188 -1.397 13.027 1.00 0.00 H new ATOM 672 N TRP A 47 -1.581 -0.369 8.314 1.00 0.00 N ATOM 673 CA TRP A 47 -1.359 0.241 7.008 1.00 0.00 C ATOM 674 C TRP A 47 -2.281 1.438 6.802 1.00 0.00 C ATOM 675 O TRP A 47 -1.857 2.483 6.309 1.00 0.00 O ATOM 676 CB TRP A 47 -1.582 -0.787 5.897 1.00 0.00 C ATOM 677 CG TRP A 47 -1.133 -0.311 4.549 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.926 0.142 3.534 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.214 -0.244 4.068 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.153 0.487 2.451 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.163 0.260 2.754 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.458 -0.559 4.621 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.308 0.455 1.987 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.594 -0.366 3.858 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.513 0.138 2.553 1.00 0.00 C ATOM 0 H TRP A 47 -1.960 -1.315 8.279 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.327 0.590 6.969 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.048 -1.704 6.147 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.642 -1.038 5.851 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.003 0.218 3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.503 0.853 1.565 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.530 -0.946 5.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.248 0.843 0.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.561 -0.608 4.275 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.419 0.279 1.983 1.00 0.00 H new ATOM 696 N ALA A 48 -3.544 1.279 7.183 1.00 0.00 N ATOM 697 CA ALA A 48 -4.525 2.348 7.043 1.00 0.00 C ATOM 698 C ALA A 48 -4.062 3.615 7.752 1.00 0.00 C ATOM 699 O ALA A 48 -4.135 4.711 7.197 1.00 0.00 O ATOM 700 CB ALA A 48 -5.875 1.901 7.585 1.00 0.00 C ATOM 0 H ALA A 48 -3.912 0.420 7.591 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.629 2.574 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.598 2.710 7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.219 1.028 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.777 1.645 8.640 1.00 0.00 H new ATOM 706 N ALA A 49 -3.584 3.459 8.982 1.00 0.00 N ATOM 707 CA ALA A 49 -3.108 4.591 9.767 1.00 0.00 C ATOM 708 C ALA A 49 -1.876 5.223 9.127 1.00 0.00 C ATOM 709 O ALA A 49 -1.791 6.443 8.994 1.00 0.00 O ATOM 710 CB ALA A 49 -2.799 4.153 11.191 1.00 0.00 C ATOM 0 H ALA A 49 -3.516 2.559 9.457 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.898 5.342 9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.444 5.008 11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.702 3.754 11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.029 3.382 11.175 1.00 0.00 H new ATOM 716 N ALA A 50 -0.924 4.384 8.732 1.00 0.00 N ATOM 717 CA ALA A 50 0.302 4.861 8.105 1.00 0.00 C ATOM 718 C ALA A 50 -0.005 5.736 6.894 1.00 0.00 C ATOM 719 O ALA A 50 0.627 6.772 6.690 1.00 0.00 O ATOM 720 CB ALA A 50 1.180 3.685 7.700 1.00 0.00 C ATOM 0 H ALA A 50 -0.978 3.371 8.835 1.00 0.00 H new ATOM 0 HA ALA A 50 0.840 5.469 8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.092 4.056 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.436 3.101 8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.641 3.055 6.993 1.00 0.00 H new ATOM 726 N ALA A 51 -0.978 5.311 6.095 1.00 0.00 N ATOM 727 CA ALA A 51 -1.369 6.058 4.905 1.00 0.00 C ATOM 728 C ALA A 51 -1.697 7.506 5.249 1.00 0.00 C ATOM 729 O ALA A 51 -1.192 8.434 4.618 1.00 0.00 O ATOM 730 CB ALA A 51 -2.559 5.390 4.231 1.00 0.00 C ATOM 0 H ALA A 51 -1.510 4.454 6.250 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.527 6.059 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.841 5.958 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.290 4.374 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.400 5.359 4.924 1.00 0.00 H new ATOM 736 N SER A 52 -2.548 7.693 6.254 1.00 0.00 N ATOM 737 CA SER A 52 -2.947 9.030 6.679 1.00 0.00 C ATOM 738 C SER A 52 -1.762 9.789 7.269 1.00 0.00 C ATOM 739 O SER A 52 -1.585 10.979 7.014 1.00 0.00 O ATOM 740 CB SER A 52 -4.077 8.945 7.707 1.00 0.00 C ATOM 741 OG SER A 52 -5.332 8.772 7.073 1.00 0.00 O ATOM 0 H SER A 52 -2.974 6.936 6.788 1.00 0.00 H new ATOM 0 HA SER A 52 -3.303 9.572 5.803 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.892 8.114 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.093 9.853 8.310 1.00 0.00 H new ATOM 0 HG SER A 52 -6.037 8.719 7.752 1.00 0.00 H new ATOM 747 N GLU A 53 -0.955 9.089 8.060 1.00 0.00 N ATOM 748 CA GLU A 53 0.213 9.697 8.688 1.00 0.00 C ATOM 749 C GLU A 53 1.278 10.030 7.648 1.00 0.00 C ATOM 750 O GLU A 53 2.125 10.897 7.866 1.00 0.00 O ATOM 751 CB GLU A 53 0.795 8.761 9.749 1.00 0.00 C ATOM 752 CG GLU A 53 2.065 9.287 10.395 1.00 0.00 C ATOM 753 CD GLU A 53 1.791 10.356 11.436 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.304 11.441 11.058 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.064 10.105 12.628 1.00 0.00 O ATOM 0 H GLU A 53 -1.088 8.102 8.281 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.105 10.623 9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.046 8.593 10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.004 7.793 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.600 8.460 10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.718 9.695 9.624 1.00 0.00 H new ATOM 762 N VAL A 54 1.230 9.334 6.517 1.00 0.00 N ATOM 763 CA VAL A 54 2.190 9.556 5.442 1.00 0.00 C ATOM 764 C VAL A 54 1.756 10.710 4.546 1.00 0.00 C ATOM 765 O VAL A 54 2.563 11.565 4.180 1.00 0.00 O ATOM 766 CB VAL A 54 2.370 8.291 4.581 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.179 8.606 3.332 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.031 7.186 5.390 1.00 0.00 C ATOM 0 H VAL A 54 0.537 8.612 6.321 1.00 0.00 H new ATOM 0 HA VAL A 54 3.141 9.805 5.913 1.00 0.00 H new ATOM 0 HB VAL A 54 1.386 7.942 4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.296 7.701 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.660 9.363 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.161 8.980 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.150 6.300 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.009 7.522 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.408 6.943 6.251 1.00 0.00 H new ATOM 778 N LYS A 55 0.474 10.730 4.195 1.00 0.00 N ATOM 779 CA LYS A 55 -0.070 11.780 3.343 1.00 0.00 C ATOM 780 C LYS A 55 -0.098 13.117 4.077 1.00 0.00 C ATOM 781 O LYS A 55 -0.078 14.177 3.453 1.00 0.00 O ATOM 782 CB LYS A 55 -1.482 11.410 2.882 1.00 0.00 C ATOM 783 CG LYS A 55 -2.556 11.708 3.913 1.00 0.00 C ATOM 784 CD LYS A 55 -3.942 11.374 3.387 1.00 0.00 C ATOM 785 CE LYS A 55 -5.031 11.935 4.290 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.343 11.273 4.053 1.00 0.00 N ATOM 0 H LYS A 55 -0.208 10.030 4.488 1.00 0.00 H new ATOM 0 HA LYS A 55 0.577 11.878 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.710 11.953 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.509 10.348 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.361 11.134 4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.515 12.762 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.058 11.778 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.053 10.292 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.741 11.804 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.129 13.007 4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.054 11.990 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.252 10.590 3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.642 10.775 4.916 1.00 0.00 H new ATOM 800 N GLU A 56 -0.142 13.057 5.404 1.00 0.00 N ATOM 801 CA GLU A 56 -0.171 14.264 6.222 1.00 0.00 C ATOM 802 C GLU A 56 1.234 14.831 6.405 1.00 0.00 C ATOM 803 O GLU A 56 1.418 16.046 6.484 1.00 0.00 O ATOM 804 CB GLU A 56 -0.794 13.967 7.587 1.00 0.00 C ATOM 805 CG GLU A 56 0.199 13.437 8.608 1.00 0.00 C ATOM 806 CD GLU A 56 -0.407 13.290 9.990 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.222 12.364 10.184 1.00 0.00 O ATOM 808 OE2 GLU A 