USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 859 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 107 HIS : no HE2:sc= 1.08 K(o=2.3,f=-3.1!) USER MOD Set 1.2: A 111 SER OG : rot 95:sc= 1.23 USER MOD Set 2.1: A 23 THR OG1 : rot -41:sc= 1.27 USER MOD Set 2.2: A 104 HIS : no HE2:sc= 2.42 K(o=3.7,f=-11!) USER MOD Set 3.1: A 101 GLN : amide:sc= -0.9 X(o=0.2,f=0.58) USER MOD Set 3.2: A 103 ASN : amide:sc= 0.616 X(o=0.2,f=0.38) USER MOD Set 3.3: A 105 HIS : no HE2:sc= 0.483 K(o=0.2,f=-1.7) USER MOD Set 4.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 100 GLN : amide:sc= 3.12 K(o=3.1,f=-8.3!) USER MOD Set 5.1: A 92 TYR OH : rot 101:sc= 1.12 USER MOD Set 5.2: A 112 SER OG : rot 89:sc= 0.752 USER MOD Set 6.1: A 54 SER OG : rot 51:sc= 1.09 USER MOD Set 6.2: A 56 ASN : amide:sc= -0.328 K(o=0.77,f=-5.3!) USER MOD Set 7.1: A 46 LYS NZ :NH3+ -172:sc= 2.09 (180deg=1.89) USER MOD Set 7.2: A 68 ASN : amide:sc= -0.484 K(o=1.6,f=-11!) USER MOD Set 8.1: A 19 LYS NZ :NH3+ -163:sc= 2.36 (180deg=0.87) USER MOD Set 8.2: A 37 GLN : amide:sc= 1.09 K(o=3.5,f=-7!) USER MOD Set 9.1: A 27 THR OG1 : rot -120:sc= 1.79 USER MOD Set 9.2: A 29 HIS : no HE2:sc= 1.12 K(o=4.9,f=-0.19!) USER MOD Set 9.3: A 31 THR OG1 : rot -169:sc= 1.96 USER MOD Set10.1: A 2 SER OG : rot 122:sc= 2.02 USER MOD Set10.2: A 7 LYS NZ :NH3+ 171:sc= 3.48 (180deg=2.37) USER MOD Single : A 1 ILE N :NH3+ 171:sc= 2.16 (180deg=2.08) USER MOD Single : A 5 GLN : amide:sc= 0.787 K(o=0.79,f=-8.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0628 USER MOD Single : A 10 THR OG1 : rot 148:sc= 0.135 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 1.11 (180deg=0.972) USER MOD Single : A 38 TYR OH : rot -143:sc= 1.09 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -147:sc= 0.757 USER MOD Single : A 51 SER OG : rot -166:sc= 1.13 USER MOD Single : A 59 THR OG1 : rot -7:sc= 1.1 USER MOD Single : A 66 THR OG1 : rot -150:sc= 0.87 USER MOD Single : A 72 SER OG : rot -18:sc= 0.94 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 77 ASN : amide:sc= 0.417 K(o=0.42,f=-2.4!) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 0.974 (180deg=-0.279!) USER MOD Single : A 91 SER OG : rot 34:sc= 0.864 USER MOD Single : A 108 LYS NZ :NH3+ -172:sc= 2.17 (180deg=1.77) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 157:sc= 1.03 (180deg=0.318) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.480 10.021 13.691 1.00 0.00 N ATOM 2 CA ILE A 1 -0.848 9.505 14.098 1.00 0.00 C ATOM 3 C ILE A 1 -1.066 8.106 13.523 1.00 0.00 C ATOM 4 O ILE A 1 -0.340 7.698 12.620 1.00 0.00 O ATOM 5 CB ILE A 1 -2.004 10.472 13.769 1.00 0.00 C ATOM 6 CG1 ILE A 1 -2.005 10.915 12.292 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.927 11.668 14.731 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.291 11.636 11.870 1.00 0.00 C ATOM 0 H1 ILE A 1 0.559 11.024 13.955 1.00 0.00 H new ATOM 0 H2 ILE A 1 1.226 9.477 14.171 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.589 9.924 12.661 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.853 9.430 15.185 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.951 9.952 13.910 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.155 11.574 12.118 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.864 10.039 11.658 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.738 12.363 14.513 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -2.018 11.315 15.758 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.970 12.175 14.605 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -3.222 11.919 10.820 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.144 10.972 12.012 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.423 12.531 12.479 1.00 0.00 H new ATOM 22 N SER A 2 -2.027 7.353 14.070 1.00 0.00 N ATOM 23 CA SER A 2 -2.238 5.952 13.698 1.00 0.00 C ATOM 24 C SER A 2 -3.693 5.505 13.861 1.00 0.00 C ATOM 25 O SER A 2 -4.505 6.189 14.480 1.00 0.00 O ATOM 26 CB SER A 2 -1.331 5.068 14.563 1.00 0.00 C ATOM 27 OG SER A 2 -0.726 4.081 13.757 1.00 0.00 O ATOM 0 H SER A 2 -2.676 7.696 14.778 1.00 0.00 H new ATOM 0 HA SER A 2 -1.992 5.851 12.641 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.567 5.676 15.046 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.913 4.598 15.356 1.00 0.00 H new ATOM 0 HG SER A 2 0.249 4.161 13.818 1.00 0.00 H new ATOM 33 N GLU A 3 -3.985 4.324 13.323 1.00 0.00 N ATOM 34 CA GLU A 3 -5.259 3.602 13.361 1.00 0.00 C ATOM 35 C GLU A 3 -5.023 2.105 13.662 1.00 0.00 C ATOM 36 O GLU A 3 -3.884 1.688 13.888 1.00 0.00 O ATOM 37 CB GLU A 3 -6.007 3.834 12.030 1.00 0.00 C ATOM 38 CG GLU A 3 -5.364 3.179 10.793 1.00 0.00 C ATOM 39 CD GLU A 3 -3.993 3.782 10.462 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.963 4.875 9.852 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.972 3.193 10.891 1.00 0.00 O ATOM 0 H GLU A 3 -3.279 3.801 12.805 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.886 3.981 14.168 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.025 3.457 12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.081 4.907 11.856 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.255 2.108 10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.027 3.297 9.936 1.00 0.00 H new ATOM 48 N PHE A 4 -6.072 1.274 13.645 1.00 0.00 N ATOM 49 CA PHE A 4 -5.941 -0.183 13.798 1.00 0.00 C ATOM 50 C PHE A 4 -5.998 -0.873 12.428 1.00 0.00 C ATOM 51 O PHE A 4 -5.064 -1.552 12.006 1.00 0.00 O ATOM 52 CB PHE A 4 -7.052 -0.717 14.722 1.00 0.00 C ATOM 53 CG PHE A 4 -7.111 -0.091 16.103 1.00 0.00 C ATOM 54 CD1 PHE A 4 -6.355 -0.631 17.161 1.00 0.00 C ATOM 55 CD2 PHE A 4 -7.954 1.011 16.339 1.00 0.00 C ATOM 56 CE1 PHE A 4 -6.448 -0.076 18.450 1.00 0.00 C ATOM 57 CE2 PHE A 4 -8.045 1.569 17.627 1.00 0.00 C ATOM 58 CZ PHE A 4 -7.295 1.023 18.684 1.00 0.00 C ATOM 0 H PHE A 4 -7.034 1.590 13.525 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.974 -0.405 14.251 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.013 -0.564 14.231 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.920 -1.793 14.835 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.703 -1.473 16.982 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.533 1.429 15.529 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.869 -0.494 19.261 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.691 2.416 17.804 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.369 1.447 19.675 1.00 0.00 H new ATOM 68 N GLN A 5 -7.111 -0.663 11.726 1.00 0.00 N ATOM 69 CA GLN A 5 -7.556 -1.326 10.503 1.00 0.00 C ATOM 70 C GLN A 5 -6.518 -1.359 9.369 1.00 0.00 C ATOM 71 O GLN A 5 -6.439 -2.360 8.659 1.00 0.00 O ATOM 72 CB GLN A 5 -8.895 -0.707 10.044 1.00 0.00 C ATOM 73 CG GLN A 5 -8.977 0.838 10.035 1.00 0.00 C ATOM 74 CD GLN A 5 -9.434 1.431 11.374 1.00 0.00 C ATOM 75 OE1 GLN A 5 -8.691 1.491 12.346 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.671 1.875 11.483 1.00 0.00 N ATOM 0 H GLN A 5 -7.785 0.040 12.028 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.699 -2.378 10.752 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.109 -1.065 9.037 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.685 -1.086 10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.998 1.245 9.781 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.667 1.153 9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.301 1.831 10.682 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.998 2.262 12.368 1.00 0.00 H new ATOM 85 N LEU A 6 -5.671 -0.329 9.233 1.00 0.00 N ATOM 86 CA LEU A 6 -4.609 -0.280 8.220 1.00 0.00 C ATOM 87 C LEU A 6 -3.568 -1.408 8.388 1.00 0.00 C ATOM 88 O LEU A 6 -2.885 -1.759 7.427 1.00 0.00 O ATOM 89 CB LEU A 6 -3.968 1.121 8.260 1.00 0.00 C ATOM 90 CG LEU A 6 -3.112 1.516 7.040 1.00 0.00 C ATOM 91 CD1 LEU A 6 -3.955 1.648 5.765 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.452 2.872 7.306 1.00 0.00 C ATOM 0 H LEU A 6 -5.704 0.499 9.828 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.046 -0.453 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.763 1.858 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.344 1.186 9.151 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.372 0.730 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.312 1.928 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.438 0.695 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.716 2.415 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.845 3.156 6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.222 3.625 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.818 2.801 8.190 1.00 0.00 H new ATOM 104 N LYS A 7 -3.478 -2.021 9.582 1.00 0.00 N ATOM 105 CA LYS A 7 -2.609 -3.167 9.876 1.00 0.00 C ATOM 106 C LYS A 7 -3.266 -4.525 9.552 1.00 0.00 C ATOM 107 O LYS A 7 -2.602 -5.547 9.721 1.00 0.00 O ATOM 108 CB LYS A 7 -2.112 -3.115 11.337 1.00 0.00 C ATOM 109 CG LYS A 7 -1.151 -1.951 11.657 1.00 0.00 C ATOM 110 CD LYS A 7 -1.842 -0.599 11.894 1.00 0.00 C ATOM 111 CE LYS A 7 -0.840 0.472 12.326 1.00 0.00 C ATOM 112 NZ LYS A 7 -1.542 1.749 12.569 1.00 0.00 N ATOM 0 H LYS A 7 -4.025 -1.722 10.389 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.748 -3.086 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.977 -3.045 11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.610 -4.055 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.572 -2.209 12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.444 -1.844 10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.345 -0.281 10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.610 -0.711 12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.322 0.154 13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.082 0.605 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.886 2.428 13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.887 2.133 11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.348 1.586 13.206 1.00 0.00 H new ATOM 126 N GLY A 8 -4.524 -4.536 9.081 1.00 0.00 N ATOM 127 CA GLY A 8 -5.377 -5.660 8.653 1.00 0.00 C ATOM 128 C GLY A 8 -4.749 -7.063 8.640 1.00 0.00 C ATOM 129 O GLY A 8 -4.051 -7.426 7.694 1.00 0.00 O ATOM 0 H GLY A 8 -5.027 -3.655 8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.249 -5.688 9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.738 -5.444 7.648 1.00 0.00 H new ATOM 133 N THR A 9 -5.017 -7.837 9.698 1.00 0.00 N ATOM 134 CA THR A 9 -4.428 -9.121 10.116 1.00 0.00 C ATOM 135 C THR A 9 -4.669 -10.319 9.163 1.00 0.00 C ATOM 136 O THR A 9 -5.247 -11.323 9.567 1.00 0.00 O ATOM 137 CB THR A 9 -4.931 -9.440 11.547 1.00 0.00 C ATOM 138 OG1 THR A 9 -5.121 -8.251 12.290 1.00 0.00 O ATOM 139 CG2 THR A 9 -3.930 -10.283 12.339 1.00 0.00 C ATOM 0 H THR A 9 -5.736 -7.547 10.361 1.00 0.00 H new ATOM 0 HA THR A 9 -3.346 -8.989 10.086 1.00 0.00 H new ATOM 0 HB THR A 9 -5.864 -9.987 11.415 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.440 -8.475 13.189 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.328 -10.480 13.335 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.761 -11.228 11.822 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.987 -9.743 12.425 1.00 0.00 H new ATOM 147 N THR A 10 -4.219 -10.255 7.899 1.00 0.00 N ATOM 148 CA THR A 10 -4.506 -11.270 6.856 1.00 0.00 C ATOM 149 C THR A 10 -4.018 -12.701 7.160 1.00 0.00 C ATOM 150 O THR A 10 -4.608 -13.658 6.669 1.00 0.00 O ATOM 151 CB THR A 10 -3.912 -10.849 5.495 1.00 0.00 C ATOM 152 OG1 THR A 10 -3.936 -9.449 5.323 1.00 0.00 O ATOM 153 CG2 THR A 10 -4.685 -11.449 4.319 1.00 0.00 C ATOM 0 H THR A 10 -3.637 -9.488 7.562 1.00 0.00 H new ATOM 0 HA THR A 10 -5.595 -11.305 6.834 1.00 0.00 H new ATOM 0 HB THR A 10 -2.887 -11.219 5.505 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.163 -9.172 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.231 -11.125 3.382 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.654 -12.537 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.721 -11.113 4.355 1.00 0.00 H new ATOM 161 N TYR A 11 -2.956 -12.857 7.959 1.00 0.00 N ATOM 162 CA TYR A 11 -2.360 -14.134 8.377 1.00 0.00 C ATOM 163 C TYR A 11 -1.943 -14.059 9.862 1.00 0.00 C ATOM 164 O TYR A 11 -2.114 -13.023 10.507 1.00 0.00 O ATOM 165 CB TYR A 11 -1.141 -14.466 7.484 1.00 0.00 C ATOM 166 CG TYR A 11 -1.372 -14.793 6.013 1.00 0.00 C ATOM 167 CD1 TYR A 11 -2.430 -15.632 5.605 1.00 0.00 C ATOM 168 CD2 TYR A 11 -0.445 -14.339 5.053 1.00 0.00 C ATOM 169 CE1 TYR A 11 -2.577 -15.991 4.251 1.00 0.00 C ATOM 170 CE2 TYR A 11 -0.578 -14.702 3.701 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.647 -15.526 3.294 1.00 0.00 C ATOM 172 OH TYR A 11 -1.771 -15.869 1.983 1.00 0.00 O ATOM 0 H TYR A 11 -2.463 -12.055 8.352 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.098 -14.928 8.264 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.458 -13.617 7.530 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.625 -15.315 7.933 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.133 -16.002 6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.375 -13.706 5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.399 -16.621 