USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 DA2 HXT : A1148 DA2 OXT : A1148 DA2 C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -153:sc= 1.38 USER MOD Set 1.2: A 136 GLN : amide:sc= -3.13! C(o=-1.7!,f=-9.7!) USER MOD Single : A 84 ASN : amide:sc= -0.032 K(o=-0.032,f=0.63) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 90 GLN : amide:sc= 0.266 X(o=0.27,f=-0.077) USER MOD Single : A 91 GLN : amide:sc= -1.81 K(o=-1.8,f=0.041) USER MOD Single : A 93 LYS NZ :NH3+ -127:sc= 0.981 (180deg=0.542) USER MOD Single : A 97 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.13) USER MOD Single : A 98 CYS SG : rot -10:sc= 0.848 USER MOD Single : A 99 SER OG : rot 109:sc= 0.26 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 123:sc= 1.19 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.0974 USER MOD Single : A 119 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0564) USER MOD Single : A 122 THR OG1 : rot 120:sc= -0.0171 USER MOD Single : A 123 CYS SG : rot -8:sc= -5.2! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 1.1 K(o=1.1,f=-3.5!) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 139 SER OG : rot 46:sc= 0.0378 USER MOD Single : A 143 SER OG : rot 180:sc= -0.142 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD Single : A1148 DA2 NH2 :NH3+ -92:sc= -0.28 (180deg=-4.27!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -5.122 10.362 14.011 1.00 0.00 N ATOM 2 CA ASN A 84 -4.506 11.110 12.918 1.00 0.00 C ATOM 3 C ASN A 84 -5.106 10.696 11.606 1.00 0.00 C ATOM 4 O ASN A 84 -5.545 9.553 11.460 1.00 0.00 O ATOM 5 CB ASN A 84 -2.982 10.914 12.866 1.00 0.00 C ATOM 6 CG ASN A 84 -2.244 11.506 14.047 1.00 0.00 C ATOM 7 OD1 ASN A 84 -2.759 11.569 15.154 1.00 0.00 O ATOM 8 ND2 ASN A 84 -1.032 11.943 13.820 1.00 0.00 N ATOM 0 HA ASN A 84 -4.702 12.166 13.102 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -2.765 9.847 12.813 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.599 11.363 11.949 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.487 12.352 14.579 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -0.632 11.875 12.884 1.00 0.00 H new ATOM 17 N THR A 85 -5.104 11.618 10.654 1.00 0.00 N ATOM 18 CA THR A 85 -5.636 11.414 9.316 1.00 0.00 C ATOM 19 C THR A 85 -7.133 11.070 9.339 1.00 0.00 C ATOM 20 O THR A 85 -7.541 9.901 9.436 1.00 0.00 O ATOM 21 CB THR A 85 -4.838 10.360 8.534 1.00 0.00 C ATOM 22 OG1 THR A 85 -3.441 10.715 8.578 1.00 0.00 O ATOM 23 CG2 THR A 85 -5.292 10.293 7.077 1.00 0.00 C ATOM 0 H THR A 85 -4.722 12.553 10.796 1.00 0.00 H new ATOM 0 HA THR A 85 -5.526 12.363 8.791 1.00 0.00 H new ATOM 0 HB THR A 85 -5.005 9.384 8.989 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.919 10.049 8.084 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.709 9.538 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.349 10.029 7.037 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.142 11.264 6.604 1.00 0.00 H new ATOM 31 N ALA A 86 -7.934 12.092 9.275 1.00 0.00 N ATOM 32 CA ALA A 86 -9.367 11.945 9.316 1.00 0.00 C ATOM 33 C ALA A 86 -9.923 11.593 7.941 1.00 0.00 C ATOM 34 O ALA A 86 -11.021 11.064 7.825 1.00 0.00 O ATOM 35 CB ALA A 86 -9.995 13.214 9.835 1.00 0.00 C ATOM 0 H ALA A 86 -7.615 13.057 9.192 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.612 11.125 9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.078 13.098 9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.625 13.419 10.840 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.736 14.044 9.177 1.00 0.00 H new ATOM 41 N ALA A 87 -9.150 11.858 6.909 1.00 0.00 N ATOM 42 CA ALA A 87 -9.553 11.587 5.534 1.00 0.00 C ATOM 43 C ALA A 87 -9.126 10.181 5.105 1.00 0.00 C ATOM 44 O ALA A 87 -8.804 9.948 3.942 1.00 0.00 O ATOM 45 CB ALA A 87 -8.934 12.622 4.607 1.00 0.00 C ATOM 0 H ALA A 87 -8.220 12.269 6.994 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.640 11.646 5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.236 12.418 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.274 13.617 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.848 12.574 4.682 1.00 0.00 H new ATOM 51 N SER A 88 -9.239 9.227 6.014 1.00 0.00 N ATOM 52 CA SER A 88 -8.820 7.846 5.778 1.00 0.00 C ATOM 53 C SER A 88 -9.737 7.126 4.767 1.00 0.00 C ATOM 54 O SER A 88 -9.478 6.001 4.355 1.00 0.00 O ATOM 55 CB SER A 88 -8.793 7.120 7.113 1.00 0.00 C ATOM 56 OG SER A 88 -10.018 7.337 7.808 1.00 0.00 O ATOM 0 H SER A 88 -9.626 9.385 6.944 1.00 0.00 H new ATOM 0 HA SER A 88 -7.824 7.846 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.640 6.053 6.953 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.956 7.476 7.714 1.00 0.00 H new ATOM 0 HG SER A 88 -9.995 6.865 8.667 1.00 0.00 H new ATOM 62 N LEU A 89 -10.773 7.826 4.340 1.00 0.00 N ATOM 63 CA LEU A 89 -11.771 7.355 3.379 1.00 0.00 C ATOM 64 C LEU A 89 -11.235 7.341 1.929 1.00 0.00 C ATOM 65 O LEU A 89 -11.992 7.500 0.961 1.00 0.00 O ATOM 66 CB LEU A 89 -13.065 8.205 3.520 1.00 0.00 C ATOM 67 CG LEU A 89 -12.916 9.754 3.647 1.00 0.00 C ATOM 68 CD1 LEU A 89 -12.376 10.409 2.379 1.00 0.00 C ATOM 69 CD2 LEU A 89 -14.241 10.377 4.048 1.00 0.00 C ATOM 0 H LEU A 89 -10.955 8.777 4.662 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.008 6.316 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.695 8.000 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.604 7.849 4.398 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.177 9.937 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.296 11.485 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.392 10.001 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.054 10.210 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.124 11.457 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.993 10.152 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.559 9.970 5.008 1.00 0.00 H new ATOM 81 N GLN A 90 -9.950 7.104 1.801 1.00 0.00 N ATOM 82 CA GLN A 90 -9.279 7.038 0.524 1.00 0.00 C ATOM 83 C GLN A 90 -9.773 5.840 -0.270 1.00 0.00 C ATOM 84 O GLN A 90 -9.976 4.748 0.284 1.00 0.00 O ATOM 85 CB GLN A 90 -7.763 6.913 0.711 1.00 0.00 C ATOM 86 CG GLN A 90 -7.090 8.088 1.417 1.00 0.00 C ATOM 87 CD GLN A 90 -7.305 9.410 0.702 1.00 0.00 C ATOM 88 OE1 GLN A 90 -6.541 9.777 -0.191 1.00 0.00 O ATOM 89 NE2 GLN A 90 -8.284 10.163 1.132 1.00 0.00 N ATOM 0 H GLN A 90 -9.331 6.949 2.596 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.502 7.958 -0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.558 6.005 1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.302 6.788 -0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.476 8.164 2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.020 7.893 1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.898 9.827 1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.434 11.086 0.726 1.00 0.00 H new ATOM 98 N GLN A 91 -9.971 6.048 -1.531 1.00 0.00 N ATOM 99 CA GLN A 91 -10.386 5.014 -2.425 1.00 0.00 C ATOM 100 C GLN A 91 -9.204 4.816 -3.360 1.00 0.00 C ATOM 101 O GLN A 91 -8.563 5.794 -3.759 1.00 0.00 O ATOM 102 CB GLN A 91 -11.638 5.458 -3.208 1.00 0.00 C ATOM 103 CG GLN A 91 -12.611 4.328 -3.598 1.00 0.00 C ATOM 104 CD GLN A 91 -11.978 3.209 -4.389 1.00 0.00 C ATOM 105 OE1 GLN A 91 -11.914 3.251 -5.620 1.00 0.00 O ATOM 106 NE2 GLN A 91 -11.560 2.172 -3.702 1.00 0.00 N ATOM 0 H GLN A 91 -9.847 6.957 -1.977 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.653 4.094 -1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.180 6.190 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.316 5.966 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.050 3.913 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.428 4.753 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.629 