USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 682 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= -0.085 USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0.00968 USER MOD Set 2.1: A 21 THR OG1 : rot 155:sc= 1.16 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0386 K(o=-0.039,f=-1.3) USER MOD Single : A 14 ASN : amide:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-2) USER MOD Single : A 18 THR OG1 : rot -28:sc= 0.458 USER MOD Single : A 25 THR OG1 : rot 15:sc= -0.169 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 70:sc= -0.558 USER MOD Single : A 45 THR OG1 : rot 146:sc= 0.538 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.664 F(o=-1.2!,f=-0.66) USER MOD Single : A 53 SER OG : rot 93:sc= 0.00326 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc=-0.000983 F(o=-1.2,f=-0.00098) USER MOD Single : A 58 GLN : amide:sc= -0.626 K(o=-0.63,f=-5.3!) USER MOD Single : A 59 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0999 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -108:sc= -0.782 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 0.967 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.894 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -140:sc= -0.495 USER MOD Single : A 93 SER OG : rot 74:sc= -0.697 USER MOD Single : A 95 SER OG : rot -119:sc= -2.89! USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -90:sc= -2.33! USER MOD Single : A 100 THR OG1 : rot -124:sc= -0.172 USER MOD Single : A 101 MET CE :methyl -165:sc= -0.0573 (180deg=-0.378) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.187 -14.392 -4.318 1.00 0.00 N ATOM 67 CA PRO A 8 -4.497 -13.777 -4.550 1.00 0.00 C ATOM 68 C PRO A 8 -4.609 -13.157 -5.939 1.00 0.00 C ATOM 69 O PRO A 8 -3.624 -12.667 -6.491 1.00 0.00 O ATOM 70 CB PRO A 8 -4.575 -12.692 -3.473 1.00 0.00 C ATOM 71 CG PRO A 8 -3.156 -12.361 -3.165 1.00 0.00 C ATOM 72 CD PRO A 8 -2.385 -13.641 -3.337 1.00 0.00 C ATOM 0 HA PRO A 8 -5.305 -14.507 -4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.117 -11.817 -3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.099 -13.051 -2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.782 -11.587 -3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.056 -11.979 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.375 -13.456 -3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.290 -14.183 -2.396 1.00 0.00 H new ATOM 80 N SER A 9 -5.815 -13.183 -6.498 1.00 0.00 N ATOM 81 CA SER A 9 -6.054 -12.627 -7.824 1.00 0.00 C ATOM 82 C SER A 9 -6.758 -11.277 -7.728 1.00 0.00 C ATOM 83 O SER A 9 -6.925 -10.578 -8.727 1.00 0.00 O ATOM 84 CB SER A 9 -6.893 -13.594 -8.662 1.00 0.00 C ATOM 85 OG SER A 9 -6.134 -14.728 -9.043 1.00 0.00 O ATOM 0 H SER A 9 -6.641 -13.583 -6.053 1.00 0.00 H new ATOM 0 HA SER A 9 -5.089 -12.480 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.766 -13.911 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.262 -13.084 -9.552 1.00 0.00 H new ATOM 0 HG SER A 9 -6.693 -15.332 -9.576 1.00 0.00 H new ATOM 91 N GLY A 10 -7.171 -10.916 -6.516 1.00 0.00 N ATOM 92 CA GLY A 10 -7.852 -9.651 -6.311 1.00 0.00 C ATOM 93 C GLY A 10 -7.116 -8.746 -5.344 1.00 0.00 C ATOM 94 O GLY A 10 -6.300 -9.210 -4.546 1.00 0.00 O ATOM 0 H GLY A 10 -7.046 -11.477 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.962 -9.142 -7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.857 -9.840 -5.934 1.00 0.00 H new ATOM 98 N PHE A 11 -7.401 -7.450 -5.415 1.00 0.00 N ATOM 99 CA PHE A 11 -6.757 -6.477 -4.540 1.00 0.00 C ATOM 100 C PHE A 11 -7.769 -5.854 -3.582 1.00 0.00 C ATOM 101 O PHE A 11 -8.974 -5.845 -3.832 1.00 0.00 O ATOM 102 CB PHE A 11 -6.083 -5.382 -5.370 1.00 0.00 C ATOM 103 CG PHE A 11 -6.889 -4.949 -6.560 1.00 0.00 C ATOM 104 CD1 PHE A 11 -6.838 -5.665 -7.746 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.699 -3.827 -6.494 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.579 -5.268 -8.843 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.442 -3.426 -7.588 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.383 -4.148 -8.764 1.00 0.00 C ATOM 0 H PHE A 11 -8.073 -7.049 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.000 -6.997 -3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.897 -4.517 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.112 -5.741 -5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.212 -6.543 -7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.750 -3.259 -5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.529 -5.834 -9.762 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.068 -2.549 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.964 -3.837 -9.620 1.00 0.00 H new ATOM 118 N PRO A 12 -7.267 -5.321 -2.458 1.00 0.00 N ATOM 119 CA PRO A 12 -8.109 -4.686 -1.439 1.00 0.00 C ATOM 120 C PRO A 12 -8.702 -3.365 -1.918 1.00 0.00 C ATOM 121 O PRO A 12 -8.337 -2.859 -2.979 1.00 0.00 O ATOM 122 CB PRO A 12 -7.141 -4.448 -0.278 1.00 0.00 C ATOM 123 CG PRO A 12 -5.797 -4.365 -0.915 1.00 0.00 C ATOM 124 CD PRO A 12 -5.841 -5.296 -2.095 1.00 0.00 C ATOM 0 HA PRO A 12 -8.968 -5.304 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.383 -3.530 0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.186 -5.260 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.577 -3.345 -1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.014 -4.658 -0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.224 -4.933 -2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.475 -6.290 -1.837 1.00 0.00 H new ATOM 132 N GLN A 13 -9.616 -2.811 -1.129 1.00 0.00 N ATOM 133 CA GLN A 13 -10.259 -1.549 -1.473 1.00 0.00 C ATOM 134 C GLN A 13 -10.219 -0.579 -0.297 1.00 0.00 C ATOM 135 O GLN A 13 -9.621 -0.868 0.738 1.00 0.00 O ATOM 136 CB GLN A 13 -11.708 -1.790 -1.901 1.00 0.00 C ATOM 137 CG GLN A 13 -11.899 -3.060 -2.715 1.00 0.00 C ATOM 138 CD GLN A 13 -11.668 -2.843 -4.197 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.238 -1.770 -4.620 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.954 -3.864 -4.997 1.00 0.00 N ATOM 0 H GLN A 13 -9.928 -3.216 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.711 -1.106 -2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.337 -1.840 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.052 -0.938 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.213 -3.826 -2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.910 -3.438 -2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.308 -4.736 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.819 -3.776 -6.004 1.00 0.00 H new ATOM 149 N ASN A 14 -10.859 0.574 -0.465 1.00 0.00 N ATOM 150 CA ASN A 14 -10.895 1.588 0.582 1.00 0.00 C ATOM 151 C ASN A 14 -9.493 2.107 0.886 1.00 0.00 C ATOM 152 O ASN A 14 -9.219 2.579 1.990 1.00 0.00 O ATOM 153 CB ASN A 14 -11.525 1.015 1.854 1.00 0.00 C ATOM 154 CG ASN A 14 -13.028 1.211 1.892 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.566 1.788 2.837 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.714 0.728 0.862 1.00 0.00 N ATOM 0 H ASN A 14 -11.360 0.829 -1.316 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.502 2.420 0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.298 -0.049 1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.077 1.492 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.729 0.828 0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.226 0.257 0.100 1.00 0.00 H new ATOM 163 N LEU A 15 -8.608 2.017 -0.101 1.00 0.00 N ATOM 164 CA LEU A 15 -7.233 2.478 0.059 1.00 0.00 C ATOM 165 C LEU A 15 -7.161 4.001 0.013 1.00 0.00 C ATOM 166 O LEU A 15 -7.473 4.617 -1.006 1.00 0.00 O ATOM 167 CB LEU A 15 -6.344 1.881 -1.033 1.00 0.00 C ATOM 168 CG LEU A 15 -4.836 2.011 -0.816 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.401 1.212 0.403 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.078 1.554 -2.054 1.00 0.00 C ATOM 0 H LEU A 15 -8.818 1.629 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.875 2.145 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.587 0.823 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.597 2.357 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.603 3.061 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.325 1.317 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.919 1.586 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.647 0.160 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.006 1.653 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.317 0.511 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.367 2.170 -2.906 1.00 0.00 H new ATOM 182 N HIS A 16 -6.744 4.602 1.123 1.00 0.00 N ATOM 183 CA HIS A 16 -6.628 6.053 1.209 1.00 0.00 C ATOM 184 C HIS A 16 -5.857 6.463 2.461 1.00 0.00 C ATOM 185 O HIS A 16 -5.402 5.615 3.228 1.00 0.00 O ATOM 186 CB HIS A 16 -8.014 6.698 1.216 1.00 0.00 C ATOM 187 CG HIS A 16 -8.976 6.041 2.157 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.966 5.176 1.740 1.00 0.00 N ATOM 189 CD2 HIS A 16 -9.094 6.125 3.503 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.652 4.758 2.789 1.00 0.00 C ATOM 191 NE2 HIS A 16 -10.144 5.319 3.871 1.00 0.00 N ATOM 0 H HIS A 16 -6.481 4.107 1.975 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.079 6.401 0.334 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.915 7.749 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.426 6.666 0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.477 6.716 4.164 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.487 4.073 2.765 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.477 5.177 4.825 1.00 0.00 H new ATOM 200 N VAL A 17 -5.714 7.769 2.660 1.00 0.00 N ATOM 201 CA VAL A 17 -5.000 8.292 3.819 1.00 0.00 C ATOM 202 C VAL A 17 -5.964 8.895 4.834 1.00 0.00 C ATOM 203 O VAL A 17 -6.860 9.662 4.478 1.00 0.00 O ATOM 204 CB VAL A 17 -3.970 9.362 3.407 1.00 0.00 C ATOM 205 CG1 VAL A 17 -3.183 9.839 4.618 1.00 0.00 C ATOM 206 CG2 VAL A 17 -3.038 8.818 2.335 1.00 0.00 C ATOM 0 H VAL A 17 -6.083 8.485 2.034 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.478 7.451 4.275 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.505 10.216 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.461 10.594 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.867 10.270 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.657 8.996 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.317 9.586 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.509 7.947 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.620 8.530 1.459 