USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -140:sc= -1.07 USER MOD Single : A 27 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.56) USER MOD Single : A 28 HIS : no HD1:sc= 0.119 K(o=0.12,f=-1) USER MOD Single : A 29 SER OG : rot 63:sc= 1.06 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -58:sc= 1.12 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 44 THR OG1 : rot -132:sc= -2.29! USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.635 (180deg=-1.41) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -173:sc= -5.76! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= -0.208 (180deg=-0.801) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -6.899 6.932 9.769 1.00 0.00 N ATOM 2 CA GLY A 17 -6.308 7.500 8.571 1.00 0.00 C ATOM 3 C GLY A 17 -5.630 6.455 7.702 1.00 0.00 C ATOM 4 O GLY A 17 -4.784 6.784 6.871 1.00 0.00 O ATOM 0 HA2 GLY A 17 -7.083 8.002 7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.579 8.259 8.855 1.00 0.00 H new ATOM 8 N LEU A 18 -6.002 5.193 7.896 1.00 0.00 N ATOM 9 CA LEU A 18 -5.426 4.093 7.129 1.00 0.00 C ATOM 10 C LEU A 18 -6.020 4.039 5.721 1.00 0.00 C ATOM 11 O LEU A 18 -6.779 3.110 5.384 1.00 0.00 O ATOM 12 CB LEU A 18 -5.673 2.773 7.862 1.00 0.00 C ATOM 13 CG LEU A 18 -4.860 2.590 9.149 1.00 0.00 C ATOM 14 CD1 LEU A 18 -5.764 2.665 10.370 1.00 0.00 C ATOM 15 CD2 LEU A 18 -4.103 1.269 9.126 1.00 0.00 C ATOM 0 H LEU A 18 -6.702 4.906 8.580 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.353 4.257 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.733 2.702 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.445 1.950 7.185 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.133 3.400 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.168 2.533 11.273 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.256 3.637 10.399 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.517 1.879 10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.533 1.160 10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.811 0.445 9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.422 1.255 8.275 1.00 0.00 H new ATOM 27 N MET A 19 -5.645 5.022 4.892 1.00 0.00 N ATOM 28 CA MET A 19 -6.123 5.089 3.511 1.00 0.00 C ATOM 29 C MET A 19 -4.985 4.726 2.587 1.00 0.00 C ATOM 30 O MET A 19 -3.883 5.272 2.716 1.00 0.00 O ATOM 31 CB MET A 19 -6.650 6.490 3.187 1.00 0.00 C ATOM 32 CG MET A 19 -8.087 6.497 2.691 1.00 0.00 C ATOM 33 SD MET A 19 -8.740 8.165 2.477 1.00 0.00 S ATOM 34 CE MET A 19 -10.374 7.809 1.838 1.00 0.00 C ATOM 0 H MET A 19 -5.014 5.778 5.156 1.00 0.00 H new ATOM 0 HA MET A 19 -6.946 4.387 3.376 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.579 7.112 4.079 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.010 6.944 2.430 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.142 5.965 1.741 1.00 0.00 H new ATOM 0 HG3 MET A 19 -8.714 5.953 3.398 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.904 8.743 1.655 1.00 0.00 H new ATOM 0 HE2 MET A 19 -10.286 7.252 0.905 1.00 0.00 H new ATOM 0 HE3 MET A 19 -10.927 7.214 2.565 1.00 0.00 H new ATOM 44 N VAL A 20 -5.198 3.778 1.692 1.00 0.00 N ATOM 45 CA VAL A 20 -4.125 3.345 0.827 1.00 0.00 C ATOM 46 C VAL A 20 -4.592 3.003 -0.580 1.00 0.00 C ATOM 47 O VAL A 20 -5.789 2.940 -0.858 1.00 0.00 O ATOM 48 CB VAL A 20 -3.459 2.097 1.445 1.00 0.00 C ATOM 49 CG1 VAL A 20 -3.246 2.283 2.941 1.00 0.00 C ATOM 50 CG2 VAL A 20 -4.288 0.844 1.187 1.00 0.00 C ATOM 0 H VAL A 20 -6.089 3.303 1.549 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.425 4.176 0.743 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.488 1.971 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.776 1.391 3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.602 3.146 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.208 2.445 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.793 -0.018 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.277 0.965 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.387 0.688 0.113 1.00 0.00 H new ATOM 60 N GLU A 21 -3.632 2.694 -1.434 1.00 0.00 N ATOM 61 CA GLU A 21 -3.905 2.228 -2.788 1.00 0.00 C ATOM 62 C GLU A 21 -3.278 0.849 -2.841 1.00 0.00 C ATOM 63 O GLU A 21 -2.098 0.708 -2.519 1.00 0.00 O ATOM 64 CB GLU A 21 -3.297 3.156 -3.847 1.00 0.00 C ATOM 65 CG GLU A 21 -2.972 2.468 -5.166 1.00 0.00 C ATOM 66 CD GLU A 21 -3.137 3.389 -6.359 1.00 0.00 C ATOM 67 OE1 GLU A 21 -3.122 4.623 -6.164 1.00 0.00 O ATOM 68 OE2 GLU A 21 -3.282 2.875 -7.489 1.00 0.00 O ATOM 0 H GLU A 21 -2.639 2.758 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.973 2.212 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.991 3.975 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.385 3.598 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.947 2.098 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.620 1.600 -5.289 1.00 0.00 H new ATOM 75 N VAL A 22 -4.045 -0.185 -3.157 1.00 0.00 N ATOM 76 CA VAL A 22 -3.471 -1.525 -3.101 1.00 0.00 C ATOM 77 C VAL A 22 -3.692 -2.405 -4.310 1.00 0.00 C ATOM 78 O VAL A 22 -4.770 -2.434 -4.903 1.00 0.00 O ATOM 79 CB VAL A 22 -4.045 -2.273 -1.893 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.417 -3.655 -1.756 1.00 0.00 C ATOM 81 CG2 VAL A 22 -3.847 -1.458 -0.629 1.00 0.00 C ATOM 0 H VAL A 22 -5.023 -0.132 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.397 -1.347 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.115 -2.411 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.842 -4.164 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.619 -4.237 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.340 -3.554 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.259 -2.000 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.782 -1.287 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.357 -0.500 -0.730 1.00 0.00 H new ATOM 91 N VAL A 23 -2.667 -3.214 -4.575 1.00 0.00 N ATOM 92 CA VAL A 23 -2.723 -4.220 -5.607 1.00 0.00 C ATOM 93 C VAL A 23 -2.384 -5.567 -4.958 1.00 0.00 C ATOM 94 O VAL A 23 -1.298 -5.765 -4.413 1.00 0.00 O ATOM 95 CB VAL A 23 -1.730 -3.931 -6.749 1.00 0.00 C ATOM 96 CG1 VAL A 23 -1.892 -4.947 -7.867 1.00 0.00 C ATOM 97 CG2 VAL A 23 -1.917 -2.514 -7.270 1.00 0.00 C ATOM 0 H VAL A 23 -1.779 -3.182 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.721 -4.227 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.716 -4.018 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.182 -4.727 -8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.703 -5.948 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.907 -4.896 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.208 -2.326 -8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.933 -2.396 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.744 -1.803 -6.462 1.00 0.00 H new ATOM 107 N GLU A 24 -3.328 -6.480 -5.034 1.00 0.00 N ATOM 108 CA GLU A 24 -3.195 -7.811 -4.465 1.00 0.00 C ATOM 109 C GLU A 24 -3.934 -8.839 -5.316 1.00 0.00 C ATOM 110 O GLU A 24 -4.603 -8.493 -6.300 1.00 0.00 O ATOM 111 CB GLU A 24 -3.746 -7.824 -3.036 1.00 0.00 C ATOM 112 CG GLU A 24 -5.044 -7.050 -2.875 1.00 0.00 C ATOM 113 CD GLU A 24 -5.407 -6.819 -1.422 1.00 0.00 C ATOM 114 OE1 GLU A 24 -4.492 -6.540 -0.618 1.00 0.00 O ATOM 115 OE2 GLU A 24 -6.606 -6.916 -1.087 1.00 0.00 O ATOM 0 H GLU A 24 -4.222 -6.320 -5.498 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.138 -8.075 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.909 -8.857 -2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.998 -7.405 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.955 -6.089 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.851 -7.595 -3.365 1.00 0.00 H new ATOM 122 N SER A 25 -3.817 -10.104 -4.932 1.00 0.00 N ATOM 123 CA SER A 25 -4.483 -11.185 -5.650 1.00 0.00 C ATOM 124 C SER A 25 -3.863 -11.403 -7.030 1.00 0.00 C ATOM 125 O SER A 25 -4.179 -10.685 -7.978 1.00 0.00 O ATOM 126 CB SER A 25 -5.981 -10.880 -5.796 1.00 0.00 C ATOM 127 OG SER A 25 -6.400 -9.898 -4.862 1.00 0.00 O ATOM 0 H SER A 25 -3.268 -10.407 -4.128 1.00 0.00 H new ATOM 0 HA SER A 25 -4.353 -12.099 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.187 -10.533 -6.809 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.557 -11.794 -5.649 1.00 0.00 H new ATOM 0 HG SER A 25 -7.282 -10.138 -4.509 1.00 0.00 H new ATOM 133 N PRO A 26 -2.982 -12.412 -7.167 1.00 0.00 N ATOM 134 CA PRO A 26 -2.338 -12.724 -8.450 1.00 0.00 C ATOM 135 C PRO A 26 -3.365 -13.055 -9.530 1.00 0.00 C ATOM 136 O PRO A 26 -3.061 -13.026 -10.723 1.00 0.00 O ATOM 137 CB PRO A 26 -1.477 -13.955 -8.137 1.00 0.00 C ATOM 138 CG PRO A 26 -1.302 -13.941 -6.657 1.00 0.00 C ATOM 139 CD PRO A 26 -2.557 -13.333 -6.100 1.00 0.00 C ATOM 0 HA PRO A 26 -1.764 -11.882 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.965 -14.872 -8.467 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.516 -13.904 -8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.152 -14.950 -6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.426 -13.358 -6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.315 -14.089 -5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.369 -12.807 -5.164 1.00 0.00 H new ATOM 147 N ASN A 27 -4.585 -13.366 -9.090 1.00 0.00 N ATOM 148 CA ASN A 27 -5.691 -13.705 -9.983 1.00 0.00 C ATOM 149 C ASN A 27 -5.669 -12.877 -11.267 1.00 0.00 C ATOM 150 O ASN A 27 -5.194 -11.742 -11.275 1.00 0.00 O ATOM 151 CB ASN A 27 -7.015 -13.475 -9.251 1.00 0.00 C ATOM 152 CG ASN A 27 -7.920 -14.690 -9.292 1.00 0.00 C ATOM 153 OD1 ASN A 27 -7.455 -15.829 -9.227 1.00 0.00 O ATOM 154 ND2 ASN A 27 -9.223 -14.455 -9.402 1.00 0.00 N ATOM 0 H ASN A 27 -4.833 -13.390 -8.101 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.584 -14.752 -10.265 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.812 -13.213 -8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.531 -12.626 -9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.881 -15.234 -9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.566 -13.496 -9.453 1.00 0.00 H new ATOM 161 N HIS A 28 -6.202 -13.448 -12.347 1.00 0.00 N ATOM 162 CA HIS A 28 -6.258 -12.750 -13.628 1.00 0.00 C ATOM 163 C HIS A 28 -6.928 -11.394 -13.443 1.00 0.00 C ATOM 164 O HIS A 28 -6.371 -10.356 -13.799 1.00 0.00 O ATOM 165 CB HIS A 28 -7.023 -13.583 -14.658 1.00 0.00 C ATOM 166 CG HIS A 28 -6.406 -14.922 -14.923 1.00 0.00 C ATOM 167 ND1 HIS A 28 -6.565 -16.004 -14.081 1.00 0.00 N ATOM 168 CD2 HIS A 28 -5.624 -15.352 -15.942 1.00 0.00 C ATOM 169 CE1 HIS A 28 -5.907 -17.041 -14.571 1.00 0.00 C ATOM 170 NE2 HIS A 28 -5.329 -16.671 -15.699 1.00 0.00 N ATOM 0 H HIS A 28 -6.599 -14.387 -12.359 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.243 -12.600 -13.995 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.046 -13.726 -14.310 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.079 -13.027 -15.594 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.294 -14.767 -16.788 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.852 -18.023 -14.125 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.756 -17.269 -16.294 1.00 0.00 H new ATOM 179 N SER A 29 -8.116 -11.417 -12.850 1.00 0.00 N ATOM 180 CA SER A 29 -8.859 -10.196 -12.572 1.00 0.00 C ATOM 181 C SER A 29 -8.559 -9.746 -11.148 1.00 0.00 C ATOM 182 O SER A 29 -9.464 -9.551 -10.337 1.00 0.00 O ATOM 183 CB SER A 29 -10.361 -10.426 -12.752 1.00 0.00 C ATOM 184 OG SER A 29 -10.899 -11.160 -11.668 1.00 0.00 O ATOM 0 H SER A 29 -8.586 -12.272 -12.552 1.00 0.00 H new ATOM 0 HA SER A 29 -8.552 -9.420 -13.273 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.871 -9.466 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.540 -10.963 -13.683 1.00 0.00 H new ATOM 0 HG SER A 29 -10.800 -10.643 -10.842 1.00 0.00 H new ATOM 190 N GLU A 30 -7.267 -9.615 -10.855 1.00 0.00 N ATOM 191 CA GLU A 30 -6.796 -9.220 -9.532 1.00 0.00 C ATOM 192 C GLU A 30 -7.622 -8.084 -8.936 1.00 0.00 C ATOM 193 O GLU A 30 -8.455 -7.476 -9.609 1.00 0.00 O ATOM 194 CB GLU A 30 -5.325 -8.807 -9.602 1.00 0.00 C ATOM 195 CG GLU A 30 -5.055 -7.687 -10.594 1.00 0.00 C ATOM 196 CD GLU A 30 -5.115 -6.315 -9.953 1.00 0.00 C ATOM 197 OE1 GLU A 30 -4.442 -6.113 -8.920 1.00 0.00 O ATOM 198 OE2 GLU A 30 -5.836 -5.444 -10.483 1.00 0.00 O ATOM 0 H GLU A 30 -6.519 -9.780 -11.528 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.909 -10.085 -8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.997 -8.491 -8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.725 -9.675 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.072 -7.832 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.784 -7.739 -11.402 1.00 0.00 H new ATOM 205 N VAL A 31 -7.363 -7.802 -7.666 1.00 0.00 N ATOM 206 CA VAL A 31 -8.055 -6.740 -6.947 1.00 0.00 C ATOM 207 C VAL A 31 -7.093 -5.602 -6.676 1.00 0.00 C ATOM 208 O VAL A 31 -6.359 -5.621 -5.668 1.00 0.00 O ATOM 209 CB VAL A 31 -8.595 -7.241 -5.601 1.00 0.00 C ATOM 210 CG1 VAL A 31 -9.505 -6.208 -4.963 1.00 0.00 C ATOM 211 CG2 VAL A 31 -9.311 -8.577 -5.757 1.00 0.00 C ATOM 0 H VAL A 31 -6.670 -8.300 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.888 -6.406 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.744 -7.396 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.874 -6.587 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.948 -5.286 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.347 -6.007 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.682 -8.906 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.148 -8.463 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.616 -9.319 -6.150 1.00 0.00 H new ATOM 221 N GLY A 32 -7.153 -4.565 -7.486 1.00 0.00 N ATOM 222 CA GLY A 32 -6.329 -3.419 -7.252 1.00 0.00 C ATOM 223 C GLY A 32 -7.194 -2.209 -7.361 1.00 0.00 C ATOM 224 O GLY A 32 -7.679 -1.857 -8.419 1.00 0.00 O ATOM 0 H GLY A 32 -7.761 -4.501 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.870 -3.473 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.518 -3.376 -7.979 1.00 0.00 H new ATOM 228 N ILE A 33 -7.344 -1.521 -6.285 1.00 0.00 N ATOM 229 CA ILE A 33 -8.152 -0.352 -6.303 1.00 0.00 C ATOM 230 C ILE A 33 -7.840 0.537 -5.140 1.00 0.00 C ATOM 231 O ILE A 33 -6.946 0.261 -4.330 1.00 0.00 O ATOM 232 CB ILE A 33 -9.652 -0.743 -6.404 1.00 0.00 C ATOM 233 CG1 ILE A 33 -10.100 -0.492 -7.837 1.00 0.00 C ATOM 234 CG2 ILE A 33 -10.553 -0.033 -5.393 1.00 0.00 C ATOM 235 CD1 ILE A 33 -10.476 0.945 -8.131 1.00 0.00 C ATOM 0 H ILE A 33 -6.920 -1.745 -5.385 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.921 0.236 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.750 -1.798 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.299 -0.791 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -10.956 -1.131 -8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.583 -0.361 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -10.227 -0.275 -4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.492 1.045 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.783 1.035 -9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.299 1.245 -7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.617 1.590 -7.949 1.00 0.00 H new ATOM 247 N LYS A 34 -8.568 1.612 -5.083 1.00 0.00 N ATOM 248 CA LYS A 34 -8.427 2.524 -3.975 1.00 0.00 C ATOM 249 C LYS A 34 -9.117 1.790 -2.830 1.00 0.00 C ATOM 250 O LYS A 34 -10.275 1.393 -2.956 1.00 0.00 O ATOM 251 CB LYS A 34 -9.104 3.866 -4.261 1.00 0.00 C ATOM 252 CG LYS A 34 -8.472 4.634 -5.412 1.00 0.00 C ATOM 253 CD LYS A 34 -7.621 5.790 -4.911 1.00 0.00 C ATOM 254 CE LYS A 34 -7.061 6.608 -6.063 1.00 0.00 C ATOM 255 NZ LYS A 34 -7.942 7.758 -6.407 1.00 0.00 N ATOM 0 H LYS A 34 -9.261 1.882 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.387 2.772 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.156 3.692 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.068 4.481 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.856 3.959 -6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.254 5.015 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.220 6.432 -4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.801 5.404 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.070 6.976 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.941 5.969 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.525 8.291 -7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.880 7.406 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.037 8.382 -5.581 1.00 0.00 H new ATOM 269 N GLY A 35 -8.398 1.538 -1.757 1.00 0.00 N ATOM 270 CA GLY A 35 -8.961 0.760 -0.677 1.00 0.00 C ATOM 271 C GLY A 35 -8.525 1.183 0.703 1.00 0.00 C ATOM 272 O GLY A 35 -7.715 2.099 0.876 1.00 0.00 O ATOM 0 H GLY A 35 -7.439 1.854 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.048 0.820 -0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.691 -0.286 -0.823 1.00 0.00 H new ATOM 276 N GLU A 36 -9.084 0.495 1.690 1.00 0.00 N ATOM 277 CA GLU A 36 -8.779 0.770 3.091 1.00 0.00 C ATOM 278 C GLU A 36 -7.970 -0.367 3.708 1.00 0.00 C ATOM 279 O GLU A 36 -8.115 -1.533 3.309 1.00 0.00 O ATOM 280 CB GLU A 36 -10.071 0.978 3.884 1.00 0.00 C ATOM 281 CG GLU A 36 -10.877 2.182 3.427 1.00 0.00 C ATOM 282 CD GLU A 36 -12.365 2.015 3.671 1.00 0.00 C ATOM 283 OE1 GLU A 36 -13.046 1.426 2.804 1.00 0.00 O ATOM 284 OE2 GLU A 36 -12.848 2.472 4.728 1.00 0.00 O ATOM 0 H GLU A 36 -9.754 -0.261 1.547 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.182 1.681 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.688 0.084 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.825 1.095 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.524 3.071 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.703 2.348 2.364 1.00 0.00 H new ATOM 291 N VAL A 37 -7.115 -0.024 4.685 1.00 0.00 N ATOM 292 CA VAL A 37 -6.287 -1.035 5.352 1.00 0.00 C ATOM 293 C VAL A 37 -6.535 -1.092 6.842 1.00 0.00 C ATOM 294 O VAL A 37 -6.387 -0.103 7.561 1.00 0.00 O ATOM 295 CB VAL A 37 -4.782 -0.815 5.108 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.463 -0.866 3.627 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.317 0.500 5.710 1.00 0.00 C ATOM 0 H VAL A 37 -6.982 0.929 5.024 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.584 -1.984 4.906 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.242 -1.623 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.395 -0.708 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.744 -1.840 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.020 -0.086 3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.251 0.629 5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.868 1.323 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.498 0.492 6.785 1.00 0.00 H new ATOM 307 N VAL A 38 -6.878 -2.287 7.290 1.00 0.00 N ATOM 308 CA VAL A 38 -7.130 -2.541 8.689 1.00 0.00 C ATOM 309 C VAL A 38 -6.430 -3.820 9.135 1.00 0.00 C ATOM 310 O VAL A 38 -6.244 -4.755 8.353 1.00 0.00 O ATOM 311 CB VAL A 38 -8.636 -2.663 8.981 1.00 0.00 C ATOM 312 CG1 VAL A 38 -8.885 -2.744 10.479 1.00 0.00 C ATOM 313 CG2 VAL A 38 -9.395 -1.496 8.370 1.00 0.00 C ATOM 0 H VAL A 38 -6.988 -3.105 6.691 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.735 -1.691 9.246 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.002 -3.583 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.955 -2.830 10.666 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.374 -3.617 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.504 -1.843 10.960 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.458 -1.600 8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.028 -0.561 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.244 -1.489 7.291 1.00 0.00 H new ATOM 323 N ASP A 39 -6.046 -3.844 10.393 1.00 0.00 N ATOM 324 CA ASP A 39 -5.377 -5.001 10.976 1.00 0.00 C ATOM 325 C ASP A 39 -6.412 -5.947 11.580 1.00 0.00 C ATOM 326 O ASP A 39 -6.863 -5.751 12.708 1.00 0.00 O ATOM 327 CB ASP A 39 -4.379 -4.557 12.048 1.00 0.00 C ATOM 328 CG ASP A 39 -2.980 -4.370 11.494 1.00 0.00 C ATOM 329 OD1 ASP A 39 -2.800 -3.496 10.619 1.00 0.00 O ATOM 330 OD2 ASP A 39 -2.065 -5.096 11.934 1.00 0.00 O ATOM 0 H ASP A 39 -6.185 -3.070 11.042 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.831 -5.524 10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.719 -3.621 12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.354 -5.298 12.847 1.00 0.00 H new ATOM 335 N GLU A 40 -6.801 -6.958 10.808 1.00 0.00 N ATOM 336 CA GLU A 40 -7.806 -7.931 11.242 1.00 0.00 C ATOM 337 C GLU A 40 -7.603 -8.371 12.691 1.00 0.00 C ATOM 338 O GLU A 40 -8.572 -8.585 13.420 1.00 0.00 O ATOM 339 CB GLU A 40 -7.793 -9.152 10.321 1.00 0.00 C ATOM 340 CG GLU A 40 -6.468 -9.896 10.312 1.00 0.00 C ATOM 341 CD GLU A 40 -6.577 -11.269 9.678 1.00 0.00 C ATOM 342 OE1 GLU A 40 -7.370 -11.421 8.725 1.00 0.00 O ATOM 343 OE2 GLU A 40 -5.870 -12.193 10.134 1.00 0.00 O ATOM 0 H GLU A 40 -6.434 -7.128 9.872 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.776 -7.437 11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.582 -9.837 10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.027 -8.833 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.728 -9.307 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.106 -9.999 11.335 1.00 0.00 H new ATOM 350 N THR A 41 -6.349 -8.514 13.107 1.00 0.00 N ATOM 351 CA THR A 41 -6.054 -8.937 14.473 1.00 0.00 C ATOM 352 C THR A 41 -4.731 -8.359 14.965 1.00 0.00 C ATOM 353 O THR A 41 -3.955 -9.044 15.629 1.00 0.00 O ATOM 354 CB THR A 41 -6.016 -10.465 14.552 1.00 0.00 C ATOM 355 OG1 THR A 41 -5.676 -10.891 15.860 1.00 0.00 O ATOM 356 CG2 THR A 41 -5.025 -11.090 13.594 1.00 0.00 C ATOM 0 H THR A 41 -5.528 -8.346 12.526 1.00 0.00 H new ATOM 0 HA THR A 41 -6.847 -8.558 15.118 1.00 0.00 H new ATOM 0 HB THR A 41 -7.018 -10.793 14.277 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.806 -10.515 16.111 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.049 -12.174 13.702 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.289 -10.821 12.571 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.023 -10.725 13.818 1.00 0.00 H new ATOM 364 N GLN A 42 -4.482 -7.093 14.640 1.00 0.00 N ATOM 365 CA GLN A 42 -3.251 -6.422 15.056 1.00 0.00 C ATOM 366 C GLN A 42 -2.033 -7.308 14.801 1.00 0.00 C ATOM 367 O GLN A 42 -1.270 -7.615 15.719 1.00 0.00 O ATOM 