56 -0.068 14.101 10.877 1.00 0.00 O ATOM 0 H GLU A 56 -0.158 12.186 5.935 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.780 15.007 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.249 14.878 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.595 13.239 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.575 12.469 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.055 14.110 8.660 1.00 0.00 H new ATOM 815 N GLN A 57 2.220 13.943 6.471 1.00 0.00 N ATOM 816 CA GLN A 57 3.608 14.355 6.646 1.00 0.00 C ATOM 817 C GLN A 57 4.274 14.612 5.298 1.00 0.00 C ATOM 818 O GLN A 57 5.195 15.423 5.193 1.00 0.00 O ATOM 819 CB GLN A 57 4.386 13.287 7.417 1.00 0.00 C ATOM 820 CG GLN A 57 3.990 13.183 8.881 1.00 0.00 C ATOM 821 CD GLN A 57 4.887 12.245 9.663 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.508 12.641 10.651 1.00 0.00 O ATOM 823 NE2 GLN A 57 4.962 10.994 9.226 1.00 0.00 N ATOM 0 H GLN A 57 2.084 12.934 6.406 1.00 0.00 H new ATOM 0 HA GLN A 57 3.615 15.283 7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.231 12.320 6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.451 13.508 7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.024 14.174 9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.959 12.836 8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.431 10.708 8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.551 10.318 9.713 1.00 0.00 H new ATOM 832 N THR A 58 3.801 13.917 4.268 1.00 0.00 N ATOM 833 CA THR A 58 4.351 14.069 2.927 1.00 0.00 C ATOM 834 C THR A 58 3.473 14.975 2.072 1.00 0.00 C ATOM 835 O THR A 58 3.549 14.952 0.843 1.00 0.00 O ATOM 836 CB THR A 58 4.502 12.707 2.224 1.00 0.00 C ATOM 837 OG1 THR A 58 3.212 12.183 1.889 1.00 0.00 O ATOM 838 CG2 THR A 58 5.240 11.718 3.113 1.00 0.00 C ATOM 0 H THR A 58 3.038 13.243 4.337 1.00 0.00 H new ATOM 0 HA THR A 58 5.336 14.523 3.039 1.00 0.00 H new ATOM 0 HB THR A 58 5.082 12.856 1.313 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.638 12.195 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.334 10.764 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.232 12.106 3.343 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.683 11.575 4.039 1.00 0.00 H new ATOM 846 N LYS A 59 2.638 15.773 2.729 1.00 0.00 N ATOM 847 CA LYS A 59 1.745 16.690 2.029 1.00 0.00 C ATOM 848 C LYS A 59 0.946 15.958 0.957 1.00 0.00 C ATOM 849 O LYS A 59 0.514 16.557 -0.027 1.00 0.00 O ATOM 850 CB LYS A 59 2.546 17.829 1.395 1.00 0.00 C ATOM 851 CG LYS A 59 3.331 18.654 2.400 1.00 0.00 C ATOM 852 CD LYS A 59 4.652 17.992 2.753 1.00 0.00 C ATOM 853 CE LYS A 59 5.706 19.020 3.136 1.00 0.00 C ATOM 854 NZ LYS A 59 6.713 18.458 4.078 1.00 0.00 N ATOM 0 H LYS A 59 2.561 15.803 3.746 1.00 0.00 H new ATOM 0 HA LYS A 59 1.048 17.106 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.236 17.412 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.864 18.484 0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.518 19.647 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.737 18.789 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.503 17.297 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.005 17.406 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.209 19.376 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.222 19.883 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.394 19.199 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.233 18.110 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.217 17.672 3.619 1.00 0.00 H new ATOM 868 N GLY A 60 0.750 14.657 1.154 1.00 0.00 N ATOM 869 CA GLY A 60 0.002 13.865 0.196 1.00 0.00 C ATOM 870 C GLY A 60 0.836 13.467 -1.005 1.00 0.00 C ATOM 871 O GLY A 60 0.299 13.170 -2.073 1.00 0.00 O ATOM 0 H GLY A 60 1.097 14.138 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.374 12.967 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.866 14.432 -0.140 1.00 0.00 H new ATOM 875 N LYS A 61 2.153 13.462 -0.833 1.00 0.00 N ATOM 876 CA LYS A 61 3.065 13.098 -1.911 1.00 0.00 C ATOM 877 C LYS A 61 3.147 11.583 -2.066 1.00 0.00 C ATOM 878 O LYS A 61 2.880 11.044 -3.140 1.00 0.00 O ATOM 879 CB LYS A 61 4.459 13.670 -1.643 1.00 0.00 C ATOM 880 CG LYS A 61 5.552 13.026 -2.478 1.00 0.00 C ATOM 881 CD LYS A 61 5.417 13.388 -3.948 1.00 0.00 C ATOM 882 CE LYS A 61 6.641 12.959 -4.742 1.00 0.00 C ATOM 883 NZ LYS A 61 6.891 11.496 -4.629 1.00 0.00 N ATOM 0 H LYS A 61 2.613 13.706 0.044 1.00 0.00 H new ATOM 0 HA LYS A 61 2.678 13.520 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.447 14.742 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.698 13.543 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.527 13.346 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.508 11.943 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.528 12.911 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.276 14.464 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.505 13.224 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.515 13.505 -4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.719 11.331 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.058 11.033 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.071 11.101 -5.574 1.00 0.00 H new ATOM 897 N VAL A 62 3.516 10.902 -0.986 1.00 0.00 N ATOM 898 CA VAL A 62 3.631 9.448 -1.002 1.00 0.00 C ATOM 899 C VAL A 62 2.296 8.788 -0.675 1.00 0.00 C ATOM 900 O VAL A 62 1.813 8.864 0.455 1.00 0.00 O ATOM 901 CB VAL A 62 4.692 8.958 0.001 1.00 0.00 C ATOM 902 CG1 VAL A 62 4.833 7.445 -0.068 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.027 9.638 -0.263 1.00 0.00 C ATOM 0 H VAL A 62 3.740 11.333 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 62 3.936 9.166 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 62 4.367 9.223 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.587 7.117 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.877 6.979 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.136 7.153 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.766 9.281 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.361 9.404 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.913 10.717 -0.159 1.00 0.00 H new ATOM 913 N LYS A 63 1.703 8.140 -1.672 1.00 0.00 N ATOM 914 CA LYS A 63 0.423 7.465 -1.492 1.00 0.00 C ATOM 915 C LYS A 63 0.629 5.990 -1.161 1.00 0.00 C ATOM 916 O LYS A 63 1.577 5.363 -1.636 1.00 0.00 O ATOM 917 CB LYS A 63 -0.431 7.601 -2.754 1.00 0.00 C ATOM 918 CG LYS A 63 -0.689 9.042 -3.161 1.00 0.00 C ATOM 919 CD LYS A 63 -1.129 9.141 -4.612 1.00 0.00 C ATOM 920 CE LYS A 63 -2.641 9.034 -4.744 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.125 9.586 -6.040 1.00 0.00 N ATOM 0 H LYS A 63 2.089 8.068 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.095 7.938 -0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.064 7.083 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.386 7.101 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.457 9.471 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.217 9.630 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.792 10.089 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.655 8.349 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.940 7.989 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.116 9.569 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.097 9.260 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.110 10.625 -6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.506 9.259 -6.809 1.00 0.00 H new ATOM 935 N LEU A 64 -0.265 5.440 -0.347 1.00 0.00 N ATOM 936 CA LEU A 64 -0.183 4.038 0.045 1.00 0.00 C ATOM 937 C LEU A 64 -1.361 3.246 -0.513 1.00 0.00 C ATOM 938 O LEU A 64 -2.519 3.592 -0.282 1.00 0.00 O ATOM 939 CB LEU A 64 -0.148 3.915 1.570 1.00 0.00 C ATOM 940 CG LEU A 64 1.238 3.963 2.215 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.788 5.381 2.192 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.180 3.434 3.641 1.00 0.00 C ATOM 0 H LEU A 64 -1.056 5.944 0.055 1.00 0.00 H new ATOM 0 HA LEU A 64 0.737 3.625 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.752 4.718 