USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 THR OG1 : rot 176:sc= -0.401! USER MOD Set 1.2: A 107 GLN : amide:sc= -2.67! C(o=-3.1!,f=-7.9!) USER MOD Single : A 70 HIS : no HE2:sc= -5.94! C(o=-5.9!,f=-6.5!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0736 USER MOD Single : A 72 TYR OH : rot 70:sc= -1.26! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 99 LYS NZ :NH3+ -133:sc= -2.41 (180deg=-6.74!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.154 USER MOD Single : A 104 THR OG1 : rot 129:sc= 1.05 USER MOD Single : A 114 ASN : amide:sc= -2.16! C(o=-2.2!,f=-8.5!) USER MOD Single : A 118 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00993) USER MOD Single : A 120 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.041 3.828 10.739 1.00 0.00 N ATOM 16 CA LEU A 65 0.165 4.572 9.861 1.00 0.00 C ATOM 17 C LEU A 65 0.944 5.356 8.828 1.00 0.00 C ATOM 18 O LEU A 65 2.005 5.916 9.102 1.00 0.00 O ATOM 19 CB LEU A 65 -0.743 5.507 10.647 1.00 0.00 C ATOM 20 CG LEU A 65 -1.461 6.549 9.807 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.320 5.868 8.758 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.297 7.469 10.682 1.00 0.00 C ATOM 0 HA LEU A 65 -0.454 3.842 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.487 4.910 11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.148 6.018 11.404 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.716 7.162 9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.831 6.623 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.689 5.259 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.058 5.233 9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.801 8.206 10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.040 6.882 11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.650 7.980 11.395 1.00 0.00 H new ATOM 34 N VAL A 66 0.387 5.378 7.638 1.00 0.00 N ATOM 35 CA VAL A 66 0.979 6.075 6.514 1.00 0.00 C ATOM 36 C VAL A 66 0.018 7.084 5.904 1.00 0.00 C ATOM 37 O VAL A 66 -1.100 7.269 6.379 1.00 0.00 O ATOM 38 CB VAL A 66 1.391 5.087 5.423 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.705 4.412 5.775 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.297 4.056 5.185 1.00 0.00 C ATOM 0 H VAL A 66 -0.493 4.911 7.420 1.00 0.00 H new ATOM 0 HA VAL A 66 1.853 6.601 6.898 1.00 0.00 H new ATOM 0 HB VAL A 66 1.535 5.645 4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.978 3.713 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.485 5.166 5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.596 3.871 6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.613 3.364 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.111 3.504 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.617 4.561 4.874 1.00 0.00 H new ATOM 50 N ILE A 67 0.464 7.726 4.837 1.00 0.00 N ATOM 51 CA ILE A 67 -0.347 8.706 4.142 1.00 0.00 C ATOM 52 C ILE A 67 -0.081 8.665 2.642 1.00 0.00 C ATOM 53 O ILE A 67 1.057 8.801 2.192 1.00 0.00 O ATOM 54 CB ILE A 67 -0.132 10.132 4.710 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.374 10.532 5.492 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.156 11.143 3.608 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.411 11.979 5.930 1.00 0.00 C ATOM 0 H ILE A 67 1.390 7.583 4.433 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.392 8.446 4.308 1.00 0.00 H new ATOM 0 HB ILE A 67 0.739 10.124 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.252 10.330 4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.449 9.898 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.300 12.130 4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.058 10.849 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.684 11.175 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.333 12.169 6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.556 12.186 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.371 12.626 5.053 1.00 0.00 H new ATOM 69 N ALA A 68 -1.145 8.458 1.881 1.00 0.00 N ATOM 70 CA ALA A 68 -1.051 8.374 0.427 1.00 0.00 C ATOM 71 C ALA A 68 -0.468 9.646 -0.177 1.00 0.00 C ATOM 72 O ALA A 68 -0.586 10.732 0.390 1.00 0.00 O ATOM 73 CB ALA A 68 -2.416 8.075 -0.175 1.00 0.00 C ATOM 0 H ALA A 68 -2.090 8.344 2.247 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.371 7.557 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.330 8.015 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.784 7.125 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.113 8.870 0.091 1.00 0.00 H new ATOM 79 N LEU A 69 0.158 9.496 -1.340 1.00 0.00 N ATOM 80 CA LEU A 69 0.764 10.620 -2.046 1.00 0.00 C ATOM 81 C LEU A 69 0.157 10.784 -3.438 1.00 0.00 C ATOM 82 O LEU A 69 0.654 11.563 -4.252 1.00 0.00 O ATOM 83 CB LEU A 69 2.272 10.403 -2.171 1.00 0.00 C ATOM 84 CG LEU A 69 3.047 10.478 -0.853 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.526 10.176 -1.068 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.874 11.851 -0.222 1.00 0.00 C ATOM 0 H LEU A 69 0.259 8.600 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 69 0.568 11.526 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.447 9.427 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.676 11.149 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 69 2.644 9.723 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.052 10.236 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.636 9.173 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.948 10.902 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.429 11.893 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.251 12.614 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.817 12.031 -0.026 1.00 0.00 H new ATOM 98 N HIS A 70 -0.907 10.033 -3.714 1.00 0.00 N ATOM 99 CA HIS A 70 -1.563 10.086 -5.015 1.00 0.00 C ATOM 100 C HIS A 70 -2.935 9.420 -4.955 1.00 0.00 C ATOM 101 O HIS A 70 -3.114 8.410 -4.276 1.00 0.00 O ATOM 102 CB HIS A 70 -0.700 9.397 -6.089 1.00 0.00 C ATOM 103 CG HIS A 70 0.534 8.718 -5.560 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.732 8.700 -6.243 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.755 8.039 -4.408 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.633 8.044 -5.535 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.068 7.634 -4.415 1.00 0.00 N ATOM 0 H HIS A 70 -1.332 9.382 -3.054 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.690 11.135 -5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.311 8.659 -6.608 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.401 10.140 -6.828 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.897 9.127 -7.154 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.032 