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 175:sc= -0.275 USER MOD Set 1.2: A 107 GLN : amide:sc= -2.48! C(o=-2.8!,f=-8!) USER MOD Single : A 70 HIS : no HE2:sc= -5.79! C(o=-5.8!,f=-5.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.085 USER MOD Single : A 72 TYR OH : rot 60:sc= -1.08! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=-0.16) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -128:sc= -2.64 (180deg=-7.12!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0916 USER MOD Single : A 104 THR OG1 : rot 125:sc= 1.06 USER MOD Single : A 114 ASN : amide:sc= 0.218 K(o=0.22,f=-0.38) USER MOD Single : A 118 LYS NZ :NH3+ -151:sc= -0.0613 (180deg=-0.463) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.120 3.786 10.658 1.00 0.00 N ATOM 16 CA LEU A 65 0.217 4.538 9.815 1.00 0.00 C ATOM 17 C LEU A 65 0.975 5.370 8.805 1.00 0.00 C ATOM 18 O LEU A 65 2.029 5.936 9.092 1.00 0.00 O ATOM 19 CB LEU A 65 -0.699 5.434 10.640 1.00 0.00 C ATOM 20 CG LEU A 65 -1.422 6.506 9.844 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.255 5.867 8.749 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.289 7.364 10.752 1.00 0.00 C ATOM 0 HA LEU A 65 -0.398 3.814 9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.440 4.811 11.141 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.108 5.915 11.419 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.679 7.156 9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.770 6.644 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.605 5.302 8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.989 5.196 9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.796 8.124 10.158 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.030 6.736 11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.663 7.847 11.502 1.00 0.00 H new ATOM 34 N VAL A 66 0.416 5.421 7.617 1.00 0.00 N ATOM 35 CA VAL A 66 1.004 6.164 6.520 1.00 0.00 C ATOM 36 C VAL A 66 0.022 7.148 5.899 1.00 0.00 C ATOM 37 O VAL A 66 -1.122 7.269 6.331 1.00 0.00 O ATOM 38 CB VAL A 66 1.490 5.216 5.426 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.813 4.582 5.817 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.443 4.151 5.127 1.00 0.00 C ATOM 0 H VAL A 66 -0.458 4.950 7.382 1.00 0.00 H new ATOM 0 HA VAL A 66 1.841 6.721 6.940 1.00 0.00 H new ATOM 0 HB VAL A 66 1.647 5.796 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.143 3.910 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.560 5.362 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.687 4.019 6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.812 3.488 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.244 3.573 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.478 4.629 4.793 1.00 0.00 H new ATOM 50 N ILE A 67 0.482 7.840 4.867 1.00 0.00 N ATOM 51 CA ILE A 67 -0.341 8.805 4.166 1.00 0.00 C ATOM 52 C ILE A 67 -0.059 8.764 2.670 1.00 0.00 C ATOM 53 O ILE A 67 1.084 8.901 2.233 1.00 0.00 O ATOM 54 CB ILE A 67 -0.153 10.235 4.729 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.410 10.626 5.492 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.139 11.245 3.626 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.472 12.076 5.919 1.00 0.00 C ATOM 0 H ILE A 67 1.428 7.747 4.497 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.383 8.530 4.327 1.00 0.00 H new ATOM 0 HB ILE A 67 0.708 10.239 5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.278 10.409 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.489 9.998 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.264 12.235 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.053 10.960 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.691 11.263 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.403 12.258 6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.628 12.299 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.429 12.717 5.038 1.00 0.00 H new ATOM 69 N ALA A 68 -1.112 8.557 1.895 1.00 0.00 N ATOM 70 CA ALA A 68 -0.996 8.471 0.444 1.00 0.00 C ATOM 71 C ALA A 68 -0.443 9.756 -0.163 1.00 0.00 C ATOM 72 O ALA A 68 -0.637 10.847 0.371 1.00 0.00 O ATOM 73 CB ALA A 68 -2.342 8.132 -0.176 1.00 0.00 C ATOM 0 H ALA A 68 -2.063 8.445 2.247 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.288 7.673 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.239 8.071 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.689 7.173 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.065 8.908 0.077 1.00 0.00 H new ATOM 79 N LEU A 69 0.240 9.608 -1.293 1.00 0.00 N ATOM 80 CA LEU A 69 0.822 10.739 -2.004 1.00 0.00 C ATOM 81 C LEU A 69 0.245 10.847 -3.414 1.00 0.00 C ATOM 82 O LEU A 69 0.778 11.563 -4.261 1.00 0.00 O ATOM 83 CB LEU A 69 2.340 10.578 -2.085 1.00 0.00 C ATOM 84 CG LEU A 69 3.075 10.724 -0.750 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.572 10.486 -0.919 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.823 12.103 -0.161 1.00 0.00 C ATOM 0 H LEU A 69 0.405 8.706 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 69 0.580 11.649 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.565 9.596 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.733 11.318 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 69 2.689 9.970 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.069 10.596 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.739 9.479 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.979 11.213 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.351 12.195 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.183 12.865 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.754 12.239 0.003 1.00 0.00 H new ATOM 98 N HIS A 70 -0.840 10.116 -3.666 1.00 0.00 N ATOM 99 CA HIS A 70 -1.478 10.116 -4.978 1.00 0.00 C ATOM 100 C HIS A 70 -2.840 9.428 -4.914 1.00 0.00 C ATOM 101 O HIS A 70 -3.006 8.426 -4.220 1.00 0.00 O ATOM 102 CB HIS A 70 -0.589 9.408 -6.017 1.00 0.00 C ATOM 103 CG HIS A 70 0.597 8.685 -5.439 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.804 8.582 -6.095 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.760 8.038 -4.259 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.656 7.907 -5.345 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.049 7.567 -4.225 1.00 0.00 N ATOM 0 H HIS A 70 -1.294 9.516 -2.977 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.618 11.153 -5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.199 8.694 -6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.233 10.147 -6.735 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.008 8.967 -7.017 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.014 7.916 -3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.678 7.673 -5.605 1.00 0.00 H new ATOM 116 N SER A 71 -3.810 9.966 -5.649 1.00 0.00 N ATOM 117 CA SER A 71 -5.152 9.391 -5.676 1.00 0.00 C ATOM 118 C SER A 71 -5.101 7.942 -6.144 1.00 0.00 C ATOM 119 O SER A 71 -4.567 7.646 -7.214 1.00 0.00 O ATOM 120 CB SER A 71 -6.064 10.203 -6.596 1.00 0.00 C ATOM 121 OG SER A 71 -5.599 11.534 -6.732 1.00 0.00 O ATOM 0 H SER A 71 -3.693 10.795 -6.231 1.00 0.00 H new ATOM 0 HA SER A 71 -5.556 9.421 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.111 9.729 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.078 10.208 -6.196 1.00 0.00 H new ATOM 0 HG SER A 71 -6.199 12.031 -7.327 1.00 0.00 H new ATOM 127 N TYR A 72 -5.641 7.039 -5.335 1.00 0.00 N ATOM 128 CA TYR A 72 -5.632 5.617 -5.677 1.00 0.00 C ATOM 129 C TYR A 72 -6.988 5.118 -6.159 1.00 0.00 C ATOM 130 O TYR A 72 -8.037 5.566 -5.698 1.00 0.00 O ATOM 131 CB TYR A 72 -5.192 4.772 -4.482 1.00 0.00 C ATOM 132 CG TYR A 72 -4.930 3.325 -4.843 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.113 2.991 -5.916 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.510 2.296 -4.115 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.883 1.671 -6.251 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.285 0.975 -4.446 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.472 0.669 -5.513 1.00 0.00 C ATOM 138 OH TYR A 72 -4.249 -0.645 -5.847 1.00 0.00 O ATOM 0 H TYR A 72 -6.087 7.260 -4.445 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.920 5.510 -6.495 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.287 5.203 -4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.962 4.815 -3.711 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.651 3.775 -6.497 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.148 2.532 -3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.245 1.426 -7.087 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.745 0.185 -3.870 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.290 -0.839 -5.791 1.00 0.00 H new ATOM 148 N GLU A 73 -6.941 4.161 -7.083 1.00 0.00 N ATOM 149 CA GLU A 73 -8.133 3.551 -7.637 1.00 0.00 C ATOM 150 C GLU A 73 -7.947 2.036 -7.735 1.00 0.00 C ATOM 151 O GLU A 73 -7.389 1.528 -8.709 1.00 0.00 O ATOM 152 CB GLU A 73 -8.425 4.134 -9.002 1.00 0.00 C ATOM 153 CG GLU A 73 -9.735 4.892 -9.066 1.00 0.00 C ATOM 154 CD GLU A 73 -9.864 5.732 -10.322 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.334 5.315 -11.373 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.496 6.808 -10.253 1.00 0.00 O ATOM 0 H GLU A 73 -6.071 3.791 -7.465 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.978 3.758 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.612 4.804 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.444 3.329 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.562 4.184 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.820 5.537 -8.192 1.00 0.00 H new ATOM 163 N PRO A 74 -8.404 1.306 -6.710 1.00 0.00 N ATOM 164 CA PRO A 74 -8.303 -0.148 -6.625 1.00 0.00 C ATOM 165 C PRO A 74 -8.477 -0.847 -7.969 1.00 0.00 C ATOM 166 O PRO A 74 -9.402 -0.548 -8.725 1.00 0.00 O ATOM 167 CB PRO A 74 -9.441 -0.528 -5.661 1.00 0.00 C ATOM 168 CG PRO A 74 -10.046 0.765 -5.195 1.00 0.00 C ATOM 169 CD PRO A 74 -9.061 1.845 -5.534 1.00 0.00 C ATOM 0 HA PRO A 74 -7.314 -0.460 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.185 -1.147 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.061 -1.106 -4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.002 0.945 -5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.238 0.739 -4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.554 2.794 -5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.357 2.024 -4.721 1.00 0.00 H new ATOM 177 N SER A 75 -7.577 -1.783 -8.254 1.00 0.00 N ATOM 178 CA SER A 75 -7.617 -2.538 -9.501 1.00 0.00 C ATOM 179 C SER A 75 -7.510 -4.036 -9.230 1.00 0.00 C ATOM 180 O SER A 75 -8.221 -4.838 -9.835 1.00 0.00 O ATOM 181 CB SER A 75 -6.486 -2.092 -10.429 1.00 0.00 C ATOM 182 OG SER A 75 -6.914 -2.065 -11.779 1.00 0.00 O ATOM 0 H SER A 75 -6.808 -2.037 -7.635 1.00 0.00 H new ATOM 0 HA SER A 75 -8.573 -2.341 -9.987 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.139 -1.102 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.639 -2.770 -10.326 1.00 0.00 H new ATOM 0 HG SER A 75 -6.173 -1.775 -12.351 1.00 0.00 H new ATOM 188 N HIS A 76 -6.617 -4.406 -8.316 1.00 0.00 N ATOM 189 CA HIS A 76 -6.420 -5.809 -7.964 1.00 0.00 C ATOM 190 C HIS A 76 -7.501 -6.280 -6.997 1.00 0.00 C ATOM 191 O HIS A 76 -8.119 -5.474 -6.301 1.00 0.00 O ATOM 192 CB HIS A 76 -5.035 -6.015 -7.342 1.00 0.00 C ATOM 193 CG HIS A 76 -4.024 -6.563 -8.301 1.00 0.00 C ATOM 194 ND1 HIS A 76 -4.017 -6.257 -9.645 1.00 0.00 N ATOM 195 CD2 HIS A 76 -2.978 -7.402 -8.103 1.00 0.00 C ATOM 196 CE1 HIS A 76 -3.014 -6.885 -10.233 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.369 -7.586 -9.319 1.00 0.00 N ATOM 0 H HIS A 76 -6.019 -3.755 -7.807 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.489 -6.401 -8.877 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.675 -5.063 -6.952 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.124 -6.693 -6.493 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.680 -7.843 -7.164 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.764 -6.834 -11.283 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.550 -8.170 -9.489 1.00 0.00 H new ATOM 206 N ASP A 77 -7.723 -7.589 -6.957 1.00 0.00 N ATOM 207 CA ASP A 77 -8.730 -8.166 -6.073 1.00 0.00 C ATOM 208 C ASP A 77 -8.323 -8.004 -4.612 1.00 0.00 C ATOM 209 O ASP A 77 -7.179 -8.271 -4.243 1.00 0.00 O ATOM 210 CB ASP A 77 -8.937 -9.647 -6.397 1.00 0.00 C ATOM 211 CG ASP A 77 -7.629 -10.408 -6.481 1.00 0.00 C ATOM 212 OD1 ASP A 77 -6.757 -10.003 -7.279 1.00 0.00 O ATOM 213 OD2 ASP A 77 -7.476 -11.410 -5.751 1.00 0.00 O ATOM 0 H ASP A 77 -7.220 -8.270 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.668 -7.634 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.569 -10.099 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.469 -9.738 -7.344 1.00 0.00 H new ATOM 218 N GLY A 78 -9.265 -7.564 -3.784 1.00 0.00 N ATOM 219 CA GLY A 78 -8.981 -7.374 -2.374 1.00 0.00 C ATOM 220 C GLY A 78 -8.124 -6.151 -2.118 1.00 0.00 C ATOM 221 O GLY A 78 -7.285 -6.153 -1.218 1.00 0.00 O ATOM 0 H GLY A 78 -10.219 -7.336 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.919 -7.278 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.474 -8.257 -1.986 1.00 0.00 H new ATOM 225 N ASP A 79 -8.336 -5.103 -2.909 1.00 0.00 N ATOM 226 CA ASP A 79 -7.572 -3.872 -2.759 1.00 0.00 C ATOM 227 C ASP A 79 -8.403 -2.792 -2.077 1.00 0.00 C ATOM 228 O ASP A 79 -9.633 -2.808 -2.129 1.00 0.00 O ATOM 229 CB ASP A 79 -7.089 -3.371 -4.119 1.00 0.00 C ATOM 230 CG ASP A 79 -6.050 -4.286 -4.735 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.238 -5.519 -4.684 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.047 -3.767 -5.267 1.00 0.00 O ATOM 0 H ASP A 79 -9.029 -5.083 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.707 -4.092 -2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.940 -3.285 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.669 -2.372 -4.007 1.00 0.00 H new ATOM 237 N LEU A 80 -7.715 -1.852 -1.447 1.00 0.00 N ATOM 238 CA LEU A 80 -8.367 -0.748 -0.756 1.00 0.00 C ATOM 239 C LEU A 80 -8.078 0.562 -1.481 1.00 0.00 C ATOM 240 O LEU A 80 -6.931 0.853 -1.822 1.00 0.00 O ATOM 241 CB LEU A 80 -7.885 -0.681 0.701 1.00 0.00 C ATOM 242 CG LEU A 80 -7.940 0.699 1.359 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.382 1.131 1.591 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.170 0.694 2.670 1.00 0.00 C ATOM 0 H LEU A 80 -6.696 -1.832 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.445 -0.912 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.486 -1.370 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.857 -1.040 0.740 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.473 1.417 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.396 2.115 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.906 1.176 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.877 0.411 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.219 1.683 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.609 -0.039 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.129 0.434 2.479 1.00 0.00 H new ATOM 256 N GLY A 81 -9.120 1.350 -1.715 1.00 0.00 N ATOM 257 CA GLY A 81 -8.944 2.615 -2.398 1.00 0.00 C ATOM 258 C GLY A 81 -8.842 3.779 -1.438 1.00 0.00 C ATOM 259 O GLY A 81 -9.513 3.806 -0.407 1.00 0.00 O ATOM 0 H GLY A 81 -10.080 1.136 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.043 2.572 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.782 2.779 -3.076 1.00 0.00 H new ATOM 263 N PHE A 82 -7.996 4.739 -1.780 1.00 0.00 N ATOM 264 CA PHE A 82 -7.797 5.912 -0.945 1.00 0.00 C ATOM 265 C PHE A 82 -7.518 7.138 -1.796 1.00 0.00 C ATOM 266 O PHE A 82 -7.420 7.051 -3.019 1.00 0.00 O ATOM 267 CB PHE A 82 -6.643 5.689 0.033 1.00 0.00 C ATOM 268 CG PHE A 82 -5.491 4.907 -0.544 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.637 3.567 -0.864 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.264 5.513 -0.762 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.583 2.848 -1.392 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.203 4.794 -1.289 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.366 3.462 -1.605 1.00 0.00 C ATOM 0 H PHE A 82 -7.436 4.728 -2.632 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.713 6.078 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.277 6.658 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.021 5.165 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.586 3.079 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.133 6.557 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.711 1.804 -1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.250 5.276 -1.452 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.542 2.900 -2.019 1.00 0.00 H new ATOM 283 N GLU A 83 -7.394 8.280 -1.139 1.00 0.00 N ATOM 284 CA GLU A 83 -7.130 9.527 -1.833 1.00 0.00 C ATOM 285 C GLU A 83 -5.711 10.011 -1.563 1.00 0.00 C ATOM 286 O GLU A 83 -4.998 9.443 -0.736 1.00 0.00 O ATOM 287 CB GLU A 83 -8.137 10.584 -1.386 1.00 0.00 C ATOM 288 CG GLU A 83 -9.201 10.884 -2.425 1.00 0.00 C ATOM 289 CD GLU A 83 -9.424 12.371 -2.621 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.469 13.067 -3.026 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.554 12.840 -2.371 1.00 0.00 O ATOM 0 H GLU A 83 -7.472 8.368 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.232 9.357 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.621 10.249 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.604 11.504 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.912 10.436 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.139 10.417 -2.124 1.00 0.00 H new ATOM 298 N LYS A 84 -5.309 11.071 -2.250 1.00 0.00 N ATOM 299 CA LYS A 84 -3.983 11.634 -2.056 1.00 0.00 C ATOM 300 C LYS A 84 -3.937 12.341 -0.706 1.00 0.00 C ATOM 301 O LYS A 84 -4.806 13.155 -0.389 1.00 0.00 O ATOM 302 CB LYS A 84 -3.636 12.588 -3.202 1.00 0.00 C ATOM 303 CG LYS A 84 -2.533 13.586 -2.874 1.00 0.00 C ATOM 304 CD LYS A 84 -2.637 14.833 -3.734 1.00 0.00 C ATOM 305 CE LYS A 84 -2.031 14.613 -5.110 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.334 15.831 -5.611 1.00 0.00 N ATOM 0 H LYS A 84 -5.880 11.555 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.238 10.839 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.333 12.001 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.534 13.137 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.593 13.863 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.560 13.118 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.684 15.118 -3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.129 15.661 -3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.326 13.783 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.816 14.329 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.934 15.640 -6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.012 16.617 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.568 16.087 -4.955 1.00 0.00 H new ATOM 320 N GLY A 85 -2.945 11.994 0.102 1.00 0.00 N ATOM 321 CA GLY A 85 -2.833 12.571 1.429 1.00 0.00 C ATOM 322 C GLY A 85 -3.647 11.789 2.440 1.00 0.00 C ATOM 323 O GLY A 85 -3.474 11.952 3.649 1.00 0.00 O ATOM 0 H GLY A 85 -2.215 11.323 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.787 12.586 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.173 13.606 1.408 1.00 0.00 H new ATOM 327 N GLU A 86 -4.526 10.918 1.941 1.00 0.00 N ATOM 328 CA GLU A 86 -5.356 10.085 2.795 1.00 0.00 C ATOM 329 C GLU A 86 -4.482 9.293 3.747 1.00 0.00 C ATOM 330 O GLU A 86 -3.273 9.195 3.550 1.00 0.00 O ATOM 331 CB GLU A 86 -6.183 9.122 1.937 1.00 0.00 C ATOM 332 CG GLU A 86 -7.604 8.855 2.420 1.00 0.00 C ATOM 333 CD GLU A 86 -8.020 9.679 3.627 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.248 10.897 3.464 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.117 9.107 4.732 1.00 0.00 O ATOM 0 H GLU A 86 -4.677 10.775 0.942 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.028 10.723 