USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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: I 7 MET CE :methyl -126:sc= -1.66 (180deg=-4.55!) USER MOD Set 1.2: I 8 MET CE :methyl -165:sc= -11.3! (180deg=-11.6!) USER MOD Set 2.1: C 69 SER OG : rot 104:sc= 0.875 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0.78 USER MOD Set 3.1: C 37 SER OG : rot 180:sc= -0.06 USER MOD Set 3.2: C 38 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: C 13 THR OG1 : rot 180:sc= -2.94! USER MOD Set 4.2: C 16 GLN : amide:sc= 0 X(o=-3.7,f=-4) USER MOD Set 4.3: C 85 MET CE :methyl 150:sc= -0.784 (180deg=-2.13!) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 145:sc= -0.0207 (180deg=-0.688) USER MOD Single : C 18 ASN : amide:sc= 0.721 K(o=0.72,f=-0.63) USER MOD Single : C 21 LYS NZ :NH3+ -143:sc= -0.0936 (180deg=-0.916) USER MOD Single : C 35 CYS SG : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -147:sc= -0.0341 (180deg=-1.24) USER MOD Single : C 45 MET CE :methyl -139:sc= -3.53! (180deg=-5.85!) USER MOD Single : C 47 MET CE :methyl 180:sc= -6.41! (180deg=-6.41!) USER MOD Single : C 50 GLN : amide:sc=-0.00659 K(o=-0.0066,f=-1.1) USER MOD Single : C 51 ASN : amide:sc= 0.939 K(o=0.94,f=-0.21) USER MOD Single : C 53 THR OG1 : rot 139:sc= -0.956! USER MOD Single : C 58 GLN : amide:sc= -0.229 K(o=-0.23,f=-2.3!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -4:sc= -0.183 USER MOD Single : I 3 SER OG : rot 180:sc= 0 USER MOD Single : I 9 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 58.988 -12.752 12.867 1.00 0.00 N ATOM 45 CA ILE C 4 57.516 -12.633 13.066 1.00 0.00 C ATOM 46 C ILE C 4 56.881 -11.890 11.886 1.00 0.00 C ATOM 47 O ILE C 4 55.689 -11.966 11.663 1.00 0.00 O ATOM 48 CB ILE C 4 57.358 -11.830 14.356 1.00 0.00 C ATOM 49 CG1 ILE C 4 55.903 -11.904 14.828 1.00 0.00 C ATOM 50 CG2 ILE C 4 57.736 -10.369 14.099 1.00 0.00 C ATOM 51 CD1 ILE C 4 55.708 -10.980 16.031 1.00 0.00 C ATOM 0 HA ILE C 4 57.025 -13.604 13.128 1.00 0.00 H new ATOM 0 HB ILE C 4 58.012 -12.245 15.123 1.00 0.00 H new ATOM 0 HG12 ILE C 4 55.232 -11.612 14.020 1.00 0.00 H new ATOM 0 HG13 ILE C 4 55.649 -12.929 15.099 1.00 0.00 H new ATOM 0 HG21 ILE C 4 57.623 -9.797 15.020 1.00 0.00 H new ATOM 0 HG22 ILE C 4 58.771 -10.315 13.763 1.00 0.00 H new ATOM 0 HG23 ILE C 4 57.083 -9.954 13.331 1.00 0.00 H new ATOM 0 HD11 ILE C 4 54.672 -11.033 16.366 1.00 0.00 H new ATOM 0 HD12 ILE C 4 56.368 -11.292 16.840 1.00 0.00 H new ATOM 0 HD13 ILE C 4 55.945 -9.955 15.745 1.00 0.00 H new ATOM 63 N TYR C 5 57.668 -11.175 11.130 1.00 0.00 N ATOM 64 CA TYR C 5 57.106 -10.432 9.966 1.00 0.00 C ATOM 65 C TYR C 5 57.127 -11.316 8.716 1.00 0.00 C ATOM 66 O TYR C 5 56.212 -11.299 7.917 1.00 0.00 O ATOM 67 CB TYR C 5 58.026 -9.225 9.784 1.00 0.00 C ATOM 68 CG TYR C 5 57.518 -8.075 10.622 1.00 0.00 C ATOM 69 CD1 TYR C 5 57.933 -7.942 11.953 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.630 -7.142 10.070 1.00 0.00 C ATOM 71 CE1 TYR C 5 57.462 -6.877 12.730 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.158 -6.078 10.848 1.00 0.00 C ATOM 73 CZ TYR C 5 56.574 -5.945 12.178 1.00 0.00 C ATOM 74 OH TYR C 5 56.107 -4.897 12.947 1.00 0.00 O ATOM 0 H TYR C 5 58.674 -11.073 11.267 1.00 0.00 H new ATOM 0 HA TYR C 5 56.070 -10.133 10.127 1.00 0.00 H new ATOM 0 HB2 TYR C 5 59.044 -9.482 10.078 1.00 0.00 H new ATOM 0 HB3 TYR C 5 58.061 -8.936 8.734 1.00 0.00 H new ATOM 0 HD1 TYR C 5 58.616 -8.661 12.380 1.00 0.00 H new ATOM 0 HD2 TYR C 5 56.309 -7.244 9.044 1.00 0.00 H new ATOM 0 HE1 TYR C 5 57.784 -6.774 13.756 1.00 0.00 H new ATOM 0 HE2 TYR C 5 55.473 -5.360 10.422 1.00 0.00 H new ATOM 0 HH TYR C 5 55.501 -4.343 12.412 1.00 0.00 H new ATOM 84 N LYS C 6 58.163 -12.090 8.543 1.00 0.00 N ATOM 85 CA LYS C 6 58.239 -12.975 7.345 1.00 0.00 C ATOM 86 C LYS C 6 56.929 -13.750 7.186 1.00 0.00 C ATOM 87 O LYS C 6 56.589 -14.201 6.110 1.00 0.00 O ATOM 88 CB LYS C 6 59.398 -13.931 7.629 1.00 0.00 C ATOM 89 CG LYS C 6 59.241 -14.532 9.027 1.00 0.00 C ATOM 90 CD LYS C 6 59.694 -15.994 9.007 1.00 0.00 C ATOM 91 CE LYS C 6 58.994 -16.763 10.129 1.00 0.00 C ATOM 92 NZ LYS C 6 59.234 -18.200 9.817 1.00 0.00 N ATOM 0 H LYS C 6 58.959 -12.148 9.178 1.00 0.00 H new ATOM 0 HA LYS C 6 58.394 -12.414 6.423 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.419 -14.724 6.882 1.00 0.00 H new ATOM 0 HB3 LYS C 6 60.347 -13.399 7.556 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.833 -13.966 9.746 1.00 0.00 H new ATOM 0 HG3 LYS C 6 58.201 -14.466 9.348 1.00 0.00 H new ATOM 0 HD2 LYS C 6 59.460 -16.445 8.043 1.00 0.00 H new ATOM 0 HD3 LYS C 6 60.775 -16.052 9.132 1.00 0.00 H new ATOM 0 HE2 LYS C 6 59.402 -16.497 11.104 1.00 0.00 H new ATOM 0 HE3 LYS C 6 57.928 -16.538 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 58.784 -18.793 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 58.829 -18.425 8.886 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 60.257 -18.386 9.804 1.00 0.00 H new ATOM 106 N ALA C 7 56.192 -13.905 8.251 1.00 0.00 N ATOM 107 CA ALA C 7 54.901 -14.650 8.165 1.00 0.00 C ATOM 108 C ALA C 7 53.810 -13.750 7.577 1.00 0.00 C ATOM 109 O ALA C 7 52.974 -14.191 6.813 1.00 0.00 O ATOM 110 CB ALA C 7 54.564 -15.028 9.607 1.00 0.00 C ATOM 0 H ALA C 7 56.426 -13.549 9.178 1.00 0.00 H new ATOM 0 HA ALA C 7 54.972 -15.526 7.521 1.00 0.00 H new ATOM 0 HB1 ALA C 7 53.625 -15.581 9.628 1.00 0.00 H new ATOM 0 HB2 ALA C 7 55.360 -15.650 10.016 1.00 0.00 H new ATOM 0 HB3 ALA C 7 54.466 -14.123 10.207 1.00 0.00 H new ATOM 116 N ALA C 8 53.808 -12.493 7.929 1.00 0.00 N ATOM 117 CA ALA C 8 52.769 -11.569 7.389 1.00 0.00 C ATOM 118 C ALA C 8 52.963 -11.378 5.883 1.00 0.00 C ATOM 119 O ALA C 8 52.050 -11.009 5.171 1.00 0.00 O ATOM 120 CB ALA C 8 52.990 -10.249 8.127 1.00 0.00 C ATOM 0 H ALA C 8 54.480 -12.066 8.566 1.00 0.00 H new ATOM 0 HA ALA C 8 51.760 -11.954 7.534 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.262 -9.514 7.784 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.869 -10.407 9.199 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.997 -9.883 7.925 1.00 0.00 H new ATOM 126 N VAL C 9 54.146 -11.623 5.392 1.00 0.00 N ATOM 127 CA VAL C 9 54.398 -11.452 3.931 1.00 0.00 C ATOM 128 C VAL C 9 53.706 -12.565 3.139 1.00 0.00 C ATOM 129 O VAL C 9 53.014 -12.313 2.173 1.00 0.00 O ATOM 130 CB VAL C 9 55.915 -11.547 3.776 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.316 -11.077 2.377 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.591 -10.659 4.823 1.00 0.00 C ATOM 0 H VAL C 9 54.950 -11.934 5.938 1.00 0.00 H new ATOM 0 HA VAL C 9 54.009 -10.506 3.554 1.00 0.00 H new ATOM 0 HB VAL C 9 56.230 -12.581 3.917 1.00 0.00 H new ATOM 0 HG11 VAL C 9 57.398 -11.145 2.267 1.00 0.00 H new ATOM 0 HG12 VAL C 9 55.835 -11.708 1.629 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.001 -10.043 2.236 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.673 -10.726 4.713 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.275 -9.625 4.682 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.306 -10.992 5.821 1.00 0.00 H new ATOM 142 N GLU C 10 53.888 -13.793 3.539 1.00 0.00 N ATOM 143 CA GLU C 10 53.240 -14.917 2.805 1.00 0.00 C ATOM 144 C GLU C 10 51.715 -14.795 2.888 1.00 0.00 C ATOM 145 O GLU C 10 50.990 -15.486 2.202 1.00 0.00 O ATOM 146 CB GLU C 10 53.717 -16.182 3.517 1.00 0.00 C ATOM 147 CG GLU C 10 54.606 -16.995 2.574 1.00 0.00 C ATOM 148 CD GLU C 10 56.071 -16.835 2.988 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.460 -17.449 3.968 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.779 -16.104 2.317 1.00 0.00 O ATOM 0 H GLU C 10 54.456 -14.067 4.341 1.00 0.00 H new ATOM 0 HA GLU C 10 53.500 -14.923 1.746 1.00 0.00 H new ATOM 0 HB2 GLU C 10 54.271 -15.918 4.418 1.00 0.00 H new ATOM 0 HB3 GLU C 10 52.861 -16.779 3.832 1.00 0.00 H new ATOM 0 HG2 GLU C 10 54.321 -18.047 2.605 1.00 0.00 H new ATOM 0 HG3 GLU C 10 54.469 -16.658 1.547 1.00 0.00 H new ATOM 157 N GLN C 11 51.224 -13.919 3.722 1.00 0.00 N ATOM 158 CA GLN C 11 49.747 -13.755 3.845 1.00 0.00 C ATOM 159 C GLN C 11 49.247 -12.690 2.863 1.00 0.00 C ATOM 160 O GLN C 11 48.078 -12.362 2.834 1.00 0.00 O ATOM 161 CB GLN C 11 49.515 -13.305 5.287 1.00 0.00 C ATOM 162 CG GLN C 11 48.649 -14.336 6.012 1.00 0.00 C ATOM 163 CD GLN C 11 48.585 -13.992 7.501 1.00 0.00 C ATOM 164 OE1 GLN C 11 47.525 -13.723 8.029 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.684 -13.988 8.206 1.00 0.00 N ATOM 0 H GLN C 11 51.780 -13.311 4.323 1.00 0.00 H new ATOM 0 HA GLN C 11 49.211 -14.675 3.614 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.469 -13.191 5.801 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.027 -12.331 5.301 1.00 0.00 H new ATOM 0 HG2 GLN C 11 47.645 -14.347 5.587 1.00 0.00 H new ATOM 0 HG3 GLN C 11 49.064 -15.335 5.876 1.00 0.00 H new ATOM 0 HE21 GLN C 11 50.575 -14.214 7.763 1.00 0.00 H new ATOM 0 HE22 GLN C 11 49.652 -13.759 9.199 1.00 0.00 H new ATOM 174 N LEU C 12 50.122 -12.150 2.061 1.00 0.00 N ATOM 175 CA LEU C 12 49.690 -11.109 1.085 1.00 0.00 C ATOM 176 C LEU C 12 48.845 -11.746 -0.022 1.00 0.00 C ATOM 177 O LEU C 12 48.070 -12.650 0.220 1.00 0.00 O ATOM 178 CB LEU C 12 50.990 -10.538 0.514 1.00 0.00 C ATOM 179 CG LEU C 12 51.842 -9.972 1.651 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.294 -9.844 1.189 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.311 -8.592 2.045 1.00 0.00 C ATOM 0 H LEU C 12 51.115 -12.383 2.038 1.00 0.00 H new ATOM 0 HA LEU C 12 49.076 -10.335 1.546 1.00 0.00 H new ATOM 0 HB2 LEU C 12 51.540 -11.317 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU C 12 50.768 -9.756 -0.212 1.00 0.00 H new ATOM 0 HG LEU C 12 51.792 -10.642 2.509 1.00 0.00 H new ATOM 0 HD11 LEU C 12 53.900 -9.441 2.000 1.00 0.00 H new ATOM 0 HD12 LEU C 12 53.674 -10.826 0.906 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.345 -9.174 0.331 1.00 0.00 H new ATOM 0 HD21 LEU C 12 51.917 -8.187 2.855 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.361 -7.924 1.185 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.276 -8.681 2.375 1.00 0.00 H new ATOM 193 N THR C 13 48.988 -11.284 -1.233 1.00 0.00 N ATOM 194 CA THR C 13 48.191 -11.867 -2.350 1.00 0.00 C ATOM 195 C THR C 13 48.994 -11.808 -3.652 1.00 0.00 C ATOM 196 O THR C 13 50.066 -11.238 -3.707 1.00 0.00 O ATOM 197 CB THR C 13 46.944 -10.987 -2.447 1.00 0.00 C ATOM 198 OG1 THR C 13 47.233 -9.700 -1.921 1.00 0.00 O ATOM 199 CG2 THR C 13 45.805 -11.624 -1.649 1.00 0.00 C ATOM 0 H THR C 13 49.621 -10.529 -1.498 1.00 0.00 H new ATOM 0 HA