368 CB GLN A 42 -3.328 -6.048 16.536 1.00 0.00 C ATOM 369 CG GLN A 42 -4.145 -4.795 16.806 1.00 0.00 C ATOM 370 CD GLN A 42 -5.481 -5.098 17.456 1.00 0.00 C ATOM 371 OE1 GLN A 42 -6.481 -5.317 16.773 1.00 0.00 O ATOM 372 NE2 GLN A 42 -5.504 -5.111 18.784 1.00 0.00 N ATOM 0 H GLN A 42 -5.114 -6.511 14.091 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.142 -5.513 14.464 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.761 -6.880 17.090 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.318 -5.902 16.918 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.575 -4.126 17.451 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.313 -4.266 15.868 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.651 -4.924 19.311 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.375 -5.308 19.277 1.00 0.00 H new ATOM 381 N ASN A 43 -1.862 -7.718 13.551 1.00 0.00 N ATOM 382 CA ASN A 43 -0.741 -8.574 13.170 1.00 0.00 C ATOM 383 C ASN A 43 -0.673 -8.717 11.656 1.00 0.00 C ATOM 384 O ASN A 43 0.263 -8.235 11.018 1.00 0.00 O ATOM 385 CB ASN A 43 -0.876 -9.952 13.821 1.00 0.00 C ATOM 386 CG ASN A 43 0.470 -10.578 14.131 1.00 0.00 C ATOM 387 OD1 ASN A 43 0.781 -10.869 15.287 1.00 0.00 O ATOM 388 ND2 ASN A 43 1.278 -10.788 13.098 1.00 0.00 N ATOM 0 H ASN A 43 -2.485 -7.473 12.781 1.00 0.00 H new ATOM 0 HA ASN A 43 0.181 -8.109 13.520 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.452 -9.861 14.742 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.436 -10.611 13.158 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.197 -11.206 13.246 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.980 -10.532 12.157 1.00 0.00 H new ATOM 395 N THR A 44 -1.681 -9.363 11.085 1.00 0.00 N ATOM 396 CA THR A 44 -1.750 -9.544 9.643 1.00 0.00 C ATOM 397 C THR A 44 -2.387 -8.312 9.023 1.00 0.00 C ATOM 398 O THR A 44 -3.087 -7.566 9.709 1.00 0.00 O ATOM 399 CB THR A 44 -2.557 -10.795 9.289 1.00 0.00 C ATOM 400 OG1 THR A 44 -3.942 -10.562 9.465 1.00 0.00 O ATOM 401 CG2 THR A 44 -2.185 -12.003 10.121 1.00 0.00 C ATOM 0 H THR A 44 -2.462 -9.770 11.599 1.00 0.00 H new ATOM 0 HA THR A 44 -0.742 -9.676 9.249 1.00 0.00 H new ATOM 0 HB THR A 44 -2.321 -11.007 8.246 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.337 -11.304 9.969 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.794 -12.855 9.819 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.132 -12.239 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.361 -11.787 11.175 1.00 0.00 H new ATOM 409 N LEU A 45 -2.144 -8.079 7.740 1.00 0.00 N ATOM 410 CA LEU A 45 -2.711 -6.904 7.090 1.00 0.00 C ATOM 411 C LEU A 45 -3.792 -7.283 6.093 1.00 0.00 C ATOM 412 O LEU A 45 -3.550 -8.054 5.163 1.00 0.00 O ATOM 413 CB LEU A 45 -1.610 -6.112 6.382 1.00 0.00 C ATOM 414 CG LEU A 45 -0.389 -5.786 7.244 1.00 0.00 C ATOM 415 CD1 LEU A 45 0.896 -5.955 6.446 1.00 0.00 C ATOM 416 CD2 LEU A 45 -0.490 -4.377 7.808 1.00 0.00 C ATOM 0 H LEU A 45 -1.572 -8.673 7.140 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.167 -6.286 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.280 -6.678 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.035 -5.178 6.013 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.365 -6.487 8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.751 -5.718 7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.976 -6.985 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.882 -5.283 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.388 -4.165 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.544 -3.660 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.387 -4.294 8.422 1.00 0.00 H new ATOM 427 N LYS A 46 -4.979 -6.715 6.269 1.00 0.00 N ATOM 428 CA LYS A 46 -6.081 -6.975 5.357 1.00 0.00 C ATOM 429 C LYS A 46 -6.446 -5.688 4.637 1.00 0.00 C ATOM 430 O LYS A 46 -6.718 -4.668 5.269 1.00 0.00 O ATOM 431 CB LYS A 46 -7.295 -7.536 6.104 1.00 0.00 C ATOM 432 CG LYS A 46 -7.790 -6.654 7.238 1.00 0.00 C ATOM 433 CD LYS A 46 -9.214 -7.007 7.636 1.00 0.00 C ATOM 434 CE LYS A 46 -9.614 -6.338 8.942 1.00 0.00 C ATOM 435 NZ LYS A 46 -10.703 -5.342 8.744 1.00 0.00 N ATOM 0 H LYS A 46 -5.200 -6.075 7.032 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.769 -7.724 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.108 -7.685 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.039 -8.516 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.132 -6.764 8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.745 -5.608 6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.899 -6.701 6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.306 -8.088 7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.941 -7.096 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.745 -5.845 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.708 -4.671 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.544 -4.826 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.619 -5.833 8.700 1.00 0.00 H new ATOM 449 N ILE A 47 -6.430 -5.731 3.316 1.00 0.00 N ATOM 450 CA ILE A 47 -6.738 -4.551 2.523 1.00 0.00 C ATOM 451 C ILE A 47 -7.813 -4.854 1.497 1.00 0.00 C ATOM 452 O ILE A 47 -7.779 -5.899 0.848 1.00 0.00 O ATOM 453 CB ILE A 47 -5.486 -4.023 1.799 1.00 0.00 C ATOM 454 CG1 ILE A 47 -4.239 -4.236 2.665 1.00 0.00 C ATOM 455 CG2 ILE A 47 -5.663 -2.555 1.457 1.00 0.00 C ATOM 456 CD1 ILE A 47 -2.962 -3.720 2.037 1.00 0.00 C ATOM 0 H ILE A 47 -6.209 -6.564 2.771 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.100 -3.787 3.211 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.353 -4.579 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.386 -3.741 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.128 -5.301 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.772 -2.191 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.530 -2.435 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.814 -1.984 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.125 -3.907 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.789 -4.232 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.052 -2.648 1.858 1.00 0.00 H new ATOM 468 N MET A 48 -8.772 -3.952 1.349 1.00 0.00 N ATOM 469 CA MET A 48 -9.850 -4.168 0.383 1.00 0.00 C ATOM 470 C MET A 48 -9.921 -3.014 -0.611 1.00 0.00 C ATOM 471 O MET A 48 -9.969 -1.844 -0.196 1.00 0.00 O ATOM 472 CB MET A 48 -11.190 -4.313 1.110 1.00 0.00 C ATOM 473 CG MET A 48 -11.627 -3.052 1.840 1.00 0.00 C ATOM 474 SD MET A 48 -12.067 -3.360 3.562 1.00 0.00 S ATOM 475 CE MET A 48 -13.833 -3.617 3.420 1.00 0.00 C ATOM 0 H MET A 48 -8.831 -3.078 1.872 1.00 0.00 H new ATOM 0 HA MET A 48 -9.640 -5.087 -0.165 1.00 0.00 H new ATOM 0 HB2 MET A 48 -11.958 -4.589 0.387 1.00 0.00 H new ATOM 0 HB3 MET A 48 -11.118 -5.131 1.827 1.00 0.00 H new ATOM 0 HG2 MET A 48 -10.823 -2.317 1.801 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.482 -2.616 1.323 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.252 -3.819 4.406 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.299 -2.723 3.005 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.026 -4.465 2.763 1.00 0.00 H new ATOM 485 N THR A 49 -9.920 -3.331 -1.925 1.00 0.00 N ATOM 486 CA THR A 49 -9.977 -2.293 -2.935 1.00 0.00 C ATOM 487 C THR A 49 -11.354 -2.249 -3.610 1.00 0.00 C ATOM 488 O THR A 49 -12.237 -1.515 -3.167 1.00 0.00 O ATOM 489 CB THR A 49 -8.853 -2.502 -3.953 1.00 0.00 C ATOM 490 OG1 THR A 49 -9.204 -3.474 -4.920 