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.625 2.976 1.850 1.00 0.00 H new ATOM 0 HG LEU A 64 1.909 3.326 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.775 5.396 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.866 5.724 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.118 6.040 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.175 3.475 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.495 4.045 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.829 2.402 3.632 1.00 0.00 H new ATOM 954 N ALA A 65 -1.057 2.181 -1.247 1.00 0.00 N ATOM 955 CA ALA A 65 -2.090 1.337 -1.834 1.00 0.00 C ATOM 956 C ALA A 65 -1.947 -0.109 -1.372 1.00 0.00 C ATOM 957 O ALA A 65 -0.895 -0.511 -0.876 1.00 0.00 O ATOM 958 CB ALA A 65 -2.036 1.416 -3.353 1.00 0.00 C ATOM 0 H ALA A 65 -0.103 1.882 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.059 1.704 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.813 0.781 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.196 2.447 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.060 1.077 -3.700 1.00 0.00 H new ATOM 964 N ALA A 66 -3.011 -0.887 -1.538 1.00 0.00 N ATOM 965 CA ALA A 66 -3.003 -2.289 -1.140 1.00 0.00 C ATOM 966 C ALA A 66 -3.429 -3.190 -2.293 1.00 0.00 C ATOM 967 O ALA A 66 -4.262 -2.810 -3.116 1.00 0.00 O ATOM 968 CB ALA A 66 -3.912 -2.501 0.062 1.00 0.00 C ATOM 0 H ALA A 66 -3.890 -0.570 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.983 -2.557 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.897 -3.552 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.561 -1.892 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.930 -2.210 -0.196 1.00 0.00 H new ATOM 974 N VAL A 67 -2.852 -4.387 -2.348 1.00 0.00 N ATOM 975 CA VAL A 67 -3.173 -5.343 -3.401 1.00 0.00 C ATOM 976 C VAL A 67 -3.321 -6.751 -2.838 1.00 0.00 C ATOM 977 O VAL A 67 -2.618 -7.135 -1.903 1.00 0.00 O ATOM 978 CB VAL A 67 -2.093 -5.352 -4.499 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.483 -6.297 -5.625 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.861 -3.945 -5.029 1.00 0.00 C ATOM 0 H VAL A 67 -2.160 -4.717 -1.675 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.121 -5.028 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.160 -5.710 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.708 -6.290 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.594 -7.307 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.428 -5.973 -6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.095 -3.970 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.789 -3.557 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.533 -3.299 -4.215 1.00 0.00 H new ATOM 990 N ASP A 68 -4.241 -7.518 -3.412 1.00 0.00 N ATOM 991 CA ASP A 68 -4.482 -8.887 -2.969 1.00 0.00 C ATOM 992 C ASP A 68 -3.850 -9.889 -3.931 1.00 0.00 C ATOM 993 O ASP A 68 -4.379 -10.143 -5.012 1.00 0.00 O ATOM 994 CB ASP A 68 -5.984 -9.151 -2.851 1.00 0.00 C ATOM 995 CG ASP A 68 -6.305 -10.209 -1.814 1.00 0.00 C ATOM 996 OD1 ASP A 68 -5.381 -10.947 -1.412 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.481 -10.299 -1.404 1.00 0.00 O ATOM 0 H ASP A 68 -4.833 -7.215 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.021 -9.012 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.494 -8.224 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.372 -9.466 -3.820 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.717 -10.453 -3.529 1.00 0.00 N ATOM 1003 CA ALA A 69 -2.014 -11.428 -4.354 1.00 0.00 C ATOM 1004 C ALA A 69 -2.956 -12.533 -4.821 1.00 0.00 C ATOM 1005 O ALA A 69 -2.660 -13.255 -5.773 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.840 -12.020 -3.588 1.00 0.00 C ATOM 0 H ALA A 69 -2.266 -10.252 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.634 -10.914 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.325 -12.746 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.148 -11.225 -3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.205 -12.514 -2.687 1.00 0.00 H new ATOM 1012 N THR A 70 -4.092 -12.661 -4.142 1.00 0.00 N ATOM 1013 CA THR A 70 -5.076 -13.680 -4.486 1.00 0.00 C ATOM 1014 C THR A 70 -5.788 -13.339 -5.790 1.00 0.00 C ATOM 1015 O THR A 70 -6.177 -14.228 -6.547 1.00 0.00 O ATOM 1016 CB THR A 70 -6.125 -13.846 -3.370 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.936 -12.669 -3.281 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.453 -14.108 -2.031 1.00 0.00 C ATOM 0 H THR A 70 -4.353 -12.072 -3.351 1.00 0.00 H new ATOM 0 HA THR A 70 -4.532 -14.617 -4.607 1.00 0.00 H new ATOM 0 HB THR A 70 -6.754 -14.702 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.601 -12.783 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.213 -14.222 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.860 -15.020 -2.094 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.803 -13.270 -1.780 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.954 -12.045 -6.048 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.618 -11.587 -7.263 1.00 0.00 C ATOM 1028 C VAL A 71 -5.607 -11.066 -8.278 1.00 0.00 C ATOM 1029 O VAL A 71 -5.813 -11.174 -9.486 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.641 -10.477 -6.958 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.354 -10.044 -8.230 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.640 -10.946 -5.911 1.00 0.00 C ATOM 0 H VAL A 71 -5.638 -11.296 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.140 -12.447 -7.683 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.107 -9.615 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.073 -9.259 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.624 -9.665 -8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.877 -10.897 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.355 -10.149 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.170 -11.824 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.111 -11.202 -4.993 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.512 -10.502 -7.779 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.467 -9.964 -8.643 1.00 0.00 C ATOM 1044 C ASN A 72 -2.463 -11.048 -9.022 1.00 0.00 C ATOM 1045 O ASN A 72 -1.688 -11.509 -8.185 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.747 -8.806 -7.948 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.393 -7.465 -8.239 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -2.830 -6.636 -8.954 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.580 -7.247 -7.685 1.00 0.00 N ATOM 0 H ASN A 72 -4.325 -10.406 -6.781 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.938 -9.595 -9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.743 -8.978 -6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.706 -8.783 -8.271 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.063 -6.363 -7.845 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.009 -7.964 -7.099 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.484 -11.449 -10.289 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.575 -12.479 -10.779 1.00 0.00 C ATOM 1058 C GLN A 73 -0.496 -11.874 -11.671 1.00 0.00 C ATOM 1059 O GLN A 73 0.662 -12.288 -11.631 1.00 0.00 O ATOM 1060 CB GLN A 73 -2.351 -13.548 -11.550 1.00 0.00 C ATOM 1061 CG GLN A 73 -3.319 -14.339 -10.686 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.653 -15.501 -9.975 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.862 -16.235 -10.568 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.969 -15.674 -8.697 1.00 0.00 N ATOM 0 H GLN A 73 -3.120 -11.077 -10.994 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.091 -12.941 -9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.905 -13.071 -12.358 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.643 -14.236 -12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.766 -13.674 -9.947 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.131 -14.716 -11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.630 -15.042 -8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.551 -16.439 -8.167 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.885 -10.890 -12.476 1.00 