USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 972 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 82 THR OG1 : rot -180:sc= 1.35 USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0.215 USER MOD Set 2.1: A 58 TYR OH : rot -74:sc= -0.258 USER MOD Set 2.2: A 60 SER OG : rot -72:sc= -0.0658 USER MOD Set 2.3: A 62 SER OG : rot 180:sc= 0.136 USER MOD Set 3.1: A 51 CYS SG : rot 160:sc= 0.567 USER MOD Set 3.2: A 53 CYS SG : rot 41:sc= 1.05 USER MOD Set 3.3: A 113 HIS : no HD1:sc= -3.18 K(o=-1.6,f=-3.6) USER MOD Set 4.1: A 32 THR OG1 : rot 180:sc= 0.0741 USER MOD Set 4.2: A 135 TYR OH : rot 129:sc= -2.4! USER MOD Set 5.1: A 9 THR OG1 : rot 32:sc= 0.276 USER MOD Set 5.2: A 136 ASN : amide:sc= -3.37! C(o=-3.1!,f=-3.5!) USER MOD Single : A 8 HIS : no HE2:sc= -1.76 X(o=-1.8,f=-1.7) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0252 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0168 K(o=-0.017,f=-1.6!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=-0.016) USER MOD Single : A 20 THR OG1 : rot -78:sc= -0.582 USER MOD Single : A 21 THR OG1 : rot -54:sc= 0.861 USER MOD Single : A 23 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 26 THR OG1 : rot -160:sc= 0.00842 USER MOD Single : A 36 GLN : amide:sc= -1.75 K(o=-1.8,f=-4.2!) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 47 ASN : amide:sc= -0.0838 K(o=-0.084,f=-1.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 55 SER OG : rot 46:sc= 0.327 USER MOD Single : A 57 CYS SG : rot -30:sc= 0.0726 USER MOD Single : A 59 TYR OH : rot -29:sc= 0.334 USER MOD Single : A 66 TYR OH : rot 70:sc= -0.784 USER MOD Single : A 71 CYS SG : rot 2:sc= -0.772 USER MOD Single : A 74 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-2.4) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0158 K(o=-0.016,f=-0.68) USER MOD Single : A 85 TYR OH : rot -71:sc= -1.5 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.027) USER MOD Single : A 90 GLN : amide:sc= -3.09! C(o=-3.1!,f=-4.9!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.62) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -157:sc= -1.67 (180deg=-3.55!) USER MOD Single : A 111 CYS SG : rot 150:sc= -1.83 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= -0.0333 K(o=-0.033,f=-1.2) USER MOD Single : A 130 THR OG1 : rot -115:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N PHE A 6 13.628 -8.678 -2.036 1.00 12.11 N ATOM 65 CA PHE A 6 15.055 -8.976 -2.025 1.00 21.55 C ATOM 66 C PHE A 6 15.805 -8.014 -1.108 1.00 51.35 C ATOM 67 O PHE A 6 15.523 -6.815 -1.084 1.00 63.45 O ATOM 68 CB PHE A 6 15.625 -8.898 -3.442 1.00 45.02 C ATOM 69 CG PHE A 6 15.606 -7.512 -4.020 1.00 44.21 C ATOM 70 CD1 PHE A 6 14.478 -7.031 -4.665 1.00 61.42 C ATOM 71 CD2 PHE A 6 16.716 -6.689 -3.918 1.00 3.22 C ATOM 72 CE1 PHE A 6 14.458 -5.757 -5.199 1.00 3.45 C ATOM 73 CE2 PHE A 6 16.702 -5.413 -4.449 1.00 2.22 C ATOM 74 CZ PHE A 6 15.571 -4.946 -5.089 1.00 42.21 C ATOM 0 HA PHE A 6 15.186 -9.989 -1.644 1.00 21.55 H new ATOM 0 HB2 PHE A 6 16.651 -9.265 -3.433 1.00 45.02 H new ATOM 0 HB3 PHE A 6 15.055 -9.562 -4.092 1.00 45.02 H new ATOM 0 HD1 PHE A 6 13.604 -7.660 -4.751 1.00 61.42 H new ATOM 0 HD2 PHE A 6 17.603 -7.049 -3.418 1.00 3.22 H new ATOM 0 HE1 PHE A 6 13.573 -5.395 -5.702 1.00 3.45 H new ATOM 0 HE2 PHE A 6 17.574 -4.782 -4.363 1.00 2.22 H new ATOM 0 HZ PHE A 6 15.557 -3.949 -5.503 1.00 42.21 H new ATOM 84 N VAL A 7 16.761 -8.547 -0.355 1.00 2.02 N ATOM 85 CA VAL A 7 17.553 -7.736 0.563 1.00 74.40 C ATOM 86 C VAL A 7 19.010 -7.669 0.120 1.00 53.43 C ATOM 87 O VAL A 7 19.594 -8.674 -0.285 1.00 24.25 O ATOM 88 CB VAL A 7 17.490 -8.291 1.999 1.00 55.34 C ATOM 89 CG1 VAL A 7 18.142 -7.323 2.974 1.00 65.21 C ATOM 90 CG2 VAL A 7 16.049 -8.572 2.398 1.00 52.12 C ATOM 0 H VAL A 7 17.006 -9.537 -0.362 1.00 2.02 H new ATOM 0 HA VAL A 7 17.125 -6.733 0.549 1.00 74.40 H new ATOM 0 HB VAL A 7 18.042 -9.230 2.032 1.00 55.34 H new ATOM 0 HG11 VAL A 7 18.088 -7.732 3.983 1.00 65.21 H new ATOM 0 HG12 VAL A 7 19.186 -7.176 2.697 1.00 65.21 H new ATOM 0 HG13 VAL A 7 17.620 -6.367 2.941 1.00 65.21 H new ATOM 0 HG21 VAL A 7 16.023 -8.963 3.415 1.00 52.12 H new ATOM 0 HG22 VAL A 7 15.471 -7.649 2.349 1.00 52.12 H new ATOM 0 HG23 VAL A 7 15.619 -9.305 1.716 1.00 52.12 H new ATOM 100 N HIS A 8 19.592 -6.476 0.198 1.00 33.14 N ATOM 101 CA HIS A 8 20.982 -6.277 -0.194 1.00 4.32 C ATOM 102 C HIS A 8 21.770 -5.598 0.923 1.00 71.01 C ATOM 103 O HIS A 8 21.299 -4.639 1.535 1.00 4.50 O ATOM 104 CB HIS A 8 21.059 -5.438 -1.470 1.00 61.21 C ATOM 105 CG HIS A 8 20.642 -4.013 -1.276 1.00 55.04 C ATOM 106 ND1 HIS A 8 19.377 -3.552 -1.576 1.00 41.24 N ATOM 107 CD2 HIS A 8 21.329 -2.945 -0.808 1.00 53.13 C ATOM 108 CE1 HIS A 8 19.305 -2.261 -1.303 1.00 21.42 C ATOM 109 NE2 HIS A 8 20.476 -1.869 -0.835 1.00 2.32 N ATOM 0 H HIS A 8 19.122 -5.633 0.529 1.00 33.14 H new ATOM 0 HA HIS A 8 21.424 -7.255 -0.384 1.00 4.32 H new ATOM 0 HB2 HIS A 8 22.081 -5.461 -1.849 1.00 61.21 H new ATOM 0 HB3 HIS A 8 20.426 -5.892 -2.233 1.00 61.21 H new ATOM 0 HD1 HIS A 8 18.616 -4.119 -1.950 1.00 41.24 H new ATOM 0 HD2 HIS A 8 22.356 -2.940 -0.475 1.00 53.13 H new ATOM 0 HE1 HIS A 8 18.437 -1.634 -1.439 1.00 21.42 H new ATOM 117 N THR A 9 22.972 -6.103 1.184 1.00 14.05 N ATOM 118 CA THR A 9 23.823 -5.547 2.228 1.00 24.44 C ATOM 119 C THR A 9 25.266 -5.420 1.751 1.00 33.55 C ATOM 120 O THR A 9 25.918 -6.418 1.447 1.00 31.51 O ATOM 121 CB THR A 9 23.790 -6.414 3.501 1.00 31.03 C ATOM 122 OG1 THR A 9 24.141 -7.765 3.183 1.00 32.43 O ATOM 123 CG2 THR A 9 22.411 -6.380 4.143 1.00 70.32 C ATOM 0 H THR A 9 23.378 -6.896 0.687 1.00 14.05 H new ATOM 0 HA THR A 9 23.431 -4.557 2.461 1.00 24.44 H new ATOM 0 HB THR A 9 24.513 -6.009 4.209 1.00 31.03 H new ATOM 0 HG1 THR A 9 24.775 -7.771 2.435 1.00 32.43 H new ATOM 0 HG21 THR A 9 22.412 -6.999 5.040 1.00 70.32 H new ATOM 0 HG22 THR A 9 22.160 -5.354 4.411 1.00 70.32 H new ATOM 0 HG23 THR A 9 21.672 -6.763 3.439 1.00 70.32 H new ATOM 131 N GLU A 10 25.757 -4.187 1.690 1.00 45.13 N ATOM 132 CA GLU A 10 27.124 -3.931 1.249 1.00 32.13 C ATOM 133 C GLU A 10 27.318 -4.365 -0.201 1.00 3.13 C ATOM 134 O GLU A 10 27.227 -3.551 -1.120 1.00 32.44 O ATOM 135 CB GLU A 10 28.119 -4.665 2.150 1.00 5.45 C ATOM 136 CG GLU A 10 29.554 -4.596 1.655 1.00 42.50 C ATOM 137 CD GLU A 10 29.939 -3.210 1.174 1.00 3.13 C ATOM 138 OE1 GLU A 10 30.062 -2.300 2.021 1.00 72.30 O ATOM 139 OE2 GLU A 10 30.119 -3.036 -0.049 1.00 55.34 O ATOM 0 H GLU A 10 25.230 -3.350 1.940 1.00 45.13 H new ATOM 0 HA GLU A 10 27.306 -2.858 1.316 1.00 32.13 H new ATOM 0 HB2 GLU A 10 28.069 -4.241 3.153 1.00 5.45 H new ATOM 0 HB3 GLU A 10 27.821 -5.710 2.230 1.00 5.45 H new ATOM 0 HG2 GLU A 10 30.226 -4.898 2.458 1.00 42.50 H new ATOM 0 HG3 GLU A 10 29.689 -5.309 0.842 1.00 42.50 H new ATOM 146 N GLN A 11 27.588 -5.652 -0.396 1.00 55.32 N ATOM 147 CA GLN A 11 27.796 -6.193 -1.734 1.00 23.32 C ATOM 148 C GLN A 11 27.242 -7.610 -1.840 1.00 22.30 C ATOM 149 O GLN A 11 27.554 -8.340 -2.780 1.00 70.23 O ATOM 150 CB GLN A 11 29.286 -6.188 -2.082 1.00 53.04 C ATOM 151 CG GLN A 11 29.562 -6.275 -3.575 1.00 35.12 C ATOM 152 CD GLN A 11 30.897 -6.923 -3.885 1.00 13.33 C ATOM 153 OE1 GLN A 11 30.955 -8.072 -4.322 1.00 65.15 O ATOM 154 NE2 GLN A 11 31.979 -6.187 -3.659 1.00 14.32 N ATOM 0 H GLN A 11 27.668 -6.338 0.354 1.00 55.32 H new ATOM 0 HA GLN A 11 27.262 -5.560 -2.442 1.00 23.32 H new ATOM 0 HB2 GLN A 11 29.739 -5.278 -1.689 1.00 53.04 H new ATOM 0 HB3 GLN A 11 29.770 -7.027 -1.582 1.00 53.04 H new ATOM 0 HG2 GLN A 11 28.766 -6.844 -4.055 1.00 35.12 H new ATOM 0 HG3 GLN A 11 29.541 -5.273 -4.004 1.00 35.12 H new ATOM 0 HE21 GLN A 11 31.884 -5.239 -3.296 1.00 14.32 H new ATOM 0 HE22 GLN A 11 32.905 -6.570 -3.848 1.00 14.32 H new ATOM 163 N ALA A 12 26.419 -7.993 -0.869 1.00 41.31 N ATOM 164 CA ALA A 12 25.820 -9.322 -0.855 1.00 4.45 C ATOM 165 C ALA A 12 24.298 -9.238 -0.891 1.00 22.31 C ATOM 166 O ALA A 12 23.674 -8.708 0.029 1.00 62.40 O ATOM 167 CB ALA A 12 26.279 -10.094 0.373 1.00 4.25 C ATOM 0 H ALA A 12 26.152 -7.402 -0.082 1.00 41.31 H new ATOM 0 HA ALA A 12 26.150 -9.852 -1.748 1.00 4.45 H new ATOM 0 HB1 ALA A 12 25.824 -11.085 0.371 1.00 4.25 H new ATOM 0 HB2 ALA A 12 27.364 -10.193 0.356 1.00 4.25 H new ATOM 0 HB3 ALA A 12 25.978 -9.558 1.273 1.00 4.25 H new ATOM 173 N ILE A 13 23.707 -9.764 -1.958 1.00 51.25 N ATOM 174 CA ILE A 13 22.258 -9.749 -2.113 1.00 54.44 C ATOM 175 C ILE A 13 21.648 -11.086 -1.709 1.00 74.53 C ATOM 176 O ILE A 13 21.859 -12.102 -2.372 1.00 73.40 O ATOM 177 CB ILE A 13 21.850 -9.428 -3.564 1.00 32.44 C ATOM 178 CG1 ILE A 13 21.914 -7.920 -3.813 1.00 73.22 C ATOM 179 CG2 ILE A 13 20.453 -9.960 -3.851 1.00 4.43 C ATOM 180 CD1 ILE A 13 23.293 -7.332 -3.611 1.00 35.03 C ATOM 0 H ILE A 13 24.209 -10.206 -2.728 1.00 51.25 H new ATOM 0 HA ILE A 13 21.879 -8.966 -1.456 1.00 54.44 H new ATOM 0 HB ILE A 13 22.550 -9.918 -4.240 1.00 32.44 H new ATOM 0 HG12 ILE A 13 21.586 -7.714 -4.832 1.00 73.22 H new ATOM 0 HG13 ILE A 13 21.213 -7.420 -3.145 1.00 73.22 H new ATOM 0 HG21 ILE A 13 20.179 -9.726 -4.880 1.00 4.43 H new ATOM 0 HG22 ILE A 13 20.439 -11.041 -3.709 1.00 4.43 H new ATOM 0 HG23 ILE A 13 19.740 -9.495 -3.170 1.00 4.43 H new ATOM 0 HD11 ILE A 13 23.263 -6.260 -3.805 1.00 35.03 H new ATOM 0 HD12 ILE A 13 23.616 -7.507 -2.585 1.00 35.03 H new ATOM 0 HD13 ILE A 13 23.995 -7.805 -4.298 1.00 35.03 H new ATOM 192 N TYR A 14 20.889 -11.079 -0.619 1.00 72.00 N ATOM 193 CA TYR A 14 20.248 -12.292 -0.126 1.00 32.14 C ATOM 194 C TYR A 14 18.746 -12.261 -0.392 1.00 31.53 C ATOM 195 O TYR A 14 18.002 -11.528 0.260 1.00 21.33 O ATOM 196 CB TYR A 14 20.508 -12.459 1.372 1.00 3.44 C ATOM 197 CG TYR A 14 21.964 -12.313 1.754 1.00 42.13 C ATOM 198 CD1 TYR A 14 22.529 -11.058 1.948 1.00 24.50 C ATOM 199 CD2 TYR A 14 22.775 -13.429 1.919 1.00 73.23 C ATOM 200 CE1 TYR A 14 23.859 -10.920 2.296 1.00 63.32 C ATOM 201 CE2 TYR A 14 24.105 -13.301 2.268 1.00 41.43 C ATOM 202 CZ TYR A 14 24.643 -12.044 2.455 1.00 72.31 C ATOM 203 OH TYR A 14 25.968 -11.912 2.801 1.00 11.03 O ATOM 0 H TYR A 14 20.703 -10.247 -0.060 1.00 72.00 H new ATOM 0 HA TYR A 14 20.676 -13.141 -0.659 1.00 32.14 H new ATOM 0 HB2 TYR A 14 19.922 -11.720 1.919 1.00 3.44 H new ATOM 0 HB3 TYR A 14 20.155 -13.441 1.686 1.00 3.44 H new ATOM 0 HD1 TYR A 14 21.918 -10.176 1.825 1.00 24.50 H new ATOM 0 HD2 TYR A 14 22.358 -14.414 1.772 1.00 73.23 H new ATOM 0 HE1 TYR A 14 24.283 -9.937 2.443 1.00 63.32 H new ATOM 0 HE2 TYR A 14 24.720 -14.179 2.394 1.00 41.43 H new ATOM 0 HH TYR A 14 26.377 -12.800 2.874 1.00 11.03 H new ATOM 213 N LYS A 15 18.306 -13.064 -1.355 1.00 31.11 N ATOM 214 CA LYS A 15 16.893 -13.133 -1.709 1.00 0.25 C ATOM 215 C LYS A 15 16.471 -14.572 -1.988 1.00 45.22 C ATOM 216 O LYS A 15 17.271 -15.384 -2.452 1.00 2.45 O ATOM 217 CB LYS A 15 16.610 -12.260 -2.933 1.00 53.12 C ATOM 218 CG LYS A 15 17.483 -12.590 -4.131 1.00 23.41 C ATOM 219 CD LYS A 15 17.369 -11.531 -5.214 1.00 55.11 C ATOM 220 CE LYS A 15 17.841 -12.057 -6.561 1.00 34.32 C ATOM 221 NZ LYS A 15 17.242 -11.298 -7.694 1.00 20.43 N ATOM 0 H LYS A 15 18.908 -13.677 -1.905 1.00 31.11 H new ATOM 0 HA LYS A 15 16.314 -12.761 -0.864 1.00 0.25 H new ATOM 0 HB2 LYS A 15 15.563 -12.373 -3.215 1.00 53.12 H new ATOM 0 HB3 LYS A 15 16.757 -11.214 -2.664 1.00 53.12 H new ATOM 0 HG2 LYS A 15 18.522 -12.675 -3.812 1.00 23.41 H new ATOM 0 HG3 LYS A 15 17.194 -13.559 -4.537 1.00 23.41 H new ATOM 0 HD2 LYS A 15 16.333 -11.201 -5.294 1.00 55.11 H new ATOM 0 HD3 LYS A 15 17.961 -10.659 -4.935 1.00 55.11 H new ATOM 0 HE2 LYS A 15 18.928 -11.993 -6.615 1.00 34.32 H new ATOM 0 HE3 LYS A 15 17.579 -13.111 -6.651 1.00 34.32 H new ATOM 0 HZ1 LYS A 15 17.588 -11.687 -8.594 1.00 20.43 H new ATOM 0 HZ2 LYS A 15 16.206 -11.380 -7.657 1.00 20.43 H new ATOM 0 HZ3 LYS A 15 17.513 -10.296 -7.623 1.00 20.43 H new ATOM 235 N ASN A 16 15.210 -14.880 -1.705 1.00 0.23 N ATOM 236 CA ASN A 16 14.682 -16.221 -1.927 1.00 23.10 C ATOM 237 C ASN A 16 14.694 -16.571 -3.412 1.00 30.11 C ATOM 238 O ASN A 16 14.098 -15.871 -4.230 1.00 34.13 O ATOM 239 CB ASN A 16 13.259 -16.329 -1.377 1.00 74.12 C ATOM 240 CG ASN A 16 13.078 -17.533 -0.473 1.00 12.11 C ATOM 241 OD1 ASN A 16 12.459 -18.525 -0.858 1.00 33.03 O ATOM 242 ND2 ASN A 16 13.619 -17.450 0.737 1.00 31.40 N ATOM 0 H ASN A 16 14.534 -14.219 -1.321 1.00 0.23 H new ATOM 0 HA ASN A 16 15.322 -16.929 -1.400 1.00 23.10 H new ATOM 0 HB2 ASN A 16 13.017 -15.422 -0.823 1.00 74.12 H new ATOM 0 HB3 ASN A 16 12.555 -16.392 -2.207 1.00 74.12 H new ATOM 0 HD21 ASN A 16 13.530 -18.229 1.390 1.00 31.40 H new ATOM 0 HD22 ASN A 16 14.124 -16.608 1.013 1.00 31.40 H new ATOM 249 N ALA A 17 15.377 -17.659 -3.752 1.00 75.44 N ATOM 250 CA ALA A 17 15.464 -18.104 -5.138 1.00 32.13 C ATOM 251 C ALA A 17 14.098 -18.530 -5.665 1.00 14.52 C ATOM 252 O ALA A 17 13.874 -18.573 -6.875 1.00 71.20 O ATOM 253 CB ALA A 17 16.460 -19.248 -5.263 1.00 55.32 C ATOM 0 H ALA A 17 15.878 -18.248 -3.087 1.00 75.44 H new ATOM 0 HA ALA A 17 15.812 -17.266 -5.742 1.00 32.13 H new ATOM 0 HB1 ALA A 17 16.515 -19.570 -6.303 1.00 55.32 H new ATOM 0 HB2 ALA A 17 17.443 -18.912 -4.935 1.00 55.32 H new ATOM 0 HB3 ALA A 17 16.136 -20.082 -4.641 1.00 55.32 H new ATOM 259 N HIS A 18 13.187 -18.843 -4.749 1.00 75.31 N ATOM 260 CA HIS A 18 11.841 -19.266 -5.122 1.00 43.34 C ATOM 261 C HIS A 18 11.016 -18.080 -5.614 1.00 22.12 C ATOM 262 O HIS A 18 10.044 -18.250 -6.351 1.00 0.21 O ATOM 263 CB HIS A 18 11.144 -19.930 -3.934 1.00 43.45 C ATOM 264 CG HIS A 18 9.713 -20.283 -4.200 1.00 42.54 C ATOM 265 ND1 HIS A 18 9.332 -21.423 -4.875 1.00 42.04 N ATOM 266 CD2 HIS A 18 8.568 -19.639 -3.876 1.00 53.53 C ATOM 267 CE1 HIS A 18 8.014 -21.464 -4.957 1.00 23.34 C ATOM 268 NE2 HIS A 18 7.526 -20.393 -4.358 1.00 22.25 N ATOM 0 H HIS A 18 13.356 -18.812 -3.744 1.00 75.31 H new ATOM 0 HA HIS A 18 11.926 -19.989 -5.933 1.00 43.34 H new ATOM 0 HB2 HIS A 18 11.688 -20.835 -3.663 1.00 43.45 H new ATOM 0 HB3 HIS A 18 11.191 -19.260 -3.075 1.00 43.45 H new ATOM 0 HD2 HIS A 18 8.488 -18.706 -3.338 1.00 53.53 H new ATOM 0 HE1 HIS A 18 7.434 -22.241 -5.433 1.00 23.34 H new ATOM 0 HE2 HIS A 18 6.536 -20.163 -4.268 1.00 22.25 H new ATOM 276 N LEU A 19 11.409 -16.880 -5.201 1.00 24.44 N ATOM 277 CA LEU A 19 10.706 -15.666 -5.598 1.00 52.21 C ATOM 278 C LEU A 19 11.602 -14.771 -6.448 1.00 1.32 C ATOM 279 O LEU A 19 11.293 -13.601 -6.677 1.00 13.22 O ATOM 280 CB LEU A 19 10.228 -14.902 -4.362 1.00 33.11 C ATOM 281 CG LEU A 19 8.889 -15.349 -3.773 1.00 23.02 C ATOM 282 CD1 LEU A 19 9.098 -16.024 -2.426 1.00 14.20 C ATOM 283 