7.851 -3.628 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.659 7.872 -5.824 1.00 0.00 H new ATOM 116 N SER A 71 -3.900 9.984 -5.679 1.00 0.00 N ATOM 117 CA SER A 71 -5.249 9.428 -5.709 1.00 0.00 C ATOM 118 C SER A 71 -5.211 7.975 -6.163 1.00 0.00 C ATOM 119 O SER A 71 -4.678 7.662 -7.228 1.00 0.00 O ATOM 120 CB SER A 71 -6.145 10.240 -6.644 1.00 0.00 C ATOM 121 OG SER A 71 -5.668 11.566 -6.787 1.00 0.00 O ATOM 0 H SER A 71 -3.773 10.820 -6.249 1.00 0.00 H new ATOM 0 HA SER A 71 -5.661 9.476 -4.701 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.187 9.758 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.162 10.257 -6.253 1.00 0.00 H new ATOM 0 HG SER A 71 -6.258 12.063 -7.391 1.00 0.00 H new ATOM 127 N TYR A 72 -5.758 7.086 -5.343 1.00 0.00 N ATOM 128 CA TYR A 72 -5.756 5.660 -5.669 1.00 0.00 C ATOM 129 C TYR A 72 -7.106 5.167 -6.173 1.00 0.00 C ATOM 130 O TYR A 72 -8.161 5.628 -5.737 1.00 0.00 O ATOM 131 CB TYR A 72 -5.348 4.826 -4.457 1.00 0.00 C ATOM 132 CG TYR A 72 -5.062 3.381 -4.797 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.244 3.045 -5.870 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.614 2.352 -4.049 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.988 1.725 -6.184 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.362 1.031 -4.357 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.550 0.723 -5.425 1.00 0.00 C ATOM 138 OH TYR A 72 -4.303 -0.591 -5.737 1.00 0.00 O ATOM 0 H TYR A 72 -6.205 7.320 -4.456 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.029 5.537 -6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.461 5.268 -4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.143 4.867 -3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.802 3.829 -6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.252 2.589 -3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.350 1.480 -7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.800 0.242 -3.763 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.370 -0.807 -5.529 1.00 0.00 H new ATOM 148 N GLU A 73 -7.047 4.200 -7.084 1.00 0.00 N ATOM 149 CA GLU A 73 -8.229 3.591 -7.658 1.00 0.00 C ATOM 150 C GLU A 73 -8.037 2.077 -7.760 1.00 0.00 C ATOM 151 O GLU A 73 -7.466 1.576 -8.729 1.00 0.00 O ATOM 152 CB GLU A 73 -8.503 4.180 -9.024 1.00 0.00 C ATOM 153 CG GLU A 73 -9.814 4.935 -9.102 1.00 0.00 C ATOM 154 CD GLU A 73 -9.917 5.805 -10.339 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.263 5.476 -11.351 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.650 6.814 -10.296 1.00 0.00 O ATOM 0 H GLU A 73 -6.171 3.819 -7.442 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.084 3.793 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.688 4.853 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.510 3.378 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.639 4.223 -9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.923 5.559 -8.215 1.00 0.00 H new ATOM 163 N PRO A 74 -8.505 1.341 -6.744 1.00 0.00 N ATOM 164 CA PRO A 74 -8.400 -0.113 -6.663 1.00 0.00 C ATOM 165 C PRO A 74 -8.542 -0.806 -8.015 1.00 0.00 C ATOM 166 O PRO A 74 -9.495 -0.566 -8.755 1.00 0.00 O ATOM 167 CB PRO A 74 -9.558 -0.500 -5.727 1.00 0.00 C ATOM 168 CG PRO A 74 -10.166 0.789 -5.254 1.00 0.00 C ATOM 169 CD PRO A 74 -9.178 1.872 -5.574 1.00 0.00 C ATOM 0 HA PRO A 74 -7.418 -0.424 -6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.295 -1.108 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.197 -1.091 -4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.118 0.974 -5.751 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.368 0.752 -4.183 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.670 2.822 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.485 2.047 -4.751 1.00 0.00 H new ATOM 177 N SER A 75 -7.582 -1.674 -8.320 1.00 0.00 N ATOM 178 CA SER A 75 -7.587 -2.417 -9.575 1.00 0.00 C ATOM 179 C SER A 75 -7.439 -3.914 -9.315 1.00 0.00 C ATOM 180 O SER A 75 -8.143 -4.729 -9.912 1.00 0.00 O ATOM 181 CB SER A 75 -6.457 -1.929 -10.485 1.00 0.00 C ATOM 182 OG SER A 75 -6.933 -1.666 -11.794 1.00 0.00 O ATOM 0 H SER A 75 -6.789 -1.880 -7.713 1.00 0.00 H new ATOM 0 HA SER A 75 -8.542 -2.244 -10.072 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.014 -1.025 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.668 -2.680 -10.526 1.00 0.00 H new ATOM 0 HG SER A 75 -6.192 -1.354 -12.355 1.00 0.00 H new ATOM 188 N HIS A 76 -6.523 -4.268 -8.417 1.00 0.00 N ATOM 189 CA HIS A 76 -6.289 -5.667 -8.076 1.00 0.00 C ATOM 190 C HIS A 76 -7.344 -6.164 -7.092 1.00 0.00 C ATOM 191 O HIS A 76 -7.860 -5.397 -6.279 1.00 0.00 O ATOM 192 CB HIS A 76 -4.890 -5.846 -7.479 1.00 0.00 C ATOM 193 CG HIS A 76 -3.835 -6.129 -8.503 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.337 -7.392 -8.744 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.181 -5.302 -9.354 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.423 -7.330 -9.696 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.310 -6.073 -10.083 1.00 0.00 N ATOM 0 H HIS A 76 -5.932 -3.606 -7.914 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.359 -6.256 -8.990 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.620 -4.944 -6.930 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.913 -6.663 -6.758 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.319 -4.235 -9.442 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.864 -8.165 -10.090 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.678 -5.730 -10.806 1.00 0.00 H new ATOM 206 N ASP A 77 -7.663 -7.451 -7.174 1.00 0.00 N ATOM 207 CA ASP A 77 -8.661 -8.050 -6.293 1.00 0.00 C ATOM 208 C ASP A 77 -8.250 -7.920 -4.830 1.00 0.00 C ATOM 209 O ASP A 77 -7.122 -8.247 -4.460 1.00 0.00 O ATOM 210 CB ASP A 77 -8.863 -9.525 -6.647 1.00 0.00 C ATOM 211 CG ASP A 77 -10.280 -9.994 -6.385 1.00 0.00 C ATOM 212 OD1 ASP A 77 -11.188 -9.138 -6.329 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.482 -11.217 -6.235 1.00 0.00 O ATOM 0 H ASP A 77 -7.246 -8.100 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.600 -7.515 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.621 -9.680 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.169 -10.133 -6.067 1.00 0.00 H new ATOM 218 N GLY A 78 -9.175 -7.445 -4.001 1.00 0.00 N ATOM 219 CA GLY A 78 -8.891 -7.283 -2.587 1.00 0.00 C ATOM 220 C GLY A 78 -8.077 -6.041 -2.289 1.00 0.00 C ATOM 221 O GLY A 78 -7.320 -6.010 -1.320 1.00 0.00 O ATOM 0 H GLY A 78 -10.116 -7.170 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.830 -7.237 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.353 -8.160 -2.227 1.00 0.00 H new ATOM 225 N ASP A 79 -8.232 -5.013 -3.118 1.00 0.00 N ATOM 226 CA ASP A 79 -7.499 -3.768 -2.927 1.00 0.00 C ATOM 227 C ASP A 79 -8.351 -2.739 -2.195 1.00 0.00 C ATOM 228 O ASP A 79 -9.580 -2.814 -2.198 1.00 0.00 O ATOM 229 CB ASP A 79 -7.047 -3.199 -4.272 1.00 0.00 C ATOM 230 CG ASP A 79 -5.929 -4.006 -4.898 1.00 0.00 C ATOM 231 OD1 ASP A 79 -5.924 -5.244 -4.733 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.057 -3.398 -5.552 1.00 0.00 O ATOM 0 H ASP A 79 -8.856 -5.018 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.621 -3.989 -2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.896 -3.171 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.715 -2.170 -4.134 1.00 0.00 H new ATOM 237 N LEU A 80 -7.684 -1.776 -1.576 1.00 0.00 N ATOM 238 CA LEU A 80 -8.361 -0.717 -0.843 1.00 0.00 C ATOM 239 C LEU A 80 -8.122 0.624 -1.529 1.00 0.00 C ATOM 240 O LEU A 80 -6.985 0.982 -1.831 1.00 0.00 O ATOM 241 CB LEU A 80 -7.865 -0.687 0.613 1.00 0.00 C ATOM 242 CG LEU A 80 -7.829 0.689 1.287 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.208 1.074 1.801 1.00 0.00 C ATOM 244 CD2 LEU A 80 -6.814 0.694 2.420 1.00 0.00 C ATOM 0 H LEU A 80 -6.666 -1.707 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.434 -0.911 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.503 -1.342 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.860 -1.109 0.642 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.526 1.429 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.159 2.054 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.910 1.109 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.545 0.335 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.798 1.677 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.090 -0.058 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.825 0.466 2.023 1.00 0.00 H new ATOM 256 N GLY A 81 -9.199 1.360 -1.773 1.00 0.00 N ATOM 257 CA GLY A 81 -9.074 2.649 -2.423 1.00 0.00 C ATOM 258 C GLY A 81 -8.971 3.787 -1.433 1.00 0.00 C ATOM 259 O GLY A 81 -9.629 3.780 -0.393 1.00 0.00 O ATOM 0 H GLY A 81 -10.153 1.088 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.191 2.646 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.936 2.811 -3.070 1.00 0.00 H new ATOM 263 N PHE A 82 -8.142 4.766 -1.761 1.00 0.00 N ATOM 264 CA PHE A 82 -7.947 5.923 -0.902 1.00 0.00 C ATOM 265 C PHE A 82 -7.661 7.160 -1.733 1.00 0.00 C ATOM 266 O PHE A 82 -7.562 7.091 -2.958 1.00 0.00 O ATOM 267 CB PHE A 82 -6.797 5.685 0.079 1.00 0.00 C ATOM 268 CG PHE A 82 -5.652 4.895 -0.496 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.796 3.546 -0.775 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.431 5.502 -0.756 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.746 2.818 -1.300 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.377 4.774 -1.284 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.536 3.432 -1.554 1.00 0.00 C ATOM 0 H PHE A 82 -7.592 4.782 -2.620 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.865 6.078 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.422 6.649 0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.182 5.161 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.740 3.058 -0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.301 6.553 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.872 1.767 -1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.432 5.258 -1.484 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.715 2.862 -1.964 1.00 0.00 H new ATOM 283 N GLU A 83 -7.530 8.293 -1.060 1.00 0.00 N ATOM 284 CA GLU A 83 -7.255 9.545 -1.741 1.00 0.00 C ATOM 285 C GLU A 83 -5.818 9.986 -1.499 1.00 0.00 C ATOM 286 O GLU A 83 -5.106 9.395 -0.687 1.00 0.00 O ATOM 287 CB GLU A 83 -8.224 10.618 -1.248 1.00 0.00 C ATOM 288 CG GLU A 83 -9.299 10.973 -2.259 1.00 0.00 C ATOM 289 CD GLU A 83 -9.478 12.469 -2.423 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.466 13.200 -2.354 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.630 12.912 -2.618 1.00 0.00 O ATOM 0 H GLU A 83 -7.610 8.370 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.390 9.399 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.699 10.273 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.661 11.517 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.044 10.534 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.245 10.530 -1.948 1.00 0.00 H new ATOM 298 N LYS A 84 -5.398 11.035 -2.192 1.00 0.00 N ATOM 299 CA LYS A 84 -4.053 11.555 -2.020 1.00 0.00 C ATOM 300 C LYS A 84 -3.963 12.263 -0.673 1.00 0.00 C ATOM 301 O LYS A 84 -4.821 13.076 -0.331 1.00 0.00 O ATOM 302 CB LYS A 84 -3.689 12.491 -3.170 1.00 0.00 C ATOM 303 CG LYS A 84 -2.453 13.333 -2.902 1.00 0.00 C ATOM 304 CD LYS A 84 -2.315 14.457 -3.912 1.00 0.00 C ATOM 305 CE LYS A 84 -1.198 15.415 -3.529 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.238 16.665 -4.338 1.00 0.00 N ATOM 0 H LYS A 84 -5.966 11.538 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.336 10.734 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.527 11.900 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.532 13.152 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.507 13.751 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.566 12.700 -2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.115 14.039 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.256 15.003 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.280 15.664 -2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.235 14.924 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.461 17.292 -4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.134 16.430 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.147 17.147 -4.187 1.00 0.00 H new ATOM 320 N GLY A 85 -2.948 11.914 0.106 1.00 0.00 N ATOM 321 CA GLY A 85 -2.799 12.489 1.431 1.00 0.00 C ATOM 322 C GLY A 85 -3.624 11.735 2.458 1.00 0.00 C ATOM 323 O GLY A 85 -3.441 11.910 3.662 1.00 0.00 O ATOM 0 H GLY A 85 -2.225 11.244 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.749 12.470 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.106 13.535 1.412 1.00 0.00 H new ATOM 327 N GLU A 86 -4.521 10.873 1.974 1.00 0.00 N ATOM 328 CA GLU A 86 -5.362 10.066 2.843 1.00 0.00 C ATOM 329 C GLU A 86 -4.495 9.263 3.792 1.00 0.00 C ATOM 330 O GLU A 86 -3.292 9.137 3.586 1.00 0.00 O ATOM 331 CB GLU A 86 -6.216 9.113 2.000 1.00 0.00 C ATOM 332 CG GLU A 86 -7.636 8.874 2.498 1.00 0.00 C ATOM 333 CD GLU A 86 -8.027 9.719 3.700 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.232 10.938 3.528 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.129 9.157 4.811 1.00 0.00 O ATOM 0 H GLU A 86 -4.680 10.720 0.978 