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 105 HIS : no HE2:sc= 1.34 K(o=4.7,f=-5.2!) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 2 K(o=4.7,f=-10!) USER MOD Set 1.3: A 111 SER OG : rot 90:sc= 1.36 USER MOD Set 2.1: A 101 GLN : amide:sc= 0.95 X(o=2.1,f=1.8) USER MOD Set 2.2: A 103 ASN : amide:sc= 1.18 X(o=2.1,f=1.8) USER MOD Set 3.1: A 46 LYS NZ :NH3+ 147:sc= 2.14 (180deg=1.13) USER MOD Set 3.2: A 68 ASN : amide:sc= 0.709 K(o=2.9,f=-3.7) USER MOD Set 4.1: A 27 THR OG1 : rot -119:sc= 1.52 USER MOD Set 4.2: A 31 THR OG1 : rot 174:sc= 2.07 USER MOD Set 5.1: A 19 LYS NZ :NH3+ -162:sc= 2.28 (180deg=0.539) USER MOD Set 5.2: A 37 GLN : amide:sc= -0.356 K(o=1.9,f=-10!) USER MOD Set 6.1: A 2 SER OG : rot 121:sc= 1.68 USER MOD Set 6.2: A 7 LYS NZ :NH3+ -153:sc= 2.86 (180deg=1.06) USER MOD Single : A 1 ILE N :NH3+ -166:sc= 0.893 (180deg=-0.0764!) USER MOD Single : A 5 GLN : amide:sc= 0.705 K(o=0.71,f=-5.3!) USER MOD Single : A 9 THR OG1 : rot 49:sc= 0.197 USER MOD Single : A 10 THR OG1 : rot 122:sc= 0.505 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= 1.39 (180deg=-0.41!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0829 USER MOD Single : A 29 HIS : no HE2:sc= 1.02 K(o=1,f=-3.2!) USER MOD Single : A 38 TYR OH : rot 18:sc= 1.2 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.024 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -159:sc= 0.843 USER MOD Single : A 51 SER OG : rot 172:sc= 1.2 USER MOD Single : A 54 SER OG : rot 180:sc= -0.117 USER MOD Single : A 56 ASN : amide:sc= 0.874 K(o=0.87,f=-7.1!) USER MOD Single : A 59 THR OG1 : rot -8:sc= 1.11 USER MOD Single : A 66 THR OG1 : rot -35:sc= 0.54 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.446 K(o=0.45,f=-2.9!) USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 1.39 (180deg=1.13) USER MOD Single : A 91 SER OG : rot 1:sc= 1.16 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 1.1 K(o=1.1,f=-0.13) USER MOD Single : A 104 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.8!) USER MOD Single : A 108 LYS NZ :NH3+ -174:sc= 2.48 (180deg=2.37) USER MOD Single : A 109 SER OG : rot -54:sc= 0.369 USER MOD Single : A 112 SER OG : rot 100:sc= 0.971 USER MOD Single : A 115 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.864 9.673 13.410 1.00 0.00 N ATOM 2 CA ILE A 1 -0.600 9.517 13.320 1.00 0.00 C ATOM 3 C ILE A 1 -0.893 8.119 12.767 1.00 0.00 C ATOM 4 O ILE A 1 -0.157 7.657 11.900 1.00 0.00 O ATOM 5 CB ILE A 1 -1.243 10.638 12.469 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.819 12.074 12.880 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.776 10.553 12.595 1.00 0.00 C ATOM 8 CD1 ILE A 1 0.547 12.546 12.351 1.00 0.00 C ATOM 0 H1 ILE A 1 1.089 10.503 13.994 1.00 0.00 H new ATOM 0 H2 ILE A 1 1.278 8.823 13.843 1.00 0.00 H new ATOM 0 H3 ILE A 1 1.259 9.803 12.457 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.049 9.613 14.309 1.00 0.00 H new ATOM 0 HB ILE A 1 -0.894 10.473 11.450 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.582 12.771 12.534 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.805 12.131 13.968 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.234 11.341 11.997 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.117 9.581 12.238 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.063 10.677 13.639 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.741 13.561 12.699 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.329 11.881 12.718 1.00 0.00 H new ATOM 0 HD13 ILE A 1 0.540 12.531 11.261 1.00 0.00 H new ATOM 22 N SER A 2 -1.919 7.420 13.270 1.00 0.00 N ATOM 23 CA SER A 2 -2.258 6.065 12.812 1.00 0.00 C ATOM 24 C SER A 2 -3.765 5.862 12.656 1.00 0.00 C ATOM 25 O SER A 2 -4.565 6.574 13.260 1.00 0.00 O ATOM 26 CB SER A 2 -1.695 5.020 13.789 1.00 0.00 C ATOM 27 OG SER A 2 -1.196 3.907 13.071 1.00 0.00 O ATOM 0 H SER A 2 -2.535 7.775 14.002 1.00 0.00 H new ATOM 0 HA SER A 2 -1.805 5.938 11.829 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.900 5.462 14.389 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.475 4.698 14.480 1.00 0.00 H new ATOM 0 HG SER A 2 -0.246 3.784 13.278 1.00 0.00 H new ATOM 33 N GLU A 3 -4.134 4.842 11.882 1.00 0.00 N ATOM 34 CA GLU A 3 -5.490 4.336 11.676 1.00 0.00 C ATOM 35 C GLU A 3 -5.527 2.823 11.959 1.00 0.00 C ATOM 36 O GLU A 3 -4.555 2.116 11.700 1.00 0.00 O ATOM 37 CB GLU A 3 -5.949 4.689 10.246 1.00 0.00 C ATOM 38 CG GLU A 3 -5.208 3.970 9.102 1.00 0.00 C ATOM 39 CD GLU A 3 -3.741 4.404 8.951 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.491 5.384 8.215 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.859 3.803 9.611 1.00 0.00 O ATOM 0 H GLU A 3 -3.447 4.312 11.346 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.188 4.805 12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.012 4.465 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.838 5.764 10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.244 2.895 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.732 4.159 8.165 1.00 0.00 H new ATOM 48 N PHE A 4 -6.619 2.287 12.508 1.00 0.00 N ATOM 49 CA PHE A 4 -6.642 0.888 12.953 1.00 0.00 C ATOM 50 C PHE A 4 -6.694 -0.099 11.779 1.00 0.00 C ATOM 51 O PHE A 4 -5.851 -0.990 11.656 1.00 0.00 O ATOM 52 CB PHE A 4 -7.817 0.677 13.919 1.00 0.00 C ATOM 53 CG PHE A 4 -7.676 1.457 15.213 1.00 0.00 C ATOM 54 CD1 PHE A 4 -6.680 1.096 16.142 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.522 2.548 15.488 1.00 0.00 C ATOM 56 CE1 PHE A 4 -6.528 1.822 17.335 1.00 0.00 C ATOM 57 CE2 PHE A 4 -8.372 3.273 16.686 1.00 0.00 C ATOM 58 CZ PHE A 4 -7.375 2.910 17.608 1.00 0.00 C ATOM 0 H PHE A 4 -7.492 2.793 12.655 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.708 0.683 13.476 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.743 0.971 13.424 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.903 -0.385 14.150 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.031 0.258 15.936 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.287 2.829 14.779 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.761 1.544 18.042 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.023 4.108 16.896 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.260 3.467 18.526 1.00 0.00 H new ATOM 68 N GLN A 5 -7.685 0.077 10.902 1.00 0.00 N ATOM 69 CA GLN A 5 -8.046 -0.838 9.823 