CD2 LEU A 19 7.944 -14.164 -3.637 1.00 60.24 C ATOM 0 H LEU A 19 12.211 -16.722 -4.591 1.00 24.44 H new ATOM 0 HA LEU A 19 9.841 -15.956 -6.195 1.00 52.21 H new ATOM 0 HB2 LEU A 19 10.990 -14.990 -3.588 1.00 33.11 H new ATOM 0 HB3 LEU A 19 10.155 -13.845 -4.619 1.00 33.11 H new ATOM 0 HG LEU A 19 8.438 -16.072 -4.453 1.00 23.02 H new ATOM 0 HD11 LEU A 19 8.135 -16.335 -2.022 1.00 14.20 H new ATOM 0 HD12 LEU A 19 9.738 -16.897 -2.552 1.00 14.20 H new ATOM 0 HD13 LEU A 19 9.571 -15.324 -1.738 1.00 14.20 H new ATOM 0 HD21 LEU A 19 6.996 -14.501 -3.216 1.00 60.24 H new ATOM 0 HD22 LEU A 19 8.389 -13.418 -2.978 1.00 60.24 H new ATOM 0 HD23 LEU A 19 7.769 -13.724 -4.619 1.00 60.24 H new ATOM 295 N THR A 20 12.715 -15.329 -6.915 1.00 54.45 N ATOM 296 CA THR A 20 13.655 -14.582 -7.741 1.00 4.01 C ATOM 297 C THR A 20 14.229 -15.457 -8.850 1.00 13.03 C ATOM 298 O THR A 20 14.106 -15.138 -10.033 1.00 21.40 O ATOM 299 CB THR A 20 14.814 -14.015 -6.899 1.00 41.11 C ATOM 300 OG1 THR A 20 15.601 -15.085 -6.364 1.00 72.35 O ATOM 301 CG2 THR A 20 14.286 -13.151 -5.764 1.00 10.11 C ATOM 0 H THR A 20 12.987 -16.295 -6.735 1.00 54.45 H new ATOM 0 HA THR A 20 13.099 -13.756 -8.185 1.00 4.01 H new ATOM 0 HB THR A 20 15.435 -13.397 -7.547 1.00 41.11 H new ATOM 0 HG1 THR A 20 15.140 -15.477 -5.593 1.00 72.35 H new ATOM 0 HG21 THR A 20 15.122 -12.762 -5.183 1.00 10.11 H new ATOM 0 HG22 THR A 20 13.712 -12.320 -6.175 1.00 10.11 H new ATOM 0 HG23 THR A 20 13.644 -13.751 -5.119 1.00 10.11 H new ATOM 309 N THR A 21 14.855 -16.563 -8.460 1.00 44.04 N ATOM 310 CA THR A 21 15.448 -17.484 -9.422 1.00 22.24 C ATOM 311 C THR A 21 16.018 -16.736 -10.621 1.00 54.23 C ATOM 312 O THR A 21 15.657 -16.990 -11.771 1.00 30.44 O ATOM 313 CB THR A 21 14.419 -18.518 -9.917 1.00 24.10 C ATOM 314 OG1 THR A 21 15.001 -19.339 -10.936 1.00 43.30 O ATOM 315 CG2 THR A 21 13.178 -17.828 -10.462 1.00 0.11 C ATOM 0 H THR A 21 14.964 -16.843 -7.485 1.00 44.04 H new ATOM 0 HA THR A 21 16.255 -18.004 -8.906 1.00 22.24 H new ATOM 0 HB THR A 21 14.127 -19.141 -9.072 1.00 24.10 H new ATOM 0 HG1 THR A 21 15.361 -18.770 -11.649 1.00 43.30 H new ATOM 0 HG21 THR A 21 12.466 -18.578 -10.806 1.00 0.11 H new ATOM 0 HG22 THR A 21 12.721 -17.227 -9.676 1.00 0.11 H new ATOM 0 HG23 THR A 21 13.457 -17.184 -11.296 1.00 0.11 H new ATOM 323 N PRO A 22 16.930 -15.790 -10.351 1.00 74.03 N ATOM 324 CA PRO A 22 17.570 -14.986 -11.397 1.00 15.13 C ATOM 325 C PRO A 22 18.529 -15.805 -12.253 1.00 22.55 C ATOM 326 O PRO A 22 18.512 -17.035 -12.217 1.00 74.02 O ATOM 327 CB PRO A 22 18.334 -13.921 -10.607 1.00 11.32 C ATOM 328 CG PRO A 22 18.588 -14.544 -9.278 1.00 24.20 C ATOM 329 CD PRO A 22 17.407 -15.433 -9.005 1.00 32.23 C ATOM 0 HA PRO A 22 16.843 -14.577 -12.099 1.00 15.13 H new ATOM 0 HB2 PRO A 22 19.267 -13.653 -11.103 1.00 11.32 H new ATOM 0 HB3 PRO A 22 17.750 -13.006 -10.510 1.00 11.32 H new ATOM 0 HG2 PRO A 22 19.515 -15.118 -9.287 1.00 24.20 H new ATOM 0 HG3 PRO A 22 18.691 -13.784 -8.504 1.00 24.20 H new ATOM 0 HD2 PRO A 22 17.692 -16.316 -8.433 1.00 32.23 H new ATOM 0 HD3 PRO A 22 16.639 -14.915 -8.431 1.00 32.23 H new ATOM 337 N ASN A 23 19.366 -15.116 -13.021 1.00 3.34 N ATOM 338 CA ASN A 23 20.334 -15.781 -13.886 1.00 12.41 C ATOM 339 C ASN A 23 21.300 -16.633 -13.068 1.00 54.31 C ATOM 340 O ASN A 23 21.089 -16.858 -11.876 1.00 53.32 O ATOM 341 CB ASN A 23 21.113 -14.748 -14.703 1.00 2.24 C ATOM 342 CG ASN A 23 20.216 -13.670 -15.280 1.00 33.24 C ATOM 343 OD1 ASN A 23 20.323 -12.498 -14.918 1.00 61.24 O ATOM 344 ND2 ASN A 23 19.324 -14.064 -16.181 1.00 52.44 N ATOM 0 H ASN A 23 19.394 -14.097 -13.062 1.00 3.34 H new ATOM 0 HA ASN A 23 19.788 -16.435 -14.566 1.00 12.41 H new ATOM 0 HB2 ASN A 23 21.871 -14.286 -14.071 1.00 2.24 H new ATOM 0 HB3 ASN A 23 21.638 -15.252 -15.514 1.00 2.24 H new ATOM 0 HD21 ASN A 23 18.691 -13.384 -16.603 1.00 52.44 H new ATOM 0 HD22 ASN A 23 19.271 -15.046 -16.451 1.00 52.44 H new ATOM 351 N ASP A 24 22.359 -17.103 -13.717 1.00 22.24 N ATOM 352 CA ASP A 24 23.359 -17.929 -13.050 1.00 21.23 C ATOM 353 C ASP A 24 24.529 -17.080 -12.563 1.00 11.41 C ATOM 354 O ASP A 24 25.673 -17.533 -12.549 1.00 10.32 O ATOM 355 CB ASP A 24 23.864 -19.020 -13.996 1.00 12.03 C ATOM 356 CG ASP A 24 24.151 -20.323 -13.276 1.00 20.00 C ATOM 357 OD1 ASP A 24 24.712 -20.274 -12.161 1.00 54.44 O ATOM 358 OD2 ASP A 24 23.816 -21.392 -13.828 1.00 21.43 O ATOM 0 H ASP A 24 22.547 -16.926 -14.704 1.00 22.24 H new ATOM 0 HA ASP A 24 22.889 -18.397 -12.185 1.00 21.23 H new ATOM 0 HB2 ASP A 24 23.121 -19.194 -14.774 1.00 12.03 H new ATOM 0 HB3 ASP A 24 24.771 -18.675 -14.492 1.00 12.03 H new ATOM 363 N GLN A 25 24.233 -15.846 -12.166 1.00 70.11 N ATOM 364 CA GLN A 25 25.261 -14.933 -11.681 1.00 30.14 C ATOM 365 C GLN A 25 25.393 -15.019 -10.164 1.00 23.43 C ATOM 366 O GLN A 25 25.983 -14.144 -9.530 1.00 3.41 O ATOM 367 CB GLN A 25 24.935 -13.497 -12.095 1.00 73.31 C ATOM 368 CG GLN A 25 25.668 -13.044 -13.347 1.00 5.21 C ATOM 369 CD GLN A 25 27.056 -12.510 -13.049 1.00 14.40 C ATOM 370 OE1 GLN A 25 27.667 -12.866 -12.042 1.00 5.24 O ATOM 371 NE2 GLN A 25 27.560 -11.650 -13.926 1.00 40.41 N ATOM 0 H GLN A 25 23.290 -15.456 -12.171 1.00 70.11 H new ATOM 0 HA GLN A 25 26.211 -15.226 -12.128 1.00 30.14 H new ATOM 0 HB2 GLN A 25 23.861 -13.410 -12.261 1.00 73.31 H new ATOM 0 HB3 GLN A 25 25.186 -12.825 -11.274 1.00 73.31 H new ATOM 0 HG2 GLN A 25 25.746 -13.881 -14.041 1.00 5.21 H new ATOM 0 HG3 GLN A 25 25.084 -12.270 -13.845 1.00 5.21 H new ATOM 0 HE21 GLN A 25 27.018 -11.383 -14.748 1.00 40.41 H new ATOM 0 HE22 GLN A 25 28.489 -11.257 -13.778 1.00 40.41 H new ATOM 380 N THR A 26 24.840 -16.081 -9.586 1.00 31.04 N ATOM 381 CA THR A 26 24.895 -16.281 -8.143 1.00 74.20 C ATOM 382 C THR A 26 26.329 -16.487 -7.670 1.00 42.25 C ATOM 383 O THR A 26 27.243 -16.641 -8.481 1.00 4.41 O ATOM 384 CB THR A 26 24.045 -17.492 -7.711 1.00 44.42 C ATOM 385 OG1 THR A 26 24.290 -18.599 -8.586 1.00 2.33 O ATOM 386 CG2 THR A 26 22.564 -17.146 -7.725 1.00 0.20 C ATOM 0 H THR A 26 24.349 -16.816 -10.095 1.00 31.04 H new ATOM 0 HA THR A 26 24.490 -15.379 -7.684 1.00 74.20 H new ATOM 0 HB THR A 26 24.329 -17.763 -6.694 1.00 44.42 H new ATOM 0 HG1 THR A 26 23.549 -19.237 -8.521 1.00 2.33 H new ATOM 0 HG21 THR A 26 21.984 -18.016 -7.417 1.00 0.20 H new ATOM 0 HG22 THR A 26 22.376 -16.322 -7.036 1.00 0.20 H new ATOM 0 HG23 THR A 26 22.269 -16.852 -8.732 1.00 0.20 H new ATOM 394 N ILE A 27 26.519 -16.489 -6.355 1.00 64.14 N ATOM 395 CA ILE A 27 27.843 -16.678 -5.776 1.00 4.11 C ATOM 396 C ILE A 27 27.839 -17.807 -4.751 1.00 60.11 C ATOM 397 O ILE A 27 28.686 -18.701 -4.792 1.00 1.54 O ATOM 398 CB ILE A 27 28.352 -15.390 -5.102 1.00 12.13 C ATOM 399 CG1 ILE A 27 28.538 -14.283 -6.142 1.00 24.42 C ATOM 400 CG2 ILE A 27 29.656 -15.657 -4.365 1.00 33.03 C ATOM 401 CD1 ILE A 27 27.582 -13.124 -5.969 1.00 21.11 C ATOM 0 H ILE A 27 25.773 -16.362 -5.671 1.00 64.14 H new ATOM 0 HA ILE A 27 28.512 -16.938 -6.597 1.00 4.11 H new ATOM 0 HB ILE A 27 27.609 -15.059 -4.376 1.00 12.13 H new ATOM 0 HG12 ILE A 27 29.561 -13.911 -6.086 1.00 24.42 H new ATOM 0 HG13 ILE A 27 28.407 -14.706 -7.138 1.00 24.42 H new ATOM 0 HG21 ILE A 27 30.003 -14.737 -3.894 1.00 33.03 H new ATOM 0 HG22 ILE A 27 29.493 -16.417 -3.601 1.00 33.03 H new ATOM 0 HG23 ILE A 27 30.408 -16.009 -5.072 1.00 33.03 H new ATOM 0 HD11 ILE A 27 27.772 -12.378 -6.740 1.00 21.11 H new ATOM 0 HD12 ILE A 27 26.556 -13.482 -6.055 1.00 21.11 H new ATOM 0 HD13 ILE A 27 27.728 -12.675 -4.986 1.00 21.11 H new ATOM 413 N LEU A 28 26.879 -17.762 -3.834 1.00 21.31 N ATOM 414 CA LEU A 28 26.762 -18.783 -2.798 1.00 62.03 C ATOM 415 C LEU A 28 25.325 -19.283 -2.686 1.00 4.31 C ATOM 416 O LEU A 28 24.418 -18.525 -2.340 1.00 4.33 O ATOM 417 CB LEU A 28 27.228 -18.227 -1.451 1.00 55.24 C ATOM 418 CG LEU A 28 28.561 -18.762 -0.929 1.00 31.45 C ATOM 419 CD1 LEU A 28 29.611 -17.663 -0.920 1.00 45.12 C ATOM 420 CD2 LEU A 28 28.390 -19.350 0.465 1.00 41.02 C ATOM 0 H LEU A 28 26.170 -17.030 -3.786 1.00 21.31 H new ATOM 0 HA LEU A 28 27.398 -19.623 -3.077 1.00 62.03 H new ATOM 0 HB2 LEU A 28 27.302 -17.143 -1.534 1.00 55.24 H new ATOM 0 HB3 LEU A 28 26.459 -18.438 -0.708 1.00 55.24 H new ATOM 0 HG LEU A 28 28.900 -19.554 -1.597 1.00 31.45 H new ATOM 0 HD11 LEU A 28 30.553 -18.063 -0.545 1.00 45.12 H new ATOM 0 HD12 LEU A 28 29.754 -17.288 -1.933 1.00 45.12 H new ATOM 0 HD13 LEU A 28 29.280 -16.849 -0.275 1.00 45.12 H new ATOM 0 HD21 LEU A 28 29.349 -19.726 0.821 1.00 41.02 H new ATOM 0 HD22 LEU A 28 28.028 -18.578 1.144 1.00 41.02 H new ATOM 0 HD23 LEU A 28 27.670 -20.168 0.429 1.00 41.02 H new ATOM 432 N LEU A 29 25.125 -20.563 -2.979 1.00 3.05 N ATOM 433 CA LEU A 29 23.799 -21.166 -2.908 1.00 53.43 C ATOM 434 C LEU A 29 23.489 -21.638 -1.491 1.00 45.13 C ATOM 435 O LEU A 29 24.386 -22.045 -0.753 1.00 33.22 O ATOM 436 CB LEU A 29 23.698 -22.340 -3.883 1.00 22.20 C ATOM 437 CG LEU A 29 23.069 -22.033 -5.242 1.00 54.31 C ATOM 438 CD1 LEU A 29 21.555 -21.941 -5.121 1.00 24.40 C ATOM 439 CD2 LEU A 29 23.638 -20.743 -5.814 1.00 45.12 C ATOM 0 H LEU A 29 25.864 -21.203 -3.268 1.00 3.05 H new ATOM 0 HA LEU A 29 23.067 -20.407 -3.186 1.00 53.43 H new ATOM 0 HB2 LEU A 29 24.700 -22.734 -4.050 1.00 22.20 H new ATOM 0 HB3 LEU A 29 23.119 -23.132 -3.408 1.00 22.20 H new ATOM 0 HG LEU A 29 23.310 -22.848 -5.925 1.00 54.31 H new ATOM 0 HD11 LEU A 29 21.125 -21.722 -6.098 1.00 24.40 H new ATOM 0 HD12 LEU A 29 21.161 -22.889 -4.755 1.00 24.40 H new ATOM 0 HD13 LEU A 29 21.293 -21.146 -4.423 1.00 24.40 H new ATOM 0 HD21 LEU A 29 23.179 -20.540 -6.782 1.00 45.12 H new ATOM 0 HD22 LEU A 29 23.427 -19.919 -5.133 1.00 45.12 H new ATOM 0 HD23 LEU A 29 24.716 -20.844 -5.938 1.00 45.12 H new ATOM 451 N ALA A 30 22.215 -21.582 -1.119 1.00 72.24 N ATOM 452 CA ALA A 30 21.787 -22.008 0.207 1.00 33.32 C ATOM 453 C ALA A 30 20.513 -22.844 0.131 1.00 2.42 C ATOM 454 O ALA A 30 19.443 -22.403 0.554 1.00 25.34 O ATOM 455 CB ALA A 30 21.575 -20.800 1.107 1.00 54.32 C ATOM 0 H ALA A 30 21.461 -21.246 -1.718 1.00 72.24 H new ATOM 0 HA ALA A 30 22.574 -22.631 0.633 1.00 33.32 H new ATOM 0 HB1 ALA A 30 21.255 -21.133 2.094 1.00 54.32 H new ATOM 0 HB2 ALA A 30 22.509 -20.244 1.196 1.00 54.32 H new ATOM 0 HB3 ALA A 30 20.809 -20.155 0.676 1.00 54.32 H new ATOM 461 N LEU A 31 20.634 -24.050 -0.411 1.00 23.20 N ATOM 462 CA LEU A 31 19.492 -24.948 -0.543 1.00 51.22 C ATOM 463 C LEU A 31 18.804 -25.155 0.802 1.00 30.43 C ATOM 464 O LEU A 31 17.611 -25.455 0.863 1.00 60.32 O ATOM 465 CB LEU A 31 19.940 -26.295 -1.113 1.00 11.10 C ATOM 466 CG LEU A 31 20.117 -26.356 -2.631 1.00 35.34 C ATOM 467 CD1 LEU A 31 21.213 -25.403 -3.079 1.00 51.24 C ATOM 468 CD2 LEU A 31 20.429 -27.778 -3.074 1.00 21.10 C ATOM 0 H LEU A 31 21.512 -24.429 -0.766 1.00 23.20 H new ATOM 0 HA LEU A 31 18.779 -24.490 -1.228 1.00 51.22 H new ATOM 0 HB2 LEU A 31 20.886 -26.568 -0.646 1.00 11.10 H new ATOM 0 HB3 LEU A 31 19.211 -27.051 -0.822 1.00 11.10 H new ATOM 0 HG LEU A 31 19.183 -26.047 -3.100 1.00 35.34 H new ATOM 0 HD11 LEU A 31 21.325 -25.460 -4.162 1.00 51.24 H new ATOM 0 HD12 LEU A 31 20.948 -24.385 -2.795 1.00 51.24 H new ATOM 0 HD13 LEU A 31 22.153 -25.680 -2.602 1.00 51.24 H new ATOM 0 HD21 LEU A 31 20.552 -27.803 -4.157 1.00 21.10 H new ATOM 0 HD22 LEU A 31 21.349 -28.114 -2.597 1.00 21.10 H new ATOM 0 HD23 LEU A 31 19.610 -28.437 -2.786 1.00 21.10 H new ATOM 480 N THR A 32 19.563 -24.992 1.881 1.00 5.21 N ATOM 481 CA THR A 32 19.027 -25.160 3.226 1.00 65.01 C ATOM 482 C THR A 32 17.762 -24.332 3.421 1.00 23.30 C ATOM 483 O THR A 32 16.884 -24.699 4.201 1.00 54.23 O ATOM 484 CB THR A 32 20.060 -24.759 4.296 1.00 31.04 C ATOM 485 OG1 THR A 32 21.025 -23.862 3.735 1.00 72.41 O ATOM 486 CG2 THR A 32 20.765 -25.986 4.855 1.00 52.12 C ATOM 0 H THR A 32 20.552 -24.744 1.849 1.00 5.21 H new ATOM 0 HA THR A 32 18.787 -26.217 3.341 1.00 65.01 H new ATOM 0 HB THR A 32 19.532 -24.261 5.109 1.00 31.04 H new ATOM 0 HG1 THR A 32 21.677 -23.611 4.422 1.00 72.41 H new ATOM 0 HG21 THR A 32 21.490 -25.678 5.609 1.00 52.12 H new ATOM 0 HG22 THR A 32 20.031 -26.652 5.308 1.00 52.12 H new ATOM 0 HG23 THR A 32 21.280 -26.508 4.049 1.00 52.12 H new ATOM 494 N ALA A 33 17.676 -23.215 2.707 1.00 1.42 N ATOM 495 CA ALA A 33 16.517 -22.336 2.800 1.00 35.42 C ATOM 496 C ALA A 33 16.152 -21.762 1.436 1.00 43.54 C ATOM 497 O ALA A 33 15.475 -20.737 1.343 1.00 23.45 O ATOM 498 CB ALA A 33 16.782 -21.215 3.794 1.00 42.13 C ATOM 0 H ALA A 33 18.395 -22.897 2.057 1.00 1.42 H new ATOM 0 HA ALA A 33 15.672 -22.927 3.154 1.00 35.42 H new ATOM 0 HB1 ALA A 33 15.908 -20.567 3.853 1.00 42.13 H new ATOM 0 HB2 ALA A 33 16.985 -21.641 4.777 1.00 42.13 H new ATOM 0 HB3 ALA A 33 17.643 -20.634 3.466 1.00 42.13 H new ATOM 504 N ASP A 34 16.606 -22.426 0.379 1.00 61.23 N ATOM 505 CA ASP A 34 16.327 -21.981 -0.982 1.00 25.22 C ATOM 506 C ASP A 34 16.698 -20.512 -1.160 1.00 32.14 C ATOM 507 O ASP A 34 15.992 -19.760 -1.832 1.00 53.25 O ATOM 508 CB ASP A 34 14.850 -22.192 -1.318 1.00 3.03 C ATOM 509 CG ASP A 34 14.543 -23.625 -1.704 1.00 62.42 C ATOM 510 OD1 ASP A 34 15.291 -24.528 -1.275 1.00 65.35 O ATOM 511 OD2 ASP A 34 13.555 -23.844 -2.436 1.00 61.22 O ATOM 0 H ASP A 34 17.169 -23.275 0.438 1.00 61.23 H new ATOM 0 HA ASP A 34 16.935 -22.576 -1.664 1.00 25.22 H new ATOM 0 HB2 ASP A 34 14.241 -21.912 -0.458 1.00 3.03 H new ATOM 0 HB3 ASP A 34 14.569 -21.530 -2.137 1.00 3.03 H new ATOM 516 N LEU A 35 17.808 -20.110 -0.552 1.00 1.55 N ATOM 517 CA LEU A 35 18.272 -18.729 -0.642 1.00 24.45 C ATOM 518 C LEU A 35 19.586 -18.646 -1.412 1.00 62.00 C ATOM 519 O LEU A 35 20.483 -19.466 -1.218 1.00 71.31 O ATOM 520 CB LEU A 35 18.450 -18.138 0.758 1.00 23.20 C ATOM 521 CG LEU A 35 19.283 -16.859 0.845 1.00 10.32 C ATOM 522 CD1 LEU A 35 18.598 -15.724 0.100 1.00 54.01 C ATOM 523 CD2 LEU A 35 19.523 -16.476 2.299 1.00 72.55 C ATOM 0 H LEU A 35 18.404 -20.720 0.008 1.00 1.55 H new ATOM 0 HA LEU A 35 17.519 -18.153 -1.180 1.00 24.45 H new ATOM 0 HB2 LEU A 35 17.463 -17.934 1.173 1.00 23.20 H new ATOM 0 HB3 LEU A 35 18.913 -18.893 1.393 1.00 23.20 H new ATOM 0 HG LEU A 35 20.249 -17.045 0.375 1.00 10.32 H new ATOM 0 HD11 LEU A 35 19.206 -14.822 0.173 1.00 54.01 H new ATOM 0 HD12 LEU A 35 18.478 -15.997 -0.948 1.00 54.01 H new ATOM 0 HD13 LEU A 35 17.619 -15.538 0.541 1.00 54.01 H new ATOM 0 HD21 LEU A 35 20.118 -15.563 2.341 1.00 72.55 H new ATOM 0 HD22 LEU A 35 18.566 -16.309 2.794 1.00 72.55 H new ATOM 0 HD23 LEU A 35 20.057 -17.281 2.804 1.00 72.55 H new ATOM 535 N GLN A 36 19.692 -17.649 -2.284 1.00 45.21 N ATOM 536 CA GLN A 36 