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.015 10.723 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.269 9.506 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.705 8.152 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.333 9.076 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.745 7.821 2.758 1.00 0.00 H new ATOM 342 N GLN A 87 -5.109 8.712 4.822 1.00 0.00 N ATOM 343 CA GLN A 87 -4.373 7.918 5.790 1.00 0.00 C ATOM 344 C GLN A 87 -4.942 6.517 5.893 1.00 0.00 C ATOM 345 O GLN A 87 -6.146 6.299 5.757 1.00 0.00 O ATOM 346 CB GLN A 87 -4.374 8.584 7.162 1.00 0.00 C ATOM 347 CG GLN A 87 -4.130 10.079 7.101 1.00 0.00 C ATOM 348 CD GLN A 87 -4.950 10.850 8.119 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.695 11.764 7.769 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.814 10.482 9.388 1.00 0.00 N ATOM 0 H GLN A 87 -6.108 8.798 5.010 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.343 7.849 5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.332 8.398 7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.607 8.122 7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.071 10.277 7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.367 10.441 6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.184 9.718 9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.339 10.964 10.118 1.00 0.00 H new ATOM 359 N LEU A 88 -4.051 5.577 6.135 1.00 0.00 N ATOM 360 CA LEU A 88 -4.415 4.175 6.265 1.00 0.00 C ATOM 361 C LEU A 88 -3.515 3.493 7.269 1.00 0.00 C ATOM 362 O LEU A 88 -2.290 3.560 7.170 1.00 0.00 O ATOM 363 CB LEU A 88 -4.303 3.437 4.931 1.00 0.00 C ATOM 364 CG LEU A 88 -4.509 4.285 3.677 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.432 3.971 2.654 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.891 4.036 3.101 1.00 0.00 C ATOM 0 H LEU A 88 -3.054 5.760 6.248 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.452 4.141 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.317 2.975 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.034 2.629 4.923 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.433 5.340 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.587 4.580 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.452 4.191 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.482 2.916 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.028 4.645 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.992 2.982 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.647 4.301 3.840 1.00 0.00 H new ATOM 378 N ARG A 89 -4.125 2.822 8.221 1.00 0.00 N ATOM 379 CA ARG A 89 -3.381 2.114 9.227 1.00 0.00 C ATOM 380 C ARG A 89 -2.906 0.785 8.656 1.00 0.00 C ATOM 381 O ARG A 89 -3.684 -0.154 8.492 1.00 0.00 O ATOM 382 CB ARG A 89 -4.245 1.909 10.460 1.00 0.00 C ATOM 383 CG ARG A 89 -3.651 0.924 11.428 1.00 0.00 C ATOM 384 CD ARG A 89 -4.436 0.887 12.722 1.00 0.00 C ATOM 385 NE ARG A 89 -3.627 0.415 13.840 1.00 0.00 N ATOM 386 CZ ARG A 89 -3.573 -0.855 14.241 1.00 0.00 C ATOM 387 NH1 ARG A 89 -4.267 -1.793 13.607 1.00 0.00 N ATOM 388 NH2 ARG A 89 -2.814 -1.189 15.275 1.00 0.00 N ATOM 0 H ARG A 89 -5.138 2.755 8.316 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.508 2.695 9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.386 2.866 10.963 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.231 1.561 10.154 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.638 -0.069 10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.615 1.193 11.635 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.815 1.885 12.945 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.302 0.237 12.602 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.067 1.100 14.347 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.847 -1.544 12.806 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.220 -2.762 13.921 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.273 -0.475 15.762 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.771 -2.160 15.584 1.00 0.00 H new ATOM 402 N ILE A 90 -1.628 0.737 8.328 1.00 0.00 N ATOM 403 CA ILE A 90 -1.026 -0.447 7.735 1.00 0.00 C ATOM 404 C ILE A 90 -1.179 -1.671 8.621 1.00 0.00 C ATOM 405 O ILE A 90 -0.574 -1.772 9.688 1.00 0.00 O ATOM 406 CB ILE A 90 0.467 -0.219 7.417 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.649 1.068 6.615 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.041 -1.396 6.649 1.00 0.00 C ATOM 409 CD1 ILE A 90 0.031 1.022 5.233 1.00 0.00 C ATOM 0 H ILE A 90 -0.979 1.512 8.463 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.563 -0.632 6.804 1.00 0.00 H new ATOM 0 HB ILE A 90 1.005 -0.127 8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.210 1.896 7.171 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.714 1.277 6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.094 -1.213 6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.944 -2.302 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.498 -1.519 5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.202 1.972 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.487 0.216 4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.041 0.845 5.320 1.00 0.00 H new ATOM 421 N LEU A 91 -1.978 -2.612 8.140 1.00 0.00 N ATOM 422 CA LEU A 91 -2.216 -3.861 8.837 1.00 0.00 C ATOM 423 C LEU A 91 -1.043 -4.788 8.591 1.00 0.00 C ATOM 424 O LEU A 91 -0.486 -5.384 9.513 1.00 0.00 O ATOM 425 CB LEU A 91 -3.506 -4.490 8.321 1.00 0.00 C ATOM 426 CG LEU A 91 -4.685 -3.517 8.235 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.915 -4.182 7.643 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.995 -2.931 9.606 1.00 0.00 C ATOM 0 H LEU A 91 -2.478 -2.528 7.255 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.317 -3.683 9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.323 -4.910 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.780 -5.319 8.974 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.398 -2.705 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.732 -3.462 7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.688 -4.538 6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.209 -5.025 8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.836 -2.242 9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.250 -3.735 10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.122 -2.396 9.979 1.00 0.00 H new ATOM 440 N GLU A 92 -0.660 -4.867 7.326 1.00 0.00 N ATOM 441 CA GLU A 92 0.467 -5.677 6.911 1.00 0.00 C ATOM 442 C GLU A 92 1.224 -4.968 5.802 1.00 0.00 C ATOM 443 O GLU A 92 0.624 -4.402 4.892 1.00 0.00 O ATOM 444 CB GLU A 92 0.012 -7.058 6.457 1.00 0.00 C ATOM 445 CG GLU A 92 0.594 -8.167 7.309 1.00 