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.546 -2.940 -3.325 1.00 0.00 C ATOM 0 H THR A 49 -9.881 -4.283 -2.289 1.00 0.00 H new ATOM 0 HA THR A 49 -9.831 -1.325 -2.456 1.00 0.00 H new ATOM 0 HB THR A 49 -8.714 -1.524 -4.415 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.429 -3.665 -5.488 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.794 -3.069 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.210 -2.182 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.693 -3.885 -2.801 1.00 0.00 H new ATOM 499 N GLU A 50 -11.543 -3.031 -4.674 1.00 0.00 N ATOM 500 CA GLU A 50 -12.823 -3.060 -5.382 1.00 0.00 C ATOM 501 C GLU A 50 -13.204 -4.481 -5.767 1.00 0.00 C ATOM 502 O GLU A 50 -14.281 -4.957 -5.407 1.00 0.00 O ATOM 503 CB GLU A 50 -12.772 -2.186 -6.633 1.00 0.00 C ATOM 504 CG GLU A 50 -13.745 -1.018 -6.602 1.00 0.00 C ATOM 505 CD GLU A 50 -13.961 -0.404 -7.970 1.00 0.00 C ATOM 506 OE1 GLU A 50 -13.968 -1.159 -8.965 1.00 0.00 O ATOM 507 OE2 GLU A 50 -14.124 0.831 -8.047 1.00 0.00 O ATOM 0 H GLU A 50 -10.831 -3.649 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.580 -2.666 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.760 -1.801 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.986 -2.803 -7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.702 -1.357 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.369 -0.255 -5.920 1.00 0.00 H new ATOM 514 N LYS A 51 -12.319 -5.167 -6.492 1.00 0.00 N ATOM 515 CA LYS A 51 -12.598 -6.539 -6.895 1.00 0.00 C ATOM 516 C LYS A 51 -12.857 -7.411 -5.668 1.00 0.00 C ATOM 517 O LYS A 51 -13.408 -8.506 -5.775 1.00 0.00 O ATOM 518 CB LYS A 51 -11.435 -7.105 -7.709 1.00 0.00 C ATOM 519 CG LYS A 51 -11.212 -6.389 -9.032 1.00 0.00 C ATOM 520 CD LYS A 51 -11.471 -7.307 -10.217 1.00 0.00 C ATOM 521 CE LYS A 51 -12.901 -7.180 -10.717 1.00 0.00 C ATOM 522 NZ LYS A 51 -13.796 -8.203 -10.106 1.00 0.00 N ATOM 0 H LYS A 51 -11.420 -4.801 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.491 -6.540 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.523 -7.045 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.619 -8.162 -7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.870 -5.522 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.189 -6.016 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.779 -7.065 -11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.276 -8.340 -9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.279 -6.184 -10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.917 -7.285 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.762 -8.083 -10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.451 -9.154 -10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.801 -8.087 -9.073 1.00 0.00 H new ATOM 536 N GLY A 52 -12.457 -6.909 -4.502 1.00 0.00 N ATOM 537 CA GLY A 52 -12.651 -7.637 -3.268 1.00 0.00 C ATOM 538 C GLY A 52 -11.625 -7.268 -2.215 1.00 0.00 C ATOM 539 O GLY A 52 -10.948 -6.239 -2.318 1.00 0.00 O ATOM 0 H GLY A 52 -11.999 -6.004 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.651 -7.436 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.595 -8.707 -3.467 1.00 0.00 H new ATOM 543 N LEU A 53 -11.509 -8.115 -1.201 1.00 0.00 N ATOM 544 CA LEU A 53 -10.560 -7.893 -0.123 1.00 0.00 C ATOM 545 C LEU A 53 -9.684 -9.124 0.075 1.00 0.00 C ATOM 546 O LEU A 53 -10.171 -10.255 0.067 1.00 0.00 O ATOM 547 CB LEU A 53 -11.294 -7.547 1.178 1.00 0.00 C ATOM 548 CG LEU A 53 -11.846 -8.744 1.955 1.00 0.00 C ATOM 549 CD1 LEU A 53 -12.388 -8.301 3.305 1.00 0.00 C ATOM 550 CD2 LEU A 53 -12.927 -9.449 1.149 1.00 0.00 C ATOM 0 H LEU A 53 -12.064 -8.965 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.922 -7.051 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.611 -6.998 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.120 -6.875 0.943 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.032 -9.448 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.776 -9.166 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.588 -7.842 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.189 -7.577 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.309 -10.298 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.741 -8.753 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.507 -9.802 0.207 1.00 0.00 H new ATOM 562 N LYS A 54 -8.392 -8.896 0.256 1.00 0.00 N ATOM 563 CA LYS A 54 -7.448 -9.979 0.459 1.00 0.00 C ATOM 564 C LYS A 54 -6.627 -9.752 1.725 1.00 0.00 C ATOM 565 O LYS A 54 -6.334 -8.612 2.094 1.00 0.00 O ATOM 566 CB LYS A 54 -6.520 -10.113 -0.750 1.00 0.00 C ATOM 567 CG LYS A 54 -7.036 -11.075 -1.808 1.00 0.00 C ATOM 568 CD LYS A 54 -7.008 -12.512 -1.314 1.00 0.00 C ATOM 569 CE LYS A 54 -7.603 -13.464 -2.339 1.00 0.00 C ATOM 570 NZ LYS A 54 -7.618 -14.870 -1.846 1.00 0.00 N ATOM 0 H LYS A 54 -7.974 -7.966 0.266 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.014 -10.904 0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.380 -9.131 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.541 -10.450 -0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.055 -10.803 -2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.429 -10.987 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.980 -12.804 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.564 -12.588 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.620 -13.152 -2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.027 -13.409 -3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.031 -15.488 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.645 -15.177 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.188 -14.928 -0.978 1.00 0.00 H new ATOM 584 N VAL A 55 -6.259 -10.845 2.384 1.00 0.00 N ATOM 585 CA VAL A 55 -5.471 -10.770 3.607 1.00 0.00 C ATOM 586 C VAL A 55 -4.148 -11.509 3.453 1.00 0.00 C ATOM 587 O VAL A 55 -4.115 -12.673 3.054 1.00 0.00 O ATOM 588 CB VAL A 55 -6.233 -11.354 4.810 1.00 0.00 C ATOM 589 CG1 VAL A 55 -7.471 -10.524 5.116 1.00 0.00 C ATOM 590 CG2 VAL A 55 -6.603 -12.810 4.557 1.00 0.00 C ATOM 0 H VAL A 55 -6.494 -11.793 2.091 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.278 -9.713 3.790 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.578 -11.318 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.995 -10.954 5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.175 -9.501 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.131 -10.522 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.141 -13.204 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.237 -12.876 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.696 -13.393 4.398 1.00 0.00 H new ATOM 600 N VAL A 56 -3.060 -10.823 3.775 1.00 0.00 N ATOM 601 CA VAL A 56 -1.731 -11.402 3.677 1.00 0.00 C ATOM 602 C VAL A 56 -0.918 -11.156 4.946 1.00 0.00 C ATOM 603 O VAL A 56 -1.079 -10.133 5.622 1.00 0.00 O ATOM 604 CB VAL A 56 -0.959 -10.836 2.471 1.00 0.00 C ATOM 605 CG1 VAL A 56 -1.469 -11.446 1.174 1.00 0.00 C ATOM 606 CG2 VAL A 56 -1.064 -9.319 2.434 1.00 0.00 C ATOM 0 H VAL A 56 -3.074 -9.859 4.108 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.869 -12.475 3.544 1.00 0.00 H new ATOM 0 HB VAL A 56 0.093 -11.102 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.911 -11.033 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.335 -12.527 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.528 -11.215 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.512 -8.937 