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.233 9.520 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.654 8.171 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.297 9.055 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.699 7.798 2.667 1.00 0.00 H new ATOM 342 N GLN A 87 -5.093 8.722 4.767 1.00 0.00 N ATOM 343 CA GLN A 87 -4.352 7.936 5.737 1.00 0.00 C ATOM 344 C GLN A 87 -4.906 6.529 5.835 1.00 0.00 C ATOM 345 O GLN A 87 -6.104 6.298 5.668 1.00 0.00 O ATOM 346 CB GLN A 87 -4.367 8.605 7.109 1.00 0.00 C ATOM 347 CG GLN A 87 -4.150 10.104 7.049 1.00 0.00 C ATOM 348 CD GLN A 87 -5.026 10.863 8.026 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.689 11.834 7.658 1.00 0.00 O ATOM 350 NE2 GLN A 87 -5.034 10.425 9.280 1.00 0.00 N ATOM 0 H GLN A 87 -6.095 8.786 4.946 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.320 7.876 5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.322 8.403 7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.592 8.158 7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.103 10.324 7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.352 10.456 6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.469 9.617 9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.605 10.897 9.981 1.00 0.00 H new ATOM 359 N LEU A 88 -4.014 5.597 6.108 1.00 0.00 N ATOM 360 CA LEU A 88 -4.375 4.192 6.235 1.00 0.00 C ATOM 361 C LEU A 88 -3.479 3.513 7.244 1.00 0.00 C ATOM 362 O LEU A 88 -2.253 3.571 7.142 1.00 0.00 O ATOM 363 CB LEU A 88 -4.251 3.454 4.903 1.00 0.00 C ATOM 364 CG LEU A 88 -4.454 4.296 3.646 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.361 3.999 2.633 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.826 4.023 3.057 1.00 0.00 C ATOM 0 H LEU A 88 -3.022 5.787 6.248 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.414 4.156 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.262 2.998 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.977 2.641 4.892 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.395 5.352 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.517 4.606 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.389 4.235 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.392 2.943 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.964 4.627 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.908 2.967 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.593 4.278 3.788 1.00 0.00 H new ATOM 378 N ARG A 89 -4.093 2.852 8.199 1.00 0.00 N ATOM 379 CA ARG A 89 -3.354 2.145 9.208 1.00 0.00 C ATOM 380 C ARG A 89 -2.888 0.812 8.642 1.00 0.00 C ATOM 381 O ARG A 89 -3.672 -0.122 8.482 1.00 0.00 O ATOM 382 CB ARG A 89 -4.221 1.951 10.440 1.00 0.00 C ATOM 383 CG ARG A 89 -3.643 0.958 11.410 1.00 0.00 C ATOM 384 CD ARG A 89 -4.455 0.901 12.686 1.00 0.00 C ATOM 385 NE ARG A 89 -3.684 0.356 13.798 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.226 -0.212 14.874 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.546 -0.304 14.992 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.448 -0.684 15.838 1.00 0.00 N ATOM 0 H ARG A 89 -5.107 2.792 8.294 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.477 2.721 9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.350 2.910 10.942 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.212 1.617 10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.615 -0.030 10.950 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.614 1.230 11.643 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.801 1.903 12.941 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.342 0.288 12.525 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.667 0.413 13.748 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.151 0.061 14.256 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.955 -0.740 15.818 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.434 -0.612 15.756 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.864 -1.119 16.662 1.00 0.00 H new ATOM 402 N ILE A 90 -1.612 0.753 8.309 1.00 0.00 N ATOM 403 CA ILE A 90 -1.025 -0.440 7.719 1.00 0.00 C ATOM 404 C ILE A 90 -1.165 -1.655 8.620 1.00 0.00 C ATOM 405 O ILE A 90 -0.529 -1.751 9.670 1.00 0.00 O ATOM 406 CB ILE A 90 0.464 -0.224 7.370 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.642 1.067 6.574 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.003 -1.400 6.577 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.035 1.047 5.219 1.00 0.00 C ATOM 0 H ILE A 90 -0.956 1.523 8.438 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.581 -0.630 6.801 1.00 0.00 H new ATOM 0 HB ILE A 90 1.025 -0.145 8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.246 1.899 7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.707 1.254 6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.053 -1.229 6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.908 -2.311 7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.436 -1.506 5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.135 1.997 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.378 0.237 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.106 0.893 5.350 1.00 0.00 H new ATOM 421 N LEU A 91 -1.992 -2.589 8.174 1.00 0.00 N ATOM 422 CA LEU A 91 -2.223 -3.828 8.895 1.00 0.00 C ATOM 423 C LEU A 91 -1.067 -4.770 8.618 1.00 0.00 C ATOM 424 O LEU A 91 -0.478 -5.356 9.526 1.00 0.00 O ATOM 425 CB LEU A 91 -3.539 -4.447 8.426 1.00 0.00 C ATOM 426 CG LEU A 91 -4.693 -3.449 8.302 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.944 -4.116 7.753 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.977 -2.791 9.646 1.00 0.00 C ATOM 0 H LEU A 91 -2.519 -2.508 7.305 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.288 -3.640 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.379 -4.923 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.827 -5.233 9.124 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.393 -2.676 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.745 -3.381 7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.734 -4.527 6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.251 -4.920 8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.800 -2.085 9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.247 -3.555 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.087 -2.262 9.987 1.00 0.00 H new ATOM 440 N GLU A 92 -0.734 -4.870 7.341 1.00 0.00 N ATOM 441 CA GLU A 92 0.373 -5.690 6.885 1.00 0.00 C ATOM 442 C GLU A 92 1.099 -4.977 5.757 1.00 0.00 C ATOM 443 O GLU A 92 0.522 -4.124 5.083 1.00 0.00 O ATOM 444 CB GLU A 92 -0.114 -7.064 6.433 1.00 0.00 C ATOM 445 CG GLU A 92 0.412 -8.186 7.308 1.00 0.00 C ATOM 446 CD GLU