20.898 -17.458 -3.082 1.00 53.23 C ATOM 537 C GLN A 36 21.569 -16.130 -2.746 1.00 30.44 C ATOM 538 O GLN A 36 20.917 -15.195 -2.281 1.00 3.24 O ATOM 539 CB GLN A 36 20.561 -17.509 -4.574 1.00 14.45 C ATOM 540 CG GLN A 36 19.856 -18.788 -4.995 1.00 13.13 C ATOM 541 CD GLN A 36 19.620 -18.859 -6.491 1.00 30.15 C ATOM 542 OE1 GLN A 36 19.858 -19.890 -7.120 1.00 31.53 O ATOM 543 NE2 GLN A 36 19.149 -17.760 -7.069 1.00 25.31 N ATOM 0 H GLN A 36 18.958 -16.961 -2.456 1.00 45.21 H new ATOM 0 HA GLN A 36 21.591 -18.265 -2.845 1.00 53.23 H new ATOM 0 HB2 GLN A 36 19.930 -16.657 -4.825 1.00 14.45 H new ATOM 0 HB3 GLN A 36 21.481 -17.405 -5.150 1.00 14.45 H new ATOM 0 HG2 GLN A 36 20.452 -19.646 -4.684 1.00 13.13 H new ATOM 0 HG3 GLN A 36 18.900 -18.859 -4.476 1.00 13.13 H new ATOM 0 HE21 GLN A 36 18.966 -16.928 -6.509 1.00 25.31 H new ATOM 0 HE22 GLN A 36 18.970 -17.748 -8.073 1.00 25.31 H new ATOM 552 N ILE A 37 22.874 -16.056 -2.983 1.00 62.20 N ATOM 553 CA ILE A 37 23.633 -14.843 -2.705 1.00 71.04 C ATOM 554 C ILE A 37 24.233 -14.266 -3.983 1.00 1.42 C ATOM 555 O ILE A 37 24.973 -14.944 -4.695 1.00 73.44 O ATOM 556 CB ILE A 37 24.764 -15.105 -1.693 1.00 74.42 C ATOM 557 CG1 ILE A 37 24.199 -15.729 -0.415 1.00 41.11 C ATOM 558 CG2 ILE A 37 25.502 -13.813 -1.377 1.00 60.33 C ATOM 559 CD1 ILE A 37 25.252 -16.017 0.632 1.00 35.34 C ATOM 0 H ILE A 37 23.428 -16.822 -3.367 1.00 62.20 H new ATOM 0 HA ILE A 37 22.934 -14.124 -2.277 1.00 71.04 H new ATOM 0 HB ILE A 37 25.472 -15.806 -2.135 1.00 74.42 H new ATOM 0 HG12 ILE A 37 23.451 -15.058 0.008 1.00 41.11 H new ATOM 0 HG13 ILE A 37 23.687 -16.657 -0.669 1.00 41.11 H new ATOM 0 HG21 ILE A 37 26.298 -14.015 -0.660 1.00 60.33 H new ATOM 0 HG22 ILE A 37 25.932 -13.406 -2.292 1.00 60.33 H new ATOM 0 HG23 ILE A 37 24.805 -13.091 -0.951 1.00 60.33 H new ATOM 0 HD11 ILE A 37 24.781 -16.458 1.510 1.00 35.34 H new ATOM 0 HD12 ILE A 37 25.987 -16.712 0.227 1.00 35.34 H new ATOM 0 HD13 ILE A 37 25.748 -15.088 0.914 1.00 35.34 H new ATOM 571 N ASP A 38 23.911 -13.008 -4.265 1.00 61.12 N ATOM 572 CA ASP A 38 24.421 -12.337 -5.455 1.00 73.25 C ATOM 573 C ASP A 38 25.342 -11.182 -5.076 1.00 31.13 C ATOM 574 O ASP A 38 25.543 -10.897 -3.896 1.00 23.31 O ATOM 575 CB ASP A 38 23.263 -11.822 -6.312 1.00 32.12 C ATOM 576 CG ASP A 38 22.061 -12.745 -6.276 1.00 33.24 C ATOM 577 OD1 ASP A 38 21.335 -12.734 -5.259 1.00 64.53 O ATOM 578 OD2 ASP A 38 21.846 -13.479 -7.263 1.00 73.02 O ATOM 0 H ASP A 38 23.299 -12.433 -3.686 1.00 61.12 H new ATOM 0 HA ASP A 38 24.996 -13.062 -6.032 1.00 73.25 H new ATOM 0 HB2 ASP A 38 22.968 -10.833 -5.962 1.00 32.12 H new ATOM 0 HB3 ASP A 38 23.600 -11.709 -7.342 1.00 32.12 H new ATOM 583 N GLY A 39 25.900 -10.520 -6.085 1.00 21.31 N ATOM 584 CA GLY A 39 26.794 -9.405 -5.836 1.00 44.32 C ATOM 585 C GLY A 39 26.379 -8.152 -6.581 1.00 43.42 C ATOM 586 O GLY A 39 25.766 -8.229 -7.647 1.00 21.25 O ATOM 0 H GLY A 39 25.749 -10.736 -7.070 1.00 21.31 H new ATOM 0 HA2 GLY A 39 26.820 -9.196 -4.767 1.00 44.32 H new ATOM 0 HA3 GLY A 39 27.806 -9.682 -6.132 1.00 44.32 H new ATOM 590 N CYS A 40 26.712 -6.994 -6.020 1.00 70.43 N ATOM 591 CA CYS A 40 26.367 -5.719 -6.638 1.00 4.54 C ATOM 592 C CYS A 40 27.047 -4.562 -5.912 1.00 24.21 C ATOM 593 O CYS A 40 27.438 -4.689 -4.751 1.00 42.53 O ATOM 594 CB CYS A 40 24.851 -5.519 -6.632 1.00 41.23 C ATOM 595 SG CYS A 40 24.174 -4.962 -8.214 1.00 64.40 S ATOM 0 H CYS A 40 27.220 -6.912 -5.139 1.00 70.43 H new ATOM 0 HA CYS A 40 26.720 -5.736 -7.669 1.00 4.54 H new ATOM 0 HB2 CYS A 40 24.372 -6.458 -6.355 1.00 41.23 H new ATOM 0 HB3 CYS A 40 24.594 -4.791 -5.862 1.00 41.23 H new ATOM 0 HG CYS A 40 22.886 -4.824 -8.110 1.00 64.40 H new ATOM 601 N ASP A 41 27.187 -3.437 -6.604 1.00 13.34 N ATOM 602 CA ASP A 41 27.820 -2.257 -6.025 1.00 64.44 C ATOM 603 C ASP A 41 26.776 -1.308 -5.446 1.00 61.23 C ATOM 604 O ASP A 41 27.016 -0.107 -5.324 1.00 31.41 O ATOM 605 CB ASP A 41 28.657 -1.532 -7.081 1.00 31.50 C ATOM 606 CG ASP A 41 29.574 -2.472 -7.839 1.00 30.44 C ATOM 607 OD1 ASP A 41 30.677 -2.762 -7.331 1.00 3.43 O ATOM 608 OD2 ASP A 41 29.189 -2.918 -8.940 1.00 33.10 O ATOM 0 H ASP A 41 26.871 -3.317 -7.566 1.00 13.34 H new ATOM 0 HA ASP A 41 28.473 -2.585 -5.216 1.00 64.44 H new ATOM 0 HB2 ASP A 41 27.993 -1.031 -7.785 1.00 31.50 H new ATOM 0 HB3 ASP A 41 29.254 -0.758 -6.599 1.00 31.50 H new ATOM 613 N GLN A 42 25.618 -1.855 -5.093 1.00 75.51 N ATOM 614 CA GLN A 42 24.536 -1.056 -4.529 1.00 23.43 C ATOM 615 C GLN A 42 24.296 -1.420 -3.067 1.00 63.11 C ATOM 616 O GLN A 42 23.337 -2.111 -2.724 1.00 21.35 O ATOM 617 CB GLN A 42 23.251 -1.257 -5.334 1.00 65.01 C ATOM 618 CG GLN A 42 23.483 -1.360 -6.833 1.00 71.10 C ATOM 619 CD GLN A 42 22.203 -1.613 -7.605 1.00 50.52 C ATOM 620 OE1 GLN A 42 21.136 -1.797 -7.018 1.00 64.42 O ATOM 621 NE2 GLN A 42 22.302 -1.621 -8.929 1.00 60.43 N ATOM 0 H GLN A 42 25.404 -2.848 -5.187 1.00 75.51 H new ATOM 0 HA GLN A 42 24.828 -0.007 -4.581 1.00 23.43 H new ATOM 0 HB2 GLN A 42 22.753 -2.163 -4.988 1.00 65.01 H new ATOM 0 HB3 GLN A 42 22.574 -0.426 -5.136 1.00 65.01 H new ATOM 0 HG2 GLN A 42 23.942 -0.438 -7.190 1.00 71.10 H new ATOM 0 HG3 GLN A 42 24.189 -2.166 -7.033 1.00 71.10 H new ATOM 0 HE21 GLN A 42 23.206 -1.464 -9.374 1.00 60.43 H new ATOM 0 HE22 GLN A 42 21.474 -1.784 -9.501 1.00 60.43 H new ATOM 630 N PRO A 43 25.188 -0.945 -2.185 1.00 34.15 N ATOM 631 CA PRO A 43 25.094 -1.208 -0.745 1.00 53.44 C ATOM 632 C PRO A 43 23.919 -0.481 -0.099 1.00 3.20 C ATOM 633 O PRO A 43 23.567 0.628 -0.498 1.00 43.34 O ATOM 634 CB PRO A 43 26.420 -0.672 -0.200 1.00 12.12 C ATOM 635 CG PRO A 43 26.844 0.363 -1.184 1.00 11.01 C ATOM 636 CD PRO A 43 26.355 -0.115 -2.524 1.00 4.45 C ATOM 0 HA PRO A 43 24.926 -2.264 -0.533 1.00 53.44 H new ATOM 0 HB2 PRO A 43 26.295 -0.245 0.795 1.00 12.12 H new ATOM 0 HB3 PRO A 43 27.163 -1.465 -0.115 1.00 12.12 H new ATOM 0 HG2 PRO A 43 26.417 1.335 -0.937 1.00 11.01 H new ATOM 0 HG3 PRO A 43 27.928 0.481 -1.183 1.00 11.01 H new ATOM 0 HD2 PRO A 43 26.081 0.718 -3.172 1.00 4.45 H new ATOM 0 HD3 PRO A 43 27.118 -0.690 -3.049 1.00 4.45 H new ATOM 644 N GLY A 44 23.316 -1.114 0.903 1.00 4.41 N ATOM 645 CA GLY A 44 22.188 -0.511 1.589 1.00 60.52 C ATOM 646 C GLY A 44 22.390 -0.445 3.090 1.00 71.14 C ATOM 647 O GLY A 44 23.273 -1.097 3.648 1.00 13.42 O ATOM 0 H GLY A 44 23.588 -2.033 1.252 1.00 4.41 H new ATOM 0 HA2 GLY A 44 22.027 0.495 1.203 1.00 60.52 H new ATOM 0 HA3 GLY A 44 21.286 -1.083 1.372 1.00 60.52 H new ATOM 651 N PRO A 45 21.558 0.360 3.767 1.00 21.35 N ATOM 652 CA PRO A 45 21.631 0.529 5.222 1.00 75.02 C ATOM 653 C PRO A 45 21.190 -0.722 5.974 1.00 72.33 C ATOM 654 O PRO A 45 21.468 -0.873 7.163 1.00 21.34 O ATOM 655 CB PRO A 45 20.664 1.684 5.493 1.00 15.20 C ATOM 656 CG PRO A 45 19.700 1.646 4.357 1.00 1.34 C ATOM 657 CD PRO A 45 20.483 1.166 3.166 1.00 15.14 C ATOM 0 HA PRO A 45 22.650 0.719 5.560 1.00 75.02 H new ATOM 0 HB2 PRO A 45 20.155 1.558 6.449 1.00 15.20 H new ATOM 0 HB3 PRO A 45 21.189 2.638 5.535 1.00 15.20 H new ATOM 0 HG2 PRO A 45 18.868 0.976 4.573 1.00 1.34 H new ATOM 0 HG3 PRO A 45 19.275 2.633 4.173 1.00 1.34 H new ATOM 0 HD2 PRO A 45 19.865 0.573 2.491 1.00 15.14 H new ATOM 0 HD3 PRO A 45 20.881 1.998 2.585 1.00 15.14 H new ATOM 665 N ASP A 46 20.502 -1.617 5.272 1.00 11.55 N ATOM 666 CA ASP A 46 20.024 -2.856 5.874 1.00 70.22 C ATOM 667 C ASP A 46 21.160 -3.593 6.576 1.00 2.34 C ATOM 668 O ASP A 46 22.060 -4.127 5.930 1.00 72.23 O ATOM 669 CB ASP A 46 19.398 -3.757 4.808 1.00 51.21 C ATOM 670 CG ASP A 46 18.479 -2.995 3.873 1.00 43.00 C ATOM 671 OD1 ASP A 46 17.463 -2.450 4.353 1.00 73.41 O ATOM 672 OD2 ASP A 46 18.777 -2.943 2.662 1.00 42.44 O ATOM 0 H ASP A 46 20.263 -1.507 4.286 1.00 11.55 H new ATOM 0 HA ASP A 46 19.267 -2.602 6.616 1.00 70.22 H new ATOM 0 HB2 ASP A 46 20.189 -4.232 4.228 1.00 51.21 H new ATOM 0 HB3 ASP A 46 18.836 -4.555 5.295 1.00 51.21 H new ATOM 677 N ASN A 47 21.112 -3.615 7.904 1.00 22.14 N ATOM 678 CA ASN A 47 22.139 -4.285 8.695 1.00 14.42 C ATOM 679 C ASN A 47 21.537 -5.419 9.519 1.00 11.12 C ATOM 680 O ASN A 47 21.112 -5.215 10.657 1.00 24.30 O ATOM 681 CB ASN A 47 22.835 -3.283 9.618 1.00 2.41 C ATOM 682 CG ASN A 47 24.194 -3.771 10.081 1.00 21.13 C ATOM 683 OD1 ASN A 47 24.364 -4.945 10.413 1.00 44.45 O ATOM 684 ND2 ASN A 47 25.169 -2.870 10.107 1.00 64.23 N ATOM 0 H ASN A 47 20.374 -3.177 8.455 1.00 22.14 H new ATOM 0 HA ASN A 47 22.873 -4.708 8.009 1.00 14.42 H new ATOM 0 HB2 ASN A 47 22.951 -2.333 9.097 1.00 2.41 H new ATOM 0 HB3 ASN A 47 22.204 -3.095 10.487 1.00 2.41 H new ATOM 0 HD21 ASN A 47 26.105 -3.140 10.411 1.00 64.23 H new ATOM 0 HD22 ASN A 47 24.982 -1.908 9.823 1.00 64.23 H new ATOM 691 N ILE A 48 21.504 -6.613 8.937 1.00 4.21 N ATOM 692 CA ILE A 48 20.957 -7.779 9.618 1.00 33.40 C ATOM 693 C ILE A 48 21.557 -7.935 11.011 1.00 30.11 C ATOM 694 O ILE A 48 22.773 -8.019 11.184 1.00 20.43 O ATOM 695 CB ILE A 48 21.209 -9.070 8.816 1.00 53.44 C ATOM 696 CG1 ILE A 48 20.543 -8.979 7.441 1.00 71.41 C ATOM 697 CG2 ILE A 48 20.693 -10.279 9.581 1.00 4.14 C ATOM 698 CD1 ILE A 48 21.393 -9.535 6.320 1.00 4.20 C ATOM 0 H ILE A 48 21.850 -6.798 7.995 1.00 4.21 H new ATOM 0 HA ILE A 48 19.882 -7.618 9.704 1.00 33.40 H new ATOM 0 HB ILE A 48 22.283 -9.187 8.673 1.00 53.44 H new ATOM 0 HG12 ILE A 48 19.596 -9.517 7.469 1.00 71.41 H new ATOM 0 HG13 ILE A 48 20.311 -7.936 7.227 1.00 71.41 H new ATOM 0 HG21 ILE A 48 20.879 -11.183 9.001 1.00 4.14 H new ATOM 0 HG22 ILE A 48 21.208 -10.350 10.539 1.00 4.14 H new ATOM 0 HG23 ILE A 48 19.622 -10.171 9.752 1.00 4.14 H new ATOM 0 HD11 ILE A 48 20.858 -9.438 5.375 1.00 4.20 H new ATOM 0 HD12 ILE A 48 22.330 -8.981 6.265 1.00 4.20 H new ATOM 0 HD13 ILE A 48 21.604 -10.587 6.511 1.00 4.20 H new ATOM 710 N PRO A 49 20.685 -7.976 12.030 1.00 64.12 N ATOM 711 CA PRO A 49 21.106 -8.125 13.426 1.00 2.51 C ATOM 712 C PRO A 49 21.664 -9.513 13.719 1.00 30.10 C ATOM 713 O PRO A 49 21.973 -10.274 12.802 1.00 30.41 O ATOM 714 CB PRO A 49 19.814 -7.890 14.213 1.00 61.52 C ATOM 715 CG PRO A 49 18.723 -8.253 13.266 1.00 71.54 C ATOM 716 CD PRO A 49 19.222 -7.881 11.897 1.00 71.32 C ATOM 0 HA PRO A 49 21.910 -7.436 13.685 1.00 2.51 H new ATOM 0 HB2 PRO A 49 19.780 -8.506 15.111 1.00 61.52 H new ATOM 0 HB3 PRO A 49 19.730 -6.852 14.535 1.00 61.52 H new ATOM 0 HG2 PRO A 49 18.495 -9.317 13.322 1.00 71.54 H new ATOM 0 HG3 PRO A 49 17.804 -7.717 13.505 1.00 71.54 H new ATOM 0 HD2 PRO A 49 18.843 -8.560 11.133 1.00 71.32 H new ATOM 0 HD3 PRO A 49 18.909 -6.876 11.614 1.00 71.32 H new ATOM 724 N ASP A 50 21.790 -9.837 15.001 1.00 12.43 N ATOM 725 CA ASP A 50 22.309 -11.135 15.415 1.00 62.01 C ATOM 726 C ASP A 50 21.683 -11.576 16.734 1.00 12.32 C ATOM 727 O ASP A 50 22.239 -11.340 17.807 1.00 22.32 O ATOM 728 CB ASP A 50 23.831 -11.079 15.552 1.00 24.03 C ATOM 729 CG ASP A 50 24.521 -10.779 14.236 1.00 51.40 C ATOM 730 OD1 ASP A 50 24.234 -11.479 13.242 1.00 4.03 O ATOM 731 OD2 ASP A 50 25.346 -9.843 14.199 1.00 4.43 O ATOM 0 H ASP A 50 21.540 -9.218 15.772 1.00 12.43 H new ATOM 0 HA ASP A 50 22.047 -11.864 14.648 1.00 62.01 H new ATOM 0 HB2 ASP A 50 24.099 -10.315 16.282 1.00 24.03 H new ATOM 0 HB3 ASP A 50 24.193 -12.031 15.940 1.00 24.03 H new ATOM 736 N CYS A 51 20.521 -12.215 16.647 1.00 23.33 N ATOM 737 CA CYS A 51 19.817 -12.688 17.833 1.00 4.23 C ATOM 738 C CYS A 51 18.553 -13.450 17.448 1.00 72.03 C ATOM 739 O CYS A 51 18.263 -14.512 17.999 1.00 64.10 O ATOM 740 CB CYS A 51 19.459 -11.510 18.742 1.00 22.54 C ATOM 741 SG CYS A 51 17.791 -11.612 19.468 1.00 43.22 S ATOM 0 H CYS A 51 20.047 -12.417 15.767 1.00 23.33 H new ATOM 0 HA CYS A 51 20.479 -13.367 18.371 1.00 4.23 H new ATOM 0 HB2 CYS A 51 20.191 -11.451 19.547 1.00 22.54 H new ATOM 0 HB3 CYS A 51 19.539 -10.586 18.170 1.00 22.54 H new ATOM 0 HG CYS A 51 17.726 -10.845 20.516 1.00 43.22 H new ATOM 746 N ASP A 52 17.804 -12.900 16.498 1.00 61.40 N ATOM 747 CA ASP A 52 16.571 -13.528 16.037 1.00 23.30 C ATOM 748 C ASP A 52 15.675 -13.895 17.215 1.00 14.05 C ATOM 749 O ASP A 52 15.735 -15.011 17.732 1.00 64.21 O ATOM 750 CB ASP A 52 16.887 -14.777 15.213 1.00 62.34 C ATOM 751 CG ASP A 52 15.681 -15.679 15.043 1.00 73.50 C ATOM 752 OD1 ASP A 52 14.803 -15.349 14.218 1.00 44.42 O ATOM 753 OD2 ASP A 52 15.614 -16.717 15.735 1.00 43.14 O ATOM 0 H ASP A 52 18.029 -12.021 16.032 1.00 61.40 H new ATOM 0 HA ASP A 52 16.041 -12.812 15.409 1.00 23.30 H new ATOM 0 HB2 ASP A 52 17.254 -14.478 14.231 1.00 62.34 H new ATOM 0 HB3 ASP A 52 17.689 -15.335 15.697 1.00 62.34 H new ATOM 758 N CYS A 53 14.843 -12.948 17.637 1.00 5.21 N ATOM 759 CA CYS A 53 13.935 -13.169 18.755 1.00 31.45 C ATOM 760 C CYS A 53 12.777 -14.075 18.345 1.00 44.12 C ATOM 761 O CYS A 53 12.730 -14.570 17.218 1.00 24.12 O ATOM 762 CB CYS A 53 13.394 -11.835 19.273 1.00 42.25 C ATOM 763 SG CYS A 53 14.439 -11.051 20.543 1.00 73.41 S ATOM 0 H CYS A 53 14.780 -12.019 17.220 1.00 5.21 H new ATOM 0 HA CYS A 53 14.494 -13.660 19.552 1.00 31.45 H new ATOM 0 HB2 CYS A 53 13.285 -11.149 18.433 1.00 42.25 H new ATOM 0 HB3 CYS A 53 12.398 -11.995 19.685 1.00 42.25 H new ATOM 0 HG CYS A 53 15.691 -11.191 20.222 1.00 73.41 H new ATOM 768 N THR A 54 11.844 -14.288 19.267 1.00 55.50 N ATOM 769 CA THR A 54 10.687 -15.133 19.002 1.00 33.53 C ATOM 770 C THR A 54 9.459 -14.296 18.664 1.00 11.30 C ATOM 771 O THR A 54 8.882 -14.430 17.585 1.00 32.41 O ATOM 772 CB THR A 54 10.362 -16.035 20.208 1.00 24.23 C ATOM 773 OG1 THR A 54 10.218 -15.240 21.390 1.00 11.41 O ATOM 774 CG2 THR A 54 11.456 -17.071 20.419 1.00 63.20 C ATOM 0 H THR A 54 11.867 -13.887 20.204 1.00 55.50 H new ATOM 0 HA THR A 54 10.943 -15.759 18.147 1.00 33.53 H new ATOM 0 HB THR A 54 9.426 -16.554 20.003 1.00 24.23 H new ATOM 0 HG1 THR A 54 10.010 -15.821 22.151 1.00 11.41 H new ATOM 0 HG21 THR A 54 11.205 -17.696 21.276 1.00 63.20 H new ATOM 0 HG22 THR A 54 11.544 -17.694 19.529 1.00 63.20 H new ATOM 0 HG23 THR A 54 12.404 -16.566 20.604 1.00 63.20 H new ATOM 782 N SER A 55 9.065 -13.430 19.592 1.00 34.15 N ATOM 783 CA SER A 55 7.903 -12.572 19.393 1.00 34.04 C ATOM 784 C SER A 55 8.270 -11.342 18.569 1.00 64.10 C ATOM 785 O SER A 55 8.816 -10.371 19.091 1.00 22.24 O ATOM 786 CB SER A 55 7.323 -12.141 20.742 1.00 21.32 C ATOM 787 OG SER A 55 8.333 -11.620 21.588 1.00 3.30 O ATOM 0 H SER A 55 9.533 -13.304 20.489 1.00 34.15 H new ATOM 0 HA SER A 55 7.151 -13.142 18.848 1.00 34.04 H new ATOM 0 HB2 SER A 55 6.551 -11.388 20.585 1.00 21.32 H new ATOM 0 HB3 SER A 55 6.844 -12.993 21.224 1.00 21.32 H new ATOM 0 HG SER A 55 8.894 -10.996 21.082 1.00 3.30 H new ATOM 793 N GLY