THR C 13 47.937 -12.913 -2.179 1.00 0.00 H new ATOM 0 HB THR C 13 46.644 -10.894 -3.491 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.435 -9.134 -1.984 1.00 0.00 H new ATOM 0 HG21 THR C 13 44.917 -10.996 -1.719 1.00 0.00 H new ATOM 0 HG22 THR C 13 45.584 -12.611 -2.055 1.00 0.00 H new ATOM 0 HG23 THR C 13 46.101 -11.719 -0.604 1.00 0.00 H new ATOM 207 N GLU C 14 48.484 -12.393 -4.701 1.00 0.00 N ATOM 208 CA GLU C 14 49.219 -12.370 -5.998 1.00 0.00 C ATOM 209 C GLU C 14 49.357 -10.932 -6.502 1.00 0.00 C ATOM 210 O GLU C 14 50.428 -10.492 -6.871 1.00 0.00 O ATOM 211 CB GLU C 14 48.357 -13.191 -6.956 1.00 0.00 C ATOM 212 CG GLU C 14 49.259 -13.951 -7.931 1.00 0.00 C ATOM 213 CD GLU C 14 50.098 -14.973 -7.160 1.00 0.00 C ATOM 214 OE1 GLU C 14 51.114 -14.581 -6.611 1.00 0.00 O ATOM 215 OE2 GLU C 14 49.708 -16.129 -7.131 1.00 0.00 O ATOM 0 H GLU C 14 47.591 -12.886 -4.716 1.00 0.00 H new ATOM 0 HA GLU C 14 50.227 -12.774 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU C 14 47.738 -13.891 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU C 14 47.680 -12.536 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU C 14 48.654 -14.456 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU C 14 49.910 -13.254 -8.459 1.00 0.00 H new ATOM 222 N GLU C 15 48.279 -10.196 -6.523 1.00 0.00 N ATOM 223 CA GLU C 15 48.346 -8.786 -7.005 1.00 0.00 C ATOM 224 C GLU C 15 49.124 -7.924 -6.007 1.00 0.00 C ATOM 225 O GLU C 15 49.988 -7.155 -6.378 1.00 0.00 O ATOM 226 CB GLU C 15 46.890 -8.326 -7.090 1.00 0.00 C ATOM 227 CG GLU C 15 46.345 -8.617 -8.490 1.00 0.00 C ATOM 228 CD GLU C 15 46.300 -7.320 -9.300 1.00 0.00 C ATOM 229 OE1 GLU C 15 47.357 -6.758 -9.539 1.00 0.00 O ATOM 230 OE2 GLU C 15 45.211 -6.909 -9.666 1.00 0.00 O ATOM 0 H GLU C 15 47.355 -10.510 -6.227 1.00 0.00 H new ATOM 0 HA GLU C 15 48.856 -8.701 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.290 -8.841 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.821 -7.260 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.976 -9.350 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU C 15 45.347 -9.050 -8.421 1.00 0.00 H new ATOM 237 N GLN C 16 48.822 -8.046 -4.745 1.00 0.00 N ATOM 238 CA GLN C 16 49.543 -7.235 -3.722 1.00 0.00 C ATOM 239 C GLN C 16 51.053 -7.456 -3.840 1.00 0.00 C ATOM 240 O GLN C 16 51.826 -6.519 -3.879 1.00 0.00 O ATOM 241 CB GLN C 16 49.028 -7.747 -2.377 1.00 0.00 C ATOM 242 CG GLN C 16 49.799 -7.070 -1.242 1.00 0.00 C ATOM 243 CD GLN C 16 48.879 -6.896 -0.033 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.471 -7.863 0.578 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.534 -5.694 0.340 1.00 0.00 N ATOM 0 H GLN C 16 48.107 -8.673 -4.376 1.00 0.00 H new ATOM 0 HA GLN C 16 49.369 -6.166 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN C 16 47.962 -7.539 -2.281 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.148 -8.829 -2.318 1.00 0.00 H new ATOM 0 HG2 GLN C 16 50.667 -7.671 -0.969 1.00 0.00 H new ATOM 0 HG3 GLN C 16 50.173 -6.100 -1.570 1.00 0.00 H new ATOM 0 HE21 GLN C 16 48.877 -4.882 -0.174 1.00 0.00 H new ATOM 0 HE22 GLN C 16 47.921 -5.566 1.145 1.00 0.00 H new ATOM 254 N LYS C 17 51.480 -8.689 -3.897 1.00 0.00 N ATOM 255 CA LYS C 17 52.939 -8.970 -4.012 1.00 0.00 C ATOM 256 C LYS C 17 53.547 -8.153 -5.157 1.00 0.00 C ATOM 257 O LYS C 17 54.454 -7.370 -4.960 1.00 0.00 O ATOM 258 CB LYS C 17 53.031 -10.466 -4.314 1.00 0.00 C ATOM 259 CG LYS C 17 53.763 -11.175 -3.173 1.00 0.00 C ATOM 260 CD LYS C 17 53.111 -12.535 -2.913 1.00 0.00 C ATOM 261 CE LYS C 17 54.156 -13.641 -3.081 1.00 0.00 C ATOM 262 NZ LYS C 17 55.153 -13.395 -2.003 1.00 0.00 N ATOM 0 H LYS C 17 50.881 -9.514 -3.869 1.00 0.00 H new ATOM 0 HA LYS C 17 53.484 -8.702 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.032 -10.885 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.560 -10.626 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS C 17 54.814 -11.307 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS C 17 53.728 -10.565 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS C 17 52.694 -12.564 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS C 17 52.284 -12.693 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS C 17 53.705 -14.628 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS C 17 54.621 -13.599 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 55.515 -14.304 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 55.941 -12.831 -2.381 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 54.700 -12.877 -1.223 1.00 0.00 H new ATOM 276 N ASN C 18 53.055 -8.333 -6.351 1.00 0.00 N ATOM 277 CA ASN C 18 53.605 -7.570 -7.508 1.00 0.00 C ATOM 278 C ASN C 18 53.517 -6.064 -7.245 1.00 0.00 C ATOM 279 O ASN C 18 54.232 -5.280 -7.836 1.00 0.00 O ATOM 280 CB ASN C 18 52.724 -7.960 -8.695 1.00 0.00 C ATOM 281 CG ASN C 18 52.993 -9.418 -9.074 1.00 0.00 C ATOM 282 OD1 ASN C 18 54.017 -9.731 -9.646 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.107 -10.329 -8.778 1.00 0.00 N ATOM 0 H ASN C 18 52.296 -8.976 -6.577 1.00 0.00 H new ATOM 0 HA ASN C 18 54.656 -7.797 -7.688 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.673 -7.828 -8.440 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.930 -7.309 -9.544 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.275 -11.304 -9.027 1.00 0.00 H new ATOM 0 HD22 ASN C 18 51.247 -10.066 -8.297 1.00 0.00 H new ATOM 290 N GLU C 19 52.644 -5.654 -6.367 1.00 0.00 N ATOM 291 CA GLU C 19 52.514 -4.198 -6.073 1.00 0.00 C ATOM 292 C GLU C 19 53.782 -3.681 -5.386 1.00 0.00 C ATOM 293 O GLU C 19 54.298 -2.634 -5.722 1.00 0.00 O ATOM 294 CB GLU C 19 51.312 -4.085 -5.135 1.00 0.00 C ATOM 295 CG GLU C 19 50.650 -2.718 -5.317 1.00 0.00 C ATOM 296 CD GLU C 19 49.622 -2.496 -4.207 1.00 0.00 C ATOM 297 OE1 GLU C 19 48.773 -3.355 -4.034 1.00 0.00 O ATOM 298 OE2 GLU C 19 49.701 -1.472 -3.550 1.00 0.00 O ATOM 0 H GLU C 19 52.016 -6.262 -5.841 1.00 0.00 H new ATOM 0 HA GLU C 19 52.379 -3.606 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.596 -4.879 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.631 -4.212 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU C 19 51.404 -1.931 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.165 -2.664 -6.292 1.00 0.00 H new ATOM 305 N PHE C 20 54.285 -4.407 -4.427 1.00 0.00 N ATOM 306 CA PHE C 20 55.519 -3.954 -3.719 1.00 0.00 C ATOM 307 C PHE C 20 56.670 -3.785 -4.714 1.00 0.00 C ATOM 308 O PHE C 20 57.334 -2.768 -4.741 1.00 0.00 O ATOM 309 CB PHE C 20 55.836 -5.066 -2.719 1.00 0.00 C ATOM 310 CG PHE C 20 54.869 -4.994 -1.563 1.00 0.00 C ATOM 311 CD1 PHE C 20 54.720 -3.800 -0.847 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.122 -6.122 -1.205 1.00 0.00 C ATOM 313 CE1 PHE C 20 53.823 -3.733 0.226 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.224 -6.056 -0.131 1.00 0.00 C ATOM 315 CZ PHE C 20 53.076 -4.862 0.584 1.00 0.00 C ATOM 0 H PHE C 20 53.897 -5.293 -4.102 1.00 0.00 H new ATOM 0 HA PHE C 20 55.380 -2.991 -3.227 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.765 -6.039 -3.206 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.859 -4.964 -2.358 1.00 0.00 H new ATOM 0 HD1 PHE C 20 55.297 -2.930 -1.123 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.238 -7.043 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE C 20 53.707 -2.811 0.777 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.647 -6.926 0.145 1.00 0.00 H new ATOM 0 HZ PHE C 20 52.385 -4.811 1.413 1.00 0.00 H new ATOM 325 N LYS C 21 56.913 -4.774 -5.529 1.00 0.00 N ATOM 326 CA LYS C 21 58.024 -4.669 -6.519 1.00 0.00 C ATOM 327 C LYS C 21 58.032 -3.280 -7.164 1.00 0.00 C ATOM 328 O LYS C 21 59.074 -2.713 -7.424 1.00 0.00 O ATOM 329 CB LYS C 21 57.726 -5.741 -7.565 1.00 0.00 C ATOM 330 CG LYS C 21 58.564 -6.987 -7.271 1.00 0.00 C ATOM 331 CD LYS C 21 57.638 -8.161 -6.952 1.00 0.00 C ATOM 332 CE LYS C 21 58.125 -9.412 -7.690 1.00 0.00 C ATOM 333 NZ LYS C 21 57.910 -9.123 -9.138 1.00 0.00 N ATOM 0 H LYS C 21 56.391 -5.650 -5.553 1.00 0.00 H new ATOM 0 HA LYS C 21 59.001 -4.810 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.665 -5.992 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.953 -5.364 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS C 21 59.191 -7.227 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS C 21 59.233 -6.799 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.621 -8.343 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS C 21 56.617 -7.924 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS C 21 59.176 -9.608 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS C 21 57.567 -10.295 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 57.607 -9.991 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 57.175 -8.394 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.798 -8.782 -9.559 1.00 0.00 H new ATOM 347 N ALA C 22 56.878 -2.730 -7.426 1.00 0.00 N ATOM 348 CA ALA C 22 56.821 -1.380 -8.057 1.00 0.00 C ATOM 349 C ALA C 22 57.647 -0.381 -7.244 1.00 0.00 C ATOM 350 O ALA C 22 58.635 0.147 -7.713 1.00 0.00 O ATOM 351 CB ALA C 22 55.342 -0.993 -8.037 1.00 0.00 C ATOM 0 H ALA C 22 55.972 -3.156 -7.231 1.00 0.00 H new ATOM 0 HA ALA C 22 57.228 -1.381 -9.068 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.218 -0.008 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.767 -1.725 -8.603 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.986 -0.970 -7.007 1.00 0.00 H new ATOM 357 N ALA C 23 57.252 -0.114 -6.028 1.00 0.00 N ATOM 358 CA ALA C 23 58.021 0.853 -5.195 1.00 0.00 C ATOM 359 C ALA C 23 59.480 0.406 -5.097 1.00 0.00 C ATOM 360 O ALA C 23 60.387 1.213 -5.072 1.00 0.00 O ATOM 361 CB ALA C 23 57.353 0.820 -3.822 1.00 0.00 C ATOM 0 H ALA C 23 56.433 -0.522 -5.577 1.00 0.00 H new ATOM 0 HA ALA C 23 58.020 1.858 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.866 1.509 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.309 1.117 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.407 -0.190 -3.415 1.00 0.00 H new ATOM 367 N PHE C 24 59.713 -0.878 -5.049 1.00 0.00 N ATOM 368 CA PHE C 24 61.113 -1.377 -4.960 1.00 0.00 C ATOM 369 C PHE C 24 61.879 -0.997 -6.230 1.00 0.00 C ATOM 370 O PHE C 24 63.022 -0.589 -6.179 1.00 0.00 O ATOM 371 CB PHE C 24 60.985 -2.895 -4.841 1.00 0.00 C ATOM 372 CG PHE C 24 62.345 -3.529 -4.998 1.00 0.00 C ATOM 373 CD1 PHE C 24 63.329 -3.329 -4.023 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.622 -4.319 -6.120 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.591 -3.918 -4.169 