1.00 0.00 C ATOM 70 C GLN A 5 -6.904 -1.107 8.830 1.00 0.00 C ATOM 71 O GLN A 5 -6.815 -2.220 8.315 1.00 0.00 O ATOM 72 CB GLN A 5 -9.341 -0.365 9.126 1.00 0.00 C ATOM 73 CG GLN A 5 -9.336 1.044 8.494 1.00 0.00 C ATOM 74 CD GLN A 5 -9.632 2.173 9.489 1.00 0.00 C ATOM 75 OE1 GLN A 5 -8.846 2.487 10.370 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.774 2.824 9.401 1.00 0.00 N ATOM 0 H GLN A 5 -8.285 0.902 10.928 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.240 -1.808 10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.584 -1.084 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.149 -0.403 9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.363 1.223 8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.076 1.075 7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.446 2.579 8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.986 3.573 10.060 1.00 0.00 H new ATOM 85 N LEU A 6 -5.985 -0.152 8.615 1.00 0.00 N ATOM 86 CA LEU A 6 -4.849 -0.339 7.706 1.00 0.00 C ATOM 87 C LEU A 6 -3.915 -1.477 8.145 1.00 0.00 C ATOM 88 O LEU A 6 -3.319 -2.125 7.282 1.00 0.00 O ATOM 89 CB LEU A 6 -4.085 0.988 7.539 1.00 0.00 C ATOM 90 CG LEU A 6 -2.951 0.963 6.490 1.00 0.00 C ATOM 91 CD1 LEU A 6 -3.467 0.671 5.077 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.241 2.317 6.472 1.00 0.00 C ATOM 0 H LEU A 6 -6.010 0.764 9.064 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.249 -0.641 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.796 1.767 7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.661 1.269 8.503 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.269 0.163 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.630 0.665 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.959 -0.302 5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.179 1.442 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.441 2.299 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.955 3.099 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.820 2.520 7.457 1.00 0.00 H new ATOM 104 N LYS A 7 -3.813 -1.777 9.453 1.00 0.00 N ATOM 105 CA LYS A 7 -3.027 -2.926 9.930 1.00 0.00 C ATOM 106 C LYS A 7 -3.677 -4.282 9.616 1.00 0.00 C ATOM 107 O LYS A 7 -2.943 -5.264 9.573 1.00 0.00 O ATOM 108 CB LYS A 7 -2.714 -2.824 11.434 1.00 0.00 C ATOM 109 CG LYS A 7 -1.577 -1.845 11.788 1.00 0.00 C ATOM 110 CD LYS A 7 -2.012 -0.384 11.998 1.00 0.00 C ATOM 111 CE LYS A 7 -1.538 0.555 10.884 1.00 0.00 C ATOM 112 NZ LYS A 7 -1.941 1.943 11.195 1.00 0.00 N ATOM 0 H LYS A 7 -4.264 -1.241 10.195 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.091 -2.882 9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.618 -2.516 11.960 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.451 -3.815 11.805 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.087 -2.196 12.696 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.833 -1.875 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.099 -0.341 12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.623 -0.030 12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.454 0.495 10.782 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.966 0.247 9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.047 2.480 10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.847 1.935 11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.213 2.391 11.787 1.00 0.00 H new ATOM 126 N GLY A 8 -4.991 -4.323 9.335 1.00 0.00 N ATOM 127 CA GLY A 8 -5.852 -5.452 8.934 1.00 0.00 C ATOM 128 C GLY A 8 -5.254 -6.865 9.013 1.00 0.00 C ATOM 129 O GLY A 8 -4.444 -7.240 8.160 1.00 0.00 O ATOM 0 H GLY A 8 -5.540 -3.465 9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.746 -5.430 9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.174 -5.280 7.907 1.00 0.00 H new ATOM 133 N THR A 9 -5.670 -7.647 10.020 1.00 0.00 N ATOM 134 CA THR A 9 -5.246 -9.031 10.296 1.00 0.00 C ATOM 135 C THR A 9 -5.740 -10.046 9.252 1.00 0.00 C ATOM 136 O THR A 9 -6.623 -10.857 9.524 1.00 0.00 O ATOM 137 CB THR A 9 -5.671 -9.474 11.709 1.00 0.00 C ATOM 138 OG1 THR A 9 -7.059 -9.295 11.855 1.00 0.00 O ATOM 139 CG2 THR A 9 -4.945 -8.702 12.810 1.00 0.00 C ATOM 0 H THR A 9 -6.350 -7.313 10.703 1.00 0.00 H new ATOM 0 HA THR A 9 -4.158 -9.021 10.233 1.00 0.00 H new ATOM 0 HB THR A 9 -5.402 -10.525 11.815 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.523 -9.693 11.089 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.283 -9.054 13.785 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.871 -8.862 12.719 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.163 -7.638 12.713 1.00 0.00 H new ATOM 147 N THR A 10 -5.133 -10.021 8.062 1.00 0.00 N ATOM 148 CA THR A 10 -5.259 -11.020 6.989 1.00 0.00 C ATOM 149 C THR A 10 -4.563 -12.360 7.275 1.00 0.00 C ATOM 150 O THR A 10 -4.883 -13.353 6.627 1.00 0.00 O ATOM 151 CB THR A 10 -4.662 -10.457 5.688 1.00 0.00 C ATOM 152 OG1 THR A 10 -3.370 -9.933 5.934 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.526 -9.337 5.106 1.00 0.00 C ATOM 0 H THR A 10 -4.504 -9.261 7.804 1.00 0.00 H new ATOM 0 HA THR A 10 -6.328 -11.220 6.909 1.00 0.00 H new ATOM 0 HB THR A 10 -4.617 -11.279 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.719 -10.384 5.357 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.071 -8.966 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.522 -9.722 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.602 -8.524 5.828 1.00 0.00 H new ATOM 161 N TYR A 11 -3.619 -12.410 8.225 1.00 0.00 N ATOM 162 CA TYR A 11 -2.914 -13.621 8.659 1.00 0.00 C ATOM 163 C TYR A 11 -2.376 -13.448 10.091 1.00 0.00 C ATOM 164 O TYR A 11 -2.470 -12.361 10.664 1.00 0.00 O ATOM 165 CB TYR A 11 -1.774 -13.941 7.670 1.00 0.00 C ATOM 166 CG TYR A 11 -1.471 -15.421 7.539 1.00 0.00 C ATOM 167 CD1 TYR A 11 -2.227 -16.201 6.643 1.00 0.00 C ATOM 168 CD2 TYR A 11 -0.442 -16.018 8.294 1.00 0.00 C ATOM 169 CE1 TYR A 11 -1.944 -17.571 6.488 1.00 0.00 C ATOM 170 CE2 TYR A 11 -0.153 -17.386 8.142 1.00 0.00 C ATOM 171 CZ TYR A 11 -0.900 -18.165 7.230 1.00 0.00 C ATOM 172 OH TYR A 11 -0.621 -19.485 7.065 1.00 0.00 O ATOM 0 H TYR A 11 -3.315 -11.577 8.730 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.611 -14.459 8.667 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.036 -13.546 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.871 -13.422 7.992 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.025 -15.747 6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.127 -15.423 8.992 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.526 -18.168 5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.638 -17.840 8.721 1.00 0.00 H new ATOM 0 HH TYR A 11 0.125 -19.737 7.648 1.00 0.00 H new ATOM 182 N GLY A 12 -1.772 -14.499 10.658 1.00 0.00 N ATOM 183 CA GLY A 12 -1.003 -14.414 11.903 1.00 0.00 C ATOM 184 C GLY A 12 0.235 -13.514 11.769 1.00 0.00 C ATOM 185 O GLY A 12 0.839 -13.437 10.697 1.00 0.00 O ATOM 0 H GLY A 12 -1.804 -15.439 10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.644 -14.029 12.697 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.690 -15.414 12.202 1.00 0.00 H new ATOM 189 N VAL A 13 0.626 -12.848 12.863 1.00 0.00 N ATOM 190 CA VAL A 13 1.765 -11.918 12.914 1.00 0.00 C ATOM 191 C VAL A 13 3.113 -12.644 13.038 1.00 0.00 C ATOM 192 O VAL A 13 3.557 -13.035 14.125 1.00 0.00 O ATOM 193 CB VAL A 13 1.544 -10.787 13.945 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.231 -11.253 15.374 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.730 -9.813 13.971 1.00 0.00 C ATOM 0 H VAL A 13 0.149 -12.942 13.759 1.00 0.00 H new ATOM 0 HA VAL A 13 1.818 -11.413 11.950 1.00 0.00 H new ATOM 0 HB VAL A 13 0.646 -10.282 13.590 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.094 -10.384 16.018 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.319 -11.850 15.370 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.058 -11.856 15.749 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.542 -9.030 14.706 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.638 -10.353 14.239 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.853 -9.363 12.986 1.00 0.00 H new ATOM 205 N CYS A 14 3.768 -12.816 11.886 1.00 0.00 N ATOM 206 CA CYS A 14 5.164 -13.211 11.748 1.00 0.00 C ATOM 207 C CYS A 14 5.749 -12.726 10.413 1.00 0.00 C ATOM 208 O CYS A 14 5.029 -12.294 9.516 1.00 0.00 O ATOM 209 CB CYS A 14 5.305 -14.737 11.914 1.00 0.00 C ATOM 210 SG CYS A 14 5.008 -15.810 10.473 1.00 0.00 S ATOM 0 H CYS A 14 3.313 -12.676 10.984 1.00 0.00 H new ATOM 0 HA CYS A 14 5.741 -12.732 12.540 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.315 -14.938 12.272 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.620 -15.047 12.703 1.00 0.00 H new ATOM 215 N SER A 15 7.071 -12.825 10.275 1.00 0.00 N ATOM 216 CA SER A 15 7.786 -12.546 9.022 1.00 0.00 C ATOM 217 C SER A 15 8.982 -13.461 8.785 1.00 0.00 C ATOM 218 O SER A 15 9.294 -13.767 7.636 1.00 0.00 O ATOM 219 CB SER A 15 8.276 -11.106 9.020 1.00 0.00 C ATOM 220 OG SER A 15 9.216 -10.882 10.057 1.00 0.00 O ATOM 0 H SER A 15 7.687 -13.105 11.038 1.00 0.00 H new ATOM 0 HA SER A 15 7.071 -12.727 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.732 -10.876 8.057 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.429 -10.431 9.142 1.00 0.00 H new ATOM 0 HG SER A 15 9.515 -9.949 10.031 1.00 0.00 H new ATOM 226 N LYS A 16 9.623 -13.918 9.870 1.00 0.00 N ATOM 227 CA LYS A 16 10.751 -14.847 9.907 1.00 0.00 C ATOM 228 C LYS A 16 11.971 -14.323 9.134 1.00 0.00 C ATOM 229 O LYS A 16 12.873 -13.746 9.734 1.00 0.00 O ATOM 230 CB LYS A 16 10.253 -16.243 9.477 1.00 0.00 C ATOM 231 CG LYS A 16 11.273 -17.350 9.778 1.00 0.00 C ATOM 232 CD LYS A 16 10.831 -18.705 9.206 1.00 0.00 C ATOM 233 CE LYS A 16 11.062 -18.764 7.690 1.00 0.00 C ATOM 234 NZ LYS A 16 10.753 -20.099 7.138 1.00 0.00 N ATOM 0 H LYS A 16 9.345 -13.626 10.807 1.00 0.00 H new ATOM 0 HA LYS A 16 11.130 -14.938 10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.318 -16.466 9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.036 -16.234 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.241 -17.076 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.407 -17.437 10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.385 -19.507 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.775 -18.869 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.441 -18.015 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.099 -18.511 7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.211 -20.205 6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.107 -20.833 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.724 -20.200 7.030 1.00 0.00 H new ATOM 248 N ALA A 17 12.019 -14.531 7.819 1.00 0.00 N ATOM 249 CA ALA A 17 13.208 -14.327 7.002 1.00 0.00 C ATOM 250 C ALA A 17 13.201 -12.954 6.302 1.00 0.00 C ATOM 251 O ALA A 17 12.861 -12.836 5.124 1.00 0.00 O ATOM 252 CB ALA A 17 13.342 -15.523 6.054 1.00 0.00 C ATOM 0 H ALA A 17 11.213 -14.853 7.283 1.00 0.00 H new ATOM 0 HA ALA A 17 14.101 -14.291 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.226 -15.395 5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.438 -16.440 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.457 -15.586 5.421 1.00 0.00 H new ATOM 258 N PHE A 18 13.633 -11.917 7.028 1.00 0.00 N ATOM 259 CA PHE A 18 13.912 -10.570 6.510 1.00 0.00 C ATOM 260 C PHE A 18 15.282 -10.056 6.980 1.00 0.00 C ATOM 261 O PHE A 18 15.855 -10.561 7.946 1.00 0.00 O ATOM 262 CB PHE A 18 12.831 -9.585 6.986 1.00 0.00 C ATOM 263 CG PHE A 18 11.647 -9.353 6.072 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.707 -8.375 5.061 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.435 -10.002 6.335 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.538 -7.991 4.376 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.256 -9.595 5.683 1.00 0.00 C ATOM 268 CZ PHE A 18 9.304 -8.576 4.714 1.00 0.00 C ATOM 0 H PHE A 18 13.805 -11.994 8.030 1.00 0.00 H new ATOM 0 HA PHE A 18 13.913 -10.636 5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.452 -9.939 7.945 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.309 -8.623 7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.653 -7.918 4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.404 -10.819 7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.589 -7.249 3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.315 -10.065 5.926 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.397 -8.244 4.231 1.00 0.00 H new ATOM 278 N LYS A 19 15.762 -8.989 6.328 1.00 0.00 N ATOM 279 CA LYS A 19 16.887 -8.137 6.735 1.00 0.00 C ATOM 280 C LYS A 19 16.677 -6.704 6.191 1.00 0.00 C ATOM 281 