A 56 7.967 -11.392 17.275 1.00 14.24 N ATOM 794 CA GLY A 56 8.272 -10.277 16.398 1.00 1.33 C ATOM 795 C GLY A 56 7.060 -9.801 15.622 1.00 64.25 C ATOM 796 O GLY A 56 5.939 -9.830 16.129 1.00 13.13 O ATOM 0 H GLY A 56 7.516 -12.185 16.819 1.00 14.24 H new ATOM 0 HA2 GLY A 56 8.668 -9.451 16.989 1.00 1.33 H new ATOM 0 HA3 GLY A 56 9.054 -10.572 15.699 1.00 1.33 H new ATOM 800 N CYS A 57 7.286 -9.361 14.389 1.00 74.35 N ATOM 801 CA CYS A 57 6.203 -8.875 13.541 1.00 51.33 C ATOM 802 C CYS A 57 6.558 -9.025 12.065 1.00 22.51 C ATOM 803 O CYS A 57 7.634 -8.614 11.630 1.00 61.30 O ATOM 804 CB CYS A 57 5.898 -7.410 13.857 1.00 3.14 C ATOM 805 SG CYS A 57 7.315 -6.303 13.663 1.00 14.33 S ATOM 0 H CYS A 57 8.208 -9.331 13.955 1.00 74.35 H new ATOM 0 HA CYS A 57 5.317 -9.476 13.746 1.00 51.33 H new ATOM 0 HB2 CYS A 57 5.092 -7.069 13.207 1.00 3.14 H new ATOM 0 HB3 CYS A 57 5.532 -7.339 14.881 1.00 3.14 H new ATOM 0 HG CYS A 57 8.412 -6.955 13.911 1.00 14.33 H new ATOM 811 N TYR A 58 5.648 -9.619 11.301 1.00 42.22 N ATOM 812 CA TYR A 58 5.867 -9.828 9.874 1.00 0.14 C ATOM 813 C TYR A 58 4.801 -9.113 9.049 1.00 23.12 C ATOM 814 O TYR A 58 3.671 -8.928 9.500 1.00 32.45 O ATOM 815 CB TYR A 58 5.862 -11.323 9.550 1.00 14.31 C ATOM 816 CG TYR A 58 4.487 -11.869 9.237 1.00 61.40 C ATOM 817 CD1 TYR A 58 3.997 -11.869 7.937 1.00 50.30 C ATOM 818 CD2 TYR A 58 3.679 -12.388 10.241 1.00 11.45 C ATOM 819 CE1 TYR A 58 2.741 -12.366 7.647 1.00 65.53 C ATOM 820 CE2 TYR A 58 2.423 -12.889 9.960 1.00 14.12 C ATOM 821 CZ TYR A 58 1.958 -12.876 8.661 1.00 2.45 C ATOM 822 OH TYR A 58 0.708 -13.374 8.376 1.00 14.32 O ATOM 0 H TYR A 58 4.752 -9.964 11.645 1.00 42.22 H new ATOM 0 HA TYR A 58 6.840 -9.411 9.616 1.00 0.14 H new ATOM 0 HB2 TYR A 58 6.518 -11.504 8.699 1.00 14.31 H new ATOM 0 HB3 TYR A 58 6.278 -11.871 10.395 1.00 14.31 H new ATOM 0 HD1 TYR A 58 4.608 -11.474 7.139 1.00 50.30 H new ATOM 0 HD2 TYR A 58 4.039 -12.400 11.259 1.00 11.45 H new ATOM 0 HE1 TYR A 58 2.374 -12.355 6.631 1.00 65.53 H new ATOM 0 HE2 TYR A 58 1.808 -13.289 10.753 1.00 14.12 H new ATOM 0 HH TYR A 58 0.095 -12.632 8.190 1.00 14.32 H new ATOM 832 N TYR A 59 5.170 -8.714 7.837 1.00 4.13 N ATOM 833 CA TYR A 59 4.248 -8.018 6.948 1.00 1.41 C ATOM 834 C TYR A 59 3.144 -8.954 6.467 1.00 70.01 C ATOM 835 O TYR A 59 3.356 -9.775 5.575 1.00 61.50 O ATOM 836 CB TYR A 59 5.001 -7.440 5.749 1.00 62.14 C ATOM 837 CG TYR A 59 4.094 -6.870 4.682 1.00 43.33 C ATOM 838 CD1 TYR A 59 3.496 -5.626 4.843 1.00 61.15 C ATOM 839 CD2 TYR A 59 3.837 -7.574 3.512 1.00 35.21 C ATOM 840 CE1 TYR A 59 2.666 -5.102 3.871 1.00 43.43 C ATOM 841 CE2 TYR A 59 3.009 -7.057 2.534 1.00 2.21 C ATOM 842 CZ TYR A 59 2.426 -5.821 2.718 1.00 1.53 C ATOM 843 OH TYR A 59 1.601 -5.301 1.747 1.00 2.22 O ATOM 0 H TYR A 59 6.101 -8.861 7.448 1.00 4.13 H new ATOM 0 HA TYR A 59 3.790 -7.203 7.508 1.00 1.41 H new ATOM 0 HB2 TYR A 59 5.675 -6.657 6.097 1.00 62.14 H new ATOM 0 HB3 TYR A 59 5.620 -8.221 5.308 1.00 62.14 H new ATOM 0 HD1 TYR A 59 3.683 -5.059 5.743 1.00 61.15 H new ATOM 0 HD2 TYR A 59 4.292 -8.542 3.364 1.00 35.21 H new ATOM 0 HE1 TYR A 59 2.207 -4.135 4.013 1.00 43.43 H new ATOM 0 HE2 TYR A 59 2.820 -7.618 1.631 1.00 2.21 H new ATOM 0 HH TYR A 59 0.939 -4.710 2.162 1.00 2.22 H new ATOM 853 N SER A 60 1.964 -8.823 7.064 1.00 12.12 N ATOM 854 CA SER A 60 0.826 -9.659 6.700 1.00 53.40 C ATOM 855 C SER A 60 0.126 -9.113 5.459 1.00 64.14 C ATOM 856 O SER A 60 -0.404 -8.002 5.469 1.00 4.12 O ATOM 857 CB SER A 60 -0.165 -9.742 7.862 1.00 35.04 C ATOM 858 OG SER A 60 -0.919 -10.941 7.805 1.00 54.52 O ATOM 0 H SER A 60 1.771 -8.146 7.802 1.00 12.12 H new ATOM 0 HA SER A 60 1.198 -10.659 6.476 1.00 53.40 H new ATOM 0 HB2 SER A 60 0.374 -9.692 8.808 1.00 35.04 H new ATOM 0 HB3 SER A 60 -0.837 -8.884 7.833 1.00 35.04 H new ATOM 0 HG SER A 60 -1.558 -10.891 7.063 1.00 54.52 H new ATOM 864 N ARG A 61 0.130 -9.903 4.390 1.00 34.31 N ATOM 865 CA ARG A 61 -0.503 -9.500 3.140 1.00 62.21 C ATOM 866 C ARG A 61 -2.023 -9.538 3.263 1.00 73.43 C ATOM 867 O ARG A 61 -2.730 -8.801 2.576 1.00 12.54 O ATOM 868 CB ARG A 61 -0.050 -10.411 1.997 1.00 23.25 C ATOM 869 CG ARG A 61 1.026 -9.795 1.117 1.00 33.44 C ATOM 870 CD ARG A 61 0.479 -8.638 0.296 1.00 34.33 C ATOM 871 NE ARG A 61 0.808 -8.769 -1.121 1.00 0.45 N ATOM 872 CZ ARG A 61 0.158 -9.572 -1.955 1.00 65.22 C ATOM 873 NH1 ARG A 61 -0.850 -10.313 -1.517 1.00 54.24 N ATOM 874 NH2 ARG A 61 0.517 -9.636 -3.231 1.00 44.21 N ATOM 0 H ARG A 61 0.564 -10.825 4.365 1.00 34.31 H new ATOM 0 HA ARG A 61 -0.199 -8.476 2.922 1.00 62.21 H new ATOM 0 HB2 ARG A 61 0.325 -11.345 2.415 1.00 23.25 H new ATOM 0 HB3 ARG A 61 -0.913 -10.662 1.380 1.00 23.25 H new ATOM 0 HG2 ARG A 61 1.849 -9.444 1.739 1.00 33.44 H new ATOM 0 HG3 ARG A 61 1.432 -10.556 0.450 1.00 33.44 H new ATOM 0 HD2 ARG A 61 -0.604 -8.590 0.414 1.00 34.33 H new ATOM 0 HD3 ARG A 61 0.883 -7.700 0.677 1.00 34.33 H new ATOM 0 HE ARG A 61 1.579 -8.213 -1.490 1.00 0.45 H new ATOM 0 HH11 ARG A 61 -1.128 -10.267 -0.537 1.00 54.24 H new ATOM 0 HH12 ARG A 61 -1.347 -10.929 -2.160 1.00 54.24 H new ATOM 0 HH21 ARG A 61 1.293 -9.068 -3.572 1.00 44.21 H new ATOM 0 HH22 ARG A 61 0.017 -10.253 -3.871 1.00 44.21 H new ATOM 888 N SER A 62 -2.519 -10.404 4.141 1.00 13.12 N ATOM 889 CA SER A 62 -3.956 -10.542 4.351 1.00 43.40 C ATOM 890 C SER A 62 -4.532 -9.288 5.003 1.00 72.42 C ATOM 891 O SER A 62 -5.722 -8.997 4.870 1.00 4.54 O ATOM 892 CB SER A 62 -4.250 -11.765 5.222 1.00 54.44 C ATOM 893 OG SER A 62 -3.121 -12.120 6.001 1.00 73.03 O ATOM 0 H SER A 62 -1.947 -11.021 4.718 1.00 13.12 H new ATOM 0 HA SER A 62 -4.430 -10.675 3.379 1.00 43.40 H new ATOM 0 HB2 SER A 62 -5.096 -11.554 5.877 1.00 54.44 H new ATOM 0 HB3 SER A 62 -4.538 -12.605 4.590 1.00 54.44 H new ATOM 0 HG SER A 62 -3.335 -12.903 6.550 1.00 73.03 H new ATOM 899 N LEU A 63 -3.681 -8.551 5.707 1.00 10.11 N ATOM 900 CA LEU A 63 -4.104 -7.328 6.381 1.00 50.13 C ATOM 901 C LEU A 63 -3.363 -6.116 5.825 1.00 22.03 C ATOM 902 O LEU A 63 -3.574 -4.988 6.272 1.00 73.34 O ATOM 903 CB LEU A 63 -3.862 -7.442 7.887 1.00 40.02 C ATOM 904 CG LEU A 63 -4.603 -8.572 8.602 1.00 63.40 C ATOM 905 CD1 LEU A 63 -6.046 -8.648 8.129 1.00 51.20 C ATOM 906 CD2 LEU A 63 -3.895 -9.901 8.376 1.00 53.54 C ATOM 0 H LEU A 63 -2.694 -8.778 5.826 1.00 10.11 H new ATOM 0 HA LEU A 63 -5.170 -7.193 6.200 1.00 50.13 H new ATOM 0 HB2 LEU A 63 -2.793 -7.573 8.054 1.00 40.02 H new ATOM 0 HB3 LEU A 63 -4.144 -6.498 8.353 1.00 40.02 H new ATOM 0 HG LEU A 63 -4.604 -8.360 9.671 1.00 63.40 H new ATOM 0 HD11 LEU A 63 -6.557 -9.458 8.649 1.00 51.20 H new ATOM 0 HD12 LEU A 63 -6.549 -7.705 8.343 1.00 51.20 H new ATOM 0 HD13 LEU A 63 -6.068 -8.835 7.055 1.00 51.20 H new ATOM 0 HD21 LEU A 63 -4.436 -10.694 8.892 1.00 53.54 H new ATOM 0 HD22 LEU A 63 -3.863 -10.119 7.309 1.00 53.54 H new ATOM 0 HD23 LEU A 63 -2.879 -9.843 8.765 1.00 53.54 H new ATOM 918 N ASP A 64 -2.495 -6.356 4.848 1.00 34.43 N ATOM 919 CA ASP A 64 -1.725 -5.284 4.229 1.00 61.30 C ATOM 920 C ASP A 64 -1.034 -4.430 5.287 1.00 21.35 C ATOM 921 O ASP A 64 -1.142 -3.204 5.278 1.00 73.04 O ATOM 922 CB ASP A 64 -2.633 -4.409 3.363 1.00 63.50 C ATOM 923 CG ASP A 64 -1.859 -3.361 2.589 1.00 42.24 C ATOM 924 OD1 ASP A 64 -0.611 -3.397 2.625 1.00 33.24 O ATOM 925 OD2 ASP A 64 -2.501 -2.503 1.946 1.00 23.04 O ATOM 0 H ASP A 64 -2.307 -7.284 4.468 1.00 34.43 H new ATOM 0 HA ASP A 64 -0.961 -5.737 3.598 1.00 61.30 H new ATOM 0 HB2 ASP A 64 -3.183 -5.040 2.665 1.00 63.50 H new ATOM 0 HB3 ASP A 64 -3.371 -3.917 3.997 1.00 63.50 H new ATOM 930 N ARG A 65 -0.325 -5.087 6.200 1.00 43.13 N ATOM 931 CA ARG A 65 0.382 -4.388 7.266 1.00 31.14 C ATOM 932 C ARG A 65 1.121 -5.374 8.166 1.00 63.32 C ATOM 933 O ARG A 65 0.833 -6.571 8.160 1.00 24.51 O ATOM 934 CB ARG A 65 -0.598 -3.559 8.098 1.00 11.43 C ATOM 935 CG ARG A 65 -1.834 -4.330 8.531 1.00 20.05 C ATOM 936 CD ARG A 65 -1.981 -4.342 10.045 1.00 21.30 C ATOM 937 NE ARG A 65 -3.352 -4.626 10.460 1.00 71.55 N ATOM 938 CZ ARG A 65 -3.696 -4.923 11.708 1.00 50.21 C ATOM 939 NH1 ARG A 65 -2.774 -4.973 12.659 1.00 64.10 N ATOM 940 NH2 ARG A 65 -4.965 -5.169 12.007 1.00 31.11 N ATOM 0 H ARG A 65 -0.225 -6.102 6.222 1.00 43.13 H new ATOM 0 HA ARG A 65 1.113 -3.722 6.807 1.00 31.14 H new ATOM 0 HB2 ARG A 65 -0.084 -3.186 8.984 1.00 11.43 H new ATOM 0 HB3 ARG A 65 -0.907 -2.689 7.519 1.00 11.43 H new ATOM 0 HG2 ARG A 65 -2.720 -3.881 8.082 1.00 20.05 H new ATOM 0 HG3 ARG A 65 -1.773 -5.354 8.162 1.00 20.05 H new ATOM 0 HD2 ARG A 65 -1.312 -5.091 10.468 1.00 21.30 H new ATOM 0 HD3 ARG A 65 -1.673 -3.377 10.447 1.00 21.30 H new ATOM 0 HE ARG A 65 -4.086 -4.595 9.752 1.00 71.55 H new ATOM 0 HH11 ARG A 65 -1.798 -4.783 12.433 1.00 64.10 H new ATOM 0 HH12 ARG A 65 -3.041 -5.201 13.617 1.00 64.10 H new ATOM 0 HH21 ARG A 65 -5.677 -5.130 11.278 1.00 31.11 H new ATOM 0 HH22 ARG A 65 -5.228 -5.397 12.966 1.00 31.11 H new ATOM 954 N TYR A 66 2.075 -4.864 8.937 1.00 51.43 N ATOM 955 CA TYR A 66 2.858 -5.699 9.839 1.00 34.42 C ATOM 956 C TYR A 66 2.019 -6.148 11.032 1.00 54.40 C ATOM 957 O TYR A 66 1.320 -5.344 11.650 1.00 34.12 O ATOM 958 CB TYR A 66 4.094 -4.941 10.327 1.00 75.51 C ATOM 959 CG TYR A 66 5.337 -5.225 9.515 1.00 23.45 C ATOM 960 CD1 TYR A 66 5.588 -4.543 8.331 1.00 25.32 C ATOM 961 CD2 TYR A 66 6.261 -6.176 9.932 1.00 33.22 C ATOM 962 CE1 TYR A 66 6.723 -4.800 7.586 1.00 2.20 C ATOM 963 CE2 TYR A 66 7.399 -6.438 9.194 1.00 33.12 C ATOM 964 CZ TYR A 66 7.625 -5.748 8.022 1.00 44.41 C ATOM 965 OH TYR A 66 8.757 -6.007 7.283 1.00 2.32 O ATOM 0 H TYR A 66 2.325 -3.875 8.955 1.00 51.43 H new ATOM 0 HA TYR A 66 3.177 -6.584 9.288 1.00 34.42 H new ATOM 0 HB2 TYR A 66 3.888 -3.871 10.299 1.00 75.51 H new ATOM 0 HB3 TYR A 66 4.283 -5.202 11.368 1.00 75.51 H new ATOM 0 HD1 TYR A 66 4.884 -3.799 7.987 1.00 25.32 H new ATOM 0 HD2 TYR A 66 6.086 -6.719 10.849 1.00 33.22 H new ATOM 0 HE1 TYR A 66 6.903 -4.261 6.667 1.00 2.20 H new ATOM 0 HE2 TYR A 66 8.108 -7.179 9.533 1.00 33.12 H new ATOM 0 HH TYR A 66 9.365 -5.240 7.337 1.00 2.32 H new ATOM 975 N ILE A 67 2.094 -7.436 11.349 1.00 1.33 N ATOM 976 CA ILE A 67 1.344 -7.991 12.468 1.00 33.45 C ATOM 977 C ILE A 67 2.265 -8.721 13.440 1.00 62.21 C ATOM 978 O ILE A 67 3.203 -9.413 13.044 1.00 44.14 O ATOM 979 CB ILE A 67 0.251 -8.964 11.986 1.00 0.22 C ATOM 980 CG1 ILE A 67 0.877 -10.283 11.530 1.00 62.22 C ATOM 981 CG2 ILE A 67 -0.556 -8.337 10.860 1.00 54.44 C ATOM 982 CD1 ILE A 67 -0.124 -11.260 10.955 1.00 34.54 C ATOM 0 H ILE A 67 2.667 -8.114 10.847 1.00 1.33 H new ATOM 0 HA ILE A 67 0.873 -7.151 12.979 1.00 33.45 H new ATOM 0 HB ILE A 67 -0.423 -9.172 12.817 1.00 0.22 H new ATOM 0 HG12 ILE A 67 1.640 -10.074 10.780 1.00 62.22 H new ATOM 0 HG13 ILE A 67 1.381 -10.748 12.377 1.00 62.22 H new ATOM 0 HG21 ILE A 67 -1.324 -9.036 10.530 1.00 54.44 H new ATOM 0 HG22 ILE A 67 -1.028 -7.421 11.217 1.00 54.44 H new ATOM 0 HG23 ILE A 67 0.105 -8.103 10.025 1.00 54.44 H new ATOM 0 HD11 ILE A 67 0.390 -12.172 10.653 1.00 34.54 H new ATOM 0 HD12 ILE A 67 -0.874 -11.499 11.709 1.00 34.54 H new ATOM 0 HD13 ILE A 67 -0.611 -10.814 10.088 1.00 34.54 H new ATOM 994 N PRO A 68 1.992 -8.566 14.744 1.00 62.30 N ATOM 995 CA PRO A 68 2.784 -9.205 15.800 1.00 52.23 C ATOM 996 C PRO A 68 2.587 -10.716 15.838 1.00 63.43 C ATOM 997 O PRO A 68 1.459 -11.204 15.903 1.00 70.54 O ATOM 998 CB PRO A 68 2.248 -8.563 17.082 1.00 32.41 C ATOM 999 CG PRO A 68 0.861 -8.139 16.742 1.00 12.02 C ATOM 1000 CD PRO A 68 0.889 -7.756 15.288 1.00 24.42 C ATOM 0 HA PRO A 68 3.854 -9.062 15.651 1.00 52.23 H new ATOM 0 HB2 PRO A 68 2.254 -9.270 17.911 1.00 32.41 H new ATOM 0 HB3 PRO A 68 2.859 -7.713 17.384 1.00 32.41 H new ATOM 0 HG2 PRO A 68 0.152 -8.947 16.919 1.00 12.02 H new ATOM 0 HG3 PRO A 68 0.547 -7.298 17.361 1.00 12.02 H new ATOM 0 HD2 PRO A 68 -0.056 -7.981 14.795 1.00 24.42 H new ATOM 0 HD3 PRO A 68 1.071 -6.689 15.157 1.00 24.42 H new ATOM 1008 N VAL A 69 3.693 -11.454 15.797 1.00 12.55 N ATOM 1009 CA VAL A 69 3.642 -12.910 15.829 1.00 31.30 C ATOM 1010 C VAL A 69 4.699 -13.477 16.770 1.00 0.11 C ATOM 1011 O VAL A 69 5.594 -12.760 17.217 1.00 34.13 O ATOM 1012 CB VAL A 69 3.846 -13.510 14.425 1.00 41.41 C ATOM 1013 CG1 VAL A 69 2.845 -12.922 13.442 1.00 14.35 C ATOM 1014 CG2 VAL A 69 5.272 -13.277 13.949 1.00 40.31 C ATOM 0 H VAL A 69 4.635 -11.066 15.742 1.00 12.55 H new ATOM 0 HA VAL A 69 2.652 -13.184 16.193 1.00 31.30 H new ATOM 0 HB VAL A 69 3.676 -14.585 14.480 1.00 41.41 H new ATOM 0 HG11 VAL A 69 3.005 -13.358 12.456 1.00 14.35 H new ATOM 0 HG12 VAL A 69 1.832 -13.144 13.777 1.00 14.35 H new ATOM 0 HG13 VAL A 69 2.980 -11.842 13.387 1.00 14.35 H new ATOM 0 HG21 VAL A 69 5.399 -13.707 12.956 1.00 40.31 H new ATOM 0 HG22 VAL A 69 5.472 -12.206 13.909 1.00 40.31 H new ATOM 0 HG23 VAL A 69 5.969 -13.750 14.641 1.00 40.31 H new ATOM 1024 N GLU A 70 4.589 -14.768 17.066 1.00 63.43 N ATOM 1025 CA GLU A 70 5.537 -15.431 17.954 1.00 14.05 C ATOM 1026 C GLU A 70 5.988 -16.767 17.370 1.00 11.44 C ATOM 1027 O GLU A 70 5.183 -17.681 17.190 1.00 53.14 O ATOM 1028 CB GLU A 70 4.909 -15.651 19.333 1.00 41.44 C ATOM 1029 CG GLU A 70 5.856 -16.282 20.339 1.00 62.30 C ATOM 1030 CD GLU A 70 5.160 -16.677 21.627 1.00 61.41 C ATOM 1031 OE1 GLU A 70 4.082 -16.117 21.915 1.00 30.43 O ATOM 1032 OE2 GLU A 70 5.694 -17.548 22.346 1.00 1.42 O ATOM 0 H GLU A 70 3.854 -15.375 16.704 1.00 63.43 H new ATOM 0 HA GLU A 70 6.410 -14.787 18.058 1.00 14.05 H new ATOM 0 HB2 GLU A 70 4.564 -14.693 19.723 1.00 41.44 H new ATOM 0 HB3 GLU A 70 4.030 -16.287 19.225 1.00 41.44 H new ATOM 0 HG2 GLU A 70 6.317 -17.164 19.895 1.00 62.30 H new ATOM 0 HG3 GLU A 70 6.660 -15.581 20.565 1.00 62.30 H new ATOM 1039 N CYS A 71 7.279 -16.871 17.077 1.00 2.01 N ATOM 1040 CA CYS A 71 7.839 -18.094 16.512 1.00 55.21 C ATOM 1041 C CYS A 71 9.014 -18.591 17.348 1.00 75.15 C ATOM 1042 O CYS A 71 9.667 -17.813 18.041 1.00 44.33 O ATOM 1043 CB CYS A 71 8.288 -17.855 15.070 1.00 54.14 C ATOM 1044 SG CYS A 71 9.125 -16.273 14.810 1.00 74.45 S ATOM 0 H CYS A 71 7.958 -16.124 17.221 1.00 2.01 H new ATOM 0 HA CYS A 71 7.062 -18.858 16.521 1.00 55.21 H new ATOM 0 HB2 CYS A 71 8.957 -18.662 14.771 1.00 54.14 H new ATOM 0 HB3 CYS A 71 7.417 -17.905 14.417 1.00 54.14 H new ATOM 0 HG CYS A 71 9.218 -15.640 15.942 1.00 74.45 H new ATOM 1050 N GLU A 72 9.274 -19.893 17.277 1.00 1.23 N ATOM 1051 CA GLU A 72 10.369 -20.494 18.030 1.00 40.31 C ATOM 1052 C GLU A 72 11.486 -20.949 17.095 1.00 3.53 C ATOM 1053 O GLU A 72 11.238 -21.622 16.096 1.00 61.21 O ATOM 1054 CB GLU A 72 9.862 -21.681 18.852 1.00 53.45 C ATOM 1055 CG