1.00 0.00 H new ATOM 216 N THR A 18 -5.776 8.543 6.102 1.00 0.00 N ATOM 217 CA THR A 18 -6.629 9.049 7.170 1.00 0.00 C ATOM 218 C THR A 18 -5.985 10.238 7.872 1.00 0.00 C ATOM 219 O THR A 18 -6.621 10.914 8.680 1.00 0.00 O ATOM 220 CB THR A 18 -6.933 7.955 8.212 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.839 8.458 9.200 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.654 7.478 8.884 1.00 0.00 C ATOM 0 H THR A 18 -5.040 7.909 6.414 1.00 0.00 H new ATOM 0 HA THR A 18 -7.562 9.367 6.705 1.00 0.00 H new ATOM 0 HB THR A 18 -7.391 7.110 7.697 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.729 9.428 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.893 6.706 9.615 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.979 7.069 8.132 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.172 8.317 9.386 1.00 0.00 H new ATOM 230 N GLY A 19 -4.717 10.490 7.558 1.00 0.00 N ATOM 231 CA GLY A 19 -4.008 11.600 8.168 1.00 0.00 C ATOM 232 C GLY A 19 -2.549 11.650 7.760 1.00 0.00 C ATOM 233 O GLY A 19 -1.672 11.219 8.510 1.00 0.00 O ATOM 0 H GLY A 19 -4.169 9.945 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.493 12.535 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.076 11.519 9.253 1.00 0.00 H new ATOM 237 N LEU A 20 -2.288 12.175 6.568 1.00 0.00 N ATOM 238 CA LEU A 20 -0.924 12.279 6.060 1.00 0.00 C ATOM 239 C LEU A 20 -0.105 13.258 6.895 1.00 0.00 C ATOM 240 O LEU A 20 -0.632 13.923 7.788 1.00 0.00 O ATOM 241 CB LEU A 20 -0.937 12.725 4.597 1.00 0.00 C ATOM 242 CG LEU A 20 -0.876 14.233 4.354 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.316 14.564 2.937 1.00 0.00 C ATOM 244 CD2 LEU A 20 -1.737 14.972 5.368 1.00 0.00 C ATOM 0 H LEU A 20 -3.002 12.535 5.935 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.460 11.295 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.091 12.261 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.842 12.338 4.128 1.00 0.00 H new ATOM 0 HG LEU A 20 0.157 14.560 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.266 15.642 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.658 14.065 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.340 14.223 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.681 16.044 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.771 14.641 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.376 14.761 6.375 1.00 0.00 H new ATOM 256 N THR A 21 1.188 13.344 6.598 1.00 0.00 N ATOM 257 CA THR A 21 2.080 14.242 7.320 1.00 0.00 C ATOM 258 C THR A 21 3.174 14.781 6.406 1.00 0.00 C ATOM 259 O THR A 21 3.554 14.138 5.427 1.00 0.00 O ATOM 260 CB THR A 21 2.734 13.537 8.523 1.00 0.00 C ATOM 261 OG1 THR A 21 1.848 12.542 9.048 1.00 0.00 O ATOM 262 CG2 THR A 21 3.081 14.540 9.614 1.00 0.00 C ATOM 0 H THR A 21 1.641 12.802 5.862 1.00 0.00 H new ATOM 0 HA THR A 21 1.470 15.070 7.681 1.00 0.00 H new ATOM 0 HB THR A 21 3.654 13.061 8.182 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.368 11.853 9.513 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.542 14.019 10.454 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.777 15.280 9.220 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.173 15.040 9.951 1.00 0.00 H new ATOM 270 N THR A 22 3.680 15.967 6.731 1.00 0.00 N ATOM 271 CA THR A 22 4.731 16.594 5.939 1.00 0.00 C ATOM 272 C THR A 22 5.783 15.574 5.517 1.00 0.00 C ATOM 273 O THR A 22 6.162 15.507 4.348 1.00 0.00 O ATOM 274 CB THR A 22 5.418 17.732 6.717 1.00 0.00 C ATOM 275 OG1 THR A 22 5.999 17.220 7.922 1.00 0.00 O ATOM 276 CG2 THR A 22 4.425 18.833 7.055 1.00 0.00 C ATOM 0 H THR A 22 3.378 16.513 7.538 1.00 0.00 H new ATOM 0 HA THR A 22 4.254 17.008 5.051 1.00 0.00 H new ATOM 0 HB THR A 22 6.201 18.153 6.086 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.435 17.949 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.933 19.625 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.006 19.240 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.623 18.423 7.669 1.00 0.00 H new ATOM 284 N SER A 23 6.250 14.781 6.476 1.00 0.00 N ATOM 285 CA SER A 23 7.261 13.766 6.203 1.00 0.00 C ATOM 286 C SER A 23 6.636 12.376 6.156 1.00 0.00 C ATOM 287 O SER A 23 6.930 11.579 5.265 1.00 0.00 O ATOM 288 CB SER A 23 8.357 13.810 7.270 1.00 0.00 C ATOM 289 OG SER A 23 7.842 14.251 8.514 1.00 0.00 O ATOM 0 H SER A 23 5.945 14.822 7.448 1.00 0.00 H new ATOM 0 HA SER A 23 7.702 13.979 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.796 12.819 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.156 14.477 6.947 1.00 0.00 H new ATOM 0 HG SER A 23 8.562 14.268 9.179 1.00 0.00 H new ATOM 295 N THR A 24 5.770 12.090 7.124 1.00 0.00 N ATOM 296 CA THR A 24 5.103 10.796 7.195 1.00 0.00 C ATOM 297 C THR A 24 3.727 10.850 6.542 1.00 0.00 C ATOM 298 O THR A 24 3.179 11.928 6.311 1.00 0.00 O ATOM 299 CB THR A 24 4.949 10.323 8.653 1.00 0.00 C ATOM 300 OG1 THR A 24 3.873 11.025 9.285 1.00 0.00 O ATOM 301 CG2 THR A 24 6.236 10.547 9.434 1.00 0.00 C ATOM 0 H THR A 24 5.514 12.738 7.869 1.00 0.00 H new ATOM 0 HA THR A 24 5.730 10.087 6.655 1.00 0.00 H new ATOM 0 HB THR A 24 4.730 9.255 8.644 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.781 10.717 10.211 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.103 10.205 10.460 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.047 9.987 8.968 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.481 11.609 9.434 1.00 0.00 H new ATOM 309 N THR A 25 3.171 9.679 6.247 1.00 0.00 N ATOM 310 CA THR A 25 1.858 9.593 5.620 1.00 0.00 C ATOM 311 C THR A 25 1.082 8.385 6.133 1.00 0.00 C ATOM 312 O THR A 25 1.512 7.244 5.969 1.00 0.00 O ATOM 313 CB THR A 25 1.973 9.501 4.086 1.00 0.00 C ATOM 314 OG1 THR A 25 2.185 10.805 3.532 1.00 0.00 O ATOM 315 CG2 THR A 25 0.717 8.888 3.485 1.00 0.00 C ATOM 0 H THR A 25 3.610 8.777 6.432 1.00 0.00 H new ATOM 0 HA THR A 25 1.322 10.505 5.883 1.00 0.00 H new ATOM 0 HB THR A 25 2.822 8.861 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.442 11.426 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.821 8.833 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.574 7.885 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.145 9.506 3.736 1.00 0.00 H new ATOM 323 N GLU A 26 -0.065 8.645 6.754 1.00 0.00 N ATOM 324 CA GLU A 26 -0.900 7.577 7.291 1.00 0.00 C ATOM 325 C GLU A 26 -1.705 6.906 6.182 1.00 0.00 C ATOM 326 O GLU A 26 -1.857 7.456 5.089 1.00 0.00 O ATOM 327 CB GLU A 26 -1.846 8.128 8.360 1.00 0.00 C ATOM 328 CG GLU A 26 -1.153 8.463 9.671 1.00 0.00 C ATOM 329 CD GLU A 26 -2.117 8.530 10.839 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.084 7.740 10.858 1.00 0.00 O ATOM 331 OE2 GLU A 26 -1.903 9.373 11.736 1.00 0.00 O ATOM 0 H GLU A 26 -0.436 9.584 6.897 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.246 6.832 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.332 9.025 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.631 7.397 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.390 7.712 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.640 9.420 9.573 1.00 0.00 H new ATOM 338 N LEU A 27 -2.220 5.716 6.469 1.00 0.00 N ATOM 339 CA LEU A 27 -3.009 4.968 5.497 1.00 0.00 C ATOM 340 C LEU A 27 -4.099 4.157 6.189 1.00 0.00 C ATOM 341 O LEU A 27 -4.058 3.951 7.401 1.00 0.00 O ATOM 342 CB LEU A 27 -2.106 4.040 4.682 1.00 0.00 C ATOM 343 CG LEU A 27 -0.914 4.702 3.990 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.032 3.654 3.329 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.390 5.723 2.967 1.00 0.00 C ATOM 0 H LEU A 27 -2.105 5.248 7.368 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.485 5.683 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.729 3.260 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.714 3.548 3.923 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.323 5.222 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.811 4.143 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.338 2.961 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.612 3.106 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.528 6.184 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.004 5.226 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.980 6.491 3.467 1.00 0.00 H new ATOM 357 N ALA A 28 -5.073 3.697 5.410 1.00 0.00 N ATOM 358 CA ALA A 28 -6.172 2.904 5.947 1.00 0.00 C ATOM 359 C ALA A 28 -7.002 2.286 4.827 1.00 0.00 C ATOM 360 O ALA A 28 -7.752 2.982 4.142 1.00 0.00 O ATOM 361 CB ALA A 28 -7.050 3.761 6.847 1.00 0.00 C ATOM 0 H ALA A 28 -5.123 3.860 4.404 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.747 2.093 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.867 3.156 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.455 4.149 7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.459 4.592 6.272 1.00 0.00 H new ATOM 367 N TRP A 29 -6.862 0.978 4.646 1.00 0.00 N ATOM 368 CA TRP A 29 -7.600 0.267 3.608 1.00 0.00 C ATOM 369 C TRP A 29 -8.368 -0.911 4.196 1.00 0.00 C ATOM 370 O TRP A 29 -8.371 -1.119 5.409 1.00 0.00 O ATOM 371 CB TRP A 29 -6.644 -0.223 2.519 1.00 0.00 C ATOM 372 CG TRP A 29 -5.611 -1.185 3.025 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.700 -2.547 3.044 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.336 -0.856 3.586 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.556 -3.085 3.583 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.703 -2.069 3.922 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.665 0.345 3.834 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.435 -2.113 4.495 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.406 0.300 4.402 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.802 -0.922 4.727 1.00 0.00 C ATOM 0 H TRP A 29 -6.245 0.388 5.204 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.317 0.960 3.167 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.221 -0.703 1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.143 0.636 2.072 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.545 -3.118 2.688 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.372 -4.080 3.710 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.122 1.291 3.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.968 -3.053 4.