A 92 -0.690 -8.920 8.047 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.753 -9.165 7.439 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.489 -9.249 9.236 1.00 0.00 O ATOM 0 H GLU A 92 -1.226 -4.383 6.591 1.00 0.00 H new ATOM 0 HA GLU A 92 1.064 -5.843 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.204 -7.081 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.198 -7.235 5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.963 -8.895 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.118 -7.777 8.031 1.00 0.00 H new ATOM 455 N GLN A 93 2.371 -5.296 5.567 1.00 0.00 N ATOM 456 CA GLN A 93 3.156 -4.642 4.532 1.00 0.00 C ATOM 457 C GLN A 93 4.084 -5.618 3.825 1.00 0.00 C ATOM 458 O GLN A 93 5.208 -5.271 3.464 1.00 0.00 O ATOM 459 CB GLN A 93 3.955 -3.496 5.141 1.00 0.00 C ATOM 460 CG GLN A 93 4.244 -3.700 6.602 1.00 0.00 C ATOM 461 CD GLN A 93 4.967 -2.528 7.236 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.560 -1.377 7.084 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.047 -2.818 7.951 1.00 0.00 N ATOM 0 H GLN A 93 2.877 -5.996 6.110 1.00 0.00 H new ATOM 0 HA GLN A 93 2.468 -4.249 3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.896 -3.387 4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.403 -2.565 5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.306 -3.870 7.131 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.847 -4.600 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.348 -3.788 8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.576 -2.071 8.401 1.00 0.00 H new ATOM 472 N SER A 94 3.603 -6.835 3.617 1.00 0.00 N ATOM 473 CA SER A 94 4.388 -7.851 2.939 1.00 0.00 C ATOM 474 C SER A 94 4.243 -7.708 1.430 1.00 0.00 C ATOM 475 O SER A 94 3.133 -7.592 0.910 1.00 0.00 O ATOM 476 CB SER A 94 3.955 -9.247 3.391 1.00 0.00 C ATOM 477 OG SER A 94 3.669 -10.091 2.286 1.00 0.00 O ATOM 0 H SER A 94 2.674 -7.141 3.908 1.00 0.00 H new ATOM 0 HA SER A 94 5.438 -7.715 3.200 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.743 -9.694 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.073 -9.167 4.026 1.00 0.00 H new ATOM 0 HG SER A 94 3.397 -10.975 2.611 1.00 0.00 H new ATOM 483 N GLY A 95 5.369 -7.717 0.733 1.00 0.00 N ATOM 484 CA GLY A 95 5.341 -7.587 -0.711 1.00 0.00 C ATOM 485 C GLY A 95 5.005 -6.193 -1.171 1.00 0.00 C ATOM 486 O GLY A 95 4.550 -5.355 -0.393 1.00 0.00 O ATOM 0 H GLY A 95 6.300 -7.812 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.312 -7.872 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.609 -8.284 -1.119 1.00 0.00 H new ATOM 490 N GLU A 96 5.227 -5.957 -2.455 1.00 0.00 N ATOM 491 CA GLU A 96 4.952 -4.672 -3.076 1.00 0.00 C ATOM 492 C GLU A 96 3.565 -4.143 -2.693 1.00 0.00 C ATOM 493 O GLU A 96 3.300 -2.948 -2.801 1.00 0.00 O ATOM 494 CB GLU A 96 5.078 -4.818 -4.586 1.00 0.00 C ATOM 495 CG GLU A 96 4.058 -4.015 -5.335 1.00 0.00 C ATOM 496 CD GLU A 96 4.273 -4.025 -6.835 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.420 -4.257 -7.269 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.294 -3.798 -7.576 1.00 0.00 O ATOM 0 H GLU A 96 5.604 -6.654 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 96 5.678 -3.944 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.076 -4.507 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.975 -5.869 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.065 -4.405 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.082 -2.985 -4.978 1.00 0.00 H new ATOM 505 N TRP A 97 2.678 -5.032 -2.258 1.00 0.00 N ATOM 506 CA TRP A 97 1.332 -4.631 -1.874 1.00 0.00 C ATOM 507 C TRP A 97 1.148 -4.719 -0.361 1.00 0.00 C ATOM 508 O TRP A 97 1.272 -5.792 0.229 1.00 0.00 O ATOM 509 CB TRP A 97 0.306 -5.505 -2.590 1.00 0.00 C ATOM 510 CG TRP A 97 0.147 -5.138 -4.034 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.896 -5.589 -5.082 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.810 -4.228 -4.584 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.465 -5.011 -6.251 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.582 -4.171 -5.971 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.836 -3.456 -4.037 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.343 -3.369 -6.818 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.590 -2.662 -4.877 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.340 -2.622 -6.254 1.00 0.00 C ATOM 0 H TRP A 97 2.867 -6.030 -2.163 1.00 0.00 H new ATOM 0 HA TRP A 97 1.181 -3.593 -2.170 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.608 -6.550 -2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.657 -5.415 -2.087 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.708 -6.296 -5.004 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.859 -5.179 -7.176 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.036 -3.480 -2.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.153 -3.338 -7.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.387 -2.061 -4.465 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.947 -1.988 -6.884 1.00 0.00 H new ATOM 529 N TRP A 98 0.864 -3.577 0.264 1.00 0.00 N ATOM 530 CA TRP A 98 0.679 -3.520 1.710 1.00 0.00 C ATOM 531 C TRP A 98 -0.792 -3.460 2.093 1.00 0.00 C ATOM 532 O TRP A 98 -1.584 -2.755 1.469 1.00 0.00 O ATOM 533 CB TRP A 98 1.393 -2.301 2.287 1.00 0.00 C ATOM 534 CG TRP A 98 2.884 -2.409 2.248 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.620 -3.421 1.707 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.817 -1.471 2.780 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.961 -3.170 1.874 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.107 -1.972 2.529 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.681 -0.255 3.442 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.257 -1.291 2.921 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.819 0.424 3.832 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.095 -0.096 3.569 1.00 0.00 C ATOM 0 H TRP A 98 0.757 -2.680 -0.210 1.00 0.00 H new ATOM 0 HA TRP A 98 1.105 -4.434 2.123 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.086 -1.414 1.733 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.074 -2.158 3.319 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.209 -4.292 1.219 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.722 -3.774 1.563 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.702 0.151 3.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.240 -1.691 2.