3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.139 -14.349 2.974 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.045 -15.459 1.468 1.00 0.00 H new ATOM 182 N GLY A 12 -1.361 -15.138 10.405 1.00 0.00 N ATOM 183 CA GLY A 12 -0.713 -15.133 11.721 1.00 0.00 C ATOM 184 C GLY A 12 0.471 -14.158 11.767 1.00 0.00 C ATOM 185 O GLY A 12 1.233 -14.067 10.804 1.00 0.00 O ATOM 0 H GLY A 12 -1.327 -16.044 9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.441 -14.858 12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.366 -16.138 11.960 1.00 0.00 H new ATOM 189 N VAL A 13 0.623 -13.410 12.868 1.00 0.00 N ATOM 190 CA VAL A 13 1.632 -12.345 13.005 1.00 0.00 C ATOM 191 C VAL A 13 3.058 -12.897 13.165 1.00 0.00 C ATOM 192 O VAL A 13 3.502 -13.262 14.258 1.00 0.00 O ATOM 193 CB VAL A 13 1.215 -11.279 14.043 1.00 0.00 C ATOM 194 CG1 VAL A 13 0.951 -11.807 15.459 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.223 -10.123 14.104 1.00 0.00 C ATOM 0 H VAL A 13 0.044 -13.527 13.699 1.00 0.00 H new ATOM 0 HA VAL A 13 1.670 -11.803 12.060 1.00 0.00 H new ATOM 0 HB VAL A 13 0.254 -10.921 13.672 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.665 -10.980 16.108 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.145 -12.540 15.430 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.855 -12.277 15.846 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.896 -9.394 14.845 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.203 -10.509 14.384 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.287 -9.644 13.127 1.00 0.00 H new ATOM 205 N CYS A 14 3.776 -12.976 12.040 1.00 0.00 N ATOM 206 CA CYS A 14 5.201 -13.278 11.932 1.00 0.00 C ATOM 207 C CYS A 14 5.787 -12.667 10.650 1.00 0.00 C ATOM 208 O CYS A 14 5.057 -12.169 9.796 1.00 0.00 O ATOM 209 CB CYS A 14 5.427 -14.802 11.993 1.00 0.00 C ATOM 210 SG CYS A 14 5.474 -15.761 10.447 1.00 0.00 S ATOM 0 H CYS A 14 3.349 -12.821 11.127 1.00 0.00 H new ATOM 0 HA CYS A 14 5.725 -12.829 12.776 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.370 -14.972 12.512 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.639 -15.225 12.616 1.00 0.00 H new ATOM 215 N SER A 15 7.110 -12.727 10.503 1.00 0.00 N ATOM 216 CA SER A 15 7.843 -12.299 9.301 1.00 0.00 C ATOM 217 C SER A 15 9.045 -13.183 8.959 1.00 0.00 C ATOM 218 O SER A 15 9.427 -13.268 7.793 1.00 0.00 O ATOM 219 CB SER A 15 8.319 -10.859 9.489 1.00 0.00 C ATOM 220 OG SER A 15 9.153 -10.735 10.624 1.00 0.00 O ATOM 0 H SER A 15 7.724 -13.084 11.235 1.00 0.00 H new ATOM 0 HA SER A 15 7.146 -12.385 8.467 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.861 -10.534 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.457 -10.200 9.595 1.00 0.00 H new ATOM 0 HG SER A 15 9.443 -9.803 10.717 1.00 0.00 H new ATOM 226 N LYS A 16 9.614 -13.857 9.967 1.00 0.00 N ATOM 227 CA LYS A 16 10.792 -14.725 9.978 1.00 0.00 C ATOM 228 C LYS A 16 12.024 -14.153 9.263 1.00 0.00 C ATOM 229 O LYS A 16 12.960 -13.717 9.926 1.00 0.00 O ATOM 230 CB LYS A 16 10.405 -16.143 9.518 1.00 0.00 C ATOM 231 CG LYS A 16 11.414 -17.166 10.062 1.00 0.00 C ATOM 232 CD LYS A 16 11.346 -18.528 9.363 1.00 0.00 C ATOM 233 CE LYS A 16 11.950 -18.432 7.958 1.00 0.00 C ATOM 234 NZ LYS A 16 12.228 -19.769 7.397 1.00 0.00 N ATOM 0 H LYS A 16 9.210 -13.798 10.902 1.00 0.00 H new ATOM 0 HA LYS A 16 11.132 -14.785 11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.402 -16.387 9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.381 -16.187 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.421 -16.762 9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.238 -17.305 11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.885 -19.273 9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.310 -18.861 9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.264 -17.896 7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.873 -17.853 7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.588 -19.670 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.939 -20.250 7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.352 -20.330 7.386 1.00 0.00 H new ATOM 248 N ALA A 17 12.058 -14.202 7.931 1.00 0.00 N ATOM 249 CA ALA A 17 13.255 -13.998 7.122 1.00 0.00 C ATOM 250 C ALA A 17 13.268 -12.612 6.456 1.00 0.00 C ATOM 251 O ALA A 17 13.130 -12.490 5.240 1.00 0.00 O ATOM 252 CB ALA A 17 13.375 -15.160 6.131 1.00 0.00 C ATOM 0 H ALA A 17 11.227 -14.391 7.370 1.00 0.00 H new ATOM 0 HA ALA A 17 14.141 -14.002 7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.265 -15.024 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.452 -16.099 6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.493 -15.185 5.491 1.00 0.00 H new ATOM 258 N PHE A 18 13.496 -11.567 7.256 1.00 0.00 N ATOM 259 CA PHE A 18 13.794 -10.219 6.769 1.00 0.00 C ATOM 260 C PHE A 18 15.126 -9.724 7.334 1.00 0.00 C ATOM 261 O PHE A 18 15.516 -10.073 8.449 1.00 0.00 O ATOM 262 CB PHE A 18 12.689 -9.226 7.162 1.00 0.00 C ATOM 263 CG PHE A 18 11.415 -9.278 6.342 1.00 0.00 C ATOM 264 CD1 PHE A 18 10.422 -10.220 6.651 1.00 0.00 C ATOM 265 CD2 PHE A 18 11.182 -8.333 5.325 1.00 0.00 C ATOM 266 CE1 PHE A 18 9.177 -10.177 5.999 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.947 -8.305 4.651 1.00 0.00 C ATOM 268 CZ PHE A 18 8.936 -9.218 5.000 1.00 0.00 C ATOM 0 H PHE A 18 13.478 -11.635 8.274 1.00 0.00 H new ATOM 0 HA PHE A 18 13.853 -10.275 5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.430 -9.398 8.207 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.097 -8.217 7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.615 -10.981 7.393 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.955 -7.626 5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.404 -10.882 6.266 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.776 -7.583 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.978 -9.182 4.502 1.00 0.00 H new ATOM 278 N LYS A 19 15.766 -8.823 6.588 1.00 0.00 N ATOM 279 CA LYS A 19 16.909 -8.013 7.016 1.00 0.00 C ATOM 280 C LYS A 19 16.727 -6.595 6.459 1.00 0.00 C ATOM 281 O LYS A 19 16.190 -6.429 5.366 1.00 0.00 O ATOM 282 CB LYS A 19 18.183 -8.719 6.508 1.00 0.00 C ATOM 283 CG LYS A 19 19.471 -7.908 6.691 1.00 0.00 C ATOM 284 CD LYS A 19 20.661 -8.527 5.943 1.00 0.00 C ATOM 285 CE LYS A 19 21.791 -7.511 5.710 1.00 0.00 C ATOM 286 NZ LYS A 19 21.375 -6.402 4.812 1.00 0.00 N ATOM 0 H LYS A 19 15.490 -8.629 5.625 1.00 0.00 H new ATOM 0 HA LYS A 19 16.989 -7.918 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.289 -9.670 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.059 -8.948 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.311 -6.890 6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.707 -7.841 7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.046 -9.372 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.322 -8.917 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.110 -7.100 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.652 -8.021 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.219 -5.911 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.833 -6.787 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.782 -5.731 5.341 1.00 0.00 H new ATOM 300 N PHE A 20 17.190 -5.564 7.173 1.00 0.00 N ATOM 301 CA PHE A 20 17.261 -4.206 6.622 1.00 0.00 C ATOM 302 C PHE A 20 18.302 -4.127 5.493 1.00 0.00 C ATOM 303 O PHE A 20 19.433 -4.604 5.634 1.00 0.00 O ATOM 304 CB PHE A 20 17.585 -3.189 7.723 1.00 0.00 C ATOM 305 CG PHE A 20 16.457 -2.932 8.707 1.00 0.00 C ATOM 306 CD1 PHE A 20 15.303 -2.241 8.287 1.00 0.00 C ATOM 307 CD2 PHE A 20 16.582 -3.315 10.058 1.00 0.00 C ATOM 308 CE1 PHE A 20 14.279 -1.948 9.206 1.00 0.00 C ATOM 309 CE2 PHE A 20 15.564 -3.003 10.977 1.00 0.00 C ATOM 310 CZ PHE A 20 14.408 -2.328 10.552 1.00 0.00 C ATOM 0 H PHE A 20 17.521 -5.644 8.134 1.00 0.00 H new ATOM 0 HA PHE A 20 16.285 -3.961 6.204 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.457 -3.539 8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.862 -2.244 7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.204 -1.935 7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.461 -3.849 10.388 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.391 -1.429 8.876 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.672 -3.284 12.014 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.622 -2.102 11.257 1.00 0.00 H new ATOM 320 N LEU A 21 17.921 -3.506 4.375 1.00 0.00 N ATOM 321 CA LEU A 21 18.813 -3.190 3.259 1.00 0.00 C ATOM 322 C LEU A 21 19.282 -1.732 3.384 1.00 0.00 C ATOM 323 O LEU A 21 20.482 -1.475 3.348 1.00 0.00 O ATOM 324 CB LEU A 21 18.068 -3.477 1.939 1.00 0.00 C ATOM 325 CG LEU A 21 18.912 -3.580 0.652 1.00 0.00 C ATOM 326 CD1 LEU A 21 19.756 -2.348 0.323 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.831 -4.804 0.649 1.00 0.00 C ATOM 0 H LEU A 21 16.960 -3.202 4.217 1.00 0.00 H new ATOM 0 HA LEU A 21 19.708 -3.812 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.521 -4.412 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.327 -2.691 1.793 1.00 0.00 H new ATOM 0 HG LEU A 21 18.152 -3.671 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.310 -2.522 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.104 -1.484 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.456 -2.159 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.402 -4.828 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.516 -4.747 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.230 -5.710 0.729 1.00 0.00 H new ATOM 339 N GLY A 22 18.341 -0.796 3.570 1.00 0.00 N ATOM 340 CA GLY A 22 18.592 0.643 3.560 1.00 0.00 C ATOM 341 C GLY A 22 17.813 1.382 4.649 1.00 0.00 C ATOM 342 O GLY A 22 16.582 1.347 4.672 1.00 0.00 O ATOM 0 H GLY A 22 17.362 -1.029 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.658 0.823 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.321 1.049 2.585 1.00 0.00 H new ATOM 346 N THR A 23 18.558 2.061 5.529 1.00 0.00 N ATOM 347 CA THR A 23 18.098 2.953 6.605 1.00 0.00 C ATOM 348 C THR A 23 17.076 3.993 6.107 1.00 0.00 C ATOM 349 O THR A 23 17.183 4.430 4.961 1.00 0.00 O ATOM 350 CB THR A 23 19.349 3.640 7.187 1.00 0.00 C ATOM 351 OG1 THR A 23 20.172 2.640 7.747 1.00 0.00 O ATOM 352 CG2 THR A 23 19.137 4.695 8.273 1.00 0.00 C ATOM 0 H THR A 23 19.576 1.998 5.508 1.00 0.00 H new ATOM 0 HA THR A 23 17.578 2.373 7.368 1.00 0.00 H new ATOM 0 HB THR A 23 19.775 4.179 6.341 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.617 1.992 8.229 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.102 5.092 8.588 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.522 5.504 7.879 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.635 4.242 9.128 1.00 0.00 H new ATOM 360 N PRO A 24 16.096 4.414 6.940 1.00 0.00 N ATOM 361 CA PRO A 24 15.068 5.369 6.527 1.00 0.00 C ATOM 362 C PRO A 24 15.626 6.705 5.995 1.00 0.00 C ATOM 363 O PRO A 24 16.649 7.203 6.471 1.00 0.00 O ATOM 364 CB PRO A 24 14.176 5.585 7.757 1.00 0.00 C ATOM 365 CG PRO A 24 14.417 4.365 8.637 1.00 0.00 C ATOM 366 CD PRO A 24 15.854 3.982 8.313 1.00 0.00 C ATOM 0 HA PRO A 24 14.514 4.963 5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.438 6.506 8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.127 5.667 7.474 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.291 4.600 9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.723 3.557 8.405 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.549 4.465 9.000 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.001 2.907 8.414 1.00 0.00 H new ATOM 374 N ALA A 25 14.900 7.312 5.052 1.00 0.00 N ATOM 375 CA ALA A 25 15.174 8.624 4.462 1.00 0.00 C ATOM 376 C ALA A 25 13.857 9.384 4.217 1.00 0.00 C ATOM 377 O ALA A 25 12.857 8.769 3.853 1.00 0.00 O ATOM 378 CB ALA A 25 15.943 8.401 3.154 1.00 0.00 C ATOM 0 H ALA A 25 14.063 6.879 4.660 1.00 0.00 H new ATOM 0 HA ALA A 25 15.774 9.232 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.161 9.364 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 25 16.877 7.880 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.338 7.801 2.474 1.00 0.00 H new ATOM 384 N ASP A 26 13.832 10.707 4.421 1.00 0.00 N ATOM 385 CA ASP A 26 12.605 11.500 4.259 1.00 0.00 C ATOM 386 C ASP A 26 12.251 11.730 2.779 1.00 0.00 C ATOM 387 O ASP A 26 13.123 12.013 1.956 1.00 0.00 O ATOM 388 CB ASP A 26 12.725 12.838 5.000 1.00 0.00 C ATOM 389 CG ASP A 26 11.350 13.422 5.344 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.627 13.862 4.422 1.00 0.00 O ATOM 391 OD2 ASP A 26 11.022 13.429 6.553 1.00 0.00 O ATOM 0 H ASP A 26 14.648 11.252 4.699 1.00 0.00 H new ATOM 0 HA ASP A 26 11.790 10.925 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.299 12.697 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.277 13.547 4.383 1.00 0.00 H new ATOM 396 N THR A 27 10.963 11.629 2.447 1.00 0.00 N ATOM 397 CA THR A 27 10.423 11.837 1.096 1.00 0.00 C ATOM 398 C THR A 27 10.159 13.295 0.725 1.00 0.00 C ATOM 399 O THR A 27 10.007 13.594 -0.457 1.00 0.00 O ATOM 400 CB THR A 27 9.065 11.138 0.972 1.00 0.00 C ATOM 401 OG1 THR A 27 8.215 11.608 1.998 1.00 0.00 O ATOM 402 CG2 THR A 27 9.189 9.625 1.068 