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.111 -9.029 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.644 -8.903 3.350 1.00 0.00 H new ATOM 616 N ALA A 57 -0.039 -12.103 5.255 1.00 0.00 N ATOM 617 CA ALA A 57 0.816 -12.009 6.428 1.00 0.00 C ATOM 618 C ALA A 57 2.281 -12.185 6.038 1.00 0.00 C ATOM 619 O ALA A 57 2.631 -13.109 5.304 1.00 0.00 O ATOM 620 CB ALA A 57 0.411 -13.047 7.463 1.00 0.00 C ATOM 0 H ALA A 57 0.099 -12.950 4.703 1.00 0.00 H new ATOM 0 HA ALA A 57 0.694 -11.018 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.060 -12.964 8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.623 -12.877 7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.505 -14.045 7.034 1.00 0.00 H new ATOM 626 N LYS A 58 3.134 -11.295 6.531 1.00 0.00 N ATOM 627 CA LYS A 58 4.561 -11.354 6.234 1.00 0.00 C ATOM 628 C LYS A 58 4.829 -11.135 4.744 1.00 0.00 C ATOM 629 O LYS A 58 5.314 -12.030 4.052 1.00 0.00 O ATOM 630 CB LYS A 58 5.143 -12.697 6.681 1.00 0.00 C ATOM 631 CG LYS A 58 5.739 -12.666 8.078 1.00 0.00 C ATOM 632 CD LYS A 58 5.940 -14.068 8.628 1.00 0.00 C ATOM 633 CE LYS A 58 5.658 -14.126 10.121 1.00 0.00 C ATOM 634 NZ LYS A 58 5.871 -15.491 10.674 1.00 0.00 N ATOM 0 H LYS A 58 2.862 -10.523 7.139 1.00 0.00 H new ATOM 0 HA LYS A 58 5.050 -10.552 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.359 -13.453 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.913 -13.004 5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.695 -12.142 8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.083 -12.104 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.283 -14.763 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.963 -14.392 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.305 -13.419 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.630 -13.815 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.668 -15.488 11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.236 -16.162 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.858 -15.779 10.518 1.00 0.00 H new ATOM 648 N ARG A 59 4.525 -9.934 4.264 1.00 0.00 N ATOM 649 CA ARG A 59 4.745 -9.582 2.862 1.00 0.00 C ATOM 650 C ARG A 59 3.868 -10.407 1.921 1.00 0.00 C ATOM 651 O ARG A 59 3.119 -11.284 2.352 1.00 0.00 O ATOM 652 CB ARG A 59 6.220 -9.769 2.495 1.00 0.00 C ATOM 653 CG ARG A 59 7.027 -8.482 2.544 1.00 0.00 C ATOM 654 CD ARG A 59 7.089 -7.916 3.954 1.00 0.00 C ATOM 655 NE ARG A 59 8.279 -8.369 4.673 1.00 0.00 N ATOM 656 CZ ARG A 59 8.759 -7.770 5.761 1.00 0.00 C ATOM 657 NH1 ARG A 59 8.158 -6.695 6.255 1.00 0.00 N ATOM 658 NH2 ARG A 59 9.844 -8.247 6.355 1.00 0.00 N ATOM 0 H ARG A 59 4.124 -9.184 4.826 1.00 0.00 H new ATOM 0 HA ARG A 59 4.468 -8.535 2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.666 -10.494 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.286 -10.191 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.038 -8.671 2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.581 -7.746 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.085 -6.827 3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.197 -8.215 4.504 1.00 0.00 H new ATOM 0 HE ARG A 59 8.770 -9.191 4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.324 -6.323 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.530 -6.240 7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.310 -9.072 5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.212 -7.789 7.188 1.00 0.00 H new ATOM 672 N GLY A 60 3.973 -10.106 0.628 1.00 0.00 N ATOM 673 CA GLY A 60 3.197 -10.804 -0.384 1.00 0.00 C ATOM 674 C GLY A 60 2.940 -9.929 -1.597 1.00 0.00 C ATOM 675 O GLY A 60 3.866 -9.596 -2.338 1.00 0.00 O ATOM 0 H GLY A 60 4.590 -9.382 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.727 -11.705 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.246 -11.123 0.043 1.00 0.00 H new ATOM 679 N ARG A 61 1.683 -9.538 -1.790 1.00 0.00 N ATOM 680 CA ARG A 61 1.303 -8.674 -2.904 1.00 0.00 C ATOM 681 C ARG A 61 2.076 -7.360 -2.834 1.00 0.00 C ATOM 682 O ARG A 61 3.078 -7.258 -2.114 1.00 0.00 O ATOM 683 CB ARG A 61 -0.200 -8.420 -2.860 1.00 0.00 C ATOM 684 CG ARG A 61 -1.016 -9.704 -2.894 1.00 0.00 C ATOM 685 CD ARG A 61 -0.785 -10.473 -4.186 1.00 0.00 C ATOM 686 NE ARG A 61 0.494 -11.179 -4.183 1.00 0.00 N ATOM 687 CZ ARG A 61 1.139 -11.552 -5.286 1.00 0.00 C ATOM 688 NH1 ARG A 61 0.629 -11.289 -6.484 1.00 0.00 N ATOM 689 NH2 ARG A 61 2.298 -12.189 -5.193 1.00 0.00 N ATOM 0 H ARG A 61 0.907 -9.808 -1.186 1.00 0.00 H new ATOM 0 HA ARG A 61 1.549 -9.164 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.444 -7.864 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.483 -7.793 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.748 -10.330 -2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.075 -9.467 -2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.594 -11.189 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.816 -9.783 -5.029 1.00 0.00 H new ATOM 0 HE ARG A 61 0.918 -11.399 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.262 -10.799 -6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.128 -11.578 -7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.696 -12.393 -4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.792 -12.475 -6.038 1.00 0.00 H new ATOM 703 N THR A 62 1.616 -6.345 -3.554 1.00 0.00 N ATOM 704 CA THR A 62 2.279 -5.049 -3.522 1.00 0.00 C ATOM 705 C THR A 62 1.278 -3.985 -3.111 1.00 0.00 C ATOM 706 O THR A 62 0.242 -3.818 -3.755 1.00 0.00 O ATOM 707 CB THR A 62 2.874 -4.715 -4.890 1.00 0.00 C ATOM 708 OG1 THR A 62 3.509 -5.851 -5.450 1.00 0.00 O ATOM 709 CG2 THR A 62 3.894 -3.598 -4.846 1.00 0.00 C ATOM 0 H THR A 62 0.797 -6.392 -4.160 1.00 0.00 H new ATOM 0 HA THR A 62 3.093 -5.082 -2.798 1.00 0.00 H new ATOM 0 HB THR A 62 2.030 -4.390 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.882 -5.619 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.275 -3.413 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.425 -2.692 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.718 -3.883 -4.192 1.00 0.00 H new ATOM 717 N PHE A 63 1.573 -3.263 -2.042 1.00 0.00 N ATOM 718 CA PHE A 63 0.658 -2.233 -1.571 1.00 0.00 C ATOM 719 C PHE A 63 1.398 -0.942 -1.180 1.00 0.00 C ATOM 720 O PHE A 63 2.577 -0.963 -0.817 1.00 0.00 O ATOM 721 CB PHE A 63 -0.146 -2.746 -0.367 1.00 0.00 C ATOM 722 CG PHE A 63 0.225 -4.137 0.072 1.00 0.00 C ATOM 723 CD1 PHE A 63 1.497 -4.410 0.548 1.00 0.00 C ATOM 724 CD2 PHE A 63 -0.699 -5.168 0.008 1.00 0.00 C ATOM 725 CE1 PHE A 63 1.843 -5.686 0.950 1.00 0.00 C ATOM 726 CE2 PHE A 63 -0.359 -6.446 0.409 1.00 0.00 C ATOM 727 CZ PHE A 63 0.913 -6.706 0.881 1.00 0.00 C ATOM 0 H PHE A 63 2.425 -3.367 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.017 -2.000 -2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.003 -2.062 0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.207 -2.726 -0.617 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.227 -3.616 0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.695 -4.971 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.839 -5.886 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.088 -7.241 0.353 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.180 -7.704 1.195 1.00 0.00 H new ATOM 737 N ARG A 64 0.670 0.168 -1.219 1.00 0.00 N ATOM 738 CA ARG A 64 1.198 1.475 -0.831 1.00 0.00 C ATOM 739 C ARG A 64 0.278 2.043 0.242 1.00 0.00 C ATOM 740 O ARG A 64 -0.932 2.106 