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.883 -4.908 -6.268 1.00 0.00 C ATOM 377 CZ PHE C 24 64.868 -4.707 -5.292 1.00 0.00 C ATOM 0 H PHE C 24 58.994 -1.601 -5.068 1.00 0.00 H new ATOM 0 HA PHE C 24 61.657 -0.951 -4.117 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.558 -3.160 -3.874 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.305 -3.274 -5.604 1.00 0.00 H new ATOM 0 HD1 PHE C 24 63.115 -2.720 -3.157 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.862 -4.474 -6.872 1.00 0.00 H new ATOM 0 HE1 PHE C 24 65.350 -3.764 -3.416 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.097 -5.517 -7.134 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.841 -5.161 -5.406 1.00 0.00 H new ATOM 387 N ASP C 25 61.254 -1.119 -7.370 1.00 0.00 N ATOM 388 CA ASP C 25 61.945 -0.755 -8.640 1.00 0.00 C ATOM 389 C ASP C 25 62.418 0.699 -8.571 1.00 0.00 C ATOM 390 O ASP C 25 63.522 1.023 -8.964 1.00 0.00 O ATOM 391 CB ASP C 25 60.887 -0.925 -9.732 1.00 0.00 C ATOM 392 CG ASP C 25 60.607 -2.413 -9.950 1.00 0.00 C ATOM 393 OD1 ASP C 25 61.525 -3.199 -9.781 1.00 0.00 O ATOM 394 OD2 ASP C 25 59.481 -2.743 -10.284 1.00 0.00 O ATOM 0 H ASP C 25 60.297 -1.454 -7.477 1.00 0.00 H new ATOM 0 HA ASP C 25 62.823 -1.372 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP C 25 59.970 -0.410 -9.446 1.00 0.00 H new ATOM 0 HB3 ASP C 25 61.232 -0.470 -10.660 1.00 0.00 H new ATOM 399 N ILE C 26 61.588 1.575 -8.072 1.00 0.00 N ATOM 400 CA ILE C 26 61.983 3.011 -7.972 1.00 0.00 C ATOM 401 C ILE C 26 62.973 3.209 -6.821 1.00 0.00 C ATOM 402 O ILE C 26 63.860 4.036 -6.885 1.00 0.00 O ATOM 403 CB ILE C 26 60.678 3.756 -7.687 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.816 3.778 -8.951 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.991 5.192 -7.261 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.927 2.533 -8.985 1.00 0.00 C ATOM 0 H ILE C 26 60.652 1.359 -7.729 1.00 0.00 H new ATOM 0 HA ILE C 26 62.473 3.370 -8.877 1.00 0.00 H new ATOM 0 HB ILE C 26 60.139 3.248 -6.887 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.201 4.678 -8.969 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.451 3.809 -9.836 1.00 0.00 H new ATOM 0 HG21 ILE C 26 60.061 5.722 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.605 5.179 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.531 5.699 -8.061 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.313 2.549 -9.885 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.552 1.640 -8.987 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.282 2.522 -8.106 1.00 0.00 H new ATOM 418 N PHE C 27 62.824 2.457 -5.765 1.00 0.00 N ATOM 419 CA PHE C 27 63.749 2.601 -4.604 1.00 0.00 C ATOM 420 C PHE C 27 65.204 2.389 -5.042 1.00 0.00 C ATOM 421 O PHE C 27 66.126 2.783 -4.357 1.00 0.00 O ATOM 422 CB PHE C 27 63.320 1.509 -3.624 1.00 0.00 C ATOM 423 CG PHE C 27 62.315 2.074 -2.648 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.333 2.968 -3.091 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.367 1.704 -1.300 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.403 3.492 -2.185 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.437 2.227 -0.394 1.00 0.00 C ATOM 428 CZ PHE C 27 60.456 3.122 -0.835 1.00 0.00 C ATOM 0 H PHE C 27 62.100 1.747 -5.656 1.00 0.00 H new ATOM 0 HA PHE C 27 63.699 3.596 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.884 0.670 -4.166 1.00 0.00 H new ATOM 0 HB3 PHE C 27 64.188 1.126 -3.088 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.293 3.254 -4.132 1.00 0.00 H new ATOM 0 HD2 PHE C 27 63.125 1.015 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.645 4.181 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.477 1.939 0.646 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.740 3.527 -0.135 1.00 0.00 H new ATOM 438 N VAL C 28 65.419 1.766 -6.171 1.00 0.00 N ATOM 439 CA VAL C 28 66.818 1.531 -6.635 1.00 0.00 C ATOM 440 C VAL C 28 67.047 2.197 -7.995 1.00 0.00 C ATOM 441 O VAL C 28 68.050 1.973 -8.645 1.00 0.00 O ATOM 442 CB VAL C 28 66.948 0.011 -6.762 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.416 -0.674 -5.498 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.149 -0.471 -7.976 1.00 0.00 C ATOM 0 H VAL C 28 64.690 1.411 -6.789 1.00 0.00 H new ATOM 0 HA VAL C 28 67.552 1.949 -5.946 1.00 0.00 H new ATOM 0 HB VAL C 28 68.000 -0.244 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.514 -1.755 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.989 -0.338 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.366 -0.417 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.242 -1.553 -8.066 1.00 0.00 H new ATOM 0 HG22 VAL C 28 65.099 -0.206 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.536 0.003 -8.878 1.00 0.00 H new ATOM 454 N LEU C 29 66.126 3.011 -8.436 1.00 0.00 N ATOM 455 CA LEU C 29 66.295 3.684 -9.758 1.00 0.00 C ATOM 456 C LEU C 29 67.704 4.272 -9.886 1.00 0.00 C ATOM 457 O LEU C 29 67.960 5.389 -9.481 1.00 0.00 O ATOM 458 CB LEU C 29 65.247 4.797 -9.777 1.00 0.00 C ATOM 459 CG LEU C 29 64.320 4.604 -10.978 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.033 5.402 -10.764 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.019 5.099 -12.246 1.00 0.00 C ATOM 0 H LEU C 29 65.265 3.239 -7.939 1.00 0.00 H new ATOM 0 HA LEU C 29 66.168 2.989 -10.588 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.670 4.783 -8.853 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.735 5.770 -9.834 1.00 0.00 H new ATOM 0 HG LEU C 29 64.079 3.546 -11.083 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.373 5.264 -11.620 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.534 5.052 -9.861 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.274 6.460 -10.658 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.359 4.962 -13.103 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.260 6.157 -12.139 1.00 0.00 H new ATOM 0 HD23 LEU C 29 65.937 4.532 -12.401 1.00 0.00 H new ATOM 473 N GLY C 30 68.618 3.532 -10.451 1.00 0.00 N ATOM 474 CA GLY C 30 70.007 4.052 -10.610 1.00 0.00 C ATOM 475 C GLY C 30 70.987 3.143 -9.866 1.00 0.00 C ATOM 476 O GLY C 30 72.174 3.402 -9.822 1.00 0.00 O ATOM 0 H GLY C 30 68.464 2.590 -10.810 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.270 4.098 -11.667 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.072 5.068 -10.221 1.00 0.00 H new ATOM 480 N ALA C 31 70.504 2.083 -9.280 1.00 0.00 N ATOM 481 CA ALA C 31 71.415 1.162 -8.538 1.00 0.00 C ATOM 482 C ALA C 31 72.086 0.184 -9.506 1.00 0.00 C ATOM 483 O ALA C 31 71.752 0.121 -10.674 1.00 0.00 O ATOM 484 CB ALA C 31 70.510 0.412 -7.562 1.00 0.00 C ATOM 0 H ALA C 31 69.520 1.813 -9.282 1.00 0.00 H new ATOM 0 HA ALA C 31 72.214 1.698 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.107 -0.288 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA C 31 70.027 1.124 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.750 -0.136 -8.119 1.00 0.00 H new ATOM 490 N GLU C 32 73.030 -0.579 -9.031 1.00 0.00 N ATOM 491 CA GLU C 32 73.724 -1.551 -9.924 1.00 0.00 C ATOM 492 C GLU C 32 73.440 -2.984 -9.466 1.00 0.00 C ATOM 493 O GLU C 32 73.117 -3.847 -10.259 1.00 0.00 O ATOM 494 CB GLU C 32 75.211 -1.228 -9.781 1.00 0.00 C ATOM 495 CG GLU C 32 75.468 0.211 -10.235 1.00 0.00 C ATOM 496 CD GLU C 32 76.875 0.637 -9.813 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.284 0.265 -8.725 1.00 0.00 O ATOM 498 OE2 GLU C 32 77.520 1.327 -10.585 1.00 0.00 O ATOM 0 H GLU C 32 73.352 -0.572 -8.063 1.00 0.00 H new ATOM 0 HA GLU C 32 73.388 -1.475 -10.958 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.523 -1.355 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.803 -1.920 -10.379 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.363 0.286 -11.317 1.00 0.00 H new ATOM 0 HG3 GLU C 32 74.727 0.880 -9.796 1.00 0.00 H new ATOM 505 N ASP C 33 73.559 -3.245 -8.194 1.00 0.00 N ATOM 506 CA ASP C 33 73.298 -4.623 -7.688 1.00 0.00 C ATOM 507 C ASP C 33 71.800 -4.819 -7.429 1.00 0.00 C ATOM 508 O ASP C 33 71.282 -5.913 -7.531 1.00 0.00 O ATOM 509 CB ASP C 33 74.088 -4.720 -6.383 1.00 0.00 C ATOM 510 CG ASP C 33 74.373 -6.189 -6.067 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.471 -6.966 -7.002 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.488 -6.512 -4.896 1.00 0.00 O ATOM 0 H ASP C 33 73.826 -2.564 -7.483 1.00 0.00 H new ATOM 0 HA ASP C 33 73.597 -5.390 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP C 33 75.024 -4.168 -6.470 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.524 -4.265 -5.569 1.00 0.00 H new ATOM 517 N GLY C 34 71.101 -3.768 -7.097 1.00 0.00 N ATOM 518 CA GLY C 34 69.639 -3.897 -6.835 1.00 0.00 C ATOM 519 C GLY C 34 69.354 -3.586 -5.365 1.00 0.00 C ATOM 520 O GLY C 34 68.497 -4.186 -4.748 1.00 0.00 O ATOM 0 H GLY C 34 71.479 -2.826 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.082 -3.214 -7.477 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.303 -4.906 -7.076 1.00 0.00 H new ATOM 524 N CYS C 35 70.061 -2.645 -4.803 1.00 0.00 N ATOM 525 CA CYS C 35 69.826 -2.288 -3.375 1.00 0.00 C ATOM 526 C CYS C 35 69.290 -0.859 -3.281 1.00 0.00 C ATOM 527 O CYS C 35 69.166 -0.169 -4.273 1.00 0.00 O ATOM 528 CB CYS C 35 71.196 -2.393 -2.703 1.00 0.00 C ATOM 529 SG CYS C 35 71.677 -4.133 -2.581 1.00 0.00 S ATOM 0 H CYS C 35 70.791 -2.108 -5.270 1.00 0.00 H new ATOM 0 HA CYS C 35 69.094 -2.940 -2.899 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.938 -1.839 -3.278 1.00 0.00 H new ATOM 0 HB3 CYS C 35 71.161 -1.944 -1.710 1.00 0.00 H new ATOM 0 HG CYS C 35 72.842 -4.222 -2.012 1.00 0.00 H new ATOM 535 N ILE C 36 68.968 -0.407 -2.101 1.00 0.00 N ATOM 536 CA ILE C 36 68.440 0.978 -1.964 1.00 0.00 C ATOM 537 C ILE C 36 69.269 1.780 -0.962 1.00 0.00 C ATOM 538 O ILE C 36 69.896 1.235 -0.077 1.00 0.00 O ATOM 539 CB ILE C 36 67.013 0.819 -1.450 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.238 -0.127 -2.372 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.330 2.187 -1.427 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.027 -0.690 -1.624 1.00 0.00 C ATOM 0 H ILE C 36 69.047 -0.933 -1.231 1.00 0.00 H new ATOM 0 HA ILE C 36 68.480 1.514 -2.912 1.00 0.00 H new ATOM 0 HB ILE C 36 67.031 0.403 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.912 0.405 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.884 -0.940 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.309 2.078 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE C 36 66.882 2.858 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.311 2.601 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.475 -1.363 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.365 -1.237 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.377 0.129 -1.315 1.00 0.00 H new ATOM 554 N SER C 37 69.260 3.074 -1.096 1.00 0.00 N ATOM 555 CA SER C 37 70.028 3.936 -0.160 1.00 0.00 C ATOM 556 C SER C 37 69.440 5.346 -0.183 1.00 0.00 C ATOM 557 O SER C 37 68.706 5.699 -1.084 1.00 0.00 O ATOM 558 CB SER C 37 71.457 3.939 -0.700 1.00 0.00 C ATOM 559 OG SER C 37 72.186 4.998 -0.093 1.00 0.00 O ATOM 0 H SER C 37 68.748 3.576 -1.821 1.00 0.00 H new ATOM 0 HA SER C 37 69.993 3.580 0.870 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.939 2.984 -0.491 1.00 0.00 H new ATOM 0 HB3 SER C 37 71.449 4.062 -1.783 1.00 0.00 H new ATOM 0 HG SER C 37 73.104 5.002 -0.436 1.00 0.00 H new ATOM 565 N THR C 38 69.753 6.158 0.788 1.00 0.00 N ATOM 566 CA THR C 38 69.202 7.541 0.790 1.00 0.00 C ATOM 567 C THR C 38 69.315 8.138 -0.615 1.00 0.00 C ATOM 568 O THR C 38 68.551 9.003 -0.998 1.00 0.00 O ATOM 569 CB THR C 38 70.072 8.317 1.782 1.00 0.00 C ATOM 570 OG1 THR C 38 71.425 8.288 1.349 1.00 0.00 O ATOM 571 CG2 THR C 38 69.963 7.678 3.167 1.00 0.00 C ATOM 0 H THR C 38 70.361 5.927 1.574 1.00 0.00 H new ATOM 0 HA THR C 38 68.150 7.574 1.072 1.00 0.00 H new ATOM 0 HB THR C 38 69.730 9.351 1.833 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.982 8.786 1.983 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.583 8.231 3.873 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.925 7.703 3.499 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.303 6.644 3.118 1.00 0.00 H new ATOM 579 N LYS C 39 70.257 7.670 -1.391 1.00 0.00 N ATOM 580 CA LYS C 39 70.413 8.196 -2.777 1.00 0.00 C ATOM 581 C LYS C 39 69.307 7.633 -3.673 1.00 0.00 C ATOM 582 O LYS C 39 68.774 8.321 -4.522 1.00 0.00 O ATOM 583 CB LYS C 39 71.784 7.704 -3.241 1.00 0.00 C ATOM 584 CG LYS C 39 72.564 8.868 -3.858 1.00 0.00 C ATOM 585 CD LYS C 39 74.065 8.584 -3.772 1.00 0.00 C ATOM 586 CE LYS C 39 74.718 8.854 -5.130 1.00 0.00 C ATOM 587 NZ LYS C 39 74.778 7.525 -5.799 1.00 0.00 N ATOM 0 H LYS C 39 70.924 6.946 -1.124 1.00 0.00 H new ATOM 0 HA LYS C 39 70.340 9.283 -2.820 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.337 7.288 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.667 6.904 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.269 9.006 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.329 9.795 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.521 9.212 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS C 39 74.233 7.549 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS C 39 74.134 9.564 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS C 39 75.714 9.282 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.214 7.628 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.346 6.872 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 73.815 7.146 -5.905 1.00 0.00 H new ATOM 601 N GLU C 40 68.946 6.389 -3.486 1.00 0.00 N ATOM 602 CA GLU C 40 67.865 5.796 -4.320 1.00 0.00 C ATOM 603 C GLU C 40 66.533 5.947 -3.589 1.00 0.00 C ATOM 604 O GLU C 40 65.496 6.144 -4.190 1.00 0.00 O ATOM 605 CB GLU C 40 68.233 4.320 -4.469 1.00 0.00 C ATOM 606 CG GLU C 40 69.722 4.194 -4.790 1.00 0.00 C ATOM 607 CD GLU C 40 70.022 4.897 -6.115 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.744 4.312 -7.149 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.523 6.009 -6.075 1.00 0.00 O ATOM 0 H GLU C 40 69.354 5.762 -2.793 1.00 0.00 H new ATOM 0 HA GLU C 40 67.767 6.280 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU C 40 68.002 3.782 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.640 3.865 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU C 40 70.316 4.636 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU C 40 70.003 3.143 -4.852 1.00 0.00 H new ATOM 616 N LEU C 41 66.565 5.867 -2.288 1.00 0.00 N ATOM 617 CA LEU C 41 65.315 6.017 -1.495 1.00 0.00 C ATOM 618 C LEU C 41 64.905 7.491 -1.455 1.00 0.00 C ATOM 619 O LEU C 41 63.833 7.859 -1.893 1.00 0.00 O ATOM 620 CB LEU C 41 65.681 5.520 -0.094 1.00 0.00 C ATOM 621 CG LEU C 41 64.410 5.190 0.688 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.462 6.387 0.655 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.719 3.982 0.057 1.00 0.00 C ATOM 0 H LEU C 41 67.408 5.703 -1.738 1.00 0.00 H new ATOM 0 HA LEU C 41 64.477 5.462 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU C 41 66.314 4.636 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.256 6.282 0.433 1.00 0.00 H new ATOM 0 HG LEU C 41 64.673 4.962 1.721 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.556 6.149 1.213 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.950 7.251 1.106 1.00 0.00 H new ATOM 0 HD13 LEU C 41 63.202 6.617 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.813 3.748 0.616 1.00 0.00 H new ATOM 0 HD22 LEU C 41 63.459 4.210 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU C 41 64.392 3.125 0.081 1.00 0.00 H new ATOM 635 N GLY C 42 65.752 8.338 -0.936 1.00 0.00 N ATOM 636 CA GLY C 42 65.412 9.786 -0.874 1.00 0.00 C ATOM 637 C GLY C 42 64.884 10.240 -2.236 1.00 0.00 C ATOM 638 O GLY C 42 64.054 11.122 -2.329 1.00 0.00 O ATOM 0 H GLY C 42 66.664 8.089 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.662 9.963 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.293 10.367 -0.601 1.00 0.00 H new ATOM 642 N LYS C 43 65.358 9.637 -3.294 1.00 0.00 N ATOM 643 CA LYS C 43 64.880 10.030 -4.652 1.00 0.00 C ATOM 644 C LYS C 43 63.359 9.882 -4.729 1.00 0.00 C ATOM 645 O LYS C 43 62.700 10.531 -5.516 1.00 0.00 O ATOM 646 CB LYS C 43 65.566 9.056 -5.611 1.00 0.00 C ATOM 647 CG LYS C 43 66.278 9.843 -6.713 1.00 0.00 C ATOM 648 CD LYS C 43 66.222 9.056 -8.022 1.00 0.00 C ATOM 649 CE LYS C 43 67.589 9.104 -8.708 1.00 0.00 C ATOM 650 NZ LYS C 43 67.922 10.553 -8.801 1.00 0.00 N ATOM 0 H LYS C 43 66.054 8.891 -3.277 1.00 0.00 H new ATOM 0 HA LYS C 43 65.114 11.067 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.283 8.439 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.831 8.381 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS C 43 65.806 10.817 -6.842 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.315 10.026 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS C 43 65.939 8.022 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS C 43 65.459 9.476 -8.678 1.00 0.00 H new ATOM 0 HE2 LYS C 43 68.339 8.563 -8.132 1.00 0.00 H new ATOM 0 HE3 LYS C 43 67.552 8.643 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 68.471 10.728 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 67.044 11.110 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 68.484 10.834 -7.972 1.00 0.00 H new ATOM 664 N VAL C 44 62.801 9.034 -3.910 1.00 0.00 N ATOM 665 CA VAL C 44 61.322 8.841 -3.924 1.00 0.00 C ATOM 666 C VAL C 44 60.652 9.908 -3.053 1.00 0.00 C ATOM 667 O VAL C 44 59.581 10.390 -3.357 1.00 0.00 O ATOM 668 CB VAL C 44 61.104 7.452 -3.328 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.632 7.278 -2.954 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.497 6.390 -4.358 1.00 0.00 C ATOM 0 H VAL C 44 63.306 8.465 -3.230 1.00 0.00 H new ATOM 0 HA VAL C 44 60.897 8.927 -4.924 1.00 0.00 H new ATOM 0 HB VAL C 44 61.719 7.341 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL C 44 59.479 6.286 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL C 44 59.351 8.034 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL C 44 59.014 7.390 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL C 44 61.342 5.398 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.882 6.504 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.547 6.511 -4.623 1.00 0.00 H new ATOM 680 N MET C 45 61.283 10.276 -1.972 1.00 0.00 N ATOM 681 CA MET C 45 60.693 11.309 -1.075 1.00 0.00 C ATOM 682 C MET C 45 60.214 12.512 -1.888 1.00 0.00 C ATOM 683 O MET C 45 59.045 12.842 -1.893 1.00 0.00 O ATOM 684 CB MET C 45 61.832 11.710 -0.140 1.00 0.00 C ATOM 685 CG MET C 45 61.783 10.851 1.126 1.00 0.00 C ATOM 686 SD MET C 45 61.683 9.103 0.667 1.00 0.00 S ATOM 687 CE MET C 45 59.883 8.953 0.751 1.00 0.00 C ATOM 0 H MET C 45 62.184 9.905 -1.671 1.00 0.00 H new ATOM 0 HA MET C 45 59.826 10.936 -0.529 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.791 11.581 -0.642 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.748 12.765 0.121 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.671 11.028 1.733 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.921 11.128 1.733 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.618 8.003 1.215 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.477 9.772 1.344 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.467 8.993 -0.256 1.00 0.00 H new ATOM 697 N ARG C 46 61.105 13.170 -2.576 1.00 0.00 N ATOM 698 CA ARG C 46 60.688 14.349 -3.384 1.00 0.00 C ATOM 699 C ARG C 46 59.408 14.018 -4.151 1.00 0.00 C ATOM 700 O ARG C 46 58.530 14.845 -4.303 1.00 0.00 O ATOM 701 CB ARG C 46 61.844 14.601 -4.350 1.00 0.00 C ATOM 702 CG ARG C 46 62.161 13.312 -5.110 1.00 0.00 C ATOM 703 CD ARG C 46 63.498 13.462 -5.837 1.00 0.00 C ATOM 704 NE ARG C 46 63.350 12.657 -7.080 1.00 0.00 N ATOM 705 CZ ARG C 46 64.202 12.799 -8.059 1.00 0.00 C ATOM 706 NH1 ARG C 46 65.240 13.581 -7.918 1.00 0.00 N ATOM 707 NH2 ARG C 46 64.017 12.161 -9.181 1.00 0.00 N ATOM 0 H ARG C 46 62.099 12.944 -2.614 1.00 0.00 H new ATOM 0 HA ARG C 46 60.481 15.225 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.581 15.394 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.724 14.939 -3.802 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.204 12.471 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.368 13.096 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.708 14.507 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG C 46 64.323 13.097 -5.226 1.00 0.00 H new ATOM 0 HE ARG C 46 62.581 11.993 -7.167 1.00 0.00 H new ATOM 0 HH11 ARG C 46 65.386 14.082 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG C 46 65.904 13.690 -8.684 1.00 0.00 H new ATOM 0 HH21 ARG C 46 63.207 11.551 -9.293 1.00 0.00 H new ATOM 0 HH22 ARG C 46 64.682 12.272 -9.946 1.00 0.00 H new ATOM 721 N MET C 47 59.290 12.809 -4.625 1.00 0.00 N ATOM 722 CA MET C 47 58.062 12.420 -5.371 1.00 0.00 C ATOM 723 C MET C 47 56.930 12.131 -4.384 1.00 0.00 C ATOM 724 O MET C 47 55.767 12.327 -4.678 1.00 0.00 O ATOM 725 CB MET C 47 58.447 11.159 -6.139 1.00 0.00 C ATOM 726 CG MET C 47 59.332 11.540 -7.328 1.00 0.00 C ATOM 727 SD MET C 47 59.335 10.192 -8.535 