0.00 C ATOM 446 CD GLU A 92 -0.464 -8.937 8.075 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.588 -9.084 7.550 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.170 -9.392 9.200 1.00 0.00 O ATOM 0 H GLU A 92 -1.122 -4.372 6.563 1.00 0.00 H new ATOM 0 HA GLU A 92 1.132 -5.814 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.076 -7.109 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.304 -7.210 5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.148 -8.856 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.308 -7.741 8.014 1.00 0.00 H new ATOM 455 N GLN A 93 2.542 -4.976 5.895 1.00 0.00 N ATOM 456 CA GLN A 93 3.372 -4.305 4.908 1.00 0.00 C ATOM 457 C GLN A 93 4.362 -5.267 4.275 1.00 0.00 C ATOM 458 O GLN A 93 5.490 -4.897 3.952 1.00 0.00 O ATOM 459 CB GLN A 93 4.099 -3.135 5.552 1.00 0.00 C ATOM 460 CG GLN A 93 4.475 -3.409 6.978 1.00 0.00 C ATOM 461 CD GLN A 93 4.995 -2.184 7.704 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.235 -1.275 8.036 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.299 -2.154 7.954 1.00 0.00 N ATOM 0 H GLN A 93 3.060 -5.438 6.642 1.00 0.00 H new ATOM 0 HA GLN A 93 2.726 -3.929 4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.999 -2.910 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.465 -2.250 5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.605 -3.796 7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.236 -4.189 7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.893 -2.930 7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.707 -1.355 8.439 1.00 0.00 H new ATOM 472 N SER A 94 3.921 -6.502 4.086 1.00 0.00 N ATOM 473 CA SER A 94 4.753 -7.523 3.474 1.00 0.00 C ATOM 474 C SER A 94 4.441 -7.622 1.987 1.00 0.00 C ATOM 475 O SER A 94 3.296 -7.856 1.597 1.00 0.00 O ATOM 476 CB SER A 94 4.532 -8.876 4.152 1.00 0.00 C ATOM 477 OG SER A 94 3.460 -8.816 5.078 1.00 0.00 O ATOM 0 H SER A 94 2.988 -6.820 4.349 1.00 0.00 H new ATOM 0 HA SER A 94 5.799 -7.243 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.322 -9.634 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.443 -9.181 4.666 1.00 0.00 H new ATOM 0 HG SER A 94 3.339 -9.694 5.496 1.00 0.00 H new ATOM 483 N GLY A 95 5.459 -7.433 1.160 1.00 0.00 N ATOM 484 CA GLY A 95 5.262 -7.495 -0.274 1.00 0.00 C ATOM 485 C GLY A 95 4.961 -6.148 -0.880 1.00 0.00 C ATOM 486 O GLY A 95 4.545 -5.217 -0.190 1.00 0.00 O ATOM 0 H GLY A 95 6.416 -7.238 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.156 -7.907 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.443 -8.179 -0.495 1.00 0.00 H new ATOM 490 N GLU A 96 5.171 -6.055 -2.184 1.00 0.00 N ATOM 491 CA GLU A 96 4.925 -4.830 -2.927 1.00 0.00 C ATOM 492 C GLU A 96 3.532 -4.262 -2.626 1.00 0.00 C ATOM 493 O GLU A 96 3.275 -3.083 -2.858 1.00 0.00 O ATOM 494 CB GLU A 96 5.087 -5.111 -4.417 1.00 0.00 C ATOM 495 CG GLU A 96 4.132 -4.327 -5.268 1.00 0.00 C ATOM 496 CD GLU A 96 4.397 -4.476 -6.753 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.067 -5.457 -7.141 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.935 -3.612 -7.529 1.00 0.00 O ATOM 0 H GLU A 96 5.516 -6.826 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 96 5.650 -4.077 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.109 -4.877 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.938 -6.175 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.114 -4.650 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.196 -3.273 -4.998 1.00 0.00 H new ATOM 505 N TRP A 97 2.637 -5.100 -2.117 1.00 0.00 N ATOM 506 CA TRP A 97 1.286 -4.662 -1.793 1.00 0.00 C ATOM 507 C TRP A 97 1.043 -4.723 -0.287 1.00 0.00 C ATOM 508 O TRP A 97 0.963 -5.806 0.294 1.00 0.00 O ATOM 509 CB TRP A 97 0.265 -5.519 -2.536 1.00 0.00 C ATOM 510 CG TRP A 97 0.110 -5.120 -3.971 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.849 -5.562 -5.030 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.835 -4.186 -4.503 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.426 -4.955 -6.187 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.608 -4.106 -5.889 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.851 -3.409 -3.941 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.357 -3.278 -6.720 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.594 -2.588 -4.765 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.344 -2.527 -6.142 1.00 0.00 C ATOM 0 H TRP A 97 2.822 -6.084 -1.920 1.00 0.00 H new ATOM 0 HA TRP A 97 1.172 -3.626 -2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.569 -6.565 -2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.700 -5.442 -2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.650 -6.284 -4.967 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.817 -5.111 -7.116 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.051 -3.450 -2.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.166 -3.230 -7.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.381 -1.982 -4.341 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.942 -1.874 -6.760 1.00 0.00 H new ATOM 529 N TRP A 98 0.942 -3.553 0.341 1.00 0.00 N ATOM 530 CA TRP A 98 0.727 -3.475 1.782 1.00 0.00 C ATOM 531 C TRP A 98 -0.752 -3.417 2.137 1.00 0.00 C ATOM 532 O TRP A 98 -1.527 -2.689 1.517 1.00 0.00 O ATOM 533 CB TRP A 98 1.421 -2.246 2.364 1.00 0.00 C ATOM 534 CG TRP A 98 2.913 -2.351 2.380 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.672 -3.373 1.890 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.823 -1.399 2.925 1.00 0.00 C ATOM 537 NE1 TRP A 98 5.005 -3.112 2.102 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.123 -1.900 2.733 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.658 -0.168 3.555 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.255 -1.204 3.152 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.778 0.524 3.971 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.064 0.005 3.767 1.00 0.00 C ATOM 0 H TRP A 98 1.006 -2.648 -0.126 1.00 0.00 H new ATOM 0 HA TRP A 98 1.152 -4.383 2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.133 -1.369 1.785 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.066 -2.087 3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.283 -4.257 1.407 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.779 -3.720 1.834 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.670 0.239 3.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.247 -1.603 2.