2.173 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.166 1.365 -4.186 1.00 0.00 H new ATOM 115 N TRP A 92 -8.895 3.604 -3.679 1.00 0.00 N ATOM 116 CA TRP A 92 -7.722 3.306 -4.459 1.00 0.00 C ATOM 117 C TRP A 92 -8.066 2.486 -5.683 1.00 0.00 C ATOM 118 O TRP A 92 -9.132 1.863 -5.741 1.00 0.00 O ATOM 119 CB TRP A 92 -6.727 2.539 -3.608 1.00 0.00 C ATOM 120 CG TRP A 92 -6.233 3.285 -2.410 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.702 3.200 -1.134 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.167 4.226 -2.385 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.976 4.015 -0.310 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.030 4.665 -1.056 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.310 4.732 -3.358 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.069 5.588 -0.680 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.359 5.641 -2.985 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.244 6.060 -1.658 1.00 0.00 C ATOM 0 H TRP A 92 -9.443 2.786 -3.411 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.288 4.250 -4.789 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.191 1.610 -3.276 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.873 2.265 -4.228 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.527 2.579 -0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.116 4.121 0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.394 4.413 -4.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.977 5.920 0.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.686 6.041 -3.729 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.480 6.778 -1.399 1.00 0.00 H new ATOM 139 N LYS A 93 -7.159 2.481 -6.645 1.00 0.00 N ATOM 140 CA LYS A 93 -7.311 1.713 -7.863 1.00 0.00 C ATOM 141 C LYS A 93 -6.020 0.931 -8.107 1.00 0.00 C ATOM 142 O LYS A 93 -4.969 1.279 -7.566 1.00 0.00 O ATOM 143 CB LYS A 93 -7.595 2.643 -9.050 1.00 0.00 C ATOM 144 CG LYS A 93 -6.410 3.522 -9.442 1.00 0.00 C ATOM 145 CD LYS A 93 -6.789 4.596 -10.452 1.00 0.00 C ATOM 146 CE LYS A 93 -7.745 5.623 -9.853 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.122 6.398 -8.758 1.00 0.00 N ATOM 0 H LYS A 93 -6.291 3.015 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.151 1.026 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.888 2.040 -9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.443 3.282 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.002 3.996 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.621 2.897 -9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.888 5.099 -10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.253 4.130 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.078 6.306 -10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.632 5.114 -9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.725 6.350 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.186 6.000 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.016 7.390 -9.051 1.00 0.00 H new ATOM 161 N VAL A 94 -6.108 -0.128 -8.855 1.00 0.00 N ATOM 162 CA VAL A 94 -4.947 -0.904 -9.236 1.00 0.00 C ATOM 163 C VAL A 94 -4.042 -0.040 -10.109 1.00 0.00 C ATOM 164 O VAL A 94 -4.507 0.579 -11.074 1.00 0.00 O ATOM 165 CB VAL A 94 -5.353 -2.199 -9.993 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.132 -2.957 -10.483 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.193 -3.089 -9.093 1.00 0.00 C ATOM 0 H VAL A 94 -6.988 -0.487 -9.224 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.415 -1.209 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.942 -1.910 -10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.450 -3.858 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.559 -2.324 -11.161 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.510 -3.234 -9.632 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.472 -3.993 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.617 -3.358 -8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.094 -2.555 -8.791 1.00 0.00 H new ATOM 177 N GLY A 95 -2.783 0.022 -9.768 1.00 0.00 N ATOM 178 CA GLY A 95 -1.857 0.837 -10.501 1.00 0.00 C ATOM 179 C GLY A 95 -1.729 2.217 -9.908 1.00 0.00 C ATOM 180 O GLY A 95 -1.171 3.126 -10.533 1.00 0.00 O ATOM 0 H GLY A 95 -2.375 -0.486 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.879 0.355 -10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.185 0.916 -11.537 1.00 0.00 H new ATOM 184 N ASP A 96 -2.236 2.386 -8.708 1.00 0.00 N ATOM 185 CA ASP A 96 -2.173 3.674 -8.036 1.00 0.00 C ATOM 186 C ASP A 96 -0.976 3.666 -7.146 1.00 0.00 C ATOM 187 O ASP A 96 -0.666 2.635 -6.543 1.00 0.00 O ATOM 188 CB ASP A 96 -3.388 3.891 -7.155 1.00 0.00 C ATOM 189 CG ASP A 96 -3.968 5.288 -7.264 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.203 6.267 -7.456 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.212 5.439 -7.161 1.00 0.00 O ATOM 0 H ASP A 96 -2.698 1.650 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.129 4.461 -8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.156 3.165 -7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.115 3.699 -6.118 1.00 0.00 H new ATOM 196 N LYS A 97 -0.285 4.752 -7.075 1.00 0.00 N ATOM 197 CA LYS A 97 0.834 4.844 -6.199 1.00 0.00 C ATOM 198 C LYS A 97 0.359 5.221 -4.827 1.00 0.00 C ATOM 199 O LYS A 97 -0.604 5.979 -4.681 1.00 0.00 O ATOM 200 CB LYS A 97 1.843 5.854 -6.690 1.00 0.00 C ATOM 201 CG LYS A 97 2.304 5.607 -8.107 1.00 0.00 C ATOM 202 CD LYS A 97 3.650 6.240 -8.351 1.00 0.00 C ATOM 203 CE LYS A 97 3.637 7.742 -8.112 1.00 0.00 C ATOM 204 NZ LYS A 97 4.974 8.322 -8.286 1.00 0.00 N ATOM 0 H LYS A 97 -0.477 5.595 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 97 1.327 3.872 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.407 6.851 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.709 5.842 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.363 4.535 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.574 6.013 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.390 5.777 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.962 6.041 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.940 8.216 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.277 7.949 -7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.892 9.350 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.549 8.128 -7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.430 7.899 -9.120 1.00 0.00 H new ATOM 218 N CYS A 98 1.002 4.702 -3.845 1.00 0.00 N ATOM 219 CA CYS A 98 0.655 4.964 -2.478 1.00 0.00 C ATOM 220 C CYS A 98 1.891 4.788 -1.610 1.00 0.00 C ATOM 221 O CYS A 98 3.014 4.674 -2.119 1.00 0.00 O ATOM 222 CB CYS A 98 -0.462 3.995 -2.040 1.00 0.00 C ATOM 223 SG CYS A 98 -0.033 2.258 -2.193 1.00 0.00 S ATOM 0 H CYS A 98 1.797 4.073 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 98 0.291 5.986 -2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.722 4.203 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.353 4.192 -2.637 1.00 0.00 H new ATOM 0 HG CYS A 98 1.078 2.142 -2.858 1.00 0.00 H new ATOM 229 N SER A 99 1.698 4.795 -0.345 1.00 0.00 N ATOM 230 CA SER A 99 2.735 4.517 0.579 1.00 0.00 C ATOM 231 C SER A 99 2.171 3.499 1.523 1.00 0.00 C ATOM 232 O SER A 99 0.983 3.582 1.889 1.00 0.00 O ATOM 233 CB SER A 99 3.143 5.750 1.346 1.00 0.00 C ATOM 234 OG SER A 99 3.264 6.890 0.489 1.00 0.00 O ATOM 0 H SER A 99 0.797 4.998 0.088 1.00 0.00 H new ATOM 0 HA SER A 99 3.626 4.161 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.407 5.955 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.094 5.569 1.847 1.00 0.00 H new ATOM 0 HG SER A 99 2.524 7.509 0.661 1.00 0.00 H new ATOM 240 N ALA A 100 2.967 2.573 1.905 1.00 0.00 N