USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 591 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 73 HIS : no HE2:sc= -0.898 K(o=-0.78,f=-3.3) USER MOD Set 1.2: A 140 GLN : amide:sc= 0.117 K(o=-0.78,f=-1.8) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 29 GLN : amide:sc= -1.32 X(o=-1.3,f=-1) USER MOD Single : A 32 THR OG1 : rot -14:sc= -1.29 USER MOD Single : A 37 ASN : amide:sc= -4.87! C(o=-4.9!,f=-7.1!) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0262) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0743 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.967 USER MOD Single : A 51 SER OG : rot 180:sc= -0.721 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -14:sc= 1.11 USER MOD Single : A 64 SER OG : rot 160:sc= 0 USER MOD Single : A 71 SER OG : rot -140:sc= -0.843 USER MOD Single : A 86 HIS : no HD1:sc= -0.851 K(o=-0.85,f=-2) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -167:sc= -1.03 (180deg=-1.44) USER MOD Single : A 92 ASN : amide:sc= -3.9! C(o=-3.9!,f=-10!) USER MOD Single : A 124 SER OG : rot -43:sc= 0.721 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -98:sc= 0.182 USER MOD Single : A 132 MET CE :methyl 167:sc= -2.62 (180deg=-3.15!) USER MOD Single : A 134 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 136 MET CE :methyl -101:sc= -6.09! (180deg=-8.37!) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 102:sc= -0.167 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 10.720 6.268 5.601 1.00 0.00 N ATOM 19 CA GLN A 28 10.734 4.774 5.700 1.00 0.00 C ATOM 20 C GLN A 28 10.236 4.327 7.080 1.00 0.00 C ATOM 21 O GLN A 28 10.275 5.081 8.035 1.00 0.00 O ATOM 22 CB GLN A 28 12.200 4.367 5.487 1.00 0.00 C ATOM 23 CG GLN A 28 13.096 5.026 6.544 1.00 0.00 C ATOM 24 CD GLN A 28 14.539 4.549 6.364 1.00 0.00 C ATOM 25 OE1 GLN A 28 14.778 3.486 5.824 1.00 0.00 O ATOM 26 NE2 GLN A 28 15.519 5.296 6.796 1.00 0.00 N ATOM 0 HA GLN A 28 10.078 4.307 4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.295 3.283 5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.525 4.663 4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.047 6.111 6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.741 4.775 7.544 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.319 6.188 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.484 4.988 6.680 1.00 0.00 H new ATOM 35 N GLN A 29 9.770 3.102 7.181 1.00 0.00 N ATOM 36 CA GLN A 29 9.264 2.586 8.495 1.00 0.00 C ATOM 37 C GLN A 29 10.319 1.655 9.127 1.00 0.00 C ATOM 38 O GLN A 29 10.936 0.882 8.421 1.00 0.00 O ATOM 39 CB GLN A 29 7.984 1.798 8.170 1.00 0.00 C ATOM 40 CG GLN A 29 6.978 2.683 7.419 1.00 0.00 C ATOM 41 CD GLN A 29 6.567 3.871 8.290 1.00 0.00 C ATOM 42 OE1 GLN A 29 6.474 3.754 9.495 1.00 0.00 O ATOM 43 NE2 GLN A 29 6.316 5.019 7.722 1.00 0.00 N ATOM 0 H GLN A 29 9.719 2.437 6.409 1.00 0.00 H new ATOM 0 HA GLN A 29 9.067 3.392 9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.232 0.926 7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.534 1.429 9.092 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.420 3.040 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.098 2.098 7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.395 5.115 6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.041 5.820 8.291 1.00 0.00 H new ATOM 52 N PRO A 30 10.511 1.753 10.436 1.00 0.00 N ATOM 53 CA PRO A 30 11.517 0.890 11.103 1.00 0.00 C ATOM 54 C PRO A 30 10.977 -0.537 11.312 1.00 0.00 C ATOM 55 O PRO A 30 11.261 -1.424 10.529 1.00 0.00 O ATOM 56 CB PRO A 30 11.784 1.603 12.427 1.00 0.00 C ATOM 57 CG PRO A 30 10.560 2.422 12.709 1.00 0.00 C ATOM 58 CD PRO A 30 9.837 2.646 11.402 1.00 0.00 C ATOM 0 HA PRO A 30 12.425 0.760 10.515 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.966 0.885 13.227 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.669 2.235 12.358 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.913 1.908 13.419 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.835 3.375 13.161 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.778 2.405 11.490 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.902 3.688 11.088 1.00 0.00 H new ATOM 66 N GLU A 31 10.207 -0.764 12.356 1.00 0.00 N ATOM 67 CA GLU A 31 9.652 -2.129 12.616 1.00 0.00 C ATOM 68 C GLU A 31 8.131 -2.103 12.481 1.00 0.00 C ATOM 69 O GLU A 31 7.454 -1.376 13.186 1.00 0.00 O ATOM 70 CB GLU A 31 10.058 -2.457 14.052 1.00 0.00 C ATOM 71 CG GLU A 31 11.585 -2.485 14.160 1.00 0.00 C ATOM 72 CD GLU A 31 11.994 -2.890 15.580 1.00 0.00 C ATOM 73 OE1 GLU A 31 11.285 -3.682 16.180 1.00 0.00 O ATOM 74 OE2 GLU A 31 13.011 -2.401 16.043 1.00 0.00 O ATOM 0 H GLU A 31 9.940 -0.056 13.040 1.00 0.00 H new ATOM 0 HA GLU A 31 10.026 -2.872 11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.649 -1.713 14.735 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.645 -3.422 14.346 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.998 -3.189 13.437 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.994 -1.504 13.919 1.00 0.00 H new ATOM 81 N THR A 32 7.593 -2.887 11.574 1.00 0.00 N ATOM 82 CA THR A 32 6.113 -2.909 11.377 1.00 0.00 C ATOM 83 C THR A 32 5.699 -4.210 10.676 1.00 0.00 C ATOM 84 O THR A 32 6.449 -4.756 9.878 1.00 0.00 O ATOM 85 CB THR A 32 5.839 -1.675 10.501 1.00 0.00 C ATOM 86 OG1 THR A 32 6.180 -0.507 11.231 1.00 0.00 O ATOM 87 CG2 THR A 32 4.358 -1.605 10.098 1.00 0.00 C ATOM 0 H THR A 32 8.119 -3.512 10.963 1.00 0.00 H new ATOM 0 HA THR A 32 5.547 -2.877 12.308 1.00 0.00 H new ATOM 0 HB THR A 32 6.440 -1.748 9.595 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.285 -0.733 12.179 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.191 -0.723 9.479 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.091 -2.500 9.535 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.740 -1.542 10.994 1.00 0.00 H new ATOM 95 N GLU A 33 4.513 -4.706 10.965 1.00 0.00 N ATOM 96 CA GLU A 33 4.054 -5.967 10.307 1.00 0.00 C ATOM 97 C GLU A 33 2.938 -5.669 9.299 1.00 0.00 C ATOM 98 O GLU A 33 2.129 -4.774 9.480 1.00 0.00 O ATOM 99 CB GLU A 33 3.546 -6.855 11.452 1.00 0.00 C ATOM 100 CG GLU A 33 2.406 -6.157 12.202 1.00 0.00 C ATOM 101 CD GLU A 33 1.633 -7.183 13.033 1.00 0.00 C ATOM 102 OE1 GLU A 33 1.514 -8.312 12.584 1.00 0.00 O ATOM 103 OE2 GLU A 33 1.172 -6.824 14.104 1.00 0.00 O ATOM 0 H GLU A 33 3.852 -4.292 11.623 1.00 0.00 H new ATOM 0 HA GLU A 33 4.851 -6.455 9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.199 -7.809 11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.362 -7.075 12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.807 -5.378 12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.736 -5.669 11.494 1.00 0.00 H new ATOM 110 N ALA A 34 2.910 -6.425 8.238 1.00 0.00 N ATOM 111 CA ALA A 34 1.884 -6.240 7.177 1.00 0.00 C ATOM 112 C ALA A 34 0.890 -7.415 7.084 1.00 0.00 C ATOM 113 O ALA A 34 1.270 -8.596 6.956 1.00 0.00 O ATOM 114 CB ALA A 34 2.678 -6.119 5.881 1.00 0.00 C ATOM 0 H ALA A 34 3.571 -7.181 8.059 1.00 0.00 H new ATOM 0 HA ALA A 34 1.270 -5.365 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.992 -5.980 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.351 -5.264 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.260 -7.027 5.725 1.00 0.00 H new ATOM 120 N VAL A 35 -0.381 -7.062 7.072 1.00 0.00 N ATOM 121 CA VAL A 35 -1.484 -8.053 6.907 1.00 0.00 C ATOM 122 C VAL A 35 -2.275 -7.601 5.656 1.00 0.00 C ATOM 123 O VAL A 35 -2.533 -6.418 5.503 1.00 0.00 O ATOM 124 CB VAL A 35 -2.322 -7.951 8.203 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.680 -8.674 8.064 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.526 -8.556 9.368 1.00 0.00 C ATOM 0 H VAL A 35 -0.700 -6.098 7.173 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.167 -9.086 6.765 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.528 -6.898 8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.239 -8.580 8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.250 -8.224 7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.510 -9.729 7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.112 -8.487 10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.308 -9.603 9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.592 -8.009 9.493 1.00 0.00 H new ATOM 136 N LEU A 36 -2.592 -8.499 4.737 1.00 0.00 N ATOM 137 CA LEU A 36 -3.285 -8.060 3.471 1.00 0.00 C ATOM 138 C LEU A 36 -4.632 -8.764 3.156 1.00 0.00 C ATOM 139 O LEU A 36 -4.722 -9.966 3.011 1.00 0.00 O ATOM 140 CB LEU A 36 -2.261 -8.380 2.355 1.00 0.00 C ATOM 141 CG LEU A 36 -2.028 -7.148 1.474 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.769 -7.357 0.630 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.232 -6.945 0.552 1.00 0.00 C ATOM 0 H LEU A 36 -2.404 -9.499 4.808 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.564 -7.011 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.319 -8.701 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.625 -9.207 1.745 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.902 -6.268 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.602 -6.481 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.089 -7.502 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.896 -8.237 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.067 -6.069 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.359 -7.824 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.129 -6.797 1.153 1.00 0.00 H new ATOM 155 N ASN A 37 -5.651 -7.949 2.951 1.00 0.00 N ATOM 156 CA ASN A 37 -7.031 -8.393 2.522 1.00 0.00 C ATOM 157 C ASN A 37 -7.759 -9.399 3.435 1.00 0.00 C ATOM 158 O ASN A 37 -8.746 -9.970 3.003 1.00 0.00 O ATOM 159 CB ASN A 37 -6.819 -9.038 1.141 1.00 0.00 C ATOM 160 CG ASN A 37 -6.207 -8.021 0.166 1.00 0.00 C ATOM 161 OD1 ASN A 37 -6.192 -6.834 0.429 1.00 0.00 O ATOM 162 ND2 ASN A 37 -5.699 -8.442 -0.960 1.00 0.00 N ATOM 0 H ASN A 37 -5.576 -6.939 3.071 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.681 -7.518 2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.163 -9.904 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.771 -9.399 0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.291 -7.776 -1.616 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.710 -9.437 -1.184 1.00 0.00 H new ATOM 169 N GLY A 38 -7.365 -9.579 4.677 1.00 0.00 N ATOM 170 CA GLY A 38 -8.111 -10.535 5.579 1.00 0.00 C ATOM 171 C GLY A 38 -7.130 -11.524 6.195 1.00 0.00 C ATOM 172 O GLY A 38 -7.063 -11.669 7.404 1.00 0.00 O ATOM 0 H GLY A 38 -6.567 -9.112 5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.628 -9.983 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.873 -11.069 5.010 1.00 0.00 H new ATOM 176 N LYS A 39 -6.340 -12.170 5.372 1.00 0.00 N ATOM 177 CA LYS A 39 -5.315 -13.116 5.895 1.00 0.00 C ATOM 178 C LYS A 39 -4.038 -12.307 5.943 1.00 0.00 C ATOM 179 O LYS A 39 -3.591 -11.800 4.923 1.00 0.00 O ATOM 180 CB LYS A 39 -5.223 -14.245 4.864 1.00 0.00 C ATOM 181 CG LYS A 39 -4.359 -15.377 5.422 1.00 0.00 C ATOM 182 CD LYS A 39 -2.914 -15.200 4.954 1.00 0.00 C ATOM 183 CE LYS A 39 -2.771 -15.728 3.524 1.00 0.00 C ATOM 184 NZ LYS A 39 -2.535 -17.189 3.676 1.00 0.00 N ATOM 0 H LYS A 39 -6.364 -12.080 4.356 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.529 -13.543 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.220 -14.617 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.794 -13.869 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.401 -15.377 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.744 -16.340 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.634 -14.147 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.237 -15.735 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.670 -15.532 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.942 -15.246 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.902 -17.689 2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.515 -17.368 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.023 -17.533 4.527 1.00 0.00 H new ATOM 198 N GLY A 40 -3.507 -12.092 7.127 1.00 0.00 N ATOM 199 CA GLY A 40 -2.325 -11.206 7.243 1.00 0.00 C ATOM 200 C GLY A 40 -1.023 -11.876 6.857 1.00 0.00 C ATOM 201 O GLY A 40 -0.504 -12.721 7.566 1.00 0.00 O ATOM 0 H GLY A 40 -3.844 -12.492 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.474 -10.331 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.249 -10.848 8.270 1.00 0.00 H new ATOM 205 N LEU A 41 -0.453 -11.428 5.766 1.00 0.00 N ATOM 206 CA LEU A 41 0.866 -11.937 5.340 1.00 0.00 C ATOM 207 C LEU A 41 1.827 -10.748 5.190 1.00 0.00 C ATOM 208 O LEU A 41 1.658 -9.917 4.312 1.00 0.00 O ATOM 209 CB LEU A 41 0.596 -12.633 3.987 1.00 0.00 C ATOM 210 CG LEU A 41 1.905 -13.012 3.264 1.00 0.00 C ATOM 211 CD1 LEU A 41 2.763 -13.919 4.152 1.00 0.00 C ATOM 212 CD2 LEU A 41 1.568 -13.749 1.965 1.00 0.00 C ATOM 0 H LEU A 41 -0.859 -10.722 5.152 1.00 0.00 H new ATOM 0 HA LEU A 41 1.323 -12.628 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.000 -13.530 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.007 -11.973 3.350 1.00 0.00 H new ATOM 0 HG LEU A 41 2.464 -12.102 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.683 -14.177 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.007 -13.397 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.210 -14.829 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.490 -14.019 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.003 -14.652 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.971 -13.101 1.324 1.00 0.00 H new ATOM 224 N GLY A 42 2.838 -10.687 6.010 1.00 0.00 N ATOM 225 CA GLY A 42 3.840 -9.598 5.913 1.00 0.00 C ATOM 226 C GLY A 42 4.412 -9.281 7.292 1.00 0.00 C ATOM 227 O GLY A 42 3.693 -8.877 8.183 1.00 0.00 O ATOM 0 H GLY A 42 3.012 -11.360 6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.643 -9.893 5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.378 -8.706 5.489 1.00 0.00 H new ATOM 231 N THR A 43 5.701 -9.426 7.460 1.00 0.00 N ATOM 232 CA THR A 43 6.352 -9.075 8.757 1.00 0.00 C ATOM 233 C THR A 43 7.715 -8.499 8.417 1.00 0.00 C ATOM 234 O THR A 43 8.558 -9.224 7.927 1.00 0.00 O ATOM 235 CB THR A 43 6.485 -10.396 9.519 1.00 0.00 C ATOM 236 OG1 THR A 43 5.210 -11.018 9.611 1.00 0.00 O ATOM 237 CG2 THR A 43 7.025 -10.124 10.924 1.00 0.00 C ATOM 0 H THR A 43 6.338 -9.777 6.745 1.00 0.00 H new ATOM 0 HA THR A 43 5.799 -8.351 9.356 1.00 0.00 H new ATOM 0 HB THR A 43 7.173 -11.054 8.989 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.293 -11.865 10.097 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.119 -11.065 11.466 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.002 -9.647 10.852 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.338 -9.466 11.457 1.00 0.00 H new ATOM 245 N GLY A 44 7.947 -7.213 8.636 1.00 0.00 N ATOM 246 CA GLY A 44 9.277 -6.641 8.260 1.00 0.00 C ATOM 247 C GLY A 44 9.275 -5.126 8.259 1.00 0.00 C ATOM 248 O GLY A 44 8.819 -4.479 9.188 1.00 0.00 O ATOM 0 H GLY A 44 7.285 -6.556 9.049 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.034 -7.000 8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.558 -7.002 7.271 1.00 0.00 H new ATOM 252 N THR A 45 9.841 -4.568 7.226 1.00 0.00 N ATOM 253 CA THR A 45 9.949 -3.073 7.133 1.00 0.00 C ATOM 254 C THR A 45 9.235 -2.511 5.901 1.00 0.00 C ATOM 255 O THR A 45 9.227 -3.117 4.846 1.00 0.00 O ATOM 256 CB THR A 45 11.451 -2.774 7.075 1.00 0.00 C ATOM 257 OG1 THR A 45 12.044 -3.507 6.012 1.00 0.00 O ATOM 258 CG2 THR A 45 12.111 -3.168 8.403 1.00 0.00 C ATOM 0 H THR A 45 10.237 -5.079 6.437 1.00 0.00 H new ATOM 0 HA THR A 45 9.466 -2.599 7.987 1.00 0.00 H new ATOM 0 HB THR A 45 11.597 -1.707 6.904 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.004 -3.313 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.179 -2.953 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.661 -2.598 9.216 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.962 -4.233 8.581 1.00 0.00 H new ATOM 266 N LEU A 46 8.660 -1.337 6.033 1.00 0.00 N ATOM 267 CA LEU A 46 7.964 -0.693 4.877 1.00 0.00 C ATOM 268 C LEU A 46 8.636 0.642 4.537 1.00 0.00 C ATOM 269 O LEU A 46 8.677 1.543 5.357 1.00 0.00 O ATOM 270 CB LEU A 46 6.535 -0.444 5.381 1.00 0.00 C ATOM 271 CG LEU A 46 5.661 0.142 4.262 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.189 -0.155 4.562 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.852 1.662 4.185 1.00 0.00 C ATOM 0 H LEU A 46 8.644 -0.797 6.898 1.00 0.00 H new ATOM 0 HA LEU A 46 7.991 -1.309 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.101 -1.378 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.557 0.241 6.229 1.00 0.00 H new ATOM 0 HG LEU A 46 5.952 -0.309 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.565 0.259 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.039 -1.233 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.913 0.297 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.228 2.067 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.566 2.113 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.898 1.887 3.977 1.00 0.00 H new ATOM 285 N TYR A 47 9.111 0.794 3.322 1.00 0.00 N ATOM 286 CA TYR A 47 9.728 2.103 2.902 1.00 0.00 C ATOM 287 C TYR A 47 8.826 2.752 1.849 1.00 0.00 C ATOM 288 O TYR A 47 8.560 2.167 0.812 1.00 0.00 O ATOM 289 CB TYR A 47 11.175 1.891 2.340 1.00 0.00 C ATOM 290 CG TYR A 47 11.516 0.453 1.962 1.00 0.00 C ATOM 291 CD1 TYR A 47 11.597 -0.534 2.953 1.00 0.00 C ATOM 292 CD2 TYR A 47 11.767 0.124 0.627 1.00 0.00 C ATOM 293 CE1 TYR A 47 11.926 -1.846 2.606 1.00 0.00 C ATOM 294 CE2 TYR A 47 12.094 -1.191 0.280 1.00 0.00 C ATOM 295 CZ TYR A 47 12.174 -2.177 1.269 1.00 0.00 C ATOM 296 OH TYR A 47 12.500 -3.472 0.923 1.00 0.00 O ATOM 0 H TYR A 47 9.100 0.072 2.602 1.00 0.00 H new ATOM 0 HA TYR A 47 9.813 2.758 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.303 2.522 1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.892 2.234 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.405 -0.280 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.708 0.885 -0.137 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.989 -2.606 