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.879 1.222 4.599 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.817 -0.924 5.170 1.00 0.00 H new ATOM 391 N ASP A 30 -9.018 -1.680 3.329 1.00 0.00 N ATOM 392 CA ASP A 30 -9.789 -2.840 3.763 1.00 0.00 C ATOM 393 C ASP A 30 -9.349 -4.095 3.016 1.00 0.00 C ATOM 394 O ASP A 30 -8.700 -4.031 1.972 1.00 0.00 O ATOM 395 CB ASP A 30 -11.282 -2.597 3.542 1.00 0.00 C ATOM 396 CG ASP A 30 -11.958 -1.998 4.760 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.730 -0.802 5.038 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.715 -2.726 5.436 1.00 0.00 O ATOM 0 H ASP A 30 -9.026 -1.521 2.321 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.607 -2.990 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.416 -1.930 2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.767 -3.540 3.288 1.00 0.00 H new ATOM 403 N PRO A 31 -9.709 -5.266 3.563 1.00 0.00 N ATOM 404 CA PRO A 31 -9.362 -6.558 2.966 1.00 0.00 C ATOM 405 C PRO A 31 -10.119 -6.820 1.668 1.00 0.00 C ATOM 406 O PRO A 31 -11.134 -6.188 1.376 1.00 0.00 O ATOM 407 CB PRO A 31 -9.776 -7.568 4.039 1.00 0.00 C ATOM 408 CG PRO A 31 -10.842 -6.878 4.817 1.00 0.00 C ATOM 409 CD PRO A 31 -10.483 -5.417 4.806 1.00 0.00 C ATOM 0 HA PRO A 31 -8.307 -6.611 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.146 -8.491 3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.933 -7.838 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.821 -7.043 4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.891 -7.260 5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.371 -4.785 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.895 -5.141 5.682 1.00 0.00 H new ATOM 417 N PRO A 32 -9.616 -7.773 0.870 1.00 0.00 N ATOM 418 CA PRO A 32 -10.231 -8.140 -0.409 1.00 0.00 C ATOM 419 C PRO A 32 -11.564 -8.859 -0.227 1.00 0.00 C ATOM 420 O PRO A 32 -11.659 -9.831 0.522 1.00 0.00 O ATOM 421 CB PRO A 32 -9.200 -9.079 -1.042 1.00 0.00 C ATOM 422 CG PRO A 32 -8.449 -9.648 0.111 1.00 0.00 C ATOM 423 CD PRO A 32 -8.409 -8.567 1.155 1.00 0.00 C ATOM 0 HA PRO A 32 -10.461 -7.264 -1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.684 -9.863 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.537 -8.541 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.941 -10.542 0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.442 -9.941 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.429 -8.981 2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.504 -7.965 1.076 1.00 0.00 H new ATOM 560 N ILE A 41 -5.763 -14.391 3.874 1.00 0.00 N ATOM 561 CA ILE A 41 -4.785 -13.312 3.925 1.00 0.00 C ATOM 562 C ILE A 41 -3.848 -13.475 5.116 1.00 0.00 C ATOM 563 O ILE A 41 -4.238 -14.002 6.158 1.00 0.00 O ATOM 564 CB ILE A 41 -5.470 -11.935 4.009 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.557 -11.815 2.939 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.443 -10.823 3.856 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.083 -12.190 1.552 1.00 0.00 C ATOM 0 HA ILE A 41 -4.208 -13.366 3.002 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.939 -11.838 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.397 -12.454 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.928 -10.790 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.942 -9.856 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.702 -10.900 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.948 -10.915 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.905 -12.081 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.263 -11.535 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.739 -13.224 1.552 1.00 0.00 H new ATOM 579 N ILE A 42 -2.610 -13.017 4.956 1.00 0.00 N ATOM 580 CA ILE A 42 -1.618 -13.110 6.020 1.00 0.00 C ATOM 581 C ILE A 42 -1.018 -11.743 6.332 1.00 0.00 C ATOM 582 O ILE A 42 -0.707 -11.438 7.483 1.00 0.00 O ATOM 583 CB ILE A 42 -0.485 -14.084 5.649 1.00 0.00 C ATOM 584 CG1 ILE A 42 -0.135 -13.953 4.165 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.885 -15.513 5.980 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.102 -14.727 3.765 1.00 0.00 C ATOM 0 H ILE A 42 -2.271 -12.578 4.100 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.135 -13.487 6.902 1.00 0.00 H new ATOM 0 HB ILE A 42 0.398 -13.830 6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.979 -14.300 3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.012 -12.900 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.073 -16.189 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.089 -15.596 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.780 -15.780 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.290 -14.588 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.958 -14.365 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.951 -15.787 3.972 1.00 0.00 H new ATOM 598 N SER A 43 -0.859 -10.923 5.298 1.00 0.00 N ATOM 599 CA SER A 43 -0.294 -9.588 5.461 1.00 0.00 C ATOM 600 C SER A 43 -0.404 -8.790 4.166 1.00 0.00 C ATOM 601 O SER A 43 -0.897 -9.290 3.155 1.00 0.00 O ATOM 602 CB SER A 43 1.170 -9.681 5.894 1.00 0.00 C ATOM 603 OG SER A 43 1.975 -10.216 4.857 1.00 0.00 O ATOM 0 H SER A 43 -1.113 -11.159 4.339 1.00 0.00 H new ATOM 0 HA SER A 43 -0.862 -9.071 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.535 -8.691 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.251 -10.308 6.782 1.00 0.00 H new ATOM 0 HG SER A 43 2.907 -10.264 5.158 1.00 0.00 H new ATOM 609 N TYR A 44 0.059 -7.545 4.204 1.00 0.00 N ATOM 610 CA TYR A 44 0.011 -6.675 3.035 1.00 0.00 C ATOM 611 C TYR A 44 1.330 -5.929 2.857 1.00 0.00 C ATOM 612 O TYR A 44 2.086 -5.743 3.811 1.00 0.00 O ATOM 613 CB TYR A 44 -1.140 -5.676 3.164 1.00 0.00 C ATOM 614 CG TYR A 44 -2.503 -6.327 3.223 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.891 -7.074 4.328 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.404 -6.193 2.174 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.135 -7.671 4.386 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.652 -6.785 2.223 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.012 -7.524 3.331 1.00 0.00 C ATOM 620 OH TYR A 44 -6.253 -8.116 3.386 1.00 0.00 O ATOM 0 H TYR A 44 0.472 -7.116 5.032 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.155 -7.298 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.993 -5.079 4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.111 -4.990 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.208 -7.190 5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.124 -5.616 1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.420 -8.250 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.341 -6.670 1.399 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.804 -7.659 4.055 1.00 0.00 H new ATOM 630 N THR A 45 1.599 -5.503 1.627 1.00 0.00 N ATOM 631 CA THR A 45 2.826 -4.778 1.321 1.00 0.00 C ATOM 632 C THR A 45 2.521 -3.375 0.807 1.00 0.00 C ATOM 633 O THR A 45 2.080 -3.201 -0.329 1.00 0.00 O ATOM 634 CB THR A 45 3.673 -5.523 0.273 1.00 0.00 C ATOM 635 OG1 THR A 45 4.018 -6.825 0.759 1.00 0.00 O ATOM 636 CG2 THR A 45 4.939 -4.746 -0.052 1.00 0.00 C ATOM 0 H THR A 45 0.984 -5.648 0.826 1.00 0.00 H new ATOM 0 HA THR A 45 3.392 -4.708 2.250 1.00 0.00 H new ATOM 0 HB THR A 45 3.082 -5.620 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.042 -7.458 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.521 -5.292 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.673 -3.766 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.532 -4.622 0.854 1.00 0.00 H new ATOM 644 N VAL A 46 2.761 -2.376 1.650 1.00 0.00 N ATOM 645 CA VAL A 46 2.514 -0.987 1.280 1.00 0.00 C ATOM 646 C VAL A 46 3.675 -0.419 0.472 1.00 0.00 C ATOM 647 O VAL A 46 4.684 0.010 1.031 1.00 0.00 O ATOM 648 CB VAL A 46 2.289 -0.106 2.524 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.133 1.353 2.123 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.075 -0.587 3.304 1.00 0.00 C ATOM 0 H VAL A 46 3.126 -2.502 2.594 1.00 0.00 H new ATOM 0 HA VAL A 46 1.611 -0.978 0.669 1.00 0.00 H new ATOM 0 HB VAL A 46 3.163 -0.188 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.975 1.960 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.035 1.688 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.277 1.458 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.931 0.046 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.191 -0.535 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.233 -1.617 3.624 1.00 0.00 H new ATOM 660 N VAL A 47 3.525 -0.419 -0.849 1.00 0.00 N ATOM 661 CA VAL A 47 4.560 0.098 -1.736 1.00 0.00 C ATOM 662 C VAL A 47 4.347 1.580 -2.025 1.00 0.00 C ATOM 663 O VAL A 47 3.360 1.965 -2.652 1.00 0.00 O ATOM 664 CB VAL A 47 4.594 -0.674 -3.069 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.681 -0.121 -3.978 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.802 -2.160 -2.818 1.00 0.00 C ATOM 0 H VAL A 47 2.696 -0.771 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 47 5.512 -0.036 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 47 3.634 -0.544 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.690 -0.678 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.483 0.931 -4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.650 -0.219 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.823 -2.690 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.747 -2.312 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.985 -2.544 -2.207 1.00 0.00 H new ATOM 676 N PHE A 48 5.280 2.407 -1.563 1.00 0.00 N ATOM 677 CA PHE A 48 5.194 3.847 -1.771 1.00 0.00 C ATOM 678 C PHE A 48 6.409 4.359 -2.540 1.00 0.00 C ATOM 679 O PHE A 48 7.532 3.903 -2.322 1.00 0.00 O ATOM 680 CB PHE A 48 5.084 4.572 -0.428 1.00 0.00 C ATOM 681 CG PHE A 48 6.236 4.301 0.496 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.355 3.077 1.134 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.200 5.269 0.726 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.414 2.824 1.986 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.261 5.022 1.577 1.00 0.00 C ATOM 686 CZ PHE A 48 8.369 3.798 2.206 1.00 0.00 C ATOM 0 H PHE A 48 6.103 2.104 -1.043 1.00 0.00 H new ATOM 0 HA PHE A 48 4.300 4.051 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.018 5.645 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.157 4.273 0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.612 2.312 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.122 6.228 0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.495 1.866 2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.005 5.786 1.750 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.199 3.602 2.869 1.00 0.00 H new ATOM 696 N ARG A 49 6.175 5.308 -3.440 1.00 0.00 N ATOM 697 CA ARG A 49 7.249 5.881 -4.243 1.00 0.00 C ATOM 698 