1.00 0.00 C ATOM 0 H THR A 27 10.242 11.393 3.129 1.00 0.00 H new ATOM 0 HA THR A 27 11.192 11.440 0.434 1.00 0.00 H new ATOM 0 HB THR A 27 8.652 11.370 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.938 10.857 2.563 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.202 9.172 0.975 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.832 9.261 0.267 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.622 9.356 2.031 1.00 0.00 H new ATOM 410 N GLY A 28 9.995 14.190 1.706 1.00 0.00 N ATOM 411 CA GLY A 28 9.331 15.477 1.492 1.00 0.00 C ATOM 412 C GLY A 28 7.795 15.395 1.408 1.00 0.00 C ATOM 413 O GLY A 28 7.150 16.439 1.444 1.00 0.00 O ATOM 0 H GLY A 28 10.317 14.043 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.603 16.152 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.710 15.919 0.570 1.00 0.00 H new ATOM 417 N HIS A 29 7.183 14.196 1.380 1.00 0.00 N ATOM 418 CA HIS A 29 5.743 14.020 1.645 1.00 0.00 C ATOM 419 C HIS A 29 5.423 14.223 3.140 1.00 0.00 C ATOM 420 O HIS A 29 4.258 14.313 3.521 1.00 0.00 O ATOM 421 CB HIS A 29 5.244 12.605 1.267 1.00 0.00 C ATOM 422 CG HIS A 29 5.730 11.968 -0.016 1.00 0.00 C ATOM 423 ND1 HIS A 29 5.808 10.608 -0.251 1.00 0.00 N ATOM 424 CD2 HIS A 29 6.142 12.605 -1.157 1.00 0.00 C ATOM 425 CE1 HIS A 29 6.263 10.437 -1.503 1.00 0.00 C ATOM 426 NE2 HIS A 29 6.483 11.624 -2.092 1.00 0.00 N ATOM 0 H HIS A 29 7.671 13.325 1.174 1.00 0.00 H new ATOM 0 HA HIS A 29 5.240 14.767 1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.507 11.935 2.086 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.156 12.642 1.223 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.564 9.868 0.407 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.194 13.673 -1.307 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.429 9.478 -1.971 1.00 0.00 H new ATOM 434 N GLY A 30 6.459 14.219 3.990 1.00 0.00 N ATOM 435 CA GLY A 30 6.374 14.085 5.441 1.00 0.00 C ATOM 436 C GLY A 30 6.748 12.681 5.937 1.00 0.00 C ATOM 437 O GLY A 30 6.871 12.488 7.146 1.00 0.00 O ATOM 0 H GLY A 30 7.421 14.314 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.034 14.817 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.360 14.320 5.763 1.00 0.00 H new ATOM 441 N THR A 31 6.953 11.723 5.027 1.00 0.00 N ATOM 442 CA THR A 31 7.127 10.289 5.289 1.00 0.00 C ATOM 443 C THR A 31 8.596 9.857 5.213 1.00 0.00 C ATOM 444 O THR A 31 9.436 10.569 4.663 1.00 0.00 O ATOM 445 CB THR A 31 6.294 9.478 4.280 1.00 0.00 C ATOM 446 OG1 THR A 31 6.686 9.811 2.972 1.00 0.00 O ATOM 447 CG2 THR A 31 4.799 9.773 4.420 1.00 0.00 C ATOM 0 H THR A 31 7.005 11.939 4.031 1.00 0.00 H new ATOM 0 HA THR A 31 6.784 10.096 6.305 1.00 0.00 H new ATOM 0 HB THR A 31 6.467 8.421 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.049 9.429 2.332 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.242 9.183 3.692 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.470 9.513 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.619 10.833 4.242 1.00 0.00 H new ATOM 455 N VAL A 32 8.901 8.661 5.732 1.00 0.00 N ATOM 456 CA VAL A 32 10.205 8.001 5.598 1.00 0.00 C ATOM 457 C VAL A 32 10.106 6.801 4.656 1.00 0.00 C ATOM 458 O VAL A 32 9.376 5.853 4.943 1.00 0.00 O ATOM 459 CB VAL A 32 10.817 7.550 6.941 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.657 8.662 7.581 1.00 0.00 C ATOM 461 CG2 VAL A 32 9.815 7.005 7.966 1.00 0.00 C ATOM 0 H VAL A 32 8.231 8.112 6.270 1.00 0.00 H new ATOM 0 HA VAL A 32 10.874 8.755 5.183 1.00 0.00 H new ATOM 0 HB VAL A 32 11.455 6.709 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.071 8.308 8.525 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.469 8.937 6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.028 9.533 7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.344 6.716 8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.082 7.776 8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.306 6.135 7.550 1.00 0.00 H new ATOM 471 N VAL A 33 10.861 6.833 3.554 1.00 0.00 N ATOM 472 CA VAL A 33 11.166 5.667 2.713 1.00 0.00 C ATOM 473 C VAL A 33 12.297 4.841 3.342 1.00 0.00 C ATOM 474 O VAL A 33 13.339 5.387 3.696 1.00 0.00 O ATOM 475 CB VAL A 33 11.525 6.063 1.264 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.251 6.208 0.430 1.00 0.00 C ATOM 477 CG2 VAL A 33 12.347 7.349 1.102 1.00 0.00 C ATOM 0 H VAL A 33 11.289 7.693 3.211 1.00 0.00 H new ATOM 0 HA VAL A 33 10.262 5.060 2.661 1.00 0.00 H new ATOM 0 HB VAL A 33 12.162 5.249 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.514 6.487 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.713 5.260 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.617 6.980 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.539 7.527 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.792 8.190 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.295 7.244 1.630 1.00 0.00 H new ATOM 487 N LEU A 34 12.076 3.531 3.499 1.00 0.00 N ATOM 488 CA LEU A 34 12.899 2.573 4.251 1.00 0.00 C ATOM 489 C LEU A 34 12.949 1.234 3.495 1.00 0.00 C ATOM 490 O LEU A 34 11.914 0.784 3.007 1.00 0.00 O ATOM 491 CB LEU A 34 12.234 2.477 5.644 1.00 0.00 C ATOM 492 CG LEU A 34 12.600 1.346 6.625 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.822 0.053 6.366 1.00 0.00 C ATOM 494 CD2 LEU A 34 14.096 1.047 6.736 1.00 0.00 C ATOM 0 H LEU A 34 11.264 3.081 3.077 1.00 0.00 H new ATOM 0 HA LEU A 34 13.940 2.878 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.430 3.419 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.158 2.421 5.480 1.00 0.00 H new ATOM 0 HG LEU A 34 12.294 1.749 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.124 -0.705 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.754 0.245 6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.033 -0.303 5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.253 0.238 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.481 0.751 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.621 1.939 7.078 1.00 0.00 H new ATOM 506 N GLU A 35 14.123 0.591 3.374 1.00 0.00 N ATOM 507 CA GLU A 35 14.289 -0.620 2.553 1.00 0.00 C ATOM 508 C GLU A 35 14.680 -1.867 3.355 1.00 0.00 C ATOM 509 O GLU A 35 15.648 -1.860 4.123 1.00 0.00 O ATOM 510 CB GLU A 35 15.291 -0.375 1.410 1.00 0.00 C ATOM 511 CG GLU A 35 15.060 -1.388 0.280 1.00 0.00 C ATOM 512 CD GLU A 35 15.856 -1.083 -0.984 1.00 0.00 C ATOM 513 OE1 GLU A 35 17.097 -1.200 -0.968 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.239 -0.795 -2.034 1.00 0.00 O ATOM 0 H GLU A 35 14.979 0.894 3.840 1.00 0.00 H new ATOM 0 HA GLU A 35 13.305 -0.829 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.178 0.640 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.311 -0.463 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.326 -2.383 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.998 -1.410 0.034 1.00 0.00 H new ATOM 521 N LEU A 36 13.966 -2.972 3.102 1.00 0.00 N ATOM 522 CA LEU A 36 14.278 -4.311 3.610 1.00 0.00 C ATOM 523 C LEU A 36 14.552 -5.289 2.457 1.00 0.00 C ATOM 524 O LEU A 36 14.154 -5.062 1.316 1.00 0.00 O ATOM 525 CB LEU A 36 13.114 -4.817 4.484 1.00 0.00 C ATOM 526 CG LEU A 36 12.936 -4.049 5.812 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.512 -3.503 5.946 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.213 -4.955 7.015 1.00 0.00 C ATOM 0 H LEU A 36 13.129 -2.956 2.519 1.00 0.00 H new ATOM 0 HA LEU A 36 15.182 -4.252 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.189 -4.749 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.274 -5.872 4.707 1.00 0.00 H new ATOM 0 HG LEU A 36 13.649 -3.225 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.415 -2.967 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.304 -2.823 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.802 -4.330 5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.080 -4.388 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.520 -5.796 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.236 -5.327 6.962 1.00 0.00 H new ATOM 540 N GLN A 37 15.180 -6.421 2.784 1.00 0.00 N ATOM 541 CA GLN A 37 15.330 -7.589 1.920 1.00 0.00 C ATOM 542 C GLN A 37 14.743 -8.832 2.605 1.00 0.00 C ATOM 543 O GLN A 37 14.876 -8.994 3.822 1.00 0.00 O ATOM 544 CB GLN A 37 16.803 -7.777 1.506 1.00 0.00 C ATOM 545 CG GLN A 37 17.752 -8.077 2.682 1.00 0.00 C ATOM 546 CD GLN A 37 19.206 -8.262 2.261 1.00 0.00 C ATOM 547 OE1 GLN A 37 20.093 -7.536 2.692 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.515 -9.259 1.453 1.00 0.00 N ATOM 0 H GLN A 37 15.615 -6.552 3.697 1.00 0.00 H new ATOM 0 HA GLN A 37 14.767 -7.432 1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.866 -8.592 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.145 -6.875 0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.692 -7.262 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.412 -8.979 3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.781 -9.868 1.090 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.488 -9.421 1.191 1.00 0.00 H new ATOM 557 N TYR A 38 14.108 -9.709 1.820 1.00 0.00 N ATOM 558 CA TYR A 38 13.484 -10.943 2.307 1.00 0.00 C ATOM 559 C TYR A 38 14.432 -12.138 2.143 1.00 0.00 C ATOM 560 O TYR A 38 14.568 -12.710 1.062 1.00 0.00 O ATOM 561 CB TYR A 38 12.157 -11.166 1.586 1.00 0.00 C ATOM 562 CG TYR A 38 11.280 -12.233 2.215 1.00 0.00 C ATOM 563 CD1 TYR A 38 10.534 -11.898 3.356 1.00 0.00 C ATOM 564 CD2 TYR A 38 11.195 -13.537 1.684 1.00 0.00 C ATOM 565 CE1 TYR A 38 9.690 -12.845 3.956 1.00 0.00 C ATOM 566 CE2 TYR A 38 10.349 -14.495 2.281 1.00 0.00 C ATOM 567 CZ TYR A 38 9.590 -14.141 3.420 1.00 0.00 C ATOM 568 OH TYR A 38 8.744 -15.011 4.028 1.00 0.00 O ATOM 0 H TYR A 38 14.012 -9.579 0.813 1.00 0.00 H new ATOM 0 HA TYR A 38 13.280 -10.846 3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.606 -10.226 1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.360 -11.442 0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.610 -10.905 3.775 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.780 -13.803 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.116 -12.578 4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.282 -15.492 1.871 1.00 0.00 H new ATOM 0 HH TYR A 38 9.135 -15.909 4.017 1.00 0.00 H new ATOM 578 N THR A 39 15.127 -12.500 3.221 1.00 0.00 N ATOM 579 CA THR A 39 16.242 -13.458 3.247 1.00 0.00 C ATOM 580 C THR A 39 15.782 -14.924 3.309 1.00 0.00 C ATOM 581 O THR A 39 16.415 -15.734 3.984 1.00 0.00 O ATOM 582 CB THR A 39 17.195 -13.125 4.412 1.00 0.00 C ATOM 583 OG1 THR A 39 16.518 -13.204 5.647 1.00 0.00 O ATOM 584 CG2 THR A 39 17.801 -11.727 4.277 1.00 0.00 C ATOM 0 H THR A 39 14.922 -12.118 4.144 1.00 0.00 H new ATOM 0 HA THR A 39 16.775 -13.354 2.302 1.00 0.00 H new ATOM 0 HB THR A 39 17.999 -13.860 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.139 -12.991 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.466 -11.536 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.366 -11.664 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.003 -10.984 4.268 1.00 0.00 H new ATOM 592 N GLY A 40 14.666 -15.273 2.655 1.00 0.00 N ATOM 593 CA GLY A 40 14.090 -16.619 2.697 1.00 0.00 C ATOM 594 C GLY A 40 13.214 -16.967 1.491 1.00 0.00 C ATOM 595 O GLY A 40 12.947 -16.128 0.630 1.00 0.00 O ATOM 0 H GLY A 40 14.135 -14.621 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.899 -17.346 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.495 -16.719 3.605 1.00 0.00 H new ATOM 599 N THR A 41 12.763 -18.225 1.461 1.00 0.00 N ATOM 600 CA THR A 41 11.931 -18.846 0.413 1.00 0.00 C ATOM 601 C THR A 41 10.597 -19.389 0.942 1.00 0.00 C ATOM 602 O THR A 41 9.829 -19.970 0.181 1.00 0.00 O ATOM 603 CB THR A 41 12.699 -19.979 -0.291 1.00 0.00 C ATOM 604 OG1 THR A 41 13.264 -20.852 0.665 1.00 0.00 O ATOM 605 CG2 THR A 41 13.827 -19.453 -1.179 1.00 0.00 C ATOM 0 H THR A 41 12.980 -18.881 2.211 1.00 0.00 H new ATOM 0 HA THR A 41 11.701 -18.051 -0.297 1.00 0.00 H new ATOM 0 HB THR A 41 11.976 -20.502 -0.917 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.749 -21.570 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.338 -20.291 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.411 -18.800 -1.947 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.537 -18.892 -0.571 1.00 0.00 H new ATOM 613 N ASP A 42 10.304 -19.187 2.230 1.00 0.00 N ATOM 614 CA ASP A 42 9.094 -19.598 2.936 1.00 0.00 C ATOM 615 C ASP A 42 8.519 -18.434 3.762 1.00 0.00 C ATOM 616 O ASP A 42 9.213 -17.446 4.003 1.00 0.00 O ATOM 617 CB ASP A 42 9.439 -20.795 3.838 1.00 0.00 C ATOM 618 CG ASP A 42 10.376 -20.419 4.994 1.00 0.00 C ATOM 619 OD1 ASP A 42 11.484 -19.884 4.760 1.00 0.00 O ATOM 620 OD2 ASP A 42 10.008 -20.652 6.166 1.00 0.00 O ATOM 0 H ASP A 42 10.953 -18.698 2.846 1.00 0.00 H new ATOM 0 HA ASP A 42 8.329 -19.890 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.519 -21.215 4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.907 -21.574 3.236 1.00 0.00 H new ATOM 625 N GLY A 43 7.270 -18.567 4.230 1.00 0.00 N ATOM 626 CA GLY A 43 6.660 -17.701 5.247 1.00 0.00 C ATOM 627 C GLY A 43 5.610 -16.669 4.790 1.00 0.00 C ATOM 628 O