GLU A 72 8.923 -22.596 18.083 1.00 3.03 C ATOM 1056 CD GLU A 72 8.374 -23.720 18.940 1.00 71.11 C ATOM 1057 OE1 GLU A 72 9.068 -24.133 19.892 1.00 24.22 O ATOM 1058 OE2 GLU A 72 7.250 -24.187 18.658 1.00 5.23 O ATOM 0 H GLU A 72 8.742 -20.551 16.707 1.00 1.23 H new ATOM 0 HA GLU A 72 10.769 -19.738 18.706 1.00 40.31 H new ATOM 0 HB2 GLU A 72 10.716 -22.261 19.202 1.00 53.45 H new ATOM 0 HB3 GLU A 72 9.347 -21.306 19.737 1.00 53.45 H new ATOM 0 HG2 GLU A 72 8.095 -22.009 17.685 1.00 3.03 H new ATOM 0 HG3 GLU A 72 9.452 -23.020 17.230 1.00 3.03 H new ATOM 1065 N ALA A 73 12.717 -20.574 17.428 1.00 23.33 N ATOM 1066 CA ALA A 73 13.873 -20.944 16.621 1.00 70.33 C ATOM 1067 C ALA A 73 14.247 -22.407 16.836 1.00 43.24 C ATOM 1068 O ALA A 73 14.432 -22.851 17.969 1.00 12.24 O ATOM 1069 CB ALA A 73 15.054 -20.042 16.945 1.00 3.12 C ATOM 0 H ALA A 73 12.939 -20.014 18.251 1.00 23.33 H new ATOM 0 HA ALA A 73 13.609 -20.814 15.572 1.00 70.33 H new ATOM 0 HB1 ALA A 73 15.910 -20.330 16.335 1.00 3.12 H new ATOM 0 HB2 ALA A 73 14.789 -19.006 16.733 1.00 3.12 H new ATOM 0 HB3 ALA A 73 15.310 -20.143 18.000 1.00 3.12 H new ATOM 1075 N HIS A 74 14.357 -23.152 15.740 1.00 4.13 N ATOM 1076 CA HIS A 74 14.710 -24.566 15.810 1.00 52.45 C ATOM 1077 C HIS A 74 15.934 -24.863 14.950 1.00 45.14 C ATOM 1078 O HIS A 74 15.968 -24.533 13.764 1.00 14.40 O ATOM 1079 CB HIS A 74 13.532 -25.429 15.357 1.00 62.34 C ATOM 1080 CG HIS A 74 12.486 -25.616 16.412 1.00 73.14 C ATOM 1081 ND1 HIS A 74 12.691 -26.365 17.551 1.00 1.21 N ATOM 1082 CD2 HIS A 74 11.220 -25.145 16.496 1.00 13.30 C ATOM 1083 CE1 HIS A 74 11.596 -26.347 18.290 1.00 61.40 C ATOM 1084 NE2 HIS A 74 10.688 -25.613 17.672 1.00 23.43 N ATOM 0 H HIS A 74 14.207 -22.801 14.794 1.00 4.13 H new ATOM 0 HA HIS A 74 14.949 -24.805 16.846 1.00 52.45 H new ATOM 0 HB2 HIS A 74 13.074 -24.972 14.480 1.00 62.34 H new ATOM 0 HB3 HIS A 74 13.905 -26.406 15.050 1.00 62.34 H new ATOM 0 HD1 HIS A 74 13.553 -26.856 17.786 1.00 1.21 H new ATOM 0 HD2 HIS A 74 10.721 -24.518 15.772 1.00 13.30 H new ATOM 0 HE1 HIS A 74 11.465 -26.847 19.238 1.00 61.40 H new ATOM 1092 N ASP A 75 16.939 -25.487 15.555 1.00 73.32 N ATOM 1093 CA ASP A 75 18.166 -25.829 14.844 1.00 34.44 C ATOM 1094 C ASP A 75 17.854 -26.564 13.544 1.00 11.22 C ATOM 1095 O ASP A 75 18.599 -26.463 12.569 1.00 33.13 O ATOM 1096 CB ASP A 75 19.068 -26.692 15.728 1.00 2.20 C ATOM 1097 CG ASP A 75 19.473 -25.985 17.006 1.00 2.25 C ATOM 1098 OD1 ASP A 75 19.889 -24.810 16.929 1.00 41.42 O ATOM 1099 OD2 ASP A 75 19.374 -26.606 18.085 1.00 74.32 O ATOM 0 H ASP A 75 16.928 -25.766 16.536 1.00 73.32 H new ATOM 0 HA ASP A 75 18.686 -24.903 14.601 1.00 34.44 H new ATOM 0 HB2 ASP A 75 18.549 -27.618 15.977 1.00 2.20 H new ATOM 0 HB3 ASP A 75 19.963 -26.968 15.170 1.00 2.20 H new ATOM 1104 N TRP A 76 16.750 -27.302 13.538 1.00 21.31 N ATOM 1105 CA TRP A 76 16.341 -28.055 12.358 1.00 52.24 C ATOM 1106 C TRP A 76 14.942 -28.633 12.539 1.00 55.33 C ATOM 1107 O TRP A 76 14.576 -29.069 13.631 1.00 43.33 O ATOM 1108 CB TRP A 76 17.338 -29.179 12.073 1.00 33.54 C ATOM 1109 CG TRP A 76 17.427 -30.188 13.179 1.00 53.32 C ATOM 1110 CD1 TRP A 76 16.541 -31.193 13.445 1.00 41.23 C ATOM 1111 CD2 TRP A 76 18.457 -30.287 14.168 1.00 45.44 C ATOM 1112 NE1 TRP A 76 16.959 -31.910 14.539 1.00 23.53 N ATOM 1113 CE2 TRP A 76 18.133 -31.375 15.000 1.00 32.25 C ATOM 1114 CE3 TRP A 76 19.624 -29.563 14.429 1.00 20.02 C ATOM 1115 CZ2 TRP A 76 18.933 -31.754 16.075 1.00 35.23 C ATOM 1116 CZ3 TRP A 76 20.417 -29.940 15.496 1.00 35.25 C ATOM 1117 CH2 TRP A 76 20.069 -31.028 16.308 1.00 33.04 C ATOM 0 H TRP A 76 16.122 -27.395 14.337 1.00 21.31 H new ATOM 0 HA TRP A 76 16.324 -27.371 11.510 1.00 52.24 H new ATOM 0 HB2 TRP A 76 17.051 -29.685 11.151 1.00 33.54 H new ATOM 0 HB3 TRP A 76 18.324 -28.746 11.905 1.00 33.54 H new ATOM 0 HD1 TRP A 76 15.644 -31.394 12.878 1.00 41.23 H new ATOM 0 HE1 TRP A 76 16.474 -32.711 14.943 1.00 23.53 H new ATOM 0 HE3 TRP A 76 19.901 -28.724 13.808 1.00 20.02 H new ATOM 0 HZ2 TRP A 76 18.666 -32.591 16.703 1.00 35.23 H new ATOM 0 HZ3 TRP A 76 21.320 -29.387 15.708 1.00 35.25 H new ATOM 0 HH2 TRP A 76 20.710 -31.299 17.134 1.00 33.04 H new ATOM 1128 N TYR A 77 14.163 -28.633 11.463 1.00 72.44 N ATOM 1129 CA TYR A 77 12.802 -29.156 11.504 1.00 23.21 C ATOM 1130 C TYR A 77 12.474 -29.924 10.227 1.00 3.30 C ATOM 1131 O TYR A 77 12.970 -29.617 9.143 1.00 43.42 O ATOM 1132 CB TYR A 77 11.801 -28.016 11.699 1.00 61.24 C ATOM 1133 CG TYR A 77 10.997 -28.128 12.974 1.00 12.30 C ATOM 1134 CD1 TYR A 77 11.618 -28.087 14.216 1.00 3.31 C ATOM 1135 CD2 TYR A 77 9.616 -28.275 12.937 1.00 12.02 C ATOM 1136 CE1 TYR A 77 10.888 -28.189 15.384 1.00 13.12 C ATOM 1137 CE2 TYR A 77 8.877 -28.376 14.100 1.00 20.41 C ATOM 1138 CZ TYR A 77 9.517 -28.333 15.321 1.00 64.01 C ATOM 1139 OH TYR A 77 8.785 -28.435 16.482 1.00 62.25 O ATOM 0 H TYR A 77 14.450 -28.277 10.552 1.00 72.44 H new ATOM 0 HA TYR A 77 12.729 -29.843 12.347 1.00 23.21 H new ATOM 0 HB2 TYR A 77 12.339 -27.068 11.701 1.00 61.24 H new ATOM 0 HB3 TYR A 77 11.118 -27.994 10.850 1.00 61.24 H new ATOM 0 HD1 TYR A 77 12.691 -27.973 14.269 1.00 3.31 H new ATOM 0 HD2 TYR A 77 9.111 -28.311 11.983 1.00 12.02 H new ATOM 0 HE1 TYR A 77 11.387 -28.156 16.341 1.00 13.12 H new ATOM 0 HE2 TYR A 77 7.804 -28.488 14.053 1.00 20.41 H new ATOM 0 HH TYR A 77 7.835 -28.530 16.262 1.00 62.25 H new ATOM 1149 N PRO A 78 11.617 -30.947 10.357 1.00 61.23 N ATOM 1150 CA PRO A 78 11.202 -31.780 9.224 1.00 34.03 C ATOM 1151 C PRO A 78 10.306 -31.026 8.248 1.00 52.42 C ATOM 1152 O PRO A 78 9.308 -30.423 8.644 1.00 74.45 O ATOM 1153 CB PRO A 78 10.427 -32.921 9.889 1.00 52.05 C ATOM 1154 CG PRO A 78 9.936 -32.348 11.173 1.00 53.10 C ATOM 1155 CD PRO A 78 10.987 -31.370 11.619 1.00 41.31 C ATOM 0 HA PRO A 78 12.053 -32.113 8.629 1.00 34.03 H new ATOM 0 HB2 PRO A 78 9.600 -33.255 9.263 1.00 52.05 H new ATOM 0 HB3 PRO A 78 11.067 -33.787 10.061 1.00 52.05 H new ATOM 0 HG2 PRO A 78 8.975 -31.853 11.037 1.00 53.10 H new ATOM 0 HG3 PRO A 78 9.789 -33.130 11.918 1.00 53.10 H new ATOM 0 HD2 PRO A 78 10.550 -30.526 12.153 1.00 41.31 H new ATOM 0 HD3 PRO A 78 11.708 -31.834 12.292 1.00 41.31 H new ATOM 1163 N VAL A 79 10.668 -31.063 6.969 1.00 4.44 N ATOM 1164 CA VAL A 79 9.896 -30.384 5.936 1.00 43.43 C ATOM 1165 C VAL A 79 9.283 -31.383 4.962 1.00 65.44 C ATOM 1166 O VAL A 79 9.954 -31.867 4.051 1.00 61.44 O ATOM 1167 CB VAL A 79 10.767 -29.385 5.150 1.00 72.23 C ATOM 1168 CG1 VAL A 79 12.118 -30.000 4.819 1.00 61.15 C ATOM 1169 CG2 VAL A 79 10.052 -28.936 3.884 1.00 35.44 C ATOM 0 H VAL A 79 11.491 -31.556 6.624 1.00 4.44 H new ATOM 0 HA VAL A 79 9.099 -29.840 6.443 1.00 43.43 H new ATOM 0 HB VAL A 79 10.937 -28.508 5.775 1.00 72.23 H new ATOM 0 HG11 VAL A 79 12.719 -29.280 4.264 1.00 61.15 H new ATOM 0 HG12 VAL A 79 12.632 -30.267 5.742 1.00 61.15 H new ATOM 0 HG13 VAL A 79 11.972 -30.894 4.213 1.00 61.15 H new ATOM 0 HG21 VAL A 79 10.681 -28.231 3.341 1.00 35.44 H new ATOM 0 HG22 VAL A 79 9.850 -29.802 3.254 1.00 35.44 H new ATOM 0 HG23 VAL A 79 9.111 -28.453 4.149 1.00 35.44 H new ATOM 1179 N GLU A 80 8.005 -31.688 5.161 1.00 53.45 N ATOM 1180 CA GLU A 80 7.302 -32.631 4.299 1.00 55.41 C ATOM 1181 C GLU A 80 7.496 -32.273 2.828 1.00 22.32 C ATOM 1182 O GLU A 80 7.579 -31.099 2.471 1.00 45.14 O ATOM 1183 CB GLU A 80 5.809 -32.650 4.637 1.00 24.03 C ATOM 1184 CG GLU A 80 5.213 -31.267 4.840 1.00 24.23 C ATOM 1185 CD GLU A 80 3.840 -31.126 4.214 1.00 74.31 C ATOM 1186 OE1 GLU A 80 3.742 -31.219 2.972 1.00 2.02 O ATOM 1187 OE2 GLU A 80 2.863 -30.923 4.965 1.00 74.35 O ATOM 0 H GLU A 80 7.435 -31.296 5.911 1.00 53.45 H new ATOM 0 HA GLU A 80 7.720 -33.623 4.472 1.00 55.41 H new ATOM 0 HB2 GLU A 80 5.270 -33.155 3.835 1.00 24.03 H new ATOM 0 HB3 GLU A 80 5.657 -33.238 5.542 1.00 24.03 H new ATOM 0 HG2 GLU A 80 5.145 -31.058 5.908 1.00 24.23 H new ATOM 0 HG3 GLU A 80 5.882 -30.521 4.411 1.00 24.23 H new ATOM 1194 N GLU A 81 7.568 -33.295 1.981 1.00 22.53 N ATOM 1195 CA GLU A 81 7.755 -33.089 0.550 1.00 75.01 C ATOM 1196 C GLU A 81 6.765 -32.057 0.016 1.00 63.13 C ATOM 1197 O GLU A 81 5.590 -32.058 0.382 1.00 33.34 O ATOM 1198 CB GLU A 81 7.588 -34.410 -0.204 1.00 54.24 C ATOM 1199 CG GLU A 81 6.399 -35.233 0.264 1.00 4.55 C ATOM 1200 CD GLU A 81 6.092 -36.394 -0.661 1.00 43.20 C ATOM 1201 OE1 GLU A 81 7.039 -37.113 -1.044 1.00 41.53 O ATOM 1202 OE2 GLU A 81 4.906 -36.584 -1.002 1.00 43.21 O ATOM 0 H GLU A 81 7.500 -34.273 2.261 1.00 22.53 H new ATOM 0 HA GLU A 81 8.766 -32.714 0.391 1.00 75.01 H new ATOM 0 HB2 GLU A 81 7.477 -34.200 -1.268 1.00 54.24 H new ATOM 0 HB3 GLU A 81 8.496 -35.002 -0.089 1.00 54.24 H new ATOM 0 HG2 GLU A 81 6.598 -35.614 1.266 1.00 4.55 H new ATOM 0 HG3 GLU A 81 5.522 -34.589 0.336 1.00 4.55 H new ATOM 1209 N THR A 82 7.250 -31.176 -0.853 1.00 42.44 N ATOM 1210 CA THR A 82 6.411 -30.137 -1.437 1.00 40.12 C ATOM 1211 C THR A 82 6.906 -29.746 -2.825 1.00 12.30 C ATOM 1212 O THR A 82 7.771 -30.410 -3.395 1.00 2.24 O ATOM 1213 CB THR A 82 6.370 -28.881 -0.546 1.00 41.03 C ATOM 1214 OG1 THR A 82 6.884 -29.187 0.755 1.00 14.50 O ATOM 1215 CG2 THR A 82 4.950 -28.350 -0.425 1.00 12.22 C ATOM 0 H THR A 82 8.220 -31.161 -1.168 1.00 42.44 H new ATOM 0 HA THR A 82 5.405 -30.550 -1.516 1.00 40.12 H new ATOM 0 HB THR A 82 6.989 -28.113 -1.009 1.00 41.03 H new ATOM 0 HG1 THR A 82 6.851 -28.385 1.317 1.00 14.50 H new ATOM 0 HG21 THR A 82 4.946 -27.463 0.209 1.00 12.22 H new ATOM 0 HG22 THR A 82 4.573 -28.091 -1.414 1.00 12.22 H new ATOM 0 HG23 THR A 82 4.312 -29.115 0.017 1.00 12.22 H new ATOM 1223 N GLN A 83 6.352 -28.664 -3.363 1.00 15.14 N ATOM 1224 CA GLN A 83 6.738 -28.185 -4.685 1.00 32.14 C ATOM 1225 C GLN A 83 8.002 -27.335 -4.608 1.00 15.22 C ATOM 1226 O GLN A 83 8.679 -27.120 -5.613 1.00 42.11 O ATOM 1227 CB GLN A 83 5.601 -27.375 -5.309 1.00 14.40 C ATOM 1228 CG GLN A 83 5.402 -26.011 -4.667 1.00 50.13 C ATOM 1229 CD GLN A 83 3.963 -25.538 -4.736 1.00 4.32 C ATOM 1230 OE1 GLN A 83 3.179 -26.017 -5.555 1.00 15.50 O ATOM 1231 NE2 GLN A 83 3.609 -24.592 -3.873 1.00 61.32 N ATOM 0 H GLN A 83 5.635 -28.103 -2.904 1.00 15.14 H new ATOM 0 HA GLN A 83 6.943 -29.052 -5.313 1.00 32.14 H new ATOM 0 HB2 GLN A 83 5.802 -27.241 -6.372 1.00 14.40 H new ATOM 0 HB3 GLN A 83 4.675 -27.944 -5.229 1.00 14.40 H new ATOM 0 HG2 GLN A 83 5.716 -26.055 -3.624 1.00 50.13 H new ATOM 0 HG3 GLN A 83 6.044 -25.283 -5.163 1.00 50.13 H new ATOM 0 HE21 GLN A 83 4.292 -24.224 -3.211 1.00 61.32 H new ATOM 0 HE22 GLN A 83 2.654 -24.234 -3.872 1.00 61.32 H new ATOM 1240 N TYR A 84 8.313 -26.853 -3.410 1.00 34.45 N ATOM 1241 CA TYR A 84 9.494 -26.024 -3.202 1.00 53.11 C ATOM 1242 C TYR A 84 10.686 -26.872 -2.768 1.00 54.25 C ATOM 1243 O TYR A 84 11.836 -26.448 -2.879 1.00 23.05 O ATOM 1244 CB TYR A 84 9.210 -24.949 -2.152 1.00 15.30 C ATOM 1245 CG TYR A 84 8.654 -25.498 -0.858 1.00 33.23 C ATOM 1246 CD1 TYR A 84 9.489 -26.078 0.089 1.00 62.51 C ATOM 1247 CD2 TYR A 84 7.293 -25.438 -0.582 1.00 24.33 C ATOM 1248 CE1 TYR A 84 8.986 -26.583 1.273 1.00 50.43 C ATOM 1249 CE2 TYR A 84 6.782 -25.938 0.600 1.00 74.51 C ATOM 1250 CZ TYR A 84 7.632 -26.510 1.524 1.00 53.23 C ATOM 1251 OH TYR A 84 7.126 -27.010 2.701 1.00 35.53 O ATOM 0 H TYR A 84 7.763 -27.022 -2.568 1.00 34.45 H new ATOM 0 HA TYR A 84 9.739 -25.542 -4.149 1.00 53.11 H new ATOM 0 HB2 TYR A 84 10.132 -24.407 -1.941 1.00 15.30 H new ATOM 0 HB3 TYR A 84 8.504 -24.228 -2.564 1.00 15.30 H new ATOM 0 HD1 TYR A 84 10.550 -26.135 -0.104 1.00 62.51 H new ATOM 0 HD2 TYR A 84 6.624 -24.993 -1.304 1.00 24.33 H new ATOM 0 HE1 TYR A 84 9.649 -27.032 1.997 1.00 50.43 H new ATOM 0 HE2 TYR A 84 5.722 -25.881 0.800 1.00 74.51 H new ATOM 0 HH TYR A 84 6.155 -26.879 2.721 1.00 35.53 H new ATOM 1261 N TYR A 85 10.401 -28.072 -2.276 1.00 30.12 N ATOM 1262 CA TYR A 85 11.448 -28.980 -1.823 1.00 60.54 C ATOM 1263 C TYR A 85 10.851 -30.284 -1.301 1.00 54.35 C ATOM 1264 O TYR A 85 9.822 -30.298 -0.625 1.00 21.12 O ATOM 1265 CB TYR A 85 12.289 -28.319 -0.731 1.00 5.41 C ATOM 1266 CG TYR A 85 13.779 -28.472 -0.938 1.00 24.24 C ATOM 1267 CD1 TYR A 85 14.375 -28.105 -2.138 1.00 4.01 C ATOM 1268 CD2 TYR A 85 14.591 -28.985 0.067 1.00 71.45 C ATOM 1269 CE1 TYR A 85 15.736 -28.244 -2.332 1.00 21.13 C ATOM 1270 CE2 TYR A 85 15.953 -29.127 -0.118 1.00 14.41 C ATOM 1271 CZ TYR A 85 16.520 -28.755 -1.319 1.00 5.13 C ATOM 1272 OH TYR A 85 17.876 -28.895 -1.507 1.00 24.32 O ATOM 0 H TYR A 85 9.454 -28.439 -2.181 1.00 30.12 H new ATOM 0 HA TYR A 85 12.087 -29.210 -2.676 1.00 60.54 H new ATOM 0 HB2 TYR A 85 12.044 -27.258 -0.688 1.00 5.41 H new ATOM 0 HB3 TYR A 85 12.019 -28.748 0.234 1.00 5.41 H new ATOM 0 HD1 TYR A 85 13.764 -27.704 -2.933 1.00 4.01 H new ATOM 0 HD2 TYR A 85 14.150 -29.278 1.008 1.00 71.45 H new ATOM 0 HE1 TYR A 85 16.183 -27.954 -3.271 1.00 21.13 H new ATOM 0 HE2 TYR A 85 16.570 -29.527 0.673 1.00 14.41 H new ATOM 0 HH TYR A 85 18.045 -29.625 -2.139 1.00 24.32 H new ATOM 1282 N PRO A 86 11.511 -31.406 -1.623 1.00 32.25 N ATOM 1283 CA PRO A 86 11.065 -32.736 -1.196 1.00 62.11 C ATOM 1284 C PRO A 86 11.233 -32.950 0.304 1.00 33.04 C ATOM 1285 O PRO A 86 11.739 -32.080 1.014 1.00 72.14 O ATOM 1286 CB PRO A 86 11.979 -33.684 -1.977 1.00 5.34 C ATOM 1287 CG PRO A 86 13.206 -32.884 -2.254 1.00 75.20 C ATOM 1288 CD PRO A 86 12.743 -31.464 -2.426 1.00 45.40 C ATOM 0 HA PRO A 86 10.003 -32.891 -1.388 1.00 62.11 H new ATOM 0 HB2 PRO A 86 12.211 -34.577 -1.397 1.00 5.34 H new ATOM 0 HB3 PRO A 86 11.507 -34.018 -2.901 1.00 5.34 H new ATOM 0 HG2 PRO A 86 13.919 -32.966 -1.433 1.00 75.20 H new ATOM 0 HG3 PRO A 86 13.711 -33.241 -3.151 1.00 75.20 H new ATOM 0 HD2 PRO A 86 13.488 -30.753 -2.070 1.00 45.40 H new ATOM 0 HD3 PRO A 86 12.552 -31.228 -3.473 1.00 45.40 H new ATOM 1296 N LYS A 87 10.805 -34.114 0.783 1.00 40.52 N ATOM 1297 CA LYS A 87 10.909 -34.444 2.199 1.00 11.42 C ATOM 1298 C LYS A 87 12.364 -34.427 2.657 1.00 51.05 C ATOM 1299 O LYS A 87 13.232 -35.023 2.019 1.00 64.23 O ATOM 1300 CB LYS A 87 10.294 -35.819 2.470 1.00 52.51 C ATOM 1301 CG LYS A 87 9.417 -35.859 3.710 1.00 63.32 C ATOM 1302 CD LYS A 87 10.096 -36.603 4.848 1.00 74.10 C ATOM 1303 CE LYS A 87 9.835 -35.930 6.187 1.00 30.40 C ATOM 1304 NZ LYS A 87 10.252 -36.789 7.330 1.00 72.53 N ATOM 0 H LYS A 87 10.383 -34.845 0.210 1.00 40.52 H new ATOM 0 HA LYS A 87 10.360 -33.690 2.763 1.00 11.42 H new ATOM 0 HB2 LYS A 87 9.701 -36.119 1.606 1.00 52.51 H new ATOM 0 HB3 LYS A 87 11.094 -36.551 2.577 1.00 52.51 H new ATOM 0 HG2 LYS A 87 9.185 -34.842 4.026 1.00 63.32 H new ATOM 0 HG3 LYS A 87 8.470 -36.343 