O LYS A 19 16.018 -6.528 5.169 1.00 0.00 O ATOM 282 CB LYS A 19 18.177 -8.826 6.231 1.00 0.00 C ATOM 283 CG LYS A 19 19.349 -7.871 6.016 1.00 0.00 C ATOM 284 CD LYS A 19 20.652 -8.556 5.590 1.00 0.00 C ATOM 285 CE LYS A 19 21.713 -7.523 5.170 1.00 0.00 C ATOM 286 NZ LYS A 19 21.243 -6.662 4.057 1.00 0.00 N ATOM 0 H LYS A 19 15.350 -8.679 5.448 1.00 0.00 H new ATOM 0 HA LYS A 19 16.964 -8.025 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.472 -9.591 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.961 -9.336 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.072 -7.140 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.527 -7.320 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.034 -9.160 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.454 -9.236 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 19 21.970 -6.900 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.623 -8.041 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.059 -6.202 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.742 -7.244 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.598 -5.936 4.429 1.00 0.00 H new ATOM 300 N PHE A 20 17.266 -5.679 6.825 1.00 0.00 N ATOM 301 CA PHE A 20 17.353 -4.316 6.269 1.00 0.00 C ATOM 302 C PHE A 20 18.261 -4.264 5.023 1.00 0.00 C ATOM 303 O PHE A 20 19.337 -4.869 5.002 1.00 0.00 O ATOM 304 CB PHE A 20 17.914 -3.340 7.320 1.00 0.00 C ATOM 305 CG PHE A 20 16.959 -2.900 8.415 1.00 0.00 C ATOM 306 CD1 PHE A 20 16.164 -1.749 8.237 1.00 0.00 C ATOM 307 CD2 PHE A 20 16.929 -3.578 9.648 1.00 0.00 C ATOM 308 CE1 PHE A 20 15.356 -1.274 9.288 1.00 0.00 C ATOM 309 CE2 PHE A 20 16.123 -3.100 10.695 1.00 0.00 C ATOM 310 CZ PHE A 20 15.341 -1.947 10.521 1.00 0.00 C ATOM 0 H PHE A 20 17.699 -5.771 7.744 1.00 0.00 H new ATOM 0 HA PHE A 20 16.342 -4.025 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.780 -3.806 7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.272 -2.450 6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.175 -1.229 7.290 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.526 -4.467 9.790 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.748 -0.393 9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.105 -3.623 11.640 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.730 -1.579 11.332 1.00 0.00 H new ATOM 320 N LEU A 21 17.867 -3.489 4.006 1.00 0.00 N ATOM 321 CA LEU A 21 18.655 -3.268 2.784 1.00 0.00 C ATOM 322 C LEU A 21 19.027 -1.790 2.600 1.00 0.00 C ATOM 323 O LEU A 21 20.150 -1.486 2.211 1.00 0.00 O ATOM 324 CB LEU A 21 17.874 -3.828 1.575 1.00 0.00 C ATOM 325 CG LEU A 21 18.716 -4.455 0.445 1.00 0.00 C ATOM 326 CD1 LEU A 21 19.685 -3.513 -0.274 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.531 -5.638 0.966 1.00 0.00 C ATOM 0 H LEU A 21 16.978 -2.989 4.007 1.00 0.00 H new ATOM 0 HA LEU A 21 19.602 -3.801 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.176 -4.582 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.278 -3.020 1.149 1.00 0.00 H new ATOM 0 HG LEU A 21 17.965 -4.755 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.222 -4.063 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.126 -2.696 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.398 -3.107 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.116 -6.064 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.201 -5.298 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.857 -6.397 1.364 1.00 0.00 H new ATOM 339 N GLY A 22 18.105 -0.881 2.931 1.00 0.00 N ATOM 340 CA GLY A 22 18.238 0.559 2.742 1.00 0.00 C ATOM 341 C GLY A 22 17.594 1.306 3.904 1.00 0.00 C ATOM 342 O GLY A 22 16.369 1.376 4.000 1.00 0.00 O ATOM 0 H GLY A 22 17.214 -1.142 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.292 0.827 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.767 0.855 1.805 1.00 0.00 H new ATOM 346 N THR A 23 18.431 1.827 4.802 1.00 0.00 N ATOM 347 CA THR A 23 18.076 2.541 6.034 1.00 0.00 C ATOM 348 C THR A 23 17.003 3.622 5.793 1.00 0.00 C ATOM 349 O THR A 23 17.121 4.351 4.808 1.00 0.00 O ATOM 350 CB THR A 23 19.355 3.195 6.594 1.00 0.00 C ATOM 351 OG1 THR A 23 20.460 2.328 6.435 1.00 0.00 O ATOM 352 CG2 THR A 23 19.273 3.516 8.084 1.00 0.00 C ATOM 0 H THR A 23 19.442 1.758 4.682 1.00 0.00 H new ATOM 0 HA THR A 23 17.656 1.826 6.742 1.00 0.00 H new ATOM 0 HB THR A 23 19.469 4.123 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 23 21.266 2.756 6.793 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.207 3.974 8.410 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.449 4.207 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.104 2.597 8.645 1.00 0.00 H new ATOM 360 N PRO A 24 15.991 3.779 6.676 1.00 0.00 N ATOM 361 CA PRO A 24 14.928 4.768 6.502 1.00 0.00 C ATOM 362 C PRO A 24 15.466 6.190 6.316 1.00 0.00 C ATOM 363 O PRO A 24 16.268 6.659 7.126 1.00 0.00 O ATOM 364 CB PRO A 24 14.010 4.667 7.728 1.00 0.00 C ATOM 365 CG PRO A 24 14.783 3.809 8.727 1.00 0.00 C ATOM 366 CD PRO A 24 15.729 2.980 7.861 1.00 0.00 C ATOM 0 HA PRO A 24 14.376 4.554 5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.791 5.652 8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.055 4.209 7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.333 4.425 9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.114 3.173 9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.653 2.759 8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.278 2.024 7.595 1.00 0.00 H new ATOM 374 N ALA A 25 14.971 6.884 5.287 1.00 0.00 N ATOM 375 CA ALA A 25 15.287 8.279 4.982 1.00 0.00 C ATOM 376 C ALA A 25 13.995 9.100 4.861 1.00 0.00 C ATOM 377 O ALA A 25 13.140 8.758 4.039 1.00 0.00 O ATOM 378 CB ALA A 25 16.128 8.328 3.702 1.00 0.00 C ATOM 0 H ALA A 25 14.316 6.474 4.621 1.00 0.00 H new ATOM 0 HA ALA A 25 15.869 8.722 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.370 9.364 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.050 7.765 3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.564 7.890 2.879 1.00 0.00 H new ATOM 384 N ASP A 26 13.817 10.136 5.700 1.00 0.00 N ATOM 385 CA ASP A 26 12.615 10.976 5.652 1.00 0.00 C ATOM 386 C ASP A 26 12.537 11.752 4.328 1.00 0.00 C ATOM 387 O ASP A 26 13.499 12.381 3.886 1.00 0.00 O ATOM 388 CB ASP A 26 12.466 11.882 6.887 1.00 0.00 C ATOM 389 CG ASP A 26 11.071 12.531 6.988 