USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 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 -150:sc= 1.17 USER MOD Set 1.2: A 136 GLN : amide:sc= -3.79! C(o=-2.6!,f=-11!) USER MOD Single : A 84 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -104:sc= 1.27 USER MOD Single : A 90 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.66) USER MOD Single : A 91 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.3) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= 1.19 (180deg=1.12) USER MOD Single : A 98 CYS SG : rot -7:sc= 1.14 USER MOD Single : A 99 SER OG : rot 109:sc= -0.605! USER MOD Single : A 103 SER OG : rot -24:sc= 0.0177 USER MOD Single : A 107 CYS SG : rot 124:sc= 1.17 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= -0.164 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 163:sc= 0.71 USER MOD Single : A 123 CYS SG : rot -17:sc= -5.25! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot -120:sc= 0.049 USER MOD Single : A 132 ASN : amide:sc= 1.01 K(o=1,f=-4.8!) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 139 SER OG : rot 148:sc= 1.19 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0595 USER MOD Single : A 146 CYS SG : rot 180:sc= 0.0545 USER MOD Single : A1148 DA2 NH2 :NH3+ -91:sc= -0.212 (180deg=-4.23!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -8.901 5.123 14.656 1.00 0.00 N ATOM 2 CA ASN A 84 -7.476 5.410 14.527 1.00 0.00 C ATOM 3 C ASN A 84 -7.102 5.632 13.088 1.00 0.00 C ATOM 4 O ASN A 84 -6.394 6.580 12.763 1.00 0.00 O ATOM 5 CB ASN A 84 -6.625 4.289 15.129 1.00 0.00 C ATOM 6 CG ASN A 84 -6.816 4.160 16.621 1.00 0.00 C ATOM 7 OD1 ASN A 84 -7.123 5.138 17.302 1.00 0.00 O ATOM 8 ND2 ASN A 84 -6.638 2.975 17.145 1.00 0.00 N ATOM 0 HA ASN A 84 -7.275 6.325 15.084 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.881 3.344 14.650 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.573 4.480 14.915 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.753 2.839 18.149 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.384 2.187 16.549 1.00 0.00 H new ATOM 17 N THR A 85 -7.562 4.772 12.218 1.00 0.00 N ATOM 18 CA THR A 85 -7.298 4.916 10.832 1.00 0.00 C ATOM 19 C THR A 85 -8.314 5.873 10.198 1.00 0.00 C ATOM 20 O THR A 85 -9.477 5.520 9.954 1.00 0.00 O ATOM 21 CB THR A 85 -7.301 3.547 10.149 1.00 0.00 C ATOM 22 OG1 THR A 85 -6.291 2.726 10.774 1.00 0.00 O ATOM 23 CG2 THR A 85 -7.002 3.663 8.664 1.00 0.00 C ATOM 0 H THR A 85 -8.127 3.958 12.461 1.00 0.00 H new ATOM 0 HA THR A 85 -6.307 5.349 10.695 1.00 0.00 H new ATOM 0 HB THR A 85 -8.291 3.103 10.257 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.279 1.843 10.350 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.012 2.671 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.759 4.287 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.020 4.115 8.525 1.00 0.00 H new ATOM 31 N ALA A 86 -7.865 7.085 9.966 1.00 0.00 N ATOM 32 CA ALA A 86 -8.693 8.133 9.417 1.00 0.00 C ATOM 33 C ALA A 86 -8.560 8.191 7.904 1.00 0.00 C ATOM 34 O ALA A 86 -9.225 8.977 7.236 1.00 0.00 O ATOM 35 CB ALA A 86 -8.328 9.464 10.045 1.00 0.00 C ATOM 0 H ALA A 86 -6.905 7.374 10.155 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.735 7.913 9.649 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.957 10.249 9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.483 9.412 11.123 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.282 9.689 9.839 1.00 0.00 H new ATOM 41 N ALA A 87 -7.708 7.346 7.358 1.00 0.00 N ATOM 42 CA ALA A 87 -7.527 7.273 5.915 1.00 0.00 C ATOM 43 C ALA A 87 -8.476 6.239 5.315 1.00 0.00 C ATOM 44 O ALA A 87 -8.327 5.795 4.181 1.00 0.00 O ATOM 45 CB ALA A 87 -6.085 6.971 5.570 1.00 0.00 C ATOM 0 H ALA A 87 -7.127 6.698 7.890 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.770 8.243 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.973 6.921 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.444 7.759 5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.798 6.015 6.009 1.00 0.00 H new ATOM 51 N SER A 88 -9.513 5.960 6.049 1.00 0.00 N ATOM 52 CA SER A 88 -10.533 5.008 5.684 1.00 0.00 C ATOM 53 C SER A 88 -11.575 5.638 4.737 1.00 0.00 C ATOM 54 O SER A 88 -12.634 5.077 4.475 1.00 0.00 O ATOM 55 CB SER A 88 -11.161 4.487 6.979 1.00 0.00 C ATOM 56 OG SER A 88 -11.304 5.555 7.928 1.00 0.00 O ATOM 0 H SER A 88 -9.682 6.403 6.952 1.00 0.00 H new ATOM 0 HA SER A 88 -10.100 4.176 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.135 4.047 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.539 3.697 7.401 1.00 0.00 H new ATOM 0 HG SER A 88 -10.606 5.481 8.612 1.00 0.00 H new ATOM 62 N LEU A 89 -11.220 6.787 4.194 1.00 0.00 N ATOM 63 CA LEU A 89 -12.074 7.536 3.287 1.00 0.00 C ATOM 64 C LEU A 89 -11.510 7.501 1.874 1.00 0.00 C ATOM 65 O LEU A 89 -12.025 8.144 0.950 1.00 0.00 O ATOM 66 CB LEU A 89 -12.227 8.988 3.809 1.00 0.00 C ATOM 67 CG LEU A 89 -10.924 9.772 4.160 1.00 0.00 C ATOM 68 CD1 LEU A 89 -10.131 10.185 2.928 1.00 0.00 C ATOM 69 CD2 LEU A 89 -11.241 10.980 5.011 1.00 0.00 C ATOM 0 H LEU A 89 -10.320 7.233 4.371 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.062 7.078 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.770 9.560 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.853 8.960 4.701 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.293 9.088 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.236 10.726 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.842 9.297 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.746 10.828 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.319 11.513 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.915 11.642 4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.718 10.658 5.936 1.00 0.00 H new ATOM 81 N GLN A 90 -10.471 6.738 1.723 1.00 0.00 N ATOM 82 CA GLN A 90 -9.728 6.669 0.487 1.00 0.00 C ATOM 83 C GLN A 90 -10.292 5.639 -0.457 1.00 0.00 C ATOM 84 O GLN A 90 -10.796 4.597 -0.037 1.00 0.00 O ATOM 85 CB GLN A 90 -8.277 6.348 0.772 1.00 0.00 C ATOM 86 CG GLN A 90 -7.516 7.462 1.458 1.00 0.00 C ATOM 87 CD GLN A 90 -6.111 7.057 1.845 1.00 0.00 C ATOM 88 OE1 GLN A 90 -5.203 7.875 1.827 1.00 0.00 O ATOM 89 NE2 GLN A 90 -5.933 5.833 2.270 1.00 0.00 N ATOM 0 H GLN A 90 -10.105 6.135 2.460 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.808 7.644 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.230 5.455 1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.779 6.108 -0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.471 8.327 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.059 7.772 2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.713 5.175 2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.015 5.536 2.600 1.00 0.00 H new ATOM 98 N GLN A 91 -10.198 5.931 -1.722 1.00 0.00 N ATOM 99 CA GLN A 91 -10.613 5.024 -2.737 1.00 0.00 C ATOM 100 C GLN A 91 -9.452 4.845 -3.693 1.00 0.00 C ATOM 101 O GLN A 91 -8.980 5.805 -4.313 1.00 0.00 O ATOM 102 CB GLN A 91 -11.864 5.540 -3.453 1.00 0.00 C ATOM 103 CG GLN A 91 -12.498 4.537 -4.412 1.00 0.00 C ATOM 104 CD GLN A 91 -12.822 3.215 -3.733 1.00 0.00 C ATOM 105 OE1 GLN A 91 -13.892 3.048 -3.158 1.00 0.00 O ATOM 106 NE2 GLN A 91 -11.935 2.249 -3.845 1.00 0.00 N ATOM 0 H GLN A 91 -9.828 6.814 -2.074 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.884 4.061 -2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.603 5.827 -2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.605 6.442 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.411 4.963 -4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.821 4.358 -5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.054 2.419 -4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.129 