3.472 1.00 63.32 H new ATOM 0 HD2 LYS A 87 9.734 -37.631 4.879 1.00 74.10 H new ATOM 0 HD3 LYS A 87 11.170 -36.648 4.665 1.00 74.10 H new ATOM 0 HE2 LYS A 87 10.374 -34.983 6.229 1.00 30.40 H new ATOM 0 HE3 LYS A 87 8.774 -35.697 6.276 1.00 30.40 H new ATOM 0 HZ1 LYS A 87 10.058 -36.295 8.224 1.00 72.53 H new ATOM 0 HZ2 LYS A 87 9.720 -37.682 7.305 1.00 72.53 H new ATOM 0 HZ3 LYS A 87 11.270 -36.990 7.260 1.00 72.53 H new ATOM 1318 N HIS A 88 12.623 -33.742 3.766 1.00 42.33 N ATOM 1319 CA HIS A 88 13.974 -33.650 4.309 1.00 14.34 C ATOM 1320 C HIS A 88 13.989 -32.818 5.588 1.00 12.22 C ATOM 1321 O HIS A 88 12.938 -32.496 6.143 1.00 34.22 O ATOM 1322 CB HIS A 88 14.921 -33.037 3.277 1.00 30.34 C ATOM 1323 CG HIS A 88 16.147 -33.860 3.028 1.00 44.04 C ATOM 1324 ND1 HIS A 88 16.804 -33.883 1.816 1.00 44.35 N ATOM 1325 CD2 HIS A 88 16.837 -34.691 3.843 1.00 21.14 C ATOM 1326 CE1 HIS A 88 17.844 -34.694 1.896 1.00 2.50 C ATOM 1327 NE2 HIS A 88 17.887 -35.197 3.117 1.00 52.45 N ATOM 0 H HIS A 88 11.916 -33.243 4.306 1.00 42.33 H new ATOM 0 HA HIS A 88 14.313 -34.658 4.548 1.00 14.34 H new ATOM 0 HB2 HIS A 88 14.385 -32.905 2.337 1.00 30.34 H new ATOM 0 HB3 HIS A 88 15.221 -32.045 3.615 1.00 30.34 H new ATOM 0 HD2 HIS A 88 16.605 -34.915 4.874 1.00 21.14 H new ATOM 0 HE1 HIS A 88 18.540 -34.909 1.099 1.00 2.50 H new ATOM 0 HE2 HIS A 88 18.586 -35.854 3.464 1.00 52.45 H new ATOM 1335 N ILE A 89 15.186 -32.474 6.050 1.00 1.32 N ATOM 1336 CA ILE A 89 15.337 -31.679 7.263 1.00 61.30 C ATOM 1337 C ILE A 89 16.057 -30.367 6.974 1.00 3.42 C ATOM 1338 O ILE A 89 17.141 -30.358 6.390 1.00 14.25 O ATOM 1339 CB ILE A 89 16.113 -32.450 8.348 1.00 51.34 C ATOM 1340 CG1 ILE A 89 15.506 -33.840 8.550 1.00 52.52 C ATOM 1341 CG2 ILE A 89 16.112 -31.670 9.654 1.00 31.21 C ATOM 1342 CD1 ILE A 89 14.051 -33.809 8.962 1.00 74.14 C ATOM 0 H ILE A 89 16.066 -32.733 5.603 1.00 1.32 H new ATOM 0 HA ILE A 89 14.332 -31.466 7.628 1.00 61.30 H new ATOM 0 HB ILE A 89 17.145 -32.570 8.020 1.00 51.34 H new ATOM 0 HG12 ILE A 89 15.601 -34.407 7.624 1.00 52.52 H new ATOM 0 HG13 ILE A 89 16.079 -34.371 9.310 1.00 52.52 H new ATOM 0 HG21 ILE A 89 16.664 -32.227 10.411 1.00 31.21 H new ATOM 0 HG22 ILE A 89 16.586 -30.701 9.499 1.00 31.21 H new ATOM 0 HG23 ILE A 89 15.085 -31.522 9.989 1.00 31.21 H new ATOM 0 HD11 ILE A 89 13.687 -34.829 9.087 1.00 74.14 H new ATOM 0 HD12 ILE A 89 13.951 -33.270 9.904 1.00 74.14 H new ATOM 0 HD13 ILE A 89 13.465 -33.306 8.192 1.00 74.14 H new ATOM 1354 N GLN A 90 15.448 -29.260 7.389 1.00 64.32 N ATOM 1355 CA GLN A 90 16.033 -27.942 7.175 1.00 12.43 C ATOM 1356 C GLN A 90 16.791 -27.475 8.414 1.00 55.01 C ATOM 1357 O GLN A 90 16.815 -28.163 9.435 1.00 65.24 O ATOM 1358 CB GLN A 90 14.943 -26.929 6.818 1.00 20.31 C ATOM 1359 CG GLN A 90 14.854 -26.631 5.330 1.00 3.53 C ATOM 1360 CD GLN A 90 14.237 -25.276 5.043 1.00 61.02 C ATOM 1361 OE1 GLN A 90 14.696 -24.252 5.549 1.00 44.32 O ATOM 1362 NE2 GLN A 90 13.190 -25.264 4.226 1.00 11.44 N ATOM 0 H GLN A 90 14.551 -29.250 7.875 1.00 64.32 H new ATOM 0 HA GLN A 90 16.737 -28.015 6.346 1.00 12.43 H new ATOM 0 HB2 GLN A 90 13.980 -27.307 7.163 1.00 20.31 H new ATOM 0 HB3 GLN A 90 15.132 -26.000 7.356 1.00 20.31 H new ATOM 0 HG2 GLN A 90 15.853 -26.671 4.895 1.00 3.53 H new ATOM 0 HG3 GLN A 90 14.263 -27.406 4.843 1.00 3.53 H new ATOM 0 HE21 GLN A 90 12.843 -26.137 3.829 1.00 11.44 H new ATOM 0 HE22 GLN A 90 12.733 -24.382 3.995 1.00 11.44 H new ATOM 1371 N TYR A 91 17.407 -26.303 8.317 1.00 2.51 N ATOM 1372 CA TYR A 91 18.168 -25.745 9.429 1.00 63.21 C ATOM 1373 C TYR A 91 17.861 -24.262 9.610 1.00 2.20 C ATOM 1374 O TYR A 91 17.652 -23.537 8.638 1.00 14.15 O ATOM 1375 CB TYR A 91 19.667 -25.942 9.198 1.00 65.51 C ATOM 1376 CG TYR A 91 20.179 -27.290 9.656 1.00 13.54 C ATOM 1377 CD1 TYR A 91 19.773 -28.460 9.026 1.00 15.44 C ATOM 1378 CD2 TYR A 91 21.067 -27.393 10.720 1.00 52.42 C ATOM 1379 CE1 TYR A 91 20.236 -29.693 9.442 1.00 3.32 C ATOM 1380 CE2 TYR A 91 21.537 -28.621 11.141 1.00 31.24 C ATOM 1381 CZ TYR A 91 21.119 -29.768 10.500 1.00 74.24 C ATOM 1382 OH TYR A 91 21.584 -30.994 10.918 1.00 75.25 O ATOM 0 H TYR A 91 17.395 -25.720 7.480 1.00 2.51 H new ATOM 0 HA TYR A 91 17.874 -26.272 10.337 1.00 63.21 H new ATOM 0 HB2 TYR A 91 19.881 -25.823 8.136 1.00 65.51 H new ATOM 0 HB3 TYR A 91 20.213 -25.158 9.723 1.00 65.51 H new ATOM 0 HD1 TYR A 91 19.083 -28.404 8.197 1.00 15.44 H new ATOM 0 HD2 TYR A 91 21.395 -26.497 11.226 1.00 52.42 H new ATOM 0 HE1 TYR A 91 19.909 -30.593 8.942 1.00 3.32 H new ATOM 0 HE2 TYR A 91 22.229 -28.683 11.968 1.00 31.24 H new ATOM 0 HH TYR A 91 22.198 -30.871 11.672 1.00 75.25 H new ATOM 1392 N ASN A 92 17.837 -23.818 10.863 1.00 41.24 N ATOM 1393 CA ASN A 92 17.556 -22.421 11.173 1.00 11.11 C ATOM 1394 C ASN A 92 16.148 -22.037 10.727 1.00 64.14 C ATOM 1395 O ASN A 92 15.973 -21.272 9.777 1.00 23.02 O ATOM 1396 CB ASN A 92 18.583 -21.510 10.498 1.00 3.11 C ATOM 1397 CG ASN A 92 19.936 -22.178 10.345 1.00 21.01 C ATOM 1398 OD1 ASN A 92 20.394 -22.430 9.230 1.00 33.44 O ATOM 1399 ND2 ASN A 92 20.583 -22.468 11.468 1.00 31.10 N ATOM 0 H ASN A 92 18.009 -24.405 11.679 1.00 41.24 H new ATOM 0 HA ASN A 92 17.623 -22.294 12.254 1.00 11.11 H new ATOM 0 HB2 ASN A 92 18.213 -21.215 9.516 1.00 3.11 H new ATOM 0 HB3 ASN A 92 18.695 -20.597 11.083 1.00 3.11 H new ATOM 0 HD21 ASN A 92 21.498 -22.918 11.428 1.00 31.10 H new ATOM 0 HD22 ASN A 92 20.165 -22.241 12.370 1.00 31.10 H new ATOM 1406 N LEU A 93 15.148 -22.573 11.417 1.00 1.43 N ATOM 1407 CA LEU A 93 13.755 -22.286 11.093 1.00 32.12 C ATOM 1408 C LEU A 93 13.017 -21.728 12.306 1.00 22.10 C ATOM 1409 O LEU A 93 13.272 -22.133 13.441 1.00 13.33 O ATOM 1410 CB LEU A 93 13.056 -23.552 10.595 1.00 71.30 C ATOM 1411 CG LEU A 93 13.634 -24.184 9.328 1.00 52.30 C ATOM 1412 CD1 LEU A 93 13.448 -25.693 9.351 1.00 53.10 C ATOM 1413 CD2 LEU A 93 12.985 -23.583 8.089 1.00 22.32 C ATOM 0 H LEU A 93 15.275 -23.209 12.204 1.00 1.43 H new ATOM 0 HA LEU A 93 13.739 -21.534 10.304 1.00 32.12 H new ATOM 0 HB2 LEU A 93 13.083 -24.295 11.392 1.00 71.30 H new ATOM 0 HB3 LEU A 93 12.007 -23.316 10.414 1.00 71.30 H new ATOM 0 HG LEU A 93 14.703 -23.971 9.294 1.00 52.30 H new ATOM 0 HD11 LEU A 93 13.865 -26.125 8.441 1.00 53.10 H new ATOM 0 HD12 LEU A 93 13.960 -26.110 10.219 1.00 53.10 H new ATOM 0 HD13 LEU A 93 12.385 -25.928 9.410 1.00 53.10 H new ATOM 0 HD21 LEU A 93 13.408 -24.044 7.197 1.00 22.32 H new ATOM 0 HD22 LEU A 93 11.911 -23.765 8.117 1.00 22.32 H new ATOM 0 HD23 LEU A 93 13.171 -22.509 8.065 1.00 22.32 H new ATOM 1425 N LEU A 94 12.101 -20.798 12.059 1.00 61.55 N ATOM 1426 CA LEU A 94 11.324 -20.186 13.130 1.00 13.12 C ATOM 1427 C LEU A 94 9.829 -20.394 12.907 1.00 63.43 C ATOM 1428 O LEU A 94 9.196 -19.657 12.150 1.00 22.14 O ATOM 1429 CB LEU A 94 11.634 -18.691 13.221 1.00 14.33 C ATOM 1430 CG LEU A 94 12.782 -18.299 14.152 1.00 51.30 C ATOM 1431 CD1 LEU A 94 14.045 -18.019 13.353 1.00 50.23 C ATOM 1432 CD2 LEU A 94 12.399 -17.088 14.990 1.00 3.50 C ATOM 0 H LEU A 94 11.878 -20.451 11.126 1.00 61.55 H new ATOM 0 HA LEU A 94 11.603 -20.667 14.068 1.00 13.12 H new ATOM 0 HB2 LEU A 94 11.864 -18.326 12.220 1.00 14.33 H new ATOM 0 HB3 LEU A 94 10.733 -18.173 13.550 1.00 14.33 H new ATOM 0 HG LEU A 94 12.980 -19.133 14.825 1.00 51.30 H new ATOM 0 HD11 LEU A 94 14.851 -17.742 14.032 1.00 50.23 H new ATOM 0 HD12 LEU A 94 14.330 -18.913 12.798 1.00 50.23 H new ATOM 0 HD13 LEU A 94 13.861 -17.202 12.656 1.00 50.23 H new ATOM 0 HD21 LEU A 94 13.228 -16.823 15.647 1.00 3.50 H new ATOM 0 HD22 LEU A 94 12.173 -16.248 14.333 1.00 3.50 H new ATOM 0 HD23 LEU A 94 11.521 -17.324 15.591 1.00 3.50 H new ATOM 1444 N ILE A 95 9.272 -21.401 13.571 1.00 71.35 N ATOM 1445 CA ILE A 95 7.851 -21.704 13.447 1.00 65.04 C ATOM 1446 C ILE A 95 7.033 -20.931 14.475 1.00 31.00 C ATOM 1447 O ILE A 95 7.329 -20.960 15.669 1.00 61.13 O ATOM 1448 CB ILE A 95 7.580 -23.210 13.618 1.00 72.30 C ATOM 1449 CG1 ILE A 95 7.988 -23.971 12.355 1.00 25.31 C ATOM 1450 CG2 ILE A 95 6.112 -23.451 13.936 1.00 13.11 C ATOM 1451 CD1 ILE A 95 7.057 -23.744 11.185 1.00 64.13 C ATOM 0 H ILE A 95 9.782 -22.021 14.200 1.00 71.35 H new ATOM 0 HA ILE A 95 7.549 -21.401 12.444 1.00 65.04 H new ATOM 0 HB ILE A 95 8.178 -23.579 14.451 1.00 72.30 H new ATOM 0 HG12 ILE A 95 8.996 -23.671 12.070 1.00 25.31 H new ATOM 0 HG13 ILE A 95 8.024 -25.037 12.579 1.00 25.31 H new ATOM 0 HG21 ILE A 95 5.936 -24.520 14.054 1.00 13.11 H new ATOM 0 HG22 ILE A 95 5.851 -22.936 14.860 1.00 13.11 H new ATOM 0 HG23 ILE A 95 5.496 -23.070 13.122 1.00 13.11 H new ATOM 0 HD11 ILE A 95 7.408 -24.314 10.325 1.00 64.13 H new ATOM 0 HD12 ILE A 95 6.052 -24.071 11.451 1.00 64.13 H new ATOM 0 HD13 ILE A 95 7.039 -22.683 10.934 1.00 64.13 H new ATOM 1463 N GLY A 96 5.999 -20.241 14.003 1.00 42.40 N ATOM 1464 CA GLY A 96 5.152 -19.471 14.895 1.00 50.42 C ATOM 1465 C GLY A 96 3.696 -19.491 14.473 1.00 22.10 C ATOM 1466 O GLY A 96 3.388 -19.441 13.283 1.00 70.42 O ATOM 0 H GLY A 96 5.733 -20.202 13.019 1.00 42.40 H new ATOM 0 HA2 GLY A 96 5.239 -19.868 15.906 1.00 50.42 H new ATOM 0 HA3 GLY A 96 5.504 -18.440 14.925 1.00 50.42 H new ATOM 1470 N GLU A 97 2.799 -19.566 15.451 1.00 21.33 N ATOM 1471 CA GLU A 97 1.368 -19.596 15.174 1.00 71.02 C ATOM 1472 C GLU A 97 0.961 -18.421 14.289 1.00 33.21 C ATOM 1473 O GLU A 97 0.834 -17.291 14.759 1.00 62.14 O ATOM 1474 CB GLU A 97 0.572 -19.565 16.480 1.00 12.11 C ATOM 1475 CG GLU A 97 -0.845 -20.097 16.342 1.00 2.34 C ATOM 1476 CD GLU A 97 -1.789 -19.517 17.378 1.00 62.11 C ATOM 1477 OE1 GLU A 97 -1.310 -18.810 18.289 1.00 64.41 O ATOM 1478 OE2 GLU A 97 -3.008 -19.771 17.276 1.00 4.45 O ATOM 0 H GLU A 97 3.038 -19.607 16.442 1.00 21.33 H new ATOM 0 HA GLU A 97 1.146 -20.522 14.644 1.00 71.02 H new ATOM 0 HB2 GLU A 97 1.100 -20.152 17.231 1.00 12.11 H new ATOM 0 HB3 GLU A 97 0.532 -18.539 16.847 1.00 12.11 H new ATOM 0 HG2 GLU A 97 -1.220 -19.867 15.345 1.00 2.34 H new ATOM 0 HG3 GLU A 97 -0.832 -21.183 16.435 1.00 2.34 H new ATOM 1485 N GLY A 98 0.757 -18.698 13.004 1.00 4.35 N ATOM 1486 CA GLY A 98 0.368 -17.655 12.074 1.00 54.32 C ATOM 1487 C GLY A 98 -0.315 -18.206 10.838 1.00 53.11 C ATOM 1488 O GLY A 98 -0.258 -19.402 10.552 1.00 23.11 O ATOM 0 H GLY A 98 0.854 -19.626 12.592 1.00 4.35 H new ATOM 0 HA2 GLY A 98 -0.303 -16.957 12.575 1.00 54.32 H new ATOM 0 HA3 GLY A 98 1.251 -17.090 11.776 1.00 54.32 H new ATOM 1492 N PRO A 99 -0.982 -17.322 10.081 1.00 0.53 N ATOM 1493 CA PRO A 99 -1.693 -17.704 8.858 1.00 42.34 C ATOM 1494 C PRO A 99 -0.741 -18.097 7.733 1.00 50.51 C ATOM 1495 O PRO A 99 0.472 -17.916 7.842 1.00 4.14 O ATOM 1496 CB PRO A 99 -2.466 -16.436 8.486 1.00 42.13 C ATOM 1497 CG PRO A 99 -1.686 -15.324 9.097 1.00 3.31 C ATOM 1498 CD PRO A 99 -1.093 -15.880 10.362 1.00 64.21 C ATOM 0 HA PRO A 99 -2.328 -18.577 9.011 1.00 42.34 H new ATOM 0 HB2 PRO A 99 -2.540 -16.320 7.405 1.00 42.13 H new ATOM 0 HB3 PRO A 99 -3.484 -16.465 8.874 1.00 42.13 H new ATOM 0 HG2 PRO A 99 -0.906 -14.977 8.420 1.00 3.31 H new ATOM 0 HG3 PRO A 99 -2.327 -14.469 9.310 1.00 3.31 H new ATOM 0 HD2 PRO A 99 -0.121 -15.437 10.579 1.00 64.21 H new ATOM 0 HD3 PRO A 99 -1.731 -15.686 11.224 1.00 64.21 H new ATOM 1506 N CYS A 100 -1.298 -18.633 6.653 1.00 32.42 N ATOM 1507 CA CYS A 100 -0.498 -19.052 5.508 1.00 60.12 C ATOM 1508 C CYS A 100 -1.290 -18.915 4.212 1.00 73.02 C ATOM 1509 O CYS A 100 -2.458 -19.300 4.142 1.00 43.42 O ATOM 1510 CB CYS A 100 -0.033 -20.498 5.685 1.00 34.32 C ATOM 1511 SG CYS A 100 0.837 -21.175 4.252 1.00 32.21 S ATOM 0 H CYS A 100 -2.301 -18.788 6.546 1.00 32.42 H new ATOM 0 HA CYS A 100 0.375 -18.402 5.450 1.00 60.12 H new ATOM 0 HB2 CYS A 100 0.623 -20.554 6.554 1.00 34.32 H new ATOM 0 HB3 CYS A 100 -0.900 -21.123 5.899 1.00 34.32 H new ATOM 0 HG CYS A 100 1.192 -22.401 4.499 1.00 32.21 H new ATOM 1517 N VAL A 101 -0.648 -18.363 3.187 1.00 12.33 N ATOM 1518 CA VAL A 101 -1.293 -18.174 1.893 1.00 2.12 C ATOM 1519 C VAL A 101 -0.269 -18.176 0.764 1.00 61.33 C ATOM 1520 O VAL A 101 0.910 -17.880 0.960 1.00 12.42 O ATOM 1521 CB VAL A 101 -2.087 -16.855 1.849 1.00 42.12 C ATOM 1522 CG1 VAL A 101 -3.381 -16.984 2.637 1.00 54.02 C ATOM 1523 CG2 VAL A 101 -1.242 -15.707 2.380 1.00 41.21 C ATOM 0 H VAL A 101 0.318 -18.039 3.228 1.00 12.33 H new ATOM 0 HA VAL A 101 -1.981 -19.008 1.757 1.00 2.12 H new ATOM 0 HB VAL A 101 -2.342 -16.639 0.811 1.00 42.12 H new ATOM 0 HG11 VAL A 101 -3.928 -16.042 2.594 1.00 54.02 H new ATOM 0 HG12 VAL A 101 -3.991 -17.778 2.207 1.00 54.02 H new ATOM 0 HG13 VAL A 101 -3.152 -17.224 3.675 1.00 54.02 H new ATOM 0 HG21 VAL A 101 -1.819 -14.783 2.342 1.00 41.21 H new ATOM 0 HG22 VAL A 101 -0.955 -15.913 3.411 1.00 41.21 H new ATOM 0 HG23 VAL A 101 -0.346 -15.601 1.768 1.00 41.21 H new ATOM 1533 N PRO A 102 -0.727 -18.518 -0.450 1.00 31.54 N ATOM 1534 CA PRO A 102 0.133 -18.567 -1.636 1.00 13.21 C ATOM 1535 C PRO A 102 0.577 -17.179 -2.087 1.00 34.51 C ATOM 1536 O PRO A 102 0.047 -16.631 -3.052 1.00 51.23 O ATOM 1537 CB PRO A 102 -0.762 -19.213 -2.696 1.00 71.04 C ATOM 1538 CG PRO A 102 -2.152 -18.902 -2.260 1.00 51.31 C ATOM 1539 CD PRO A 102 -2.120 -18.884 -0.757 1.00 31.01 C ATOM 0 HA PRO A 102 1.057 -19.114 -1.448 1.00 13.21 H new ATOM 0 HB2 PRO A 102 -0.558 -18.807 -3.687 1.00 71.04 H new ATOM 0 HB3 PRO A 102 -0.596 -20.289 -2.752 1.00 71.04 H new ATOM 0 HG2 PRO A 102 -2.479 -17.940 -2.655 1.00 51.31 H new ATOM 0 HG3 PRO A 102 -2.853 -19.652 -2.627 1.00 51.31 H new ATOM 0 HD2 PRO A 102 -2.825 -18.160 -0.349 1.00 31.01 H new ATOM 0 HD3 PRO A 102 -2.382 -19.855 -0.338 1.00 31.01 H new ATOM 1547 N GLY A 103 1.553 -16.617 -1.382 1.00 4.05 N ATOM 1548 CA GLY A 103 2.052 -15.298 -1.725 1.00 61.23 C ATOM 1549 C GLY A 103 2.715 -14.605 -0.552 1.00 0.14 C ATOM 1550 O GLY A 103 3.579 -13.747 -0.736 1.00 14.02 O ATOM 0 H GLY A 103 2.008 -17.051 -0.579 1.00 4.05 H new ATOM 0 HA2 GLY A 103 2.767 -15.385 -2.543 1.00 61.23 H new ATOM 0 HA3 GLY A 103 1.227 -14.684 -2.087 1.00 61.23 H new ATOM 1554 N ASP A 104 2.310 -14.975 0.658 1.00 73.40 N ATOM 1555 CA ASP A 104 2.870 -14.383 1.867 1.00 51.41 C ATOM 1556 C ASP A 104 4.370 -14.644 1.956 1.00 61.34 C ATOM 1557 O ASP A 104 5.087 -13.961 2.686 1.00 42.34 O ATOM 1558 CB ASP A 104 2.168 -14.940 3.106 1.00 21.13 C ATOM 1559 CG ASP A 104 1.339 -13.892 3.823 1.00 70.44 C ATOM 1560 OD1 ASP A 104 1.744 -12.711 3.819 1.00 23.52 O ATOM 1561 OD2 ASP A 104 0.285 -14.254 4.387 1.00 1.45 O ATOM 0 H ASP A 104 1.595 -15.683 0.828 1.00 73.40 H new ATOM 0 HA ASP A 104 2.709 -13.306 1.822 1.00 51.41 H new ATOM 0 HB2 ASP A 104 1.525 -15.770 