GLY A 43 5.730 -15.518 5.209 1.00 0.00 O ATOM 0 H GLY A 43 6.640 -19.299 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.193 -18.343 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.462 -17.160 5.748 1.00 0.00 H new ATOM 632 N PRO A 44 4.545 -17.023 4.031 1.00 0.00 N ATOM 633 CA PRO A 44 3.343 -16.189 3.942 1.00 0.00 C ATOM 634 C PRO A 44 2.756 -15.927 5.343 1.00 0.00 C ATOM 635 O PRO A 44 2.269 -16.848 5.998 1.00 0.00 O ATOM 636 CB PRO A 44 2.348 -16.919 3.027 1.00 0.00 C ATOM 637 CG PRO A 44 3.187 -17.993 2.343 1.00 0.00 C ATOM 638 CD PRO A 44 4.316 -18.276 3.334 1.00 0.00 C ATOM 0 HA PRO A 44 3.576 -15.210 3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.529 -17.357 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.902 -16.239 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.600 -18.889 2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.575 -17.645 1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.038 -19.067 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.217 -18.608 2.818 1.00 0.00 H new ATOM 646 N CYS A 45 2.879 -14.693 5.842 1.00 0.00 N ATOM 647 CA CYS A 45 2.649 -14.340 7.246 1.00 0.00 C ATOM 648 C CYS A 45 2.278 -12.849 7.398 1.00 0.00 C ATOM 649 O CYS A 45 2.403 -12.071 6.454 1.00 0.00 O ATOM 650 CB CYS A 45 3.922 -14.696 8.036 1.00 0.00 C ATOM 651 SG CYS A 45 3.633 -15.562 9.601 1.00 0.00 S ATOM 0 H CYS A 45 3.147 -13.894 5.268 1.00 0.00 H new ATOM 0 HA CYS A 45 1.803 -14.902 7.640 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.561 -15.316 7.407 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.473 -13.778 8.242 1.00 0.00 H new ATOM 656 N LYS A 46 1.817 -12.415 8.575 1.00 0.00 N ATOM 657 CA LYS A 46 1.445 -11.016 8.859 1.00 0.00 C ATOM 658 C LYS A 46 2.649 -10.273 9.456 1.00 0.00 C ATOM 659 O LYS A 46 2.856 -10.314 10.664 1.00 0.00 O ATOM 660 CB LYS A 46 0.156 -11.035 9.709 1.00 0.00 C ATOM 661 CG LYS A 46 -0.218 -9.832 10.585 1.00 0.00 C ATOM 662 CD LYS A 46 -0.247 -8.481 9.881 1.00 0.00 C ATOM 663 CE LYS A 46 -1.101 -8.499 8.614 1.00 0.00 C ATOM 664 NZ LYS A 46 -1.174 -7.139 8.070 1.00 0.00 N ATOM 0 H LYS A 46 1.688 -13.034 9.375 1.00 0.00 H new ATOM 0 HA LYS A 46 1.203 -10.444 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.676 -11.207 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.216 -11.904 10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.201 -10.015 11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.490 -9.774 11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.634 -7.727 10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.771 -8.187 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.669 -9.177 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.101 -8.869 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.860 -7.114 7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.476 -6.482 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.238 -6.855 7.718 1.00 0.00 H new ATOM 678 N VAL A 47 3.457 -9.633 8.597 1.00 0.00 N ATOM 679 CA VAL A 47 4.724 -8.976 8.972 1.00 0.00 C ATOM 680 C VAL A 47 4.514 -7.830 9.980 1.00 0.00 C ATOM 681 O VAL A 47 3.907 -6.816 9.638 1.00 0.00 O ATOM 682 CB VAL A 47 5.586 -8.554 7.753 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.837 -7.837 6.626 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.785 -7.675 8.147 1.00 0.00 C ATOM 0 H VAL A 47 3.246 -9.555 7.602 1.00 0.00 H new ATOM 0 HA VAL A 47 5.310 -9.737 9.486 1.00 0.00 H new ATOM 0 HB VAL A 47 5.919 -9.518 7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.535 -7.588 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.056 -8.489 6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.387 -6.923 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.351 -7.411 7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.427 -6.767 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.428 -8.224 8.835 1.00 0.00 H new ATOM 694 N PRO A 48 5.022 -7.948 11.222 1.00 0.00 N ATOM 695 CA PRO A 48 4.949 -6.886 12.220 1.00 0.00 C ATOM 696 C PRO A 48 5.975 -5.770 11.933 1.00 0.00 C ATOM 697 O PRO A 48 7.093 -5.804 12.444 1.00 0.00 O ATOM 698 CB PRO A 48 5.202 -7.598 13.553 1.00 0.00 C ATOM 699 CG PRO A 48 6.173 -8.712 13.159 1.00 0.00 C ATOM 700 CD PRO A 48 5.653 -9.131 11.798 1.00 0.00 C ATOM 0 HA PRO A 48 3.987 -6.373 12.220 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.635 -6.927 14.295 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.282 -7.995 13.981 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.202 -8.355 13.109 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.156 -9.536 13.872 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.465 -9.487 11.164 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.938 -9.948 11.889 1.00 0.00 H new ATOM 708 N ILE A 49 5.601 -4.763 11.136 1.00 0.00 N ATOM 709 CA ILE A 49 6.365 -3.511 10.974 1.00 0.00 C ATOM 710 C ILE A 49 5.578 -2.332 11.568 1.00 0.00 C ATOM 711 O ILE A 49 4.347 -2.323 11.517 1.00 0.00 O ATOM 712 CB ILE A 49 6.816 -3.298 9.506 1.00 0.00 C ATOM 713 CG1 ILE A 49 7.656 -2.006 9.364 1.00 0.00 C ATOM 714 CG2 ILE A 49 5.632 -3.303 8.526 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.433 -1.894 8.046 1.00 0.00 C ATOM 0 H ILE A 49 4.749 -4.790 10.576 1.00 0.00 H new ATOM 0 HA ILE A 49 7.294 -3.581 11.540 1.00 0.00 H new ATOM 0 HB ILE A 49 7.449 -4.145 9.241 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.994 -1.145 9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.362 -1.954 10.193 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.999 -3.150 7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.115 -4.261 8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.941 -2.501 8.786 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.993 -0.959 8.032 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.124 -2.732 7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.735 -1.911 7.209 1.00 0.00 H new ATOM 727 N SER A 50 6.285 -1.349 12.145 1.00 0.00 N ATOM 728 CA SER A 50 5.692 -0.253 12.919 1.00 0.00 C ATOM 729 C SER A 50 6.504 1.058 12.891 1.00 0.00 C ATOM 730 O SER A 50 7.631 1.105 12.398 1.00 0.00 O ATOM 731 CB SER A 50 5.547 -0.749 14.356 1.00 0.00 C ATOM 732 OG SER A 50 4.785 0.141 15.138 1.00 0.00 O ATOM 0 H SER A 50 7.302 -1.294 12.085 1.00 0.00 H new ATOM 0 HA SER A 50 4.734 0.001 12.466 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.074 -1.731 14.356 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.535 -0.871 14.801 1.00 0.00 H new ATOM 0 HG SER A 50 5.110 0.125 16.062 1.00 0.00 H new ATOM 738 N SER A 51 5.912 2.121 13.452 1.00 0.00 N ATOM 739 CA SER A 51 6.429 3.490 13.569 1.00 0.00 C ATOM 740 C SER A 51 5.991 4.097 14.914 1.00 0.00 C ATOM 741 O SER A 51 4.811 4.418 15.095 1.00 0.00 O ATOM 742 CB SER A 51 5.911 4.337 12.395 1.00 0.00 C ATOM 743 OG SER A 51 6.478 5.634 12.433 1.00 0.00 O ATOM 0 H SER A 51 4.985 2.038 13.869 1.00 0.00 H new ATOM 0 HA SER A 51 7.518 3.476 13.535 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.160 3.852 11.451 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.824 4.407 12.441 1.00 0.00 H new ATOM 0 HG SER A 51 5.979 6.227 11.833 1.00 0.00 H new ATOM 749 N VAL A 52 6.913 4.230 15.880 1.00 0.00 N ATOM 750 CA VAL A 52 6.618 4.782 17.220 1.00 0.00 C ATOM 751 C VAL A 52 7.676 5.768 17.707 1.00 0.00 C ATOM 752 O VAL A 52 8.846 5.670 17.353 1.00 0.00 O ATOM 753 CB VAL A 52 6.411 3.679 18.280 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.097 2.939 18.046 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.564 2.670 18.368 1.00 0.00 C ATOM 0 H VAL A 52 7.888 3.958 15.758 1.00 0.00 H new ATOM 0 HA VAL A 52 5.682 5.327 17.097 1.00 0.00 H new ATOM 0 HB VAL A 52 6.381 4.202 19.236 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.974 2.167 18.806 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.267 3.643 18.107 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.110 2.478 17.059 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.341 1.929 19.135 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.685 2.171 17.406 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.486 3.192 18.625 1.00 0.00 H new ATOM 765 N ALA A 53 7.265 6.723 18.549 1.00 0.00 N ATOM 766 CA ALA A 53 8.124 7.829 18.967 1.00 0.00 C ATOM 767 C ALA A 53 9.227 7.431 19.966 1.00 0.00 C ATOM 768 O ALA A 53 10.310 8.005 19.944 1.00 0.00 O ATOM 769 CB ALA A 53 7.237 8.942 19.534 1.00 0.00 C ATOM 0 H ALA A 53 6.330 6.748 18.957 1.00 0.00 H new ATOM 0 HA ALA A 53 8.666 8.176 18.087 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.860 9.778 19.852 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.541 9.280 18.766 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.677 8.561 20.388 1.00 0.00 H new ATOM 775 N SER A 54 8.965 6.445 20.832 1.00 0.00 N ATOM 776 CA SER A 54 9.785 6.143 22.019 1.00 0.00 C ATOM 777 C SER A 54 10.037 4.634 22.188 1.00 0.00 C ATOM 778 O SER A 54 10.189 4.148 23.305 1.00 0.00 O ATOM 779 CB SER A 54 9.187 6.807 23.290 1.00 0.00 C ATOM 780 OG SER A 54 7.875 7.316 23.114 1.00 0.00 O ATOM 0 H SER A 54 8.164 5.822 20.729 1.00 0.00 H new ATOM 0 HA SER A 54 10.770 6.584 21.864 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.176 6.076 24.098 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.842 7.620 23.604 1.00 0.00 H new ATOM 0 HG SER A 54 7.304 6.620 22.727 1.00 0.00 H new ATOM 786 N LEU A 55 10.029 3.868 21.081 1.00 0.00 N ATOM 787 CA LEU A 55 10.078 2.389 21.040 1.00 0.00 C ATOM 788 C LEU A 55 8.850 1.703 21.687 1.00 0.00 C ATOM 789 O LEU A 55 8.764 0.478 21.720 1.00 0.00 O ATOM 790 CB LEU A 55 11.434 1.865 21.587 1.00 0.00 C ATOM 791 CG LEU A 55 12.416 1.392 20.499 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.832 1.311 21.077 1.00 0.00 C ATOM 793 CD2 LEU A 55 12.037 0.016 19.948 1.00 0.00 C ATOM 0 H LEU A 55 9.986 4.278 20.148 1.00 0.00 H new ATOM 0 HA LEU A 55 10.016 2.101 19.990 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.908 2.656 22.169 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.242 1.038 22.271 1.00 0.00 H new ATOM 0 HG LEU A 55 12.372 2.117 19.686 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.522 0.976 20.303 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.136 2.295 21.433 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.846 0.604 21.907 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.755 -0.280 19.183 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.046 -0.715 20.757 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.040 0.061 19.511 1.00 0.00 H new ATOM 805 N ASN A 56 7.869 2.493 22.141 1.00 0.00 N ATOM 806 CA ASN A 56 6.607 2.122 22.783 1.00 0.00 C ATOM 807 C ASN A 56 5.608 1.394 21.851 1.00 0.00 C ATOM 808 O ASN A 56 4.436 1.764 21.773 1.00 0.00 O ATOM 809 CB ASN A 56 6.028 3.409 23.406 1.00 0.00 C ATOM 810 CG ASN A 56 5.734 4.513 22.393 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.547 5.402 22.164 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.588 4.482 21.751 1.00 0.00 N ATOM 0 H ASN A 56 7.950 3.506 22.059 1.00 0.00 H new ATOM 0 HA ASN A 56 6.799 1.375 23.553 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.108 3.162 23.935 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.730 3.789 24.148 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.372 5.199 21.059 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.915 3.741 21.945 1.00 0.00 H new ATOM 819 N ASP A 57 6.048 0.347 21.148 1.00 0.00 N ATOM 820 CA ASP A 57 5.293 -0.325 20.081 1.00 0.00 C ATOM 821 C ASP A 57 3.958 -0.962 20.527 1.00 0.00 C ATOM 822 O ASP A 57 3.078 -1.216 19.709 1.00 0.00 O ATOM 823 CB ASP A 57 6.216 -1.324 19.372 1.00 0.00 C ATOM 824 CG ASP A 57 5.745 -1.626 17.948 1.00 0.00 C ATOM 825 OD1 ASP A 57 5.266 -0.673 17.286 1.00 0.00 O ATOM 826 OD2 ASP A 57 5.923 -2.778 17.503 1.00 0.00 O ATOM 0 H ASP A 57 6.965 -0.070 21.308 1.00 0.00 H new ATOM 0 HA ASP A 57 4.974 0.445 19.379 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.229 -0.923 19.342 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.256 -2.250 19.945 1.00 0.00 H new ATOM 831 N LEU A 58 3.754 -1.094 21.842 1.00 0.00 N ATOM 832 CA LEU A 58 2.468 -1.320 22.511 1.00 0.00 C ATOM 833 C LEU A 58 1.405 -0.226 22.253 1.00 0.00 C ATOM 834 O LEU A 58 0.271 -0.340 22.717 1.00 0.00 O ATOM 835 CB LEU A 58 2.743 -1.482 24.018 1.00 0.00 C ATOM 836 CG LEU A 58 3.186 -0.168 24.710 1.00 0.00 C ATOM 837 CD1 LEU A 58 2.093 0.381 25.630 1.00 0.00 C ATOM 838 CD2 LEU A 58 4.466 -0.368 25.522 1.00 0.00 C ATOM 0 H LEU A 58 4.526 -1.043 22.506 1.00 0.00 H new ATOM 0 HA LEU A 58 2.029 -2.223 22.086 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.842 -1.854 24.506 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.517 -2.236 24.159 1.00 0.00 H new ATOM 0 HG LEU A 58 3.375 0.552 23.914 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.440 1.303 26.097 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.195 0.586 25.047 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.864 -0.354 26.402 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.748 0.573 25.994 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.295 -1.122 26.290 