1.330 -3.447 1.00 0.00 H new ATOM 115 N TRP A 92 -8.949 3.650 -3.752 1.00 0.00 N ATOM 116 CA TRP A 92 -7.794 3.361 -4.561 1.00 0.00 C ATOM 117 C TRP A 92 -8.159 2.545 -5.778 1.00 0.00 C ATOM 118 O TRP A 92 -9.247 1.937 -5.835 1.00 0.00 O ATOM 119 CB TRP A 92 -6.754 2.620 -3.742 1.00 0.00 C ATOM 120 CG TRP A 92 -6.226 3.398 -2.581 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.674 3.361 -1.301 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.134 4.318 -2.596 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.936 4.202 -0.521 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.983 4.801 -1.287 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.268 4.778 -3.586 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.005 5.721 -0.943 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.297 5.686 -3.242 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.173 6.146 -1.930 1.00 0.00 C ATOM 0 H TRP A 92 -9.322 2.847 -3.245 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.382 4.311 -4.901 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.190 1.691 -3.375 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.922 2.347 -4.391 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.496 2.754 -0.951 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.076 4.357 0.477 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.359 4.427 -4.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.908 6.086 0.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.618 6.050 -3.999 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.396 6.858 -1.693 1.00 0.00 H new ATOM 139 N LYS A 93 -7.254 2.531 -6.739 1.00 0.00 N ATOM 140 CA LYS A 93 -7.402 1.775 -7.959 1.00 0.00 C ATOM 141 C LYS A 93 -6.122 0.990 -8.184 1.00 0.00 C ATOM 142 O LYS A 93 -5.069 1.349 -7.649 1.00 0.00 O ATOM 143 CB LYS A 93 -7.668 2.714 -9.150 1.00 0.00 C ATOM 144 CG LYS A 93 -6.518 3.655 -9.426 1.00 0.00 C ATOM 145 CD LYS A 93 -6.900 4.786 -10.362 1.00 0.00 C ATOM 146 CE LYS A 93 -5.784 5.814 -10.419 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.167 7.034 -11.153 1.00 0.00 N ATOM 0 H LYS A 93 -6.381 3.056 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.251 1.097 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.864 2.117 -10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.568 3.296 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.161 4.073 -8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.690 3.094 -9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.094 4.393 -11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.822 5.257 -10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.492 6.083 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.910 5.369 -10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.368 7.700 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.420 6.786 -12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.984 7.478 -10.686 1.00 0.00 H new ATOM 161 N VAL A 94 -6.217 -0.086 -8.903 1.00 0.00 N ATOM 162 CA VAL A 94 -5.057 -0.894 -9.226 1.00 0.00 C ATOM 163 C VAL A 94 -4.094 -0.079 -10.091 1.00 0.00 C ATOM 164 O VAL A 94 -4.504 0.511 -11.102 1.00 0.00 O ATOM 165 CB VAL A 94 -5.459 -2.209 -9.949 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.231 -2.995 -10.369 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.321 -3.063 -9.039 1.00 0.00 C ATOM 0 H VAL A 94 -7.094 -0.437 -9.287 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.563 -1.174 -8.296 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.025 -1.943 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.540 -3.911 -10.873 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.628 -2.393 -11.049 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.641 -3.247 -9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.597 -3.982 -9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.764 -3.309 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.223 -2.513 -8.771 1.00 0.00 H new ATOM 177 N GLY A 95 -2.840 -0.025 -9.685 1.00 0.00 N ATOM 178 CA GLY A 95 -1.853 0.738 -10.408 1.00 0.00 C ATOM 179 C GLY A 95 -1.698 2.138 -9.861 1.00 0.00 C ATOM 180 O GLY A 95 -1.119 2.997 -10.512 1.00 0.00 O ATOM 0 H GLY A 95 -2.485 -0.503 -8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.893 0.224 -10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.136 0.790 -11.459 1.00 0.00 H new ATOM 184 N ASP A 96 -2.215 2.374 -8.671 1.00 0.00 N ATOM 185 CA ASP A 96 -2.144 3.702 -8.064 1.00 0.00 C ATOM 186 C ASP A 96 -0.921 3.775 -7.176 1.00 0.00 C ATOM 187 O ASP A 96 -0.570 2.782 -6.532 1.00 0.00 O ATOM 188 CB ASP A 96 -3.368 3.957 -7.201 1.00 0.00 C ATOM 189 CG ASP A 96 -3.898 5.384 -7.311 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.101 6.317 -7.581 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.139 5.592 -7.182 1.00 0.00 O ATOM 0 H ASP A 96 -2.688 1.672 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.095 4.446 -8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.157 3.261 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.120 3.748 -6.160 1.00 0.00 H new ATOM 196 N LYS A 97 -0.265 4.910 -7.158 1.00 0.00 N ATOM 197 CA LYS A 97 0.897 5.105 -6.313 1.00 0.00 C ATOM 198 C LYS A 97 0.468 5.417 -4.904 1.00 0.00 C ATOM 199 O LYS A 97 -0.482 6.167 -4.697 1.00 0.00 O ATOM 200 CB LYS A 97 1.736 6.251 -6.805 1.00 0.00 C ATOM 201 CG LYS A 97 2.162 6.131 -8.239 1.00 0.00 C ATOM 202 CD LYS A 97 3.312 7.065 -8.516 1.00 0.00 C ATOM 203 CE LYS A 97 2.940 8.521 -8.270 1.00 0.00 C ATOM 204 NZ LYS A 97 4.053 9.445 -8.574 1.00 0.00 N ATOM 0 H LYS A 97 -0.516 5.721 -7.723 1.00 0.00 H new ATOM 0 HA LYS A 97 1.479 4.184 -6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.175 7.177 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.625 6.331 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.457 5.104 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.325 6.367 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.158 6.796 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.636 6.944 -9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.077 8.781 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.641 8.646 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.929 10.327 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.955 9.001 -8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.059 9.658 -9.592 1.00 0.00 H new ATOM 218 N CYS A 98 1.170 4.894 -3.952 1.00 0.00 N ATOM 219 CA CYS A 98 0.845 5.109 -2.563 1.00 0.00 C ATOM 220 C CYS A 98 2.074 4.853 -1.698 1.00 0.00 C ATOM 221 O CYS A 98 3.192 4.709 -2.209 1.00 0.00 O ATOM 222 CB CYS A 98 -0.323 4.180 -2.149 1.00 0.00 C ATOM 223 SG CYS A 98 -0.003 2.425 -2.375 1.00 0.00 S ATOM 0 H CYS A 98 1.987 4.304 -4.106 1.00 0.00 H new ATOM 0 HA CYS A 98 0.532 6.143 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.559 4.360 -1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.207 4.451 -2.726 1.00 0.00 H new ATOM 0 HG CYS A 98 1.130 2.266 -2.993 1.00 0.00 H new ATOM 229 N SER A 99 1.881 4.841 -0.427 1.00 0.00 N ATOM 230 CA SER A 99 2.897 4.487 0.495 1.00 0.00 C ATOM 231 C SER A 99 2.291 3.474 1.423 1.00 0.00 C ATOM 232 O SER A 99 1.084 3.542 1.724 1.00 0.00 O ATOM 233 CB SER A 99 3.377 5.682 1.283 1.00 0.00 C ATOM 234 OG SER A 99 3.647 6.792 0.438 1.00 0.00 O ATOM 0 H SER A 99 0.991 5.083 0.009 1.00 0.00 H new ATOM 0 HA SER A 99 3.764 4.091 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.623 5.960 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.279 5.416 1.835 1.00 0.00 H new ATOM 0 HG SER A 99 2.963 7.480 0.573 1.00 0.00 H new ATOM 240 N ALA A 100 3.073 2.565 1.864 1.00 0.00 N ATOM 241 CA ALA A 100 2.589 1.491 2.661 1.00 0.00 C ATOM 242 C ALA A 100 3.519 