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.285 -1.445 -0.752 1.00 0.00 H new ATOM 0 HH TYR A 47 12.638 -3.527 -0.046 1.00 0.00 H new ATOM 306 N ILE A 48 8.346 3.944 2.113 1.00 0.00 N ATOM 307 CA ILE A 48 7.441 4.635 1.138 1.00 0.00 C ATOM 308 C ILE A 48 8.266 5.386 0.085 1.00 0.00 C ATOM 309 O ILE A 48 9.095 6.216 0.410 1.00 0.00 O ATOM 310 CB ILE A 48 6.611 5.618 1.980 1.00 0.00 C ATOM 311 CG1 ILE A 48 5.824 4.850 3.051 1.00 0.00 C ATOM 312 CG2 ILE A 48 5.623 6.368 1.081 1.00 0.00 C ATOM 313 CD1 ILE A 48 5.147 5.841 4.000 1.00 0.00 C ATOM 0 H ILE A 48 8.542 4.470 2.964 1.00 0.00 H new ATOM 0 HA ILE A 48 6.807 3.931 0.599 1.00 0.00 H new ATOM 0 HB ILE A 48 7.286 6.328 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.075 4.213 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.493 4.196 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.038 7.063 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.172 6.922 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.955 5.654 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.589 5.294 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.905 6.459 4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.465 6.477 3.436 1.00 0.00 H new ATOM 325 N ALA A 49 8.026 5.103 -1.176 1.00 0.00 N ATOM 326 CA ALA A 49 8.772 5.797 -2.270 1.00 0.00 C ATOM 327 C ALA A 49 7.808 6.675 -3.073 1.00 0.00 C ATOM 328 O ALA A 49 6.708 6.268 -3.394 1.00 0.00 O ATOM 329 CB ALA A 49 9.342 4.676 -3.143 1.00 0.00 C ATOM 0 H ALA A 49 7.341 4.417 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 49 9.561 6.447 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.905 5.109 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.002 4.049 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.526 4.071 -3.537 1.00 0.00 H new ATOM 335 N GLU A 50 8.218 7.880 -3.395 1.00 0.00 N ATOM 336 CA GLU A 50 7.329 8.814 -4.176 1.00 0.00 C ATOM 337 C GLU A 50 6.836 8.161 -5.473 1.00 0.00 C ATOM 338 O GLU A 50 5.778 8.491 -5.977 1.00 0.00 O ATOM 339 CB GLU A 50 8.201 10.032 -4.496 1.00 0.00 C ATOM 340 CG GLU A 50 7.351 11.101 -5.185 1.00 0.00 C ATOM 341 CD GLU A 50 8.242 12.271 -5.609 1.00 0.00 C ATOM 342 OE1 GLU A 50 9.378 12.023 -5.976 1.00 0.00 O ATOM 343 OE2 GLU A 50 7.771 13.396 -5.560 1.00 0.00 O ATOM 0 H GLU A 50 9.132 8.262 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 50 6.439 9.080 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.635 10.432 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.030 9.740 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.851 10.677 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.571 11.451 -4.509 1.00 0.00 H new ATOM 350 N SER A 51 7.599 7.238 -6.008 1.00 0.00 N ATOM 351 CA SER A 51 7.192 6.551 -7.273 1.00 0.00 C ATOM 352 C SER A 51 6.300 5.348 -6.966 1.00 0.00 C ATOM 353 O SER A 51 5.467 4.964 -7.766 1.00 0.00 O ATOM 354 CB SER A 51 8.502 6.097 -7.916 1.00 0.00 C ATOM 355 OG SER A 51 9.061 5.040 -7.147 1.00 0.00 O ATOM 0 H SER A 51 8.491 6.930 -5.620 1.00 0.00 H new ATOM 0 HA SER A 51 6.619 7.206 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.322 5.763 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.201 6.931 -7.972 1.00 0.00 H new ATOM 0 HG SER A 51 9.901 4.745 -7.558 1.00 0.00 H new ATOM 361 N ARG A 52 6.472 4.745 -5.810 1.00 0.00 N ATOM 362 CA ARG A 52 5.644 3.553 -5.430 1.00 0.00 C ATOM 363 C ARG A 52 5.954 3.145 -3.991 1.00 0.00 C ATOM 364 O ARG A 52 6.755 3.777 -3.322 1.00 0.00 O ATOM 365 CB ARG A 52 6.039 2.430 -6.406 1.00 0.00 C ATOM 366 CG ARG A 52 7.545 2.157 -6.322 1.00 0.00 C ATOM 367 CD ARG A 52 7.940 1.133 -7.392 1.00 0.00 C ATOM 368 NE ARG A 52 9.377 0.814 -7.136 1.00 0.00 N ATOM 369 CZ ARG A 52 9.988 -0.065 -7.880 1.00 0.00 C ATOM 370 NH1 ARG A 52 10.009 0.078 -9.176 1.00 0.00 N ATOM 371 NH2 ARG A 52 10.582 -1.090 -7.327 1.00 0.00 N ATOM 0 H ARG A 52 7.156 5.030 -5.109 1.00 0.00 H new ATOM 0 HA ARG A 52 4.577 3.766 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.484 1.522 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.770 2.712 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.102 3.083 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.803 1.782 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.322 0.238 -7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.802 1.540 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 52 9.878 1.283 -6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.547 0.878 -9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.487 -0.610 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.567 -1.202 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.060 -1.778 -7.909 1.00 0.00 H new ATOM 385 N LEU A 53 5.334 2.093 -3.520 1.00 0.00 N ATOM 386 CA LEU A 53 5.591 1.624 -2.125 1.00 0.00 C ATOM 387 C LEU A 53 6.432 0.347 -2.155 1.00 0.00 C ATOM 388 O LEU A 53 6.113 -0.595 -2.861 1.00 0.00 O ATOM 389 CB LEU A 53 4.204 1.354 -1.529 1.00 0.00 C ATOM 390 CG LEU A 53 4.129 1.938 -0.115 1.00 0.00 C ATOM 391 CD1 LEU A 53 2.665 2.105 0.294 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.831 0.994 0.863 1.00 0.00 C ATOM 0 H LEU A 53 4.658 1.537 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 53 6.143 2.354 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.434 1.800 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.012 0.281 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 53 4.621 2.911 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.614 2.521 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.167 2.779 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.169 1.134 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.778 1.408 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.340 0.021 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.875 0.879 0.572 1.00 0.00 H new ATOM 404 N SER A 54 7.506 0.318 -1.401 1.00 0.00 N ATOM 405 CA SER A 54 8.385 -0.891 -1.379 1.00 0.00 C ATOM 406 C SER A 54 8.395 -1.509 0.023 1.00 0.00 C ATOM 407 O SER A 54 8.672 -0.847 1.004 1.00 0.00 O ATOM 408 CB SER A 54 9.769 -0.378 -1.763 1.00 0.00 C ATOM 409 OG SER A 54 9.750 0.047 -3.119 1.00 0.00 O ATOM 0 H SER A 54 7.811 1.083 -0.799 1.00 0.00 H new ATOM 0 HA SER A 54 8.043 -1.670 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.056 0.449 -1.114 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.512 -1.164 -1.626 1.00 0.00 H new ATOM 0 HG SER A 54 10.637 0.379 -3.370 1.00 0.00 H new ATOM 415 N TRP A 55 8.071 -2.773 0.110 1.00 0.00 N ATOM 416 CA TRP A 55 8.026 -3.471 1.430 1.00 0.00 C ATOM 417 C TRP A 55 9.036 -4.612 1.484 1.00 0.00 C ATOM 418 O TRP A 55 9.245 -5.307 0.504 1.00 0.00 O ATOM 419 CB TRP A 55 6.613 -4.042 1.509 1.00 0.00 C ATOM 420 CG TRP A 55 6.110 -3.983 2.910 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.413 -2.955 3.416 1.00 0.00 C ATOM 422 CD2 TRP A 55 6.233 -4.963 3.988 1.00 0.00 C ATOM 423 NE1 TRP A 55 5.075 -3.237 4.724 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.560 -4.460 5.126 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.848 -6.225 4.094 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.490 -5.176 6.317 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.779 -6.950 5.295 1.00 0.00 C ATOM 428 CH2 TRP A 55 6.099 -6.426 6.401 1.00 0.00 C ATOM 0 H TRP A 55 7.832 -3.360 -0.689 1.00 0.00 H new ATOM 0 HA TRP A 55 8.267 -2.796 2.251 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.949 -3.480 0.853 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.610 -5.074 1.157 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.157 -2.050 2.884 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.531 -2.614 5.321 1.00 0.00 H new ATOM 0 HE3 TRP A 55 7.376 -6.638 3.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.968 -4.766 7.