1.00 0.00 S ATOM 728 CE MET C 47 60.100 8.950 -7.467 1.00 0.00 C ATOM 0 H MET C 47 59.991 12.074 -4.528 1.00 0.00 H new ATOM 0 HA MET C 47 57.711 13.205 -6.041 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.977 10.468 -5.483 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.552 10.644 -6.488 1.00 0.00 H new ATOM 0 HG2 MET C 47 58.963 12.456 -7.791 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.348 11.741 -6.989 1.00 0.00 H new ATOM 0 HE1 MET C 47 60.204 8.013 -8.015 1.00 0.00 H new ATOM 0 HE2 MET C 47 61.084 9.297 -7.152 1.00 0.00 H new ATOM 0 HE3 MET C 47 59.474 8.790 -6.589 1.00 0.00 H new ATOM 738 N LEU C 48 57.267 11.674 -3.207 1.00 0.00 N ATOM 739 CA LEU C 48 56.219 11.379 -2.189 1.00 0.00 C ATOM 740 C LEU C 48 55.511 12.675 -1.781 1.00 0.00 C ATOM 741 O LEU C 48 54.463 12.655 -1.165 1.00 0.00 O ATOM 742 CB LEU C 48 56.983 10.782 -1.005 1.00 0.00 C ATOM 743 CG LEU C 48 56.608 9.307 -0.830 1.00 0.00 C ATOM 744 CD1 LEU C 48 55.231 9.203 -0.172 1.00 0.00 C ATOM 745 CD2 LEU C 48 56.575 8.613 -2.196 1.00 0.00 C ATOM 0 H LEU C 48 58.225 11.492 -2.907 1.00 0.00 H new ATOM 0 HA LEU C 48 55.451 10.700 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU C 48 58.056 10.876 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU C 48 56.750 11.335 -0.095 1.00 0.00 H new ATOM 0 HG LEU C 48 57.352 8.821 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU C 48 54.965 8.153 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU C 48 55.256 9.689 0.804 1.00 0.00 H new ATOM 0 HD13 LEU C 48 54.489 9.693 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU C 48 56.308 7.564 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU C 48 55.836 9.099 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU C 48 57.558 8.681 -2.663 1.00 0.00 H new ATOM 757 N GLY C 49 56.076 13.801 -2.127 1.00 0.00 N ATOM 758 CA GLY C 49 55.438 15.100 -1.766 1.00 0.00 C ATOM 759 C GLY C 49 56.265 15.801 -0.688 1.00 0.00 C ATOM 760 O GLY C 49 55.841 16.784 -0.113 1.00 0.00 O ATOM 0 H GLY C 49 56.952 13.877 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.360 15.735 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.423 14.930 -1.406 1.00 0.00 H new ATOM 764 N GLN C 50 57.442 15.309 -0.408 1.00 0.00 N ATOM 765 CA GLN C 50 58.288 15.956 0.637 1.00 0.00 C ATOM 766 C GLN C 50 59.764 15.904 0.236 1.00 0.00 C ATOM 767 O GLN C 50 60.143 15.211 -0.686 1.00 0.00 O ATOM 768 CB GLN C 50 58.058 15.133 1.904 1.00 0.00 C ATOM 769 CG GLN C 50 56.558 14.921 2.118 1.00 0.00 C ATOM 770 CD GLN C 50 56.266 14.832 3.616 1.00 0.00 C ATOM 771 OE1 GLN C 50 57.145 14.538 4.402 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.059 15.076 4.050 1.00 0.00 N ATOM 0 H GLN C 50 57.853 14.490 -0.856 1.00 0.00 H new ATOM 0 HA GLN C 50 58.030 17.006 0.776 1.00 0.00 H new ATOM 0 HB2 GLN C 50 58.562 14.170 1.820 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.489 15.645 2.765 1.00 0.00 H new ATOM 0 HG2 GLN C 50 55.997 15.744 1.675 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.234 14.008 1.618 1.00 0.00 H new ATOM 0 HE21 GLN C 50 54.320 15.323 3.391 1.00 0.00 H new ATOM 0 HE22 GLN C 50 54.855 15.020 5.048 1.00 0.00 H new ATOM 781 N ASN C 51 60.598 16.628 0.929 1.00 0.00 N ATOM 782 CA ASN C 51 62.050 16.618 0.595 1.00 0.00 C ATOM 783 C ASN C 51 62.887 16.656 1.877 1.00 0.00 C ATOM 784 O ASN C 51 63.546 17.637 2.158 1.00 0.00 O ATOM 785 CB ASN C 51 62.286 17.883 -0.238 1.00 0.00 C ATOM 786 CG ASN C 51 61.482 19.050 0.343 1.00 0.00 C ATOM 787 OD1 ASN C 51 60.523 19.497 -0.253 1.00 0.00 O ATOM 788 ND2 ASN C 51 61.838 19.565 1.488 1.00 0.00 N ATOM 0 H ASN C 51 60.337 17.227 1.713 1.00 0.00 H new ATOM 0 HA ASN C 51 62.338 15.718 0.051 1.00 0.00 H new ATOM 0 HB2 ASN C 51 63.348 18.130 -0.246 1.00 0.00 H new ATOM 0 HB3 ASN C 51 61.992 17.707 -1.273 1.00 0.00 H new ATOM 0 HD21 ASN C 51 61.311 20.344 1.883 1.00 0.00 H new ATOM 0 HD22 ASN C 51 62.644 19.189 1.988 1.00 0.00 H new ATOM 795 N PRO C 52 62.832 15.579 2.615 1.00 0.00 N ATOM 796 CA PRO C 52 63.598 15.486 3.882 1.00 0.00 C ATOM 797 C PRO C 52 65.090 15.307 3.589 1.00 0.00 C ATOM 798 O PRO C 52 65.470 14.705 2.604 1.00 0.00 O ATOM 799 CB PRO C 52 63.026 14.243 4.557 1.00 0.00 C ATOM 800 CG PRO C 52 62.481 13.410 3.439 1.00 0.00 C ATOM 801 CD PRO C 52 62.062 14.358 2.344 1.00 0.00 C ATOM 0 HA PRO C 52 63.512 16.379 4.502 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.796 13.705 5.111 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.245 14.506 5.270 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.235 12.711 3.076 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.633 12.816 3.779 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.290 13.954 1.358 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.989 14.549 2.371 1.00 0.00 H new ATOM 809 N THR C 53 65.938 15.822 4.435 1.00 0.00 N ATOM 810 CA THR C 53 67.404 15.674 4.200 1.00 0.00 C ATOM 811 C THR C 53 67.751 14.203 3.965 1.00 0.00 C ATOM 812 O THR C 53 66.917 13.333 4.125 1.00 0.00 O ATOM 813 CB THR C 53 68.066 16.183 5.482 1.00 0.00 C ATOM 814 OG1 THR C 53 67.107 16.212 6.530 1.00 0.00 O ATOM 815 CG2 THR C 53 68.614 17.592 5.251 1.00 0.00 C ATOM 0 H THR C 53 65.682 16.338 5.277 1.00 0.00 H new ATOM 0 HA THR C 53 67.741 16.226 3.323 1.00 0.00 H new ATOM 0 HB THR C 53 68.885 15.518 5.757 1.00 0.00 H new ATOM 0 HG1 THR C 53 67.518 15.889 7.359 1.00 0.00 H new ATOM 0 HG21 THR C 53 69.085 17.953 6.165 1.00 0.00 H new ATOM 0 HG22 THR C 53 69.350 17.569 4.448 1.00 0.00 H new ATOM 0 HG23 THR C 53 67.797 18.259 4.975 1.00 0.00 H new ATOM 823 N PRO C 54 68.981 13.973 3.592 1.00 0.00 N ATOM 824 CA PRO C 54 69.454 12.592 3.330 1.00 0.00 C ATOM 825 C PRO C 54 69.613 11.826 4.646 1.00 0.00 C ATOM 826 O PRO C 54 69.444 10.623 4.701 1.00 0.00 O ATOM 827 CB PRO C 54 70.806 12.798 2.653 1.00 0.00 C ATOM 828 CG PRO C 54 71.269 14.143 3.117 1.00 0.00 C ATOM 829 CD PRO C 54 70.037 14.969 3.381 1.00 0.00 C ATOM 0 HA PRO C 54 68.763 12.010 2.720 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.512 12.018 2.936 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.713 12.765 1.567 1.00 0.00 H new ATOM 0 HG2 PRO C 54 71.873 14.052 4.020 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.896 14.617 2.361 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.164 15.607 4.255 1.00 0.00 H new ATOM 0 HD3 PRO C 54 69.807 15.623 2.540 1.00 0.00 H new ATOM 837 N GLU C 55 69.937 12.512 5.705 1.00 0.00 N ATOM 838 CA GLU C 55 70.103 11.824 7.017 1.00 0.00 C ATOM 839 C GLU C 55 68.740 11.633 7.687 1.00 0.00 C ATOM 840 O GLU C 55 68.580 10.807 8.565 1.00 0.00 O ATOM 841 CB GLU C 55 70.986 12.759 7.844 1.00 0.00 C ATOM 842 CG GLU C 55 72.130 11.960 8.472 1.00 0.00 C ATOM 843 CD GLU C 55 72.609 12.668 9.740 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.428 13.871 9.828 1.00 0.00 O ATOM 845 OE2 GLU C 55 73.148 11.996 10.604 1.00 0.00 O ATOM 0 H GLU C 55 70.094 13.520 5.720 1.00 0.00 H new ATOM 0 HA GLU C 55 70.546 10.833 6.914 1.00 0.00 H new ATOM 0 HB2 GLU C 55 71.386 13.552 7.212 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.394 13.240 8.623 1.00 0.00 H new ATOM 0 HG2 GLU C 55 71.795 10.951 8.711 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.953 11.864 7.763 1.00 0.00 H new ATOM 852 N GLU C 56 67.758 12.391 7.282 1.00 0.00 N ATOM 853 CA GLU C 56 66.406 12.256 7.898 1.00 0.00 C ATOM 854 C GLU C 56 65.677 11.037 7.326 1.00 0.00 C ATOM 855 O GLU C 56 65.173 10.205 8.055 1.00 0.00 O ATOM 856 CB GLU C 56 65.670 13.544 7.525 1.00 0.00 C ATOM 857 CG GLU C 56 64.978 14.114 8.764 1.00 0.00 C ATOM 858 CD GLU C 56 66.028 14.680 9.722 1.00 0.00 C ATOM 859 OE1 GLU C 56 67.020 15.203 9.239 1.00 0.00 O ATOM 860 OE2 GLU C 56 65.824 14.580 10.921 1.00 0.00 O ATOM 0 H GLU C 56 67.833 13.098 6.551 1.00 0.00 H new ATOM 0 HA GLU C 56 66.459 12.113 8.977 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.373 14.273 7.120 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.935 13.343 6.745 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.276 14.896 8.474 1.00 0.00 H new ATOM 0 HG3 GLU C 56 64.400 13.335 9.261 1.00 0.00 H new ATOM 867 N LEU C 57 65.612 10.922 6.027 1.00 0.00 N ATOM 868 CA LEU C 57 64.914 9.761 5.416 1.00 0.00 C ATOM 869 C LEU C 57 65.754 8.485 5.568 1.00 0.00 C ATOM 870 O LEU C 57 65.313 7.398 5.254 1.00 0.00 O ATOM 871 CB LEU C 57 64.717 10.175 3.950 1.00 0.00 C ATOM 872 CG LEU C 57 65.837 9.643 3.042 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.217 9.868 3.666 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.618 8.150 2.798 1.00 0.00 C ATOM 0 H LEU C 57 66.014 11.585 5.364 1.00 0.00 H new ATOM 0 HA LEU C 57 63.962 9.526 5.892 1.00 0.00 H new ATOM 0 HB2 LEU C 57 63.756 9.803 3.595 1.00 0.00 H new ATOM 0 HB3 LEU C 57 64.682 11.262 3.883 1.00 0.00 H new ATOM 0 HG LEU C 57 65.804 10.187 2.098 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.986 9.480 2.998 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.376 10.935 3.822 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.273 9.349 4.623 1.00 0.00 H new ATOM 0 HD21 LEU C 57 66.410 7.767 2.154 1.00 0.00 H new ATOM 0 HD22 LEU C 57 65.635 7.619 3.750 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.652 7.998 2.316 1.00 0.00 H new ATOM 886 N GLN C 58 66.958 8.611 6.060 1.00 0.00 N ATOM 887 CA GLN C 58 67.819 7.405 6.244 1.00 0.00 C ATOM 888 C GLN C 58 67.174 6.451 7.252 1.00 0.00 C ATOM 889 O GLN C 58 67.353 5.250 7.190 1.00 0.00 O ATOM 890 CB GLN C 58 69.142 7.944 6.787 1.00 0.00 C ATOM 891 CG GLN C 58 70.294 7.076 6.279 1.00 0.00 C ATOM 892 CD GLN C 58 70.568 5.952 7.280 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.330 6.104 8.462 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.061 4.821 6.854 1.00 0.00 N ATOM 0 H GLN C 58 67.382 9.495 6.342 1.00 0.00 H new ATOM 0 HA GLN C 58 67.957 6.847 5.318 1.00 0.00 H new ATOM 0 HB2 GLN C 58 69.284 8.977 6.469 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.127 7.945 7.877 1.00 0.00 H new ATOM 0 HG2 GLN C 58 70.044 6.656 5.305 1.00 0.00 H new ATOM 0 HG3 GLN C 58 71.189 7.684 6.145 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.261 4.693 5.862 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.246 4.065 7.513 1.00 0.00 H new ATOM 903 N GLU C 59 66.427 6.979 8.183 1.00 0.00 N ATOM 904 CA GLU C 59 65.769 6.111 9.200 1.00 0.00 C ATOM 905 C GLU C 59 65.062 4.935 8.521 1.00 0.00 C ATOM 906 O GLU C 59 65.214 3.795 8.916 1.00 0.00 O ATOM 907 CB GLU C 59 64.750 7.017 9.892 1.00 0.00 C ATOM 908 CG GLU C 59 64.677 6.665 11.378 1.00 0.00 C ATOM 909 CD GLU C 