2.813 1.00 21.13 H new ATOM 0 HB3 ASP A 104 2.913 -15.341 3.793 1.00 21.13 H new ATOM 1566 N ALA A 105 4.837 -15.639 1.208 1.00 3.02 N ATOM 1567 CA ALA A 105 6.252 -15.990 1.202 1.00 71.32 C ATOM 1568 C ALA A 105 7.122 -14.762 0.956 1.00 34.03 C ATOM 1569 O ALA A 105 6.945 -14.052 -0.033 1.00 11.14 O ATOM 1570 CB ALA A 105 6.527 -17.053 0.148 1.00 31.34 C ATOM 0 H ALA A 105 4.256 -16.216 0.599 1.00 3.02 H new ATOM 0 HA ALA A 105 6.505 -16.391 2.183 1.00 71.32 H new ATOM 0 HB1 ALA A 105 7.587 -17.306 0.154 1.00 31.34 H new ATOM 0 HB2 ALA A 105 5.940 -17.945 0.369 1.00 31.34 H new ATOM 0 HB3 ALA A 105 6.251 -16.671 -0.835 1.00 31.34 H new ATOM 1576 N GLY A 106 8.062 -14.517 1.864 1.00 13.11 N ATOM 1577 CA GLY A 106 8.944 -13.373 1.728 1.00 63.01 C ATOM 1578 C GLY A 106 8.659 -12.295 2.755 1.00 63.30 C ATOM 1579 O GLY A 106 9.335 -11.268 2.791 1.00 51.23 O ATOM 0 H GLY A 106 8.228 -15.090 2.691 1.00 13.11 H new ATOM 0 HA2 GLY A 106 9.978 -13.702 1.829 1.00 63.01 H new ATOM 0 HA3 GLY A 106 8.839 -12.954 0.727 1.00 63.01 H new ATOM 1583 N GLY A 107 7.654 -12.529 3.593 1.00 75.13 N ATOM 1584 CA GLY A 107 7.297 -11.560 4.613 1.00 61.33 C ATOM 1585 C GLY A 107 8.414 -11.333 5.612 1.00 40.21 C ATOM 1586 O GLY A 107 8.783 -12.239 6.359 1.00 0.14 O ATOM 0 H GLY A 107 7.080 -13.372 3.584 1.00 75.13 H new ATOM 0 HA2 GLY A 107 7.041 -10.613 4.137 1.00 61.33 H new ATOM 0 HA3 GLY A 107 6.406 -11.903 5.140 1.00 61.33 H new ATOM 1590 N LYS A 108 8.956 -10.120 5.625 1.00 11.31 N ATOM 1591 CA LYS A 108 10.038 -9.775 6.539 1.00 1.53 C ATOM 1592 C LYS A 108 9.539 -9.725 7.980 1.00 54.34 C ATOM 1593 O LYS A 108 8.560 -9.042 8.285 1.00 51.22 O ATOM 1594 CB LYS A 108 10.649 -8.425 6.153 1.00 32.51 C ATOM 1595 CG LYS A 108 11.283 -8.417 4.773 1.00 74.52 C ATOM 1596 CD LYS A 108 12.659 -9.060 4.788 1.00 45.13 C ATOM 1597 CE LYS A 108 13.757 -8.022 4.969 1.00 33.33 C ATOM 1598 NZ LYS A 108 13.782 -7.040 3.851 1.00 53.25 N ATOM 0 H LYS A 108 8.663 -9.359 5.012 1.00 11.31 H new ATOM 0 HA LYS A 108 10.803 -10.548 6.464 1.00 1.53 H new ATOM 0 HB2 LYS A 108 9.873 -7.660 6.192 1.00 32.51 H new ATOM 0 HB3 LYS A 108 11.403 -8.152 6.892 1.00 32.51 H new ATOM 0 HG2 LYS A 108 10.639 -8.949 4.073 1.00 74.52 H new ATOM 0 HG3 LYS A 108 11.364 -7.391 4.415 1.00 74.52 H new ATOM 0 HD2 LYS A 108 12.711 -9.791 5.595 1.00 45.13 H new ATOM 0 HD3 LYS A 108 12.819 -9.602 3.856 1.00 45.13 H new ATOM 0 HE2 LYS A 108 13.607 -7.495 5.911 1.00 33.33 H new ATOM 0 HE3 LYS A 108 14.723 -8.523 5.034 1.00 33.33 H new ATOM 0 HZ1 LYS A 108 14.727 -6.611 3.786 1.00 53.25 H new ATOM 0 HZ2 LYS A 108 13.560 -7.525 2.958 1.00 53.25 H new ATOM 0 HZ3 LYS A 108 13.076 -6.297 4.026 1.00 53.25 H new ATOM 1612 N LEU A 109 10.217 -10.450 8.862 1.00 71.55 N ATOM 1613 CA LEU A 109 9.843 -10.488 10.271 1.00 13.31 C ATOM 1614 C LEU A 109 10.807 -9.658 11.113 1.00 51.45 C ATOM 1615 O LEU A 109 11.970 -10.024 11.286 1.00 41.10 O ATOM 1616 CB LEU A 109 9.821 -11.932 10.775 1.00 2.33 C ATOM 1617 CG LEU A 109 9.698 -12.112 12.289 1.00 70.53 C ATOM 1618 CD1 LEU A 109 8.261 -11.896 12.737 1.00 71.01 C ATOM 1619 CD2 LEU A 109 10.185 -13.493 12.702 1.00 24.43 C ATOM 0 H LEU A 109 11.029 -11.020 8.626 1.00 71.55 H new ATOM 0 HA LEU A 109 8.845 -10.061 10.368 1.00 13.31 H new ATOM 0 HB2 LEU A 109 8.988 -12.449 10.299 1.00 2.33 H new ATOM 0 HB3 LEU A 109 10.735 -12.426 10.443 1.00 2.33 H new ATOM 0 HG LEU A 109 10.325 -11.366 12.777 1.00 70.53 H new ATOM 0 HD11 LEU A 109 8.193 -12.028 13.817 1.00 71.01 H new ATOM 0 HD12 LEU A 109 7.946 -10.886 12.474 1.00 71.01 H new ATOM 0 HD13 LEU A 109 7.613 -12.619 12.241 1.00 71.01 H new ATOM 0 HD21 LEU A 109 10.091 -13.604 13.782 1.00 24.43 H new ATOM 0 HD22 LEU A 109 9.584 -14.254 12.205 1.00 24.43 H new ATOM 0 HD23 LEU A 109 11.230 -13.611 12.415 1.00 24.43 H new ATOM 1631 N LEU A 110 10.316 -8.539 11.635 1.00 73.32 N ATOM 1632 CA LEU A 110 11.133 -7.657 12.461 1.00 70.40 C ATOM 1633 C LEU A 110 10.951 -7.975 13.942 1.00 52.13 C ATOM 1634 O LEU A 110 9.864 -8.356 14.377 1.00 55.51 O ATOM 1635 CB LEU A 110 10.772 -6.195 12.193 1.00 74.40 C ATOM 1636 CG LEU A 110 11.372 -5.576 10.930 1.00 22.15 C ATOM 1637 CD1 LEU A 110 10.287 -5.304 9.901 1.00 75.11 C ATOM 1638 CD2 LEU A 110 12.122 -4.296 11.269 1.00 14.30 C ATOM 0 H LEU A 110 9.356 -8.221 11.501 1.00 73.32 H new ATOM 0 HA LEU A 110 12.178 -7.820 12.199 1.00 70.40 H new ATOM 0 HB2 LEU A 110 9.687 -6.115 12.132 1.00 74.40 H new ATOM 0 HB3 LEU A 110 11.088 -5.601 13.050 1.00 74.40 H new ATOM 0 HG LEU A 110 12.080 -6.286 10.501 1.00 22.15 H new ATOM 0 HD11 LEU A 110 10.733 -4.864 9.009 1.00 75.11 H new ATOM 0 HD12 LEU A 110 9.794 -6.239 9.636 1.00 75.11 H new ATOM 0 HD13 LEU A 110 9.554 -4.614 10.319 1.00 75.11 H new ATOM 0 HD21 LEU A 110 12.543 -3.869 10.359 1.00 14.30 H new ATOM 0 HD22 LEU A 110 11.435 -3.581 11.722 1.00 14.30 H new ATOM 0 HD23 LEU A 110 12.926 -4.520 11.970 1.00 14.30 H new ATOM 1650 N CYS A 111 12.021 -7.814 14.712 1.00 4.01 N ATOM 1651 CA CYS A 111 11.980 -8.081 16.145 1.00 65.43 C ATOM 1652 C CYS A 111 12.565 -6.913 16.933 1.00 13.31 C ATOM 1653 O CYS A 111 12.768 -5.826 16.392 1.00 13.53 O ATOM 1654 CB CYS A 111 12.750 -9.364 16.467 1.00 13.15 C ATOM 1655 SG CYS A 111 14.554 -9.140 16.579 1.00 62.51 S ATOM 0 H CYS A 111 12.928 -7.500 14.368 1.00 4.01 H new ATOM 0 HA CYS A 111 10.937 -8.207 16.437 1.00 65.43 H new ATOM 0 HB2 CYS A 111 12.385 -9.766 17.412 1.00 13.15 H new ATOM 0 HB3 CYS A 111 12.534 -10.107 15.699 1.00 13.15 H new ATOM 0 HG CYS A 111 15.046 -9.999 17.421 1.00 62.51 H new ATOM 1660 N ARG A 112 12.833 -7.145 18.214 1.00 73.32 N ATOM 1661 CA ARG A 112 13.393 -6.112 19.077 1.00 35.40 C ATOM 1662 C ARG A 112 14.233 -5.127 18.271 1.00 45.02 C ATOM 1663 O ARG A 112 14.043 -3.914 18.360 1.00 55.44 O ATOM 1664 CB ARG A 112 14.245 -6.745 20.178 1.00 22.14 C ATOM 1665 CG ARG A 112 13.453 -7.624 21.133 1.00 41.22 C ATOM 1666 CD ARG A 112 12.376 -6.831 21.856 1.00 1.43 C ATOM 1667 NE ARG A 112 12.274 -7.205 23.264 1.00 11.44 N ATOM 1668 CZ ARG A 112 11.329 -6.749 24.079 1.00 52.10 C ATOM 1669 NH1 ARG A 112 10.409 -5.907 23.628 1.00 61.24 N ATOM 1670 NH2 ARG A 112 11.302 -7.136 25.348 1.00 10.40 N ATOM 0 H ARG A 112 12.671 -8.039 18.677 1.00 73.32 H new ATOM 0 HA ARG A 112 12.567 -5.568 19.534 1.00 35.40 H new ATOM 0 HB2 ARG A 112 15.033 -7.341 19.718 1.00 22.14 H new ATOM 0 HB3 ARG A 112 14.734 -5.954 20.747 1.00 22.14 H new ATOM 0 HG2 ARG A 112 12.994 -8.443 20.579 1.00 41.22 H new ATOM 0 HG3 ARG A 112 14.128 -8.072 21.862 1.00 41.22 H new ATOM 0 HD2 ARG A 112 12.596 -5.766 21.779 1.00 1.43 H new ATOM 0 HD3 ARG A 112 11.416 -6.994 21.367 1.00 1.43 H new ATOM 0 HE ARG A 112 12.966 -7.852 23.642 1.00 11.44 H new ATOM 0 HH11 ARG A 112 10.426 -5.608 22.653 1.00 61.24 H new ATOM 0 HH12 ARG A 112 9.685 -5.559 24.256 1.00 61.24 H new ATOM 0 HH21 ARG A 112 12.007 -7.784 25.699 1.00 10.40 H new ATOM 0 HH22 ARG A 112 10.576 -6.785 25.973 1.00 10.40 H new ATOM 1684 N HIS A 113 15.165 -5.657 17.485 1.00 42.14 N ATOM 1685 CA HIS A 113 16.036 -4.824 16.662 1.00 33.13 C ATOM 1686 C HIS A 113 15.404 -4.559 15.299 1.00 42.40 C ATOM 1687 O HIS A 113 15.137 -3.413 14.940 1.00 13.33 O ATOM 1688 CB HIS A 113 17.398 -5.494 16.484 1.00 24.23 C ATOM 1689 CG HIS A 113 17.513 -6.813 17.184 1.00 23.25 C ATOM 1690 ND1 HIS A 113 17.660 -8.010 16.516 1.00 63.04 N ATOM 1691 CD2 HIS A 113 17.504 -7.119 18.503 1.00 71.41 C ATOM 1692 CE1 HIS A 113 17.735 -8.996 17.392 1.00 15.52 C ATOM 1693 NE2 HIS A 113 17.643 -8.482 18.606 1.00 53.35 N ATOM 0 H HIS A 113 15.337 -6.659 17.400 1.00 42.14 H new ATOM 0 HA HIS A 113 16.173 -3.870 17.171 1.00 33.13 H new ATOM 0 HB2 HIS A 113 17.586 -5.639 15.420 1.00 24.23 H new ATOM 0 HB3 HIS A 113 18.174 -4.825 16.857 1.00 24.23 H new ATOM 0 HD2 HIS A 113 17.406 -6.421 19.322 1.00 71.41 H new ATOM 0 HE1 HIS A 113 17.852 -10.043 17.156 1.00 15.52 H new ATOM 0 HE2 HIS A 113 17.671 -9.011 19.478 1.00 53.35 H new ATOM 1701 N GLY A 114 15.169 -5.627 14.543 1.00 43.34 N ATOM 1702 CA GLY A 114 14.572 -5.487 13.227 1.00 22.43 C ATOM 1703 C GLY A 114 14.407 -6.819 12.521 1.00 2.35 C ATOM 1704 O GLY A 114 14.255 -7.857 13.166 1.00 50.32 O ATOM 0 H GLY A 114 15.381 -6.586 14.818 1.00 43.34 H new ATOM 0 HA2 GLY A 114 13.598 -5.007 13.322 1.00 22.43 H new ATOM 0 HA3 GLY A 114 15.193 -4.831 12.618 1.00 22.43 H new ATOM 1708 N VAL A 115 14.436 -6.790 11.193 1.00 53.02 N ATOM 1709 CA VAL A 115 14.288 -8.004 10.399 1.00 55.45 C ATOM 1710 C VAL A 115 15.263 -9.082 10.856 1.00 33.42 C ATOM 1711 O VAL A 115 16.465 -8.840 10.966 1.00 61.35 O ATOM 1712 CB VAL A 115 14.513 -7.725 8.901 1.00 62.14 C ATOM 1713 CG1 VAL A 115 14.368 -9.005 8.091 1.00 13.15 C ATOM 1714 CG2 VAL A 115 13.547 -6.659 8.406 1.00 62.11 C ATOM 0 H VAL A 115 14.561 -5.939 10.644 1.00 53.02 H new ATOM 0 HA VAL A 115 13.267 -8.356 10.546 1.00 55.45 H new ATOM 0 HB VAL A 115 15.529 -7.352 8.768 1.00 62.14 H new ATOM 0 HG11 VAL A 115 14.530 -8.788 7.035 1.00 13.15 H new ATOM 0 HG12 VAL A 115 15.104 -9.735 8.429 1.00 13.15 H new ATOM 0 HG13 VAL A 115 13.366 -9.411 8.228 1.00 13.15 H new ATOM 0 HG21 VAL A 115 13.720 -6.475 7.346 1.00 62.11 H new ATOM 0 HG22 VAL A 115 12.522 -7.001 8.552 1.00 62.11 H new ATOM 0 HG23 VAL A 115 13.705 -5.737 8.965 1.00 62.11 H new ATOM 1724 N ILE A 116 14.737 -10.273 11.122 1.00 72.42 N ATOM 1725 CA ILE A 116 15.561 -11.390 11.566 1.00 25.11 C ATOM 1726 C ILE A 116 15.272 -12.646 10.751 1.00 42.34 C ATOM 1727 O ILE A 116 15.849 -13.704 10.996 1.00 73.51 O ATOM 1728 CB ILE A 116 15.336 -11.698 13.058 1.00 2.43 C ATOM 1729 CG1 ILE A 116 13.839 -11.744 13.372 1.00 42.34 C ATOM 1730 CG2 ILE A 116 16.032 -10.658 13.924 1.00 23.22 C ATOM 1731 CD1 ILE A 116 13.526 -12.289 14.747 1.00 23.04 C ATOM 0 H ILE A 116 13.744 -10.489 11.038 1.00 72.42 H new ATOM 0 HA ILE A 116 16.599 -11.094 11.417 1.00 25.11 H new ATOM 0 HB ILE A 116 15.765 -12.675 13.281 1.00 2.43 H new ATOM 0 HG12 ILE A 116 13.427 -10.738 13.286 1.00 42.34 H new ATOM 0 HG13 ILE A 116 13.338 -12.358 12.624 1.00 42.34 H new ATOM 0 HG21 ILE A 116 15.864 -10.889 14.976 1.00 23.22 H new ATOM 0 HG22 ILE A 116 17.102 -10.669 13.717 1.00 23.22 H new ATOM 0 HG23 ILE A 116 15.629 -9.670 13.701 1.00 23.22 H new ATOM 0 HD11 ILE A 116 12.447 -12.292 14.900 1.00 23.04 H new ATOM 0 HD12 ILE A 116 13.907 -13.307 14.830 1.00 23.04 H new ATOM 0 HD13 ILE A 116 13.998 -11.662 15.503 1.00 23.04 H new ATOM 1743 N GLY A 117 14.375 -12.519 9.777 1.00 24.10 N ATOM 1744 CA GLY A 117 14.026 -13.651 8.938 1.00 2.24 C ATOM 1745 C GLY A 117 12.738 -13.428 8.171 1.00 32.44 C ATOM 1746 O GLY A 117 11.932 -12.571 8.534 1.00 10.13 O ATOM 0 H GLY A 117 13.884 -11.653 9.554 1.00 24.10 H new ATOM 0 HA2 GLY A 117 14.836 -13.841 8.234 1.00 2.24 H new ATOM 0 HA3 GLY A 117 13.927 -14.542 9.558 1.00 2.24 H new ATOM 1750 N ILE A 118 12.543 -14.201 7.108 1.00 45.42 N ATOM 1751 CA ILE A 118 11.344 -14.083 6.288 1.00 42.12 C ATOM 1752 C ILE A 118 10.595 -15.409 6.215 1.00 22.25 C ATOM 1753 O ILE A 118 11.102 -16.444 6.650 1.00 31.00 O ATOM 1754 CB ILE A 118 11.683 -13.619 4.859 1.00 54.22 C ATOM 1755 CG1 ILE A 118 12.634 -14.612 4.188 1.00 1.15 C ATOM 1756 CG2 ILE A 118 12.294 -12.226 4.885 1.00 24.11 C ATOM 1757 CD1 ILE A 118 11.924 -15.729 3.456 1.00 50.20 C ATOM 0 H ILE A 118 13.200 -14.916 6.795 1.00 45.42 H new ATOM 0 HA ILE A 118 10.709 -13.335 6.763 1.00 42.12 H new ATOM 0 HB ILE A 118 10.762 -13.579 4.278 1.00 54.22 H new ATOM 0 HG12 ILE A 118 13.270 -14.075 3.485 1.00 1.15 H new ATOM 0 HG13 ILE A 118 13.289 -15.043 4.945 1.00 1.15 H new ATOM 0 HG21 ILE A 118 12.528 -11.912 3.868 1.00 24.11 H new ATOM 0 HG22 ILE A 118 11.585 -11.526 5.327 1.00 24.11 H new ATOM 0 HG23 ILE A 118 13.208 -12.240 5.479 1.00 24.11 H new ATOM 0 HD11 ILE A 118 12.660 -16.394 3.005 1.00 50.20 H new ATOM 0 HD12 ILE A 118 11.309 -16.291 4.159 1.00 50.20 H new ATOM 0 HD13 ILE A 118 11.290 -15.308 2.676 1.00 50.20 H new ATOM 1769 N ILE A 119 9.388 -15.371 5.663 1.00 73.15 N ATOM 1770 CA ILE A 119 8.570 -16.571 5.531 1.00 43.35 C ATOM 1771 C ILE A 119 9.207 -17.566 4.567 1.00 72.32 C ATOM 1772 O ILE A 119 9.410 -17.266 3.390 1.00 75.23 O ATOM 1773 CB ILE A 119 7.150 -16.233 5.038 1.00 24.15 C ATOM 1774 CG1 ILE A 119 6.631 -14.974 5.736 1.00 21.55 C ATOM 1775 CG2 ILE A 119 6.213 -17.406 5.282 1.00 14.14 C ATOM 1776 CD1 ILE A 119 5.163 -14.708 5.488 1.00 11.01 C ATOM 0 H ILE A 119 8.954 -14.523 5.300 1.00 73.15 H new ATOM 0 HA ILE A 119 8.504 -17.019 6.522 1.00 43.35 H new ATOM 0 HB ILE A 119 7.188 -16.041 3.966 1.00 24.15 H new ATOM 0 HG12 ILE A 119 6.799 -15.068 6.809 1.00 21.55 H new ATOM 0 HG13 ILE A 119 7.210 -14.115 5.397 1.00 21.55 H new ATOM 0 HG21 ILE A 119 5.213 -17.153 4.929 1.00 14.14 H new ATOM 0 HG22 ILE A 119 6.577 -18.281 4.744 1.00 14.14 H new ATOM 0 HG23 ILE A 119 6.176 -17.626 6.349 1.00 14.14 H new ATOM 0 HD11 ILE A 119 4.864 -13.801 6.013 1.00 11.01 H new ATOM 0 HD12 ILE A 119 4.992 -14.582 4.419 1.00 11.01 H new ATOM 0 HD13 ILE A 119 4.574 -15.549 5.853 1.00 11.01 H new ATOM 1788 N THR A 120 9.519 -18.755 5.073 1.00 23.14 N ATOM 1789 CA THR A 120 10.132 -19.796 4.258 1.00 21.22 C ATOM 1790 C THR A 120 9.127 -20.890 3.916 1.00 54.54 C ATOM 1791 O THR A 120 9.176 -21.474 2.834 1.00 20.51 O ATOM 1792 CB THR A 120 11.340 -20.431 4.973 1.00 61.13 C ATOM 1793 OG1 THR A 120 11.965 -21.394 4.116 1.00 4.55 O ATOM 1794 CG2 THR A 120 10.911 -21.101 6.269 1.00 21.22 C ATOM 0 H THR A 120 9.357 -19.021 6.044 1.00 23.14 H new ATOM 0 HA THR A 120 10.472 -19.318 3.339 1.00 21.22 H new ATOM 0 HB THR A 120 12.051 -19.640 5.210 1.00 61.13 H new ATOM 0 HG1 THR A 120 12.733 -21.792 4.577 1.00 4.55 H new ATOM 0 HG21 THR A 120 11.781 -21.542 6.756 1.00 21.22 H new ATOM 0 HG22 THR A 120 10.462 -20.360 6.930 1.00 21.22 H new ATOM 0 HG23 THR A 120 10.182 -21.882 6.051 1.00 21.22 H new ATOM 1802 N ALA A 121 8.215 -21.160 4.844 1.00 75.04 N ATOM 1803 CA ALA A 121 7.195 -22.182 4.638 1.00 3.40 C ATOM 1804 C ALA A 121 6.148 -22.143 5.746 1.00 40.13 C ATOM 1805 O ALA A 121 6.141 -21.235 6.576 1.00 43.35 O ATOM 1806 CB ALA A 121 7.837 -23.559 4.563 1.00 34.32 C ATOM 0 H ALA A 121 8.161 -20.686 5.745 1.00 75.04 H new ATOM 0 HA ALA A 121 6.693 -21.975 3.693 1.00 3.40 H new ATOM 0 HB1 ALA A 121 7.065 -24.313 4.409 1.00 34.32 H new ATOM 0 HB2 ALA A 121 8.542 -23.587 3.732 1.00 34.32 H new ATOM 0 HB3 ALA A 121 8.365 -23.765 5.494 1.00 34.32 H new ATOM 1812 N GLY A 122 5.263 -23.135 5.752 1.00 32.11 N ATOM 1813 CA GLY A 122 4.222 -23.195 6.762 1.00 5.42 C ATOM 1814 C GLY A 122 3.762 -24.612 7.037 1.00 31.23 C ATOM 1815 O GLY A 122 4.161 -25.548 6.345 1.00 5.43 O ATOM 0 