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.661 1.479 4.461 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.922 0.570 4.101 1.00 0.00 H new ATOM 553 N LYS A 99 -1.124 -4.166 3.166 1.00 0.00 N ATOM 554 CA LYS A 99 -2.494 -4.183 3.647 1.00 0.00 C ATOM 555 C LYS A 99 -2.702 -3.018 4.603 1.00 0.00 C ATOM 556 O LYS A 99 -2.073 -2.958 5.657 1.00 0.00 O ATOM 557 CB LYS A 99 -2.791 -5.503 4.365 1.00 0.00 C ATOM 558 CG LYS A 99 -4.174 -5.562 4.997 1.00 0.00 C ATOM 559 CD LYS A 99 -5.204 -4.880 4.129 1.00 0.00 C ATOM 560 CE LYS A 99 -6.614 -5.311 4.495 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.301 -5.995 3.365 1.00 0.00 N ATOM 0 H LYS A 99 -0.489 -4.773 3.685 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.172 -4.090 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.692 -6.323 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.041 -5.661 5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.460 -6.602 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.149 -5.086 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.113 -3.799 4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.011 -5.114 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.577 -5.980 5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.193 -4.438 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.258 -5.604 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.761 -5.846 2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.365 -7.014 3.563 1.00 0.00 H new ATOM 575 N ALA A 100 -3.570 -2.087 4.234 1.00 0.00 N ATOM 576 CA ALA A 100 -3.825 -0.927 5.078 1.00 0.00 C ATOM 577 C ALA A 100 -5.281 -0.829 5.477 1.00 0.00 C ATOM 578 O ALA A 100 -6.178 -1.121 4.687 1.00 0.00 O ATOM 579 CB ALA A 100 -3.407 0.353 4.372 1.00 0.00 C ATOM 0 H ALA A 100 -4.105 -2.110 3.366 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.231 -1.055 5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.606 1.207 5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.342 0.311 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.973 0.460 3.447 1.00 0.00 H new ATOM 585 N GLN A 101 -5.511 -0.373 6.698 1.00 0.00 N ATOM 586 CA GLN A 101 -6.858 -0.183 7.185 1.00 0.00 C ATOM 587 C GLN A 101 -7.116 1.302 7.286 1.00 0.00 C ATOM 588 O GLN A 101 -6.535 1.989 8.126 1.00 0.00 O ATOM 589 CB GLN A 101 -7.069 -0.854 8.541 1.00 0.00 C ATOM 590 CG GLN A 101 -8.398 -0.512 9.172 1.00 0.00 C ATOM 591 CD GLN A 101 -8.450 -0.836 10.651 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.904 -1.908 11.050 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.983 0.096 11.475 1.00 0.00 N ATOM 0 H GLN A 101 -4.779 -0.129 7.366 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.559 -0.647 6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.999 -1.935 8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.266 -0.556 9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.599 0.550 9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.189 -1.057 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.616 0.971 11.100 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.992 -0.063 12.482 1.00 0.00 H new ATOM 602 N SER A 102 -7.983 1.799 6.425 1.00 0.00 N ATOM 603 CA SER A 102 -8.308 3.204 6.412 1.00 0.00 C ATOM 604 C SER A 102 -8.654 3.675 7.816 1.00 0.00 C ATOM 605 O SER A 102 -8.818 2.864 8.727 1.00 0.00 O ATOM 606 CB SER A 102 -9.461 3.437 5.449 1.00 0.00 C ATOM 607 OG SER A 102 -9.036 4.153 4.301 1.00 0.00 O ATOM 0 H SER A 102 -8.475 1.244 5.724 1.00 0.00 H new ATOM 0 HA SER A 102 -7.448 3.782 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.885 2.479 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.253 3.991 5.953 1.00 0.00 H new ATOM 0 HG SER A 102 -9.797 4.287 3.699 1.00 0.00 H new ATOM 613 N LEU A 103 -8.733 4.979 8.002 1.00 0.00 N ATOM 614 CA LEU A 103 -9.033 5.525 9.318 1.00 0.00 C ATOM 615 C LEU A 103 -10.224 6.468 9.285 1.00 0.00 C ATOM 616 O LEU A 103 -10.906 6.656 10.292 1.00 0.00 O ATOM 617 CB LEU A 103 -7.799 6.208 9.874 1.00 0.00 C ATOM 618 CG LEU A 103 -6.720 5.225 10.329 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.689 5.048 9.235 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.064 5.665 11.626 1.00 0.00 C ATOM 0 H LEU A 103 -8.596 5.676 7.270 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.312 4.703 9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.383 6.868 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.088 6.836 10.717 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.199 4.266 10.525 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.924 4.346 9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.173 4.660 8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.227 6.010 9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.304 4.939 11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.599 6.641 11.486 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.818 5.731 12.411 1.00 0.00 H new ATOM 632 N THR A 104 -10.491 7.034 8.121 1.00 0.00 N ATOM 633 CA THR A 104 -11.619 7.924 7.954 1.00 0.00 C ATOM 634 C THR A 104 -12.870 7.095 7.715 1.00 0.00 C ATOM 635 O THR A 104 -13.949 7.378 8.237 1.00 0.00 O ATOM 636 CB THR A 104 -11.371 8.849 6.774 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.002 9.206 6.691 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.170 10.114 6.855 1.00 0.00 C ATOM 0 H THR A 104 -9.938 6.890 7.276 1.00 0.00 H new ATOM 0 HA THR A 104 -11.750 8.529 8.851 1.00 0.00 H new ATOM 0 HB THR A 104 -11.680 8.291 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.674 9.037 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.954 10.737 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.233 9.873 6.873 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.905 10.654 7.764 1.00 0.00 H new ATOM 646 N THR A 105 -12.684 6.058 6.917 1.00 0.00 N ATOM 647 CA THR A 105 -13.733 5.120 6.557 1.00 0.00 C ATOM 648 C THR A 105 -13.471 3.781 7.229 1.00 0.00 C ATOM 649 O THR A 105 -14.381 3.060 7.635 1.00 0.00 O ATOM 650 CB THR A 105 -13.719 4.933 5.048 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.901 3.834 4.682 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.211 6.141 4.295 1.00 0.00 C ATOM 0 H THR A 105 -11.782 5.840 6.493 1.00 0.00 H new ATOM 0 HA THR A 105 -14.701 5.503 6.881 1.00 0.00 H new ATOM 0 HB THR A 105 -14.761 4.763 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.961 3.690 3.715 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.229 5.936 3.225 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.848 6.999 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.189 6.360 4.606 1.00 0.00 H new ATOM 660 N GLY A 106 -12.189 3.484 7.313 1.00 0.00 N ATOM 661 CA GLY A 106 -11.697 2.267 7.896 1.00 0.00 C ATOM 662 C GLY A 106 -11.731 1.095 6.943 1.00 0.00 C ATOM 663 O GLY A 106 -11.288 -0.001 7.286 1.00 0.00 O ATOM 0 H GLY A 106 -11.452 4.099 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.673 