59 65.420 7.724 12.193 1.00 0.00 C ATOM 910 OE1 GLU C 59 66.625 7.828 12.034 1.00 0.00 O ATOM 911 OE2 GLU C 59 64.772 8.415 12.961 1.00 0.00 O ATOM 0 H GLU C 59 66.244 7.977 8.283 1.00 0.00 H new ATOM 0 HA GLU C 59 66.486 5.686 9.903 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.035 8.062 9.769 1.00 0.00 H new ATOM 0 HB3 GLU C 59 63.770 6.897 9.431 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.637 6.609 11.698 1.00 0.00 H new ATOM 0 HG3 GLU C 59 65.117 5.683 11.552 1.00 0.00 H new ATOM 918 N MET C 60 64.289 5.201 7.505 1.00 0.00 N ATOM 919 CA MET C 60 63.571 4.098 6.806 1.00 0.00 C ATOM 920 C MET C 60 64.560 3.014 6.369 1.00 0.00 C ATOM 921 O MET C 60 64.269 1.836 6.427 1.00 0.00 O ATOM 922 CB MET C 60 62.923 4.754 5.588 1.00 0.00 C ATOM 923 CG MET C 60 61.410 4.837 5.797 1.00 0.00 C ATOM 924 SD MET C 60 60.934 6.561 6.068 1.00 0.00 S ATOM 925 CE MET C 60 60.765 7.024 4.328 1.00 0.00 C ATOM 0 H MET C 60 64.123 6.134 7.128 1.00 0.00 H new ATOM 0 HA MET C 60 62.835 3.615 7.448 1.00 0.00 H new ATOM 0 HB2 MET C 60 63.335 5.752 5.437 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.146 4.178 4.690 1.00 0.00 H new ATOM 0 HG2 MET C 60 60.889 4.437 4.927 1.00 0.00 H new ATOM 0 HG3 MET C 60 61.116 4.228 6.652 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.471 8.071 4.257 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.718 6.880 3.819 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.004 6.401 3.858 1.00 0.00 H new ATOM 935 N ILE C 61 65.726 3.402 5.934 1.00 0.00 N ATOM 936 CA ILE C 61 66.729 2.389 5.497 1.00 0.00 C ATOM 937 C ILE C 61 67.277 1.637 6.713 1.00 0.00 C ATOM 938 O ILE C 61 67.623 0.477 6.630 1.00 0.00 O ATOM 939 CB ILE C 61 67.836 3.196 4.816 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.372 3.609 3.418 1.00 0.00 C ATOM 941 CG2 ILE C 61 69.104 2.346 4.697 1.00 0.00 C ATOM 942 CD1 ILE C 61 66.742 5.000 3.482 1.00 0.00 C ATOM 0 H ILE C 61 66.028 4.374 5.862 1.00 0.00 H new ATOM 0 HA ILE C 61 66.303 1.642 4.827 1.00 0.00 H new ATOM 0 HB ILE C 61 68.053 4.082 5.412 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.216 3.612 2.729 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.650 2.888 3.035 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.888 2.927 4.211 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.437 2.048 5.691 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.891 1.457 4.104 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.411 5.296 2.486 1.00 0.00 H new ATOM 0 HD12 ILE C 61 65.887 4.982 4.158 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.478 5.716 3.847 1.00 0.00 H new ATOM 954 N ASP C 62 67.358 2.291 7.839 1.00 0.00 N ATOM 955 CA ASP C 62 67.888 1.613 9.059 1.00 0.00 C ATOM 956 C ASP C 62 66.767 0.858 9.781 1.00 0.00 C ATOM 957 O ASP C 62 66.985 -0.182 10.367 1.00 0.00 O ATOM 958 CB ASP C 62 68.422 2.744 9.938 1.00 0.00 C ATOM 959 CG ASP C 62 69.139 2.154 11.154 1.00 0.00 C ATOM 960 OD1 ASP C 62 68.508 1.405 11.882 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.304 2.464 11.338 1.00 0.00 O ATOM 0 H ASP C 62 67.081 3.264 7.968 1.00 0.00 H new ATOM 0 HA ASP C 62 68.659 0.880 8.820 1.00 0.00 H new ATOM 0 HB2 ASP C 62 69.108 3.369 9.367 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.602 3.385 10.262 1.00 0.00 H new ATOM 966 N GLU C 63 65.569 1.376 9.745 1.00 0.00 N ATOM 967 CA GLU C 63 64.440 0.688 10.433 1.00 0.00 C ATOM 968 C GLU C 63 64.369 -0.781 10.006 1.00 0.00 C ATOM 969 O GLU C 63 63.871 -1.624 10.725 1.00 0.00 O ATOM 970 CB GLU C 63 63.185 1.437 9.984 1.00 0.00 C ATOM 971 CG GLU C 63 62.823 2.498 11.026 1.00 0.00 C ATOM 972 CD GLU C 63 62.104 1.836 12.202 1.00 0.00 C ATOM 973 OE1 GLU C 63 62.544 0.778 12.621 1.00 0.00 O ATOM 974 OE2 GLU C 63 61.124 2.398 12.663 1.00 0.00 O ATOM 0 H GLU C 63 65.324 2.245 9.270 1.00 0.00 H new ATOM 0 HA GLU C 63 64.555 0.696 11.517 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.356 1.907 9.015 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.358 0.739 9.858 1.00 0.00 H new ATOM 0 HG2 GLU C 63 63.724 3.002 11.375 1.00 0.00 H new ATOM 0 HG3 GLU C 63 62.185 3.259 10.578 1.00 0.00 H new ATOM 981 N VAL C 64 64.862 -1.094 8.837 1.00 0.00 N ATOM 982 CA VAL C 64 64.817 -2.508 8.368 1.00 0.00 C ATOM 983 C VAL C 64 66.197 -2.953 7.873 1.00 0.00 C ATOM 984 O VAL C 64 66.313 -3.700 6.922 1.00 0.00 O ATOM 985 CB VAL C 64 63.811 -2.511 7.218 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.419 -2.175 7.755 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.222 -1.464 6.180 1.00 0.00 C ATOM 0 H VAL C 64 65.292 -0.434 8.189 1.00 0.00 H new ATOM 0 HA VAL C 64 64.532 -3.195 9.165 1.00 0.00 H new ATOM 0 HB VAL C 64 63.793 -3.497 6.755 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.702 -2.177 6.934 1.00 0.00 H new ATOM 0 HG12 VAL C 64 62.125 -2.919 8.495 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.436 -1.189 8.219 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.505 -1.465 5.359 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.240 -0.478 6.645 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.214 -1.702 5.796 1.00 0.00 H new ATOM 997 N ASP C 65 67.243 -2.501 8.510 1.00 0.00 N ATOM 998 CA ASP C 65 68.611 -2.902 8.071 1.00 0.00 C ATOM 999 C ASP C 65 69.368 -3.559 9.229 1.00 0.00 C ATOM 1000 O ASP C 65 70.096 -2.911 9.955 1.00 0.00 O ATOM 1001 CB ASP C 65 69.294 -1.600 7.654 1.00 0.00 C ATOM 1002 CG ASP C 65 69.492 -1.590 6.138 1.00 0.00 C ATOM 1003 OD1 ASP C 65 68.728 -2.252 5.456 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.407 -0.921 5.684 1.00 0.00 O ATOM 0 H ASP C 65 67.210 -1.873 9.313 1.00 0.00 H new ATOM 0 HA ASP C 65 68.586 -3.626 7.257 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.689 -0.746 7.958 1.00 0.00 H new ATOM 0 HB3 ASP C 65 70.256 -1.504 8.158 1.00 0.00 H new ATOM 1009 N GLU C 66 69.207 -4.842 9.405 1.00 0.00 N ATOM 1010 CA GLU C 66 69.923 -5.537 10.513 1.00 0.00 C ATOM 1011 C GLU C 66 71.290 -6.024 10.028 1.00 0.00 C ATOM 1012 O GLU C 66 71.822 -7.002 10.516 1.00 0.00 O ATOM 1013 CB GLU C 66 69.033 -6.726 10.882 1.00 0.00 C ATOM 1014 CG GLU C 66 69.735 -7.579 11.940 1.00 0.00 C ATOM 1015 CD GLU C 66 68.756 -7.898 13.072 1.00 0.00 C ATOM 1016 OE1 GLU C 66 67.741 -8.514 12.794 1.00 0.00 O ATOM 1017 OE2 GLU C 66 69.040 -7.522 14.197 1.00 0.00 O ATOM 0 H GLU C 66 68.612 -5.439 8.831 1.00 0.00 H new ATOM 0 HA GLU C 66 70.098 -4.882 11.366 1.00 0.00 H new ATOM 0 HB2 GLU C 66 68.074 -6.372 11.262 1.00 0.00 H new ATOM 0 HB3 GLU C 66 68.823 -7.326 9.996 1.00 0.00 H new ATOM 0 HG2 GLU C 66 70.103 -8.502 11.492 1.00 0.00 H new ATOM 0 HG3 GLU C 66 70.602 -7.048 12.334 1.00 0.00 H new ATOM 1024 N ASP C 67 71.860 -5.352 9.066 1.00 0.00 N ATOM 1025 CA ASP C 67 73.190 -5.779 8.544 1.00 0.00 C ATOM 1026 C ASP C 67 74.186 -4.620 8.630 1.00 0.00 C ATOM 1027 O ASP C 67 75.384 -4.820 8.674 1.00 0.00 O ATOM 1028 CB ASP C 67 72.946 -6.167 7.081 1.00 0.00 C ATOM 1029 CG ASP C 67 71.598 -6.882 6.946 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.437 -7.924 7.561 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.749 -6.373 6.232 1.00 0.00 O ATOM 0 H ASP C 67 71.463 -4.526 8.619 1.00 0.00 H new ATOM 0 HA ASP C 67 73.609 -6.606 9.117 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.959 -5.276 6.453 1.00 0.00 H new ATOM 0 HB3 ASP C 67 73.748 -6.816 6.730 1.00 0.00 H new ATOM 1036 N GLY C 68 73.702 -3.409 8.650 1.00 0.00 N ATOM 1037 CA GLY C 68 74.620 -2.240 8.729 1.00 0.00 C ATOM 1038 C GLY C 68 75.127 -1.897 7.328 1.00 0.00 C ATOM 1039 O GLY C 68 76.044 -1.117 7.162 1.00 0.00 O ATOM 0 H GLY C 68 72.709 -3.179 8.615 1.00 0.00 H new ATOM 0 HA2 GLY C 68 74.100 -1.384 9.159 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.460 -2.467 9.386 1.00 0.00 H new ATOM 1043 N SER C 69 74.537 -2.475 6.317 1.00 0.00 N ATOM 1044 CA SER C 69 74.984 -2.185 4.924 1.00 0.00 C ATOM 1045 C SER C 69 74.480 -0.808 4.482 1.00 0.00 C ATOM 1046 O SER C 69 74.805 -0.332 3.411 1.00 0.00 O ATOM 1047 CB SER C 69 74.352 -3.285 4.071 1.00 0.00 C ATOM 1048 OG SER C 69 72.936 -3.180 4.143 1.00 0.00 O ATOM 0 H SER C 69 73.764 -3.136 6.395 1.00 0.00 H new ATOM 0 HA SER C 69 76.070 -2.169 4.833 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.683 -3.194 3.036 1.00 0.00 H new ATOM 0 HB3 SER C 69 74.674 -4.265 4.424 1.00 0.00 H new ATOM 0 HG SER C 69 72.596 -2.776 3.318 1.00 0.00 H new ATOM 1054 N GLY C 70 73.688 -0.165 5.295 1.00 0.00 N ATOM 1055 CA GLY C 70 73.165 1.178 4.918 1.00 0.00 C ATOM 1056 C GLY C 70 72.303 1.057 3.660 1.00 0.00 C ATOM 1057 O GLY C 70 72.031 2.030 2.986 1.00 0.00 O ATOM 0 H GLY C 70 73.381 -0.511 6.204 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.576 1.593 5.736 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.992 1.865 4.740 1.00 0.00 H new ATOM 1061 N THR C 71 71.871 -0.132 3.337 1.00 0.00 N ATOM 1062 CA THR C 71 71.027 -0.310 2.120 1.00 0.00 C ATOM 1063 C THR C 71 69.877 -1.280 2.406 1.00 0.00 C ATOM 1064 O THR C 71 69.866 -1.971 3.406 1.00 0.00 O ATOM 1065 CB THR C 71 71.971 -0.892 1.065 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.743 -1.935 1.644 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.901 0.207 0.549 1.00 0.00 C ATOM 0 H THR C 71 72.065 -0.985 3.861 1.00 0.00 H new ATOM 0 HA THR C 71 70.575 0.626 1.792 1.00 0.00 H new ATOM 0 HB THR C 71 71.387 -1.291 0.235 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.347 -2.309 0.968 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.573 -0.208 -0.202 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.308 1.006 0.104 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.486 0.607 1.377 1.00 0.00 H new ATOM 1075 N VAL C 72 68.908 -1.336 1.532 1.00 0.00 N ATOM 1076 CA VAL C 72 67.756 -2.259 1.751 1.00 0.00 C ATOM 1077 C VAL C 72 67.600 -3.204 0.554 1.00 0.00 C ATOM 1078 O VAL C 72 67.833 -2.830 -0.578 1.00 0.00 O ATOM 1079 CB VAL C 72 66.535 -1.345 1.877 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.257 -2.177 1.755 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.561 -0.651 3.240 1.00 0.00 C ATOM 0 H VAL C 72 68.864 -0.783 0.676 1.00 0.00 H new ATOM 0 HA VAL C 72 67.889 -2.885 2.633 1.00 0.00 H new ATOM 0 HB VAL C 72 66.557 -0.597 1.084 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.388 -1.525 1.845 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.238 -2.675 0.786 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.233 -2.925 2.548 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.692 0.001 3.333 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.538 -1.401 4.031 