1.232 3.818 1.00 0.00 C ATOM 243 O ALA A 100 4.668 1.685 3.811 1.00 0.00 O ATOM 244 CB ALA A 100 2.419 0.263 1.801 1.00 0.00 C ATOM 0 H ALA A 100 4.077 2.539 1.684 1.00 0.00 H new ATOM 0 HA ALA A 100 1.617 1.756 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.048 -0.560 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.706 0.473 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.380 -0.012 1.366 1.00 0.00 H new ATOM 250 N ILE A 101 3.014 0.555 4.817 1.00 0.00 N ATOM 251 CA ILE A 101 3.790 0.221 5.984 1.00 0.00 C ATOM 252 C ILE A 101 4.402 -1.137 5.764 1.00 0.00 C ATOM 253 O ILE A 101 3.670 -2.125 5.640 1.00 0.00 O ATOM 254 CB ILE A 101 2.893 0.172 7.270 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.470 1.572 7.704 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.576 -0.569 8.429 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.601 2.406 8.263 1.00 0.00 C ATOM 0 H ILE A 101 2.051 0.219 4.844 1.00 0.00 H new ATOM 0 HA ILE A 101 4.555 0.983 6.132 1.00 0.00 H new ATOM 0 HB ILE A 101 1.999 -0.392 7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.036 2.091 6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.687 1.488 8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.915 -0.576 9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.791 -1.594 8.129 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.507 -0.063 8.686 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.222 3.387 8.549 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.021 1.910 9.138 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.376 2.523 7.505 1.00 0.00 H new ATOM 269 N TRP A 102 5.713 -1.184 5.694 1.00 0.00 N ATOM 270 CA TRP A 102 6.422 -2.432 5.498 1.00 0.00 C ATOM 271 C TRP A 102 6.174 -3.296 6.697 1.00 0.00 C ATOM 272 O TRP A 102 6.494 -2.902 7.784 1.00 0.00 O ATOM 273 CB TRP A 102 7.926 -2.189 5.354 1.00 0.00 C ATOM 274 CG TRP A 102 8.678 -3.370 4.798 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.173 -4.346 4.008 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.065 -3.675 4.952 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.139 -5.232 3.661 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.311 -4.850 4.218 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.119 -3.081 5.627 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.562 -5.435 4.143 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.367 -3.668 5.555 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.575 -4.833 4.817 1.00 0.00 C ATOM 0 H TRP A 102 6.316 -0.365 5.771 1.00 0.00 H new ATOM 0 HA TRP A 102 6.067 -2.913 4.587 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.086 -1.329 4.704 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.339 -1.933 6.330 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.141 -4.410 3.696 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.004 -6.055 3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.968 -2.177 6.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.727 -6.336 3.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.196 -3.217 6.079 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.564 -5.266 4.781 1.00 0.00 H new ATOM 293 N SER A 103 5.624 -4.454 6.514 1.00 0.00 N ATOM 294 CA SER A 103 5.291 -5.311 7.642 1.00 0.00 C ATOM 295 C SER A 103 6.554 -5.808 8.378 1.00 0.00 C ATOM 296 O SER A 103 6.476 -6.282 9.513 1.00 0.00 O ATOM 297 CB SER A 103 4.422 -6.490 7.187 1.00 0.00 C ATOM 298 OG SER A 103 3.799 -7.141 8.282 1.00 0.00 O ATOM 0 H SER A 103 5.390 -4.841 5.600 1.00 0.00 H new ATOM 0 HA SER A 103 4.719 -4.713 8.351 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.659 -6.133 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.037 -7.205 6.642 1.00 0.00 H new ATOM 0 HG SER A 103 4.318 -6.979 9.097 1.00 0.00 H new ATOM 304 N GLU A 104 7.703 -5.677 7.752 1.00 0.00 N ATOM 305 CA GLU A 104 8.927 -6.147 8.352 1.00 0.00 C ATOM 306 C GLU A 104 9.513 -5.092 9.294 1.00 0.00 C ATOM 307 O GLU A 104 9.945 -5.403 10.403 1.00 0.00 O ATOM 308 CB GLU A 104 9.936 -6.499 7.277 1.00 0.00 C ATOM 309 CG GLU A 104 9.431 -7.495 6.250 1.00 0.00 C ATOM 310 CD GLU A 104 9.223 -8.886 6.792 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.169 -9.694 6.751 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.104 -9.214 7.242 1.00 0.00 O ATOM 0 H GLU A 104 7.813 -5.251 6.832 1.00 0.00 H new ATOM 0 HA GLU A 104 8.699 -7.040 8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.236 -5.586 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.829 -6.906 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.489 -7.132 5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.141 -7.541 5.424 1.00 0.00 H new ATOM 319 N ASP A 105 9.482 -3.836 8.874 1.00 0.00 N ATOM 320 CA ASP A 105 10.125 -2.767 9.666 1.00 0.00 C ATOM 321 C ASP A 105 9.080 -1.840 10.275 1.00 0.00 C ATOM 322 O ASP A 105 9.345 -1.103 11.221 1.00 0.00 O ATOM 323 CB ASP A 105 11.042 -1.963 8.752 1.00 0.00 C ATOM 324 CG ASP A 105 12.030 -1.096 9.481 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.102 -1.605 9.852 1.00 0.00 O ATOM 326 OD2 ASP A 105 11.787 0.102 9.650 1.00 0.00 O ATOM 0 H ASP A 105 9.033 -3.524 8.013 1.00 0.00 H new ATOM 0 HA ASP A 105 10.696 -3.221 10.476 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.587 -2.651 8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.431 -1.334 8.105 1.00 0.00 H new ATOM 331 N GLY A 106 7.887 -1.896 9.727 1.00 0.00 N ATOM 332 CA GLY A 106 6.766 -1.107 10.224 1.00 0.00 C ATOM 333 C GLY A 106 6.766 0.318 9.712 1.00 0.00 C ATOM 334 O GLY A 106 5.918 1.124 10.100 1.00 0.00 O ATOM 0 H GLY A 106 7.660 -2.486 8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.833 -1.590 9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.793 -1.095 11.314 1.00 0.00 H new ATOM 338 N CYS A 107 7.717 0.637 8.876 1.00 0.00 N ATOM 339 CA CYS A 107 7.869 1.982 8.384 1.00 0.00 C ATOM 340 C CYS A 107 7.170 2.229 7.051 1.00 0.00 C ATOM 341 O CYS A 107 6.806 1.282 6.349 1.00 0.00 O ATOM 342 CB CYS A 107 9.323 2.340 8.343 1.00 0.00 C ATOM 343 SG CYS A 107 10.074 2.380 9.978 1.00 0.00 S ATOM 0 H CYS A 107 8.406 -0.024 8.517 1.00 0.00 H new ATOM 0 HA CYS A 107 7.361 2.647 9.082 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.853 1.618 7.721 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.440 3.315 7.870 1.00 0.00 H new ATOM 0 HG CYS A 107 11.096 1.577 10.006 1.00 0.00 H new ATOM 349 N ILE A 108 6.993 3.501 6.721 1.00 0.00 N ATOM 350 CA ILE A 108 6.397 3.930 5.457 1.00 0.00 C ATOM 351 C ILE A 108 7.410 3.812 4.337 1.00 0.00 C ATOM 352 O ILE A 108 8.554 4.284 4.461 1.00 0.00 O ATOM 353 CB ILE A 108 5.958 5.419 5.483 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.987 5.708 6.614 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.314 5.774 4.151 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.616 5.131 6.410 1.00 0.00 C ATOM 0 H ILE A 108 7.261 4.275 7.328 1.00 0.00 H new ATOM 0 HA ILE A 108 5.530 3.288 5.302 1.00 0.00 H new ATOM 0 HB ILE A 108 6.846 6.028 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.400 5.314 7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.900 6.788 6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.004 6.819 4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.033 5.619 3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.443 5.139 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.985 5.383 7.262 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.179 5.544 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.687 4.047 6.319 1.00 0.00 H new ATOM 368 N TYR A 109 6.999 3.198 3.276 1.00 0.00 N ATOM 369 CA TYR A 109 7.787 3.088 2.079 1.00 0.00 C ATOM 370 C TYR A 109 6.897 3.284 0.875 1.00 0.00 C ATOM 371 O TYR A 109 5.693 