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 7.253 -7.918 5.366 1.00 0.00 H new ATOM 0 HH2 TRP A 55 6.047 -6.991 7.320 1.00 0.00 H new ATOM 439 N LEU A 56 9.632 -4.830 2.631 1.00 0.00 N ATOM 440 CA LEU A 56 10.598 -5.953 2.767 1.00 0.00 C ATOM 441 C LEU A 56 9.961 -7.053 3.609 1.00 0.00 C ATOM 442 O LEU A 56 9.495 -6.809 4.723 1.00 0.00 O ATOM 443 CB LEU A 56 11.822 -5.346 3.463 1.00 0.00 C ATOM 444 CG LEU A 56 12.989 -6.361 3.654 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.675 -7.291 4.816 1.00 0.00 C ATOM 446 CD2 LEU A 56 13.242 -7.213 2.389 1.00 0.00 C ATOM 0 H LEU A 56 9.488 -4.277 3.476 1.00 0.00 H new ATOM 0 HA LEU A 56 10.878 -6.401 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.179 -4.498 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.523 -4.959 4.437 1.00 0.00 H new ATOM 0 HG LEU A 56 13.889 -5.780 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.493 -7.999 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.553 -6.706 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.754 -7.835 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.064 -7.904 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.342 -7.777 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.498 -6.559 1.555 1.00 0.00 H new ATOM 458 N ASP A 57 9.958 -8.258 3.080 1.00 0.00 N ATOM 459 CA ASP A 57 9.359 -9.414 3.802 1.00 0.00 C ATOM 460 C ASP A 57 10.353 -10.023 4.794 1.00 0.00 C ATOM 461 O ASP A 57 11.511 -10.261 4.488 1.00 0.00 O ATOM 462 CB ASP A 57 8.995 -10.431 2.721 1.00 0.00 C ATOM 463 CG ASP A 57 7.960 -11.414 3.272 1.00 0.00 C ATOM 464 OD1 ASP A 57 6.788 -11.074 3.268 1.00 0.00 O ATOM 465 OD2 ASP A 57 8.356 -12.490 3.689 1.00 0.00 O ATOM 0 H ASP A 57 10.352 -8.484 2.167 1.00 0.00 H new ATOM 0 HA ASP A 57 8.490 -9.107 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.596 -9.919 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.886 -10.968 2.398 1.00 0.00 H new ATOM 470 N GLY A 58 9.871 -10.277 5.984 1.00 0.00 N ATOM 471 CA GLY A 58 10.692 -10.858 7.087 1.00 0.00 C ATOM 472 C GLY A 58 11.415 -12.151 6.684 1.00 0.00 C ATOM 473 O GLY A 58 12.339 -12.566 7.367 1.00 0.00 O ATOM 0 H GLY A 58 8.901 -10.097 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.429 -10.122 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.048 -11.061 7.943 1.00 0.00 H new ATOM 477 N SER A 59 11.020 -12.798 5.602 1.00 0.00 N ATOM 478 CA SER A 59 11.704 -14.066 5.188 1.00 0.00 C ATOM 479 C SER A 59 12.947 -13.780 4.326 1.00 0.00 C ATOM 480 O SER A 59 13.469 -14.677 3.687 1.00 0.00 O ATOM 481 CB SER A 59 10.658 -14.829 4.375 1.00 0.00 C ATOM 482 OG SER A 59 11.268 -15.964 3.774 1.00 0.00 O ATOM 0 H SER A 59 10.257 -12.500 4.994 1.00 0.00 H new ATOM 0 HA SER A 59 12.057 -14.630 6.052 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.836 -15.142 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.233 -14.181 3.608 1.00 0.00 H new ATOM 0 HG SER A 59 12.243 -15.879 3.828 1.00 0.00 H new ATOM 488 N GLY A 60 13.428 -12.548 4.303 1.00 0.00 N ATOM 489 CA GLY A 60 14.631 -12.222 3.485 1.00 0.00 C ATOM 490 C GLY A 60 14.239 -11.966 2.039 1.00 0.00 C ATOM 491 O GLY A 60 15.044 -12.135 1.137 1.00 0.00 O ATOM 0 H GLY A 60 13.032 -11.762 4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.129 -11.343 3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.345 -13.044 3.534 1.00 0.00 H new ATOM 495 N LEU A 61 13.013 -11.564 1.810 1.00 0.00 N ATOM 496 CA LEU A 61 12.557 -11.300 0.415 1.00 0.00 C ATOM 497 C LEU A 61 11.936 -9.912 0.336 1.00 0.00 C ATOM 498 O LEU A 61 10.989 -9.609 1.036 1.00 0.00 O ATOM 499 CB LEU A 61 11.502 -12.374 0.116 1.00 0.00 C ATOM 500 CG LEU A 61 12.115 -13.774 0.271 1.00 0.00 C ATOM 501 CD1 LEU A 61 10.999 -14.820 0.260 1.00 0.00 C ATOM 502 CD2 LEU A 61 13.073 -14.047 -0.890 1.00 0.00 C ATOM 0 H LEU A 61 12.309 -11.408 2.532 1.00 0.00 H new ATOM 0 HA LEU A 61 13.378 -11.336 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.656 -12.262 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.119 -12.246 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 61 12.661 -13.827 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.431 -15.815 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.313 -14.629 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.456 -14.763 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.507 -15.041 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.528 -13.993 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.868 -13.302 -0.888 1.00 0.00 H new ATOM 514 N GLY A 62 12.471 -9.075 -0.510 1.00 0.00 N ATOM 515 CA GLY A 62 11.928 -7.695 -0.652 1.00 0.00 C ATOM 516 C GLY A 62 10.932 -7.638 -1.808 1.00 0.00 C ATOM 517 O GLY A 62 11.170 -8.184 -2.870 1.00 0.00 O ATOM 0 H GLY A 62 13.266 -9.289 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.440 -7.391 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.742 -6.992 -0.829 1.00 0.00 H new ATOM 521 N PHE A 63 9.826 -6.959 -1.608 1.00 0.00 N ATOM 522 CA PHE A 63 8.814 -6.826 -2.710 1.00 0.00 C ATOM 523 C PHE A 63 8.087 -5.474 -2.599 1.00 0.00 C ATOM 524 O PHE A 63 7.829 -4.990 -1.511 1.00 0.00 O ATOM 525 CB PHE A 63 7.880 -8.068 -2.592 1.00 0.00 C ATOM 526 CG PHE A 63 6.771 -7.911 -1.557 1.00 0.00 C ATOM 527 CD1 PHE A 63 7.070 -7.578 -0.233 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.439 -8.118 -1.942 1.00 0.00 C ATOM 529 CE1 PHE A 63 6.039 -7.453 0.707 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.408 -7.990 -1.003 1.00 0.00 C ATOM 531 CZ PHE A 63 4.705 -7.658 0.322 1.00 0.00 C ATOM 0 H PHE A 63 9.580 -6.493 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 63 9.262 -6.818 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.430 -8.266 -3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.482 -8.940 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.095 -7.417 0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.208 -8.377 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.271 -7.198 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.383 -8.148 -1.303 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.911 -7.560 1.047 1.00 0.00 H new ATOM 541 N SER A 64 7.783 -4.856 -3.719 1.00 0.00 N ATOM 542 CA SER A 64 7.103 -3.524 -3.690 1.00 0.00 C ATOM 543 C SER A 64 5.759 -3.566 -4.417 1.00 0.00 C ATOM 544 O SER A 64 5.542 -4.372 -5.302 1.00 0.00 O ATOM 545 CB SER A 64 8.066 -2.580 -4.409 1.00 0.00 C ATOM 546 OG SER A 64 8.198 -2.987 -5.764 1.00 0.00 O ATOM 0 H SER A 64 7.978 -5.220 -4.652 1.00 0.00 H new ATOM 0 HA SER A 64 6.886 -3.207 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.695 -1.556 -4.359 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.039 -2.591 -3.918 1.00 0.00 H new ATOM 0 HG SER A 64 8.536 -2.239 -6.299 1.00 0.00 H new ATOM 552 N LEU A 65 4.862 -2.687 -4.042 1.00 0.00 N ATOM 553 CA LEU A 65 3.521 -2.636 -4.692 1.00 0.00 C ATOM 554 C LEU A 65 3.304 -1.260 -5.333 1.00 0.00 C ATOM 555 O LEU A 65 3.776 -0.251 -4.830 1.00 0.00 O ATOM 556 CB LEU A 65 2.518 -2.864 -3.560 1.00 0.00 C ATOM 557 CG LEU A 65 2.733 -4.254 -2.959 1.00 0.00 C ATOM 558 CD1 LEU A 65 3.794 -4.177 -1.860 1.00 0.00 C ATOM 559 CD2 LEU A 65 1.418 -4.759 -2.362 1.00 0.00 C ATOM 0 H LEU A 65 5.006 -1.997 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 65 3.415 -3.380 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.641 -2.101 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.500 -2.773 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 65 3.067 -4.939 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.947 -5.168 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.731 -3.816 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.461 -3.492 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.570 -5.750 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.085 -4.073 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.661 -4.814 -3.144 1.00 0.00 H new ATOM 654 N SER A 71 -8.084 3.096 0.742 1.00 0.00 N ATOM 655 CA SER A 71 -9.565 3.174 0.558 1.00 0.00 C ATOM 656 C SER A 71 -10.200 3.560 1.897 1.00 0.00 C ATOM 657 O SER A 71 -10.617 4.689 2.091 1.00 0.00 O ATOM 658 CB SER A 71 -9.997 1.774 0.110 1.00 0.00 C ATOM 659 OG SER A 71 -10.695 1.874 -1.124 1.00 0.00 O ATOM 0 HA SER A 71 -9.872 3.918 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.125 1.130 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.635 1.317 0.867 1.00 0.00 H new ATOM 0 HG SER A 71 -11.457 1.258 -1.120 1.00 0.00 H new ATOM 665 N LEU A 72 -10.242 2.637 2.832 1.00 0.00 N ATOM 666 CA LEU A 72 -10.806 2.943 4.181 1.00 0.00 C ATOM 667 C LEU A 72 -9.686 2.793 5.209 1.00 0.00 C ATOM 668 O LEU A 72 -9.435 1.706 5.663 1.00 0.00 O ATOM 669 CB LEU A 72 -11.927 1.902 4.397 1.00 0.00 C ATOM 670 CG LEU A 72 -12.663 2.111 5.740 1.00 0.00 C ATOM 671 CD1 LEU A 72 -13.968 1.316 5.713 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.835 1.608 6.924 1.00 0.00 C ATOM 0 H LEU A 72 -9.907 1.681 2.714 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.204 3.953 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.643 1.966 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.500 0.899 4.370 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.841 3.179 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.498 1.455 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.591 1.668 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.747 0.258 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.386 1.773 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.638 0.543 6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.890 2.150 6.963 1.00 0.00 H new ATOM 684 N HIS A 73 -8.977 3.860 5.534 1.00 0.00 N ATOM 685 CA HIS A 73 -7.828 3.751 6.486 1.00 0.00 C ATOM 686 C HIS A 73 -8.158 4.317 7.872 1.00 0.00 C ATOM 687 O HIS A 73 -8.660 5.415 8.022 1.00 0.00 O ATOM 688 CB HIS A 73 -6.690 4.550 5.829 1.00 0.00 C ATOM 689 CG HIS A 73 -7.093 5.993 5.634 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.713 6.439 4.479 1.00 0.00 N ATOM 691 CD2 HIS A 73 -6.968 7.096 6.443 1.00 0.00 C ATOM 692 CE1 HIS A 73 -7.935 7.758 4.621 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.500 8.208 5.801 1.00 0.00 N ATOM 0 H HIS A 73 -9.151 4.799 5.177 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.564 2.708 6.659 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.796 4.498 6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.435 4.105 4.867 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.957 