H GLY A 122 5.248 -23.898 5.076 1.00 32.11 H new ATOM 0 HA2 GLY A 122 4.591 -22.750 7.686 1.00 5.42 H new ATOM 0 HA3 GLY A 122 3.371 -22.596 6.438 1.00 5.42 H new ATOM 1819 N GLY A 123 2.919 -24.773 8.053 1.00 1.42 N ATOM 1820 CA GLY A 123 2.419 -26.090 8.402 1.00 42.34 C ATOM 1821 C GLY A 123 1.007 -26.047 8.950 1.00 74.53 C ATOM 1822 O GLY A 123 0.697 -26.712 9.939 1.00 42.21 O ATOM 0 H GLY A 123 2.573 -24.014 8.641 1.00 1.42 H new ATOM 0 HA2 GLY A 123 2.444 -26.730 7.520 1.00 42.34 H new ATOM 0 HA3 GLY A 123 3.079 -26.542 9.142 1.00 42.34 H new ATOM 1826 N ASP A 124 0.148 -25.264 8.307 1.00 12.43 N ATOM 1827 CA ASP A 124 -1.240 -25.136 8.737 1.00 70.54 C ATOM 1828 C ASP A 124 -1.320 -24.643 10.178 1.00 61.30 C ATOM 1829 O ASP A 124 -1.170 -25.420 11.120 1.00 65.21 O ATOM 1830 CB ASP A 124 -1.963 -26.478 8.603 1.00 44.13 C ATOM 1831 CG ASP A 124 -2.352 -26.785 7.170 1.00 31.21 C ATOM 1832 OD1 ASP A 124 -1.612 -26.373 6.253 1.00 2.10 O ATOM 1833 OD2 ASP A 124 -3.398 -27.437 6.966 1.00 23.20 O ATOM 0 H ASP A 124 0.388 -24.708 7.486 1.00 12.43 H new ATOM 0 HA ASP A 124 -1.727 -24.403 8.094 1.00 70.54 H new ATOM 0 HB2 ASP A 124 -1.320 -27.273 8.980 1.00 44.13 H new ATOM 0 HB3 ASP A 124 -2.858 -26.469 9.225 1.00 44.13 H new ATOM 1838 N GLY A 125 -1.557 -23.345 10.342 1.00 61.21 N ATOM 1839 CA GLY A 125 -1.651 -22.770 11.671 1.00 32.31 C ATOM 1840 C GLY A 125 -0.302 -22.347 12.217 1.00 41.13 C ATOM 1841 O GLY A 125 -0.225 -21.644 13.225 1.00 44.11 O ATOM 0 H GLY A 125 -1.686 -22.681 9.578 1.00 61.21 H new ATOM 0 HA2 GLY A 125 -2.315 -21.906 11.644 1.00 32.31 H new ATOM 0 HA3 GLY A 125 -2.101 -23.497 12.347 1.00 32.31 H new ATOM 1845 N HIS A 126 0.765 -22.776 11.551 1.00 63.51 N ATOM 1846 CA HIS A 126 2.119 -22.438 11.976 1.00 30.20 C ATOM 1847 C HIS A 126 2.971 -22.008 10.786 1.00 72.04 C ATOM 1848 O HIS A 126 3.182 -22.779 9.849 1.00 21.14 O ATOM 1849 CB HIS A 126 2.769 -23.631 12.678 1.00 14.24 C ATOM 1850 CG HIS A 126 2.566 -23.635 14.162 1.00 21.04 C ATOM 1851 ND1 HIS A 126 3.173 -22.730 15.007 1.00 11.14 N ATOM 1852 CD2 HIS A 126 1.817 -24.440 14.951 1.00 21.44 C ATOM 1853 CE1 HIS A 126 2.807 -22.979 16.252 1.00 23.41 C ATOM 1854 NE2 HIS A 126 1.984 -24.012 16.245 1.00 22.45 N ATOM 0 H HIS A 126 0.719 -23.358 10.715 1.00 63.51 H new ATOM 0 HA HIS A 126 2.056 -21.604 12.675 1.00 30.20 H new ATOM 0 HB2 HIS A 126 2.363 -24.553 12.261 1.00 14.24 H new ATOM 0 HB3 HIS A 126 3.838 -23.629 12.466 1.00 14.24 H new ATOM 0 HD2 HIS A 126 1.202 -25.265 14.624 1.00 21.44 H new ATOM 0 HE1 HIS A 126 3.126 -22.431 17.126 1.00 23.41 H new ATOM 0 HE2 HIS A 126 1.544 -24.425 17.067 1.00 22.45 H new ATOM 1862 N VAL A 127 3.457 -20.772 10.828 1.00 51.51 N ATOM 1863 CA VAL A 127 4.286 -20.239 9.753 1.00 11.22 C ATOM 1864 C VAL A 127 5.763 -20.281 10.126 1.00 24.14 C ATOM 1865 O VAL A 127 6.159 -19.804 11.189 1.00 25.04 O ATOM 1866 CB VAL A 127 3.896 -18.789 9.410 1.00 53.05 C ATOM 1867 CG1 VAL A 127 3.846 -17.937 10.668 1.00 10.53 C ATOM 1868 CG2 VAL A 127 4.867 -18.202 8.396 1.00 30.24 C ATOM 0 H VAL A 127 3.291 -20.120 11.595 1.00 51.51 H new ATOM 0 HA VAL A 127 4.116 -20.869 8.880 1.00 11.22 H new ATOM 0 HB VAL A 127 2.901 -18.795 8.965 1.00 53.05 H new ATOM 0 HG11 VAL A 127 3.569 -16.916 10.405 1.00 10.53 H new ATOM 0 HG12 VAL A 127 3.108 -18.348 11.356 1.00 10.53 H new ATOM 0 HG13 VAL A 127 4.826 -17.935 11.146 1.00 10.53 H new ATOM 0 HG21 VAL A 127 4.576 -17.177 8.165 1.00 30.24 H new ATOM 0 HG22 VAL A 127 5.875 -18.209 8.811 1.00 30.24 H new ATOM 0 HG23 VAL A 127 4.846 -18.799 7.484 1.00 30.24 H new ATOM 1878 N ALA A 128 6.575 -20.855 9.244 1.00 33.10 N ATOM 1879 CA ALA A 128 8.010 -20.958 9.479 1.00 15.54 C ATOM 1880 C ALA A 128 8.740 -19.724 8.961 1.00 3.41 C ATOM 1881 O ALA A 128 8.251 -19.028 8.070 1.00 21.53 O ATOM 1882 CB ALA A 128 8.563 -22.215 8.825 1.00 2.23 C ATOM 0 H ALA A 128 6.263 -21.256 8.360 1.00 33.10 H new ATOM 0 HA ALA A 128 8.174 -21.020 10.555 1.00 15.54 H new ATOM 0 HB1 ALA A 128 9.636 -22.279 9.009 1.00 2.23 H new ATOM 0 HB2 ALA A 128 8.070 -23.091 9.246 1.00 2.23 H new ATOM 0 HB3 ALA A 128 8.380 -22.177 7.751 1.00 2.23 H new ATOM 1888 N PHE A 129 9.914 -19.456 9.525 1.00 73.34 N ATOM 1889 CA PHE A 129 10.711 -18.304 9.120 1.00 24.43 C ATOM 1890 C PHE A 129 12.191 -18.668 9.042 1.00 23.14 C ATOM 1891 O PHE A 129 12.754 -19.237 9.979 1.00 55.21 O ATOM 1892 CB PHE A 129 10.510 -17.148 10.102 1.00 52.14 C ATOM 1893 CG PHE A 129 9.260 -16.355 9.845 1.00 32.44 C ATOM 1894 CD1 PHE A 129 8.035 -16.794 10.323 1.00 25.10 C ATOM 1895 CD2 PHE A 129 9.309 -15.172 9.126 1.00 3.05 C ATOM 1896 CE1 PHE A 129 6.883 -16.067 10.089 1.00 23.04 C ATOM 1897 CE2 PHE A 129 8.161 -14.441 8.890 1.00 13.51 C ATOM 1898 CZ PHE A 129 6.946 -14.889 9.371 1.00 21.21 C ATOM 0 H PHE A 129 10.334 -20.021 10.263 1.00 73.34 H new ATOM 0 HA PHE A 129 10.378 -17.993 8.130 1.00 24.43 H new ATOM 0 HB2 PHE A 129 10.477 -17.545 11.117 1.00 52.14 H new ATOM 0 HB3 PHE A 129 11.371 -16.482 10.048 1.00 52.14 H new ATOM 0 HD1 PHE A 129 7.980 -17.715 10.885 1.00 25.10 H new ATOM 0 HD2 PHE A 129 10.255 -14.817 8.746 1.00 3.05 H new ATOM 0 HE1 PHE A 129 5.935 -16.420 10.467 1.00 23.04 H new ATOM 0 HE2 PHE A 129 8.213 -13.519 8.329 1.00 13.51 H new ATOM 0 HZ PHE A 129 6.047 -14.319 9.186 1.00 21.21 H new ATOM 1908 N THR A 130 12.818 -18.336 7.918 1.00 72.23 N ATOM 1909 CA THR A 130 14.231 -18.629 7.715 1.00 1.52 C ATOM 1910 C THR A 130 15.111 -17.653 8.489 1.00 73.11 C ATOM 1911 O THR A 130 14.972 -16.437 8.355 1.00 31.13 O ATOM 1912 CB THR A 130 14.609 -18.570 6.223 1.00 13.00 C ATOM 1913 OG1 THR A 130 15.960 -19.007 6.042 1.00 22.32 O ATOM 1914 CG2 THR A 130 14.450 -17.158 5.680 1.00 43.13 C ATOM 0 H THR A 130 12.369 -17.863 7.134 1.00 72.23 H new ATOM 0 HA THR A 130 14.400 -19.640 8.085 1.00 1.52 H new ATOM 0 HB THR A 130 13.938 -19.231 5.675 1.00 13.00 H new ATOM 0 HG1 THR A 130 16.504 -18.261 5.714 1.00 22.32 H new ATOM 0 HG21 THR A 130 14.723 -17.141 4.625 1.00 43.13 H new ATOM 0 HG22 THR A 130 13.414 -16.840 5.792 1.00 43.13 H new ATOM 0 HG23 THR A 130 15.100 -16.480 6.233 1.00 43.13 H new ATOM 1922 N ASP A 131 16.016 -18.193 9.297 1.00 32.33 N ATOM 1923 CA ASP A 131 16.920 -17.370 10.092 1.00 40.14 C ATOM 1924 C ASP A 131 17.892 -16.610 9.195 1.00 40.33 C ATOM 1925 O ASP A 131 18.882 -17.168 8.720 1.00 72.32 O ATOM 1926 CB ASP A 131 17.695 -18.238 11.084 1.00 10.34 C ATOM 1927 CG ASP A 131 17.741 -17.629 12.472 1.00 20.33 C ATOM 1928 OD1 ASP A 131 17.744 -16.384 12.575 1.00 34.50 O ATOM 1929 OD2 ASP A 131 17.774 -18.398 13.456 1.00 54.13 O ATOM 0 H ASP A 131 16.143 -19.198 9.419 1.00 32.33 H new ATOM 0 HA ASP A 131 16.321 -16.646 10.645 1.00 40.14 H new ATOM 0 HB2 ASP A 131 17.233 -19.224 11.138 1.00 10.34 H new ATOM 0 HB3 ASP A 131 18.712 -18.382 10.719 1.00 10.34 H new ATOM 1934 N LEU A 132 17.603 -15.333 8.966 1.00 60.51 N ATOM 1935 CA LEU A 132 18.451 -14.496 8.125 1.00 50.13 C ATOM 1936 C LEU A 132 19.652 -13.976 8.908 1.00 31.14 C ATOM 1937 O LEU A 132 20.564 -13.375 8.340 1.00 73.21 O ATOM 1938 CB LEU A 132 17.646 -13.322 7.564 1.00 4.11 C ATOM 1939 CG LEU A 132 18.299 -12.547 6.419 1.00 3.52 C ATOM 1940 CD1 LEU A 132 18.209 -13.334 5.121 1.00 32.14 C ATOM 1941 CD2 LEU A 132 17.649 -11.180 6.262 1.00 4.51 C ATOM 0 H LEU A 132 16.788 -14.855 9.351 1.00 60.51 H new ATOM 0 HA LEU A 132 18.816 -15.106 7.299 1.00 50.13 H new ATOM 0 HB2 LEU A 132 16.684 -13.699 7.218 1.00 4.11 H new ATOM 0 HB3 LEU A 132 17.442 -12.626 8.377 1.00 4.11 H new ATOM 0 HG LEU A 132 19.352 -12.402 6.659 1.00 3.52 H new ATOM 0 HD11 LEU A 132 18.679 -12.766 4.318 1.00 32.14 H new ATOM 0 HD12 LEU A 132 18.721 -14.289 5.238 1.00 32.14 H new ATOM 0 HD13 LEU A 132 17.162 -13.512 4.875 1.00 32.14 H new ATOM 0 HD21 LEU A 132 18.126 -10.642 5.443 1.00 4.51 H new ATOM 0 HD22 LEU A 132 16.588 -11.304 6.045 1.00 4.51 H new ATOM 0 HD23 LEU A 132 17.767 -10.613 7.185 1.00 4.51 H new ATOM 1953 N ARG A 133 19.646 -14.213 10.216 1.00 21.21 N ATOM 1954 CA ARG A 133 20.735 -13.770 11.078 1.00 44.13 C ATOM 1955 C ARG A 133 22.057 -14.404 10.654 1.00 72.25 C ATOM 1956 O ARG A 133 23.028 -13.719 10.333 1.00 40.20 O ATOM 1957 CB ARG A 133 20.435 -14.119 12.536 1.00 33.24 C ATOM 1958 CG ARG A 133 21.676 -14.430 13.357 1.00 41.04 C ATOM 1959 CD ARG A 133 21.369 -14.451 14.846 1.00 71.22 C ATOM 1960 NE ARG A 133 21.606 -15.766 15.435 1.00 70.31 N ATOM 1961 CZ ARG A 133 20.739 -16.770 15.365 1.00 72.13 C ATOM 1962 NH1 ARG A 133 19.584 -16.610 14.734 1.00 52.23 N ATOM 1963 NH2 ARG A 133 21.027 -17.938 15.926 1.00 54.41 N ATOM 0 H ARG A 133 18.899 -14.709 10.702 1.00 21.21 H new ATOM 0 HA ARG A 133 20.823 -12.688 10.981 1.00 44.13 H new ATOM 0 HB2 ARG A 133 19.904 -13.287 12.998 1.00 33.24 H new ATOM 0 HB3 ARG A 133 19.766 -14.979 12.564 1.00 33.24 H new ATOM 0 HG2 ARG A 133 22.081 -15.396 13.054 1.00 41.04 H new ATOM 0 HG3 ARG A 133 22.444 -13.684 13.153 1.00 41.04 H new ATOM 0 HD2 ARG A 133 21.986 -13.710 15.354 1.00 71.22 H new ATOM 0 HD3 ARG A 133 20.330 -14.164 15.006 1.00 71.22 H new ATOM 0 HE ARG A 133 22.486 -15.922 15.927 1.00 70.31 H new ATOM 0 HH11 ARG A 133 19.359 -15.714 14.301 1.00 52.23 H new ATOM 0 HH12 ARG A 133 18.920 -17.383 14.682 1.00 52.23 H new ATOM 0 HH21 ARG A 133 21.915 -18.065 16.412 1.00 54.41 H new ATOM 0 HH22 ARG A 133 20.360 -18.708 15.872 1.00 54.41 H new ATOM 1977 N PRO A 134 22.096 -15.745 10.652 1.00 42.14 N ATOM 1978 CA PRO A 134 23.292 -16.501 10.269 1.00 23.21 C ATOM 1979 C PRO A 134 23.595 -16.393 8.779 1.00 52.55 C ATOM 1980 O PRO A 134 24.642 -16.843 8.313 1.00 31.33 O ATOM 1981 CB PRO A 134 22.934 -17.943 10.638 1.00 14.22 C ATOM 1982 CG PRO A 134 21.445 -17.987 10.589 1.00 23.22 C ATOM 1983 CD PRO A 134 20.976 -16.626 11.022 1.00 11.21 C ATOM 0 HA PRO A 134 24.186 -16.128 10.768 1.00 23.21 H new ATOM 0 HB2 PRO A 134 23.374 -18.652 9.937 1.00 14.22 H new ATOM 0 HB3 PRO A 134 23.306 -18.202 11.629 1.00 14.22 H new ATOM 0 HG2 PRO A 134 21.094 -18.219 9.583 1.00 23.22 H new ATOM 0 HG3 PRO A 134 21.056 -18.762 11.249 1.00 23.22 H new ATOM 0 HD2 PRO A 134 20.055 -16.339 10.516 1.00 11.21 H new ATOM 0 HD3 PRO A 134 20.775 -16.592 12.093 1.00 11.21 H new ATOM 1991 N TYR A 135 22.673 -15.792 8.035 1.00 54.21 N ATOM 1992 CA TYR A 135 22.840 -15.626 6.596 1.00 42.30 C ATOM 1993 C TYR A 135 23.662 -14.379 6.284 1.00 63.15 C ATOM 1994 O TYR A 135 23.867 -14.032 5.121 1.00 20.41 O ATOM 1995 CB TYR A 135 21.476 -15.536 5.909 1.00 23.25 C ATOM 1996 CG TYR A 135 21.001 -16.851 5.334 1.00 54.10 C ATOM 1997 CD1 TYR A 135 21.780 -17.556 4.425 1.00 31.32 C ATOM 1998 CD2 TYR A 135 19.772 -17.387 5.698 1.00 73.31 C ATOM 1999 CE1 TYR A 135 21.349 -18.758 3.896 1.00 2.31 C ATOM 2000 CE2 TYR A 135 19.334 -18.589 5.175 1.00 13.41 C ATOM 2001 CZ TYR A 135 20.126 -19.270 4.275 1.00 53.25 C ATOM 2002 OH TYR A 135 19.692 -20.466 3.750 1.00 23.14 O ATOM 0 H TYR A 135 21.802 -15.412 8.405 1.00 54.21 H new ATOM 0 HA TYR A 135 23.374 -16.497 6.215 1.00 42.30 H new ATOM 0 HB2 TYR A 135 20.740 -15.176 6.627 1.00 23.25 H new ATOM 0 HB3 TYR A 135 21.529 -14.797 5.109 1.00 23.25 H new ATOM 0 HD1 TYR A 135 22.739 -17.158 4.127 1.00 31.32 H new ATOM 0 HD2 TYR A 135 19.148 -16.855 6.402 1.00 73.31 H new ATOM 0 HE1 TYR A 135 21.967 -19.293 3.190 1.00 2.31 H new ATOM 0 HE2 TYR A 135 18.377 -18.993 5.470 1.00 13.41 H new ATOM 0 HH TYR A 135 19.415 -21.061 4.478 1.00 23.14 H new ATOM 2012 N ASN A 136 24.131 -13.710 7.332 1.00 44.45 N ATOM 2013 CA ASN A 136 24.932 -12.501 7.171 1.00 74.04 C ATOM 2014 C ASN A 136 26.244 -12.611 7.940 1.00 23.33 C ATOM 2015 O ASN A 136 26.605 -13.686 8.420 1.00 24.24 O ATOM 2016 CB ASN A 136 24.148 -11.278 7.650 1.00 53.31 C ATOM 2017 CG ASN A 136 24.405 -10.054 6.792 1.00 12.22 C ATOM 2018 OD1 ASN A 136 24.492 -10.147 5.568 1.00 60.43 O ATOM 2019 ND2 ASN A 136 24.528 -8.897 7.433 1.00 33.43 N ATOM 0 H ASN A 136 23.971 -13.984 8.301 1.00 44.45 H new ATOM 0 HA ASN A 136 25.161 -12.386 6.112 1.00 74.04 H new ATOM 0 HB2 ASN A 136 23.082 -11.507 7.642 1.00 53.31 H new ATOM 0 HB3 ASN A 136 24.419 -11.058 8.683 1.00 53.31 H new ATOM 0 HD21 ASN A 136 24.702 -8.039 6.909 1.00 33.43 H new ATOM 0 HD22 ASN A 136 24.449 -8.866 8.449 1.00 33.43 H new ATOM 2026 N ILE A 137 26.953 -11.493 8.054 1.00 71.12 N ATOM 2027 CA ILE A 137 28.224 -11.464 8.766 1.00 1.14 C ATOM 2028 C ILE A 137 28.011 -11.261 10.263 1.00 41.34 C ATOM 2029 O ILE A 137 28.394 -10.233 10.822 1.00 52.32 O ATOM 2030 CB ILE A 137 29.143 -10.348 8.234 1.00 75.21 C ATOM 2031 CG1 ILE A 137 29.240 -10.422 6.709 1.00 73.23 C ATOM 2032 CG2 ILE A 137 30.523 -10.453 8.864 1.00 64.12 C ATOM 2033 CD1 ILE A 137 29.779 -11.741 6.201 1.00 61.11 C ATOM 0 H ILE A 137 26.668 -10.595 7.662 1.00 71.12 H new ATOM 0 HA ILE A 137 28.702 -12.429 8.596 1.00 1.14 H new ATOM 0 HB ILE A 137 28.714 -9.383 8.506 1.00 75.21 H new ATOM 0 HG12 ILE A 137 28.251 -10.254 6.282 1.00 73.23 H new ATOM 0 HG13 ILE A 137 29.882 -9.616 6.354 1.00 73.23 H new ATOM 0 HG21 ILE A 137 31.161 -9.658 8.478 1.00 64.12 H new ATOM 0 HG22 ILE A 137 30.437 -10.356 9.946 1.00 64.12 H new ATOM 0 HG23 ILE A 137 30.962 -11.420 8.620 1.00 64.12 H new ATOM 0 HD11 ILE A 137 29.820 -11.722 5.112 1.00 61.11 H new ATOM 0 HD12 ILE A 137 30.781 -11.902 6.599 1.00 61.11 H new ATOM 0 HD13 ILE A 137 29.125 -12.550 6.525 1.00 61.11 H new ATOM 2045 N LYS A 138 27.399 -12.248 10.907 1.00 21.40 N ATOM 2046 CA LYS A 138 27.137 -12.181 12.340 1.00 60.32 C ATOM 2047 C LYS A 138 28.409 -11.841 13.110 1.00 12.31 C ATOM 2048 O LYS A 138 28.358 -11.189 14.153 1.00 63.03 O ATOM 2049 CB LYS A 138 26.567 -13.511 12.838 1.00 62.42 C ATOM 2050 CG LYS A 138 27.464 -14.703 12.550 1.00 30.13 C ATOM 2051 CD LYS A 138 27.886 -15.405 13.830 1.00 34.32 C ATOM 2052 CE LYS A 138 28.548 -16.743 13.540 1.00 73.44 C ATOM 2053 NZ LYS A 138 30.033 -16.638 13.537 1.00 62.31 N ATOM 0 H LYS A 138 27.075 -13.105 10.459 1.00 21.40 H new ATOM 0 HA LYS A 138 26.406 -11.392 12.514 1.00 60.32 H new ATOM 0 HB2 LYS A 138 26.399 -13.445 13.913 1.00 62.42 H new ATOM 0 HB3 LYS A 138 25.595 -13.677 12.373 1.00 62.42 H new ATOM 0 HG2 LYS A 138 26.939 -15.407 11.904 1.00 30.13 H new ATOM 0 HG3 LYS A 138 28.349 -14.371 12.007 1.00 30.13 H new ATOM 0 HD2 LYS A 138 28.576 -14.769 14.384 1.00 34.32 H new ATOM 0 HD3 LYS A 138 27.014 -15.559 14.466 1.00 34.32 H new ATOM 0 HE2 LYS A 138 28.237 -17.472 14.288 1.00 73.44 H new ATOM 0 HE3 LYS A 138 28.208 -17.114 12.573 1.00 73.44 H new ATOM 0 HZ1 LYS A 138 30.447 -17.571 13.336 1.00 62.31 H new ATOM 0 HZ2 LYS A 138 30.332 -15.962 12.806 1.00 62.31 H new ATOM 0 HZ3 LYS A 138 30.360 -16.308 14.468 1.00 62.31 H new