2.987 0.943 1.00 0.00 O ATOM 372 CB TYR A 109 8.479 1.742 2.002 1.00 0.00 C ATOM 373 CG TYR A 109 9.556 1.550 3.027 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.851 1.953 2.774 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.281 0.944 4.239 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.842 1.757 3.704 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.262 0.748 5.172 1.00 0.00 C ATOM 378 CZ TYR A 109 11.538 1.154 4.901 1.00 0.00 C ATOM 379 OH TYR A 109 12.516 0.957 5.833 1.00 0.00 O ATOM 0 H TYR A 109 6.087 2.747 3.210 1.00 0.00 H new ATOM 0 HA TYR A 109 8.557 3.859 2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.734 0.955 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.912 1.624 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.088 2.428 1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.273 0.620 4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.853 2.074 3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.030 0.276 6.115 1.00 0.00 H new ATOM 0 HH TYR A 109 12.133 0.520 6.622 1.00 0.00 H new ATOM 389 N PRO A 110 7.453 3.807 -0.227 1.00 0.00 N ATOM 390 CA PRO A 110 6.695 4.039 -1.456 1.00 0.00 C ATOM 391 C PRO A 110 6.316 2.723 -2.133 1.00 0.00 C ATOM 392 O PRO A 110 7.167 1.847 -2.340 1.00 0.00 O ATOM 393 CB PRO A 110 7.673 4.828 -2.336 1.00 0.00 C ATOM 394 CG PRO A 110 9.030 4.448 -1.841 1.00 0.00 C ATOM 395 CD PRO A 110 8.879 4.200 -0.368 1.00 0.00 C ATOM 0 HA PRO A 110 5.756 4.562 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.551 4.573 -3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.507 5.902 -2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.396 3.557 -2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.751 5.243 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.549 3.412 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.109 5.092 0.215 1.00 0.00 H new ATOM 403 N ALA A 111 5.066 2.576 -2.472 1.00 0.00 N ATOM 404 CA ALA A 111 4.600 1.372 -3.090 1.00 0.00 C ATOM 405 C ALA A 111 3.461 1.659 -4.031 1.00 0.00 C ATOM 406 O ALA A 111 2.696 2.578 -3.826 1.00 0.00 O ATOM 407 CB ALA A 111 4.168 0.370 -2.044 1.00 0.00 C ATOM 0 H ALA A 111 4.347 3.285 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 111 5.424 0.948 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.817 -0.538 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.013 0.131 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.362 0.794 -1.445 1.00 0.00 H new ATOM 413 N THR A 112 3.338 0.882 -5.040 1.00 0.00 N ATOM 414 CA THR A 112 2.277 1.068 -5.978 1.00 0.00 C ATOM 415 C THR A 112 1.328 -0.118 -5.847 1.00 0.00 C ATOM 416 O THR A 112 1.767 -1.220 -5.528 1.00 0.00 O ATOM 417 CB THR A 112 2.866 1.122 -7.394 1.00 0.00 C ATOM 418 OG1 THR A 112 4.045 1.950 -7.375 1.00 0.00 O ATOM 419 CG2 THR A 112 1.875 1.721 -8.376 1.00 0.00 C ATOM 0 H THR A 112 3.961 0.101 -5.246 1.00 0.00 H new ATOM 0 HA THR A 112 1.740 1.997 -5.786 1.00 0.00 H new ATOM 0 HB THR A 112 3.103 0.106 -7.709 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.431 1.990 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.319 1.747 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.971 1.112 -8.398 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.622 2.735 -8.065 1.00 0.00 H new ATOM 427 N ILE A 113 0.062 0.098 -6.074 1.00 0.00 N ATOM 428 CA ILE A 113 -0.913 -0.957 -5.936 1.00 0.00 C ATOM 429 C ILE A 113 -0.848 -1.907 -7.125 1.00 0.00 C ATOM 430 O ILE A 113 -0.887 -1.472 -8.273 1.00 0.00 O ATOM 431 CB ILE A 113 -2.320 -0.360 -5.819 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.351 0.628 -4.654 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.349 -1.463 -5.611 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.621 1.407 -4.552 1.00 0.00 C ATOM 0 H ILE A 113 -0.324 0.999 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.687 -1.520 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.569 0.164 -6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.196 0.082 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.518 1.323 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.343 -1.023 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.324 -2.149 -6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.118 -2.008 -4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.564 2.085 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.769 1.983 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.458 0.722 -4.415 1.00 0.00 H new ATOM 446 N ALA A 114 -0.734 -3.180 -6.850 1.00 0.00 N ATOM 447 CA ALA A 114 -0.677 -4.184 -7.890 1.00 0.00 C ATOM 448 C ALA A 114 -2.021 -4.876 -8.063 1.00 0.00 C ATOM 449 O ALA A 114 -2.367 -5.299 -9.165 1.00 0.00 O ATOM 450 CB ALA A 114 0.405 -5.202 -7.589 1.00 0.00 C ATOM 0 H ALA A 114 -0.678 -3.553 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.434 -3.681 -8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.433 -5.949 -8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.371 -4.700 -7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.191 -5.690 -6.638 1.00 0.00 H new ATOM 456 N SER A 115 -2.778 -5.010 -6.987 1.00 0.00 N ATOM 457 CA SER A 115 -4.093 -5.667 -7.033 1.00 0.00 C ATOM 458 C SER A 115 -4.890 -5.240 -5.818 1.00 0.00 C ATOM 459 O SER A 115 -4.301 -5.009 -4.775 1.00 0.00 O ATOM 460 CB SER A 115 -3.933 -7.195 -6.993 1.00 0.00 C ATOM 461 OG SER A 115 -3.085 -7.675 -8.037 1.00 0.00 O ATOM 0 H SER A 115 -2.511 -4.674 -6.062 1.00 0.00 H new ATOM 0 HA SER A 115 -4.599 -5.382 -7.955 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.522 -7.491 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.913 -7.664 -7.079 1.00 0.00 H new ATOM 0 HG SER A 115 -3.009 -8.650 -7.974 1.00 0.00 H new ATOM 467 N ILE A 116 -6.198 -5.103 -5.960 1.00 0.00 N ATOM 468 CA ILE A 116 -7.074 -4.740 -4.864 1.00 0.00 C ATOM 469 C ILE A 116 -8.172 -5.777 -4.692 1.00 0.00 C ATOM 470 O ILE A 116 -8.777 -6.228 -5.677 1.00 0.00 O ATOM 471 CB ILE A 116 -7.747 -3.374 -5.126 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.718 -2.257 -5.188 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.818 -3.072 -4.082 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.293 -0.956 -5.620 1.00 0.00 C ATOM 0 H ILE A 116 -6.683 -5.242 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.461 -4.686 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.238 -3.432 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.262 -2.137 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.922 -2.542 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.272 -2.104 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.584 -3.846 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.364 -3.049 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.507 -0.201 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.725 -1.062 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.069 -0.650 -4.918 1.00 0.00 H new ATOM 486 N ASP A 117 -8.406 -6.167 -3.470 1.00 0.00 N ATOM 487 CA ASP A 117 -9.518 -7.017 -3.137 1.00 0.00 C ATOM 488 C ASP A 117 -10.460 -6.186 -2.313 1.00 0.00 C ATOM 489 O ASP A 117 -10.240 -5.993 -1.113 1.00 0.00 O ATOM 490 CB ASP A 117 -9.097 -8.250 -2.343 1.00 0.00 C ATOM 491 CG ASP A 117 -10.189 -9.294 -2.297 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.197 -9.122 -1.560 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.069 -10.313 -3.020 1.00 0.00 O ATOM 0 H ASP A 117 -7.828 -5.903 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.980 -7.385 -4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.202 -8.681 -2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.835 -7.955 -1.327 1.00 0.00 H new ATOM 498 N PHE A 118 -11.476 -5.651 -2.949 1.00 0.00 N ATOM 499 CA PHE A 