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.268 -0.698 24.862 1.00 0.00 H new ATOM 850 N THR A 59 1.743 0.875 21.575 1.00 0.00 N ATOM 851 CA THR A 59 0.806 1.924 21.156 1.00 0.00 C ATOM 852 C THR A 59 1.366 2.628 19.909 1.00 0.00 C ATOM 853 O THR A 59 2.309 3.410 20.040 1.00 0.00 O ATOM 854 CB THR A 59 0.545 2.904 22.312 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.110 2.200 23.345 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.386 4.056 21.930 1.00 0.00 C ATOM 0 H THR A 59 2.704 1.067 21.294 1.00 0.00 H new ATOM 0 HA THR A 59 -0.157 1.484 20.895 1.00 0.00 H new ATOM 0 HB THR A 59 1.513 3.314 22.601 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.346 1.302 23.031 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.528 4.710 22.791 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.055 4.624 21.111 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.350 3.656 21.615 1.00 0.00 H new ATOM 864 N PRO A 60 0.839 2.343 18.700 1.00 0.00 N ATOM 865 CA PRO A 60 1.375 2.868 17.445 1.00 0.00 C ATOM 866 C PRO A 60 1.114 4.380 17.322 1.00 0.00 C ATOM 867 O PRO A 60 -0.028 4.827 17.416 1.00 0.00 O ATOM 868 CB PRO A 60 0.708 2.038 16.344 1.00 0.00 C ATOM 869 CG PRO A 60 -0.633 1.633 16.953 1.00 0.00 C ATOM 870 CD PRO A 60 -0.302 1.475 18.437 1.00 0.00 C ATOM 0 HA PRO A 60 2.459 2.777 17.379 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.574 2.619 15.431 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.308 1.166 16.082 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.397 2.393 16.788 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.008 0.705 16.522 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.154 1.755 19.057 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.063 0.438 18.673 1.00 0.00 H new ATOM 878 N VAL A 61 2.181 5.171 17.133 1.00 0.00 N ATOM 879 CA VAL A 61 2.135 6.648 17.159 1.00 0.00 C ATOM 880 C VAL A 61 2.261 7.244 15.752 1.00 0.00 C ATOM 881 O VAL A 61 1.594 8.231 15.440 1.00 0.00 O ATOM 882 CB VAL A 61 3.209 7.244 18.098 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.907 8.717 18.407 1.00 0.00 C ATOM 884 CG2 VAL A 61 3.322 6.508 19.440 1.00 0.00 C ATOM 0 H VAL A 61 3.115 4.801 16.955 1.00 0.00 H new ATOM 0 HA VAL A 61 1.157 6.921 17.556 1.00 0.00 H new ATOM 0 HB VAL A 61 4.150 7.135 17.559 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.676 9.115 19.069 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.896 9.289 17.479 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.934 8.795 18.893 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.094 6.978 20.049 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.367 6.557 19.963 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.586 5.465 19.262 1.00 0.00 H new ATOM 894 N GLY A 62 3.072 6.629 14.887 1.00 0.00 N ATOM 895 CA GLY A 62 3.045 6.797 13.436 1.00 0.00 C ATOM 896 C GLY A 62 2.282 5.648 12.776 1.00 0.00 C ATOM 897 O GLY A 62 1.592 4.874 13.445 1.00 0.00 O ATOM 0 H GLY A 62 3.793 5.975 15.193 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.574 7.747 13.183 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.064 6.834 13.050 1.00 0.00 H new ATOM 901 N ARG A 63 2.403 5.516 11.453 1.00 0.00 N ATOM 902 CA ARG A 63 1.764 4.445 10.674 1.00 0.00 C ATOM 903 C ARG A 63 2.663 3.936 9.548 1.00 0.00 C ATOM 904 O ARG A 63 3.719 4.501 9.265 1.00 0.00 O ATOM 905 CB ARG A 63 0.399 4.921 10.131 1.00 0.00 C ATOM 906 CG ARG A 63 0.523 6.126 9.183 1.00 0.00 C ATOM 907 CD ARG A 63 -0.696 6.336 8.287 1.00 0.00 C ATOM 908 NE ARG A 63 -1.936 6.491 9.058 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.504 7.608 9.480 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.957 8.797 9.391 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.695 7.504 10.012 1.00 0.00 N ATOM 0 H ARG A 63 2.954 6.157 10.882 1.00 0.00 H new ATOM 0 HA ARG A 63 1.597 3.601 11.344 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.084 4.098 9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.247 5.187 10.968 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.686 7.027 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.404 5.993 8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.542 7.221 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.796 5.488 7.609 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.421 5.627 9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.032 8.903 8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.456 9.615 9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.143 6.590 10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.176 8.337 10.353 1.00 0.00 H new ATOM 925 N LEU A 64 2.194 2.889 8.878 1.00 0.00 N ATOM 926 CA LEU A 64 2.673 2.445 7.576 1.00 0.00 C ATOM 927 C LEU A 64 1.954 3.287 6.510 1.00 0.00 C ATOM 928 O LEU A 64 0.763 3.556 6.659 1.00 0.00 O ATOM 929 CB LEU A 64 2.370 0.940 7.394 1.00 0.00 C ATOM 930 CG LEU A 64 2.767 -0.032 8.532 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.155 0.254 9.113 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.754 -0.089 9.686 1.00 0.00 C ATOM 0 H LEU A 64 1.441 2.305 9.242 1.00 0.00 H new ATOM 0 HA LEU A 64 3.751 2.576 7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.298 0.835 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.870 0.608 6.484 1.00 0.00 H new ATOM 0 HG LEU A 64 2.779 -1.004 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.372 -0.462 9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.904 0.163 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.178 1.265 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.104 -0.791 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.652 0.901 10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.787 -0.417 9.305 1.00 0.00 H new ATOM 944 N VAL A 65 2.650 3.706 5.448 1.00 0.00 N ATOM 945 CA VAL A 65 2.051 4.483 4.346 1.00 0.00 C ATOM 946 C VAL A 65 1.858 3.582 3.127 1.00 0.00 C ATOM 947 O VAL A 65 0.769 3.560 2.561 1.00 0.00 O ATOM 948 CB VAL A 65 2.918 5.714 4.015 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.506 6.448 2.730 1.00 0.00 C ATOM 950 CG2 VAL A 65 2.951 6.726 5.168 1.00 0.00 C ATOM 0 H VAL A 65 3.645 3.519 5.324 1.00 0.00 H new ATOM 0 HA VAL A 65 1.073 4.852 4.654 1.00 0.00 H new ATOM 0 HB VAL A 65 3.913 5.297 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.166 7.301 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.581 5.767 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.478 6.798 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.574 7.576 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.939 7.071 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.364 6.251 6.058 1.00 0.00 H new ATOM 960 N THR A 66 2.896 2.835 2.724 1.00 0.00 N ATOM 961 CA THR A 66 2.888 2.043 1.483 1.00 0.00 C ATOM 962 C THR A 66 1.791 0.973 1.417 1.00 0.00 C ATOM 963 O THR A 66 1.129 0.883 0.385 1.00 0.00 O ATOM 964 CB THR A 66 4.281 1.437 1.236 1.00 0.00 C ATOM 965 OG1 THR A 66 5.131 2.451 0.759 1.00 0.00 O ATOM 966 CG2 THR A 66 4.360 0.310 0.205 1.00 0.00 C ATOM 0 H THR A 66 3.767 2.762 3.250 1.00 0.00 H new ATOM 0 HA THR A 66 2.643 2.738 0.680 1.00 0.00 H new ATOM 0 HB THR A 66 4.562 1.010 2.199 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.810 2.059 0.171 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.391 -0.034 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.726 -0.518 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.019 0.678 -0.763 1.00 0.00 H new ATOM 974 N VAL A 67 1.623 0.122 2.443 1.00 0.00 N ATOM 975 CA VAL A 67 0.720 -1.042 2.347 1.00 0.00 C ATOM 976 C VAL A 67 0.258 -1.559 3.718 1.00 0.00 C ATOM 977 O VAL A 67 0.930 -1.346 4.727 1.00 0.00 O ATOM 978 CB VAL A 67 1.419 -2.152 1.517 1.00 0.00 C ATOM 979 CG1 VAL A 67 2.577 -2.842 2.256 1.00 0.00 C ATOM 980 CG2 VAL A 67 0.443 -3.203 0.979 1.00 0.00 C ATOM 0 H VAL A 67 2.095 0.215 3.342 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.192 -0.727 1.840 1.00 0.00 H new ATOM 0 HB VAL A 67 1.846 -1.616 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.016 -3.605 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.336 -2.103 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.201 -3.308 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.993 -3.951 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.068 -3.686 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.291 -2.721 0.334 1.00 0.00 H new ATOM 990 N ASN A 68 -0.856 -2.306 3.729 1.00 0.00 N ATOM 991 CA ASN A 68 -1.215 -3.240 4.798 1.00 0.00 C ATOM 992 C ASN A 68 -0.095 -4.300 4.920 1.00 0.00 C ATOM 993 O ASN A 68 0.116 -5.068 3.978 1.00 0.00 O ATOM 994 CB ASN A 68 -2.594 -3.868 4.499 1.00 0.00 C ATOM 995 CG ASN A 68 -3.001 -4.978 5.471 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.243 -5.437 6.310 1.00 0.00 O ATOM 997 ND2 ASN A 68 -4.208 -5.493 5.383 1.00 0.00 N ATOM 0 H ASN A 68 -1.545 -2.274 2.977 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.302 -2.726 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.351 -3.084 4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.585 -4.272 3.487 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.485 -6.252 6.005 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.867 -5.133 4.693 1.00 0.00 H new ATOM 1004 N PRO A 69 0.646 -4.351 6.041 1.00 0.00 N ATOM 1005 CA PRO A 69 1.871 -5.128 6.149 1.00 0.00 C ATOM 1006 C PRO A 69 1.587 -6.633 6.276 1.00 0.00 C ATOM 1007 O PRO A 69 1.463 -7.153 7.383 1.00 0.00 O ATOM 1008 CB PRO A 69 2.571 -4.531 7.375 1.00 0.00 C ATOM 1009 CG PRO A 69 1.422 -4.108 8.288 1.00 0.00 C ATOM 1010 CD PRO A 69 0.396 -3.611 7.273 1.00 0.00 C ATOM 0 HA PRO A 69 2.498 -5.067 5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.218 -5.262 7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.198 -3.682 7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.042 -4.939 8.882 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.720 -3.326 8.987 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.619 -3.783 7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.499 -2.538 7.110 1.00 0.00 H new ATOM 1018 N PHE A 70 1.465 -7.362 5.160 1.00 0.00 N ATOM 1019 CA PHE A 70 1.473 -8.831 5.169 1.00 0.00 C ATOM 1020 C PHE A 70 2.340 -9.406 4.043 1.00 0.00 C ATOM 1021 O PHE A 70 2.354 -8.907 2.919 1.00 0.00 O ATOM 1022 CB PHE A 70 0.049 -9.414 5.230 1.00 0.00 C ATOM 1023 CG PHE A 70 -0.665 -9.692 3.923 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -1.221 -8.638 3.172 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -0.849 -11.023 3.501 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -1.954 -8.921 2.004 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -1.595 -11.304 2.344 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.142 -10.252 1.592 1.00 0.00 C ATOM 0 H PHE A 70 1.359 -6.954 4.231 1.00 0.00 H new ATOM 0 HA PHE A 70 1.953 -9.155 6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.095 -10.348 5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.568 -8.726 5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.085 -7.615 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.414 -11.832 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.373 -8.113 1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.747 -12.327 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.707 -10.465 0.697 1.00 0.00 H new ATOM 1038 N VAL A 71 3.083 -10.466 4.370 1.00 0.00 N ATOM 1039 CA VAL A 71 3.882 -11.262 3.442 1.00 0.00 C ATOM 1040 C VAL A 71 2.904 -12.115 2.633 1.00 0.00 C ATOM 1041 O VAL A 71 2.536 -13.216 3.037 1.00 0.00 O ATOM 1042 CB VAL A 71 4.937 -12.137 4.168 1.00 0.00 C ATOM 1043 CG1 VAL A 71 6.027 -12.539 3.172 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.617 -11.464 5.367 1.00 0.00 C ATOM 0 H VAL A 71 3.145 -10.805 5.330 1.00 0.00 H new ATOM 0 HA VAL A 71 4.458 -10.606 2.789 1.00 0.00 H new ATOM 0 HB VAL A 71 4.387 -12.993 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.772 -13.154 3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.582 -13.106 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.505 -11.644 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.338 -12.152 5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.132 -10.563 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.865 -11.199 6.110 1.00 0.00 H new ATOM 1054 N SER A 72 2.417 -11.579 1.513 1.00 0.00 N ATOM 1055 CA SER A 72 1.382 -12.228 0.697 1.00 0.00 C ATOM 1056 C SER A 72 1.862 -13.452 -0.105 1.00 0.00 C ATOM 1057 O SER A 72 1.052 -14.047 -0.816 1.00 0.00 O ATOM 1058 CB SER A 72 0.757 -11.198 -0.250 1.00 0.00 C ATOM 1059 OG SER A 72 -0.338 -11.789 -0.921 1.00 0.00 O ATOM 0 H SER A 72 2.728 -10.681 1.143 1.00 0.00 H new ATOM 0 HA SER A 72 0.646 -12.614 1.403 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.427 -10.324 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.498 -10.853 -0.971 1.00 0.00 H new ATOM 0 HG SER A 72 -0.271 -12.765 -0.861 1.00 0.00 H new ATOM 1065 N VAL A 73 3.156 -13.795 -0.053 1.00 0.00 N ATOM 1066 CA VAL A 73 3.792 -14.826 -0.885 1.00 0.00 C ATOM 1067 C VAL A 73 5.064 -15.356 -0.217 1.00 0.00 C ATOM 1068 O VAL A 73 5.843 -14.581 0.324 1.00 0.00 O ATOM 1069 CB VAL A 73 4.173 -14.282 -2.293 1.00 0.00 C ATOM 1070 CG1 VAL A 73 3.298 -14.934 -3.366 1.00 0.00 C ATOM 1071 CG2 VAL A 73 4.120 -12.754 -2.472 1.00 0.00 C ATOM 0 H VAL A 73 3.810 -13.348 0.590 1.00 0.00 H new ATOM 0 HA VAL A 73 3.062 -15.627 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 73 5.224 -14.550 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.574 -14.545 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.446 -16.014 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.250 -14.708 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.406 -12.497 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.107 -12.400 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.809 -12.282 -1.772 1.00 0.00 H new ATOM 1081 N ALA A 74 5.347 -16.656 -0.347 1.00 0.00 N ATOM 1082 CA ALA A 74 6.676 -17.212 -0.056 1.00 0.00 C ATOM 1083 C ALA A 74 7.738 -16.697 -1.055 1.00 0.00 C ATOM 1084 O ALA A 74 8.914 -16.538 -0.729 1.00 0.00 O ATOM 1085 CB ALA A 74 6.563 -18.737 -0.100 1.00 0.00 C ATOM 0 H ALA A 74 4.667 -17.351 -0.655 1.00 0.00 H new ATOM 0 HA ALA A 74 7.006 -16.889 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.536 -19.180 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.842 -19.070 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.231 -19.049 -1.090 1.00 0.00 H new ATOM 1091 N THR A 75 7.278 -16.351 -2.263 1.00 0.00 N ATOM 1092 CA THR A 75 7.962 -15.635 -3.344 1.00 0.00 C ATOM 1093 C THR A 75 8.281 -14.163 -3.023 1.00 0.00 C ATOM 1094 O THR A 75 8.750 -13.440 -3.897 1.00 0.00 O ATOM 1095 CB THR A 75 7.122 -15.706 -4.642 1.00 0.00 C ATOM 1096 OG1 THR A 75 6.067 -16.649 -4.550 1.00 0.00 O ATOM 1097 CG2 THR A 75 7.981 -16.119 -5.838 1.00 0.00 C ATOM 0 H THR A 75 6.324 -16.589 -2.533 1.00 0.00 H new ATOM 0 HA THR A 75 8.920 -16.139 -3.472 1.00 0.00 H new ATOM 0 HB THR A 75 6.716 -14.704 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.563 -16.659 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.362 -16.160 -6.734 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.779 -15.391 -5.981 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.415 -17.101 -5.652 1.00 0.00 H new ATOM 1105 N ALA A 76 8.054 -13.685 -1.790 1.00 0.00 N ATOM 1106 CA ALA A 76 8.352 -12.324 -1.326 1.00 0.00 C ATOM 1107 C ALA A 76 9.851 -11.944 -1.305 1.00 0.00 C ATOM 1108 O ALA A 76 10.194 -10.957 -0.665 1.00 0.00 O ATOM 1109 CB ALA A 76 7.726 -12.141 0.065 1.00 0.00 C ATOM 0 H ALA A 76 7.640 -14.263 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 76 7.917 -11.643 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.936 -11.135 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.648 -12.286 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.150 -12.872 0.754 1.00 0.00 H new ATOM 1115 N ASN A 77 10.730 -12.680 -2.003 1.00 0.00 N ATOM 1116 CA ASN A 77 12.212 -12.676 -2.016 1.00 0.00 C ATOM 1117 C ASN A 77 12.875 -11.334 -2.431 1.00 0.00 C ATOM 1118 O ASN A 77 14.046 -11.300 -2.806 1.00 0.00 O ATOM 1119 CB ASN A 77 12.706 -13.836 -2.915 1.00 0.00 C ATOM 1120 CG ASN A 77 11.820 -15.078 -2.894 1.00 0.00 C ATOM 1121 OD1 ASN A 77 11.169 -15.392 -3.875 1.00 0.00 O ATOM 1122 ND2 ASN A 77 11.686 -15.773 -1.784 1.00 0.00 N ATOM 0 H ASN A 77 10.380 -13.382 -2.655 1.00 0.00 H new ATOM 0 HA ASN A 77 12.525 -12.814 -0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.781 -13.476 -3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.711 -14.118 -2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.043 -16.564 -1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.225 -15.520 -0.956 1.00 0.00 H new ATOM 1129 N ALA A 78 12.113 -10.241 -2.420 1.00 0.00 N ATOM 1130 CA ALA A 78 12.450 -8.909 -2.879 1.00 0.00 C ATOM 1131 C ALA A 78 13.485 -8.180 -2.003 1.00 0.00 C ATOM 1132 O ALA A 78 13.800 -8.562 -0.872 1.00 0.00 O ATOM 1133 CB ALA A 78 11.135 -8.112 -2.931 1.00 0.00 C ATOM 0 H ALA A 78 11.161 -10.277 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 78 12.926 -8.992 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.338 -7.097 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.443 -8.596 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.691 -8.078 -1.936 1.00 0.00 H new ATOM 1139 N LYS A 79 13.920 -7.044 -2.555 1.00 0.00 N ATOM 1140 CA LYS A 79 14.641 -5.928 -1.952 1.00 0.00 C ATOM 1141 C LYS A 79 13.721 -4.720 -2.160 1.00 0.00 C ATOM 1142 O LYS A 79 13.564 -4.257 -3.288 1.00 0.00 O ATOM 1143 CB LYS A 79 16.032 -5.856 -2.615 1.00 0.00 C ATOM 1144 CG LYS A 79 16.817 -4.544 -2.443 1.00 0.00 C ATOM 1145 CD LYS A 79 16.867 -3.721 -3.740 1.00 0.00 C ATOM 1146 CE LYS A 79 17.826 -2.531 -3.606 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.146 -1.242 -3.849 1.00 0.00 N ATOM 0 H LYS A 79 13.755 -6.868 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 79 14.851 -6.004 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.640 -6.669 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.909 -6.041 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.357 -3.948 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.833 -4.771 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.186 -4.357 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.868 -3.360 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.263 -2.528 -2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.648 -2.646 -4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.669 -0.479 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.112 -1.055 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.177 -1.284 -3.473 1.00 0.00 H new ATOM 1161 N VAL A 80 12.976 -4.354 -1.113 1.00 0.00 N ATOM 1162 CA VAL A 80 11.697 -3.633 -1.200 1.00 0.00 C ATOM 1163 C VAL A 80 11.649 -2.431 -0.255 1.00 0.00 C ATOM 1164 O VAL A 80 11.925 -2.529 0.944 1.00 0.00 O ATOM 1165 CB VAL A 80 10.497 -4.592 -1.024 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.562 -5.472 0.233 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.158 -3.837 -1.041 1.00 0.00 C ATOM 0 H VAL A 80 13.252 -4.556 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 80 11.618 -3.220 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 80 10.562 -5.259 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.681 -6.112 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.459 -6.091 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.593 -4.838 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.339 -4.545 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.139 -3.112 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.045 -3.318 -1.993 1.00 0.00 H new ATOM 1177 N LEU A 81 11.312 -1.289 -0.860 1.00 0.00 N ATOM 1178 CA LEU A 81 11.364 0.071 -0.340 1.00 0.00 C ATOM 1179 C LEU A 81 9.937 0.522 0.020 1.00 0.00 C ATOM 1180 O LEU A 81 9.040 0.494 -0.821 1.00 0.00 O ATOM 1181 CB LEU A 81 12.046 0.905 -1.448 1.00 0.00 C ATOM 1182 CG LEU A 81 12.380 2.384 -1.193 1.00 0.00 C ATOM 1183 CD1 LEU A 81 11.140 3.246 -0.991 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.362 2.585 -0.040 1.00 0.00 C ATOM 0 H LEU A 81 10.963 -1.300 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 81 11.936 0.182 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.977 0.401 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.404 0.863 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 81 12.872 2.719 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.440 4.279 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.513 3.196 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.579 2.880 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.558 3.649 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.934 2.180 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.296 2.069 -0.263 1.00 0.00 H new ATOM 1196 N ILE A 82 9.730 0.892 1.288 1.00 0.00 N ATOM 1197 CA ILE A 82 8.432 1.099 1.941 1.00 0.00 C ATOM 1198 C ILE A 82 8.395 2.505 2.562 1.00 0.00 C ATOM 1199 O ILE A 82 9.312 2.870 3.297 1.00 0.00 O ATOM 1200 CB ILE A 82 8.248 -0.010 3.015 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.142 -1.409 2.356 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.019 0.226 3.911 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.152 -2.579 3.349 1.00 0.00 C ATOM 0 H ILE A 82 10.509 1.065 1.923 1.00 0.00 H new ATOM 0 HA ILE A 82 7.614 1.033 1.224 1.00 0.00 H new ATOM 0 HB ILE A 82 9.135 0.033 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.224 -1.453 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.971 -1.533 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 82 6.941 -0.579 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.125 1.178 4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.119 0.246 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.074 -3.520 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.082 -2.565 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.307 -2.484 4.031 1.00 0.00 H new ATOM 1215 N GLU A 83 7.332 3.281 2.307 1.00 0.00 N ATOM 1216 CA GLU A 83 7.010 4.491 3.071 1.00 0.00 C ATOM 1217 C GLU A 83 6.316 4.149 4.401 1.00 0.00 C ATOM 1218 O GLU A 83 5.322 3.411 4.434 1.00 0.00 O ATOM 1219 CB GLU A 83 6.107 5.467 2.287 1.00 0.00 C ATOM 1220 CG GLU A 83 6.840 6.248 1.197 1.00 0.00 C ATOM 1221 CD GLU A 83 5.992 7.390 0.619 1.00 0.00 C ATOM 1222 OE1 GLU A 83 5.712 8.363 1.368 1.00 0.00 O ATOM 1223 OE2 GLU A 83 5.678 7.350 -0.588 1.00 0.00 O ATOM 0 H GLU A 83 6.668 3.084 1.559 1.00 0.00 H new ATOM 0 HA GLU A 83 7.966 4.977 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.291 4.906 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.658 6.172 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.763 6.657 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.122 5.567 0.394 1.00 0.00 H new ATOM 1230 N LEU A 84 6.794 4.780 5.480 1.00 0.00 N ATOM 1231 CA LEU A 84 6.153 4.897 6.794 1.00 0.00 C ATOM 1232 C LEU A 84 5.916 6.381 7.130 1.00 0.00 C ATOM 1233 O LEU A 84 6.617 7.263 6.638 1.00 0.00 O ATOM 1234 CB LEU A 84 7.050 4.237 7.866 1.00 0.00 C ATOM 1235 CG LEU A 84 6.711 2.776 8.209 1.00 0.00 C ATOM 1236 CD1 LEU A 84 6.823 1.829 7.015 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.675 2.267 9.276 1.00 0.00 C ATOM 0 H LEU A 84 7.697 5.253 5.456 1.00 0.00 H new ATOM 0 HA LEU A 84 5.190 4.387 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.084 4.281 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.990 4.829 8.779 1.00 0.00 H new ATOM 0 HG LEU A 84 5.676 2.780 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.570 0.816 7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.136 2.148 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.843 1.846 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.435 1.232 9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.697 2.324 8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.583 2.881 10.172 1.00 0.00 H new ATOM 1249 N GLU A 85 4.957 6.653 8.019 1.00 0.00 N ATOM 1250 CA GLU A 85 4.753 7.960 8.647 1.00 0.00 C ATOM 1251 C GLU A 85 5.595 8.019 9.936 1.00 0.00 C ATOM 1252 O GLU A 85 5.300 7.278 10.885 1.00 0.00 O ATOM 1253 CB GLU A 85 3.265 8.185 8.956 1.00 0.00 C ATOM 1254 CG GLU A 85 2.965 9.589 9.509 1.00 0.00 C ATOM 1255 CD GLU A 85 1.502 9.727 9.960 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.597 9.444 9.138 1.00 0.00 O ATOM 1257 OE2 GLU A 85 1.281 10.088 11.141 1.00 0.00 O ATOM 0 H GLU A 85 4.284 5.952 8.329 1.00 0.00 H new ATOM 0 HA GLU A 85 5.069 8.751 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.684 8.028 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.934 7.439 9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.625 9.796 10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.181 10.334 8.744 1.00 0.00 H new ATOM 1264 N PRO A 86 6.649 8.855 9.992 1.00 0.00 N ATOM 1265 CA PRO A 86 7.395 9.120 11.212 1.00 0.00 C ATOM 1266 C PRO A 86 6.610 10.111 12.095 1.00 0.00 C ATOM 1267 O PRO A 86 6.265 11.196 11.620 1.00 0.00 O ATOM 1268 CB PRO A 86 8.720 9.723 10.732 1.00 0.00 C ATOM 1269 CG PRO A 86 8.344 10.466 9.451 1.00 0.00 C ATOM 1270 CD PRO A 86 7.148 9.690 8.910 1.00 0.00 C ATOM 0 HA PRO A 86 7.560 8.228 11.817 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.144 10.398 11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.465 8.950 10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.086 11.505 9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.169 10.475 8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.373 10.372 8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.441 9.079 8.056 1.00 0.00 H new ATOM 1278 N PRO A 87 6.323 9.798 13.375 1.00 0.00 N ATOM 1279 CA PRO A 87 5.814 10.802 14.304 1.00 0.00 C ATOM 1280 C PRO A 87 6.882 11.876 14.593 1.00 0.00 C ATOM 1281 O PRO A 87 8.062 11.711 14.281 1.00 0.00 O ATOM 1282 CB PRO A 87 5.377 10.018 15.547 1.00 0.00 C ATOM 1283 CG PRO A 87 6.266 8.777 15.531 1.00 0.00 C ATOM 1284 CD PRO A 87 6.498 8.518 14.045 1.00 0.00 C ATOM 0 HA PRO A 87 4.971 11.363 13.901 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.520 10.600 16.457 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.321 9.753 15.501 