5.871 3.668 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.524 7.099 7.428 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.407 8.377 3.873 1.00 0.00 H new ATOM 701 N ALA A 74 -7.864 3.538 8.883 1.00 0.00 N ATOM 702 CA ALA A 74 -8.126 3.947 10.288 1.00 0.00 C ATOM 703 C ALA A 74 -6.806 4.300 10.978 1.00 0.00 C ATOM 704 O ALA A 74 -5.909 3.476 11.071 1.00 0.00 O ATOM 705 CB ALA A 74 -8.747 2.705 10.941 1.00 0.00 C ATOM 0 H ALA A 74 -7.443 2.614 8.785 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.774 4.820 10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.974 2.918 11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.665 2.439 10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.044 1.874 10.884 1.00 0.00 H new ATOM 711 N VAL A 75 -6.687 5.513 11.461 1.00 0.00 N ATOM 712 CA VAL A 75 -5.433 5.942 12.153 1.00 0.00 C ATOM 713 C VAL A 75 -5.772 6.590 13.500 1.00 0.00 C ATOM 714 O VAL A 75 -6.833 7.166 13.665 1.00 0.00 O ATOM 715 CB VAL A 75 -4.766 6.950 11.207 1.00 0.00 C ATOM 716 CG1 VAL A 75 -4.431 6.259 9.883 1.00 0.00 C ATOM 717 CG2 VAL A 75 -5.710 8.129 10.934 1.00 0.00 C ATOM 0 H VAL A 75 -7.411 6.229 11.405 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.771 5.103 12.365 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.855 7.323 11.675 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.957 6.973 9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.750 5.428 10.068 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.347 5.883 9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.224 8.836 10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.627 7.762 10.473 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.950 8.628 11.873 1.00 0.00 H new ATOM 876 N GLU A 85 -0.696 1.734 18.736 1.00 0.00 N ATOM 877 CA GLU A 85 -0.508 2.336 17.378 1.00 0.00 C ATOM 878 C GLU A 85 -0.878 1.307 16.304 1.00 0.00 C ATOM 879 O GLU A 85 -0.576 0.134 16.436 1.00 0.00 O ATOM 880 CB GLU A 85 0.976 2.730 17.292 1.00 0.00 C ATOM 881 CG GLU A 85 1.881 1.502 17.459 1.00 0.00 C ATOM 882 CD GLU A 85 3.318 1.878 17.102 1.00 0.00 C ATOM 883 OE1 GLU A 85 3.522 2.406 16.022 1.00 0.00 O ATOM 884 OE2 GLU A 85 4.192 1.629 17.916 1.00 0.00 O ATOM 0 HA GLU A 85 -1.145 3.206 17.218 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.175 3.205 16.331 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.207 3.464 18.064 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.833 1.138 18.485 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.535 0.692 16.817 1.00 0.00 H new ATOM 891 N HIS A 86 -1.548 1.733 15.252 1.00 0.00 N ATOM 892 CA HIS A 86 -1.957 0.774 14.170 1.00 0.00 C ATOM 893 C HIS A 86 -2.572 1.514 12.977 1.00 0.00 C ATOM 894 O HIS A 86 -3.460 2.334 13.145 1.00 0.00 O ATOM 895 CB HIS A 86 -3.011 -0.154 14.812 1.00 0.00 C ATOM 896 CG HIS A 86 -4.170 0.649 15.353 1.00 0.00 C ATOM 897 ND1 HIS A 86 -5.274 0.969 14.576 1.00 0.00 N ATOM 898 CD2 HIS A 86 -4.407 1.203 16.586 1.00 0.00 C ATOM 899 CE1 HIS A 86 -6.116 1.684 15.345 1.00 0.00 C ATOM 900 NE2 HIS A 86 -5.636 1.854 16.579 1.00 0.00 N ATOM 0 H HIS A 86 -1.828 2.702 15.098 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.097 0.223 13.791 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.371 -0.869 14.073 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.554 -0.730 15.617 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.740 1.143 17.433 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.065 2.073 15.005 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -6.076 2.354 17.351 1.00 0.00 H new ATOM 908 N LEU A 87 -2.135 1.200 11.775 1.00 0.00 N ATOM 909 CA LEU A 87 -2.723 1.850 10.565 1.00 0.00 C ATOM 910 C LEU A 87 -3.515 0.791 9.800 1.00 0.00 C ATOM 911 O LEU A 87 -2.956 -0.010 9.072 1.00 0.00 O ATOM 912 CB LEU A 87 -1.533 2.351 9.747 1.00 0.00 C ATOM 913 CG LEU A 87 -1.984 3.513 8.861 1.00 0.00 C ATOM 914 CD1 LEU A 87 -0.772 4.125 8.161 1.00 0.00 C ATOM 915 CD2 LEU A 87 -2.967 2.998 7.808 1.00 0.00 C ATOM 0 H LEU A 87 -1.397 0.522 11.585 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.397 2.675 10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.731 2.674 10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.133 1.544 9.133 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.469 4.270 9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.096 4.953 7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.067 4.492 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.287 3.368 7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.289 3.825 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.479 2.241 7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.834 2.560 8.303 1.00 0.00 H new ATOM 927 N TYR A 88 -4.807 0.768 9.979 1.00 0.00 N ATOM 928 CA TYR A 88 -5.646 -0.273 9.302 1.00 0.00 C ATOM 929 C TYR A 88 -6.258 0.270 8.025 1.00 0.00 C ATOM 930 O TYR A 88 -7.026 1.208 8.118 1.00 0.00 O ATOM 931 CB TYR A 88 -6.785 -0.514 10.308 1.00 0.00 C ATOM 932 CG TYR A 88 -7.224 -1.946 10.279 1.00 0.00 C ATOM 933 CD1 TYR A 88 -6.601 -2.835 11.127 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.252 -2.379 9.430 1.00 0.00 C ATOM 935 CE1 TYR A 88 -6.978 -4.165 11.157 1.00 0.00 C ATOM 936 CE2 TYR A 88 -8.642 -3.721 9.447 1.00 0.00 C ATOM 937 CZ TYR A 88 -8.004 -4.621 10.316 1.00 0.00 C ATOM 938 OH TYR A 88 -8.385 -5.947 10.342 1.00 0.00 O ATOM 0 H TYR A 88 -5.323 1.424 10.565 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.068 -1.160 9.041 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.452 -0.251 11.312 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.628 0.135 10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.809 -2.489 11.775 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.740 -1.680 8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.483 -4.852 11.827 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.431 -4.065 8.794 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.109 -6.092 9.698 1.00 0.00 H new ATOM 948 N VAL A 89 -6.000 -0.310 6.844 1.00 0.00 N ATOM 949 CA VAL A 89 -6.694 0.240 5.621 1.00 0.00 C ATOM 950 C VAL A 89 -7.398 -0.863 4.825 1.00 0.00 C ATOM 951 O VAL A 89 -6.814 -1.839 4.413 1.00 0.00 O ATOM 952 CB VAL A 89 -5.679 1.078 4.802 1.00 0.00 C ATOM 953 CG1 VAL A 89 -4.896 2.016 5.733 1.00 0.00 C ATOM 954 CG2 VAL A 89 -4.653 0.214 4.123 1.00 0.00 C ATOM 0 H VAL A 89 -5.371 -1.098 6.689 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.501 0.911 5.915 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.262 1.625 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.186 2.600 5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.589 2.688 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.357 1.426 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.963 0.843 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.100 -0.352 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.152 -0.476 3.442 1.00 0.00 H new ATOM 964 N MET A 90 -8.688 -0.717 4.654 1.00 0.00 N ATOM 965 CA MET A 90 -9.491 -1.762 3.949 1.00 0.00 C ATOM 966 C MET A 90 -10.022 -1.256 2.612 1.00 0.00 C ATOM 967 O MET A 90 -10.553 -0.165 2.520 1.00 0.00 O ATOM 968 CB MET A 90 -10.627 -2.061 4.924 1.00 0.00 C ATOM 969 CG MET A 90 -10.060 -2.786 6.152 1.00 0.00 C ATOM 970 SD MET A 90 -11.423 -3.544 7.074 1.00 0.00 S ATOM 971 CE MET A 90 -12.335 -2.020 7.420 1.00 0.00 C ATOM 0 H MET A 90 -9.224 0.089 4.976 1.00 0.00 H new ATOM 0 HA MET A 90 -8.903 -2.646 3.702 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.116 -1.135 5.227 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.385 -2.678 4.440 1.00 0.00 H new ATOM 0 HG2 MET A 90 -9.346 -3.549 5.842 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.521 -2.084 6.788 1.00 0.00 H new ATOM 0 HE1 MET A 90 -13.096 -2.215 8.176 1.00 0.00 H new ATOM 0 HE2 MET A 90 -11.646 -1.259 7.786 1.00 0.00 H new ATOM 0 HE3 MET A 90 -12.813 -1.667 6.506 1.00 0.00 H new ATOM 981 N VAL A 91 -9.874 -2.050 1.576 1.00 0.00 N ATOM 982 CA VAL A 91 -10.360 -1.636 0.226 1.00 0.00 C ATOM 983 C VAL A 91 -11.300 -2.701 -0.357 1.00 0.00 C ATOM 984 O VAL A 91 -11.117 -3.890 -0.148 1.00 0.00 O ATOM 985 CB VAL A 91 -9.087 -1.484 -0.624 1.00 0.00 C ATOM 986 CG1 VAL A 91 -8.330 -2.817 -0.691 1.00 0.00 C ATOM 987 CG2 VAL A 91 -9.463 -1.041 -2.042 1.00 0.00 C ATOM 0 H VAL A 91 -9.435 -2.970 1.611 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.934 -0.710 0.256 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.445 -0.733 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.431 -2.695 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.051 -3.128 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.970 -3.576 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.559 -0.934 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.114 -1.788 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.984 -0.085 -1.998 1.00 0.00 H new ATOM 997 N ASN A 92 -12.299 -2.271 -1.089 1.00 0.00 N ATOM 998 CA ASN A 92 -13.264 -3.234 -1.702 1.00 0.00 C ATOM 999 C ASN A 92 -12.785 -3.628 -3.102 1.00 0.00 C ATOM 1000 O