C ARG A 49 6.854 7.254 -4.779 1.00 0.00 C ATOM 699 O ARG A 49 5.720 7.459 -5.213 1.00 0.00 O ATOM 700 CB ARG A 49 7.599 4.949 -5.404 1.00 0.00 C ATOM 701 CG ARG A 49 8.568 5.559 -6.404 1.00 0.00 C ATOM 702 CD ARG A 49 8.609 4.762 -7.698 1.00 0.00 C ATOM 703 NE ARG A 49 7.307 4.725 -8.360 1.00 0.00 N ATOM 704 CZ ARG A 49 7.147 4.465 -9.652 1.00 0.00 C ATOM 705 NH1 ARG A 49 8.201 4.219 -10.418 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.930 4.449 -10.181 1.00 0.00 N ATOM 0 H ARG A 49 5.252 5.697 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 49 8.124 5.998 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.032 4.032 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.682 4.669 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.273 6.586 -6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.566 5.598 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.345 5.201 -8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.937 3.744 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 49 6.475 4.909 -7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.138 4.229 -10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.075 4.020 -11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.117 4.637 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.808 4.249 -11.174 1.00 0.00 H new ATOM 720 N ASP A 50 7.796 8.190 -4.746 1.00 0.00 N ATOM 721 CA ASP A 50 7.547 9.543 -5.229 1.00 0.00 C ATOM 722 C ASP A 50 7.480 9.572 -6.753 1.00 0.00 C ATOM 723 O ASP A 50 8.473 9.309 -7.432 1.00 0.00 O ATOM 724 CB ASP A 50 8.640 10.493 -4.736 1.00 0.00 C ATOM 725 CG ASP A 50 8.595 11.838 -5.433 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.487 12.275 -5.807 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.668 12.454 -5.604 1.00 0.00 O ATOM 0 H ASP A 50 8.739 8.037 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 50 6.586 9.872 -4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.532 10.640 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.616 10.035 -4.899 1.00 0.00 H new ATOM 732 N ILE A 51 6.305 9.893 -7.282 1.00 0.00 N ATOM 733 CA ILE A 51 6.109 9.956 -8.725 1.00 0.00 C ATOM 734 C ILE A 51 7.003 11.019 -9.355 1.00 0.00 C ATOM 735 O ILE A 51 7.095 11.122 -10.577 1.00 0.00 O ATOM 736 CB ILE A 51 4.642 10.259 -9.082 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.233 11.627 -8.532 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.729 9.170 -8.539 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.973 12.180 -9.163 1.00 0.00 C ATOM 0 H ILE A 51 5.474 10.114 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 51 6.376 8.977 -9.122 1.00 0.00 H new ATOM 0 HB ILE A 51 4.544 10.280 -10.167 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.086 11.547 -7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.049 12.332 -8.691 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.695 9.398 -8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.009 8.210 -8.973 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.827 9.120 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.743 13.151 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.123 12.292 -10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.145 11.495 -8.982 1.00 0.00 H new ATOM 751 N ASN A 52 7.663 11.806 -8.511 1.00 0.00 N ATOM 752 CA ASN A 52 8.551 12.860 -8.985 1.00 0.00 C ATOM 753 C ASN A 52 10.012 12.433 -8.871 1.00 0.00 C ATOM 754 O ASN A 52 10.914 13.149 -9.305 1.00 0.00 O ATOM 755 CB ASN A 52 8.321 14.146 -8.189 1.00 0.00 C ATOM 756 CG ASN A 52 6.918 14.694 -8.369 1.00 0.00 C ATOM 757 OD1 ASN A 52 5.968 14.146 -7.620 1.00 0.00 O flip ATOM 758 ND2 ASN A 52 6.692 15.600 -9.171 1.00 0.00 N flip ATOM 0 H ASN A 52 7.599 11.733 -7.496 1.00 0.00 H new ATOM 0 HA ASN A 52 8.326 13.045 -10.035 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.500 13.952 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.045 14.898 -8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.453 15.991 -9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.744 15.959 -9.281 1.00 0.00 H new ATOM 765 N SER A 53 10.236 11.262 -8.283 1.00 0.00 N ATOM 766 CA SER A 53 11.586 10.740 -8.109 1.00 0.00 C ATOM 767 C SER A 53 11.673 9.291 -8.576 1.00 0.00 C ATOM 768 O SER A 53 10.668 8.686 -8.947 1.00 0.00 O ATOM 769 CB SER A 53 12.009 10.841 -6.642 1.00 0.00 C ATOM 770 OG SER A 53 12.642 12.081 -6.378 1.00 0.00 O ATOM 0 H SER A 53 9.500 10.657 -7.919 1.00 0.00 H new ATOM 0 HA SER A 53 12.262 11.340 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.135 10.731 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.688 10.024 -6.399 1.00 0.00 H new ATOM 0 HG SER A 53 11.977 12.726 -6.059 1.00 0.00 H new ATOM 776 N GLN A 54 12.883 8.740 -8.555 1.00 0.00 N ATOM 777 CA GLN A 54 13.102 7.362 -8.977 1.00 0.00 C ATOM 778 C GLN A 54 13.506 6.488 -7.794 1.00 0.00 C ATOM 779 O GLN A 54 14.306 5.564 -7.939 1.00 0.00 O ATOM 780 CB GLN A 54 14.180 7.304 -10.061 1.00 0.00 C ATOM 781 CG GLN A 54 13.658 7.614 -11.455 1.00 0.00 C ATOM 782 CD GLN A 54 14.708 8.254 -12.342 1.00 0.00 C ATOM 783 OE1 GLN A 54 15.828 7.755 -12.457 1.00 0.00 O ATOM 784 NE2 GLN A 54 14.351 9.365 -12.975 1.00 0.00 N ATOM 0 H GLN A 54 13.726 9.227 -8.250 1.00 0.00 H new ATOM 0 HA GLN A 54 12.166 6.980 -9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.972 8.011 -9.813 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.629 6.311 -10.063 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.307 6.693 -11.921 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.798 8.280 -11.377 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.412 9.744 -12.851 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.016 9.840 -13.586 1.00 0.00 H new ATOM 793 N GLN A 55 12.947 6.787 -6.626 1.00 0.00 N ATOM 794 CA GLN A 55 13.251 6.029 -5.418 1.00 0.00 C ATOM 795 C GLN A 55 12.046 5.204 -4.976 1.00 0.00 C ATOM 796 O GLN A 55 11.161 5.705 -4.284 1.00 0.00 O ATOM 797 CB GLN A 55 13.679 6.972 -4.293 1.00 0.00 C ATOM 798 CG GLN A 55 13.846 6.279 -2.949 1.00 0.00 C ATOM 799 CD GLN A 55 14.995 5.290 -2.942 1.00 0.00 C ATOM 800 OE1 GLN A 55 14.763 4.109 -3.503 1.00 0.00 O flip ATOM 801 NE2 GLN A 55 16.079 5.583 -2.437 1.00 0.00 N flip ATOM 0 H GLN A 55 12.282 7.548 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 55 14.072 5.348 -5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.621 7.447 -4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.938 7.766 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.012 7.029 -2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.922 5.759 -2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.214 6.502 -2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.842 4.906 -2.439 1.00 0.00 H new ATOM 810 N GLU A 56 12.021 3.938 -5.381 1.00 0.00 N ATOM 811 CA GLU A 56 10.924 3.045 -5.027 1.00 0.00 C ATOM 812 C GLU A 56 11.122 2.467 -3.628 1.00 0.00 C ATOM 813 O GLU A 56 12.239 2.120 -3.241 1.00 0.00 O ATOM 814 CB GLU A 56 10.810 1.912 -6.048 1.00 0.00 C ATOM 815 CG GLU A 56 9.523 1.112 -5.928 1.00 0.00 C ATOM 816 CD GLU A 56 9.388 0.059 -7.010 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.382 -0.647 -7.280 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.287 -0.060 -7.588 1.00 0.00 O ATOM 0 H GLU A 56 12.747 3.508 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 56 10.001 3.625 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.875 2.331 -7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.659 1.239 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.489 0.630 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.672 1.791 -5.978 1.00 0.00 H new ATOM 825 N LEU A 57 10.033 2.368 -2.876 1.00 0.00 N ATOM 826 CA LEU A 57 10.085 1.833 -1.520 1.00 0.00 C ATOM 827 C LEU A 57 8.773 1.147 -1.153 1.00 0.00 C ATOM 828 O LEU A 57 7.759 1.329 -1.826 1.00 0.00 O ATOM 829 CB LEU A 57 10.386 2.951 -0.520 1.00 0.00 C ATOM 830 CG LEU A 57 11.536 3.890 -0.888 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.372 5.232 -0.193 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.873 3.260 -0.528 1.00 0.00 C ATOM 0 H LEU A 57 9.102 2.651 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 57 10.884 1.093 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.483 3.548 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.609 2.497 0.446 1.00 0.00 H new ATOM 0 HG LEU A 57 11.514 4.057 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.199 5.887 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.431 5.688 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.368 5.084 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.680 3.941 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.906 3.063 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.992 2.323 -1.073 1.00 0.00 H new ATOM 844 N GLN A 58 8.801 0.361 -0.082 1.00 0.00 N ATOM 845 CA GLN A 58 7.613 -0.351 0.374 1.00 0.00 C ATOM 846 C GLN A 58 7.753 -0.762 1.836 1.00 0.00 C ATOM 847 O GLN A 58 8.809 -0.587 2.442 1.00 0.00 O ATOM 848 CB GLN A 58 7.368 -1.586 -0.495 1.00 0.00 C ATOM 849 CG GLN A 58 8.434 -2.659 -0.341 1.00 0.00 C ATOM 850 CD GLN A 58 8.558 -3.538 -1.570 1.00 0.00 C ATOM 851 OE1 GLN A 58 7.618 -3.662 -2.356 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.721 -4.155 -1.742 1.00 0.00 N ATOM 0 H GLN A 58 9.633 0.201 0.486 1.00 0.00 H new ATOM 0 HA GLN A 58 6.760 0.322 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.397 -2.011 -0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.320 -1.281 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.395 -2.185 -0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.197 -3.280 0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.473 -4.024 -1.065 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.862 -4.760 -2.551 1.00 0.00 H new ATOM 861 N ASN A 59 6.679 -1.310 2.396 1.00 0.00 N ATOM 862 CA ASN A 59 6.682 -1.745 3.788 1.00 0.00 C ATOM 863 C ASN A 59 5.786 -2.966 3.978 1.00 0.00 C ATOM 864 O ASN A 59 5.040 -3.347 3.075 1.00 0.00 O ATOM 865 CB ASN A 59 6.215 -0.609 4.701 1.00 0.00 C ATOM 866 CG ASN A 59 7.308 0.411 4.958 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.133 1.602 4.703 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.443 -0.054 5.466 1.00 0.00 N ATOM 0 H ASN A 59 5.797 -1.463 1.908 1.00 0.00 H new ATOM 0 HA ASN A 59 7.703 -2.020 4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.357 -0.112 4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.879 -1.025 5.651 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.214 0.585 