ATOM 241 CA ALA A 100 2.515 1.484 2.711 1.00 0.00 C ATOM 242 C ALA A 100 3.469 1.241 3.850 1.00 0.00 C ATOM 243 O ALA A 100 4.620 1.715 3.815 1.00 0.00 O ATOM 244 CB ALA A 100 2.355 0.246 1.847 1.00 0.00 C ATOM 0 H ALA A 100 3.959 2.541 1.670 1.00 0.00 H new ATOM 0 HA ALA A 100 1.545 1.730 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.010 -0.585 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.626 0.443 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.314 -0.010 1.397 1.00 0.00 H new ATOM 250 N ILE A 101 2.998 0.559 4.869 1.00 0.00 N ATOM 251 CA ILE A 101 3.826 0.241 6.013 1.00 0.00 C ATOM 252 C ILE A 101 4.464 -1.113 5.789 1.00 0.00 C ATOM 253 O ILE A 101 3.755 -2.128 5.691 1.00 0.00 O ATOM 254 CB ILE A 101 3.005 0.201 7.355 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.615 1.605 7.819 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.774 -0.524 8.476 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.783 2.409 8.358 1.00 0.00 C ATOM 0 H ILE A 101 2.041 0.212 4.930 1.00 0.00 H new ATOM 0 HA ILE A 101 4.578 1.024 6.109 1.00 0.00 H new ATOM 0 HB ILE A 101 2.095 -0.361 7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.167 2.144 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.851 1.525 8.593 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.173 -0.530 9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.980 -1.550 8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.714 -0.006 8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.434 3.394 8.669 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.217 1.891 9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.538 2.520 7.580 1.00 0.00 H new ATOM 269 N TRP A 102 5.778 -1.126 5.688 1.00 0.00 N ATOM 270 CA TRP A 102 6.517 -2.354 5.503 1.00 0.00 C ATOM 271 C TRP A 102 6.364 -3.177 6.738 1.00 0.00 C ATOM 272 O TRP A 102 6.732 -2.734 7.787 1.00 0.00 O ATOM 273 CB TRP A 102 8.001 -2.066 5.296 1.00 0.00 C ATOM 274 CG TRP A 102 8.776 -3.243 4.776 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.291 -4.261 4.024 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.168 -3.505 4.931 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.281 -5.129 3.700 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.443 -4.696 4.237 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.208 -2.860 5.579 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.705 -5.249 4.175 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.470 -3.414 5.522 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.704 -4.600 4.822 1.00 0.00 C ATOM 0 H TRP A 102 6.359 -0.289 5.732 1.00 0.00 H new ATOM 0 HA TRP A 102 6.133 -2.875 4.626 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.107 -1.235 4.599 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.436 -1.745 6.243 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.259 -4.366 3.724 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.167 -5.974 3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.034 -1.941 6.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.890 -6.164 3.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.289 -2.923 6.026 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.703 -5.009 4.796 1.00 0.00 H new ATOM 293 N SER A 103 5.859 -4.361 6.620 1.00 0.00 N ATOM 294 CA SER A 103 5.630 -5.209 7.792 1.00 0.00 C ATOM 295 C SER A 103 6.957 -5.564 8.510 1.00 0.00 C ATOM 296 O SER A 103 6.977 -5.874 9.710 1.00 0.00 O ATOM 297 CB SER A 103 4.900 -6.484 7.368 1.00 0.00 C ATOM 298 OG SER A 103 4.456 -7.239 8.479 1.00 0.00 O ATOM 0 H SER A 103 5.590 -4.783 5.731 1.00 0.00 H new ATOM 0 HA SER A 103 5.014 -4.652 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.046 -6.221 6.744 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.564 -7.095 6.757 1.00 0.00 H new ATOM 0 HG SER A 103 3.994 -8.044 8.164 1.00 0.00 H new ATOM 304 N GLU A 104 8.058 -5.470 7.791 1.00 0.00 N ATOM 305 CA GLU A 104 9.338 -5.882 8.321 1.00 0.00 C ATOM 306 C GLU A 104 10.015 -4.795 9.142 1.00 0.00 C ATOM 307 O GLU A 104 10.738 -5.084 10.089 1.00 0.00 O ATOM 308 CB GLU A 104 10.246 -6.285 7.208 1.00 0.00 C ATOM 309 CG GLU A 104 9.699 -7.379 6.327 1.00 0.00 C ATOM 310 CD GLU A 104 9.505 -8.681 7.053 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.470 -9.456 7.170 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.374 -8.965 7.499 1.00 0.00 O ATOM 0 H GLU A 104 8.090 -5.111 6.837 1.00 0.00 H new ATOM 0 HA GLU A 104 9.144 -6.725 8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.458 -5.411 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.195 -6.615 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.745 -7.058 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.378 -7.535 5.489 1.00 0.00 H new ATOM 319 N ASP A 105 9.818 -3.553 8.771 1.00 0.00 N ATOM 320 CA ASP A 105 10.471 -2.467 9.516 1.00 0.00 C ATOM 321 C ASP A 105 9.423 -1.586 10.152 1.00 0.00 C ATOM 322 O ASP A 105 9.685 -0.854 11.096 1.00 0.00 O ATOM 323 CB ASP A 105 11.334 -1.639 8.572 1.00 0.00 C ATOM 324 CG ASP A 105 12.363 -0.780 9.258 1.00 0.00 C ATOM 325 OD1 ASP A 105 12.050 0.318 9.701 1.00 0.00 O ATOM 326 OD2 ASP A 105 13.540 -1.192 9.314 1.00 0.00 O ATOM 0 H ASP A 105 9.234 -3.260 7.988 1.00 0.00 H new ATOM 0 HA ASP A 105 11.102 -2.896 10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.843 -2.311 7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.685 -0.999 7.974 1.00 0.00 H new ATOM 331 N GLY A 106 8.216 -1.696 9.645 1.00 0.00 N ATOM 332 CA GLY A 106 7.081 -0.940 10.166 1.00 0.00 C ATOM 333 C GLY A 106 7.052 0.491 9.675 1.00 0.00 C ATOM 334 O GLY A 106 6.254 1.299 10.150 1.00 0.00 O ATOM 0 H GLY A 106 7.985 -2.308 8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.156 -1.437 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.117 -0.944 11.255 1.00 0.00 H new ATOM 338 N CYS A 107 7.937 0.812 8.770 1.00 0.00 N ATOM 339 CA CYS A 107 8.045 2.145 8.255 1.00 0.00 C ATOM 340 C CYS A 107 7.254 2.355 6.974 1.00 0.00 C ATOM 341 O CYS A 107 6.876 1.388 6.300 1.00 0.00 O ATOM 342 CB CYS A 107 9.493 2.531 8.096 1.00 0.00 C ATOM 343 SG CYS A 107 10.372 2.658 9.658 1.00 0.00 S ATOM 0 H CYS A 107 8.604 0.152 8.370 1.00 0.00 H new ATOM 0 HA CYS A 107 7.591 2.812 8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.991 1.794 7.466 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.552 3.487 7.576 1.00 0.00 H new ATOM 0 HG CYS A 107 11.393 1.854 9.648 1.00 0.00 H new ATOM 349 N ILE A 108 7.023 3.614 6.652 1.00 0.00 N ATOM 350 CA ILE A 108 6.355 4.018 5.422 1.00 0.00 C ATOM 351 C ILE A 108 7.340 3.946 4.273 1.00 0.00 C ATOM 352 O ILE A 108 8.473 4.437 4.385 1.00 0.00 O ATOM 353 CB ILE A 108 5.844 5.489 5.487 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.854 5.699 6.619 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.194 5.872 4.168 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.515 5.052 6.391 1.00 0.00 C ATOM 0 H ILE A 108 7.297 4.398 7.244 1.00 0.00 H new ATOM 0 HA ILE A 108 5.508 3.346 5.283 1.00 0.00 H new ATOM 0 HB ILE A 108 6.709 6.125 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.283 5.306 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.708 6.769 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.840 6.901 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.923 5.781 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.352 5.208 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.866 5.248 7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.062 5.462 5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.646 3.976 6.275 1.00 0.00 H new ATOM 368 N TYR A 109 6.929 3.329 3.210 1.00 0.00 N ATOM 369 CA TYR A 109 7.708 3.258 1.991 1.00 0.00 C ATOM 370 C TYR A 109 6.796 3.431 0.789 1.00 