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.204 8.949 16.059 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.780 7.930 16.014 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.498 8.122 13.871 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.792 7.780 13.664 1.00 0.00 H new ATOM 1292 N PHE A 88 6.451 13.004 15.167 1.00 0.00 N ATOM 1293 CA PHE A 88 7.337 14.124 15.489 1.00 0.00 C ATOM 1294 C PHE A 88 8.267 13.824 16.674 1.00 0.00 C ATOM 1295 O PHE A 88 7.962 13.022 17.557 1.00 0.00 O ATOM 1296 CB PHE A 88 6.501 15.385 15.764 1.00 0.00 C ATOM 1297 CG PHE A 88 6.146 16.159 14.509 1.00 0.00 C ATOM 1298 CD1 PHE A 88 4.996 15.832 13.764 1.00 0.00 C ATOM 1299 CD2 PHE A 88 6.982 17.207 14.079 1.00 0.00 C ATOM 1300 CE1 PHE A 88 4.683 16.555 12.599 1.00 0.00 C ATOM 1301 CE2 PHE A 88 6.670 17.929 12.913 1.00 0.00 C ATOM 1302 CZ PHE A 88 5.519 17.604 12.174 1.00 0.00 C ATOM 0 H PHE A 88 5.476 13.165 15.421 1.00 0.00 H new ATOM 0 HA PHE A 88 7.980 14.290 14.625 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.583 15.098 16.277 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.053 16.038 16.440 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.354 15.026 14.088 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.866 17.457 14.647 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.800 16.305 12.030 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.314 18.732 12.586 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.276 18.159 11.280 1.00 0.00 H new ATOM 1312 N GLY A 89 9.396 14.535 16.699 1.00 0.00 N ATOM 1313 CA GLY A 89 10.471 14.375 17.665 1.00 0.00 C ATOM 1314 C GLY A 89 11.370 13.217 17.252 1.00 0.00 C ATOM 1315 O GLY A 89 12.344 13.412 16.530 1.00 0.00 O ATOM 0 H GLY A 89 9.589 15.267 16.016 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.053 15.294 17.730 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.057 14.190 18.656 1.00 0.00 H new ATOM 1319 N ASP A 90 11.015 12.003 17.667 1.00 0.00 N ATOM 1320 CA ASP A 90 11.682 10.766 17.260 1.00 0.00 C ATOM 1321 C ASP A 90 10.698 9.850 16.533 1.00 0.00 C ATOM 1322 O ASP A 90 9.487 9.928 16.727 1.00 0.00 O ATOM 1323 CB ASP A 90 12.291 10.057 18.486 1.00 0.00 C ATOM 1324 CG ASP A 90 13.731 10.459 18.802 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.432 11.006 17.918 1.00 0.00 O ATOM 1326 OD2 ASP A 90 14.204 10.170 19.927 1.00 0.00 O ATOM 0 H ASP A 90 10.239 11.847 18.310 1.00 0.00 H new ATOM 0 HA ASP A 90 12.492 11.012 16.573 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.670 10.267 19.357 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.256 8.980 18.321 1.00 0.00 H new ATOM 1331 N SER A 91 11.242 8.957 15.704 1.00 0.00 N ATOM 1332 CA SER A 91 10.479 7.972 14.946 1.00 0.00 C ATOM 1333 C SER A 91 11.306 6.695 14.820 1.00 0.00 C ATOM 1334 O SER A 91 12.184 6.596 13.954 1.00 0.00 O ATOM 1335 CB SER A 91 10.092 8.537 13.577 1.00 0.00 C ATOM 1336 OG SER A 91 11.245 8.776 12.804 1.00 0.00 O ATOM 0 H SER A 91 12.247 8.900 15.540 1.00 0.00 H new ATOM 0 HA SER A 91 9.552 7.735 15.468 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.437 7.837 13.059 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.532 9.464 13.703 1.00 0.00 H new ATOM 0 HG SER A 91 11.923 8.098 13.009 1.00 0.00 H new ATOM 1342 N TYR A 92 11.060 5.740 15.713 1.00 0.00 N ATOM 1343 CA TYR A 92 11.730 4.450 15.739 1.00 0.00 C ATOM 1344 C TYR A 92 10.863 3.415 15.017 1.00 0.00 C ATOM 1345 O TYR A 92 9.637 3.364 15.164 1.00 0.00 O ATOM 1346 CB TYR A 92 12.092 4.075 17.185 1.00 0.00 C ATOM 1347 CG TYR A 92 12.954 5.088 17.941 1.00 0.00 C ATOM 1348 CD1 TYR A 92 13.747 6.048 17.269 1.00 0.00 C ATOM 1349 CD2 TYR A 92 12.955 5.076 19.351 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.494 6.997 17.989 1.00 0.00 C ATOM 1351 CE2 TYR A 92 13.712 6.014 20.078 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.476 6.986 19.399 1.00 0.00 C ATOM 1353 OH TYR A 92 15.188 7.907 20.101 1.00 0.00 O ATOM 0 H TYR A 92 10.370 5.848 16.457 1.00 0.00 H new ATOM 0 HA TYR A 92 12.676 4.489 15.199 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.168 3.925 17.743 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.616 3.119 17.172 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.779 6.052 16.189 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.368 4.339 19.879 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.082 7.734 17.462 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.708 5.989 21.158 1.00 0.00 H new ATOM 0 HH TYR A 92 14.588 8.615 20.414 1.00 0.00 H new ATOM 1363 N ILE A 93 11.536 2.635 14.174 1.00 0.00 N ATOM 1364 CA ILE A 93 10.972 1.866 13.072 1.00 0.00 C ATOM 1365 C ILE A 93 11.194 0.390 13.387 1.00 0.00 C ATOM 1366 O ILE A 93 12.259 -0.169 13.114 1.00 0.00 O ATOM 1367 CB ILE A 93 11.606 2.316 11.735 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.498 3.841 11.473 1.00 0.00 C ATOM 1369 CG2 ILE A 93 11.011 1.504 10.577 1.00 0.00 C ATOM 1370 CD1 ILE A 93 10.077 4.411 11.370 1.00 0.00 C ATOM 0 H ILE A 93 12.547 2.517 14.248 1.00 0.00 H new ATOM 0 HA ILE A 93 9.901 2.035 12.960 1.00 0.00 H new ATOM 0 HB ILE A 93 12.675 2.115 11.808 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.020 4.364 12.274 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.026 4.068 10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.461 1.826 9.638 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.215 0.445 10.733 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.934 1.664 10.536 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.128 5.484 11.186 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.549 3.927 10.548 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.543 4.228 12.302 1.00 0.00 H new ATOM 1382 N VAL A 94 10.213 -0.211 14.059 1.00 0.00 N ATOM 1383 CA VAL A 94 10.311 -1.570 14.597 1.00 0.00 C ATOM 1384 C VAL A 94 9.834 -2.569 13.542 1.00 0.00 C ATOM 1385 O VAL A 94 8.854 -2.318 12.840 1.00 0.00 O ATOM 1386 CB VAL A 94 9.533 -1.708 15.926 1.00 0.00 C ATOM 1387 CG1 VAL A 94 9.893 -3.023 16.635 1.00 0.00 C ATOM 1388 CG2 VAL A 94 9.857 -0.554 16.892 1.00 0.00 C ATOM 0 H VAL A 94 9.316 0.237 14.248 1.00 0.00 H new ATOM 0 HA VAL A 94 11.353 -1.789 14.830 1.00 0.00 H new ATOM 0 HB VAL A 94 8.474 -1.689 15.670 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.334 -3.098 17.568 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.640 -3.865 15.991 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.961 -3.040 16.850 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.293 -0.683 17.816 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.924 -0.555 17.115 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.584 0.395 16.430 1.00 0.00 H new ATOM 1398 N VAL A 95 10.544 -3.694 13.428 1.00 0.00 N ATOM 1399 CA VAL A 95 10.282 -4.806 12.510 1.00 0.00 C ATOM 1400 C VAL A 95 10.395 -6.087 13.338 1.00 0.00 C ATOM 1401 O VAL A 95 11.492 -6.613 13.508 1.00 0.00 O ATOM 1402 CB VAL A 95 11.269 -4.777 11.315 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.172 -6.021 10.415 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.003 -3.562 10.415 1.00 0.00 C ATOM 0 H VAL A 95 11.366 -3.863 14.008 1.00 0.00 H new ATOM 0 HA VAL A 95 9.288 -4.739 12.067 1.00 0.00 H new ATOM 0 HB VAL A 95 12.259 -4.736 11.769 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.889 -5.936 9.599 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.393 -6.913 11.002 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.164 -6.097 10.006 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.708 -3.564 9.584 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.985 -3.612 10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.126 -2.647 10.994 1.00 0.00 H new ATOM 1414 N GLY A 96 9.292 -6.571 13.918 1.00 0.00 N ATOM 1415 CA GLY A 96 9.362 -7.779 14.733 1.00 0.00 C ATOM 1416 C GLY A 96 8.202 -8.119 15.655 1.00 0.00 C ATOM 1417 O GLY A 96 7.383 -7.273 16.001 1.00 0.00 O ATOM 0 H GLY A 96 8.364 -6.155 13.840 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.503 -8.623 14.058 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.260 -7.709 15.347 1.00 0.00 H new ATOM 1421 N ARG A 97 8.209 -9.374 16.123 1.00 0.00 N ATOM 1422 CA ARG A 97 7.365 -9.879 17.214 1.00 0.00 C ATOM 1423 C ARG A 97 8.152 -10.877 18.064 1.00 0.00 C ATOM 1424 O ARG A 97 8.953 -11.635 17.523 1.00 0.00 O ATOM 1425 CB ARG A 97 6.066 -10.499 16.649 1.00 0.00 C ATOM 1426 CG ARG A 97 6.251 -11.855 15.930 1.00 0.00 C ATOM 1427 CD ARG A 97 5.984 -13.027 16.892 1.00 0.00 C ATOM 1428 NE ARG A 97 6.671 -14.275 16.517 1.00 0.00 N ATOM 1429 CZ ARG A 97 6.142 -15.331 15.915 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.962 -15.312 15.336 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.801 -16.460 15.886 1.00 0.00 N ATOM 0 H ARG A 97 8.824 -10.091 15.739 1.00 0.00 H new ATOM 0 HA ARG A 97 7.074 -9.050 17.859 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.358 -10.632 17.467 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.617 -9.792 15.951 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.572 -11.916 15.079 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.264 -11.927 15.535 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.297 -12.739 17.896 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.911 -13.213 16.934 1.00 0.00 H new ATOM 0 HE ARG A 97 7.663 -14.333 16.746 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.407 -14.456 15.336 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.601 -16.153 14.886 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.719 -16.526 16.326 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.397 -17.275 15.424 1.00 0.00 H new ATOM 1445 N GLY A 98 7.859 -10.922 19.367 1.00 0.00 N ATOM 1446 CA GLY A 98 8.397 -11.870 20.351 1.00 0.00 C ATOM 1447 C GLY A 98 9.892 -12.182 20.204 1.00 0.00 C ATOM 1448 O GLY A 98 10.733 -11.415 20.665 1.00 0.00 O ATOM 0 H GLY A 98 7.204 -10.263 19.788 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.221 -11.471 21.350 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.838 -12.803 20.277 1.00 0.00 H new ATOM 1452 N GLU A 99 10.214 -13.319 19.583 1.00 0.00 N ATOM 1453 CA GLU A 99 11.572 -13.820 19.365 1.00 0.00 C ATOM 1454 C GLU A 99 12.248 -13.262 18.105 1.00 0.00 C ATOM 1455 O GLU A 99 13.473 -13.192 18.040 1.00 0.00 O ATOM 1456 CB GLU A 99 11.526 -15.363 19.305 1.00 0.00 C ATOM 1457 CG GLU A 99 11.154 -16.031 17.959 1.00 0.00 C ATOM 1458 CD GLU A 99 9.738 -15.797 17.397 1.00 0.00 C ATOM 1459 OE1 GLU A 99 8.932 -14.995 17.921 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.422 -16.411 16.352 1.00 0.00 O ATOM 0 H GLU A 99 9.503 -13.943 19.202 1.00 0.00 H new ATOM 0 HA GLU A 99 12.180 -13.475 20.201 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.505 -15.737 19.603 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.812 -15.704 20.055 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.870 -15.692 17.210 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.294 -17.106 18.071 1.00 0.00 H new ATOM 1467 N GLN A 100 11.456 -12.876 17.101 1.00 0.00 N ATOM 1468 CA GLN A 100 11.913 -12.456 15.781 1.00 0.00 C ATOM 1469 C GLN A 100 11.721 -10.943 15.659 1.00 0.00 C ATOM 1470 O GLN A 100 10.711 -10.478 15.128 1.00 0.00 O ATOM 1471 CB GLN A 100 11.241 -13.307 14.675 1.00 0.00 C ATOM 1472 CG GLN A 100 9.699 -13.319 14.654 1.00 0.00 C ATOM 1473 CD GLN A 100 9.136 -14.268 13.603 1.00 0.00 C ATOM 1474 OE1 GLN A 100 8.638 -13.852 12.565 1.00 0.00 O ATOM 1475 NE2 GLN A 100 9.164 -15.565 13.826 1.00 0.00 N ATOM 0 H GLN A 100 10.441 -12.848 17.193 1.00 0.00 H new ATOM 0 HA GLN A 100 12.979 -12.641 15.645 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.592 -12.947 13.708 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.588 -14.335 14.778 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.328 -13.609 15.637 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.334 -12.310 14.461 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.576 -15.926 14.687 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.774 -16.209 13.138 1.00 0.00 H new ATOM 1484 N GLN A 101 12.669 -10.160 16.199 1.00 0.00 N ATOM 1485 CA GLN A 101 12.560 -8.700 16.179 1.00 0.00 C ATOM 1486 C GLN A 101 13.849 -7.941 15.873 1.00 0.00 C ATOM 1487 O GLN A 101 14.944 -8.317 16.278 1.00 0.00 O ATOM 1488 CB GLN A 101 11.861 -8.192 17.462 1.00 0.00 C ATOM 1489 CG GLN A 101 12.738 -8.125 18.732 1.00 0.00 C ATOM 1490 CD GLN A 101 13.059 -6.687 19.167 1.00 0.00 C ATOM 1491 OE1 GLN A 101 12.658 -6.244 20.230 1.00 0.00 O ATOM 1492 NE2 GLN A 101 13.775 -5.917 18.363 1.00 0.00 N ATOM 0 H GLN A 101 13.512 -10.514 16.651 1.00 0.00 H new ATOM 0 HA GLN A 101 11.934 -8.470 15.317 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.465 -7.196 17.265 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.008 -8.839 17.667 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.228 -8.639 19.546 1.00 0.00 H new ATOM 0 HG3 GLN A 101 13.670 -8.660 18.551 1.00 0.00 H new ATOM 0 HE21 GLN A 101 14.112 -6.283 17.473 1.00 0.00 H new ATOM 0 HE22 GLN A 101 13.989 -4.957 18.634 1.00 0.00 H new ATOM 1501 N ILE A 102 13.664 -6.793 15.221 1.00 