0.035 1.00 0.00 O ATOM 741 CB ARG A 64 1.261 2.417 -2.035 1.00 0.00 C ATOM 742 CG ARG A 64 2.003 1.834 -3.227 1.00 0.00 C ATOM 743 CD ARG A 64 1.284 2.131 -4.533 1.00 0.00 C ATOM 744 NE ARG A 64 2.005 1.601 -5.688 1.00 0.00 N ATOM 745 CZ ARG A 64 1.452 1.412 -6.884 1.00 0.00 C ATOM 746 NH1 ARG A 64 0.175 1.711 -7.088 1.00 0.00 N ATOM 747 NH2 ARG A 64 2.178 0.922 -7.880 1.00 0.00 N ATOM 0 H ARG A 64 -0.304 0.189 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 64 2.213 1.371 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.246 2.672 -2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.747 3.345 -1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.012 2.245 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.102 0.756 -3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.283 1.700 -4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.164 3.209 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 64 2.990 1.362 -5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.389 2.088 -6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.243 1.564 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.160 0.690 -7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.754 0.777 -8.797 1.00 0.00 H new ATOM 761 N VAL A 65 0.819 2.411 1.401 1.00 0.00 N ATOM 762 CA VAL A 65 -0.024 2.905 2.489 1.00 0.00 C ATOM 763 C VAL A 65 0.259 4.348 2.913 1.00 0.00 C ATOM 764 O VAL A 65 1.408 4.768 3.052 1.00 0.00 O ATOM 765 CB VAL A 65 0.106 1.998 3.729 1.00 0.00 C ATOM 766 CG1 VAL A 65 -0.235 0.559 3.376 1.00 0.00 C ATOM 767 CG2 VAL A 65 1.506 2.089 4.318 1.00 0.00 C ATOM 0 H VAL A 65 1.817 2.378 1.610 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.036 2.885 2.085 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.603 2.344 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.138 -0.066 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.259 0.508 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.447 0.202 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.576 1.441 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.236 1.773 3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.711 3.118 4.612 1.00 0.00 H new ATOM 777 N TRP A 66 -0.834 5.073 3.158 1.00 0.00 N ATOM 778 CA TRP A 66 -0.800 6.453 3.619 1.00 0.00 C ATOM 779 C TRP A 66 -1.599 6.580 4.923 1.00 0.00 C ATOM 780 O TRP A 66 -2.780 6.212 4.992 1.00 0.00 O ATOM 781 CB TRP A 66 -1.402 7.404 2.580 1.00 0.00 C ATOM 782 CG TRP A 66 -0.981 7.143 1.166 1.00 0.00 C ATOM 783 CD1 TRP A 66 0.254 7.346 0.621 1.00 0.00 C ATOM 784 CD2 TRP A 66 -1.810 6.653 0.108 1.00 0.00 C ATOM 785 NE1 TRP A 66 0.241 7.015 -0.713 1.00 0.00 N ATOM 786 CE2 TRP A 66 -1.015 6.586 -1.050 1.00 0.00 C ATOM 787 CE3 TRP A 66 -3.149 6.264 0.030 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -1.519 6.148 -2.272 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -3.649 5.828 -1.176 1.00 0.00 C ATOM 790 CH2 TRP A 66 -2.835 5.774 -2.316 1.00 0.00 C ATOM 0 H TRP A 66 -1.779 4.708 3.039 1.00 0.00 H new ATOM 0 HA TRP A 66 0.243 6.725 3.781 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.489 7.341 2.638 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.128 8.426 2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.115 7.713 1.159 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.037 7.079 -1.348 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.783 6.305 0.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -0.895 6.105 -3.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.683 5.523 -1.245 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -3.255 5.430 -3.249 1.00 0.00 H new ATOM 801 N TYR A 67 -0.939 7.103 5.953 1.00 0.00 N ATOM 802 CA TYR A 67 -1.571 7.283 7.254 1.00 0.00 C ATOM 803 C TYR A 67 -1.411 8.720 7.736 1.00 0.00 C ATOM 804 O TYR A 67 -0.584 9.468 7.217 1.00 0.00 O ATOM 805 CB TYR A 67 -0.964 6.317 8.274 1.00 0.00 C ATOM 806 CG TYR A 67 -1.638 6.357 9.627 1.00 0.00 C ATOM 807 CD1 TYR A 67 -2.926 5.865 9.797 1.00 0.00 C ATOM 808 CD2 TYR A 67 -0.985 6.884 10.733 1.00 0.00 C ATOM 809 CE1 TYR A 67 -3.545 5.899 11.033 1.00 0.00 C ATOM 810 CE2 TYR A 67 -1.597 6.922 11.972 1.00 0.00 C ATOM 811 CZ TYR A 67 -2.876 6.428 12.117 1.00 0.00 C ATOM 812 OH TYR A 67 -3.488 6.464 13.348 1.00 0.00 O ATOM 0 H TYR A 67 0.033 7.409 5.911 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.635 7.069 7.151 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.022 5.303 7.879 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.093 6.551 8.398 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.452 5.449 8.950 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.017 7.271 10.624 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.547 5.513 11.149 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.076 7.337 12.822 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.881 6.866 14.004 1.00 0.00 H new ATOM 822 N LYS A 68 -2.207 9.100 8.730 1.00 0.00 N ATOM 823 CA LYS A 68 -2.148 10.449 9.281 1.00 0.00 C ATOM 824 C LYS A 68 -0.847 10.663 10.048 1.00 0.00 C ATOM 825 O LYS A 68 -0.852 10.832 11.267 1.00 0.00 O ATOM 826 CB LYS A 68 -3.347 10.703 10.196 1.00 0.00 C ATOM 827 CG LYS A 68 -4.561 11.254 9.466 1.00 0.00 C ATOM 828 CD LYS A 68 -4.502 12.769 9.350 1.00 0.00 C ATOM 829 CE LYS A 68 -5.586 13.300 8.427 1.00 0.00 C ATOM 830 NZ LYS A 68 -5.601 12.588 7.120 1.00 0.00 N ATOM 0 H LYS A 68 -2.900 8.494 9.170 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.181 11.157 8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.622 9.770 10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.055 11.403 10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.619 10.814 8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.468 10.964 9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.614 13.215 10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.524 13.068 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.558 13.193 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.429 14.365 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.078 13.178 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.624 12.401 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.111 11.687 7.221 1.00 0.00 H new ATOM 844 N GLY A 69 0.266 10.651 9.322 1.00 0.00 N ATOM 845 CA GLY A 69 1.561 10.843 9.947 1.00 0.00 C ATOM 846 C GLY A 69 2.704 10.715 8.960 1.00 0.00 C ATOM 847 O GLY A 69 3.706 11.423 9.067 1.00 0.00 O ATOM 0 H GLY A 69 0.294 10.512 8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.595 11.828 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.689 10.110 10.744 1.00 0.00 H new ATOM 851 N LYS A 70 2.560 9.810 7.995 1.00 0.00 N ATOM 852 CA LYS A 70 3.595 9.599 6.991 1.00 0.00 C ATOM 853 C LYS A 70 3.121 8.652 5.889 1.00 0.00 C ATOM 854 O LYS A 70 2.081 7.999 6.016 1.00 0.00 O ATOM 855 CB LYS A 70 4.864 9.048 7.646 1.00 0.00 C ATOM 856 CG LYS A 70 6.081 9.939 7.455 1.00 0.00 C ATOM 857 CD LYS A 70 7.255 9.466 8.296 1.00 0.00 C ATOM 858 CE LYS A 70 8.564 10.074 7.819 1.00 0.00 C ATOM 859 NZ LYS A 70 9.318 9.145 6.932 1.00 0.00 N ATOM 0 H LYS A 70 1.739 9.214 7.889 1.00 0.00 H new ATOM 0 HA LYS A 70 3.816 10.563 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.684 8.915 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.077 8.062 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.366 9.947 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.828 10.964 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.087 