0.00 C ATOM 371 O TYR A 109 5.600 3.116 0.872 1.00 0.00 O ATOM 372 CB TYR A 109 8.452 1.932 1.897 1.00 0.00 C ATOM 373 CG TYR A 109 9.559 1.758 2.907 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.807 2.292 2.680 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.359 1.033 4.065 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.831 2.114 3.581 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.373 0.839 4.969 1.00 0.00 C ATOM 378 CZ TYR A 109 11.609 1.380 4.728 1.00 0.00 C ATOM 379 OH TYR A 109 12.630 1.182 5.632 1.00 0.00 O ATOM 0 H TYR A 109 6.030 2.850 3.153 1.00 0.00 H new ATOM 0 HA TYR A 109 8.445 4.061 2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.736 1.120 2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.873 1.837 0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.985 2.860 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.385 0.610 4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.803 2.546 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.198 0.263 5.866 1.00 0.00 H new ATOM 0 HH TYR A 109 12.302 0.645 6.383 1.00 0.00 H new ATOM 389 N PRO A 110 7.323 3.973 -0.325 1.00 0.00 N ATOM 390 CA PRO A 110 6.552 4.158 -1.556 1.00 0.00 C ATOM 391 C PRO A 110 6.234 2.816 -2.215 1.00 0.00 C ATOM 392 O PRO A 110 7.125 1.986 -2.447 1.00 0.00 O ATOM 393 CB PRO A 110 7.490 4.981 -2.449 1.00 0.00 C ATOM 394 CG PRO A 110 8.857 4.655 -1.956 1.00 0.00 C ATOM 395 CD PRO A 110 8.721 4.445 -0.477 1.00 0.00 C ATOM 0 HA PRO A 110 5.591 4.641 -1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.373 4.714 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.282 6.048 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.245 3.761 -2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.554 5.464 -2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.436 3.710 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.897 5.367 0.078 1.00 0.00 H new ATOM 403 N ALA A 111 4.991 2.600 -2.508 1.00 0.00 N ATOM 404 CA ALA A 111 4.569 1.376 -3.103 1.00 0.00 C ATOM 405 C ALA A 111 3.423 1.627 -4.029 1.00 0.00 C ATOM 406 O ALA A 111 2.623 2.517 -3.809 1.00 0.00 O ATOM 407 CB ALA A 111 4.166 0.375 -2.043 1.00 0.00 C ATOM 0 H ALA A 111 4.240 3.270 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 111 5.404 0.962 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.847 -0.552 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.016 0.174 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.344 0.781 -1.453 1.00 0.00 H new ATOM 413 N THR A 112 3.324 0.857 -5.039 1.00 0.00 N ATOM 414 CA THR A 112 2.258 1.019 -5.962 1.00 0.00 C ATOM 415 C THR A 112 1.336 -0.192 -5.841 1.00 0.00 C ATOM 416 O THR A 112 1.793 -1.292 -5.527 1.00 0.00 O ATOM 417 CB THR A 112 2.829 1.159 -7.386 1.00 0.00 C ATOM 418 OG1 THR A 112 3.895 2.141 -7.368 1.00 0.00 O ATOM 419 CG2 THR A 112 1.768 1.635 -8.350 1.00 0.00 C ATOM 0 H THR A 112 3.971 0.099 -5.256 1.00 0.00 H new ATOM 0 HA THR A 112 1.686 1.921 -5.747 1.00 0.00 H new ATOM 0 HB THR A 112 3.194 0.184 -7.709 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.267 2.237 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.197 1.725 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.948 0.918 -8.372 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.392 2.606 -8.027 1.00 0.00 H new ATOM 427 N ILE A 113 0.066 0.013 -6.061 1.00 0.00 N ATOM 428 CA ILE A 113 -0.917 -1.029 -5.895 1.00 0.00 C ATOM 429 C ILE A 113 -0.926 -1.965 -7.088 1.00 0.00 C ATOM 430 O ILE A 113 -1.168 -1.540 -8.212 1.00 0.00 O ATOM 431 CB ILE A 113 -2.310 -0.418 -5.710 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.289 0.557 -4.534 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.330 -1.515 -5.474 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.551 1.348 -4.377 1.00 0.00 C ATOM 0 H ILE A 113 -0.320 0.908 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.652 -1.602 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.591 0.125 -6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.105 -0.001 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.454 1.246 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.317 -1.072 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.345 -2.188 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.062 -2.074 -4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.457 2.017 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.727 1.935 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.388 0.669 -4.217 1.00 0.00 H new ATOM 446 N ALA A 114 -0.692 -3.222 -6.832 1.00 0.00 N ATOM 447 CA ALA A 114 -0.647 -4.224 -7.869 1.00 0.00 C ATOM 448 C ALA A 114 -2.000 -4.899 -8.037 1.00 0.00 C ATOM 449 O ALA A 114 -2.368 -5.314 -9.134 1.00 0.00 O ATOM 450 CB ALA A 114 0.418 -5.256 -7.552 1.00 0.00 C ATOM 0 H ALA A 114 -0.526 -3.586 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.396 -3.730 -8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.443 -6.007 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.390 -4.767 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.188 -5.736 -6.601 1.00 0.00 H new ATOM 456 N SER A 115 -2.743 -5.026 -6.958 1.00 0.00 N ATOM 457 CA SER A 115 -4.059 -5.666 -6.998 1.00 0.00 C ATOM 458 C SER A 115 -4.853 -5.221 -5.790 1.00 0.00 C ATOM 459 O SER A 115 -4.266 -4.954 -4.762 1.00 0.00 O ATOM 460 CB SER A 115 -3.914 -7.201 -6.949 1.00 0.00 C ATOM 461 OG SER A 115 -3.104 -7.703 -8.010 1.00 0.00 O ATOM 0 H SER A 115 -2.464 -4.696 -6.034 1.00 0.00 H new ATOM 0 HA SER A 115 -4.563 -5.382 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.478 -7.492 -5.993 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.902 -7.659 -7.001 1.00 0.00 H new ATOM 0 HG SER A 115 -3.039 -8.678 -7.938 1.00 0.00 H new ATOM 467 N ILE A 116 -6.159 -5.112 -5.918 1.00 0.00 N ATOM 468 CA ILE A 116 -7.018 -4.746 -4.819 1.00 0.00 C ATOM 469 C ILE A 116 -8.125 -5.770 -4.668 1.00 0.00 C ATOM 470 O ILE A 116 -8.664 -6.275 -5.668 1.00 0.00 O ATOM 471 CB ILE A 116 -7.681 -3.368 -5.062 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.642 -2.277 -5.202 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.663 -3.025 -3.946 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.225 -0.977 -5.600 1.00 0.00 C ATOM 0 H ILE A 116 -6.654 -5.277 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.401 -4.703 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.235 -3.434 -5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.116 -2.159 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.902 -2.580 -5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.113 -2.052 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.444 -3.784 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.134 -2.993 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.432 -0.233 -5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.728 -1.083 -6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.945 -0.656 -4.848 1.00 0.00 H new ATOM 486 N ASP A 117 -8.452 -6.069 -3.455 1.00 0.00 N ATOM 487 CA ASP A 117 -9.568 -6.888 -3.124 1.00 0.00 C ATOM 488 C ASP A 117 -10.545 -5.966 -2.463 1.00 0.00 C ATOM 489 O ASP A 117 -10.402 -5.653 -1.284 1.00 0.00 O ATOM 490 CB ASP A 117 -9.183 -7.984 -2.142 1.00 0.00 C ATOM 491 CG ASP A 117 -10.261 -9.023 -1.944 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.451 -8.672 -1.813 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.924 -10.218 -1.915 1.00 0.00 O ATOM 0 H ASP A 117 -7.933 -5.739 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.968 -7.377 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.277 -8.475 -2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.945 -7.531 -1.180 1.00 0.00 H new ATOM 498 N PHE A 118 -11.485 -5.471 -3.218 1.00 0.00 N ATOM 499 CA PHE A 118 -12.448 -4.514 -2.696 1.00 0.00 C ATOM 500 C PHE A 118 -13.371 -5.158 -1.681 1.00 0.00 C ATOM 501 O PHE A 118 -13.922 -4.482 -0.814 1.00 0.00 O ATOM 502 CB PHE A 118 -13.249 -3.857 -3.812 1.00 0.00 C ATOM 503 CG PHE A 118 -12.416 -3.037 -4.768 1.00 0.00 C ATOM 504 CD1 PHE A 118 -11.999 -1.752 -4.432 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.066 -3.541 -6.005 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.250 -1.000 -5.318 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.313 -2.791 -6.890 1.00 0.00 C ATOM 508 CZ PHE A 118 -10.907 -1.521 -6.546 1.00 0.00 C ATOM 0 H PHE A 118 -11.614 -5.709 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.881 -3.733 -2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.771 -4.631 -4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.011 -3.216 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.263 -1.339 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.385 -4.534 -6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -10.934 -0.004 -5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.043 -3.202 -7.852 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.321 -0.934 -7.238 1.00 0.00 H new ATOM 518 N LYS A 119 -13.521 -6.461 -1.777 1.00 0.00 N ATOM 519 CA LYS A 119 -14.379 -7.194 -0.879 1.00 0.00 C ATOM 520 C LYS A 119 -13.736 -7.303 0.492 1.00 0.00 C ATOM 521 O LYS A 119 -14.409 -7.177 1.510 1.00 0.00 O ATOM 522 CB LYS A 119 -14.715 -8.567 -1.460 1.00 0.00 C ATOM 523 CG LYS A 119 -15.426 -8.493 -2.808 1.00 0.00 C ATOM 524 CD LYS A 119 -16.797 -7.833 -2.689 1.00 0.00 C ATOM 525 CE LYS A 119 -17.474 -7.665 -4.046 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.686 -8.947 -4.738 1.00 0.00 N ATOM 0 H LYS A 119 -13.053 -7.037 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.317 -6.651 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.795 -9.141 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.344 -9.109 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.812 -7.932 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.540 -9.498 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.433 -8.434 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.689 -6.857 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -18.434 -7.168 -3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.865 -7.015 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.252 -8.789 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.767 -9.356 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.189 -9.603 -4.107 1.00 0.00 H new ATOM 540 N ARG A 120 -12.429 -7.514 0.523 1.00 0.00 N ATOM 541 CA ARG A 120 -11.721 -7.576 1.799 1.00 0.00 C ATOM 542 C ARG A 120 -11.215 -6.227 2.220 1.00 0.00 C ATOM 543 O ARG A 120 -10.728 -6.070 3.351 1.00 0.00 O ATOM 544 CB ARG A 120 -10.544 -8.507 1.739 1.00 0.00 C ATOM 545 CG ARG A 120 -10.893 -9.927 1.476 1.00 0.00 C ATOM 546 CD ARG A 120 -9.673 -10.781 1.639 1.00 0.00 C ATOM 547 NE ARG A 120 -8.738 -10.615 0.539 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.422 -10.494 0.674 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.884 -10.338 1.880 1.00 0.00 N ATOM 550 NH2 ARG A 120 -6.643 -10.491 -0.399 1.00 0.00 N ATOM 0 H ARG A 120 -11.843 -7.643 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.448 -7.943 2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.864 -8.163 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -10.002 -8.448 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -11.673 -10.254 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.292 -10.033 0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.177 -10.529 2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.970 -11.828 1.707 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.120 -10.590 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.482 -10.311 2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.873 -10.245 1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.054 -10.582 -1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -5.633 -10.398 -0.295 1.00 0.00 H new ATOM 564 N GLU A 121 -11.338 -5.265 1.314 1.00 0.00 N ATOM 565 CA GLU A 121 -10.887 -3.902 1.512 1.00 0.00 C ATOM 566 C GLU A 121 -9.343 -3.891 1.662 1.00 0.00 C ATOM 567 O GLU A 121 -8.752 -3.050 2.343 1.00 0.00 O ATOM 568 CB GLU A 121 -11.618 -3.288 2.721 1.00 0.00 C ATOM 569 CG GLU A 121 -11.466 -1.793 2.871 1.00 0.00 C ATOM 570 CD GLU A 121 -12.300 -1.253 3.987 1.00 0.00 C ATOM 571 OE1 GLU A 121 -11.874 -1.309 5.167 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.403 -0.748 3.713 1.00 0.00 O ATOM 0 H GLU A 121 -11.765 -5.419 0.401 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.130 -3.282 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.679 -3.523 2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.252 -3.768 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.419 -1.552 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.749 -1.305 1.938 1.00 0.00 H new ATOM 579 N THR A 122 -8.700 -4.798 0.960 1.00 0.00 N ATOM 580 CA THR A 122 -7.269 -4.930 1.014 1.00 0.00 C ATOM 581 C THR A 122 -6.685 -4.809 -0.382 1.00 0.00 C ATOM 582 O THR A 122 -7.410 -4.853 -1.359 1.00 0.00 O ATOM 583 CB THR A 122 -6.855 -6.288 1.600 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.357 -7.342 0.771 1.00 0.00 O ATOM 585 CG2 THR A 122 -7.413 -6.481 2.987 1.00 0.00 C ATOM 0 H THR A 122 -9.159 -5.463 0.337 1.00 0.00 H new ATOM 0 HA THR A 122 -6.889 -4.135 1.656 1.00 0.00 H new ATOM 0 HB THR A 122 -5.766 -6.310 1.644 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.609 -7.875 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 122 -7.101 -7.452 3.373 1.00 0.00 H new ATOM 0 HG22 THR A 122 -7.040 -5.694 3.642 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.502 -6.437 2.951 1.00 0.00 H new ATOM 593 N CYS A 123 -5.411 -4.605 -0.463 1.00 0.00 N ATOM 594 CA CYS A 123 -4.710 -4.545 -1.706 1.00 0.00 C ATOM 595 C CYS A 123 -3.287 -5.024 -1.542 1.00 0.00 C ATOM 596 O CYS A 123 -2.759 -5.007 -0.451 1.00 0.00 O ATOM 597 CB CYS A 123 -4.750 -3.141 -2.232 1.00 0.00 C ATOM 598 SG CYS A 123 -4.300 -1.932 -0.994 1.00 0.00 S ATOM 0 H CYS A 123 -4.813 -4.472 0.353 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.196 -5.205 -2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.073 -3.055 -3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.752 -2.923 -2.600 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.185 -2.516 0.161 1.00 0.00 H new ATOM 604 N VAL A 124 -2.684 -5.451 -2.606 1.00 0.00 N ATOM 605 CA VAL A 124 -1.303 -5.840 -2.583 1.00 0.00 C ATOM 606 C VAL A 124 -0.509 -4.714 -3.186 1.00 0.00 C ATOM 607 O VAL A 124 -0.863 -4.211 -4.268 1.00 0.00 O ATOM 608 CB VAL A 124 -1.041 -7.153 -3.372 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.435 -7.550 -3.295 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.918 -8.278 -2.843 1.00 0.00 C ATOM 0 H VAL A 124 -3.132 -5.541 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 124 -1.007 -6.035 -1.552 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.294 -6.975 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.594 -8.472 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.048 -6.756 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.716 -7.705 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.721 -9.189 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.695 -8.448 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.967 -8.004 -2.952 1.00 0.00 H new ATOM 620 N VAL A 125 0.535 -4.314 -2.525 1.00 0.00 N ATOM 621 CA VAL A 125 1.330 -3.221 -2.983 1.00 0.00 C ATOM 622 C VAL A 125 2.742 -3.693 -3.259 1.00 0.00 C ATOM 623 O VAL A 125 3.247 -4.620 -2.612 