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.471 -0.058 3.329 1.00 0.00 H new ATOM 1091 N ASP C 73 67.208 -4.426 0.796 1.00 0.00 N ATOM 1092 CA ASP C 73 67.040 -5.392 -0.330 1.00 0.00 C ATOM 1093 C ASP C 73 65.574 -5.812 -0.454 1.00 0.00 C ATOM 1094 O ASP C 73 64.725 -5.371 0.297 1.00 0.00 O ATOM 1095 CB ASP C 73 67.912 -6.591 0.043 1.00 0.00 C ATOM 1096 CG ASP C 73 68.701 -7.048 -1.186 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.107 -7.135 -2.249 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.885 -7.303 -1.044 1.00 0.00 O ATOM 0 H ASP C 73 66.997 -4.797 1.722 1.00 0.00 H new ATOM 0 HA ASP C 73 67.328 -4.961 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP C 73 68.596 -6.321 0.848 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.290 -7.406 0.413 1.00 0.00 H new ATOM 1103 N PHE C 74 65.268 -6.660 -1.398 1.00 0.00 N ATOM 1104 CA PHE C 74 63.855 -7.105 -1.569 1.00 0.00 C ATOM 1105 C PHE C 74 63.386 -7.864 -0.326 1.00 0.00 C ATOM 1106 O PHE C 74 62.212 -8.124 -0.153 1.00 0.00 O ATOM 1107 CB PHE C 74 63.873 -8.028 -2.788 1.00 0.00 C ATOM 1108 CG PHE C 74 62.480 -8.559 -3.038 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.565 -7.803 -3.781 1.00 0.00 C ATOM 1110 CD2 PHE C 74 62.104 -9.807 -2.528 1.00 0.00 C ATOM 1111 CE1 PHE C 74 60.276 -8.295 -4.014 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.814 -10.301 -2.760 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.900 -9.544 -3.504 1.00 0.00 C ATOM 0 H PHE C 74 65.934 -7.063 -2.057 1.00 0.00 H new ATOM 0 HA PHE C 74 63.172 -6.267 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE C 74 64.229 -7.485 -3.663 1.00 0.00 H new ATOM 0 HB3 PHE C 74 64.564 -8.854 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.854 -6.840 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.810 -10.390 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.571 -7.711 -4.587 1.00 0.00 H new ATOM 0 HE2 PHE C 74 60.525 -11.264 -2.366 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.905 -9.924 -3.684 1.00 0.00 H new ATOM 1123 N ASP C 75 64.294 -8.221 0.543 1.00 0.00 N ATOM 1124 CA ASP C 75 63.891 -8.962 1.773 1.00 0.00 C ATOM 1125 C ASP C 75 63.620 -7.976 2.917 1.00 0.00 C ATOM 1126 O ASP C 75 62.739 -8.178 3.729 1.00 0.00 O ATOM 1127 CB ASP C 75 65.078 -9.876 2.101 1.00 0.00 C ATOM 1128 CG ASP C 75 66.163 -9.087 2.841 1.00 0.00 C ATOM 1129 OD1 ASP C 75 66.499 -8.008 2.382 1.00 0.00 O ATOM 1130 OD2 ASP C 75 66.635 -9.576 3.854 1.00 0.00 O ATOM 0 H ASP C 75 65.293 -8.033 0.455 1.00 0.00 H new ATOM 0 HA ASP C 75 62.975 -9.536 1.631 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.744 -10.713 2.715 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.487 -10.298 1.183 1.00 0.00 H new ATOM 1135 N GLU C 76 64.368 -6.908 2.980 1.00 0.00 N ATOM 1136 CA GLU C 76 64.151 -5.907 4.066 1.00 0.00 C ATOM 1137 C GLU C 76 62.996 -4.972 3.693 1.00 0.00 C ATOM 1138 O GLU C 76 62.348 -4.398 4.546 1.00 0.00 O ATOM 1139 CB GLU C 76 65.464 -5.127 4.152 1.00 0.00 C ATOM 1140 CG GLU C 76 66.463 -5.896 5.018 1.00 0.00 C ATOM 1141 CD GLU C 76 67.788 -5.132 5.066 1.00 0.00 C ATOM 1142 OE1 GLU C 76 68.055 -4.387 4.137 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.514 -5.306 6.031 1.00 0.00 O ATOM 0 H GLU C 76 65.120 -6.685 2.328 1.00 0.00 H new ATOM 0 HA GLU C 76 63.891 -6.374 5.016 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.874 -4.975 3.154 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.285 -4.139 4.576 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.066 -6.022 6.025 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.621 -6.895 4.611 1.00 0.00 H new ATOM 1150 N PHE C 77 62.737 -4.818 2.424 1.00 0.00 N ATOM 1151 CA PHE C 77 61.626 -3.923 1.988 1.00 0.00 C ATOM 1152 C PHE C 77 60.274 -4.561 2.318 1.00 0.00 C ATOM 1153 O PHE C 77 59.435 -3.961 2.960 1.00 0.00 O ATOM 1154 CB PHE C 77 61.804 -3.786 0.476 1.00 0.00 C ATOM 1155 CG PHE C 77 60.681 -2.953 -0.094 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.719 -1.559 0.017 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.604 -3.576 -0.735 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.679 -0.786 -0.515 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.564 -2.804 -1.266 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.601 -1.408 -1.156 1.00 0.00 C ATOM 0 H PHE C 77 63.247 -5.274 1.668 1.00 0.00 H new ATOM 0 HA PHE C 77 61.649 -2.956 2.490 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.764 -3.321 0.254 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.812 -4.771 0.010 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.550 -1.079 0.513 1.00 0.00 H new ATOM 0 HD2 PHE C 77 59.575 -4.652 -0.820 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.709 0.290 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE C 77 57.733 -3.285 -1.761 1.00 0.00 H new ATOM 0 HZ PHE C 77 57.799 -0.812 -1.565 1.00 0.00 H new ATOM 1170 N LEU C 78 60.055 -5.772 1.886 1.00 0.00 N ATOM 1171 CA LEU C 78 58.756 -6.441 2.183 1.00 0.00 C ATOM 1172 C LEU C 78 58.378 -6.211 3.648 1.00 0.00 C ATOM 1173 O LEU C 78 57.222 -6.043 3.982 1.00 0.00 O ATOM 1174 CB LEU C 78 59.002 -7.925 1.917 1.00 0.00 C ATOM 1175 CG LEU C 78 58.613 -8.254 0.475 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.252 -9.581 0.062 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.090 -8.369 0.373 1.00 0.00 C ATOM 0 H LEU C 78 60.716 -6.326 1.342 1.00 0.00 H new ATOM 0 HA LEU C 78 57.939 -6.053 1.575 1.00 0.00 H new ATOM 0 HB2 LEU C 78 60.051 -8.167 2.087 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.419 -8.532 2.610 1.00 0.00 H new ATOM 0 HG LEU C 78 58.965 -7.461 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.974 -9.814 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.337 -9.501 0.135 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.901 -10.375 0.722 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.811 -8.603 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.740 -9.162 1.034 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.633 -7.424 0.666 1.00 0.00 H new ATOM 1189 N VAL C 79 59.346 -6.197 4.521 1.00 0.00 N ATOM 1190 CA VAL C 79 59.046 -5.972 5.963 1.00 0.00 C ATOM 1191 C VAL C 79 58.711 -4.498 6.203 1.00 0.00 C ATOM 1192 O VAL C 79 57.661 -4.166 6.718 1.00 0.00 O ATOM 1193 CB VAL C 79 60.327 -6.359 6.700 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.174 -6.047 8.189 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.587 -7.856 6.519 1.00 0.00 C ATOM 0 H VAL C 79 60.332 -6.332 4.299 1.00 0.00 H new ATOM 0 HA VAL C 79 58.191 -6.554 6.305 1.00 0.00 H new ATOM 0 HB VAL C 79 61.164 -5.792 6.294 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.088 -6.323 8.714 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.988 -4.981 8.320 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.336 -6.614 8.595 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.501 -8.133 7.045 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.749 -8.423 6.925 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.697 -8.081 5.458 1.00 0.00 H new ATOM 1205 N MET C 80 59.591 -3.611 5.827 1.00 0.00 N ATOM 1206 CA MET C 80 59.320 -2.159 6.030 1.00 0.00 C ATOM 1207 C MET C 80 57.907 -1.816 5.550 1.00 0.00 C ATOM 1208 O MET C 80 57.236 -0.974 6.114 1.00 0.00 O ATOM 1209 CB MET C 80 60.366 -1.437 5.179 1.00 0.00 C ATOM 1210 CG MET C 80 60.457 0.027 5.614 1.00 0.00 C ATOM 1211 SD MET C 80 62.073 0.697 5.150 1.00 0.00 S ATOM 1212 CE MET C 80 61.549 1.523 3.626 1.00 0.00 C ATOM 0 H MET C 80 60.486 -3.828 5.388 1.00 0.00 H new ATOM 0 HA MET C 80 59.380 -1.869 7.079 1.00 0.00 H new ATOM 0 HB2 MET C 80 61.336 -1.921 5.289 1.00 0.00 H new ATOM 0 HB3 MET C 80 60.097 -1.498 4.124 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.663 0.607 5.144 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.315 0.106 6.692 1.00 0.00 H new ATOM 0 HE1 MET C 80 62.406 2.013 3.164 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.137 0.787 2.936 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.788 2.268 3.859 1.00 0.00 H new ATOM 1222 N MET C 81 57.447 -2.466 4.516 1.00 0.00 N ATOM 1223 CA MET C 81 56.074 -2.180 4.007 1.00 0.00 C ATOM 1224 C MET C 81 55.036 -2.747 4.977 1.00 0.00 C ATOM 1225 O MET C 81 54.081 -2.088 5.338 1.00 0.00 O ATOM 1226 CB MET C 81 55.991 -2.894 2.657 1.00 0.00 C ATOM 1227 CG MET C 81 56.730 -2.076 1.596 1.00 0.00 C ATOM 1228 SD MET C 81 55.593 -0.876 0.859 1.00 0.00 S ATOM 1229 CE MET C 81 56.486 0.617 1.353 1.00 0.00 C ATOM 0 H MET C 81 57.961 -3.182 4.002 1.00 0.00 H new ATOM 0 HA MET C 81 55.880 -1.112 3.911 1.00 0.00 H new ATOM 0 HB2 MET C 81 56.429 -3.889 2.733 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.948 -3.026 2.368 1.00 0.00 H new ATOM 0 HG2 MET C 81 57.579 -1.560 2.045 1.00 0.00 H new ATOM 0 HG3 MET C 81 57.129 -2.736 0.826 1.00 0.00 H new ATOM 0 HE1 MET C 81 55.951 1.496 0.995 1.00 0.00 H new ATOM 0 HE2 MET C 81 56.559 0.654 2.440 1.00 0.00 H new ATOM 0 HE3 MET C 81 57.487 0.601 0.922 1.00 0.00 H new ATOM 1239 N VAL C 82 55.221 -3.966 5.408 1.00 0.00 N ATOM 1240 CA VAL C 82 54.252 -4.576 6.360 1.00 0.00 C ATOM 1241 C VAL C 82 54.048 -3.645 7.555 1.00 0.00 C ATOM 1242 O VAL C 82 52.947 -3.455 8.032 1.00 0.00 O ATOM 1243 CB VAL C 82 54.908 -5.881 6.807 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.925 -6.681 7.664 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.299 -6.703 5.579 1.00 0.00 C ATOM 0 H VAL C 82 56.002 -4.565 5.141 1.00 0.00 H new ATOM 0 HA VAL C 82 53.274 -4.746 5.910 1.00 0.00 H new ATOM 0 HB VAL C 82 55.799 -5.656 7.392 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.394 -7.612 7.982 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.647 -6.096 8.541 1.00 0.00 H new ATOM 0 HG13 VAL C 82 53.032 -6.906 7.080 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.767 -7.634 5.898 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.408 -6.927 4.993 1.00 0.00 H new ATOM 0 HG23 VAL C 82 56.001 -6.135 4.969 1.00 0.00 H new ATOM 1255 N ARG C 83 55.109 -3.063 8.041 1.00 0.00 N ATOM 1256 CA ARG C 83 54.990 -2.141 9.206 1.00 0.00 C ATOM 1257 C ARG C 83 53.933 -1.070 8.926 1.00 0.00 C ATOM 1258 O ARG C 83 53.265 -0.594 9.822 1.00 0.00 O ATOM 1259 CB ARG C 83 56.372 -1.502 9.346 1.00 0.00 C ATOM 1260 CG ARG C 83 57.422 -2.592 9.561 1.00 0.00 C ATOM 1261 CD ARG C 83 58.548 -2.047 10.442 1.00 0.00 C ATOM 1262 NE ARG C 83 59.326 -1.138 9.553 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.061 0.140 9.536 1.00 0.00 C ATOM 1264 NH1 ARG C 83 59.388 0.889 10.552 1.00 0.00 N