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.725 1.369 4.347 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.967 0.458 3.884 1.00 0.00 H new ATOM 553 N LYS A 99 -1.140 -4.184 3.150 1.00 0.00 N ATOM 554 CA LYS A 99 -2.501 -4.196 3.654 1.00 0.00 C ATOM 555 C LYS A 99 -2.697 -3.024 4.606 1.00 0.00 C ATOM 556 O LYS A 99 -2.070 -2.967 5.662 1.00 0.00 O ATOM 557 CB LYS A 99 -2.788 -5.513 4.383 1.00 0.00 C ATOM 558 CG LYS A 99 -4.141 -5.554 5.075 1.00 0.00 C ATOM 559 CD LYS A 99 -5.200 -4.860 4.254 1.00 0.00 C ATOM 560 CE LYS A 99 -6.597 -5.278 4.677 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.338 -5.955 3.576 1.00 0.00 N ATOM 0 H LYS A 99 -0.492 -4.772 3.675 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.192 -4.105 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.733 -6.333 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.007 -5.684 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.432 -6.590 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.066 -5.078 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.095 -3.780 4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.054 -5.092 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.530 -5.948 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.155 -4.400 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.263 -5.498 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.791 -5.883 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.477 -6.957 3.816 1.00 0.00 H new ATOM 575 N ALA A 100 -3.554 -2.084 4.231 1.00 0.00 N ATOM 576 CA ALA A 100 -3.799 -0.919 5.068 1.00 0.00 C ATOM 577 C ALA A 100 -5.258 -0.805 5.455 1.00 0.00 C ATOM 578 O ALA A 100 -6.151 -1.083 4.656 1.00 0.00 O ATOM 579 CB ALA A 100 -3.362 0.355 4.363 1.00 0.00 C ATOM 0 H ALA A 100 -4.086 -2.105 3.361 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.210 -1.050 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.555 1.212 5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.296 0.301 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.921 0.467 3.434 1.00 0.00 H new ATOM 585 N GLN A 101 -5.494 -0.354 6.678 1.00 0.00 N ATOM 586 CA GLN A 101 -6.842 -0.155 7.154 1.00 0.00 C ATOM 587 C GLN A 101 -7.102 1.332 7.235 1.00 0.00 C ATOM 588 O GLN A 101 -6.526 2.030 8.069 1.00 0.00 O ATOM 589 CB GLN A 101 -7.059 -0.809 8.518 1.00 0.00 C ATOM 590 CG GLN A 101 -8.391 -0.456 9.142 1.00 0.00 C ATOM 591 CD GLN A 101 -8.451 -0.776 10.622 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.910 -1.847 11.020 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.988 0.156 11.446 1.00 0.00 N ATOM 0 H GLN A 101 -4.766 -0.121 7.353 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.539 -0.625 6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.991 -1.891 8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.258 -0.505 9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.584 0.607 8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.184 -0.998 8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.617 1.029 11.071 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.004 -0.001 12.454 1.00 0.00 H new ATOM 602 N SER A 102 -7.966 1.816 6.365 1.00 0.00 N ATOM 603 CA SER A 102 -8.297 3.219 6.334 1.00 0.00 C ATOM 604 C SER A 102 -8.654 3.700 7.732 1.00 0.00 C ATOM 605 O SER A 102 -8.834 2.894 8.644 1.00 0.00 O ATOM 606 CB SER A 102 -9.447 3.434 5.364 1.00 0.00 C ATOM 607 OG SER A 102 -9.022 4.138 4.209 1.00 0.00 O ATOM 0 H SER A 102 -8.452 1.251 5.668 1.00 0.00 H new ATOM 0 HA SER A 102 -7.439 3.799 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.864 2.470 5.072 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.244 3.990 5.859 1.00 0.00 H new ATOM 0 HG SER A 102 -9.782 4.260 3.602 1.00 0.00 H new ATOM 613 N LEU A 103 -8.725 5.005 7.911 1.00 0.00 N ATOM 614 CA LEU A 103 -9.037 5.555 9.223 1.00 0.00 C ATOM 615 C LEU A 103 -10.230 6.495 9.178 1.00 0.00 C ATOM 616 O LEU A 103 -10.917 6.686 10.182 1.00 0.00 O ATOM 617 CB LEU A 103 -7.811 6.242 9.791 1.00 0.00 C ATOM 618 CG LEU A 103 -6.741 5.260 10.271 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.690 5.077 9.197 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.108 5.710 11.576 1.00 0.00 C ATOM 0 H LEU A 103 -8.574 5.698 7.178 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.319 4.733 9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.382 6.894 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.111 6.878 10.624 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.223 4.302 10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.931 4.376 9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.157 4.685 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.223 6.037 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.353 4.986 11.883 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.640 6.685 11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.876 5.783 12.346 1.00 0.00 H new ATOM 632 N THR A 104 -10.497 7.053 8.011 1.00 0.00 N ATOM 633 CA THR A 104 -11.629 7.936 7.839 1.00 0.00 C ATOM 634 C THR A 104 -12.875 7.098 7.597 1.00 0.00 C ATOM 635 O THR A 104 -13.953 7.367 8.128 1.00 0.00 O ATOM 636 CB THR A 104 -11.384 8.862 6.657 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.019 9.234 6.582 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.198 10.117 6.732 1.00 0.00 C ATOM 0 H THR A 104 -9.942 6.908 7.168 1.00 0.00 H new ATOM 0 HA THR A 104 -11.766 8.542 8.735 1.00 0.00 H new ATOM 0 HB THR A 104 -11.680 8.299 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.666 9.008 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.985 10.741 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.258 9.863 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.945 10.661 7.642 1.00 0.00 H new ATOM 646 N THR A 105 -12.682 6.070 6.790 1.00 0.00 N ATOM 647 CA THR A 105 -13.725 5.125 6.431 1.00 0.00 C ATOM 648 C THR A 105 -13.466 3.797 7.125 1.00 0.00 C ATOM 649 O THR A 105 -14.379 3.080 7.535 1.00 0.00 O ATOM 650 CB THR A 105 -13.695 4.914 4.925 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.872 3.811 4.583 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.184 6.112 4.158 1.00 0.00 C ATOM 0 H THR A 105 -11.781 5.865 6.358 1.00 0.00 H new ATOM 0 HA THR A 105 -14.697 5.512 6.738 1.00 0.00 H new ATOM 0 HB THR A 105 -14.734 4.737 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.933 3.644 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.190 5.890 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.826 6.971 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.166 6.340 4.475 1.00 0.00 H new ATOM 660 N GLY A 106 -12.185 3.506 7.229 1.00 0.00 N ATOM 661 CA GLY A 106 -11.695 2.302 7.840 1.00 0.00 C ATOM 662 C GLY A 106 -11.738 1.106 6.918 1.00 0.00 C ATOM 663 O GLY A 106 -11.319 0.012 7.297 1.00 0.00 O ATOM 0 H GLY A 106 -11.446 4.117 6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.668 