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.747 13.371 6.118 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.337 12.210 7.957 1.00 0.00 O ATOM 0 H ASP A 26 14.490 10.408 6.416 1.00 0.00 H new ATOM 0 HA ASP A 26 11.754 10.308 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.655 11.296 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.224 12.665 6.851 1.00 0.00 H new ATOM 396 N THR A 27 11.375 11.662 3.686 1.00 0.00 N ATOM 397 CA THR A 27 11.059 12.185 2.358 1.00 0.00 C ATOM 398 C THR A 27 10.792 13.689 2.341 1.00 0.00 C ATOM 399 O THR A 27 10.581 14.242 1.261 1.00 0.00 O ATOM 400 CB THR A 27 9.796 11.485 1.826 1.00 0.00 C ATOM 401 OG1 THR A 27 8.698 11.806 2.661 1.00 0.00 O ATOM 402 CG2 THR A 27 9.963 9.967 1.745 1.00 0.00 C ATOM 0 H THR A 27 10.575 11.190 4.108 1.00 0.00 H new ATOM 0 HA THR A 27 11.935 11.992 1.738 1.00 0.00 H new ATOM 0 HB THR A 27 9.618 11.843 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.334 10.985 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.045 9.520 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.789 9.727 1.075 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.175 9.571 2.738 1.00 0.00 H new ATOM 410 N GLY A 28 10.690 14.351 3.502 1.00 0.00 N ATOM 411 CA GLY A 28 10.196 15.723 3.621 1.00 0.00 C ATOM 412 C GLY A 28 8.678 15.857 3.435 1.00 0.00 C ATOM 413 O GLY A 28 8.143 16.942 3.644 1.00 0.00 O ATOM 0 H GLY A 28 10.954 13.938 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.468 16.112 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.699 16.345 2.881 1.00 0.00 H new ATOM 417 N HIS A 29 7.972 14.773 3.082 1.00 0.00 N ATOM 418 CA HIS A 29 6.518 14.745 2.887 1.00 0.00 C ATOM 419 C HIS A 29 5.774 14.255 4.146 1.00 0.00 C ATOM 420 O HIS A 29 4.554 14.105 4.123 1.00 0.00 O ATOM 421 CB HIS A 29 6.177 13.867 1.669 1.00 0.00 C ATOM 422 CG HIS A 29 6.776 14.325 0.356 1.00 0.00 C ATOM 423 ND1 HIS A 29 8.108 14.297 -0.006 1.00 0.00 N ATOM 424 CD2 HIS A 29 6.075 14.799 -0.720 1.00 0.00 C ATOM 425 CE1 HIS A 29 8.198 14.736 -1.272 1.00 0.00 C ATOM 426 NE2 HIS A 29 6.986 15.058 -1.748 1.00 0.00 N ATOM 0 H HIS A 29 8.411 13.867 2.920 1.00 0.00 H new ATOM 0 HA HIS A 29 6.181 15.765 2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.514 12.850 1.869 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.093 13.828 1.561 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.885 13.997 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.006 14.947 -0.766 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.119 14.818 -1.830 1.00 0.00 H new ATOM 434 N GLY A 30 6.503 13.990 5.240 1.00 0.00 N ATOM 435 CA GLY A 30 5.977 13.400 6.473 1.00 0.00 C ATOM 436 C GLY A 30 6.234 11.894 6.601 1.00 0.00 C ATOM 437 O GLY A 30 5.775 11.294 7.569 1.00 0.00 O ATOM 0 H GLY A 30 7.503 14.187 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.424 13.909 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.903 13.581 6.521 1.00 0.00 H new ATOM 441 N THR A 31 6.966 11.288 5.659 1.00 0.00 N ATOM 442 CA THR A 31 7.215 9.843 5.578 1.00 0.00 C ATOM 443 C THR A 31 8.708 9.521 5.565 1.00 0.00 C ATOM 444 O THR A 31 9.519 10.394 5.288 1.00 0.00 O ATOM 445 CB THR A 31 6.560 9.242 4.321 1.00 0.00 C ATOM 446 OG1 THR A 31 7.099 9.801 3.140 1.00 0.00 O ATOM 447 CG2 THR A 31 5.046 9.450 4.309 1.00 0.00 C ATOM 0 H THR A 31 7.417 11.808 4.906 1.00 0.00 H new ATOM 0 HA THR A 31 6.772 9.400 6.470 1.00 0.00 H new ATOM 0 HB THR A 31 6.773 8.173 4.352 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.740 9.328 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.626 9.010 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.606 8.971 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.825 10.517 4.330 1.00 0.00 H new ATOM 455 N VAL A 32 9.071 8.257 5.799 1.00 0.00 N ATOM 456 CA VAL A 32 10.383 7.680 5.467 1.00 0.00 C ATOM 457 C VAL A 32 10.228 6.687 4.323 1.00 0.00 C ATOM 458 O VAL A 32 9.286 5.898 4.331 1.00 0.00 O ATOM 459 CB VAL A 32 11.063 6.963 6.658 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.747 7.943 7.612 1.00 0.00 C ATOM 461 CG2 VAL A 32 10.115 6.049 7.444 1.00 0.00 C ATOM 0 H VAL A 32 8.443 7.584 6.238 1.00 0.00 H new ATOM 0 HA VAL A 32 11.023 8.516 5.185 1.00 0.00 H new ATOM 0 HB VAL A 32 11.823 6.330 6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.209 7.391 8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.512 8.501 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.008 8.636 8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.659 5.579 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.291 6.639 7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.720 5.278 6.782 1.00 0.00 H new ATOM 471 N VAL A 33 11.191 6.678 3.395 1.00 0.00 N ATOM 472 CA VAL A 33 11.424 5.561 2.470 1.00 0.00 C ATOM 473 C VAL A 33 12.434 4.598 3.096 1.00 0.00 C ATOM 474 O VAL A 33 13.510 5.022 3.518 1.00 0.00 O ATOM 475 CB VAL A 33 11.895 6.031 1.076 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.688 6.480 0.244 1.00 0.00 C ATOM 477 CG2 VAL A 33 12.946 7.150 1.076 1.00 0.00 C ATOM 0 H VAL A 33 11.839 7.455 3.263 1.00 0.00 H new ATOM 0 HA VAL A 33 10.475 5.049 2.309 1.00 0.00 H new ATOM 0 HB VAL A 33 12.388 5.162 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.026 6.811 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.996 5.646 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.183 7.303 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.207 7.404 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.541 8.030 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.838 6.812 1.603 1.00 0.00 H new ATOM 487 N LEU A 34 12.059 3.317 3.199 1.00 0.00 N ATOM 488 CA LEU A 34 12.730 2.272 3.975 1.00 0.00 C ATOM 489 C LEU A 34 12.804 0.984 3.133 1.00 0.00 C ATOM 490 O LEU A 34 11.767 0.454 2.738 1.00 0.00 O ATOM 491 CB LEU A 34 11.883 2.062 5.248 1.00 0.00 C ATOM 492 CG LEU A 34 12.519 1.309 6.434 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.398 0.718 7.287 1.00 0.00 C ATOM 494 CD2 LEU A 34 13.504 0.194 6.084 1.00 0.00 C ATOM 0 H LEU A 34 11.233 2.964 2.715 1.00 0.00 H new ATOM 0 HA LEU A 34 13.750 2.547 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.572 3.043 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.978 1.526 4.961 1.00 0.00 H new ATOM 0 HG LEU A 34 13.116 2.056 6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.828 