0.00 N ATOM 1074 CA VAL A 74 0.049 -10.227 -13.378 1.00 0.00 C ATOM 1075 C VAL A 74 1.248 -9.671 -12.617 1.00 0.00 C ATOM 1076 O VAL A 74 2.388 -9.773 -13.072 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.632 -9.080 -14.148 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.344 -8.435 -15.120 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.867 -9.588 -14.877 1.00 0.00 C ATOM 0 H VAL A 74 -1.840 -10.535 -12.522 1.00 0.00 H new ATOM 0 HA VAL A 74 0.390 -10.980 -14.089 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.947 -8.322 -13.432 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.155 -7.627 -15.655 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.195 -8.034 -14.569 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.693 -9.181 -15.834 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.336 -8.765 -15.416 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.578 -10.366 -15.583 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.573 -9.998 -14.155 1.00 0.00 H new ATOM 1089 N LEU A 75 0.983 -9.085 -11.455 1.00 0.00 N ATOM 1090 CA LEU A 75 2.041 -8.513 -10.628 1.00 0.00 C ATOM 1091 C LEU A 75 2.732 -9.594 -9.804 1.00 0.00 C ATOM 1092 O LEU A 75 3.945 -9.779 -9.897 1.00 0.00 O ATOM 1093 CB LEU A 75 1.467 -7.439 -9.702 1.00 0.00 C ATOM 1094 CG LEU A 75 0.510 -6.437 -10.349 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.228 -5.640 -9.285 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.265 -5.506 -11.287 1.00 0.00 C ATOM 0 H LEU A 75 0.046 -8.993 -11.064 1.00 0.00 H new ATOM 0 HA LEU A 75 2.779 -8.058 -11.289 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.944 -7.935 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.297 -6.886 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.224 -6.991 -10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.904 -4.932 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.801 -6.319 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.492 -5.096 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.568 -4.800 -11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.022 -4.959 -10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.747 -6.091 -12.070 1.00 0.00 H new ATOM 1108 N ALA A 76 1.951 -10.308 -8.999 1.00 0.00 N ATOM 1109 CA ALA A 76 2.488 -11.374 -8.162 1.00 0.00 C ATOM 1110 C ALA A 76 3.489 -12.227 -8.934 1.00 0.00 C ATOM 1111 O ALA A 76 4.515 -12.638 -8.394 1.00 0.00 O ATOM 1112 CB ALA A 76 1.359 -12.240 -7.622 1.00 0.00 C ATOM 0 H ALA A 76 0.945 -10.167 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 76 3.012 -10.915 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.774 -13.032 -6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.683 -11.627 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.810 -12.683 -8.453 1.00 0.00 H new ATOM 1118 N SER A 77 3.182 -12.491 -10.200 1.00 0.00 N ATOM 1119 CA SER A 77 4.053 -13.299 -11.045 1.00 0.00 C ATOM 1120 C SER A 77 5.224 -12.472 -11.568 1.00 0.00 C ATOM 1121 O SER A 77 6.362 -12.940 -11.603 1.00 0.00 O ATOM 1122 CB SER A 77 3.263 -13.883 -12.218 1.00 0.00 C ATOM 1123 OG SER A 77 4.124 -14.512 -13.151 1.00 0.00 O ATOM 0 H SER A 77 2.337 -12.157 -10.663 1.00 0.00 H new ATOM 0 HA SER A 77 4.449 -14.115 -10.440 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.535 -14.604 -11.847 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.702 -13.090 -12.713 1.00 0.00 H new ATOM 0 HG SER A 77 3.594 -14.878 -13.890 1.00 0.00 H new ATOM 1129 N ARG A 78 4.935 -11.240 -11.974 1.00 0.00 N ATOM 1130 CA ARG A 78 5.962 -10.347 -12.496 1.00 0.00 C ATOM 1131 C ARG A 78 7.089 -10.163 -11.483 1.00 0.00 C ATOM 1132 O ARG A 78 8.264 -10.330 -11.810 1.00 0.00 O ATOM 1133 CB ARG A 78 5.355 -8.989 -12.851 1.00 0.00 C ATOM 1134 CG ARG A 78 6.341 -8.032 -13.501 1.00 0.00 C ATOM 1135 CD ARG A 78 7.093 -7.216 -12.461 1.00 0.00 C ATOM 1136 NE ARG A 78 8.422 -6.828 -12.927 1.00 0.00 N ATOM 1137 CZ ARG A 78 8.650 -5.779 -13.709 1.00 0.00 C ATOM 1138 NH1 ARG A 78 7.643 -5.017 -14.111 1.00 0.00 N ATOM 1139 NH2 ARG A 78 9.888 -5.491 -14.090 1.00 0.00 N ATOM 0 H ARG A 78 3.998 -10.838 -11.951 1.00 0.00 H new ATOM 0 HA ARG A 78 6.377 -10.799 -13.397 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.512 -9.142 -13.525 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.959 -8.530 -11.945 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.051 -8.595 -14.106 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.808 -7.362 -14.176 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.519 -6.322 -12.217 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.186 -7.796 -11.543 1.00 0.00 H new ATOM 0 HE ARG A 78 9.219 -7.394 -12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.690 -5.236 -13.820 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.821 -4.212 -14.712 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.665 -6.075 -13.782 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.062 -4.685 -14.691 1.00 0.00 H new ATOM 1153 N TYR A 79 6.722 -9.818 -10.254 1.00 0.00 N ATOM 1154 CA TYR A 79 7.701 -9.609 -9.194 1.00 0.00 C ATOM 1155 C TYR A 79 7.916 -10.887 -8.391 1.00 0.00 C ATOM 1156 O TYR A 79 8.939 -11.053 -7.727 1.00 0.00 O ATOM 1157 CB TYR A 79 7.247 -8.480 -8.267 1.00 0.00 C ATOM 1158 CG TYR A 79 6.817 -7.230 -9.001 1.00 0.00 C ATOM 1159 CD1 TYR A 79 5.498 -7.055 -9.401 1.00 0.00 C ATOM 1160 CD2 TYR A 79 7.729 -6.223 -9.293 1.00 0.00 C ATOM 1161 CE1 TYR A 79 5.101 -5.915 -10.072 1.00 0.00 C ATOM 1162 CE2 TYR A 79 7.340 -5.079 -9.962 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.025 -4.930 -10.350 1.00 0.00 C ATOM 1164 OH TYR A 79 5.633 -3.792 -11.017 1.00 0.00 O ATOM 0 H TYR A 79 5.753 -9.677 -9.967 1.00 0.00 H new ATOM 0 HA TYR A 79 8.647 -9.330 -9.658 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.418 -8.835 -7.655 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.061 -8.230 -7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.771 -7.823 -9.184 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.760 -6.337 -8.992 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.072 -5.796 -10.377 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.062 -4.306 -10.180 1.00 0.00 H new ATOM 0 HH TYR A 79 4.887 -3.373 -10.539 1.00 0.00 H new ATOM 1174 N GLY A 80 6.942 -11.791 -8.456 1.00 0.00 N ATOM 1175 CA GLY A 80 7.042 -13.044 -7.731 1.00 0.00 C ATOM 1176 C GLY A 80 6.605 -12.913 -6.285 1.00 0.00 C ATOM 1177 O GLY A 80 7.277 -13.409 -5.380 1.00 0.00 O ATOM 0 H GLY A 80 6.086 -11.677 -8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.429 -13.797 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.072 -13.399 -7.765 1.00 0.00 H new ATOM 1181 N ILE A 81 5.478 -12.244 -6.068 1.00 0.00 N ATOM 1182 CA ILE A 81 4.953 -12.050 -4.722 1.00 0.00 C ATOM 1183 C ILE A 81 4.329 -13.334 -4.185 1.00 0.00 C ATOM 1184 O ILE A 81 3.280 -13.771 -4.657 1.00 0.00 O ATOM 1185 CB ILE A 81 3.900 -10.926 -4.685 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.439 -9.670 -5.372 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.501 -10.622 -3.249 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.521 -8.966 -4.582 1.00 0.00 C ATOM 0 H ILE A 81 4.911 -11.827 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 81 5.796 -11.768 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 81 3.014 -11.260 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.834 -9.942 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.615 -8.977 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.757 -9.826 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.081 -11.517 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.379 -10.305 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.856 -8.085 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.125 -8.663 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.362 -9.643 -4.434 1.00 0.00 H new ATOM 1200 N ARG A 82 4.982 -13.932 -3.193 1.00 0.00 N ATOM 1201 CA ARG A 82 4.491 -15.166 -2.591 1.00 0.00 C ATOM 1202 C ARG A 82 4.482 -15.061 -1.068 1.00 0.00 C ATOM 1203 O ARG A 82 3.624 -15.638 -0.401 1.00 0.00 O ATOM 1204 CB ARG