5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.544 -1.050 5.662 1.00 0.00 H new ATOM 875 N ILE A 60 5.863 -3.572 5.158 1.00 0.00 N ATOM 876 CA ILE A 60 5.058 -4.747 5.467 1.00 0.00 C ATOM 877 C ILE A 60 4.410 -4.624 6.841 1.00 0.00 C ATOM 878 O ILE A 60 5.053 -4.217 7.810 1.00 0.00 O ATOM 879 CB ILE A 60 5.902 -6.035 5.423 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.620 -6.155 4.077 1.00 0.00 C ATOM 881 CG2 ILE A 60 5.024 -7.252 5.671 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.679 -7.235 4.052 1.00 0.00 C ATOM 0 H ILE A 60 6.475 -3.269 5.916 1.00 0.00 H new ATOM 0 HA ILE A 60 4.280 -4.806 4.706 1.00 0.00 H new ATOM 0 HB ILE A 60 6.653 -5.986 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.885 -6.360 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.082 -5.198 3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.635 -8.154 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.555 -7.168 6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.253 -7.307 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.146 -7.263 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.435 -7.020 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.219 -8.200 4.263 1.00 0.00 H new ATOM 894 N THR A 61 3.131 -4.979 6.921 1.00 0.00 N ATOM 895 CA THR A 61 2.395 -4.909 8.177 1.00 0.00 C ATOM 896 C THR A 61 1.249 -5.914 8.199 1.00 0.00 C ATOM 897 O THR A 61 0.601 -6.155 7.180 1.00 0.00 O ATOM 898 CB THR A 61 1.831 -3.497 8.419 1.00 0.00 C ATOM 899 OG1 THR A 61 1.133 -3.456 9.669 1.00 0.00 O ATOM 900 CG2 THR A 61 0.890 -3.090 7.295 1.00 0.00 C ATOM 0 H THR A 61 2.583 -5.318 6.130 1.00 0.00 H new ATOM 0 HA THR A 61 3.101 -5.151 8.972 1.00 0.00 H new ATOM 0 HB THR A 61 2.666 -2.796 8.445 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.779 -2.554 9.816 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.504 -2.089 7.488 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.431 -3.094 6.348 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.060 -3.795 7.242 1.00 0.00 H new ATOM 908 N THR A 62 1.001 -6.497 9.367 1.00 0.00 N ATOM 909 CA THR A 62 -0.068 -7.476 9.522 1.00 0.00 C ATOM 910 C THR A 62 -1.411 -6.792 9.751 1.00 0.00 C ATOM 911 O THR A 62 -2.351 -7.404 10.257 1.00 0.00 O ATOM 912 CB THR A 62 0.214 -8.435 10.694 1.00 0.00 C ATOM 913 OG1 THR A 62 0.341 -7.694 11.913 1.00 0.00 O ATOM 914 CG2 THR A 62 1.484 -9.234 10.446 1.00 0.00 C ATOM 0 H THR A 62 1.526 -6.308 10.221 1.00 0.00 H new ATOM 0 HA THR A 62 -0.109 -8.049 8.596 1.00 0.00 H new ATOM 0 HB THR A 62 -0.622 -9.129 10.776 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.518 -8.311 12.654 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.662 -9.904 11.287 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.373 -9.819 9.533 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.328 -8.552 10.340 1.00 0.00 H new ATOM 922 N ASP A 63 -1.493 -5.520 9.375 1.00 0.00 N ATOM 923 CA ASP A 63 -2.723 -4.753 9.539 1.00 0.00 C ATOM 924 C ASP A 63 -3.178 -4.167 8.206 1.00 0.00 C ATOM 925 O ASP A 63 -2.395 -4.062 7.261 1.00 0.00 O ATOM 926 CB ASP A 63 -2.519 -3.633 10.560 1.00 0.00 C ATOM 927 CG ASP A 63 -2.779 -4.091 11.981 1.00 0.00 C ATOM 928 OD1 ASP A 63 -1.911 -4.786 12.549 1.00 0.00 O ATOM 929 OD2 ASP A 63 -3.852 -3.755 12.526 1.00 0.00 O ATOM 0 H ASP A 63 -0.723 -4.999 8.955 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.498 -5.428 9.903 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.499 -3.257 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.184 -2.803 10.322 1.00 0.00 H new ATOM 934 N THR A 64 -4.450 -3.787 8.136 1.00 0.00 N ATOM 935 CA THR A 64 -5.011 -3.213 6.919 1.00 0.00 C ATOM 936 C THR A 64 -4.689 -1.727 6.813 1.00 0.00 C ATOM 937 O THR A 64 -5.342 -0.992 6.072 1.00 0.00 O ATOM 938 CB THR A 64 -6.539 -3.401 6.862 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.079 -3.428 8.188 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.899 -4.688 6.136 1.00 0.00 C ATOM 0 H THR A 64 -5.112 -3.866 8.908 1.00 0.00 H new ATOM 0 HA THR A 64 -4.556 -3.741 6.081 1.00 0.00 H new ATOM 0 HB THR A 64 -6.966 -2.562 6.313 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.051 -3.546 8.143 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.983 -4.799 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.512 -4.652 5.118 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.461 -5.537 6.661 1.00 0.00 H new ATOM 948 N ARG A 65 -3.677 -1.291 7.556 1.00 0.00 N ATOM 949 CA ARG A 65 -3.269 0.109 7.545 1.00 0.00 C ATOM 950 C ARG A 65 -1.754 0.234 7.684 1.00 0.00 C ATOM 951 O ARG A 65 -1.064 -0.742 7.979 1.00 0.00 O ATOM 952 CB ARG A 65 -3.960 0.873 8.676 1.00 0.00 C ATOM 953 CG ARG A 65 -3.640 0.334 10.061 1.00 0.00 C ATOM 954 CD ARG A 65 -3.761 1.416 11.122 1.00 0.00 C ATOM 955 NE ARG A 65 -5.133 1.558 11.604 1.00 0.00 N ATOM 956 CZ ARG A 65 -5.442 1.906 12.848 1.00 0.00 C ATOM 957 NH1 ARG A 65 -4.482 2.146 13.731 1.00 0.00 N ATOM 958 NH2 ARG A 65 -6.714 2.015 13.211 1.00 0.00 N ATOM 0 H ARG A 65 -3.125 -1.887 8.173 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.567 0.541 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.666 1.922 8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.038 0.836 8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.317 -0.487 10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.629 -0.074 10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.105 1.178 11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.421 2.367 10.711 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.895 1.380 10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.503 2.064 13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.722 2.413 14.686 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.455 1.831 12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.951 2.282 14.167 1.00 0.00 H new ATOM 972 N PHE A 66 -1.244 1.442 7.469 1.00 0.00 N ATOM 973 CA PHE A 66 0.189 1.695 7.568 1.00 0.00 C ATOM 974 C PHE A 66 0.485 3.189 7.473 1.00 0.00 C ATOM 975 O PHE A 66 -0.316 3.961 6.945 1.00 0.00 O ATOM 976 CB PHE A 66 0.939 0.944 6.466 1.00 0.00 C ATOM 977 CG PHE A 66 2.425 0.894 6.678 1.00 0.00 C ATOM 978 CD1 PHE A 66 2.992 -0.096 7.465 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.254 1.837 6.093 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.360 -0.145 7.662 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.622 1.792 6.287 1.00 0.00 C ATOM 982 CZ PHE A 66 5.175 0.801 7.073 1.00 0.00 C ATOM 0 H PHE A 66 -1.801 2.261 7.225 1.00 0.00 H new ATOM 0 HA PHE A 66 0.530 1.336 8.539 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.554 -0.074 6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.733 1.421 5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.359 -0.837 7.929 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.827 2.616 5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.790 -0.922 8.276 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.258 2.532 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.243 0.766 7.227 1.00 0.00 H new ATOM 992 N THR A 67 1.643 3.591 7.990 1.00 0.00 N ATOM 993 CA THR A 67 2.045 4.991 7.966 1.00 0.00 C ATOM 994 C THR A 67 3.460 5.147 7.422 1.00 0.00 C ATOM 995 O THR A 67 4.434 4.780 8.081 1.00 0.00 O ATOM 996 CB THR A 67 1.975 5.620 9.370 1.00 0.00 C ATOM 997 OG1 THR A 67 0.639 5.534 9.880 1.00 0.00 O ATOM 998 CG2 THR A 67 2.417 7.075 9.334 1.00 0.00 C ATOM 0 H THR A 67 2.318 2.966 8.430 1.00 0.00 H new ATOM 0 HA THR A 67 1.347 5.509 7.309 1.00 0.00 H new ATOM 0 HB THR A 67 2.649 5.068 10.025 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.604 5.935 10.774 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.359 7.498 10.337 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.444 7.134 8.974 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.765 7.637 8.665 1.00 0.00 H new ATOM 1006 N LEU A 68 3.568 5.695 6.216 1.00 0.00 N ATOM 1007 CA LEU A 68 4.867 5.900 5.583 1.00 0.00 C ATOM 1008 C LEU A 68 5.734 6.841 6.413 1.00 0.00 C ATOM 1009 O LEU A 68 5.290 7.383 7.425 1.00 0.00 O ATOM 1010 CB LEU A 68 4.685 6.466 4.173 1.00 0.00 C ATOM 1011 CG LEU A 68 4.113 5.503 3.132 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.493 4.069 3.466 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.601 5.649 3.043 1.00 0.00 C ATOM 0 H LEU A 68 2.773 6.005 5.657 1.00 0.00 H new ATOM 0 HA LEU A 68 5.369 4.935 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.030 7.335 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.653 6.821 3.818 1.00 0.00 H new ATOM 0 HG LEU A 68 4.539 5.754 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.077 3.398 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.579 3.973 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.096 3.806 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.212 4.956 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.156 5.426 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.350 6.670 2.755 1.00 0.00 H new ATOM 1025 N THR A 69 6.975 7.034 5.976 1.00 0.00 N ATOM 1026 CA THR A 69 7.905 7.910 6.677 1.00 0.00 C ATOM 1027 C THR A 69 9.053 8.334 5.768 1.00 0.00 C ATOM 1028 O THR A 69 9.242 7.775 4.688 1.00 0.00 O ATOM 1029 CB THR A 69 8.484 7.226 7.930 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.301 6.114 7.549 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.370 6.752 8.851 1.00 0.00 C ATOM 0 H THR A 69 7.359 6.595 5.139 1.00 0.00 H new ATOM 0 HA THR A 69 7.341 8.792 6.980 1.00 0.00 H new ATOM 0 HB THR A 69 9.092 7.955 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.666 5.686 8.352 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.803 6.272 9.729 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.768 7.606 9.164 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.739 6.038 8.321 1.00 0.00 H new ATOM 1039 N GLY A 70 9.818 9.327 6.212 1.00 0.00 N ATOM 1040 CA GLY A 70 10.938 9.808 5.425 1.00 0.00 C ATOM 1041 C GLY A 70 10.515 10.305 4.057 1.00 0.00 C ATOM 1042 O GLY A 70 11.128 9.959 3.046 1.00 0.00 O ATOM 0 H GLY A 70 9.682 9.806 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.436 10.615 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.666 9.006 5.307 1.00 0.00 H new ATOM 1046 N LEU A 71 9.464 11.117 4.023 1.00 0.00 N ATOM 1047 CA LEU A 71 8.958 11.661 2.768 1.00 0.00 C ATOM 1048 C LEU A 71 9.115 13.178 2.729 1.00 0.00 C ATOM 1049 O LEU A 71 9.316 13.818 3.761 1.00 0.00 O ATOM 1050 CB LEU A 71 7.487 11.284 2.582 1.00 0.00 C ATOM 1051 CG LEU A 71 7.082 9.895 3.077 