ASN A 92 -12.600 -2.785 -3.961 1.00 0.00 O ATOM 1001 CB ASN A 92 -14.589 -2.471 -1.787 1.00 0.00 C ATOM 1002 CG ASN A 92 -15.052 -2.082 -0.380 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -14.665 -2.696 0.594 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -15.871 -1.076 -0.234 1.00 0.00 N ATOM 0 H ASN A 92 -12.487 -1.289 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.361 -4.152 -1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.467 -1.578 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.345 -3.089 -2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.186 -0.806 0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.196 -0.560 -1.052 1.00 0.00 H new ATOM 1011 N ALA A 93 -12.585 -4.906 -3.330 1.00 0.00 N ATOM 1012 CA ALA A 93 -12.112 -5.375 -4.670 1.00 0.00 C ATOM 1013 C ALA A 93 -13.240 -6.110 -5.401 1.00 0.00 C ATOM 1014 O ALA A 93 -14.001 -6.848 -4.801 1.00 0.00 O ATOM 1015 CB ALA A 93 -10.957 -6.331 -4.370 1.00 0.00 C ATOM 0 H ALA A 93 -12.730 -5.645 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.802 -4.549 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.554 -6.720 -5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.174 -5.798 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -11.319 -7.158 -3.759 1.00 0.00 H new ATOM 1320 N PRO A 115 -16.121 -10.247 -1.052 1.00 0.00 N ATOM 1321 CA PRO A 115 -16.071 -9.155 -2.059 1.00 0.00 C ATOM 1322 C PRO A 115 -15.119 -8.041 -1.609 1.00 0.00 C ATOM 1323 O PRO A 115 -14.584 -7.311 -2.424 1.00 0.00 O ATOM 1324 CB PRO A 115 -17.509 -8.645 -2.117 1.00 0.00 C ATOM 1325 CG PRO A 115 -18.102 -8.998 -0.793 1.00 0.00 C ATOM 1326 CD PRO A 115 -17.403 -10.242 -0.313 1.00 0.00 C ATOM 0 HA PRO A 115 -15.703 -9.493 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -17.539 -7.569 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -18.060 -9.113 -2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -17.969 -8.183 -0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -19.174 -9.170 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -17.241 -10.217 0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -17.989 -11.136 -0.527 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.913 -7.902 -0.318 1.00 0.00 N ATOM 1335 CA ILE A 116 -14.002 -6.831 0.198 1.00 0.00 C ATOM 1336 C ILE A 116 -12.733 -7.450 0.797 1.00 0.00 C ATOM 1337 O ILE A 116 -12.788 -8.452 1.489 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.818 -6.105 1.282 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -16.065 -5.485 0.646 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -13.977 -4.992 1.931 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -16.968 -4.917 1.741 1.00 0.00 C ATOM 0 H ILE A 116 -15.339 -8.487 0.401 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.675 -6.152 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 116 -15.106 -6.825 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.778 -4.696 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.604 -6.237 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.568 -4.488 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -13.088 -5.427 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.678 -4.271 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -17.856 -4.476 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.266 -5.717 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.427 -4.152 2.299 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.603 -6.832 0.553 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.324 -7.336 1.118 1.00 0.00 C ATOM 1355 C ALA A 117 -9.857 -6.349 2.186 1.00 0.00 C ATOM 1356 O ALA A 117 -9.721 -5.159 1.914 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.346 -7.373 -0.063 1.00 0.00 C ATOM 0 H ALA A 117 -11.517 -5.992 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.409 -8.320 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.377 -7.736 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.732 -8.039 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.233 -6.370 -0.474 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.617 -6.819 3.394 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.160 -5.880 4.471 1.00 0.00 C ATOM 1365 C GLU A 118 -7.638 -5.970 4.639 1.00 0.00 C ATOM 1366 O GLU A 118 -7.087 -7.021 4.892 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.927 -6.271 5.748 1.00 0.00 C ATOM 1368 CG GLU A 118 -9.502 -7.653 6.249 1.00 0.00 C ATOM 1369 CD GLU A 118 -10.702 -8.360 6.887 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -11.724 -8.461 6.228 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -10.577 -8.788 8.021 1.00 0.00 O ATOM 0 H GLU A 118 -9.716 -7.795 3.675 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.370 -4.839 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.746 -5.528 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.998 -6.268 5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.115 -8.248 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.696 -7.555 6.976 1.00 0.00 H new ATOM 1378 N PHE A 119 -6.971 -4.865 4.478 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.489 -4.836 4.602 1.00 0.00 C ATOM 1380 C PHE A 119 -5.144 -4.116 5.912 1.00 0.00 C ATOM 1381 O PHE A 119 -5.623 -3.031 6.178 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.091 -4.101 3.294 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.699 -3.489 3.287 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.362 -2.462 4.165 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.768 -3.912 2.330 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.107 -1.856 4.099 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.500 -3.313 2.268 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.177 -2.279 3.154 1.00 0.00 C ATOM 0 H PHE A 119 -7.398 -3.964 4.262 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.959 -5.786 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.164 -4.805 2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.818 -3.311 3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.078 -2.132 4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.026 -4.700 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.857 -1.058 4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.777 -3.649 1.540 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.206 -1.809 3.104 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.348 -4.730 6.759 1.00 0.00 N ATOM 1399 CA ARG A 120 -3.993 -4.079 8.059 1.00 0.00 C ATOM 1400 C ARG A 120 -2.482 -3.909 8.107 1.00 0.00 C ATOM 1401 O ARG A 120 -1.746 -4.878 8.053 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.521 -5.072 9.128 1.00 0.00 C ATOM 1403 CG ARG A 120 -3.935 -4.788 10.526 1.00 0.00 C ATOM 1404 CD ARG A 120 -4.270 -5.948 11.467 1.00 0.00 C ATOM 1405 NE ARG A 120 -4.192 -5.369 12.836 1.00 0.00 N ATOM 1406 CZ ARG A 120 -3.898 -6.134 13.851 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -2.763 -6.775 13.879 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -4.742 -6.255 14.840 1.00 0.00 N ATOM 0 H ARG A 120 -3.932 -5.649 6.606 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.421 -3.088 8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.608 -5.011 9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.271 -6.090 8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.855 -4.660 10.460 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -4.342 -3.857 10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -5.264 -6.347 11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.565 -6.771 11.346 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.368 -4.375 12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -2.104 -6.679 13.107 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -2.534 -7.373 14.673 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.629 -5.752 14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.514 -6.853 15.635 1.00 0.00 H new ATOM 1422 N PHE A 121 -2.009 -2.692 8.223 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.539 -2.466 8.305 1.00 0.00 C ATOM 1424 C PHE A 121 -0.299 -1.798 9.631 1.00 0.00 C ATOM 1425 O PHE A 121 -0.740 -0.687 9.878 1.00 0.00 O ATOM 1426 CB PHE A 121 -0.160 -1.620 7.078 1.00 0.00 C ATOM 1427 CG PHE A 121 0.379 -2.536 5.968 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.308 -3.711 5.601 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.575 -2.223 5.316 1.00 0.00 C ATOM 1430 CE1 PHE A 121 0.184 -4.547 4.606 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.063 -3.069 4.306 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.362 -4.231 3.956 1.00 0.00 C ATOM 0 H PHE A 121 -2.580 -1.848 8.264 1.00 0.00 H new ATOM 0 HA PHE A 121 0.079 -3.363 8.274 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.030 -1.070 6.719 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.593 -0.881 7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.231 -3.965 6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.123 -1.333 5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.355 -5.445 4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 