118 -12.415 -4.753 -2.285 1.00 0.00 C ATOM 500 C PHE A 118 -13.154 -5.436 -1.145 1.00 0.00 C ATOM 501 O PHE A 118 -13.591 -4.777 -0.198 1.00 0.00 O ATOM 502 CB PHE A 118 -13.420 -4.165 -3.268 1.00 0.00 C ATOM 503 CG PHE A 118 -12.816 -3.294 -4.340 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.292 -2.048 -4.027 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.779 -3.716 -5.655 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.744 -1.245 -5.007 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.234 -2.919 -6.638 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.718 -1.682 -6.316 1.00 0.00 C ATOM 0 H PHE A 118 -11.681 -5.819 -3.934 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.816 -3.944 -1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.962 -4.982 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.152 -3.579 -2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.313 -1.702 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.183 -4.683 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.337 -0.278 -4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.211 -3.264 -7.661 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.294 -1.056 -7.087 1.00 0.00 H new ATOM 518 N LYS A 119 -13.277 -6.744 -1.221 1.00 0.00 N ATOM 519 CA LYS A 119 -13.967 -7.487 -0.201 1.00 0.00 C ATOM 520 C LYS A 119 -13.149 -7.591 1.076 1.00 0.00 C ATOM 521 O LYS A 119 -13.695 -7.451 2.178 1.00 0.00 O ATOM 522 CB LYS A 119 -14.374 -8.840 -0.722 1.00 0.00 C ATOM 523 CG LYS A 119 -15.425 -8.780 -1.816 1.00 0.00 C ATOM 524 CD LYS A 119 -16.745 -8.262 -1.278 1.00 0.00 C ATOM 525 CE LYS A 119 -17.849 -8.315 -2.314 1.00 0.00 C ATOM 526 NZ LYS A 119 -19.136 -7.853 -1.748 1.00 0.00 N ATOM 0 H LYS A 119 -12.905 -7.312 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.874 -6.941 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.492 -9.353 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.756 -9.438 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.079 -8.133 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.567 -9.773 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.037 -8.851 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.618 -7.234 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.580 -7.693 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.956 -9.335 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.874 -7.900 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.402 -8.462 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -19.038 -6.872 -1.418 1.00 0.00 H new ATOM 540 N ARG A 120 -11.842 -7.794 0.944 1.00 0.00 N ATOM 541 CA ARG A 120 -10.982 -7.857 2.138 1.00 0.00 C ATOM 542 C ARG A 120 -10.598 -6.443 2.539 1.00 0.00 C ATOM 543 O ARG A 120 -10.042 -6.221 3.609 1.00 0.00 O ATOM 544 CB ARG A 120 -9.658 -8.576 1.844 1.00 0.00 C ATOM 545 CG ARG A 120 -9.731 -9.948 1.228 1.00 0.00 C ATOM 546 CD ARG A 120 -8.319 -10.464 0.951 1.00 0.00 C ATOM 547 NE ARG A 120 -8.313 -11.694 0.150 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.236 -12.206 -0.476 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.041 -11.623 -0.376 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.364 -13.293 -1.228 1.00 0.00 N ATOM 0 H ARG A 120 -11.359 -7.915 0.054 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.539 -8.386 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.071 -7.941 1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.105 -8.657 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.253 -10.631 1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.303 -9.911 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.750 -9.693 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.812 -10.649 1.898 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.194 -12.201 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.932 -10.776 0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.236 -12.024 -0.857 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.276 -13.738 -1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.550 -13.683 -1.703 1.00 0.00 H new ATOM 564 N GLU A 121 -10.933 -5.491 1.659 1.00 0.00 N ATOM 565 CA GLU A 121 -10.558 -4.078 1.767 1.00 0.00 C ATOM 566 C GLU A 121 -9.022 -3.963 1.750 1.00 0.00 C ATOM 567 O GLU A 121 -8.431 -2.986 2.218 1.00 0.00 O ATOM 568 CB GLU A 121 -11.146 -3.439 3.031 1.00 0.00 C ATOM 569 CG GLU A 121 -11.038 -1.918 3.063 1.00 0.00 C ATOM 570 CD GLU A 121 -11.524 -1.331 4.341 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.746 -1.178 4.502 1.00 0.00 O ATOM 572 OE2 GLU A 121 -10.689 -0.984 5.205 1.00 0.00 O ATOM 0 H GLU A 121 -11.489 -5.690 0.828 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.970 -3.535 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.196 -3.721 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.637 -3.848 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -9.998 -1.629 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.612 -1.500 2.236 1.00 0.00 H new ATOM 579 N THR A 122 -8.382 -4.933 1.169 1.00 0.00 N ATOM 580 CA THR A 122 -6.967 -4.944 1.146 1.00 0.00 C ATOM 581 C THR A 122 -6.463 -4.992 -0.276 1.00 0.00 C ATOM 582 O THR A 122 -7.189 -5.367 -1.194 1.00 0.00 O ATOM 583 CB THR A 122 -6.380 -6.117 1.954 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.840 -7.363 1.422 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.751 -6.035 3.426 1.00 0.00 C ATOM 0 H THR A 122 -8.827 -5.725 0.706 1.00 0.00 H new ATOM 0 HA THR A 122 -6.632 -4.020 1.618 1.00 0.00 H new ATOM 0 HB THR A 122 -5.295 -6.053 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.268 -8.089 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.317 -6.881 3.958 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.367 -5.106 3.847 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.836 -6.059 3.530 1.00 0.00 H new ATOM 593 N CYS A 123 -5.253 -4.612 -0.454 1.00 0.00 N ATOM 594 CA CYS A 123 -4.636 -4.582 -1.725 1.00 0.00 C ATOM 595 C CYS A 123 -3.181 -4.910 -1.592 1.00 0.00 C ATOM 596 O CYS A 123 -2.588 -4.672 -0.554 1.00 0.00 O ATOM 597 CB CYS A 123 -4.818 -3.210 -2.325 1.00 0.00 C ATOM 598 SG CYS A 123 -4.320 -1.881 -1.224 1.00 0.00 S ATOM 0 H CYS A 123 -4.646 -4.304 0.305 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.095 -5.323 -2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.240 -3.145 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.865 -3.075 -2.595 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.235 -2.333 -0.008 1.00 0.00 H new ATOM 604 N VAL A 124 -2.620 -5.436 -2.624 1.00 0.00 N ATOM 605 CA VAL A 124 -1.238 -5.786 -2.632 1.00 0.00 C ATOM 606 C VAL A 124 -0.490 -4.646 -3.245 1.00 0.00 C ATOM 607 O VAL A 124 -0.874 -4.144 -4.316 1.00 0.00 O ATOM 608 CB VAL A 124 -0.980 -7.086 -3.446 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.502 -7.454 -3.463 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.794 -8.230 -2.881 1.00 0.00 C ATOM 0 H VAL A 124 -3.110 -5.638 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.905 -5.975 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.290 -6.899 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.643 -8.367 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.073 -6.645 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.849 -7.613 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.603 -9.133 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.511 -8.399 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.854 -7.983 -2.933 1.00 0.00 H new ATOM 620 N VAL A 125 0.543 -4.229 -2.590 1.00 0.00 N ATOM 621 CA VAL A 125 1.327 -3.136 -3.047 1.00 0.00 C ATOM 622 C VAL A 125 2.740 -3.608 -3.311 1.00 0.00 C ATOM 623 O VAL A 125 3.243 -4.523 -2.646 1.00 