A 82 5.355 -16.350 -3.026 1.00 0.00 C ATOM 1205 CG ARG A 82 5.391 -16.557 -4.532 1.00 0.00 C ATOM 1206 CD ARG A 82 6.180 -17.803 -4.904 1.00 0.00 C ATOM 1207 NE ARG A 82 6.784 -17.692 -6.229 1.00 0.00 N ATOM 1208 CZ ARG A 82 7.824 -18.417 -6.625 1.00 0.00 C ATOM 1209 NH1 ARG A 82 8.373 -19.301 -5.803 1.00 0.00 N ATOM 1210 NH2 ARG A 82 8.318 -18.260 -7.847 1.00 0.00 N ATOM 0 H ARG A 82 5.851 -13.582 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 82 3.469 -15.326 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.372 -16.199 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.979 -17.257 -2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.373 -16.642 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.839 -15.685 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.961 -17.973 -4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.521 -18.671 -4.877 1.00 0.00 H new ATOM 0 HE ARG A 82 6.386 -17.021 -6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.997 -19.426 -4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.172 -19.856 -6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.899 -17.582 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.117 -18.817 -8.150 1.00 0.00 H new ATOM 1224 N GLY A 83 5.444 -14.320 -0.525 1.00 0.00 N ATOM 1225 CA GLY A 83 5.529 -14.154 0.914 1.00 0.00 C ATOM 1226 C GLY A 83 4.904 -12.856 1.386 1.00 0.00 C ATOM 1227 O GLY A 83 5.515 -11.793 1.288 1.00 0.00 O ATOM 0 H GLY A 83 6.165 -13.832 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.032 -14.992 1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.575 -14.182 1.219 1.00 0.00 H new ATOM 1231 N PHE A 84 3.680 -12.943 1.898 1.00 0.00 N ATOM 1232 CA PHE A 84 2.971 -11.765 2.384 1.00 0.00 C ATOM 1233 C PHE A 84 3.049 -11.673 3.905 1.00 0.00 C ATOM 1234 O PHE A 84 3.208 -12.672 4.606 1.00 0.00 O ATOM 1235 CB PHE A 84 1.507 -11.806 1.939 1.00 0.00 C ATOM 1236 CG PHE A 84 1.293 -12.546 0.650 1.00 0.00 C ATOM 1237 CD1 PHE A 84 2.218 -12.457 -0.377 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.167 -13.332 0.466 1.00 0.00 C ATOM 1239 CE1 PHE A 84 2.023 -13.137 -1.565 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.034 -14.014 -0.719 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.896 -13.918 -1.736 1.00 0.00 C ATOM 0 H PHE A 84 3.160 -13.816 1.987 1.00 0.00 H new ATOM 0 HA PHE A 84 3.449 -10.882 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.911 -12.275 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.141 -10.785 1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.102 -11.850 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.563 -13.413 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.751 -13.058 -2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.917 -14.621 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.743 -14.452 -2.662 1.00 0.00 H new ATOM 1251 N PRO A 85 2.936 -10.443 4.429 1.00 0.00 N ATOM 1252 CA PRO A 85 2.748 -9.246 3.605 1.00 0.00 C ATOM 1253 C PRO A 85 3.994 -8.894 2.799 1.00 0.00 C ATOM 1254 O PRO A 85 5.093 -9.360 3.101 1.00 0.00 O ATOM 1255 CB PRO A 85 2.449 -8.151 4.632 1.00 0.00 C ATOM 1256 CG PRO A 85 3.090 -8.627 5.890 1.00 0.00 C ATOM 1257 CD PRO A 85 2.984 -10.127 5.867 1.00 0.00 C ATOM 0 HA PRO A 85 1.960 -9.382 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.858 -7.191 4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.376 -8.013 4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.132 -8.310 5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.588 -8.214 6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.838 -10.598 6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.090 -10.475 6.385 1.00 0.00 H new ATOM 1265 N THR A 86 3.816 -8.069 1.773 1.00 0.00 N ATOM 1266 CA THR A 86 4.926 -7.655 0.923 1.00 0.00 C ATOM 1267 C THR A 86 4.835 -6.173 0.581 1.00 0.00 C ATOM 1268 O THR A 86 3.953 -5.753 -0.168 1.00 0.00 O ATOM 1269 CB THR A 86 4.968 -8.470 -0.383 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.849 -9.868 -0.093 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.261 -8.212 -1.141 1.00 0.00 C ATOM 0 H THR A 86 2.913 -7.674 1.510 1.00 0.00 H new ATOM 0 HA THR A 86 5.840 -7.839 1.487 1.00 0.00 H new ATOM 0 HB THR A 86 4.131 -8.157 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.454 -10.102 0.642 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.267 -8.799 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.334 -7.152 -1.386 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.110 -8.500 -0.521 1.00 0.00 H new ATOM 1279 N ILE A 87 5.751 -5.385 1.134 1.00 0.00 N ATOM 1280 CA ILE A 87 5.773 -3.949 0.886 1.00 0.00 C ATOM 1281 C ILE A 87 6.824 -3.589 -0.159 1.00 0.00 C ATOM 1282 O ILE A 87 8.011 -3.863 0.018 1.00 0.00 O ATOM 1283 CB ILE A 87 6.057 -3.159 2.177 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.994 -3.467 3.233 1.00 0.00 C ATOM 1285 CG2 ILE A 87 6.103 -1.666 1.884 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.480 -3.274 4.653 1.00 0.00 C ATOM 0 H ILE A 87 6.488 -5.717 1.757 1.00 0.00 H new ATOM 0 HA ILE A 87 4.785 -3.677 0.514 1.00 0.00 H new ATOM 0 HB ILE A 87 7.028 -3.464 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.129 -2.826 3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.658 -4.496 3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.305 -1.120 2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.893 -1.461 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.145 -1.346 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.675 -3.510 5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.327 -3.934 4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.789 -2.238 4.794 1.00 0.00 H new ATOM 1298 N LYS A 88 6.380 -2.971 -1.248 1.00 0.00 N ATOM 1299 CA LYS A 88 7.281 -2.569 -2.322 1.00 0.00 C ATOM 1300 C LYS A 88 7.045 -1.114 -2.714 1.00 0.00 C ATOM 1301 O LYS A 88 5.912 -0.630 -2.689 1.00 0.00 O ATOM 1302 CB LYS A 88 7.091 -3.474 -3.541 1.00 0.00 C ATOM 1303 CG LYS A 88 7.326 -4.946 -3.248 1.00 0.00 C ATOM 1304 CD LYS A 88 8.787 -5.324 -3.430 1.00 0.00 C ATOM 1305 CE LYS A 88 8.978 -6.833 -3.414 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.390 -7.211 -3.130 1.00 0.00 N ATOM 0 H LYS A 88 5.401 -2.737 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 88 8.304 -2.668 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.079 -3.345 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.773 -3.156 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.016 -5.169 -2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.707 -5.553 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.154 -4.920 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.382 -4.872 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.326 -7.274 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.678 -7.247 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.574 -8.166 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.030 -6.533 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.553 -7.198 -2.103 1.00 0.00 H new ATOM 1320 N ILE A 89 8.119 -0.422 -3.077 1.00 0.00 N ATOM 1321 CA ILE A 89 8.027 0.977 -3.477 1.00 0.00 C ATOM 1322 C ILE A 89 8.386 1.152 -4.949 1.00 0.00 C ATOM 1323 O ILE A 89 9.300 0.504 -5.458 1.00 0.00 O ATOM 1324 CB ILE A 89 8.951 1.868 -2.626 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.517 1.836 -1.159 1.00 0.00 C ATOM 1326 CG2 ILE A 89 8.944 3.295 -3.154 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.046 0.640 -0.399 1.00 0.00 C ATOM 0 H ILE A 89 9.063 -0.807 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 89 6.993 1.283 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 89 9.968 1.481 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 89 8.857 2.748 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.428 1.835 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.602 3.913 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.295 3.303 -4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.930 3.693 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.699 0.682 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.685 -0.276 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.136 0.651 -0.416 1.00 0.00 H new ATOM 1339 N PHE A 90 7.660 2.035 -5.628 1.00 0.00 N ATOM 1340 CA PHE A 90 7.902 2.297 -7.042 1.00 0.00 C ATOM 1341 C PHE A 90 8.000 3.796 -7.308 1.00 0.00 C ATOM 1342 O PHE A 90 7.068 4.549 -7.025 1.00 0.00 O ATOM 1343 CB PHE A 90 6.786 1.688 -7.894 1.00 0.00 C ATOM 1344 CG PHE A 90 6.614 0.210 -7.689 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.848 -0.273 -6.639 1.00 0.00 C ATOM 1346 CD2 PHE A 90 7.217 -0.696 -8.545 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.688 -1.632 -6.448 1.00 0.00 C ATOM 1348 CE2 PHE A 90 7.060 -2.057 -8.359 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.295 -2.525 -7.309 1.00 0.00 C ATOM 0 H PHE A 90 6.900 2.581 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 90 8.851 1.835 -7.314 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.847 2.191 -7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.998 1.879 -8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.371 0.421 -5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.817 -0.335 -9.367 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.089 -1.996 -5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.535 -2.753 -9.034 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.172 -3.588 -7.161 1.00 0.00 H new ATOM 1359 N GLN A 91 9.135 4.221 -7.853 1.00 0.00 N ATOM 1360 CA GLN A 91 9.355 5.630 -8.156 1.00 0.00 C ATOM 1361 C GLN A 91 9.693 5.824 -9.631 1.00 0.00 C ATOM 1362 O GLN A 91 10.282 4.948 -10.264 1.00 0.00 O ATOM 1363 CB GLN A 91 10.481 6.191 -7.286 1.00 0.00 C ATOM 1364 CG GLN A 91 10.150 6.213 -5.802 1.00 0.00 C ATOM 1365 CD GLN A 91 11.252 6.833 -4.967 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.152 7.487 -5.494 1.00 0.00 O ATOM 1367 NE2 GLN A 91 11.187 6.631 -3.656 1.00 0.00 N ATOM 0 H GLN A 91 9.916 3.610 -8.094 1.00 0.00 H new ATOM 0 HA GLN A 91 8.433 6.170 -7.939 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.380 5.594 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.711 7.205 -7.614 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.226 6.770 -5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.969 5.194 -5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.423 6.082 -3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.901 7.025 -3.043 1.00 0.00 H new ATOM 1376 N LYS A 92 9.315 6.977 -10.173 1.00 0.00 N ATOM 1377 CA LYS A 92 9.578 7.287 -11.573 1.00 0.00 C ATOM 1378 C LYS A 92 11.044 7.651 -11.784 1.00 0.00 C ATOM 1379 O LYS A 92 11.556 8.587 -11.171 1.00 0.00 O ATOM 1380 CB LYS A 92 8.684 8.438 -12.039 1.00 0.00 C ATOM 1381 CG LYS A 92 8.425 8.441 -13.535 1.00 0.00 C ATOM 1382 CD LYS A 92 7.102 9.108 -13.871 1.00 0.00 C ATOM 1383 CE LYS A 92 6.474 8.504 -15.118 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.249 9.241 -15.534 1.00 0.00 N ATOM 0 H LYS A 92 8.825 7.712 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 92 9.354 6.399 -12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.730 8.381 -11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.147 9.384 -11.757 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.236 8.962 -14.044 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.421 7.416 -13.907 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.417 9.003 -13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.260 10.176 -14.023 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.199 8.516 -15.932 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.223 7.460 -14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.851 8.799 -16.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.547 9.208 -14.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.492 10.231 -15.739 1.00 0.00 H new ATOM 1398 N GLY A 93 11.715 6.904 -12.657 1.00 0.00 N ATOM 1399 CA GLY A 93 13.116 7.165 -12.933 1.00 0.00 C ATOM 1400 C GLY A 93 14.027 6.090 -12.376 1.00 0.00 C ATOM 1401 O GLY A 93 14.967 5.657 -13.042 1.00 0.00 O ATOM 0 H GLY A 93 11.314 6.124 -13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.263 7.239 -14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.394 8.129 -12.506 1.00 0.00 H new ATOM 1405 N GLU A 94 13.750 5.659 -11.149 1.00 0.00 N ATOM 1406 CA GLU A 94 14.555 4.629 -10.502 1.00 0.00 C ATOM 1407 C GLU A 94 13.805 3.301 -10.457 1.00 0.00 C ATOM 1408 O GLU A 94 12.604 3.245 -10.721 1.00 0.00 O ATOM 1409 CB GLU A 94 14.933 5.062 -9.084 1.00 0.00 C ATOM 1410 CG GLU A 94 13.738 5.434 -8.222 1.00 0.00 C ATOM 1411 CD GLU A 94 13.213 6.825 -8.520 1.00 0.00 C ATOM 1412 OE1 GLU A 94 13.780 7.799 -7.982 1.00 0.00 O ATOM 1413 OE2 GLU A 94 12.237 6.940 -9.290 1.00 0.00 O ATOM 0 H GLU A 94 12.975 6.007 -10.584 1.00 0.00 H new ATOM 0 HA GLU A 94 15.464 4.493 -11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.481 4.254 -8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.608 5.916 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.941 4.708 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.020 5.374 -7.171 1.00 0.00 H new ATOM 1420 N SER A 95 14.523 2.234 -10.122 1.00 0.00 N ATOM 1421 CA SER A 95 13.927 0.905 -10.046 1.00 0.00 C ATOM 1422 C SER A 95 13.208 0.707 -8.715 1.00 0.00 C ATOM 1423 O SER A 95 13.470 1.397 -7.730 1.00 0.00 O ATOM 1424 CB SER A 95 15.002 -0.169 -10.223 1.00 0.00 C ATOM 1425 OG SER A 95 15.190 -0.482 -11.592 1.00 0.00 O ATOM 0 H SER A 95 15.518 2.264 -9.899 1.00 0.00 H new ATOM 0 HA SER A 95 13.197 0.814 -10.850 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.942 0.179 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.716 -1.068 -9.677 1.00 0.00 H new ATOM 0 HG SER A 95 15.883 -1.169 -11.678 1.00 0.00 H new ATOM 1431 N PRO A 96 12.278 -0.260 -8.685 1.00 0.00 N ATOM 1432 CA PRO A 96 11.502 -0.573 -7.481 1.00 0.00 C ATOM 1433 C PRO A 96 12.352 -1.221 -6.395 1.00 0.00 C ATOM 1434 O PRO A 96 13.164 -2.104 -6.672 1.00 0.00 O ATOM 1435 CB PRO A 96 10.442 -1.554 -7.989 1.00 0.00 C ATOM 1436 CG PRO A 96 11.054 -2.182 -9.194 1.00 0.00 C ATOM 1437 CD PRO A 96 11.914 -1.121 -9.822 1.00 0.00 C ATOM 0 HA PRO A 96 11.087 0.323 -7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.199 -2.301 -7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.514 -1.040 -8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.648 -3.054 -8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.286 -2.524 -9.888 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.795 -1.549 -10.300 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.373 -0.567 -10.589 1.00 0.00 H new ATOM 1445 N VAL A 97 12.161 -0.779 -5.156 1.00 0.00 N ATOM 1446 CA VAL A 97 12.909 -1.317 -4.027 1.00 0.00 C ATOM 1447 C VAL A 97 12.071 -2.318 -3.239 1.00 0.00 C ATOM 1448 O VAL A 97 10.883 -2.496 -3.508 1.00 0.00 O ATOM 1449 CB VAL A 97 13.379 -0.198 -3.079 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.531 0.578 -3.698 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.222 0.730 -2.738 1.00 0.00 C ATOM 0 H VAL A 97 11.493 -0.049 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 97 13.782 -1.823 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 97 13.735 -0.653 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.849 1.364 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.365 -0.098 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.206 1.025 -4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.571 1.515 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.834 1.179 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.431 0.161 -2.250 1.00 0.00 H new ATOM 1461 N ASP A 98 12.698 -2.968 -2.265 1.00 0.00 N ATOM 1462 CA ASP A 98 12.009 -3.950 -1.435 1.00 0.00 C ATOM 1463 C ASP A 98 11.986 -3.507 0.025 1.00 0.00 C ATOM 1464 O ASP A 98 13.015 -3.512 0.702 1.00 0.00 O ATOM 1465 CB ASP A 98 12.687 -5.316 -1.556 1.00 0.00 C ATOM 1466 CG ASP A 98 14.081 -5.325 -0.962 1.00 0.00 C ATOM 1467 OD1 ASP A 98 14.851 -4.383 -1.241 1.00 0.00 O ATOM 1468 OD2 ASP A 98 14.403 -6.276 -0.218 1.00 0.00 O ATOM 0 H ASP A 98 13.681 -2.833 -2.031 1.00 0.00 H new ATOM 0 HA ASP A 98 10.981 -4.031 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.077 -6.067 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.741 -5.600 -2.607 1.00 0.00 H new ATOM 1473 N TYR A 99 10.807 -3.125 0.503 1.00 0.00 N ATOM 1474 CA TYR A 99 10.651 -2.676 1.881 1.00 0.00 C ATOM 1475 C TYR A 99 10.566 -3.864 2.835 1.00 0.00 C ATOM 1476 O TYR A 99 9.571 -4.589 2.855 1.00 0.00 O ATOM 1477 CB TYR A 99 9.399 -1.808 2.018 1.00 0.00 C ATOM 1478 CG TYR A 99 9.189 -1.263 3.412 1.00 0.00 C ATOM 1479 CD1 TYR A 99 8.763 -2.088 4.446 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.418 0.078 3.697 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.570 -1.594 5.721 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.229 0.580 4.970 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.804 -0.260 5.978 1.00 0.00 C ATOM 1484 OH TYR A 99 8.614 0.236 7.248 1.00 0.00 O ATOM 0 H TYR A 99 9.946 -3.117 -0.043 1.00 0.00 H new ATOM 0 HA TYR A 99 11.527 -2.083 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.466 -0.975 1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.527 -2.396 1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.580 -3.134 4.249 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.749 0.739 2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.238 -2.249 6.513 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.413 1.624 5.175 1.00 0.00 H new ATOM 0 HH TYR A 99 8.824 1.193 7.260 1.00 0.00 H new ATOM 1544 N THR A 104 4.800 -1.867 11.305 1.00 0.00 N ATOM 1545 CA THR A 104 3.902 -0.982 12.036 1.00 0.00 C ATOM 1546 C THR A 104 3.868 0.407 11.409 1.00 0.00 C ATOM 1547 O THR A 104 4.906 0.961 11.049 1.00 0.00 O ATOM 1548 CB THR A 104 4.318 -0.856 13.514 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.678 -0.416 13.604 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.161 -2.186 14.236 1.00 0.00 C ATOM 0 HA THR A 104 2.908 -1.426 11.983 1.00 0.00 H new ATOM 0 HB THR A 104 3.667 -0.123 13.991 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.195 -0.797 12.864 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.461 -2.072 15.278 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.119 -2.504 14.191 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.790 -2.936 13.757 1.00 0.00 H new ATOM 1558 N ARG A 105 2.668 0.964 11.283 1.00 0.00 N ATOM 1559 CA ARG A 105 2.499 2.289 10.699 1.00 0.00 C ATOM 1560 C ARG A 105 3.655 3.206 11.088 1.00 0.00 C ATOM 1561 O ARG A 105 4.112 4.019 10.284 1.00 0.00 O ATOM 1562 CB ARG A 105 1.172 2.903 11.150 1.00 0.00 C ATOM 1563 CG ARG A 105 1.218 3.489 12.552 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.162 3.518 13.189 1.00 0.00 C ATOM 1565 NE ARG A 105 -0.130 4.068 14.541 1.00 0.00 N ATOM 1566 CZ ARG A 105 -1.077 3.850 15.447 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -2.126 3.097 15.145 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.976 4.385 16.657 1.00 0.00 N ATOM 0 H ARG A 105 1.799 0.519 11.577 1.00 0.00 H new ATOM 0 HA ARG A 105 2.492 2.182 9.614 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.886 3.686 10.447 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.395 2.139 11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.894 2.900 13.172 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.623 4.500 12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.834 4.114 12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.569 2.507 13.219 1.00 0.00 H new ATOM 0 HE ARG A 105 0.664 4.652 14.805 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.207 2.684 14.216 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.852 2.931 15.842 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.170 4.965 16.893 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.704 4.217 17.351 1.00 0.00 H new ATOM 1582 N SER A 106 4.121 3.070 12.325 1.00 0.00 N ATOM 1583 CA SER A 106 5.221 3.889 12.822 1.00 0.00 C ATOM 1584 C SER A 106 6.399 3.863 11.853 1.00 0.00 C ATOM 1585 O SER A 106 6.832 4.903 11.357 1.00 0.00 O ATOM 1586 CB SER A 106 5.668 3.398 14.200 1.00 0.00 C ATOM 1587 OG SER A 106 4.947 4.047 15.232 1.00 0.00 O ATOM 0 H SER A 106 3.754 2.401 13.002 1.00 0.00 H new ATOM 0 HA SER A 106 4.867 4.916 12.908 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.520 2.320 14.271 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.735 3.582 14.326 1.00 0.00 H new ATOM 0 HG SER A 106 5.250 3.714 16.102 1.00 0.00 H new ATOM 1593 N ASP A 107 6.912 2.666 11.587 1.00 0.00 N ATOM 1594 CA ASP A 107 8.039 2.503 10.677 1.00 0.00 C ATOM 1595 C ASP A 107 7.623 2.794 9.239 1.00 0.00 C ATOM 1596 O ASP A 107 8.241 3.614 8.558 1.00 0.00 O ATOM 1597 CB ASP A 107 8.604 1.085 10.780 1.00 0.00 C ATOM 1598 CG ASP A 107 9.263 0.820 12.120 1.00 0.00 C ATOM 1599 OD1 ASP A 107 10.207 1.558 12.472 1.00 0.00 O ATOM 1600 OD2 ASP A 107 8.836 -0.125 12.815 1.00 0.00 O ATOM 0 H ASP A 107 6.565 1.795 11.989 1.00 0.00 H new ATOM 0 HA ASP A 107 8.812 3.216 10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.801 0.365 10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.331 0.928 9.983 1.00 0.00 H new ATOM 1605 N ILE A 108 6.574 2.119 8.783 1.00 0.00 N ATOM 1606 CA ILE A 108 6.076 2.306 7.426 1.00 0.00 C ATOM 1607 C ILE A 108 6.058 3.782 7.046 1.00 0.00 C ATOM 1608 O ILE A 108 6.400 4.149 5.922 1.00 0.00 O ATOM 1609 CB ILE A 108 4.658 1.727 7.262 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.659 0.226 7.555 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.135 1.998 5.859 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.305 -0.311 7.966 1.00 0.00 C ATOM 0 H ILE A 108 6.052 1.437 9.334 1.00 0.00 H new ATOM 0 HA ILE A 108 6.756 1.771 6.763 1.00 0.00 H new ATOM 0 HB ILE A 108 3.997 2.217 7.977 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.999 -0.309 6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.379 0.019 8.347 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.132 1.583 5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.102 3.073 5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.796 1.532 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.381 -1.381 8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.971 0.197 8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.586 -0.136 7.166 1.00 0.00 H new ATOM 1624 N VAL A 109 5.657 4.626 7.991 1.00 0.00 N ATOM 1625 CA VAL A 109 5.597 6.064 7.757 1.00 0.00 C ATOM 1626 C VAL A 109 6.994 6.673 7.716 1.00 0.00 C ATOM 1627 O VAL A 109 7.325 7.432 6.805 1.00 0.00 O ATOM 1628 CB VAL A 109 4.770 6.776 8.845 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.846 8.285 8.671 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.326 6.299 8.813 1.00 0.00 C ATOM 0 H VAL A 109 5.369 4.339 8.926 1.00 0.00 H new ATOM 0 HA VAL A 109 5.113 6.207 6.791 1.00 0.00 H new ATOM 0 HB VAL A 109 5.190 6.525 9.819 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.256 8.771 9.448 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.884 8.608 8.748 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.452 8.559 7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.756 6.812 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.892 6.519 7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.294 5.224 8.991 1.00 0.00 H new ATOM 1640 N SER A 110 7.810 6.335 8.710 1.00 0.00 N ATOM 1641 CA SER A 110 9.171 6.852 8.790 1.00 0.00 C ATOM 1642 C SER A 110 9.872 6.747 7.438 1.00 0.00 C ATOM 1643 O SER A 110 10.503 7.699 6.979 1.00 0.00 O ATOM 1644 CB SER A 110 9.967 6.088 9.850 1.00 0.00 C ATOM 1645 OG SER A 110 11.337 6.452 9.820 1.00 0.00 O ATOM 0 H SER A 110 7.552 5.706 9.470 1.00 0.00 H new ATOM 0 HA SER A 110 9.119 7.904 9.072 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.554 6.294 10.838 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.869 5.016 9.681 1.00 0.00 H new ATOM 0 HG SER A 110 11.824 5.951 10.508 1.00 0.00 H new ATOM 1651 N ARG A 111 9.756 5.583 6.807 1.00 0.00 N ATOM 1652 CA ARG A 111 10.379 5.352 5.510 1.00 0.00 C ATOM 1653 C ARG A 111 9.792 6.282 4.452 1.00 0.00 C ATOM 1654 O ARG A 111 10.525 6.956 3.728 1.00 0.00 O ATOM 1655 CB ARG A 111 10.193 3.895 5.083 1.00 0.00 C ATOM 1656 CG ARG A 111 10.513 3.644 3.618 1.00 0.00 C