0.181 8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.759 1.521 7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.806 0.030 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.882 -0.259 7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.998 -0.564 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.336 0.609 5.514 1.00 0.00 H new ATOM 506 N GLU A 35 13.999 0.454 2.860 1.00 0.00 N ATOM 507 CA GLU A 35 14.165 -0.778 2.080 1.00 0.00 C ATOM 508 C GLU A 35 14.573 -1.976 2.948 1.00 0.00 C ATOM 509 O GLU A 35 15.530 -1.906 3.727 1.00 0.00 O ATOM 510 CB GLU A 35 15.172 -0.563 0.942 1.00 0.00 C ATOM 511 CG GLU A 35 14.783 -1.387 -0.287 1.00 0.00 C ATOM 512 CD GLU A 35 15.844 -1.294 -1.375 1.00 0.00 C ATOM 513 OE1 GLU A 35 16.966 -1.797 -1.145 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.559 -0.788 -2.485 1.00 0.00 O ATOM 0 H GLU A 35 14.879 0.865 3.172 1.00 0.00 H new ATOM 0 HA GLU A 35 13.192 -1.017 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.212 0.494 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.171 -0.846 1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.645 -2.429 0.000 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.828 -1.034 -0.676 1.00 0.00 H new ATOM 521 N LEU A 36 13.888 -3.106 2.751 1.00 0.00 N ATOM 522 CA LEU A 36 14.253 -4.405 3.319 1.00 0.00 C ATOM 523 C LEU A 36 14.460 -5.440 2.203 1.00 0.00 C ATOM 524 O LEU A 36 13.992 -5.266 1.077 1.00 0.00 O ATOM 525 CB LEU A 36 13.190 -4.875 4.337 1.00 0.00 C ATOM 526 CG LEU A 36 13.122 -4.032 5.631 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.946 -3.052 5.606 1.00 0.00 C ATOM 528 CD2 LEU A 36 12.954 -4.925 6.867 1.00 0.00 C ATOM 0 H LEU A 36 13.045 -3.143 2.179 1.00 0.00 H new ATOM 0 HA LEU A 36 15.196 -4.298 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.212 -4.858 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.395 -5.912 4.604 1.00 0.00 H new ATOM 0 HG LEU A 36 14.062 -3.483 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.931 -2.477 6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.056 -2.374 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.013 -3.606 5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.909 -4.304 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.032 -5.500 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.801 -5.607 6.941 1.00 0.00 H new ATOM 540 N GLN A 37 15.131 -6.545 2.540 1.00 0.00 N ATOM 541 CA GLN A 37 15.193 -7.748 1.718 1.00 0.00 C ATOM 542 C GLN A 37 14.564 -8.924 2.465 1.00 0.00 C ATOM 543 O GLN A 37 14.836 -9.139 3.650 1.00 0.00 O ATOM 544 CB GLN A 37 16.623 -8.036 1.218 1.00 0.00 C ATOM 545 CG GLN A 37 17.569 -8.652 2.267 1.00 0.00 C ATOM 546 CD GLN A 37 18.998 -8.850 1.762 1.00 0.00 C ATOM 547 OE1 GLN A 37 19.960 -8.399 2.373 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.200 -9.524 0.646 1.00 0.00 N ATOM 0 H GLN A 37 15.656 -6.626 3.411 1.00 0.00 H new ATOM 0 HA GLN A 37 14.606 -7.585 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.564 -8.710 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.061 -7.104 0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.590 -8.009 3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.168 -9.615 2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.407 -9.904 0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.149 -9.665 0.300 1.00 0.00 H new ATOM 557 N TYR A 38 13.723 -9.684 1.768 1.00 0.00 N ATOM 558 CA TYR A 38 13.153 -10.931 2.264 1.00 0.00 C ATOM 559 C TYR A 38 14.131 -12.087 2.002 1.00 0.00 C ATOM 560 O TYR A 38 14.354 -12.471 0.855 1.00 0.00 O ATOM 561 CB TYR A 38 11.800 -11.152 1.592 1.00 0.00 C ATOM 562 CG TYR A 38 10.963 -12.198 2.291 1.00 0.00 C ATOM 563 CD1 TYR A 38 11.105 -13.564 1.992 1.00 0.00 C ATOM 564 CD2 TYR A 38 10.075 -11.791 3.297 1.00 0.00 C ATOM 565 CE1 TYR A 38 10.361 -14.524 2.706 1.00 0.00 C ATOM 566 CE2 TYR A 38 9.350 -12.741 4.035 1.00 0.00 C ATOM 567 CZ TYR A 38 9.492 -14.110 3.742 1.00 0.00 C ATOM 568 OH TYR A 38 8.787 -15.012 4.468 1.00 0.00 O ATOM 0 H TYR A 38 13.414 -9.445 0.826 1.00 0.00 H new ATOM 0 HA TYR A 38 12.993 -10.884 3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.252 -10.210 1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.959 -11.453 0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.785 -13.878 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.948 -10.739 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.454 -15.572 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.686 -12.422 4.825 1.00 0.00 H new ATOM 0 HH TYR A 38 9.186 -15.901 4.362 1.00 0.00 H new ATOM 578 N THR A 39 14.769 -12.607 3.054 1.00 0.00 N ATOM 579 CA THR A 39 15.895 -13.552 2.969 1.00 0.00 C ATOM 580 C THR A 39 15.490 -15.021 2.775 1.00 0.00 C ATOM 581 O THR A 39 16.375 -15.858 2.609 1.00 0.00 O ATOM 582 CB THR A 39 16.810 -13.423 4.206 1.00 0.00 C ATOM 583 OG1 THR A 39 16.068 -13.458 5.403 1.00 0.00 O ATOM 584 CG2 THR A 39 17.586 -12.107 4.215 1.00 0.00 C ATOM 0 H THR A 39 14.513 -12.379 4.015 1.00 0.00 H new ATOM 0 HA THR A 39 16.433 -13.267 2.065 1.00 0.00 H new ATOM 0 HB THR A 39 17.496 -14.268 4.145 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.676 -13.376 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.216 -12.062 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.211 -12.047 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.886 -11.272 4.224 1.00 0.00 H new ATOM 592 N GLY A 40 14.191 -15.354 2.779 1.00 0.00 N ATOM 593 CA GLY A 40 13.692 -16.734 2.676 1.00 0.00 C ATOM 594 C GLY A 40 12.874 -17.027 1.414 1.00 0.00 C ATOM 595 O GLY A 40 12.506 -16.122 0.668 1.00 0.00 O ATOM 0 H GLY A 40 13.446 -14.662 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.541 -17.416 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.077 -16.949 3.549 1.00 0.00 H new ATOM 599 N THR A 41 12.538 -18.309 1.213 1.00 0.00 N ATOM 600 CA THR A 41 11.708 -18.831 0.107 1.00 0.00 C ATOM 601 C THR A 41 10.318 -19.307 0.549 1.00 0.00 C ATOM 602 O THR A 41 9.580 -19.869 -0.256 1.00 0.00 O ATOM 603 CB THR A 41 12.440 -19.950 -0.654 1.00 0.00 C ATOM 604 OG1 THR A 41 12.924 -20.922 0.249 1.00 0.00 O ATOM 605 CG2 THR A 41 13.609 -19.405 -1.472 1.00 0.00 C ATOM 0 H THR A 41 12.849 -19.048 1.843 1.00 0.00 H new ATOM 0 HA THR A 41 11.546 -17.986 -0.562 1.00 0.00 H new ATOM 0 HB THR A 