1.00 0.00 O ATOM 624 CB VAL A 125 1.373 -2.065 -1.932 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.029 -1.535 -1.633 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.063 -2.514 -0.639 1.00 0.00 C ATOM 0 H VAL A 125 0.857 -4.737 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 125 0.876 -2.840 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 125 1.958 -1.254 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.035 -0.732 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.477 -1.153 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.646 -2.341 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.077 -1.688 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.518 -3.354 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.086 -2.820 -0.860 1.00 0.00 H new ATOM 636 N VAL A 126 3.344 -3.103 -4.247 1.00 0.00 N ATOM 637 CA VAL A 126 4.697 -3.394 -4.605 1.00 0.00 C ATOM 638 C VAL A 126 5.539 -2.195 -4.277 1.00 0.00 C ATOM 639 O VAL A 126 5.316 -1.109 -4.825 1.00 0.00 O ATOM 640 CB VAL A 126 4.853 -3.720 -6.112 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.322 -3.949 -6.457 1.00 0.00 C ATOM 642 CG2 VAL A 126 4.031 -4.938 -6.487 1.00 0.00 C ATOM 0 H VAL A 126 2.902 -2.396 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 126 5.014 -4.274 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 126 4.486 -2.868 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.415 -4.177 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.894 -3.050 -6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.707 -4.784 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.156 -5.148 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.367 -5.797 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.979 -4.746 -6.276 1.00 0.00 H new ATOM 652 N TYR A 127 6.482 -2.381 -3.400 1.00 0.00 N ATOM 653 CA TYR A 127 7.352 -1.316 -2.963 1.00 0.00 C ATOM 654 C TYR A 127 8.303 -0.932 -4.049 1.00 0.00 C ATOM 655 O TYR A 127 9.106 -1.760 -4.519 1.00 0.00 O ATOM 656 CB TYR A 127 8.112 -1.709 -1.726 1.00 0.00 C ATOM 657 CG TYR A 127 7.229 -1.950 -0.555 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.765 -0.888 0.187 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.852 -3.234 -0.187 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.953 -1.080 1.260 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.035 -3.442 0.882 1.00 0.00 C ATOM 662 CZ TYR A 127 5.583 -2.348 1.612 1.00 0.00 C ATOM 663 OH TYR A 127 4.748 -2.514 2.674 1.00 0.00 O ATOM 0 H TYR A 127 6.675 -3.282 -2.961 1.00 0.00 H new ATOM 0 HA TYR A 127 6.727 -0.456 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.688 -2.611 -1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.826 -0.923 -1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.051 0.116 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.211 -4.079 -0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.602 -0.234 1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.742 -4.444 1.160 1.00 0.00 H new ATOM 0 HH TYR A 127 4.900 -3.395 3.075 1.00 0.00 H new ATOM 673 N THR A 128 8.216 0.301 -4.438 1.00 0.00 N ATOM 674 CA THR A 128 8.992 0.833 -5.498 1.00 0.00 C ATOM 675 C THR A 128 10.475 0.880 -5.114 1.00 0.00 C ATOM 676 O THR A 128 10.843 1.365 -4.033 1.00 0.00 O ATOM 677 CB THR A 128 8.504 2.249 -5.803 1.00 0.00 C ATOM 678 OG1 THR A 128 7.068 2.233 -5.986 1.00 0.00 O ATOM 679 CG2 THR A 128 9.164 2.757 -7.056 1.00 0.00 C ATOM 0 H THR A 128 7.584 0.979 -4.011 1.00 0.00 H new ATOM 0 HA THR A 128 8.881 0.195 -6.375 1.00 0.00 H new ATOM 0 HB THR A 128 8.760 2.906 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.753 3.140 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.813 3.767 -7.269 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.245 2.771 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.913 2.102 -7.891 1.00 0.00 H new ATOM 687 N GLY A 129 11.310 0.371 -5.995 1.00 0.00 N ATOM 688 CA GLY A 129 12.727 0.365 -5.775 1.00 0.00 C ATOM 689 C GLY A 129 13.192 -0.912 -5.124 1.00 0.00 C ATOM 690 O GLY A 129 14.387 -1.209 -5.101 1.00 0.00 O ATOM 0 H GLY A 129 11.019 -0.047 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.242 0.495 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.000 1.213 -5.146 1.00 0.00 H new ATOM 694 N TYR A 130 12.261 -1.646 -4.562 1.00 0.00 N ATOM 695 CA TYR A 130 12.586 -2.887 -3.889 1.00 0.00 C ATOM 696 C TYR A 130 12.043 -4.092 -4.627 1.00 0.00 C ATOM 697 O TYR A 130 12.649 -5.160 -4.613 1.00 0.00 O ATOM 698 CB TYR A 130 12.052 -2.868 -2.474 1.00 0.00 C ATOM 699 CG TYR A 130 12.539 -1.694 -1.680 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.817 -1.673 -1.161 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.718 -0.607 -1.447 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.263 -0.602 -0.432 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.154 0.469 -0.721 1.00 0.00 C ATOM 704 CZ TYR A 130 13.430 0.468 -0.214 1.00 0.00 C ATOM 705 OH TYR A 130 13.879 1.545 0.517 1.00 0.00 O ATOM 0 H TYR A 130 11.269 -1.407 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 130 13.673 -2.972 -3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.962 -2.853 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.345 -3.788 -1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.475 -2.512 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.714 -0.606 -1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.266 -0.599 -0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.500 1.311 -0.549 1.00 0.00 H new ATOM 0 HH TYR A 130 13.169 2.217 0.579 1.00 0.00 H new ATOM 715 N GLY A 131 10.882 -3.938 -5.233 1.00 0.00 N ATOM 716 CA GLY A 131 10.275 -5.037 -5.957 1.00 0.00 C ATOM 717 C GLY A 131 9.509 -5.983 -5.044 1.00 0.00 C ATOM 718 O GLY A 131 8.986 -7.008 -5.491 1.00 0.00 O ATOM 0 H GLY A 131 10.344 -3.071 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.598 -4.640 -6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 131 11.050 -5.594 -6.483 1.00 0.00 H new ATOM 722 N ASN A 132 9.435 -5.639 -3.778 1.00 0.00 N ATOM 723 CA ASN A 132 8.719 -6.450 -2.788 1.00 0.00 C ATOM 724 C ASN A 132 7.245 -6.218 -2.908 1.00 0.00 C ATOM 725 O ASN A 132 6.822 -5.167 -3.382 1.00 0.00 O ATOM 726 CB ASN A 132 9.120 -6.098 -1.360 1.00 0.00 C ATOM 727 CG ASN A 132 10.451 -6.639 -0.882 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.405 -6.841 -1.648 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.526 -6.842 0.403 1.00 0.00 N ATOM 0 H ASN A 132 9.863 -4.796 -3.395 1.00 0.00 H new ATOM 0 HA ASN A 132 8.977 -7.490 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.140 -5.012 -1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.342 -6.460 -0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.395 -7.180 0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.716 -6.662 0.996 1.00 0.00 H new ATOM 736 N ARG A 133 6.466 -7.160 -2.449 1.00 0.00 N ATOM 737 CA ARG A 133 5.034 -7.044 -2.505 1.00 0.00 C ATOM 738 C ARG A 133 4.427 -7.613 -1.236 1.00 0.00 C ATOM 739 O ARG A 133 4.856 -8.671 -0.749 1.00 0.00 O ATOM 740 CB ARG A 133 4.473 -7.725 -3.790 1.00 0.00 C ATOM 741 CG ARG A 133 4.583 -9.250 -3.846 1.00 0.00 C ATOM 742 CD ARG A 133 3.301 -9.934 -3.374 1.00 0.00 C ATOM 743 NE ARG A 133 3.457 -11.383 -3.273 1.00 0.00 N ATOM 744 CZ ARG A 133 2.478 -12.290 -3.399 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.259 -11.933 -3.794 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.734 -13.568 -3.163 1.00 0.00 N ATOM 0 H ARG A 133 6.804 -8.025 -2.028 1.00 0.00 H new ATOM 0 HA ARG A 133 4.756 -5.992 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.422 -7.453 -3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.995 -7.311 -4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.805 -9.560 -4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.418 -9.576 -3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.013 -9.532 -2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.492 -9.704 -4.067 1.00 0.00 H new ATOM 0 HE ARG A 133 4.396 -11.737 -3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.057 -10.956 -4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.526 -12.636 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.672 -13.858 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.993 -14.262 -3.257 1.00 0.00 H new ATOM 760 N GLU A 134 3.471 -6.920 -0.697 1.00 0.00 N ATOM 761 CA GLU A 134 2.782 -7.345 0.494 1.00 0.00 C ATOM 762 C GLU A 134 1.394 -6.751 0.471 1.00 0.00 C ATOM 763 O GLU A 134 1.132 -5.822 -0.296 1.00 0.00 O ATOM 764 CB GLU A 134 3.524 -7.027 1.813 1.00 0.00 C ATOM 765 CG GLU A 134 3.306 -5.654 2.363 1.00 0.00 C ATOM 766 CD GLU A 134 3.877 -5.469 3.757 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.288 -6.000 4.728 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.927 -4.820 3.918 1.00 0.00 O ATOM 0 H GLU A 134 3.139 -6.032 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 134 2.734 -8.434 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.217 -7.753 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.593 -7.168 1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.760 -4.925 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.237 -5.444 2.385 1.00 0.00 H new ATOM 775 N GLU A 135 0.513 -7.341 1.195 1.00 0.00 N ATOM 776 CA GLU A 135 -0.855 -6.950 1.204 1.00 0.00 C ATOM 777 C GLU A 135 -1.147 -5.996 2.354 1.00 0.00 C ATOM 778 O GLU A 135 -0.717 -6.216 3.491 1.00 0.00 O ATOM 779 CB GLU A 135 -1.692 -8.180 1.317 1.00 0.00 C ATOM 780 CG GLU A 135 -3.134 -7.981 0.966 1.00 0.00 C ATOM 781 CD GLU A 135 -3.865 -9.273 0.887 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.284 -9.800 1.931 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.027 -9.812 -0.234 1.00 0.00 O ATOM 0 H GLU A 135 0.724 -8.126 1.811 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.089 -6.421 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.275 -8.949 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.628 -8.556 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.605 -7.342 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.207 -7.462 0.010 1.00 0.00 H new ATOM 790 N GLN A 136 -1.904 -4.989 2.058 1.00 0.00 N ATOM 791 CA GLN A 136 -2.267 -3.945 2.981 1.00 0.00 C ATOM 792 C GLN A 136 -3.707 -3.609 2.817 1.00 0.00 C ATOM 793 O GLN A 136 -4.293 -3.883 1.794 1.00 0.00 O ATOM 794 CB GLN A 136 -1.438 -2.652 2.812 1.00 0.00 C ATOM 795 CG GLN A 136 -0.169 -2.617 3.633 1.00 0.00 C ATOM 796 CD GLN A 136 1.028 -3.120 2.908 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.926 -3.894 1.991 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.175 -2.748 3.382 1.00 0.00 N ATOM 0 H GLN A 136 -2.306 -4.860 1.130 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.059 -4.336 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.180 -2.534 1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.058 -1.798 3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.017 -1.592 3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.314 -3.213 4.534 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.216 -2.090 4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.037 -3.113 2.977 1.00 0.00 H new ATOM 807 N ASN A 137 -4.265 -3.026 3.810 1.00 0.00 N ATOM 808 CA ASN A 137 -5.643 -2.604 3.783 1.00 0.00 C ATOM 809 C ASN A 137 -5.736 -1.284 3.061 1.00 0.00 C ATOM 810 O ASN A 137 -4.816 -0.471 3.140 1.00 0.00 O ATOM 811 CB ASN A 137 -6.194 -2.452 5.197 1.00 0.00 C ATOM 812 CG ASN A 137 -6.054 -3.705 6.032 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.922 -4.586 6.026 1.00 0.00 O ATOM 814 ND2 ASN A 137 -4.979 -3.795 6.760 1.00 0.00 N ATOM 0 H ASN A 137 -3.784 -2.818 4.685 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.234 -3.360 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.676 -1.632 5.695 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.247 -2.177 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.831 -4.613 7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.285 -3.048 6.739 1.00 0.00 H new ATOM 821 N LEU A 138 -6.830 -1.063 2.382 1.00 0.00 N ATOM 822 CA LEU A 138 -7.046 0.169 1.603 1.00 0.00 C ATOM 823 C LEU A 138 -7.012 1.406 2.496 1.00 0.00 C ATOM 824 O LEU A 138 -6.519 2.457 2.103 1.00 0.00 O ATOM 825 CB LEU A 138 -8.389 0.109 0.867 1.00 0.00 C ATOM 826 CG LEU A 138 -8.536 -0.982 -0.186 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.975 -1.070 -0.627 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.658 -0.697 -1.385 1.00 0.00 C ATOM 0 H LEU A 138 -7.609 -1.721 2.341 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.236 0.243 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.179 -0.022 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.559 1.073 0.387 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.225 -1.929 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.078 -1.851 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.604 -1.308 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.285 -0.115 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.781 -1.490 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.944 0.257 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.615 -0.653 -1.070 1.00 0.00 H new ATOM 840 N SER A 139 -7.523 1.274 3.697 1.00 0.00 N ATOM 841 CA SER A 139 -7.562 2.394 4.613 1.00 0.00 C ATOM 842 C SER A 139 -6.202 2.573 5.297 1.00 0.00 C ATOM 843 O SER A 139 -5.914 3.626 5.878 1.00 0.00 O ATOM 844 CB SER A 139 -8.663 2.186 5.635 1.00 0.00 C ATOM 845 OG SER A 139 -9.030 3.402 6.276 1.00 0.00 O ATOM 0 H SER A 139 -7.916 0.407 4.064 1.00 0.00 H new ATOM 0 HA SER A 139 -7.778 3.305 4.054 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.537 1.756 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.332 1.467 6.384 1.00 0.00 H new ATOM 0 HG SER A 139 -9.135 4.107 5.604 1.00 0.00 H new ATOM 851 N ASP A 140 -5.377 1.543 5.218 1.00 0.00 N ATOM 852 CA ASP A 140 -4.039 1.571 5.838 1.00 0.00 C ATOM 853 C ASP A 140 -3.118 2.318 4.965 1.00 0.00 C ATOM 854 O ASP A 140 -2.195 2.950 5.434 1.00 0.00 O ATOM 855 CB ASP A 140 -3.485 0.176 6.025 1.00 0.00 C ATOM 856 CG ASP A 140 -2.284 0.114 6.964 1.00 0.00 C ATOM 857 OD1 ASP A 140 -2.370 0.588 8.112 1.00 0.00 O ATOM 858 OD2 ASP A 140 -1.238 -0.442 6.567 1.00 0.00 O ATOM 0 H ASP A 140 -5.598 0.673 4.734 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.132 2.047 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.273 -0.469 6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.196 -0.224 5.053 1.00 0.00 H new ATOM 863 N LEU A 141 -3.376 2.212 3.681 1.00 0.00 N ATOM 864 CA LEU A 141 -2.597 2.892 2.647 1.00 0.00 C ATOM 865 C LEU A 141 -2.571 4.376 2.858 1.00 0.00 C ATOM 866 O LEU A 141 -3.575 4.993 3.237 1.00 0.00 O ATOM 867 CB LEU A 141 -3.142 2.643 1.252 1.00 0.00 C ATOM 868 CG LEU A 141 -3.168 1.226 0.735 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.649 1.234 -0.700 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.799 0.604 0.829 1.00 0.00 C ATOM 0 H LEU A 141 -4.140 1.646 3.311 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.592 2.477 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.162 3.027 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.555 3.240 0.554 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.849 0.631 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.671 0.213 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.651 1.660 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.972 