121 2.983 -2.823 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.742 -4.879 3.180 1.00 0.00 H new ATOM 1442 N VAL A 122 0.306 -2.527 10.531 1.00 0.00 N ATOM 1443 CA VAL A 122 0.454 -2.004 11.915 1.00 0.00 C ATOM 1444 C VAL A 122 1.933 -1.901 12.353 1.00 0.00 C ATOM 1445 O VAL A 122 2.624 -2.900 12.373 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.339 -3.020 12.780 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -0.436 -2.492 14.202 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -1.785 -3.270 12.237 1.00 0.00 C ATOM 0 H VAL A 122 0.700 -3.454 10.367 1.00 0.00 H new ATOM 0 HA VAL A 122 0.079 -0.985 12.013 1.00 0.00 H new ATOM 0 HB VAL A 122 0.198 -3.968 12.745 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.992 -3.200 14.816 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.566 -2.365 14.612 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.952 -1.532 14.199 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.295 -3.988 12.879 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.339 -2.331 12.231 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.729 -3.665 11.223 1.00 0.00 H new ATOM 1458 N PRO A 123 2.393 -0.700 12.682 1.00 0.00 N ATOM 1459 CA PRO A 123 3.802 -0.529 13.099 1.00 0.00 C ATOM 1460 C PRO A 123 3.954 -0.714 14.611 1.00 0.00 C ATOM 1461 O PRO A 123 3.098 -0.315 15.383 1.00 0.00 O ATOM 1462 CB PRO A 123 4.108 0.914 12.710 1.00 0.00 C ATOM 1463 CG PRO A 123 2.787 1.628 12.705 1.00 0.00 C ATOM 1464 CD PRO A 123 1.686 0.591 12.699 1.00 0.00 C ATOM 0 HA PRO A 123 4.470 -1.256 12.637 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.797 1.372 13.420 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.582 0.962 11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.699 2.270 13.582 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.707 2.272 11.829 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.050 0.683 13.579 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.042 0.702 11.827 1.00 0.00 H new ATOM 1472 N SER A 124 5.048 -1.302 15.033 1.00 0.00 N ATOM 1473 CA SER A 124 5.289 -1.508 16.494 1.00 0.00 C ATOM 1474 C SER A 124 6.179 -0.383 17.047 1.00 0.00 C ATOM 1475 O SER A 124 6.888 -0.567 18.017 1.00 0.00 O ATOM 1476 CB SER A 124 6.006 -2.853 16.593 1.00 0.00 C ATOM 1477 OG SER A 124 6.185 -3.190 17.961 1.00 0.00 O ATOM 0 H SER A 124 5.788 -1.650 14.423 1.00 0.00 H new ATOM 0 HA SER A 124 4.364 -1.496 17.070 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.425 -3.626 16.089 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.972 -2.801 16.090 1.00 0.00 H new ATOM 0 HG SER A 124 6.476 -2.397 18.458 1.00 0.00 H new ATOM 1483 N ASP A 125 6.142 0.778 16.427 1.00 0.00 N ATOM 1484 CA ASP A 125 6.978 1.924 16.900 1.00 0.00 C ATOM 1485 C ASP A 125 6.170 3.217 16.869 1.00 0.00 C ATOM 1486 O ASP A 125 5.683 3.630 15.834 1.00 0.00 O ATOM 1487 CB ASP A 125 8.155 1.989 15.917 1.00 0.00 C ATOM 1488 CG ASP A 125 9.456 2.260 16.677 1.00 0.00 C ATOM 1489 OD1 ASP A 125 9.582 1.775 17.789 1.00 0.00 O ATOM 1490 OD2 ASP A 125 10.304 2.946 16.131 1.00 0.00 O ATOM 0 H ASP A 125 5.564 0.977 15.610 1.00 0.00 H new ATOM 0 HA ASP A 125 7.317 1.794 17.928 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.233 1.051 15.368 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.983 2.775 15.182 1.00 0.00 H new ATOM 1495 N LYS A 126 6.028 3.873 18.007 1.00 0.00 N ATOM 1496 CA LYS A 126 5.251 5.164 18.061 1.00 0.00 C ATOM 1497 C LYS A 126 5.825 6.160 17.044 1.00 0.00 C ATOM 1498 O LYS A 126 5.105 6.924 16.424 1.00 0.00 O ATOM 1499 CB LYS A 126 5.411 5.686 19.498 1.00 0.00 C ATOM 1500 CG LYS A 126 6.895 5.911 19.825 1.00 0.00 C ATOM 1501 CD LYS A 126 7.027 6.439 21.254 1.00 0.00 C ATOM 1502 CE LYS A 126 6.787 5.298 22.245 1.00 0.00 C ATOM 1503 NZ LYS A 126 8.135 4.710 22.485 1.00 0.00 N ATOM 0 H LYS A 126 6.417 3.569 18.900 1.00 0.00 H new ATOM 0 HA LYS A 126 4.199 5.024 17.811 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.861 6.620 19.616 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.982 4.972 20.201 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.448 4.978 19.718 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.330 6.621 19.122 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.019 6.864 21.406 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.308 7.240 21.425 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.345 5.665 23.171 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.100 4.557 21.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.054 3.919 23.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 8.527 4.363 21.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.765 5.437 22.880 1.00 0.00 H new ATOM 1517 N SER A 127 7.121 6.107 16.856 1.00 0.00 N ATOM 1518 CA SER A 127 7.777 6.998 15.857 1.00 0.00 C ATOM 1519 C SER A 127 7.380 6.535 14.456 1.00 0.00 C ATOM 1520 O SER A 127 7.278 7.333 13.538 1.00 0.00 O ATOM 1521 CB SER A 127 9.283 6.837 16.077 1.00 0.00 C ATOM 1522 OG SER A 127 9.670 5.517 15.713 1.00 0.00 O ATOM 0 H SER A 127 7.753 5.481 17.355 1.00 0.00 H new ATOM 0 HA SER A 127 7.482 8.042 15.964 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.830 7.567 15.480 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.533 7.027 17.121 1.00 0.00 H new ATOM 0 HG SER A 127 9.732 4.961 16.517 1.00 0.00 H new ATOM 1528 N ALA A 128 7.141 5.244 14.287 1.00 0.00 N ATOM 1529 CA ALA A 128 6.732 4.729 12.942 1.00 0.00 C ATOM 1530 C ALA A 128 5.278 5.119 12.666 1.00 0.00 C ATOM 1531 O ALA A 128 4.904 5.395 11.539 1.00 0.00 O ATOM 1532 CB ALA A 128 6.872 3.208 13.021 1.00 0.00 C ATOM 0 H ALA A 128 7.213 4.538 15.019 1.00 0.00 H new ATOM 0 HA ALA A 128 7.343 5.142 12.139 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.587 2.766 12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.907 2.949 13.247 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.222 2.823 13.807 1.00 0.00 H new ATOM 1538 N LEU A 129 4.462 5.144 13.694 1.00 0.00 N ATOM 1539 CA LEU A 129 3.022 5.519 13.512 1.00 0.00 C ATOM 1540 C LEU A 129 2.903 7.002 13.154 1.00 0.00 C ATOM 1541 O LEU A 129 2.173 7.368 12.248 1.00 0.00 O ATOM 1542 CB LEU A 129 2.349 5.241 14.861 1.00 0.00 C ATOM 1543 CG LEU A 129 0.846 5.500 14.742 1.00 0.00 C ATOM 1544 CD1 LEU A 129 0.171 4.302 14.073 1.00 0.00 C ATOM 1545 CD2 LEU A 129 0.254 5.705 16.139 1.00 0.00 C ATOM 0 H LEU A 129 4.731 4.921 14.652 1.00 0.00 H new ATOM 0 HA LEU A 129 2.555 4.954 12.705 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.529 4.209 15.164 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.779 5.879 15.633 1.00 0.00 H new ATOM 0 HG LEU A 129 0.678 6.393 14.139 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.900 4.488 13.989 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.593 4.155 13.079 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.338 3.408 14.674 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.817 5.890 16.057 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.423 4.812 16.740 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.734 6.560 16.616 1.00 0.00 H new ATOM 1557 N GLU A 130 3.615 7.856 13.860 1.00 0.00 N ATOM 1558 CA GLU A 130 3.545 9.323 13.565 1.00 0.00 C ATOM 1559 C GLU A 130 4.153 9.613 12.185 1.00 0.00 C ATOM 1560 O GLU A 130 3.664 10.455 11.449 1.00 0.00 O ATOM 1561 CB GLU A 130 4.334 10.013 14.691 1.00 0.00 C ATOM 1562 CG GLU A 130 5.810 9.595 14.669 1.00 0.00 C ATOM 1563 CD GLU A 130 6.562 10.334 15.778 1.00 0.00 C ATOM 1564 OE1 GLU A 130 6.104 10.290 16.908 1.00 0.00 O ATOM 1565 OE2 GLU A 130 7.583 10.932 15.479 1.00 0.00 O ATOM 0 H GLU A 130 4.239 7.598 14.625 1.00 0.00 H new ATOM 0 HA GLU A 130 2.519 9.690 13.533 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.258 11.095 14.582 1.00 0.00 H new ATOM 0 HB3 GLU A 130 3.895 9.758 15.656 1.00 0.00 H new ATOM 0 HG2 GLU A 130 5.897 8.518 14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.251 9.826 13.699 1.00 0.00 H new ATOM 1572 N ALA A 131 5.207 8.912 11.831 1.00 0.00 N ATOM 1573 CA ALA A 131 5.851 9.129 10.496 1.00 0.00 C ATOM 1574 C ALA A 131 4.909 8.657 9.386 1.00 0.00 C ATOM 1575 O ALA A 131 4.809 9.275 8.341 1.00 0.00 O ATOM 1576 CB ALA A 131 7.129 8.285 10.509 1.00 0.00 C ATOM 0 H ALA A 131 5.648 8.198 12.411 1.00 0.00 H new ATOM 0 HA ALA A 131 6.072 10.181 10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.650 8.399 9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.777 8.618 11.320 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.871 7.237 10.658 1.00 0.00 H new ATOM 1582 N MET A 132 4.215 7.569 9.619 1.00 0.00 N ATOM 1583 CA MET A 132 3.262 7.040 8.591 1.00 0.00 C ATOM 1584 C MET A 132 2.080 7.998 8.449 1.00 0.00 C ATOM 1585 O MET A 132 1.577 8.221 7.362 1.00 0.00 O ATOM 1586 CB MET A 132 2.795 5.680 9.120 1.00 0.00 C ATOM 1587 CG MET A 132 2.187 4.864 7.978 1.00 0.00 C ATOM 1588 SD MET A 132 3.494 4.376 6.825 1.00 0.00 S ATOM 1589 CE MET A 132 3.573 2.632 7.299 1.00 0.00 C ATOM 0 H MET A 132 4.267 7.023 10.479 1.00 0.00 H new ATOM 0 HA MET A 132 3.725 6.943 7.609 1.00 0.00 H new