2.422 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.292 2.028 8.778 1.00 0.00 H new ATOM 667 N GLN A 107 -12.237 1.321 5.734 1.00 0.00 N ATOM 668 CA GLN A 107 -12.301 0.282 4.736 1.00 0.00 C ATOM 669 C GLN A 107 -10.963 -0.422 4.593 1.00 0.00 C ATOM 670 O GLN A 107 -9.935 0.208 4.349 1.00 0.00 O ATOM 671 CB GLN A 107 -12.748 0.887 3.426 1.00 0.00 C ATOM 672 CG GLN A 107 -14.251 0.942 3.322 1.00 0.00 C ATOM 673 CD GLN A 107 -14.816 2.327 3.563 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.475 3.280 2.864 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.688 2.443 4.559 1.00 0.00 N ATOM 0 H GLN A 107 -12.608 2.221 5.430 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.024 -0.473 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.340 1.893 3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.347 0.301 2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.553 0.601 2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.684 0.249 4.044 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.942 1.625 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.104 3.350 4.770 1.00 0.00 H new ATOM 684 N GLU A 108 -10.988 -1.731 4.775 1.00 0.00 N ATOM 685 CA GLU A 108 -9.776 -2.535 4.695 1.00 0.00 C ATOM 686 C GLU A 108 -9.548 -3.073 3.288 1.00 0.00 C ATOM 687 O GLU A 108 -10.494 -3.356 2.554 1.00 0.00 O ATOM 688 CB GLU A 108 -9.847 -3.688 5.693 1.00 0.00 C ATOM 689 CG GLU A 108 -9.896 -3.233 7.139 1.00 0.00 C ATOM 690 CD GLU A 108 -11.064 -3.830 7.902 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.362 -5.024 7.693 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.680 -3.100 8.708 1.00 0.00 O ATOM 0 H GLU A 108 -11.834 -2.262 4.980 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.932 -1.891 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.731 -4.289 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.980 -4.334 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.965 -3.509 7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.964 -2.146 7.171 1.00 0.00 H new ATOM 699 N GLY A 109 -8.277 -3.211 2.924 1.00 0.00 N ATOM 700 CA GLY A 109 -7.924 -3.715 1.611 1.00 0.00 C ATOM 701 C GLY A 109 -6.439 -3.598 1.329 1.00 0.00 C ATOM 702 O GLY A 109 -5.683 -3.080 2.151 1.00 0.00 O ATOM 0 H GLY A 109 -7.482 -2.981 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.225 -4.760 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.480 -3.165 0.852 1.00 0.00 H new ATOM 706 N PHE A 110 -6.021 -4.077 0.164 1.00 0.00 N ATOM 707 CA PHE A 110 -4.625 -4.027 -0.231 1.00 0.00 C ATOM 708 C PHE A 110 -4.305 -2.695 -0.898 1.00 0.00 C ATOM 709 O PHE A 110 -5.140 -2.130 -1.603 1.00 0.00 O ATOM 710 CB PHE A 110 -4.322 -5.182 -1.182 1.00 0.00 C ATOM 711 CG PHE A 110 -3.713 -6.377 -0.506 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.225 -6.844 0.695 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.632 -7.033 -1.070 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.667 -7.943 1.320 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.070 -8.134 -0.450 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.589 -8.589 0.746 1.00 0.00 C ATOM 0 H PHE A 110 -6.637 -4.507 -0.526 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.001 -4.121 0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.245 -5.486 -1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.644 -4.832 -1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.069 -6.344 1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.223 -6.681 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.073 -8.297 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.227 -8.637 -0.900 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.153 -9.449 1.232 1.00 0.00 H new ATOM 726 N ILE A 111 -3.099 -2.187 -0.669 1.00 0.00 N ATOM 727 CA ILE A 111 -2.699 -0.913 -1.249 1.00 0.00 C ATOM 728 C ILE A 111 -1.256 -0.937 -1.752 1.00 0.00 C ATOM 729 O ILE A 111 -0.373 -1.532 -1.135 1.00 0.00 O ATOM 730 CB ILE A 111 -2.850 0.236 -0.229 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.870 0.044 0.931 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.280 0.313 0.279 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.336 1.336 1.504 1.00 0.00 C ATOM 0 H ILE A 111 -2.388 -2.634 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.363 -0.743 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.616 1.178 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.366 -0.515 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.032 -0.564 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.368 1.128 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.954 0.493 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.545 -0.627 0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.649 1.115 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.809 1.889 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.164 1.937 1.879 1.00 0.00 H new ATOM 745 N PRO A 112 -1.010 -0.263 -2.881 1.00 0.00 N ATOM 746 CA PRO A 112 0.316 -0.165 -3.480 1.00 0.00 C ATOM 747 C PRO A 112 1.352 0.321 -2.465 1.00 0.00 C ATOM 748 O PRO A 112 1.278 1.454 -1.988 1.00 0.00 O ATOM 749 CB PRO A 112 0.140 0.862 -4.611 1.00 0.00 C ATOM 750 CG PRO A 112 -1.210 1.465 -4.409 1.00 0.00 C ATOM 751 CD PRO A 112 -2.013 0.466 -3.645 1.00 0.00 C ATOM 0 HA PRO A 112 0.680 -1.129 -3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.918 1.624 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.212 0.384 -5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.137 2.404 -3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.681 1.690 -5.366 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.741 0.950 -2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.570 -0.195 -4.310 1.00 0.00 H new ATOM 759 N PHE A 113 2.303 -0.544 -2.125 1.00 0.00 N ATOM 760 CA PHE A 113 3.337 -0.204 -1.149 1.00 0.00 C ATOM 761 C PHE A 113 4.070 1.088 -1.517 1.00 0.00 C ATOM 762 O PHE A 113 4.657 1.740 -0.654 1.00 0.00 O ATOM 763 CB PHE A 113 4.334 -1.361 -1.002 1.00 0.00 C ATOM 764 CG PHE A 113 5.379 -1.419 -2.086 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.039 -1.199 -3.412 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.701 -1.689 -1.774 1.00 0.00 C ATOM 767 CE1 PHE A 113 5.998 -1.251 -4.405 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.665 -1.740 -2.764 1.00 0.00 C ATOM 769 CZ PHE A 113 7.313 -1.521 -4.081 1.00 0.00 C ATOM 0 H PHE A 113 2.380 -1.485 -2.510 1.00 0.00 H new ATOM 0 HA PHE A 113 2.841 -0.036 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.833 -1.275 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.783 -2.301 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.013 -0.985 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.982 -1.862 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.719 -1.081 -5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.693 -1.951 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.064 -1.561 -4.856 1.00 0.00 H new ATOM 779 N ASN A 114 4.041 1.452 -2.796 1.00 0.00 N ATOM 780 CA ASN A 114 4.711 2.662 -3.257 1.00 0.00 C ATOM 781 C ASN A 114 3.713 3.795 -3.471 1.00 0.00 C ATOM 782 O ASN A 114 3.886 4.625 -4.364 1.00 0.00 O ATOM 783 CB ASN A 114 5.470 2.383 -4.555 1.00 0.00 C ATOM 784 CG ASN A 114 4.630 1.627 -5.567 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.065 0.577 -5.261 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.547 2.157 -6.781 1.00 0.00 N ATOM 0 H ASN A 114 3.562 0.928 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 114 5.418 2.970 -2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.797 3.327 -4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.368 1.808 -4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.998 1.692 -7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.032 3.029 -6.991 1.00 0.00 H new ATOM 793 N PHE A 115 2.663 3.819 -2.656 1.00 0.00 N ATOM 794 CA PHE A 115 1.633 4.846 -2.769 1.00 0.00 C ATOM 795 C PHE A 115 1.497 5.663 -1.487 1.00 0.00 C ATOM 796 O PHE A 115 0.993 6.785 -1.512 1.00 0.00 O ATOM 797 CB PHE A 115 0.286 4.201 -3.084 1.00 0.00 C ATOM 798 CG PHE A 115 -0.351 4.715 -4.339 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.385 4.856 -5.504 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.689 5.059 -4.349 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.208 5.332 -6.658 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.287 5.534 -5.494 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.548 5.672 -6.653 1.00 0.00 C ATOM 0 H PHE A 115 2.503 3.140 -1.911 1.00 0.00 H new ATOM 0 HA PHE A 115 1.934 5.516 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.421 3.123 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.392 4.370 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.432 4.591 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.273 4.954 -3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.374 5.438 -7.562 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.334 5.799 -5.486 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.016 6.044 -7.552 1.00 0.00 H new ATOM 813 N VAL A 116 1.902 5.085 -0.360 1.00 0.00 N ATOM 814 CA VAL A 116 1.768 5.767 0.921 1.00 0.00 C ATOM 815 C VAL A 116 3.100 6.100 1.577 1.00 0.00 C ATOM 816 O VAL A 116 4.082 5.366 1.451 1.00 0.00 O ATOM 817 CB VAL A 116 0.931 4.931 1.904 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.493 4.790 1.397 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.567 3.563 2.138 1.00 0.00 C ATOM 0 H VAL A 116 2.321 4.156 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 116 1.266 6.708 0.694 1.00 0.00 H new ATOM 0 HB VAL A 116 0.904 5.451 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.073 4.196 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.943 5.778 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.486 4.295 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.955 2.992 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.634 3.026 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.567 3.693 2.553 1.00 0.00 H new ATOM 829 N ALA A 117 3.098 7.211 2.305 1.00 0.00 N ATOM 830 CA ALA A 117 4.265 7.680 3.034 1.00 0.00 C ATOM 831 C ALA A 117 3.846 8.089 4.441 1.00 0.00 C ATOM 832 O ALA A 117 2.782 8.678 4.625 1.00 0.00 O ATOM 833 CB ALA A 117 4.918 8.845 2.305 1.00 0.00 C ATOM 0 H ALA A 117 2.281 7.813 2.405 1.00 0.00 H new ATOM 0 HA ALA A 117 4.998 6.876 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.790 9.182 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.228 8.524 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.205 9.664 2.216 1.00 0.00 H new ATOM 839 N LYS A 118 4.669 7.761 5.434 1.00 0.00 N ATOM 840 CA LYS A 118 4.359 8.080 6.830 1.00 0.00 C ATOM 841 C LYS A 118 3.723 9.460 6.972 1.00 0.00 C ATOM 842 O LYS A 118 4.117 10.409 6.295 1.00 0.00 O ATOM 843 CB LYS A 118 5.629 8.002 7.685 1.00 0.00 C ATOM 844 CG LYS A 118 5.629 6.853 8.682 1.00 0.00 C ATOM 845 CD LYS A 118 5.082 5.579 8.060 1.00 0.00 C ATOM 846 CE LYS A 118 5.697 4.337 8.686 1.00 0.00 C ATOM 847 NZ LYS A 118 7.082 4.095 8.195 1.00 0.00 N ATOM 0 H LYS A 118 5.556 7.275 5.301 1.00 0.00 H new ATOM 0 HA LYS A 118 3.636 7.343 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.492 7.900 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.749 8.940 8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.644 6.679 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.028 7.123 9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 118 3.999 5.550 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.281 5.583 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.710 4.446 9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.075 3.471 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.422 3.179 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.085 4.084 7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.708 4.853 8.535 1.00 0.00 H new ATOM 861 N ALA A 119 2.736 9.559 7.862 1.00 0.00 N ATOM 862 CA ALA A 119 2.042 10.826 8.104 1.00 0.00 C ATOM 863 C ALA A 119 2.952 11.824 8.816 1.00 0.00 C ATOM 864 O ALA A 119 2.578 12.405 9.835 1.00 0.00 O ATOM 865 CB ALA A 119 0.770 10.605 8.922 1.00 0.00 C ATOM 0 H ALA A 119 2.399 8.780 8.427 1.00 0.00 H new ATOM 0 HA ALA A 119 1.766 11.239 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.273 11.561 9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.100 9.937 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.028 10.159 9.882 1.00 0.00 H new ATOM 871 N ASN A 120 4.150 12.017 8.274 1.00 0.00 N ATOM 872 CA ASN A 120 5.112 12.944 8.858 1.00 0.00 C ATOM 873 C ASN A 120 6.063 13.482 7.792 1.00 0.00 C ATOM 874 O ASN A 120 6.092 14.715 7.596 1.00 0.00 O ATOM 875 CB ASN A 120 5.907 12.253 9.968 1.00 0.00 C ATOM 876 CG ASN A 120 5.382 12.594 11.350 1.00 0.00 C ATOM 877 OD1 ASN A 120 4.642 13.561 11.525 1.00 0.00 O ATOM 878 ND2 ASN A 120 5.766 11.797 12.341 1.00 0.00 N ATOM 879 OXT ASN A 120 6.771 12.666 7.165 1.00 0.00 O ATOM 0 H ASN A 120 4.478 11.544 7.432 1.00 0.00 H new ATOM 0 HA ASN A 120 4.561 13.783 9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 120 5.867 11.173 9.823 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.955 12.545 9.897 1.00 0.00 H new ATOM 0 HD21 ASN A 120 5.446 11.976 13.293 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.381 11.006 12.150 1.00 0.00 H new