0.00 O ATOM 624 CB VAL A 125 1.359 -1.984 -1.992 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.039 -1.429 -1.736 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.000 -2.451 -0.676 1.00 0.00 C ATOM 0 H VAL A 125 0.867 -4.643 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 125 0.878 -2.753 -3.963 1.00 0.00 H new ATOM 0 HB VAL A 125 1.973 -1.183 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.017 -0.629 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.451 -1.036 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.683 -2.224 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.008 -1.627 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.425 -3.281 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.023 -2.777 -0.865 1.00 0.00 H new ATOM 636 N VAL A 126 3.342 -3.030 -4.303 1.00 0.00 N ATOM 637 CA VAL A 126 4.690 -3.336 -4.668 1.00 0.00 C ATOM 638 C VAL A 126 5.551 -2.156 -4.324 1.00 0.00 C ATOM 639 O VAL A 126 5.350 -1.059 -4.862 1.00 0.00 O ATOM 640 CB VAL A 126 4.841 -3.638 -6.181 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.306 -3.895 -6.528 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.994 -4.829 -6.582 1.00 0.00 C ATOM 0 H VAL A 126 2.904 -2.321 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 126 4.992 -4.230 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 126 4.494 -2.767 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.396 -4.106 -7.594 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.898 -3.014 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.671 -4.749 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.117 -5.021 -7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.309 -5.706 -6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.946 -4.618 -6.370 1.00 0.00 H new ATOM 652 N TYR A 127 6.485 -2.371 -3.454 1.00 0.00 N ATOM 653 CA TYR A 127 7.373 -1.332 -3.004 1.00 0.00 C ATOM 654 C TYR A 127 8.323 -0.921 -4.090 1.00 0.00 C ATOM 655 O TYR A 127 9.130 -1.732 -4.581 1.00 0.00 O ATOM 656 CB TYR A 127 8.126 -1.762 -1.771 1.00 0.00 C ATOM 657 CG TYR A 127 7.233 -1.991 -0.599 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.811 -0.927 0.167 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.807 -3.265 -0.256 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.994 -1.110 1.243 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.985 -3.463 0.814 1.00 0.00 C ATOM 662 CZ TYR A 127 5.579 -2.373 1.567 1.00 0.00 C ATOM 663 OH TYR A 127 4.748 -2.539 2.631 1.00 0.00 O ATOM 0 H TYR A 127 6.660 -3.281 -3.027 1.00 0.00 H new ATOM 0 HA TYR A 127 6.764 -0.466 -2.746 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.676 -2.678 -1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.863 -1.000 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.133 0.071 -0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.130 -4.111 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.677 -0.264 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.654 -4.458 1.072 1.00 0.00 H new ATOM 0 HH TYR A 127 4.906 -3.418 3.036 1.00 0.00 H new ATOM 673 N THR A 128 8.221 0.317 -4.453 1.00 0.00 N ATOM 674 CA THR A 128 8.993 0.891 -5.498 1.00 0.00 C ATOM 675 C THR A 128 10.473 0.915 -5.110 1.00 0.00 C ATOM 676 O THR A 128 10.825 1.295 -3.987 1.00 0.00 O ATOM 677 CB THR A 128 8.502 2.321 -5.751 1.00 0.00 C ATOM 678 OG1 THR A 128 7.065 2.304 -5.917 1.00 0.00 O ATOM 679 CG2 THR A 128 9.151 2.878 -6.995 1.00 0.00 C ATOM 0 H THR A 128 7.576 0.974 -4.014 1.00 0.00 H new ATOM 0 HA THR A 128 8.880 0.294 -6.403 1.00 0.00 H new ATOM 0 HB THR A 128 8.768 2.952 -4.903 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.743 3.216 -6.078 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.796 3.894 -7.167 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.233 2.888 -6.867 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.893 2.254 -7.851 1.00 0.00 H new ATOM 687 N GLY A 129 11.320 0.459 -6.013 1.00 0.00 N ATOM 688 CA GLY A 129 12.743 0.463 -5.769 1.00 0.00 C ATOM 689 C GLY A 129 13.213 -0.822 -5.135 1.00 0.00 C ATOM 690 O GLY A 129 14.418 -1.119 -5.119 1.00 0.00 O ATOM 0 H GLY A 129 11.044 0.082 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.271 0.617 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.997 1.301 -5.120 1.00 0.00 H new ATOM 694 N TYR A 130 12.280 -1.571 -4.588 1.00 0.00 N ATOM 695 CA TYR A 130 12.596 -2.831 -3.968 1.00 0.00 C ATOM 696 C TYR A 130 12.043 -3.981 -4.781 1.00 0.00 C ATOM 697 O TYR A 130 12.747 -4.942 -5.075 1.00 0.00 O ATOM 698 CB TYR A 130 12.048 -2.885 -2.552 1.00 0.00 C ATOM 699 CG TYR A 130 12.519 -1.750 -1.684 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.792 -1.745 -1.141 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.688 -0.680 -1.415 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.220 -0.701 -0.349 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.102 0.365 -0.631 1.00 0.00 C ATOM 704 CZ TYR A 130 13.367 0.351 -0.098 1.00 0.00 C ATOM 705 OH TYR A 130 13.787 1.402 0.682 1.00 0.00 O ATOM 0 H TYR A 130 11.291 -1.323 -4.562 1.00 0.00 H new ATOM 0 HA TYR A 130 13.681 -2.923 -3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.959 -2.874 -2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.341 -3.829 -2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.459 -2.570 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.691 -0.667 -1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.215 -0.708 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.438 1.194 -0.434 1.00 0.00 H new ATOM 0 HH TYR A 130 13.200 1.486 1.462 1.00 0.00 H new ATOM 715 N GLY A 131 10.785 -3.887 -5.138 1.00 0.00 N ATOM 716 CA GLY A 131 10.158 -4.930 -5.908 1.00 0.00 C ATOM 717 C GLY A 131 9.390 -5.899 -5.042 1.00 0.00 C ATOM 718 O GLY A 131 8.869 -6.904 -5.530 1.00 0.00 O ATOM 0 H GLY A 131 10.178 -3.100 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.482 -4.484 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.919 -5.472 -6.469 1.00 0.00 H new ATOM 722 N ASN A 132 9.326 -5.600 -3.766 1.00 0.00 N ATOM 723 CA ASN A 132 8.587 -6.427 -2.806 1.00 0.00 C ATOM 724 C ASN A 132 7.119 -6.185 -2.927 1.00 0.00 C ATOM 725 O ASN A 132 6.703 -5.114 -3.339 1.00 0.00 O ATOM 726 CB ASN A 132 8.977 -6.113 -1.373 1.00 0.00 C ATOM 727 CG ASN A 132 10.258 -6.731 -0.902 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.189 -6.995 -1.675 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.330 -6.943 0.375 1.00 0.00 N ATOM 0 H ASN A 132 9.778 -4.784 -3.353 1.00 0.00 H new ATOM 0 HA ASN A 132 8.834 -7.463 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.055 -5.031 -1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.172 -6.442 -0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.177 -7.342 0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.539 -6.711 0.976 1.00 0.00 H new ATOM 736 N ARG A 133 6.341 -7.146 -2.542 1.00 0.00 N ATOM 737 CA ARG A 133 4.922 -7.018 -2.578 1.00 0.00 C ATOM 738 C ARG A 133 4.309 -7.569 -1.302 1.00 0.00 C ATOM 739 O ARG A 133 4.740 -8.613 -0.803 1.00 0.00 O ATOM 740 CB ARG A 133 4.344 -7.662 -3.870 1.00 0.00 C ATOM 741 CG ARG A 133 4.678 -9.143 -4.110 1.00 0.00 C ATOM 742 CD ARG A 133 3.795 -10.089 -3.305 1.00 0.00 C ATOM 743 NE ARG A 133 4.151 -11.488 -3.539 1.00 0.00 N ATOM 744 CZ ARG A 133 3.802 -12.518 -2.760 1.00 0.00 C ATOM 745 NH1 ARG A 133 3.120 -12.315 -1.641 1.00 0.00 N ATOM 746 NH2 ARG A 133 4.151 -13.743 -3.103 1.00 0.00 N ATOM 0 H ARG A 133 6.675 -8.044 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 133 4.654 -5.962 -2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.259 -7.557 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.702 -7.089 -4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.569 -9.367 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.722 -9.321 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.890 -9.861 -2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.751 -9.929 -3.573 1.00 0.00 H new ATOM 0 HE ARG A 133 4.712 -11.696 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.857 -11.368 -1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.858 -13.106 -1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.684 -13.901 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.888 -14.532 -2.513 1.00 0.00 H new ATOM 760 N GLU A 134 3.365 -6.859 -0.760 1.00 0.00 N ATOM 761 CA GLU A 134 2.653 -7.290 0.429 1.00 0.00 C ATOM 762 C GLU A 134 1.276 -6.657 0.420 1.00 0.00 C ATOM 763 O GLU A 134 1.044 -5.697 -0.323 1.00 0.00 O ATOM 764 CB GLU A 134 3.389 -7.005 1.742 1.00 0.00 C ATOM 765 CG GLU A 134 3.207 -5.627 2.265 1.00 0.00 C ATOM 766 CD GLU A 134 3.728 -5.454 3.665 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.057 -5.910 4.605 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.815 -4.870 3.857 1.00 0.00 O ATOM 0 H GLU A 134 3.058 -5.957 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 134 2.578 -8.377 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.048 -7.714 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.454 -7.186 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.715 -4.924 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.147 -5.374 2.244 1.00 0.00 H new ATOM 775 N GLU A 135 0.369 -7.237 1.142 1.00 0.00 N ATOM 776 CA GLU A 135 -0.995 -6.801 1.156 1.00 0.00 C ATOM 777 C GLU A 135 -1.288 -5.865 2.340 1.00 0.00 C ATOM 778 O GLU A 135 -1.025 -6.192 3.508 1.00 0.00 O ATOM 779 CB GLU A 135 -1.890 -7.994 1.220 1.00 0.00 C ATOM 780 CG GLU A 135 -3.292 -7.702 0.784 1.00 0.00 C ATOM 781 CD GLU A 135 -4.163 -8.918 0.741 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.141 -9.628 -0.267 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.920 -9.162 1.689 1.00 0.00 O ATOM 0 H GLU A 135 0.556 -8.037 1.747 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.180 -6.238 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.478 -8.784 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.906 -8.374 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.732 -6.972 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.270 -7.244 -0.205 1.00 0.00 H new ATOM 790 N GLN A 136 -1.875 -4.747 2.021 1.00 0.00 N ATOM 791 CA GLN A 136 -2.236 -3.684 2.961 1.00 0.00 C ATOM 792 C GLN A 136 -3.668 -3.320 2.792 1.00 0.00 C ATOM 793 O GLN A 136 -4.258 -3.633 1.785 1.00 0.00 O ATOM 794 CB GLN A 136 -1.395 -2.406 2.772 1.00 0.00 C ATOM 795 CG GLN A 136 -0.135 -2.371 3.589 1.00 0.00 C ATOM 796 CD GLN A 136 1.021 -2.992 2.897 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.863 -3.814 2.044 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.182 -2.679 3.342 1.00 0.00 N ATOM 0 H GLN A 136 -2.133 -4.526 1.059 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.042 -4.079 3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.134 -2.309 1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.006 -1.541 3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.106 -1.336 3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.306 -2.887 4.534 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.275 -1.972 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.013 -3.137 2.967 1.00 0.00 H new ATOM 807 N ASN A 137 -4.226 -2.642 3.756 1.00 0.00 N ATOM 808 CA ASN A 137 -5.614 -2.226 3.656 1.00 0.00 C ATOM 809 C ASN A 137 -5.698 -0.974 2.842 1.00 0.00 C ATOM 810 O ASN A 137 -4.810 -0.131 2.910 1.00 0.00 O ATOM 811 CB ASN A 137 -6.253 -1.944 5.017 1.00 0.00 C ATOM 812 CG ASN A 137 -6.205 -3.094 5.973 1.00 0.00 C ATOM 813 OD1 ASN A 137 -7.113 -3.909 6.013 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.166 -3.159 6.755 1.00 0.00 N ATOM 0 H ASN A 137 -3.754 -2.363 4.616 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.154 -3.051 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.751 -1.089 5.470 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.294 -1.658 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.087 -3.914 7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.431 -2.455 6.686 1.00 0.00 H new ATOM 821 N LEU A 138 -6.764 -0.842 2.106 1.00 0.00 N ATOM 822 CA LEU A 138 -7.043 0.347 1.288 1.00 0.00 C ATOM 823 C LEU A 138 -7.110 1.585 2.183 1.00 0.00 C ATOM 824 O LEU A 138 -6.703 2.681 1.811 1.00 0.00 O ATOM 825 CB LEU A 138 -8.386 0.161 0.575 1.00 0.00 C ATOM 826 CG LEU A 138 -8.478 -1.024 -0.381 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.914 -1.249 -0.797 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.628 -0.777 -1.604 1.00 0.00 C ATOM 0 H LEU A 138 -7.487 -1.558 2.043 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.249 0.478 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.164 0.054 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.607 1.071 0.017 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.112 -1.912 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.966 -2.097 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.520 -1.455 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.292 -0.357 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.703 -1.631 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.977 0.120 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.589 -0.642 -1.304 1.00 0.00 H new ATOM 840 N SER A 139 -7.613 1.383 3.366 1.00 0.00 N ATOM 841 CA SER A 139 -7.738 2.377 4.335 1.00 0.00 C ATOM 842 C SER A 139 -6.409 2.693 5.021 1.00 0.00 C ATOM 843 O SER A 139 -6.238 3.756 5.587 1.00 0.00 O ATOM 844 CB SER A 139 -8.700 1.845 5.323 1.00 0.00 C ATOM 845 OG SER A 139 -9.938 1.542 4.704 1.00 0.00 O ATOM 0 H SER A 139 -7.956 0.473 3.673 1.00 0.00 H new ATOM 0 HA SER A 139 -8.070 3.310 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.292 0.948 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.854 2.575 6.118 1.00 0.00 H new ATOM 0 HG SER A 139 -10.355 0.783 5.162 1.00 0.00 H new ATOM 851 N ASP A 140 -5.480 1.778 4.942 1.00 0.00 N ATOM 852 CA ASP A 140 -4.201 1.927 5.642 1.00 0.00 C ATOM 853 C ASP A 140 -3.225 2.617 4.771 1.00 0.00 C ATOM 854 O ASP A 140 -2.322 3.258 5.254 1.00 0.00 O ATOM 855 CB ASP A 140 -3.634 0.582 6.002 1.00 0.00 C ATOM 856 CG ASP A 140 -2.717 0.628 7.202 1.00 0.00 C ATOM 857 OD1 ASP A 140 -3.194 0.972 8.304 1.00 0.00 O ATOM 858 OD2 ASP A 140 -1.539 0.237 7.093 1.00 0.00 O ATOM 0 H ASP A 140 -5.571 0.916 4.404 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.381 2.507 6.547 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.453 -0.109 6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.085 0.185 5.148 1.00 0.00 H new ATOM 863 N LEU A 141 -3.414 2.444 3.480 1.00 0.00 N ATOM 864 CA LEU A 141 -2.560 3.052 2.453 1.00 0.00 C ATOM 865 C LEU A 141 -2.420 4.535 2.652 1.00 0.00 C ATOM 866 O LEU A 141 -3.393 5.235 2.945 1.00 0.00 O ATOM 867 CB LEU A 141 -3.092 2.806 1.050 1.00 0.00 C ATOM 868 CG LEU A 141 -3.163 1.372 0.564 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.649 1.351 -0.868 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.811 0.710 0.672 1.00 0.00 C ATOM 0 H LEU A 141 -4.169 1.874 3.099 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.586 2.575 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.095 3.229 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.469 3.366 0.352 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.863 0.816 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.701 0.321 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.639 1.803 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.958 1.914 