41 11.719 -20.401 -1.336 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.386 -21.629 -0.248 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.101 -20.225 -1.995 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.239 -18.682 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.323 -18.919 -0.807 1.00 0.00 H new ATOM 613 N ASP A 42 9.953 -19.096 1.817 1.00 0.00 N ATOM 614 CA ASP A 42 8.647 -19.414 2.395 1.00 0.00 C ATOM 615 C ASP A 42 8.168 -18.293 3.335 1.00 0.00 C ATOM 616 O ASP A 42 8.908 -17.345 3.602 1.00 0.00 O ATOM 617 CB ASP A 42 8.731 -20.761 3.133 1.00 0.00 C ATOM 618 CG ASP A 42 9.437 -20.631 4.485 1.00 0.00 C ATOM 619 OD1 ASP A 42 10.680 -20.478 4.516 1.00 0.00 O ATOM 620 OD2 ASP A 42 8.739 -20.622 5.526 1.00 0.00 O ATOM 0 H ASP A 42 10.589 -18.680 2.497 1.00 0.00 H new ATOM 0 HA ASP A 42 7.913 -19.495 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.726 -21.154 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.265 -21.481 2.513 1.00 0.00 H new ATOM 625 N GLY A 43 6.948 -18.428 3.866 1.00 0.00 N ATOM 626 CA GLY A 43 6.413 -17.621 4.966 1.00 0.00 C ATOM 627 C GLY A 43 5.329 -16.587 4.616 1.00 0.00 C ATOM 628 O GLY A 43 5.471 -15.449 5.060 1.00 0.00 O ATOM 0 H GLY A 43 6.284 -19.126 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.004 -18.299 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.244 -17.094 5.434 1.00 0.00 H new ATOM 632 N PRO A 44 4.227 -16.932 3.908 1.00 0.00 N ATOM 633 CA PRO A 44 3.027 -16.088 3.876 1.00 0.00 C ATOM 634 C PRO A 44 2.538 -15.784 5.306 1.00 0.00 C ATOM 635 O PRO A 44 2.146 -16.703 6.025 1.00 0.00 O ATOM 636 CB PRO A 44 1.967 -16.843 3.060 1.00 0.00 C ATOM 637 CG PRO A 44 2.740 -17.954 2.354 1.00 0.00 C ATOM 638 CD PRO A 44 3.951 -18.201 3.250 1.00 0.00 C ATOM 0 HA PRO A 44 3.237 -15.124 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.188 -17.250 3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.476 -16.185 2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.134 -18.854 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.042 -17.653 1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.743 -18.983 3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.809 -18.532 2.665 1.00 0.00 H new ATOM 646 N CYS A 45 2.649 -14.529 5.760 1.00 0.00 N ATOM 647 CA CYS A 45 2.465 -14.140 7.166 1.00 0.00 C ATOM 648 C CYS A 45 2.358 -12.606 7.327 1.00 0.00 C ATOM 649 O CYS A 45 2.684 -11.872 6.396 1.00 0.00 O ATOM 650 CB CYS A 45 3.636 -14.723 7.980 1.00 0.00 C ATOM 651 SG CYS A 45 3.223 -15.236 9.669 1.00 0.00 S ATOM 0 H CYS A 45 2.873 -13.742 5.151 1.00 0.00 H new ATOM 0 HA CYS A 45 1.524 -14.543 7.540 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.037 -15.583 7.444 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.431 -13.978 8.028 1.00 0.00 H new ATOM 656 N LYS A 46 1.912 -12.071 8.475 1.00 0.00 N ATOM 657 CA LYS A 46 1.825 -10.610 8.679 1.00 0.00 C ATOM 658 C LYS A 46 3.103 -10.006 9.254 1.00 0.00 C ATOM 659 O LYS A 46 3.366 -10.133 10.450 1.00 0.00 O ATOM 660 CB LYS A 46 0.601 -10.208 9.503 1.00 0.00 C ATOM 661 CG LYS A 46 -0.635 -10.170 8.601 1.00 0.00 C ATOM 662 CD LYS A 46 -1.804 -9.474 9.292 1.00 0.00 C ATOM 663 CE LYS A 46 -1.621 -7.971 9.509 1.00 0.00 C ATOM 664 NZ LYS A 46 -1.520 -7.222 8.241 1.00 0.00 N ATOM 0 H LYS A 46 1.606 -12.624 9.276 1.00 0.00 H new ATOM 0 HA LYS A 46 1.702 -10.187 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.449 -10.918 10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.762 -9.231 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.395 -9.649 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.922 -11.186 8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.705 -9.634 8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.970 -9.948 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.461 -7.586 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.721 -7.800 10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.943 -6.279 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.519 -7.121 7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.026 -7.737 7.492 1.00 0.00 H new ATOM 678 N VAL A 47 3.870 -9.329 8.389 1.00 0.00 N ATOM 679 CA VAL A 47 5.165 -8.724 8.721 1.00 0.00 C ATOM 680 C VAL A 47 5.058 -7.707 9.868 1.00 0.00 C ATOM 681 O VAL A 47 4.386 -6.690 9.719 1.00 0.00 O ATOM 682 CB VAL A 47 5.926 -8.170 7.488 1.00 0.00 C ATOM 683 CG1 VAL A 47 5.048 -7.444 6.465 1.00 0.00 C ATOM 684 CG2 VAL A 47 7.087 -7.237 7.867 1.00 0.00 C ATOM 0 H VAL A 47 3.600 -9.184 7.416 1.00 0.00 H new ATOM 0 HA VAL A 47 5.786 -9.540 9.091 1.00 0.00 H new ATOM 0 HB VAL A 47 6.312 -9.076 7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.666 -7.092 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.290 -8.129 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.561 -6.593 6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.580 -6.883 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.701 -6.385 8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.805 -7.780 8.481 1.00 0.00 H new ATOM 694 N PRO A 48 5.729 -7.939 11.010 1.00 0.00 N ATOM 695 CA PRO A 48 5.712 -7.035 12.144 1.00 0.00 C ATOM 696 C PRO A 48 6.673 -5.866 11.892 1.00 0.00 C ATOM 697 O PRO A 48 7.818 -5.866 12.345 1.00 0.00 O ATOM 698 CB PRO A 48 6.120 -7.909 13.324 1.00 0.00 C ATOM 699 CG PRO A 48 7.144 -8.858 12.707 1.00 0.00 C ATOM 700 CD PRO A 48 6.635 -9.042 11.284 1.00 0.00 C ATOM 0 HA PRO A 48 4.743 -6.570 12.328 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.551 -7.320 14.133 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.269 -8.448 13.741 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.148 -8.433 12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.190 -9.805 13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.463 -9.045 10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.122 -9.998 11.179 1.00 0.00 H new ATOM 708 N ILE A 49 6.197 -4.863 11.155 1.00 0.00 N ATOM 709 CA ILE A 49 6.876 -3.580 10.992 1.00 0.00 C ATOM 710 C ILE A 49 5.993 -2.461 11.551 1.00 0.00 C ATOM 711 O ILE A 49 4.767 -2.525 11.443 1.00 0.00 O ATOM 712 CB ILE A 49 7.335 -3.375 9.533 1.00 0.00 C ATOM 713 CG1 ILE A 49 8.295 -2.172 9.470 1.00 0.00 C ATOM 714 CG2 ILE A 49 6.160 -3.218 8.551 1.00 0.00 C ATOM 715 CD1 ILE A 49 9.090 -2.084 8.166 1.00 0.00 C ATOM 0 H ILE A 49 5.315 -4.921 