0.00 N ATOM 1502 CA ILE A 102 14.660 -5.806 14.814 1.00 0.00 C ATOM 1503 C ILE A 102 14.042 -4.406 14.979 1.00 0.00 C ATOM 1504 O ILE A 102 12.819 -4.250 14.998 1.00 0.00 O ATOM 1505 CB ILE A 102 15.103 -6.003 13.333 1.00 0.00 C ATOM 1506 CG1 ILE A 102 14.774 -7.369 12.672 1.00 0.00 C ATOM 1507 CG2 ILE A 102 16.617 -5.732 13.251 1.00 0.00 C ATOM 1508 CD1 ILE A 102 14.922 -7.356 11.144 1.00 0.00 C ATOM 0 H ILE A 102 12.727 -6.506 14.939 1.00 0.00 H new ATOM 0 HA ILE A 102 15.545 -5.925 15.439 1.00 0.00 H new ATOM 0 HB ILE A 102 14.507 -5.296 12.756 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.431 -8.133 13.087 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.753 -7.652 12.929 1.00 0.00 H new ATOM 0 HG21 ILE A 102 16.955 -5.863 12.223 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.822 -4.711 13.573 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.147 -6.430 13.899 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.677 -8.341 10.746 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.245 -6.615 10.719 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.949 -7.103 10.880 1.00 0.00 H new ATOM 1520 N ASN A 103 14.877 -3.368 15.033 1.00 0.00 N ATOM 1521 CA ASN A 103 14.428 -1.978 15.039 1.00 0.00 C ATOM 1522 C ASN A 103 15.473 -1.061 14.392 1.00 0.00 C ATOM 1523 O ASN A 103 16.674 -1.300 14.498 1.00 0.00 O ATOM 1524 CB ASN A 103 14.063 -1.546 16.478 1.00 0.00 C ATOM 1525 CG ASN A 103 14.961 -2.131 17.562 1.00 0.00 C ATOM 1526 OD1 ASN A 103 14.629 -3.126 18.196 1.00 0.00 O ATOM 1527 ND2 ASN A 103 16.120 -1.549 17.807 1.00 0.00 N ATOM 0 H ASN A 103 15.891 -3.470 15.074 1.00 0.00 H new ATOM 0 HA ASN A 103 13.526 -1.889 14.434 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.104 -0.458 16.538 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.033 -1.838 16.681 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.739 -1.927 18.524 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.396 -0.721 17.279 1.00 0.00 H new ATOM 1534 N HIS A 104 14.987 -0.002 13.743 1.00 0.00 N ATOM 1535 CA HIS A 104 15.754 1.103 13.171 1.00 0.00 C ATOM 1536 C HIS A 104 15.353 2.414 13.861 1.00 0.00 C ATOM 1537 O HIS A 104 14.291 2.500 14.483 1.00 0.00 O ATOM 1538 CB HIS A 104 15.504 1.174 11.650 1.00 0.00 C ATOM 1539 CG HIS A 104 16.749 1.002 10.818 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.143 -0.156 10.191 1.00 0.00 N ATOM 1541 CD2 HIS A 104 17.666 1.971 10.515 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.280 0.110 9.523 1.00 0.00 C ATOM 1543 NE2 HIS A 104 18.631 1.398 9.681 1.00 0.00 N ATOM 0 H HIS A 104 13.985 0.113 13.594 1.00 0.00 H new ATOM 0 HA HIS A 104 16.820 0.941 13.334 1.00 0.00 H new ATOM 0 HB2 HIS A 104 14.785 0.403 11.374 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.049 2.135 11.411 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.661 -1.054 10.226 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.648 2.995 10.858 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.834 -0.611 8.941 1.00 0.00 H new ATOM 1551 N HIS A 105 16.179 3.455 13.727 1.00 0.00 N ATOM 1552 CA HIS A 105 16.007 4.707 14.461 1.00 0.00 C ATOM 1553 C HIS A 105 16.117 5.908 13.524 1.00 0.00 C ATOM 1554 O HIS A 105 17.070 6.009 12.751 1.00 0.00 O ATOM 1555 CB HIS A 105 17.020 4.759 15.620 1.00 0.00 C ATOM 1556 CG HIS A 105 16.892 3.560 16.533 1.00 0.00 C ATOM 1557 ND1 HIS A 105 15.767 3.221 17.250 1.00 0.00 N ATOM 1558 CD2 HIS A 105 17.784 2.526 16.648 1.00 0.00 C ATOM 1559 CE1 HIS A 105 15.970 1.996 17.763 1.00 0.00 C ATOM 1560 NE2 HIS A 105 17.179 1.527 17.421 1.00 0.00 N ATOM 0 H HIS A 105 16.987 3.451 13.105 1.00 0.00 H new ATOM 0 HA HIS A 105 15.006 4.750 14.890 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.032 4.802 15.217 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.867 5.672 16.196 1.00 0.00 H new ATOM 0 HD1 HIS A 105 14.932 3.795 17.370 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.775 2.488 16.220 1.00 0.00 H new ATOM 0 HE1 HIS A 105 15.255 1.460 18.370 1.00 0.00 H new ATOM 1568 N TRP A 106 15.133 6.810 13.596 1.00 0.00 N ATOM 1569 CA TRP A 106 15.158 8.104 12.924 1.00 0.00 C ATOM 1570 C TRP A 106 14.628 9.214 13.841 1.00 0.00 C ATOM 1571 O TRP A 106 14.038 8.962 14.898 1.00 0.00 O ATOM 1572 CB TRP A 106 14.393 8.019 11.593 1.00 0.00 C ATOM 1573 CG TRP A 106 15.102 8.625 10.428 1.00 0.00 C ATOM 1574 CD1 TRP A 106 16.115 8.033 9.760 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.865 9.903 9.758 1.00 0.00 C ATOM 1576 NE1 TRP A 106 16.482 8.824 8.692 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.788 10.014 8.676 1.00 0.00 C ATOM 1578 CE3 TRP A 106 13.964 10.974 9.944 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 15.839 11.139 7.839 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.005 12.110 9.111 1.00 0.00 C ATOM 1581 CH2 TRP A 106 14.949 12.201 8.072 1.00 0.00 C ATOM 0 H TRP A 106 14.281 6.653 14.135 1.00 0.00 H new ATOM 0 HA TRP A 106 16.190 8.367 12.693 1.00 0.00 H new ATOM 0 HB2 TRP A 106 14.190 6.971 11.372 1.00 0.00 H new ATOM 0 HB3 TRP A 106 13.429 8.513 11.711 1.00 0.00 H new ATOM 0 HD1 TRP A 106 16.567 7.088 10.021 1.00 0.00 H new ATOM 0 HE1 TRP A 106 17.182 8.560 7.998 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.232 10.922 10.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.551 11.188 7.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 13.306 12.917 9.272 1.00 0.00 H new ATOM 0 HH2 TRP A 106 14.990 13.086 7.454 1.00 0.00 H new ATOM 1592 N HIS A 107 14.873 10.454 13.419 1.00 0.00 N ATOM 1593 CA HIS A 107 14.841 11.659 14.242 1.00 0.00 C ATOM 1594 C HIS A 107 14.223 12.790 13.408 1.00 0.00 C ATOM 1595 O HIS A 107 14.700 13.044 12.296 1.00 0.00 O ATOM 1596 CB HIS A 107 16.294 11.981 14.635 1.00 0.00 C ATOM 1597 CG HIS A 107 17.018 10.885 15.386 1.00 0.00 C ATOM 1598 ND1 HIS A 107 16.529 10.159 16.448 1.00 0.00 N ATOM 1599 CD2 HIS A 107 18.293 10.448 15.149 1.00 0.00 C ATOM 1600 CE1 HIS A 107 17.491 9.313 16.848 1.00 0.00 C ATOM 1601 NE2 HIS A 107 18.582 9.445 16.078 1.00 0.00 N ATOM 0 H HIS A 107 15.110 10.653 12.447 1.00 0.00 H new ATOM 0 HA HIS A 107 14.244 11.531 15.145 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.856 12.211 13.730 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.296 12.882 15.249 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.600 10.248 16.859 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.958 10.813 14.380 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.400 8.623 17.674 1.00 0.00 H new ATOM 1609 N LYS A 108 13.144 13.434 13.877 1.00 0.00 N ATOM 1610 CA LYS A 108 12.359 14.370 13.061 1.00 0.00 C ATOM 1611 C LYS A 108 11.720 15.521 13.850 1.00 0.00 C ATOM 1612 O LYS A 108 10.608 15.406 14.365 1.00 0.00 O ATOM 1613 CB LYS A 108 11.326 13.588 12.229 1.00 0.00 C ATOM 1614 CG LYS A 108 10.651 14.527 11.217 1.00 0.00 C ATOM 1615 CD LYS A 108 9.864 13.768 10.151 1.00 0.00 C ATOM 1616 CE LYS A 108 9.290 14.795 9.172 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.886 14.175 7.896 1.00 0.00 N ATOM 0 H LYS A 108 12.793 13.321 14.828 1.00 0.00 H new ATOM 0 HA LYS A 108 13.059 14.870 12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.815 12.766 11.706 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.576 13.147 12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.980 15.204 11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.410 15.142 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.511 13.063 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.063 13.188 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.429 15.286 9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.034 15.568 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.631 14.918 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.676 13.614 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.066 13.555 8.055 1.00 0.00 H new ATOM 1631 N SER A 109 12.373 16.684 13.798 1.00 0.00 N ATOM 1632 CA SER A 109 11.882 17.982 14.280 1.00 0.00 C ATOM 1633 C SER A 109 11.603 18.000 15.788 1.00 0.00 C ATOM 1634 O SER A 109 10.511 18.370 16.217 1.00 0.00 O ATOM 1635 CB SER A 109 10.672 18.457 13.457 1.00 0.00 C ATOM 1636 OG SER A 109 11.014 18.563 12.090 1.00 0.00 O ATOM 0 H SER A 109 13.309 16.752 13.398 1.00 0.00 H new ATOM 0 HA SER A 109 12.689 18.699 14.127 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.845 17.757 13.578 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.329 19.423 13.828 1.00 0.00 H new ATOM 0 HG SER A 109 10.233 18.864 11.580 1.00 0.00 H new ATOM 1642 N GLY A 110 12.608 17.623 16.588 1.00 0.00 N ATOM 1643 CA GLY A 110 12.598 17.764 18.049 1.00 0.00 C ATOM 1644 C GLY A 110 13.025 16.505 18.806 1.00 0.00 C ATOM 1645 O GLY A 110 12.511 16.245 19.891 1.00 0.00 O ATOM 0 H GLY A 110 13.467 17.204 16.231 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.260 18.584 18.328 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.594 18.043 18.369 1.00 0.00 H new ATOM 1649 N SER A 111 13.900 15.696 18.205 1.00 0.00 N ATOM 1650 CA SER A 111 14.371 14.398 18.687 1.00 0.00 C ATOM 1651 C SER A 111 14.985 14.396 20.096 1.00 0.00 C ATOM 1652 O SER A 111 15.408 15.428 20.619 1.00 0.00 O ATOM 1653 CB SER A 111 15.393 13.933 17.644 1.00 0.00 C ATOM 1654 OG SER A 111 16.037 12.742 18.014 1.00 0.00 O ATOM 0 H SER A 111 14.325 15.947 17.312 1.00 0.00 H new ATOM 0 HA SER A 111 13.517 13.729 18.794 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.891 13.788 16.688 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.138 14.715 17.497 1.00 0.00 H new ATOM 0 HG SER A 111 15.572 11.980 17.610 1.00 0.00 H new ATOM 1660 N SER A 112 15.191 13.188 20.642 1.00 0.00 N ATOM 1661 CA SER A 112 16.167 12.896 21.703 1.00 0.00 C ATOM 1662 C SER A 112 17.578 13.442 21.406 1.00 0.00 C ATOM 1663 O SER A 112 18.354 13.648 22.336 1.00 0.00 O ATOM 1664 CB SER A 112 16.265 11.379 21.916 1.00 0.00 C ATOM 1665 OG SER A 112 14.990 10.798 22.113 1.00 0.00 O ATOM 0 H SER A 112 14.668 12.363 20.349 1.00 0.00 H new ATOM 0 HA SER A 112 15.803 13.399 22.599 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.745 10.920 21.052 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.897 11.172 22.779 1.00 0.00 H new ATOM 0 HG SER A 112 14.605 10.552 21.246 1.00 0.00 H new ATOM 1671 N ILE A 113 17.900 13.714 20.130 1.00 0.00 N ATOM 1672 CA ILE A 113 19.113 14.404 19.659 1.00 0.00 C ATOM 1673 C ILE A 113 18.774 15.708 18.887 1.00 0.00 C ATOM 1674 O ILE A 113 19.533 16.172 18.042 1.00 0.00 O ATOM 1675 CB ILE A 113 20.034 13.385 18.932 1.00 0.00 C ATOM 1676 CG1 ILE A 113 21.462 13.877 18.597 1.00 0.00 C ATOM 1677 CG2 ILE A 113 19.396 12.819 17.652 1.00 0.00 C ATOM 1678 CD1 ILE A 113 22.234 14.427 19.801 1.00 0.00 C ATOM 0 H ILE A 113 17.289 13.444 19.359 1.00 0.00 H new ATOM 0 HA ILE A 113 19.699 14.775 20.500 1.00 0.00 H new ATOM 0 HB ILE A 113 20.143 12.602 19.683 1.00 0.00 H new ATOM 0 HG12 ILE A 113 22.027 13.051 18.164 1.00 0.00 H new ATOM 0 HG13 ILE A 113 21.397 14.654 17.835 1.00 0.00 H new ATOM 0 HG21 ILE A 113 20.082 12.113 17.185 1.00 0.00 H new ATOM 0 HG22 ILE A 113 18.466 12.309 17.904 1.00 0.00 H new ATOM 0 HG23 ILE A 113 19.186 13.634 16.959 1.00 0.00 H new ATOM 0 HD11 ILE A 113 23.225 14.750 19.481 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.694 15.275 20.223 1.00 0.00 H new ATOM 0 HD13 ILE A 113 22.333 13.648 20.557 1.00 0.00 H new ATOM 1690 N GLY A 114 17.607 16.314 19.148 1.00 0.00 N ATOM 1691 CA GLY A 114 17.158 17.630 18.665 1.00 0.00 C ATOM 1692 C GLY A 114 16.753 17.718 17.185 1.00 0.00 C ATOM 1693 O GLY A 114 15.938 18.567 16.832 1.00 0.00 O ATOM 0 H GLY A 114 16.905 15.870 19.740 1.00 0.00 H new ATOM 0 HA2 GLY A 114 16.307 17.943 19.270 1.00 0.00 H new ATOM 0 HA3 GLY A 114 17.958 18.349 18.843 1.00 0.00 H new ATOM 1697 N LYS A 115 17.310 16.838 16.344 1.00 0.00 N ATOM 1698 CA LYS A 115 17.005 16.604 14.923 1.00 0.00 C ATOM 1699 C LYS A 115 15.504 16.368 14.626 1.00 0.00 C ATOM 1700 O LYS A 115 14.724 16.100 15.566 1.00 0.00 O ATOM 1701 CB LYS A 115 17.953 15.466 14.469 1.00 0.00 C ATOM 1702 CG LYS A 115 17.699 14.850 13.087 1.00 0.00 C ATOM 1703 CD LYS A 115 17.812 15.839 11.915 1.00 0.00 C ATOM 1704 CE LYS A 115 16.972 15.403 10.707 1.00 0.00 C ATOM 1705 NZ LYS A 115 15.536 15.331 11.063 1.00 0.00 N ATOM 0 H LYS A 115 18.051 16.216 16.667 1.00 0.00 H new ATOM 0 HA LYS A 115 17.190 17.501 14.331 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.973 15.850 14.485 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.901 14.668 15.209 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.409 14.038 12.930 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.702 14.409 13.078 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.489 16.827 12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.856 15.928 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.113 16.107 9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.313 14.430 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.960 15.423 10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.336 14.417 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.302 16.102 11.720 1.00 0.00 H new