9.733 9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.320 8.379 8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.360 11.001 7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.179 10.333 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.204 9.597 6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.536 8.270 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.741 8.918 6.097 1.00 0.00 H new ATOM 873 N ILE A 71 3.895 8.588 4.809 1.00 0.00 N ATOM 874 CA ILE A 71 3.571 7.728 3.677 1.00 0.00 C ATOM 875 C ILE A 71 4.730 6.786 3.352 1.00 0.00 C ATOM 876 O ILE A 71 5.867 7.224 3.177 1.00 0.00 O ATOM 877 CB ILE A 71 3.234 8.561 2.426 1.00 0.00 C ATOM 878 CG1 ILE A 71 4.432 9.424 2.016 1.00 0.00 C ATOM 879 CG2 ILE A 71 2.013 9.431 2.685 1.00 0.00 C ATOM 880 CD1 ILE A 71 5.049 9.013 0.696 1.00 0.00 C ATOM 0 H ILE A 71 4.755 9.125 4.695 1.00 0.00 H new ATOM 0 HA ILE A 71 2.699 7.139 3.961 1.00 0.00 H new ATOM 0 HB ILE A 71 3.007 7.880 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.115 10.465 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.192 9.370 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.786 10.014 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.161 8.798 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.216 10.105 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.891 9.667 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.397 7.982 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.303 9.094 -0.095 1.00 0.00 H new ATOM 892 N MET A 72 4.436 5.492 3.266 1.00 0.00 N ATOM 893 CA MET A 72 5.460 4.497 2.957 1.00 0.00 C ATOM 894 C MET A 72 4.942 3.483 1.941 1.00 0.00 C ATOM 895 O MET A 72 3.736 3.323 1.774 1.00 0.00 O ATOM 896 CB MET A 72 5.904 3.776 4.232 1.00 0.00 C ATOM 897 CG MET A 72 7.156 2.934 4.049 1.00 0.00 C ATOM 898 SD MET A 72 6.788 1.191 3.779 1.00 0.00 S ATOM 899 CE MET A 72 8.004 0.417 4.842 1.00 0.00 C ATOM 0 H MET A 72 3.501 5.108 3.405 1.00 0.00 H new ATOM 0 HA MET A 72 6.316 5.015 2.525 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.084 4.514 5.013 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.093 3.136 4.579 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.726 3.316 3.202 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.789 3.035 4.930 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.902 -0.667 4.783 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.005 0.705 4.520 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.846 0.741 5.871 1.00 0.00 H new ATOM 909 N ARG A 73 5.858 2.799 1.264 1.00 0.00 N ATOM 910 CA ARG A 73 5.481 1.799 0.268 1.00 0.00 C ATOM 911 C ARG A 73 6.126 0.454 0.584 1.00 0.00 C ATOM 912 O ARG A 73 7.338 0.373 0.789 1.00 0.00 O ATOM 913 CB ARG A 73 5.888 2.263 -1.132 1.00 0.00 C ATOM 914 CG ARG A 73 5.397 3.660 -1.477 1.00 0.00 C ATOM 915 CD ARG A 73 6.552 4.613 -1.742 1.00 0.00 C ATOM 916 NE ARG A 73 7.106 5.161 -0.505 1.00 0.00 N ATOM 917 CZ ARG A 73 8.310 5.720 -0.415 1.00 0.00 C ATOM 918 NH1 ARG A 73 9.089 5.810 -1.486 1.00 0.00 N ATOM 919 NH2 ARG A 73 8.735 6.194 0.749 1.00 0.00 N ATOM 0 H ARG A 73 6.864 2.917 1.385 1.00 0.00 H new ATOM 0 HA ARG A 73 4.398 1.678 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.975 2.239 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.499 1.558 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.755 3.613 -2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.789 4.044 -0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.336 4.089 -2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.210 5.429 -2.378 1.00 0.00 H new ATOM 0 HE ARG A 73 6.536 5.112 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.765 5.450 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.011 6.240 -1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.139 6.130 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.658 6.623 0.819 1.00 0.00 H new ATOM 933 N ILE A 74 5.316 -0.603 0.620 1.00 0.00 N ATOM 934 CA ILE A 74 5.831 -1.936 0.915 1.00 0.00 C ATOM 935 C ILE A 74 5.470 -2.927 -0.189 1.00 0.00 C ATOM 936 O ILE A 74 4.299 -3.097 -0.531 1.00 0.00 O ATOM 937 CB ILE A 74 5.295 -2.459 2.266 1.00 0.00 C ATOM 938 CG1 ILE A 74 5.942 -3.800 2.618 1.00 0.00 C ATOM 939 CG2 ILE A 74 3.779 -2.586 2.227 1.00 0.00 C ATOM 940 CD1 ILE A 74 7.169 -3.668 3.493 1.00 0.00 C ATOM 0 H ILE A 74 4.311 -0.562 0.450 1.00 0.00 H new ATOM 0 HA ILE A 74 6.916 -1.850 0.974 1.00 0.00 H new ATOM 0 HB ILE A 74 5.557 -1.740 3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.209 -4.426 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.216 -4.315 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.420 -2.956 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.337 -1.610 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.492 -3.283 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.575 -4.658 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.920 -3.069 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.897 -3.182 4.430 1.00 0.00 H new ATOM 952 N LYS A 75 6.485 -3.583 -0.742 1.00 0.00 N ATOM 953 CA LYS A 75 6.275 -4.560 -1.805 1.00 0.00 C ATOM 954 C LYS A 75 6.931 -5.894 -1.460 1.00 0.00 C ATOM 955 O LYS A 75 8.085 -5.939 -1.034 1.00 0.00 O ATOM 956 CB LYS A 75 6.835 -4.033 -3.127 1.00 0.00 C ATOM 957 CG LYS A 75 8.336 -3.800 -3.104 1.00 0.00 C ATOM 958 CD LYS A 75 8.838 -3.255 -4.432 1.00 0.00 C ATOM 959 CE LYS A 75 10.105 -3.964 -4.883 1.00 0.00 C ATOM 960 NZ LYS A 75 10.377 -3.750 -6.331 1.00 0.00 N ATOM 0 H LYS A 75 7.460 -3.456 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 75 5.202 -4.720 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.598 -4.742 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.335 -3.097 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.584 -3.100 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.847 -4.736 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.064 -3.373 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.032 -2.186 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.951 -3.603 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.013 -5.032 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.249 -4.250 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.582 -4.118 -6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.490 -2.733 -6.516 1.00 0.00 H new ATOM 974 N GLY A 76 6.190 -6.980 -1.647 1.00 0.00 N ATOM 975 CA GLY A 76 6.721 -8.299 -1.355 1.00 0.00 C ATOM 976 C GLY A 76 7.020 -9.089 -2.613 1.00 0.00 C ATOM 977 O GLY A 76 6.238 -9.073 -3.564 1.00 0.00 O ATOM 0 H GLY A 76 5.231 -6.971 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.633 -8.199 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.005 -8.849 -0.744 1.00 0.00 H new ATOM 981 N ASP A 77 8.156 -9.780 -2.625 1.00 0.00 N ATOM 982 CA ASP A 77 8.552 -10.575 -3.782 1.00 0.00 C ATOM 983 C ASP A 77 9.665 -11.554 -3.420 1.00 0.00 C ATOM 984 O ASP A 77 9.649 -12.709 -3.844 1.00 0.00 O ATOM 985 CB ASP A 77 9.012 -9.661 -4.919 1.00 0.00 C ATOM 986 CG ASP A 77 8.604 -10.183 -6.282 1.00 0.00 C ATOM 987 OD1 ASP A 77 9.028 -11.302 -6.641 1.00 0.00 O ATOM 988 OD2 ASP A 77 7.861 -9.473 -6.992 1.00 0.00 O ATOM 0 H ASP A 77 8.817 -9.805 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 77 7.685 -11.148 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.592 -8.666 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.096 -9.558 -4.882 1.00 0.00 H new TER 993 ASP A 77