2.462 8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.286 2.088 8.730 1.00 0.00 H new ATOM 667 N GLN A 107 -12.224 1.308 5.699 1.00 0.00 N ATOM 668 CA GLN A 107 -12.294 0.243 4.731 1.00 0.00 C ATOM 669 C GLN A 107 -10.959 -0.469 4.606 1.00 0.00 C ATOM 670 O GLN A 107 -9.933 0.143 4.315 1.00 0.00 O ATOM 671 CB GLN A 107 -12.737 0.811 3.405 1.00 0.00 C ATOM 672 CG GLN A 107 -14.240 0.870 3.304 1.00 0.00 C ATOM 673 CD GLN A 107 -14.797 2.267 3.500 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.441 3.197 2.777 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.680 2.418 4.481 1.00 0.00 N ATOM 0 H GLN A 107 -12.574 2.206 5.366 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.021 -0.498 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.323 1.812 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.341 0.199 2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.547 0.497 2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.674 0.205 4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.946 1.618 5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.092 3.334 4.660 1.00 0.00 H new ATOM 684 N GLU A 108 -10.986 -1.766 4.856 1.00 0.00 N ATOM 685 CA GLU A 108 -9.778 -2.578 4.801 1.00 0.00 C ATOM 686 C GLU A 108 -9.534 -3.123 3.401 1.00 0.00 C ATOM 687 O GLU A 108 -10.473 -3.436 2.669 1.00 0.00 O ATOM 688 CB GLU A 108 -9.869 -3.726 5.804 1.00 0.00 C ATOM 689 CG GLU A 108 -10.038 -3.264 7.238 1.00 0.00 C ATOM 690 CD GLU A 108 -11.216 -3.920 7.931 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.507 -5.096 7.622 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.848 -3.261 8.782 1.00 0.00 O ATOM 0 H GLU A 108 -11.831 -2.282 5.100 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.935 -1.939 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.709 -4.367 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.968 -4.335 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.127 -3.482 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.170 -2.182 7.253 1.00 0.00 H new ATOM 699 N GLY A 109 -8.261 -3.235 3.038 1.00 0.00 N ATOM 700 CA GLY A 109 -7.901 -3.743 1.730 1.00 0.00 C ATOM 701 C GLY A 109 -6.418 -3.611 1.450 1.00 0.00 C ATOM 702 O GLY A 109 -5.668 -3.081 2.269 1.00 0.00 O ATOM 0 H GLY A 109 -7.470 -2.982 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.190 -4.791 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.462 -3.204 0.966 1.00 0.00 H new ATOM 706 N PHE A 110 -5.998 -4.093 0.289 1.00 0.00 N ATOM 707 CA PHE A 110 -4.604 -4.035 -0.109 1.00 0.00 C ATOM 708 C PHE A 110 -4.299 -2.705 -0.788 1.00 0.00 C ATOM 709 O PHE A 110 -5.180 -2.089 -1.383 1.00 0.00 O ATOM 710 CB PHE A 110 -4.295 -5.195 -1.050 1.00 0.00 C ATOM 711 CG PHE A 110 -3.695 -6.384 -0.358 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.241 -6.862 0.824 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.587 -7.024 -0.886 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.692 -7.955 1.464 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.032 -8.118 -0.249 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.585 -8.585 0.928 1.00 0.00 C ATOM 0 H PHE A 110 -6.611 -4.532 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.976 -4.116 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.214 -5.501 -1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.610 -4.851 -1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.106 -6.373 1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.151 -6.664 -1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.128 -8.318 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.167 -8.607 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.153 -9.440 1.428 1.00 0.00 H new ATOM 726 N ILE A 111 -3.053 -2.258 -0.691 1.00 0.00 N ATOM 727 CA ILE A 111 -2.665 -0.992 -1.294 1.00 0.00 C ATOM 728 C ILE A 111 -1.215 -1.001 -1.771 1.00 0.00 C ATOM 729 O ILE A 111 -0.333 -1.566 -1.125 1.00 0.00 O ATOM 730 CB ILE A 111 -2.847 0.175 -0.300 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.923 -0.023 0.902 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.299 0.284 0.137 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.484 1.263 1.563 1.00 0.00 C ATOM 0 H ILE A 111 -2.302 -2.748 -0.206 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.318 -0.853 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.580 1.109 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.433 -0.642 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.039 -0.573 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.407 1.112 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.929 0.461 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.604 -0.643 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.832 1.035 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.944 1.877 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.359 1.807 1.919 1.00 0.00 H new ATOM 745 N PRO A 112 -0.959 -0.345 -2.907 1.00 0.00 N ATOM 746 CA PRO A 112 0.377 -0.234 -3.478 1.00 0.00 C ATOM 747 C PRO A 112 1.378 0.282 -2.444 1.00 0.00 C ATOM 748 O PRO A 112 1.312 1.438 -2.030 1.00 0.00 O ATOM 749 CB PRO A 112 0.213 0.777 -4.627 1.00 0.00 C ATOM 750 CG PRO A 112 -1.166 1.337 -4.494 1.00 0.00 C ATOM 751 CD PRO A 112 -1.962 0.352 -3.702 1.00 0.00 C ATOM 0 HA PRO A 112 0.763 -1.196 -3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.962 1.566 -4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.345 0.292 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.143 2.305 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.614 1.496 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.699 0.848 -3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.508 -0.335 -4.349 1.00 0.00 H new ATOM 759 N PHE A 113 2.289 -0.588 -2.009 1.00 0.00 N ATOM 760 CA PHE A 113 3.282 -0.216 -1.002 1.00 0.00 C ATOM 761 C PHE A 113 3.983 1.100 -1.347 1.00 0.00 C ATOM 762 O PHE A 113 4.471 1.801 -0.460 1.00 0.00 O ATOM 763 CB PHE A 113 4.308 -1.343 -0.815 1.00 0.00 C ATOM 764 CG PHE A 113 5.447 -1.317 -1.800 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.212 -1.135 -3.153 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.754 -1.474 -1.367 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.259 -1.110 -4.056 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.805 -1.449 -2.265 1.00 0.00 C ATOM 769 CZ PHE A 113 7.557 -1.268 -3.611 1.00 0.00 C ATOM 0 H PHE A 113 2.360 -1.551 -2.337 1.00 0.00 H new ATOM 0 HA PHE A 113 2.751 -0.064 -0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.715 -1.283 0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.795 -2.302 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.199 -1.011 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.954 -1.618 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.062 -0.967 -5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.819 -1.571 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.376 -1.250 -4.315 1.00 0.00 H new ATOM 779 N ASN A 114 4.033 1.431 -2.633 1.00 0.00 N ATOM 780 CA ASN A 114 4.674 2.659 -3.079 1.00 0.00 C ATOM 781 C ASN A 114 3.646 3.772 -3.282 1.00 0.00 C ATOM 782 O ASN A 114 3.831 4.653 -4.120 1.00 0.00 O ATOM 783 CB ASN A 114 5.435 2.405 -4.381 1.00 0.00 C ATOM 784 CG ASN A 114 4.512 2.136 -5.556 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.180 3.044 -6.317 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.095 0.885 -5.708 1.00 0.00 N ATOM 0 H ASN A 114 3.637 0.865 -3.383 1.00 0.00 H new ATOM 0 HA ASN A 114 5.374 2.980 -2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.061 3.269 -4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.103 1.554 -4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.474 0.645 -6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.396 0.164 -5.052 1.00 0.00 H new ATOM 793 N PHE A 115 2.559 3.717 -2.520 1.00 0.00 N ATOM 794 CA PHE A 115 1.498 4.711 -2.629 1.00 0.00 C ATOM 795 C PHE A 115 1.226 5.404 -1.298 1.00 0.00 C ATOM 796 O PHE A 115 0.155 5.981 -1.112 1.00 0.00 O ATOM 797 CB PHE A 115 0.213 4.040 -3.103 1.00 0.00 C ATOM 798 CG PHE A 115 -0.358 4.631 -4.353 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.414 4.763 -5.495 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.674 5.051 -4.384 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.121 5.306 -6.646 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.215 5.593 -5.528 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.439 5.723 -6.664 1.00 0.00 C ATOM 0 H PHE A 115 2.390 2.994 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 115 1.828 5.463 -3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.409 2.981 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.532 4.104 -2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.444 4.438 -5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.286 4.953 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.489 5.405 -7.531 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.245 5.916 -5.538 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.861 6.149 -7.563 1.00 0.00 H new ATOM 813 N VAL A 116 2.169 5.337 -0.365 1.00 0.00 N ATOM 814 CA VAL A 116 1.957 5.960 0.935 1.00 0.00 C ATOM 815 C VAL A 116 3.256 6.350 1.630 1.00 0.00 C ATOM 816 O VAL A 116 4.295 5.714 1.451 1.00 0.00 O ATOM 817 CB VAL A 116 1.156 5.032 1.865 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.274 4.891 1.367 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.829 3.670 1.978 1.00 0.00 C ATOM 0 H VAL A 116 3.068 4.869 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 116 1.395 6.873 0.737 1.00 0.00 H new ATOM 0 HB VAL A 116 1.130 5.477 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -0.828 4.232 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.751 5.871 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.269 4.469 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.246 3.030 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.890 3.211 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.833 3.793 2.384 1.00 0.00 H new ATOM 829 N ALA A 117 3.164 7.398 2.442 1.00 0.00 N ATOM 830 CA ALA A 117 4.296 7.900 3.206 1.00 0.00 C ATOM 831 C ALA A 117 3.836 8.289 4.607 1.00 0.00 C ATOM 832 O ALA A 117 2.759 8.857 4.774 1.00 0.00 O ATOM 833 CB ALA A 117 4.929 9.091 2.500 1.00 0.00 C ATOM 0 H ALA A 117 2.301 7.922 2.588 1.00 0.00 H new ATOM 0 HA ALA A 117 5.048 7.115 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.774 9.454 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.276 8.786 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.191 9.887 2.396 1.00 0.00 H new ATOM 839 N LYS A 118 4.645 7.966 5.612 1.00 0.00 N ATOM 840 CA LYS A 118 4.308 8.263 7.005 1.00 0.00 C ATOM 841 C LYS A 118 3.644 9.629 7.154 1.00 0.00 C ATOM 842 O LYS A 118 4.052 10.602 6.522 1.00 0.00 O ATOM 843 CB LYS A 118 5.568 8.207 7.872 1.00 0.00 C ATOM 844 CG LYS A 118 6.202 6.828 7.936 1.00 0.00 C ATOM 845 CD LYS A 118 5.164 5.756 8.217 1.00 0.00 C ATOM 846 CE LYS A 118 5.794 4.375 8.301 1.00 0.00 C ATOM 847 NZ LYS A 118 6.722 4.118 7.166 1.00 0.00 N ATOM 0 H LYS A 118 5.542 7.497 5.489 1.00 0.00 H new ATOM 0 HA LYS A 118 3.595 7.508 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.299 8.916 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.318 8.530 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.705 6.612 6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.965 6.812 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.652 5.981 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.409 5.765 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.336 4.280 9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.010 3.618 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.747 3.099 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.392 4.632 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.677 4.444 7.418 1.00 0.00 H new ATOM 861 N ALA A 119 2.616 9.689 8.002 1.00 0.00 N ATOM 862 CA ALA A 119 1.888 10.936 8.247 1.00 0.00 C ATOM 863 C ALA A 119 2.754 11.935 9.013 1.00 0.00 C ATOM 864 O ALA A 119 2.357 12.437 10.064 1.00 0.00 O ATOM 865 CB ALA A 119 0.595 10.672 9.015 1.00 0.00 C ATOM 0 H ALA A 119 2.268 8.889 8.531 1.00 0.00 H new ATOM 0 HA ALA A 119 1.637 11.365 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.073 11.614 9.184 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -0.042 10.003 8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.829 10.210 9.974 1.00 0.00 H new ATOM 871 N ASN A 120 3.938 12.218 8.482 1.00 0.00 N ATOM 872 CA ASN A 120 4.856 13.156 9.117 1.00 0.00 C ATOM 873 C ASN A 120 5.425 14.136 8.097 1.00 0.00 C ATOM 874 O ASN A 120 6.280 13.717 7.289 1.00 0.00 O ATOM 875 CB ASN A 120 5.992 12.400 9.808 1.00 0.00 C ATOM 876 CG ASN A 120 5.757 12.241 11.298 1.00 0.00 C ATOM 877 OD1 ASN A 120 5.685 13.224 12.035 1.00 0.00 O ATOM 878 ND2 ASN A 120 5.638 10.998 11.749 1.00 0.00 N ATOM 879 OXT ASN A 120 5.011 15.314 8.114 1.00 0.00 O ATOM 0 H ASN A 120 4.285 11.811 7.613 1.00 0.00 H new ATOM 0 HA ASN A 120 4.300 13.722 9.864 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.100 11.416 9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.930 12.931 9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 120 5.480 10.829 12.742 1.00 0.00 H new ATOM 0 HD22 ASN A 120 5.704 10.212 11.102 1.00 0.00 H new