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.570 9.792 3.201 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.617 8.819 2.142 1.00 0.00 C ATOM 0 H LEU A 71 8.946 11.413 4.850 1.00 0.00 H new ATOM 0 HA LEU A 71 9.542 11.233 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.875 12.024 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.246 11.354 1.521 1.00 0.00 H new ATOM 0 HG LEU A 71 7.518 9.741 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.301 8.797 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.211 10.538 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.112 9.967 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.319 7.837 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.210 8.971 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.705 8.878 2.104 1.00 0.00 H new ATOM 1065 N LYS A 72 9.020 13.747 1.532 1.00 0.00 N ATOM 1066 CA LYS A 72 9.147 15.189 1.357 1.00 0.00 C ATOM 1067 C LYS A 72 7.781 15.865 1.399 1.00 0.00 C ATOM 1068 O LYS A 72 6.796 15.363 0.856 1.00 0.00 O ATOM 1069 CB LYS A 72 9.843 15.503 0.031 1.00 0.00 C ATOM 1070 CG LYS A 72 10.558 16.843 0.022 1.00 0.00 C ATOM 1071 CD LYS A 72 11.417 17.009 -1.220 1.00 0.00 C ATOM 1072 CE LYS A 72 10.636 17.653 -2.355 1.00 0.00 C ATOM 1073 NZ LYS A 72 11.327 17.493 -3.665 1.00 0.00 N ATOM 0 H LYS A 72 8.855 13.231 0.668 1.00 0.00 H new ATOM 0 HA LYS A 72 9.750 15.578 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.563 14.715 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.104 15.490 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.825 17.648 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.182 16.929 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.287 17.621 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.789 16.035 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.643 17.207 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.498 18.714 -2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.763 17.945 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.265 17.941 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.437 16.481 -3.878 1.00 0.00 H new ATOM 1087 N PRO A 73 7.717 17.032 2.056 1.00 0.00 N ATOM 1088 CA PRO A 73 6.476 17.803 2.182 1.00 0.00 C ATOM 1089 C PRO A 73 6.036 18.414 0.856 1.00 0.00 C ATOM 1090 O PRO A 73 6.865 18.853 0.059 1.00 0.00 O ATOM 1091 CB PRO A 73 6.842 18.903 3.182 1.00 0.00 C ATOM 1092 CG PRO A 73 8.317 19.058 3.052 1.00 0.00 C ATOM 1093 CD PRO A 73 8.851 17.690 2.727 1.00 0.00 C ATOM 0 HA PRO A 73 5.640 17.180 2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.324 19.834 2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.561 18.624 4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.567 19.771 2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.752 19.437 3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.726 17.744 2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.153 17.152 3.626 1.00 0.00 H new ATOM 1101 N ASP A 74 4.728 18.439 0.627 1.00 0.00 N ATOM 1102 CA ASP A 74 4.178 18.997 -0.603 1.00 0.00 C ATOM 1103 C ASP A 74 4.697 18.243 -1.822 1.00 0.00 C ATOM 1104 O ASP A 74 5.131 18.848 -2.803 1.00 0.00 O ATOM 1105 CB ASP A 74 4.531 20.481 -0.717 1.00 0.00 C ATOM 1106 CG ASP A 74 3.859 21.147 -1.901 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.800 20.650 -2.339 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.391 22.165 -2.389 1.00 0.00 O ATOM 0 H ASP A 74 4.029 18.079 1.277 1.00 0.00 H new ATOM 0 HA ASP A 74 3.094 18.891 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.237 20.993 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.612 20.588 -0.809 1.00 0.00 H new ATOM 1113 N THR A 75 4.649 16.916 -1.756 1.00 0.00 N ATOM 1114 CA THR A 75 5.117 16.078 -2.853 1.00 0.00 C ATOM 1115 C THR A 75 4.272 14.816 -2.979 1.00 0.00 C ATOM 1116 O THR A 75 4.040 14.109 -1.997 1.00 0.00 O ATOM 1117 CB THR A 75 6.592 15.678 -2.665 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.431 16.834 -2.771 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.009 14.646 -3.702 1.00 0.00 C ATOM 0 H THR A 75 4.290 16.398 -0.954 1.00 0.00 H new ATOM 0 HA THR A 75 5.022 16.668 -3.764 1.00 0.00 H new ATOM 0 HB THR A 75 6.703 15.239 -1.673 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.928 16.801 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.055 14.379 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.388 13.756 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.883 15.063 -4.701 1.00 0.00 H new ATOM 1127 N THR A 76 3.813 14.536 -4.195 1.00 0.00 N ATOM 1128 CA THR A 76 2.993 13.358 -4.450 1.00 0.00 C ATOM 1129 C THR A 76 3.790 12.076 -4.238 1.00 0.00 C ATOM 1130 O THR A 76 4.929 11.960 -4.691 1.00 0.00 O ATOM 1131 CB THR A 76 2.427 13.367 -5.883 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.688 14.572 -6.110 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.528 12.162 -6.117 1.00 0.00 C ATOM 0 H THR A 76 3.995 15.109 -5.019 1.00 0.00 H new ATOM 0 HA THR A 76 2.166 13.389 -3.741 1.00 0.00 H new ATOM 0 HB THR A 76 3.263 13.317 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.333 14.571 -7.023 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.140 12.190 -7.135 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.102 11.247 -5.972 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.697 12.185 -5.412 1.00 0.00 H new ATOM 1141 N TYR A 77 3.185 11.116 -3.547 1.00 0.00 N ATOM 1142 CA TYR A 77 3.840 9.843 -3.274 1.00 0.00 C ATOM 1143 C TYR A 77 2.944 8.673 -3.670 1.00 0.00 C ATOM 1144 O TYR A 77 1.970 8.362 -2.985 1.00 0.00 O ATOM 1145 CB TYR A 77 4.205 9.740 -1.792 1.00 0.00 C ATOM 1146 CG TYR A 77 5.551 10.343 -1.457 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.713 9.584 -1.537 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.661 11.670 -1.060 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.945 10.130 -1.232 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.889 12.224 -0.754 1.00 0.00 C ATOM 1151 CZ TYR A 77 8.028 11.450 -0.841 1.00 0.00 C ATOM 1152 OH TYR A 77 9.252 11.999 -0.536 1.00 0.00 O ATOM 0 H TYR A 77 2.242 11.196 -3.166 1.00 0.00 H new ATOM 0 HA TYR A 77 4.751 9.798 -3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.436 10.238 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.203 8.690 -1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.652 8.550 -1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.772 12.279 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.838 9.526 -1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.957 13.258 -0.448 1.00 0.00 H new ATOM 0 HH TYR A 77 9.431 12.753 -1.136 1.00 0.00 H new ATOM 1162 N ASP A 78 3.282 8.028 -4.782 1.00 0.00 N ATOM 1163 CA ASP A 78 2.510 6.891 -5.270 1.00 0.00 C ATOM 1164 C ASP A 78 2.531 5.747 -4.262 1.00 0.00 C ATOM 1165 O ASP A 78 3.502 4.994 -4.182 1.00 0.00 O ATOM 1166 CB ASP A 78 3.062 6.413 -6.614 1.00 0.00 C ATOM 1167 CG ASP A 78 2.484 5.075 -7.034 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.721 4.077 -6.322 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.795 5.028 -8.074 1.00 0.00 O ATOM 0 H ASP A 78 4.085 8.273 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 78 1.478 7.214 -5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.842 7.157 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.147 6.333 -6.550 1.00 0.00 H new ATOM 1174 N ILE A 79 1.454 5.623 -3.493 1.00 0.00 N ATOM 1175 CA ILE A 79 1.349 4.571 -2.490 1.00 0.00 C ATOM 1176 C ILE A 79 0.267 3.563 -2.862 1.00 0.00 C ATOM 1177 O ILE A 79 -0.861 3.937 -3.185 1.00 0.00 O ATOM 1178 CB ILE A 79 1.039 5.150 -1.097 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.063 6.225 -0.728 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.026 4.042 -0.054 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.504 7.312 0.163 1.00 0.00 C ATOM 0 H ILE A 79 0.642 6.238 -3.546 1.00 0.00 H new ATOM 0 HA ILE A 79 2.315 4.068 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 79 0.051 5.610 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.908 5.753 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.448 6.678 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.806 4.467 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.262 3.309 -0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.001 3.556 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.285 8.039 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.678 7.810 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.145 6.871 1.093 1.00 0.00 H new ATOM 1193 N LYS A 80 0.616 2.282 -2.811 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.325 1.218 -3.139 1.00 0.00 C ATOM 1195 C LYS A 80 -0.303 0.125 -2.076 1.00 0.00 C ATOM 1196 O LYS A 80 0.366 0.256 -1.051 1.00 0.00 O ATOM 1197 CB LYS A 80 0.007 0.619 -4.508 1.00 0.00 C ATOM 1198 CG LYS A 80 1.497 0.533 -4.788 1.00 0.00 C ATOM 1199 CD LYS A 80 1.794 0.659 -6.273 1.00 0.00 C ATOM 1200 CE LYS A 80 1.525 -0.645 -7.008 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.867 -0.548 -8.454 1.00 0.00 N ATOM 0 H LYS A 80 1.545 1.955 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.325 1.650 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.425 -0.380 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.466 1.222 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.016 1.322 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.883 -0.417 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.182 1.452 -6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.835 0.949 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.106 -1.446 -6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.474 -0.912 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.669 -1.457 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.295 0.199 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.876 -0.318 -8.557 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.039 -0.953 -2.326 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.102 -2.070 -1.391 1.00 0.00 C ATOM 1217 C VAL A 81 -1.458 -3.368 -2.107 1.00 0.00 C ATOM 1218 O VAL A 81 -2.085 -3.351 -3.167 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.134 -1.812 -0.277 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.505 -2.326 -0.688 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.683 -2.455 1.026 1.00 0.00 C ATOM 0 H VAL A 81 -1.600 -1.077 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.112 -2.165 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.209 -0.736 