ATOM 1265 NH2 ARG C 83 58.469 0.669 8.500 1.00 0.00 N ATOM 0 H ARG C 83 56.055 -3.186 7.681 1.00 0.00 H new ATOM 0 HA ARG C 83 54.685 -2.660 10.114 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.609 -0.926 8.452 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.379 -0.806 10.185 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.966 -3.463 10.032 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.822 -2.921 8.602 1.00 0.00 H new ATOM 0 HD2 ARG C 83 58.151 -1.511 11.304 1.00 0.00 H new ATOM 0 HD3 ARG C 83 59.173 -2.853 10.827 1.00 0.00 H new ATOM 0 HE ARG C 83 60.065 -1.514 8.959 1.00 0.00 H new ATOM 0 HH11 ARG C 83 59.852 0.476 11.361 1.00 0.00 H new ATOM 0 HH12 ARG C 83 59.180 1.888 10.537 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.214 0.084 7.705 1.00 0.00 H new ATOM 0 HH22 ARG C 83 58.262 1.668 8.486 1.00 0.00 H new ATOM 1279 N CYS C 84 53.779 -0.685 7.688 1.00 0.00 N ATOM 1280 CA CYS C 84 52.768 0.357 7.350 1.00 0.00 C ATOM 1281 C CYS C 84 51.643 -0.246 6.505 1.00 0.00 C ATOM 1282 O CYS C 84 51.369 0.200 5.409 1.00 0.00 O ATOM 1283 CB CYS C 84 53.536 1.408 6.546 1.00 0.00 C ATOM 1284 SG CYS C 84 54.195 0.651 5.041 1.00 0.00 S ATOM 0 H CYS C 84 54.310 -1.047 6.896 1.00 0.00 H new ATOM 0 HA CYS C 84 52.302 0.781 8.239 1.00 0.00 H new ATOM 0 HB2 CYS C 84 52.878 2.238 6.290 1.00 0.00 H new ATOM 0 HB3 CYS C 84 54.349 1.818 7.146 1.00 0.00 H new ATOM 0 HG CYS C 84 53.925 -0.621 5.041 1.00 0.00 H new ATOM 1290 N MET C 85 50.985 -1.256 7.007 1.00 0.00 N ATOM 1291 CA MET C 85 49.874 -1.880 6.232 1.00 0.00 C ATOM 1292 C MET C 85 48.586 -1.078 6.432 1.00 0.00 C ATOM 1293 O MET C 85 48.601 0.008 6.978 1.00 0.00 O ATOM 1294 CB MET C 85 49.728 -3.287 6.813 1.00 0.00 C ATOM 1295 CG MET C 85 50.551 -4.273 5.982 1.00 0.00 C ATOM 1296 SD MET C 85 49.484 -5.060 4.750 1.00 0.00 S ATOM 1297 CE MET C 85 49.710 -3.836 3.437 1.00 0.00 C ATOM 0 H MET C 85 51.168 -1.675 7.919 1.00 0.00 H new ATOM 0 HA MET C 85 50.074 -1.903 5.161 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.064 -3.300 7.850 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.679 -3.584 6.814 1.00 0.00 H new ATOM 0 HG2 MET C 85 51.372 -3.753 5.489 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.996 -5.029 6.630 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.614 -4.322 2.466 1.00 0.00 H new ATOM 0 HE2 MET C 85 48.952 -3.059 3.530 1.00 0.00 H new ATOM 0 HE3 MET C 85 50.700 -3.389 3.523 1.00 0.00 H new ATOM 1411 N SER I 3 53.954 7.639 4.310 1.00 0.00 N ATOM 1412 CA SER I 3 52.590 7.064 4.125 1.00 0.00 C ATOM 1413 C SER I 3 52.659 5.800 3.264 1.00 0.00 C ATOM 1414 O SER I 3 53.716 5.398 2.818 1.00 0.00 O ATOM 1415 CB SER I 3 51.794 8.156 3.415 1.00 0.00 C ATOM 1416 OG SER I 3 51.318 9.091 4.375 1.00 0.00 O ATOM 0 HA SER I 3 52.131 6.776 5.071 1.00 0.00 H new ATOM 0 HB2 SER I 3 52.422 8.660 2.680 1.00 0.00 H new ATOM 0 HB3 SER I 3 50.957 7.717 2.872 1.00 0.00 H new ATOM 0 HG SER I 3 50.808 9.794 3.922 1.00 0.00 H new ATOM 1422 N ALA I 4 51.541 5.170 3.029 1.00 0.00 N ATOM 1423 CA ALA I 4 51.544 3.930 2.198 1.00 0.00 C ATOM 1424 C ALA I 4 50.624 4.102 0.986 1.00 0.00 C ATOM 1425 O ALA I 4 50.790 3.451 -0.027 1.00 0.00 O ATOM 1426 CB ALA I 4 51.014 2.835 3.123 1.00 0.00 C ATOM 0 H ALA I 4 50.626 5.459 3.375 1.00 0.00 H new ATOM 0 HA ALA I 4 52.535 3.694 1.811 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.985 1.887 2.585 1.00 0.00 H new ATOM 0 HB2 ALA I 4 51.670 2.741 3.989 1.00 0.00 H new ATOM 0 HB3 ALA I 4 50.009 3.095 3.455 1.00 0.00 H new ATOM 1432 N ASP I 5 49.656 4.970 1.079 1.00 0.00 N ATOM 1433 CA ASP I 5 48.727 5.177 -0.069 1.00 0.00 C ATOM 1434 C ASP I 5 49.339 6.155 -1.077 1.00 0.00 C ATOM 1435 O ASP I 5 49.398 5.886 -2.260 1.00 0.00 O ATOM 1436 CB ASP I 5 47.457 5.763 0.547 1.00 0.00 C ATOM 1437 CG ASP I 5 46.432 4.646 0.765 1.00 0.00 C ATOM 1438 OD1 ASP I 5 46.663 3.554 0.274 1.00 0.00 O ATOM 1439 OD2 ASP I 5 45.434 4.904 1.419 1.00 0.00 O ATOM 0 H ASP I 5 49.467 5.545 1.900 1.00 0.00 H new ATOM 0 HA ASP I 5 48.526 4.252 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.690 6.247 1.495 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.042 6.529 -0.108 1.00 0.00 H new ATOM 1444 N ALA I 6 49.795 7.290 -0.619 1.00 0.00 N ATOM 1445 CA ALA I 6 50.402 8.283 -1.554 1.00 0.00 C ATOM 1446 C ALA I 6 51.711 7.737 -2.130 1.00 0.00 C ATOM 1447 O ALA I 6 52.075 8.024 -3.253 1.00 0.00 O ATOM 1448 CB ALA I 6 50.668 9.523 -0.701 1.00 0.00 C ATOM 0 H ALA I 6 49.774 7.573 0.361 1.00 0.00 H new ATOM 0 HA ALA I 6 49.751 8.503 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.116 10.301 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA I 6 49.729 9.886 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.350 9.267 0.110 1.00 0.00 H new ATOM 1454 N MET I 7 52.426 6.954 -1.368 1.00 0.00 N ATOM 1455 CA MET I 7 53.711 6.394 -1.874 1.00 0.00 C ATOM 1456 C MET I 7 53.503 5.754 -3.250 1.00 0.00 C ATOM 1457 O MET I 7 54.367 5.802 -4.103 1.00 0.00 O ATOM 1458 CB MET I 7 54.118 5.341 -0.843 1.00 0.00 C ATOM 1459 CG MET I 7 55.642 5.288 -0.742 1.00 0.00 C ATOM 1460 SD MET I 7 56.233 3.693 -1.363 1.00 0.00 S ATOM 1461 CE MET I 7 56.756 4.266 -2.998 1.00 0.00 C ATOM 0 H MET I 7 52.176 6.678 -0.418 1.00 0.00 H new ATOM 0 HA MET I 7 54.478 7.159 -1.995 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.687 5.582 0.129 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.728 4.365 -1.131 1.00 0.00 H new ATOM 0 HG2 MET I 7 56.084 6.101 -1.318 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.954 5.425 0.293 1.00 0.00 H new ATOM 0 HE1 MET I 7 56.280 3.657 -3.766 1.00 0.00 H new ATOM 0 HE2 MET I 7 56.465 5.308 -3.129 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.839 4.179 -3.085 1.00 0.00 H new ATOM 1471 N MET I 8 52.363 5.159 -3.474 1.00 0.00 N ATOM 1472 CA MET I 8 52.103 4.519 -4.796 1.00 0.00 C ATOM 1473 C MET I 8 51.655 5.574 -5.812 1.00 0.00 C ATOM 1474 O MET I 8 52.025 5.535 -6.969 1.00 0.00 O ATOM 1475 CB MET I 8 50.981 3.514 -4.539 1.00 0.00 C ATOM 1476 CG MET I 8 51.587 2.162 -4.163 1.00 0.00 C ATOM 1477 SD MET I 8 52.152 2.210 -2.444 1.00 0.00 S ATOM 1478 CE MET I 8 53.907 2.485 -2.788 1.00 0.00 C ATOM 0 H MET I 8 51.601 5.088 -2.800 1.00 0.00 H new ATOM 0 HA MET I 8 52.992 4.039 -5.204 1.00 0.00 H new ATOM 0 HB2 MET I 8 50.335 3.871 -3.737 1.00 0.00 H new ATOM 0 HB3 MET I 8 50.359 3.412 -5.428 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.847 1.372 -4.292 1.00 0.00 H new ATOM 0 HG3 MET I 8 52.421 1.929 -4.825 1.00 0.00 H new ATOM 0 HE1 MET I 8 54.490 2.285 -1.889 1.00 0.00 H new ATOM 0 HE2 MET I 8 54.230 1.817 -3.586 1.00 0.00 H new ATOM 0 HE3 MET I 8 54.060 3.519 -3.096 1.00 0.00 H new ATOM 1488 N GLN I 9 50.859 6.515 -5.387 1.00 0.00 N ATOM 1489 CA GLN I 9 50.384 7.574 -6.324 1.00 0.00 C ATOM 1490 C GLN I 9 51.422 8.694 -6.421 1.00 0.00 C ATOM 1491 O GLN I 9 51.278 9.622 -7.192 1.00 0.00 O ATOM 1492 CB GLN I 9 49.086 8.094 -5.704 1.00 0.00 C ATOM 1493 CG GLN I 9 48.109 8.481 -6.815 1.00 0.00 C ATOM 1494 CD GLN I 9 47.437 7.222 -7.367 1.00 0.00 C ATOM 1495 OE1 GLN I 9 47.610 6.882 -8.521 1.00 0.00 O ATOM 1496 NE2 GLN I 9 46.671 6.510 -6.586 1.00 0.00 N ATOM 0 H GLN I 9 50.516 6.598 -4.430 1.00 0.00 H new ATOM 0 HA GLN I 9 50.230 7.197 -7.335 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.643 7.329 -5.066 1.00 0.00 H new ATOM 0 HB3 GLN I 9 49.293 8.957 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.356 9.168 -6.428 1.00 0.00 H new ATOM 0 HG3 GLN I 9 48.637 9.003 -7.613 1.00 0.00 H new ATOM 0 HE21 GLN I 9 46.525 6.794 -5.617 1.00 0.00 H new ATOM 0 HE22 GLN I 9 46.218 5.669 -6.944 1.00 0.00 H new ATOM 1505 N ALA I 10 52.466 8.619 -5.641 1.00 0.00 N ATOM 1506 CA ALA I 10 53.510 9.683 -5.686 1.00 0.00 C ATOM 1507 C ALA I 10 54.485 9.433 -6.841 1.00 0.00 C ATOM 1508 O ALA I 10 54.855 10.343 -7.557 1.00 0.00 O ATOM 1509 CB ALA I 10 54.235 9.582 -4.343 1.00 0.00 C ATOM 0 H ALA I 10 52.641 7.867 -4.974 1.00 0.00 H new ATOM 0 HA ALA I 10 53.080 10.671 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA I 10 55.022 10.335 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA I 10 53.525 9.749 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA I 10 54.675 8.590 -4.241 1.00 0.00 H new ATOM 1515 N LEU I 11 54.910 8.213 -7.025 1.00 0.00 N ATOM 1516 CA LEU I 11 55.867 7.921 -8.133 1.00 0.00 C ATOM 1517 C LEU I 11 55.609 6.533 -8.721 1.00 0.00 C ATOM 1518 O LEU I 11 56.397 6.020 -9.490 1.00 0.00 O ATOM 1519 CB LEU I 11 57.250 7.973 -7.484 1.00 0.00 C ATOM 1520 CG LEU I 11 57.233 7.182 -6.173 1.00 0.00 C ATOM 1521 CD1 LEU I 11 58.391 6.184 -6.162 1.00 0.00 C ATOM 1522 CD2 LEU I 11 57.385 8.146 -4.993 1.00 0.00 C ATOM 0 H LEU I 11 54.638 7.408 -6.460 1.00 0.00 H new ATOM 0 HA LEU I 11 55.767 8.632 -8.953 1.00 0.00 H new ATOM 0 HB2 LEU I 11 57.996 7.558 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU I 11 57.534 9.008 -7.292 1.00 0.00 H new ATOM 0 HG LEU I 11 56.288 6.645 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU I 11 58.378 5.622 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU I 11 58.287 5.496 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU I 11 59.335 6.721 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU I 11 57.373 7.583 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU I 11 58.330 8.683 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU I 11 56.561 8.859 -4.997 1.00 0.00 H new ATOM 1534 N LEU I 12 54.517 5.916 -8.366 1.00 0.00 N ATOM 1535 CA LEU I 12 54.224 4.560 -8.909 1.00 0.00 C ATOM 1536 C LEU I 12 52.911 4.573 -9.694 1.00 0.00 C ATOM 1537 O LEU I 12 51.838 4.458 -9.135 1.00 0.00 O ATOM 1538 CB LEU I 12 54.110 3.661 -7.680 1.00 0.00 C ATOM 1539 CG LEU I 12 55.505 3.202 -7.251 1.00 0.00 C ATOM 1540 CD1 LEU I 12 56.198 4.324 -6.476 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.379 1.965 -6.358 1.00 0.00 C ATOM 0 H LEU I 12 53.817 6.290 -7.726 1.00 0.00 H new ATOM 0 HA LEU I 12 54.996 4.214 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.627 4.201 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.485 2.797 -7.905 1.00 0.00 H new ATOM 0 HG LEU I 12 56.095 2.956 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU I 12 57.192 3.996 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU I 12 56.286 5.205 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.611 4.572 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.372 1.635 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU I 12 54.789 2.212 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.886 1.165 -6.911 1.00 0.00 H new