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.880 -0.319 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.089 1.255 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.485 0.715 1.712 1.00 0.00 H new ATOM 882 N LEU A 142 -1.235 5.012 2.489 1.00 0.00 N ATOM 883 CA LEU A 142 -0.983 6.400 2.668 1.00 0.00 C ATOM 884 C LEU A 142 -0.662 7.034 1.354 1.00 0.00 C ATOM 885 O LEU A 142 -0.340 6.333 0.385 1.00 0.00 O ATOM 886 CB LEU A 142 0.142 6.672 3.681 1.00 0.00 C ATOM 887 CG LEU A 142 -0.062 6.136 5.105 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.319 4.657 5.225 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.672 6.996 6.119 1.00 0.00 C ATOM 0 H LEU A 142 -0.419 4.457 2.230 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.891 6.843 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.064 6.245 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.290 7.750 3.742 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.127 6.198 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.158 4.322 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.299 4.066 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.369 4.529 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.512 6.595 7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.738 6.994 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.293 8.017 6.072 1.00 0.00 H new ATOM 901 N SER A 143 -0.756 8.338 1.314 1.00 0.00 N ATOM 902 CA SER A 143 -0.453 9.106 0.184 1.00 0.00 C ATOM 903 C SER A 143 1.039 8.927 -0.171 1.00 0.00 C ATOM 904 O SER A 143 1.895 8.860 0.736 1.00 0.00 O ATOM 905 CB SER A 143 -0.744 10.521 0.591 1.00 0.00 C ATOM 906 OG SER A 143 -2.006 10.587 1.259 1.00 0.00 O ATOM 0 H SER A 143 -1.060 8.895 2.112 1.00 0.00 H new ATOM 0 HA SER A 143 -1.029 8.818 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 143 0.044 10.889 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.754 11.166 -0.287 1.00 0.00 H new ATOM 0 HG SER A 143 -2.188 11.513 1.523 1.00 0.00 H new ATOM 912 N PRO A 144 1.369 8.816 -1.472 1.00 0.00 N ATOM 913 CA PRO A 144 2.734 8.565 -1.918 1.00 0.00 C ATOM 914 C PRO A 144 3.662 9.734 -1.656 1.00 0.00 C ATOM 915 O PRO A 144 3.228 10.848 -1.304 1.00 0.00 O ATOM 916 CB PRO A 144 2.598 8.314 -3.418 1.00 0.00 C ATOM 917 CG PRO A 144 1.358 9.025 -3.802 1.00 0.00 C ATOM 918 CD PRO A 144 0.443 8.950 -2.612 1.00 0.00 C ATOM 0 HA PRO A 144 3.177 7.729 -1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 144 3.460 8.697 -3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 144 2.529 7.249 -3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 144 1.570 10.061 -4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 144 0.899 8.562 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.175 9.844 -2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.235 8.099 -2.680 1.00 0.00 H new ATOM 926 N ILE A 145 4.912 9.487 -1.837 1.00 0.00 N ATOM 927 CA ILE A 145 5.936 10.465 -1.603 1.00 0.00 C ATOM 928 C ILE A 145 6.542 10.878 -2.925 1.00 0.00 C ATOM 929 O ILE A 145 5.963 10.604 -3.987 1.00 0.00 O ATOM 930 CB ILE A 145 7.048 9.901 -0.667 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.671 8.619 -1.259 1.00 0.00 C ATOM 932 CG2 ILE A 145 6.486 9.643 0.729 1.00 0.00 C ATOM 933 CD1 ILE A 145 8.835 8.072 -0.459 1.00 0.00 C ATOM 0 H ILE A 145 5.266 8.586 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 145 5.487 11.329 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 145 7.840 10.646 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.900 7.852 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 145 8.008 8.827 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.274 9.249 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.109 10.576 1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 145 5.674 8.919 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 145 9.216 7.172 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.626 8.820 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.501 7.830 0.550 1.00 0.00 H new ATOM 945 N CYS A 146 7.658 11.561 -2.852 1.00 0.00 N ATOM 946 CA CYS A 146 8.418 11.970 -4.003 1.00 0.00 C ATOM 947 C CYS A 146 8.740 10.773 -4.896 1.00 0.00 C ATOM 948 O CYS A 146 9.113 9.687 -4.388 1.00 0.00 O ATOM 949 CB CYS A 146 9.689 12.681 -3.532 1.00 0.00 C ATOM 950 SG CYS A 146 10.610 11.785 -2.254 1.00 0.00 S ATOM 0 H CYS A 146 8.072 11.854 -1.967 1.00 0.00 H new ATOM 0 HA CYS A 146 7.829 12.663 -4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 146 10.342 12.841 -4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 146 9.420 13.665 -3.148 1.00 0.00 H new ATOM 0 HG CYS A 146 11.668 12.465 -1.924 1.00 0.00 H new ATOM 956 N GLU A 147 8.575 10.980 -6.201 1.00 0.00 N ATOM 957 CA GLU A 147 8.779 9.973 -7.233 1.00 0.00 C ATOM 958 C GLU A 147 7.632 8.985 -7.258 1.00 0.00 C ATOM 959 O GLU A 147 7.741 7.885 -6.693 1.00 0.00 O ATOM 960 CB GLU A 147 10.143 9.276 -7.121 1.00 0.00 C ATOM 961 CG GLU A 147 11.317 10.218 -7.270 1.00 0.00 C ATOM 962 CD GLU A 147 11.306 10.914 -8.596 1.00 0.00 C ATOM 963 OE1 GLU A 147 11.730 10.314 -9.591 1.00 0.00 O ATOM 964 OE2 GLU A 147 10.857 12.078 -8.680 1.00 0.00 O ATOM 965 OXT GLU A 147 6.588 9.324 -7.848 1.00 0.00 O ATOM 0 H GLU A 147 8.286 11.883 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 147 8.791 10.493 -8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.209 8.777 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 147 10.210 8.501 -7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 147 11.293 10.958 -6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 147 12.247 9.660 -7.160 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.722 -1.509 1.940 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.082 -3.586 0.630 1.00 0.00 C HETATM 975 N DA2 A1148 13.923 -7.673 -1.376 1.00 0.00 N HETATM 976 CA DA2 A1148 14.396 -7.228 -0.068 1.00 0.00 C HETATM 977 CB DA2 A1148 14.025 -5.761 0.162 1.00 0.00 C HETATM 978 CG DA2 A1148 14.311 -5.254 1.570 1.00 0.00 C HETATM 979 CD DA2 A1148 13.980 -3.790 1.697 1.00 0.00 C HETATM 980 NE DA2 A1148 12.590 -3.556 1.418 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.848 -2.577 1.872 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.323 -1.657 2.677 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.604 -2.545 1.494 1.00 0.00 N HETATM 984 C DA2 A1148 13.782 -8.111 0.989 1.00 0.00 C HETATM 985 O DA2 A1148 14.512 -8.762 1.729 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.556 -8.209 1.036 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.186 -1.948 3.645 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.727 -5.826 2.291 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.362 -5.415 1.811 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.217 -3.445 2.703 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.596 -3.212 1.008 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.572 -5.144 -0.551 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 12.964 -5.629 -0.050 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.277 -4.113 1.141 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.698 -3.139 -0.287 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.878 -4.289 0.386 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.323 -0.975 1.078 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.901 -1.949 2.506 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.270 -0.814 2.576 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.132 -4.225 0.799 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 14.093 -8.632 -1.681 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.423 -7.025 -1.985 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.482 -7.304 -0.018 1.00 0.00 H new