ATOM 0 HB2 MET A 132 3.635 5.141 9.558 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.059 5.820 9.912 1.00 0.00 H new ATOM 0 HG2 MET A 132 1.688 3.980 8.374 1.00 0.00 H new ATOM 0 HG3 MET A 132 1.430 5.452 7.459 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.153 2.080 6.559 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.050 2.541 8.275 1.00 0.00 H new ATOM 0 HE3 MET A 132 2.564 2.222 7.349 1.00 0.00 H new ATOM 1599 N PHE A 133 1.643 8.568 9.548 1.00 0.00 N ATOM 1600 CA PHE A 133 0.493 9.529 9.503 1.00 0.00 C ATOM 1601 C PHE A 133 0.909 10.778 8.762 1.00 0.00 C ATOM 1602 O PHE A 133 0.145 11.321 7.985 1.00 0.00 O ATOM 1603 CB PHE A 133 0.131 9.802 10.979 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.521 8.574 11.660 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.775 7.361 10.963 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.877 8.667 13.012 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.368 6.279 11.620 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.471 7.577 13.664 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.716 6.386 12.970 1.00 0.00 C ATOM 0 H PHE A 133 2.034 8.409 10.476 1.00 0.00 H new ATOM 0 HA PHE A 133 -0.375 9.139 8.971 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.031 10.083 11.526 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -0.552 10.650 11.033 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.508 7.275 9.920 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.693 9.583 13.554 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.557 5.360 11.085 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.741 7.657 14.707 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.174 5.550 13.477 1.00 0.00 H new ATOM 1619 N THR A 134 2.130 11.207 8.957 1.00 0.00 N ATOM 1620 CA THR A 134 2.631 12.394 8.212 1.00 0.00 C ATOM 1621 C THR A 134 2.725 12.009 6.732 1.00 0.00 C ATOM 1622 O THR A 134 2.474 12.814 5.852 1.00 0.00 O ATOM 1623 CB THR A 134 4.014 12.704 8.789 1.00 0.00 C ATOM 1624 OG1 THR A 134 3.913 12.869 10.197 1.00 0.00 O ATOM 1625 CG2 THR A 134 4.558 13.988 8.161 1.00 0.00 C ATOM 0 H THR A 134 2.799 10.785 9.601 1.00 0.00 H new ATOM 0 HA THR A 134 1.983 13.266 8.303 1.00 0.00 H new ATOM 0 HB THR A 134 4.692 11.880 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 134 3.903 11.990 10.630 1.00 0.00 H new ATOM 0 HG21 THR A 134 5.543 14.206 8.574 1.00 0.00 H new ATOM 0 HG22 THR A 134 4.637 13.860 7.081 1.00 0.00 H new ATOM 0 HG23 THR A 134 3.882 14.815 8.379 1.00 0.00 H new ATOM 1633 N ALA A 135 3.065 10.761 6.463 1.00 0.00 N ATOM 1634 CA ALA A 135 3.154 10.293 5.043 1.00 0.00 C ATOM 1635 C ALA A 135 1.753 10.238 4.429 1.00 0.00 C ATOM 1636 O ALA A 135 1.525 10.713 3.331 1.00 0.00 O ATOM 1637 CB ALA A 135 3.765 8.891 5.109 1.00 0.00 C ATOM 0 H ALA A 135 3.282 10.054 7.166 1.00 0.00 H new ATOM 0 HA ALA A 135 3.755 10.961 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.859 8.487 4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.750 8.945 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.121 8.241 5.702 1.00 0.00 H new ATOM 1643 N MET A 136 0.813 9.662 5.145 1.00 0.00 N ATOM 1644 CA MET A 136 -0.590 9.568 4.631 1.00 0.00 C ATOM 1645 C MET A 136 -1.238 10.950 4.642 1.00 0.00 C ATOM 1646 O MET A 136 -1.849 11.367 3.673 1.00 0.00 O ATOM 1647 CB MET A 136 -1.323 8.626 5.591 1.00 0.00 C ATOM 1648 CG MET A 136 -2.756 8.406 5.099 1.00 0.00 C ATOM 1649 SD MET A 136 -3.737 7.636 6.411 1.00 0.00 S ATOM 1650 CE MET A 136 -2.988 5.993 6.316 1.00 0.00 C ATOM 0 H MET A 136 0.960 9.252 6.067 1.00 0.00 H new ATOM 0 HA MET A 136 -0.626 9.198 3.606 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.798 7.673 5.653 1.00 0.00 H new ATOM 0 HB3 MET A 136 -1.333 9.050 6.595 1.00 0.00 H new ATOM 0 HG2 MET A 136 -3.202 9.357 4.809 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.754 7.771 4.213 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.647 5.324 5.762 1.00 0.00 H new ATOM 0 HE2 MET A 136 -2.027 6.060 5.806 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.838 5.603 7.323 1.00 0.00 H new ATOM 1660 N CYS A 137 -1.110 11.657 5.739 1.00 0.00 N ATOM 1661 CA CYS A 137 -1.718 13.027 5.839 1.00 0.00 C ATOM 1662 C CYS A 137 -1.142 13.945 4.755 1.00 0.00 C ATOM 1663 O CYS A 137 -1.870 14.673 4.103 1.00 0.00 O ATOM 1664 CB CYS A 137 -1.346 13.544 7.231 1.00 0.00 C ATOM 1665 SG CYS A 137 -2.313 15.028 7.601 1.00 0.00 S ATOM 0 H CYS A 137 -0.610 11.346 6.572 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.798 13.001 5.696 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -1.538 12.775 7.980 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -0.281 13.771 7.274 1.00 0.00 H new ATOM 0 HG CYS A 137 -1.999 15.467 8.784 1.00 0.00 H new ATOM 1671 N GLU A 138 0.156 13.909 4.565 1.00 0.00 N ATOM 1672 CA GLU A 138 0.795 14.776 3.522 1.00 0.00 C ATOM 1673 C GLU A 138 0.393 14.306 2.130 1.00 0.00 C ATOM 1674 O GLU A 138 0.183 15.096 1.227 1.00 0.00 O ATOM 1675 CB GLU A 138 2.306 14.627 3.729 1.00 0.00 C ATOM 1676 CG GLU A 138 3.050 15.552 2.761 1.00 0.00 C ATOM 1677 CD GLU A 138 4.561 15.374 2.935 1.00 0.00 C ATOM 1678 OE1 GLU A 138 4.980 14.267 3.236 1.00 0.00 O ATOM 1679 OE2 GLU A 138 5.275 16.349 2.766 1.00 0.00 O ATOM 0 H GLU A 138 0.801 13.316 5.087 1.00 0.00 H new ATOM 0 HA GLU A 138 0.482 15.816 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 138 2.569 14.873 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.606 13.592 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 138 2.763 15.326 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 138 2.772 16.589 2.948 1.00 0.00 H new ATOM 1686 N CYS A 139 0.282 13.020 1.966 1.00 0.00 N ATOM 1687 CA CYS A 139 -0.112 12.445 0.640 1.00 0.00 C ATOM 1688 C CYS A 139 -1.586 12.744 0.356 1.00 0.00 C ATOM 1689 O CYS A 139 -1.956 13.058 -0.761 1.00 0.00 O ATOM 1690 CB CYS A 139 0.115 10.937 0.764 1.00 0.00 C ATOM 1691 SG CYS A 139 1.852 10.559 0.427 1.00 0.00 S ATOM 0 H CYS A 139 0.448 12.330 2.699 1.00 0.00 H new ATOM 0 HA CYS A 139 0.467 12.871 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.154 10.599 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.527 10.403 0.064 1.00 0.00 H new ATOM 0 HG CYS A 139 2.477 10.352 1.548 1.00 0.00 H new ATOM 1697 N GLN A 140 -2.421 12.650 1.365 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.879 12.930 1.173 1.00 0.00 C ATOM 1699 C GLN A 140 -4.096 14.415 0.892 1.00 0.00 C ATOM 1700 O GLN A 140 -4.949 14.787 0.103 1.00 0.00 O ATOM 1701 CB GLN A 140 -4.555 12.533 2.492 1.00 0.00 C ATOM 1702 CG GLN A 140 -5.155 11.133 2.362 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.966 10.808 3.604 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.855 11.543 3.983 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.688 9.721 4.258 1.00 0.00 N ATOM 0 H GLN A 140 -2.154 12.391 2.315 1.00 0.00 H new ATOM 0 HA GLN A 140 -4.290 12.377 0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.829 12.554 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -5.335 13.252 2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.789 11.079 1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -4.362 10.397 2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.940 9.108 3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.218 9.480 5.096 1.00 0.00 H new ATOM 1714 N ALA A 141 -3.330 15.264 1.536 1.00 0.00 N ATOM 1715 CA ALA A 141 -3.481 16.738 1.320 1.00 0.00 C ATOM 1716 C ALA A 141 -2.968 17.124 -0.069 1.00 0.00 C ATOM 1717 O ALA A 141 -3.577 17.924 -0.762 1.00 0.00 O ATOM 1718 CB ALA A 141 -2.635 17.403 2.408 1.00 0.00 C ATOM 0 H ALA A 141 -2.605 14.999 2.203 1.00 0.00 H new ATOM 0 HA ALA A 141 -4.523 17.052 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -2.700 18.486 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -3.005 17.106 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -1.596 17.091 2.302 1.00 0.00 H new ATOM 1724 N LEU A 142 -1.853 16.562 -0.480 1.00 0.00 N ATOM 1725 CA LEU A 142 -1.288 16.888 -1.829 1.00 0.00 C ATOM 1726 C LEU A 142 -2.156 16.280 -2.933 1.00 0.00 C ATOM 1727 O LEU A 142 -2.341 16.872 -3.982 1.00 0.00 O ATOM 1728 CB LEU A 142 0.115 16.277 -1.849 1.00 0.00 C ATOM 1729 CG LEU A 142 1.151 17.345 -1.433 1.00 0.00 C ATOM 1730 CD1 LEU A 142 1.629 17.077 -0.005 1.00 0.00 C ATOM 1731 CD2 LEU A 142 2.348 17.299 -2.383 1.00 0.00 C ATOM 0 H LEU A 142 -1.310 15.891 0.063 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.259 17.963 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.162 15.426 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.345 15.902 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 142 0.685 18.329 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.359 17.833 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 142 0.779 17.116 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.090 16.090 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.077 18.053 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.809 16.312 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.013 17.498 -3.401 1.00 0.00 H new