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.220 -2.135 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.829 -1.814 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.450 -3.398 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.424 -2.263 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.577 -3.530 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.724 -2.033 1.327 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.056 -4.490 -1.522 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.332 -5.798 -2.105 1.00 0.00 C ATOM 1233 C ARG A 82 -1.461 -6.861 -1.018 1.00 0.00 C ATOM 1234 O ARG A 82 -0.616 -6.960 -0.129 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.225 -6.187 -3.086 1.00 0.00 C ATOM 1236 CG ARG A 82 1.131 -6.382 -2.427 1.00 0.00 C ATOM 1237 CD ARG A 82 2.182 -6.819 -3.435 1.00 0.00 C ATOM 1238 NE ARG A 82 3.517 -6.874 -2.846 1.00 0.00 N ATOM 1239 CZ ARG A 82 4.638 -6.772 -3.552 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.584 -6.611 -4.867 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.815 -6.832 -2.943 1.00 0.00 N ATOM 0 H ARG A 82 -0.538 -4.521 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.278 -5.736 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.509 -7.109 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.140 -5.415 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.444 -5.451 -1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.049 -7.129 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.919 -7.801 -3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.186 -6.127 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 82 3.593 -6.998 -1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.681 -6.565 -5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.446 -6.533 -5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.860 -6.957 -1.932 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.675 -6.754 -3.486 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.524 -7.655 -1.097 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.762 -8.712 -0.122 1.00 0.00 C ATOM 1257 C ALA A 83 -1.824 -9.892 -0.351 1.00 0.00 C ATOM 1258 O ALA A 83 -1.450 -10.188 -1.486 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.212 -9.168 -0.182 1.00 0.00 C ATOM 0 H ALA A 83 -3.234 -7.586 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.560 -8.309 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.376 -9.958 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.868 -8.326 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.433 -9.548 -1.180 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.449 -10.562 0.732 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.553 -11.711 0.648 1.00 0.00 C ATOM 1267 C TRP A 84 -1.214 -12.959 1.222 1.00 0.00 C ATOM 1268 O TRP A 84 -1.931 -12.892 2.221 1.00 0.00 O ATOM 1269 CB TRP A 84 0.751 -11.422 1.392 1.00 0.00 C ATOM 1270 CG TRP A 84 1.649 -10.465 0.667 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.434 -9.132 0.465 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.903 -10.770 0.047 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.478 -8.589 -0.244 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.393 -9.573 -0.512 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.661 -11.936 -0.090 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.604 -9.512 -1.195 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.863 -11.874 -0.769 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.325 -10.669 -1.314 1.00 0.00 C ATOM 0 H TRP A 84 -1.751 -10.330 1.678 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.331 -11.891 -0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.517 -11.015 2.376 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.284 -12.359 1.553 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.570 -8.585 0.812 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.559 -7.612 -0.525 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.313 -12.869 0.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.962 -8.584 -1.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.456 -12.770 -0.881 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.269 -10.653 -1.838 1.00 0.00 H new ATOM 1289 N THR A 85 -0.969 -14.100 0.584 1.00 0.00 N ATOM 1290 CA THR A 85 -1.541 -15.364 1.031 1.00 0.00 C ATOM 1291 C THR A 85 -0.455 -16.319 1.513 1.00 0.00 C ATOM 1292 O THR A 85 0.721 -16.151 1.190 1.00 0.00 O ATOM 1293 CB THR A 85 -2.345 -16.044 -0.092 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.596 -16.025 -1.312 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.681 -15.346 -0.300 1.00 0.00 C ATOM 0 H THR A 85 -0.378 -14.174 -0.244 1.00 0.00 H new ATOM 0 HA THR A 85 -2.211 -15.133 1.859 1.00 0.00 H new ATOM 0 HB THR A 85 -2.534 -17.077 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.114 -16.461 -2.021 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.231 -15.844 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.261 -15.388 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.509 -14.305 -0.573 1.00 0.00 H new ATOM 1303 N SER A 86 -0.857 -17.322 2.287 1.00 0.00 N ATOM 1304 CA SER A 86 0.084 -18.303 2.816 1.00 0.00 C ATOM 1305 C SER A 86 1.017 -18.808 1.720 1.00 0.00 C ATOM 1306 O SER A 86 2.135 -19.246 1.992 1.00 0.00 O ATOM 1307 CB SER A 86 -0.671 -19.478 3.441 1.00 0.00 C ATOM 1308 OG SER A 86 0.168 -20.614 3.565 1.00 0.00 O ATOM 0 H SER A 86 -1.827 -17.477 2.562 1.00 0.00 H new ATOM 0 HA SER A 86 0.685 -17.816 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.048 -19.191 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.537 -19.726 2.827 1.00 0.00 H new ATOM 0 HG SER A 86 -0.337 -21.351 3.968 1.00 0.00 H new ATOM 1314 N LYS A 87 0.550 -18.742 0.478 1.00 0.00 N ATOM 1315 CA LYS A 87 1.341 -19.190 -0.662 1.00 0.00 C ATOM 1316 C LYS A 87 2.381 -18.144 -1.048 1.00 0.00 C ATOM 1317 O LYS A 87 3.583 -18.401 -0.995 1.00 0.00 O ATOM 1318 CB LYS A 87 0.430 -19.484 -1.857 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.417 -20.733 -1.683 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.757 -20.412 -1.043 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.488 -21.677 -0.617 1.00 0.00 C ATOM 1322 NZ LYS A 87 -3.942 -21.433 -0.409 1.00 0.00 N ATOM 0 H LYS A 87 -0.373 -18.382 0.235 1.00 0.00 H new ATOM 0 HA LYS A 87 1.861 -20.104 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.227 -18.630 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.042 -19.592 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.579 -21.202 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.119 -21.454 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.603 -19.770 -0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.374 -19.854 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.354 -22.447 -1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.048 -22.058 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.405 -22.318 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.071 -20.716 0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.367 -21.094 -1.295 1.00 0.00 H new ATOM 1336 N GLY A 88 1.911 -16.962 -1.434 1.00 0.00 N ATOM 1337 CA GLY A 88 2.814 -15.894 -1.821 1.00 0.00 C ATOM 1338 C GLY A 88 2.126 -14.545 -1.879 1.00 0.00 C ATOM 1339 O GLY A 88 1.558 -14.088 -0.887 1.00 0.00 O ATOM 0 H GLY A 88 0.920 -16.725 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.640 -15.847 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.244 -16.121 -2.797 1.00 0.00 H new ATOM 1343 N SER A 89 2.178 -13.904 -3.042 1.00 0.00 N ATOM 1344 CA SER A 89 1.560 -12.596 -3.223 1.00 0.00 C ATOM 1345 C SER A 89 0.677 -12.580 -4.468 1.00 0.00 C ATOM 1346 O SER A 89 0.555 -13.584 -5.169 1.00 0.00 O ATOM 1347 CB SER A 89 2.633 -11.512 -3.332 1.00 0.00 C ATOM 1348 OG SER A 89 2.059 -10.255 -3.644 1.00 0.00 O ATOM 0 H SER A 89 2.642 -14.270 -3.874 1.00 0.00 H new ATOM 0 HA SER A 89 0.936 -12.393 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.180 -11.442 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.355 -11.787 -4.101 1.00 0.00 H new ATOM 0 HG SER A 89 2.630 -9.786 -4.288 1.00 0.00 H new ATOM 1354 N GLY A 90 0.063 -11.432 -4.735 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.801 -11.305 -5.895 1.00 0.00 C ATOM 1356 C GLY A 90 -0.600 -9.993 -6.627 1.00 0.00 C ATOM 1357 O GLY A 90 0.521 -9.506 -6.775 1.00 0.00 O ATOM 0 H GLY A 90 0.148 -10.587 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.610 -12.132 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.841 -11.386 -5.580 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.706 -9.400 -7.102 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.671 -8.130 -7.832 1.00 0.00 C ATOM 1363 C PRO A 91 -1.309 -6.954 -6.932 1.00 0.00 C ATOM 1364 O PRO A 91 -1.028 -7.130 -5.745 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.102 -7.982 -8.355 1.00 0.00 C ATOM 1366 CG PRO A 91 -3.935 -8.775 -7.408 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.074 -9.925 -6.962 1.00 0.00 C ATOM 0 HA PRO A 91 -0.914 -8.131 -8.616 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.410 -6.937 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.192 -8.360 -9.374 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.245 -8.167 -6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.843 -9.133 -7.893 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.290 -10.214 -5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.231 -10.808 -7.581 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.318 -5.754 -7.502 1.00 0.00 N ATOM 1376 CA LEU A 92 -0.991 -4.547 -6.750 1.00 0.00 C ATOM 1377 C LEU A 92 -2.087 -3.498 -6.900 1.00 0.00 C ATOM 1378 O LEU A 92 -2.398 -3.065 -8.010 1.00 0.00 O ATOM 1379 CB LEU A 92 0.347 -3.975 -7.222 1.00 0.00 C ATOM 1380 CG LEU A 92 1.592 -4.499 -6.505 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.809 -4.406 -7.412 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.827 -3.729 -5.214 1.00 0.00 C ATOM 0 H LEU A 92 -1.548 -5.591 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.913 -4.815 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.452 -4.181 -8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.316 -2.891 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 92 1.430 -5.548 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.685 -4.783 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.641 -5.002 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.975 -3.366 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.717 -4.115 