1.834 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.837 -0.418 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.094 1.185 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.474 0.595 1.869 1.00 0.00 H new ATOM 882 N LEU A 142 -1.444 4.942 2.602 1.00 0.00 N ATOM 883 CA LEU A 142 -1.267 6.342 2.734 1.00 0.00 C ATOM 884 C LEU A 142 -1.013 6.925 1.366 1.00 0.00 C ATOM 885 O LEU A 142 -0.622 6.195 0.442 1.00 0.00 O ATOM 886 CB LEU A 142 -0.106 6.686 3.690 1.00 0.00 C ATOM 887 CG LEU A 142 -0.210 6.164 5.139 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.182 4.691 5.271 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.566 7.050 6.096 1.00 0.00 C ATOM 0 H LEU A 142 -0.612 4.440 2.292 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.171 6.772 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.816 6.298 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.009 7.771 3.727 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.262 6.215 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.089 4.382 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.476 4.082 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.213 4.558 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.475 6.658 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.617 7.066 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.164 8.063 6.061 1.00 0.00 H new ATOM 901 N SER A 143 -1.229 8.209 1.236 1.00 0.00 N ATOM 902 CA SER A 143 -1.025 8.916 -0.002 1.00 0.00 C ATOM 903 C SER A 143 0.478 8.833 -0.369 1.00 0.00 C ATOM 904 O SER A 143 1.341 8.843 0.533 1.00 0.00 O ATOM 905 CB SER A 143 -1.500 10.375 0.180 1.00 0.00 C ATOM 906 OG SER A 143 -1.602 11.071 -1.055 1.00 0.00 O ATOM 0 H SER A 143 -1.557 8.801 1.999 1.00 0.00 H new ATOM 0 HA SER A 143 -1.599 8.476 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.470 10.379 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.805 10.901 0.834 1.00 0.00 H new ATOM 0 HG SER A 143 -1.907 11.988 -0.890 1.00 0.00 H new ATOM 912 N PRO A 144 0.818 8.681 -1.664 1.00 0.00 N ATOM 913 CA PRO A 144 2.200 8.511 -2.090 1.00 0.00 C ATOM 914 C PRO A 144 3.043 9.745 -1.885 1.00 0.00 C ATOM 915 O PRO A 144 2.539 10.869 -1.761 1.00 0.00 O ATOM 916 CB PRO A 144 2.108 8.190 -3.568 1.00 0.00 C ATOM 917 CG PRO A 144 0.817 8.769 -3.992 1.00 0.00 C ATOM 918 CD PRO A 144 -0.105 8.682 -2.806 1.00 0.00 C ATOM 0 HA PRO A 144 2.685 7.733 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.940 8.626 -4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 144 2.138 7.115 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.943 9.804 -4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 144 0.408 8.222 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.793 9.527 -2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.713 7.778 -2.834 1.00 0.00 H new ATOM 926 N ILE A 145 4.305 9.531 -1.890 1.00 0.00 N ATOM 927 CA ILE A 145 5.271 10.568 -1.657 1.00 0.00 C ATOM 928 C ILE A 145 5.925 10.960 -2.965 1.00 0.00 C ATOM 929 O ILE A 145 5.629 10.366 -4.013 1.00 0.00 O ATOM 930 CB ILE A 145 6.345 10.107 -0.641 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.042 8.819 -1.131 1.00 0.00 C ATOM 932 CG2 ILE A 145 5.711 9.901 0.729 1.00 0.00 C ATOM 933 CD1 ILE A 145 8.129 8.310 -0.208 1.00 0.00 C ATOM 0 H ILE A 145 4.717 8.613 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 145 4.757 11.432 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 145 7.106 10.883 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.292 8.038 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 145 7.474 9.005 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 145 6.473 9.577 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 145 5.272 10.838 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 145 4.933 9.140 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.566 7.403 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 145 8.902 9.071 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.702 8.089 0.770 1.00 0.00 H new ATOM 945 N CYS A 146 6.790 11.941 -2.922 1.00 0.00 N ATOM 946 CA CYS A 146 7.477 12.386 -4.105 1.00 0.00 C ATOM 947 C CYS A 146 8.601 11.413 -4.447 1.00 0.00 C ATOM 948 O CYS A 146 9.263 10.846 -3.548 1.00 0.00 O ATOM 949 CB CYS A 146 8.013 13.807 -3.913 1.00 0.00 C ATOM 950 SG CYS A 146 8.714 14.573 -5.396 1.00 0.00 S ATOM 0 H CYS A 146 7.036 12.450 -2.073 1.00 0.00 H new ATOM 0 HA CYS A 146 6.775 12.408 -4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 146 7.203 14.437 -3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 146 8.778 13.788 -3.137 1.00 0.00 H new ATOM 0 HG CYS A 146 9.131 15.771 -5.110 1.00 0.00 H new ATOM 956 N GLU A 147 8.783 11.199 -5.718 1.00 0.00 N ATOM 957 CA GLU A 147 9.781 10.297 -6.231 1.00 0.00 C ATOM 958 C GLU A 147 10.603 11.006 -7.292 1.00 0.00 C ATOM 959 O GLU A 147 10.153 11.080 -8.456 1.00 0.00 O ATOM 960 CB GLU A 147 9.128 9.038 -6.821 1.00 0.00 C ATOM 961 CG GLU A 147 8.368 8.183 -5.820 1.00 0.00 C ATOM 962 CD GLU A 147 7.784 6.957 -6.459 1.00 0.00 C ATOM 963 OE1 GLU A 147 8.539 6.009 -6.747 1.00 0.00 O ATOM 964 OE2 GLU A 147 6.568 6.918 -6.700 1.00 0.00 O ATOM 965 OXT GLU A 147 11.693 11.523 -6.970 1.00 0.00 O ATOM 0 H GLU A 147 8.231 11.655 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 147 10.431 9.988 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 147 8.443 9.339 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 147 9.903 8.427 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.038 7.887 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 147 7.569 8.774 -5.371 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.707 -1.395 1.858 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.113 -3.548 0.685 1.00 0.00 C HETATM 975 N DA2 A1148 14.262 -7.503 -1.223 1.00 0.00 N HETATM 976 CA DA2 A1148 14.698 -7.021 0.074 1.00 0.00 C HETATM 977 CB DA2 A1148 14.268 -5.560 0.262 1.00 0.00 C HETATM 978 CG DA2 A1148 14.461 -5.017 1.668 1.00 0.00 C HETATM 979 CD DA2 A1148 14.044 -3.566 1.752 1.00 0.00 C HETATM 980 NE DA2 A1148 12.635 -3.410 1.461 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.860 -2.416 1.841 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.314 -1.420 2.561 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.613 -2.444 1.479 1.00 0.00 N HETATM 984 C DA2 A1148 14.085 -7.898 1.130 1.00 0.00 C HETATM 985 O DA2 A1148 14.823 -8.535 1.910 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.861 -8.001 1.159 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.180 -1.627 3.551 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.877 -5.608 2.373 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.507 -5.116 1.959 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.257 -3.181 2.749 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.631 -2.975 1.049 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.831 -4.938 -0.434 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 13.216 -5.468 -0.007 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.317 -4.057 1.229 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.722 -3.169 -0.259 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.923 -4.250 0.487 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.299 -0.926 0.963 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.894 -1.813 2.452 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.240 -0.649 2.448 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.198 -4.145 0.905 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 14.469 -8.461 -1.507 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.749 -6.884 -1.851 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.785 -7.061 0.150 1.00 0.00 H new