ATOM 1657 CD ARG A 111 11.994 3.838 3.331 1.00 0.00 C ATOM 1658 NE ARG A 111 12.392 3.217 2.070 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.504 3.532 1.415 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.324 4.455 1.899 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.799 2.922 0.274 1.00 0.00 N ATOM 0 H ARG A 111 9.236 4.785 7.173 1.00 0.00 H new ATOM 0 HA ARG A 111 11.444 5.563 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.830 3.260 5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.163 3.597 5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.219 2.630 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.929 4.321 2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.220 4.904 3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.580 3.413 4.146 1.00 0.00 H new ATOM 0 HE ARG A 111 11.783 2.503 1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.102 4.925 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.177 4.695 1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.172 2.210 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.653 3.165 -0.228 1.00 0.00 H new ATOM 1675 N ALA A 112 8.466 6.312 4.368 1.00 0.00 N ATOM 1676 CA ALA A 112 7.781 7.160 3.400 1.00 0.00 C ATOM 1677 C ALA A 112 8.402 8.552 3.353 1.00 0.00 C ATOM 1678 O ALA A 112 8.552 9.140 2.282 1.00 0.00 O ATOM 1679 CB ALA A 112 6.299 7.252 3.735 1.00 0.00 C ATOM 0 H ALA A 112 7.845 5.759 4.958 1.00 0.00 H new ATOM 0 HA ALA A 112 7.892 6.708 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.800 7.888 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.858 6.256 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.177 7.678 4.731 1.00 0.00 H new ATOM 1685 N LEU A 113 8.760 9.075 4.521 1.00 0.00 N ATOM 1686 CA LEU A 113 9.364 10.399 4.613 1.00 0.00 C ATOM 1687 C LEU A 113 10.746 10.413 3.968 1.00 0.00 C ATOM 1688 O LEU A 113 11.093 11.345 3.241 1.00 0.00 O ATOM 1689 CB LEU A 113 9.468 10.833 6.076 1.00 0.00 C ATOM 1690 CG LEU A 113 8.144 10.984 6.827 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.393 11.161 8.317 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.347 12.156 6.274 1.00 0.00 C ATOM 0 H LEU A 113 8.642 8.602 5.417 1.00 0.00 H new ATOM 0 HA LEU A 113 8.725 11.101 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.083 10.106 6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.996 11.786 6.115 1.00 0.00 H new ATOM 0 HG LEU A 113 7.561 10.075 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.440 11.267 8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.921 10.290 8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.997 12.054 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.408 12.248 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.924 13.074 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.137 11.987 5.218 1.00 0.00 H new ATOM 1704 N ASP A 114 11.529 9.374 4.236 1.00 0.00 N ATOM 1705 CA ASP A 114 12.873 9.265 3.679 1.00 0.00 C ATOM 1706 C ASP A 114 12.849 9.448 2.165 1.00 0.00 C ATOM 1707 O ASP A 114 13.758 10.046 1.586 1.00 0.00 O ATOM 1708 CB ASP A 114 13.486 7.910 4.032 1.00 0.00 C ATOM 1709 CG ASP A 114 14.252 7.944 5.340 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.046 8.887 5.538 1.00 0.00 O ATOM 1711 OD2 ASP A 114 14.058 7.027 6.166 1.00 0.00 O ATOM 0 H ASP A 114 11.257 8.595 4.835 1.00 0.00 H new ATOM 0 HA ASP A 114 13.485 10.055 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.695 7.163 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 114 14.155 7.597 3.230 1.00 0.00 H new ATOM 1716 N LEU A 115 11.806 8.928 1.528 1.00 0.00 N ATOM 1717 CA LEU A 115 11.664 9.032 0.079 1.00 0.00 C ATOM 1718 C LEU A 115 10.999 10.349 -0.309 1.00 0.00 C ATOM 1719 O LEU A 115 11.351 10.959 -1.319 1.00 0.00 O ATOM 1720 CB LEU A 115 10.846 7.857 -0.459 1.00 0.00 C ATOM 1721 CG LEU A 115 11.159 6.488 0.147 1.00 0.00 C ATOM 1722 CD1 LEU A 115 9.967 5.555 0.003 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.393 5.884 -0.508 1.00 0.00 C ATOM 0 H LEU A 115 11.046 8.430 1.991 1.00 0.00 H new ATOM 0 HA LEU A 115 12.660 9.005 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.790 8.071 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.997 7.798 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 115 11.364 6.621 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.209 4.586 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.107 5.981 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.730 5.428 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.601 4.910 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.216 5.765 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.247 6.543 -0.352 1.00 0.00 H new ATOM 1735 N PHE A 116 10.039 10.782 0.500 1.00 0.00 N ATOM 1736 CA PHE A 116 9.326 12.028 0.242 1.00 0.00 C ATOM 1737 C PHE A 116 10.302 13.184 0.048 1.00 0.00 C ATOM 1738 O PHE A 116 10.294 13.852 -0.986 1.00 0.00 O ATOM 1739 CB PHE A 116 8.369 12.341 1.394 1.00 0.00 C ATOM 1740 CG PHE A 116 8.006 13.795 1.494 1.00 0.00 C ATOM 1741 CD1 PHE A 116 7.086 14.354 0.622 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.584 14.602 2.460 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.750 15.692 0.710 1.00 0.00 C ATOM 1744 CE2 PHE A 116 8.252 15.941 2.554 1.00 0.00 C ATOM 1745 CZ PHE A 116 7.334 16.486 1.678 1.00 0.00 C ATOM 0 H PHE A 116 9.736 10.289 1.340 1.00 0.00 H new ATOM 0 HA PHE A 116 8.751 11.904 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.458 11.755 1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.826 12.023 2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.626 13.737 -0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.302 14.181 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 116 6.032 16.116 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.710 16.560 3.311 1.00 0.00 H new ATOM 0 HZ PHE A 116 7.073 17.532 1.750 1.00 0.00 H new ATOM 1755 N SER A 117 11.143 13.414 1.052 1.00 0.00 N ATOM 1756 CA SER A 117 12.124 14.492 0.995 1.00 0.00 C ATOM 1757 C SER A 117 13.025 14.343 -0.227 1.00 0.00 C ATOM 1758 O SER A 117 13.757 15.264 -0.588 1.00 0.00 O ATOM 1759 CB SER A 117 12.971 14.507 2.269 1.00 0.00 C ATOM 1760 OG SER A 117 12.223 14.985 3.373 1.00 0.00 O ATOM 0 H SER A 117 11.165 12.869 1.914 1.00 0.00 H new ATOM 0 HA SER A 117 11.585 15.436 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.334 13.501 2.480 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.848 15.137 2.119 1.00 0.00 H new ATOM 0 HG SER A 117 12.786 14.983 4.175 1.00 0.00 H new ATOM 1766 N ASP A 118 12.965 13.177 -0.860 1.00 0.00 N ATOM 1767 CA ASP A 118 13.774 12.905 -2.042 1.00 0.00 C ATOM 1768 C ASP A 118 13.137 13.515 -3.288 1.00 0.00 C ATOM 1769 O ASP A 118 13.723 14.382 -3.934 1.00 0.00 O ATOM 1770 CB ASP A 118 13.950 11.398 -2.231 1.00 0.00 C ATOM 1771 CG ASP A 118 15.147 11.059 -3.098 1.00 0.00 C ATOM 1772 OD1 ASP A 118 15.182 11.511 -4.262 1.00 0.00 O ATOM 1773 OD2 ASP A 118 16.047 10.341 -2.614 1.00 0.00 O ATOM 0 H ASP A 118 12.364 12.404 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 118 14.753 13.361 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.065 10.924 -1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.049 10.984 -2.683 1.00 0.00 H new ATOM 1778 N ASN A 119 11.935 13.054 -3.618 1.00 0.00 N ATOM 1779 CA ASN A 119 11.220 13.553 -4.787 1.00 0.00 C ATOM 1780 C ASN A 119 10.433 14.814 -4.446 1.00 0.00 C ATOM 1781 O ASN A 119 10.784 15.913 -4.876 1.00 0.00 O ATOM 1782 CB ASN A 119 10.274 12.479 -5.329 1.00 0.00 C ATOM 1783 CG ASN A 119 10.908 11.101 -5.337 1.00 0.00 C ATOM 1784 OD1 ASN A 119 11.409 10.643 -6.363 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.888 10.434 -4.189 1.00 0.00 N ATOM 0 H ASN A 119 11.436 12.336 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 119 11.955 13.801 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.369 12.456 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.972 12.743 -6.342 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.299 9.502 -4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.461 10.853 -3.363 1.00 0.00 H new