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.968 -2.672 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.965 -3.847 -4.558 1.00 0.00 H new ATOM 1394 N SER A 93 -2.668 -3.090 -5.776 1.00 0.00 N ATOM 1395 CA SER A 93 -3.731 -2.092 -5.783 1.00 0.00 C ATOM 1396 C SER A 93 -3.279 -0.822 -6.497 1.00 0.00 C ATOM 1397 O SER A 93 -2.090 -0.513 -6.576 1.00 0.00 O ATOM 1398 CB SER A 93 -4.159 -1.762 -4.352 1.00 0.00 C ATOM 1399 OG SER A 93 -3.333 -0.755 -3.793 1.00 0.00 O ATOM 0 H SER A 93 -2.420 -3.435 -4.849 1.00 0.00 H new ATOM 0 HA SER A 93 -4.582 -2.507 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.197 -1.430 -4.347 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.109 -2.661 -3.737 1.00 0.00 H new ATOM 0 HG SER A 93 -3.559 0.112 -4.190 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.250 -0.067 -7.031 1.00 0.00 N ATOM 1406 CA PRO A 94 -3.978 1.183 -7.748 1.00 0.00 C ATOM 1407 C PRO A 94 -3.493 2.290 -6.819 1.00 0.00 C ATOM 1408 O PRO A 94 -4.228 2.745 -5.943 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.336 1.548 -8.352 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.335 0.894 -7.462 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.689 -0.374 -6.976 1.00 0.00 C ATOM 0 HA PRO A 94 -3.185 1.065 -8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.479 2.628 -8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.423 1.187 -9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.598 1.543 -6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.258 0.680 -8.002 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.008 -0.625 -5.964 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.943 -1.223 -7.610 1.00 0.00 H new ATOM 1419 N SER A 95 -2.250 2.720 -7.016 1.00 0.00 N ATOM 1420 CA SER A 95 -1.666 3.772 -6.193 1.00 0.00 C ATOM 1421 C SER A 95 -2.644 4.929 -6.015 1.00 0.00 C ATOM 1422 O SER A 95 -3.547 5.124 -6.830 1.00 0.00 O ATOM 1423 CB SER A 95 -0.368 4.280 -6.824 1.00 0.00 C ATOM 1424 OG SER A 95 0.047 5.497 -6.228 1.00 0.00 O ATOM 0 H SER A 95 -1.629 2.356 -7.738 1.00 0.00 H new ATOM 0 HA SER A 95 -1.445 3.351 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.414 3.530 -6.708 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.513 4.427 -7.894 1.00 0.00 H new ATOM 0 HG SER A 95 0.073 6.202 -6.908 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.459 5.693 -4.944 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.323 6.831 -4.659 1.00 0.00 C ATOM 1432 C ILE A 96 -2.593 8.149 -4.894 1.00 0.00 C ATOM 1433 O ILE A 96 -3.214 9.168 -5.195 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.841 6.796 -3.209 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.700 6.466 -2.245 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -4.966 5.781 -3.073 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.128 6.418 -0.795 1.00 0.00 C ATOM 0 H ILE A 96 -1.718 5.544 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.170 6.761 -5.341 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.233 7.781 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.270 5.503 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.913 7.211 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.322 5.768 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.786 6.056 -3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.598 4.791 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.268 6.179 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.531 7.388 -0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.894 5.653 -0.667 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.272 8.120 -4.755 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.457 9.313 -4.954 1.00 0.00 C ATOM 1451 C GLN A 97 -0.807 10.388 -3.931 1.00 0.00 C ATOM 1452 O GLN A 97 -1.104 11.528 -4.290 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.649 9.858 -6.370 1.00 0.00 C ATOM 1454 CG GLN A 97 0.332 9.286 -7.381 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.256 9.187 -8.774 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.677 10.188 -9.355 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.287 7.977 -9.320 1.00 0.00 N ATOM 0 H GLN A 97 -0.743 7.284 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 97 0.588 9.035 -4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.665 9.641 -6.699 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.546 10.943 -6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.223 9.913 -7.411 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.649 8.296 -7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.073 7.175 -8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.670 7.850 -10.257 1.00 0.00 H new ATOM 1466 N SER A 98 -0.772 10.018 -2.655 1.00 0.00 N ATOM 1467 CA SER A 98 -1.090 10.950 -1.579 1.00 0.00 C ATOM 1468 C SER A 98 0.067 11.914 -1.336 1.00 0.00 C ATOM 1469 O SER A 98 1.095 11.537 -0.773 1.00 0.00 O ATOM 1470 CB SER A 98 -1.412 10.187 -0.293 1.00 0.00 C ATOM 1471 OG SER A 98 -2.249 10.951 0.557 1.00 0.00 O ATOM 0 H SER A 98 -0.527 9.079 -2.341 1.00 0.00 H new ATOM 0 HA SER A 98 -1.965 11.528 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.901 9.244 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.487 9.940 0.228 1.00 0.00 H new ATOM 0 HG SER A 98 -1.697 11.493 1.159 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.109 13.160 -1.764 1.00 0.00 N ATOM 1478 CA ARG A 99 0.920 14.179 -1.595 1.00 0.00 C ATOM 1479 C ARG A 99 0.954 14.683 -0.155 1.00 0.00 C ATOM 1480 O ARG A 99 0.018 15.334 0.309 1.00 0.00 O ATOM 1481 CB ARG A 99 0.673 15.348 -2.550 1.00 0.00 C ATOM 1482 CG ARG A 99 1.499 16.582 -2.228 1.00 0.00 C ATOM 1483 CD ARG A 99 1.225 17.709 -3.212 1.00 0.00 C ATOM 1484 NE ARG A 99 -0.112 18.273 -3.040 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.683 19.089 -3.918 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -0.039 19.435 -5.023 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.902 19.561 -3.690 1.00 0.00 N ATOM 0 H ARG A 99 -0.955 13.488 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 99 1.885 13.727 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.895 15.028 -3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.384 15.612 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.273 16.918 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.559 16.328 -2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.969 18.494 -3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.333 17.335 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.635 18.026 -2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.898 19.074 -5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.481 20.062 -5.695 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.400 19.297 -2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.341 20.188 -4.365 1.00 0.00 H new ATOM 1501 N THR A 100 2.040 14.377 0.549 1.00 0.00 N ATOM 1502 CA THR A 100 2.196 14.797 1.936 1.00 0.00 C ATOM 1503 C THR A 100 1.682 16.217 2.141 1.00 0.00 C ATOM 1504 O THR A 100 1.579 16.993 1.192 1.00 0.00 O ATOM 1505 CB THR A 100 3.669 14.726 2.382 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.467 15.598 1.574 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.198 13.304 2.279 1.00 0.00 C ATOM 0 H THR A 100 2.825 13.839 0.181 1.00 0.00 H new ATOM 0 HA THR A 100 1.607 14.109 2.543 1.00 0.00 H new ATOM 0 HB THR A 100 3.726 15.042 3.423 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.189 15.085 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.240 13.279 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.606 12.648 2.918 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.128 12.964 1.246 1.00 0.00 H new ATOM 1515 N MET A 101 1.361 16.551 3.387 1.00 0.00 N ATOM 1516 CA MET A 101 0.860 17.880 3.716 1.00 0.00 C ATOM 1517 C MET A 101 1.955 18.930 3.556 1.00 0.00 C ATOM 1518 O MET A 101 3.113 18.712 3.911 1.00 0.00 O ATOM 1519 CB MET A 101 0.319 17.904 5.148 1.00 0.00 C ATOM 1520 CG MET A 101 1.380 18.211 6.192 1.00 0.00 C ATOM 1521 SD MET A 101 0.777 17.996 7.878 1.00 0.00 S ATOM 1522 CE MET A 101 -0.549 19.199 7.919 1.00 0.00 C ATOM 0 H MET A 101 1.439 15.920 4.185 1.00 0.00 H new ATOM 0 HA MET A 101 0.051 18.117 3.025 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.473 18.650 5.216 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.133 16.938 5.374 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.240 17.561 6.032 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.726 19.236 6.062 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.844 19.380 8.953 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.208 20.132 7.470 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.403 18.818 7.359 1.00 0.00 H new ATOM 1532 N PRO A 102 1.582 20.096 3.008 1.00 0.00 N ATOM 1533 CA PRO A 102 2.518 21.202 2.788 1.00 0.00 C ATOM 1534 C PRO A 102 2.969 21.848 4.094 1.00 0.00 C ATOM 1535 O PRO A 102 2.238 22.635 4.695 1.00 0.00 O ATOM 1536 CB PRO A 102 1.704 22.195 1.955 1.00 0.00 C ATOM 1537 CG PRO A 102 0.284 21.903 2.297 1.00 0.00 C ATOM 1538 CD PRO A 102 0.218 20.424 2.561 1.00 0.00 C ATOM 0 HA PRO A 102 3.436 20.869 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.966 23.224 2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.890 22.063 0.889 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.031 22.470 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.380 22.184 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.523 20.185 3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.056 19.868 1.665 1.00 0.00 H new ATOM 1546 N VAL A 103 4.179 21.509 4.529 1.00 0.00 N ATOM 1547 CA VAL A 103 4.729 22.057 5.763 1.00 0.00 C ATOM 1548 C VAL A 103 4.591 23.575 5.800 1.00 0.00 C ATOM 1549 O VAL A 103 4.481 24.224 4.760 1.00 0.00 O ATOM 1550 CB VAL A 103 6.214 21.684 5.931 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.042 22.262 4.794 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.734 22.163 7.278 1.00 0.00 C ATOM 0 H VAL A 103 4.797 20.857 4.045 1.00 0.00 H new ATOM 0 HA VAL A 103 4.158 21.623 6.583 1.00 0.00 H new ATOM 0 HB VAL A 103 6.304 20.598 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.088 21.988 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.683 21.865 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.949 23.348 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.785 21.891 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.631 23.246 7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.159 21.695 8.077 1.00 0.00 H new