10.647 1.00 0.00 H new ATOM 0 HA ILE A 49 7.798 -3.562 11.573 1.00 0.00 H new ATOM 0 HB ILE A 49 7.860 -4.275 9.213 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.721 -1.254 9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.992 -2.231 10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.546 -3.077 7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.539 -4.113 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.562 -2.352 8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.743 -1.212 8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.692 -2.985 8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.402 -1.993 7.326 1.00 0.00 H new ATOM 727 N SER A 50 6.617 -1.466 12.189 1.00 0.00 N ATOM 728 CA SER A 50 5.925 -0.463 13.000 1.00 0.00 C ATOM 729 C SER A 50 6.658 0.888 13.041 1.00 0.00 C ATOM 730 O SER A 50 7.862 0.969 12.789 1.00 0.00 O ATOM 731 CB SER A 50 5.781 -1.062 14.398 1.00 0.00 C ATOM 732 OG SER A 50 5.274 -0.134 15.325 1.00 0.00 O ATOM 0 H SER A 50 7.628 -1.334 12.156 1.00 0.00 H new ATOM 0 HA SER A 50 4.954 -0.237 12.560 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.119 -1.927 14.354 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.752 -1.420 14.739 1.00 0.00 H new ATOM 0 HG SER A 50 5.502 -0.421 16.234 1.00 0.00 H new ATOM 738 N SER A 51 5.906 1.942 13.389 1.00 0.00 N ATOM 739 CA SER A 51 6.332 3.331 13.578 1.00 0.00 C ATOM 740 C SER A 51 5.753 3.854 14.896 1.00 0.00 C ATOM 741 O SER A 51 4.531 3.976 15.040 1.00 0.00 O ATOM 742 CB SER A 51 5.864 4.208 12.407 1.00 0.00 C ATOM 743 OG SER A 51 6.182 5.563 12.647 1.00 0.00 O ATOM 0 H SER A 51 4.906 1.834 13.558 1.00 0.00 H new ATOM 0 HA SER A 51 7.421 3.371 13.612 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.338 3.875 11.483 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.788 4.099 12.271 1.00 0.00 H new ATOM 0 HG SER A 51 5.991 6.091 11.844 1.00 0.00 H new ATOM 749 N VAL A 52 6.626 4.136 15.868 1.00 0.00 N ATOM 750 CA VAL A 52 6.258 4.673 17.188 1.00 0.00 C ATOM 751 C VAL A 52 7.160 5.842 17.595 1.00 0.00 C ATOM 752 O VAL A 52 8.157 6.107 16.933 1.00 0.00 O ATOM 753 CB VAL A 52 6.217 3.564 18.257 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.158 2.518 17.917 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.567 2.870 18.470 1.00 0.00 C ATOM 0 H VAL A 52 7.630 3.995 15.760 1.00 0.00 H new ATOM 0 HA VAL A 52 5.247 5.073 17.110 1.00 0.00 H new ATOM 0 HB VAL A 52 5.960 4.066 19.190 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.149 1.746 18.687 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.179 2.994 17.869 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.390 2.066 16.953 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.464 2.101 19.236 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.891 2.411 17.536 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.307 3.604 18.790 1.00 0.00 H new ATOM 765 N ALA A 53 6.825 6.560 18.675 1.00 0.00 N ATOM 766 CA ALA A 53 7.510 7.803 19.057 1.00 0.00 C ATOM 767 C ALA A 53 8.554 7.638 20.178 1.00 0.00 C ATOM 768 O ALA A 53 9.316 8.563 20.458 1.00 0.00 O ATOM 769 CB ALA A 53 6.452 8.847 19.427 1.00 0.00 C ATOM 0 H ALA A 53 6.071 6.296 19.309 1.00 0.00 H new ATOM 0 HA ALA A 53 8.092 8.132 18.196 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.943 9.777 19.713 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.804 9.028 18.569 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.855 8.480 20.262 1.00 0.00 H new ATOM 775 N SER A 54 8.606 6.494 20.868 1.00 0.00 N ATOM 776 CA SER A 54 9.523 6.266 22.000 1.00 0.00 C ATOM 777 C SER A 54 9.888 4.784 22.165 1.00 0.00 C ATOM 778 O SER A 54 10.041 4.301 23.283 1.00 0.00 O ATOM 779 CB SER A 54 8.904 6.851 23.279 1.00 0.00 C ATOM 780 OG SER A 54 8.723 8.247 23.121 1.00 0.00 O ATOM 0 H SER A 54 8.011 5.692 20.659 1.00 0.00 H new ATOM 0 HA SER A 54 10.462 6.779 21.795 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.948 6.371 23.485 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.551 6.652 24.133 1.00 0.00 H new ATOM 0 HG SER A 54 8.327 8.620 23.936 1.00 0.00 H new ATOM 786 N LEU A 55 9.971 4.047 21.045 1.00 0.00 N ATOM 787 CA LEU A 55 10.165 2.585 20.969 1.00 0.00 C ATOM 788 C LEU A 55 9.040 1.776 21.666 1.00 0.00 C ATOM 789 O LEU A 55 9.121 0.559 21.811 1.00 0.00 O ATOM 790 CB LEU A 55 11.600 2.228 21.430 1.00 0.00 C ATOM 791 CG LEU A 55 12.388 1.340 20.445 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.864 1.294 20.848 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.865 -0.095 20.360 1.00 0.00 C ATOM 0 H LEU A 55 9.901 4.473 20.121 1.00 0.00 H new ATOM 0 HA LEU A 55 10.074 2.275 19.928 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.156 3.151 21.591 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.542 1.719 22.392 1.00 0.00 H new ATOM 0 HG LEU A 55 12.259 1.795 19.463 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.413 0.665 20.147 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.277 2.302 20.831 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.954 0.882 21.853 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.467 -0.660 19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.928 -0.564 21.342 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.827 -0.085 20.029 1.00 0.00 H new ATOM 805 N ASN A 56 7.954 2.452 22.054 1.00 0.00 N ATOM 806 CA ASN A 56 6.742 1.961 22.703 1.00 0.00 C ATOM 807 C ASN A 56 5.848 1.144 21.748 1.00 0.00 C ATOM 808 O ASN A 56 4.668 1.444 21.565 1.00 0.00 O ATOM 809 CB ASN A 56 6.027 3.179 23.328 1.00 0.00 C ATOM 810 CG ASN A 56 5.640 4.274 22.332 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.460 4.797 21.582 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.389 4.688 22.329 1.00 0.00 N ATOM 0 H ASN A 56 7.901 3.460 21.904 1.00 0.00 H new ATOM 0 HA ASN A 56 6.996 1.250 23.490 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.126 2.833 23.835 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.675 3.612 24.090 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.103 5.442 21.704 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.707 4.255 22.951 1.00 0.00 H new ATOM 819 N ASP A 57 6.418 0.098 21.138 1.00 0.00 N ATOM 820 CA ASP A 57 5.853 -0.619 19.986 1.00 0.00 C ATOM 821 C ASP A 57 4.509 -1.329 20.237 1.00 0.00 C ATOM 822 O ASP A 57 3.808 -1.692 19.297 1.00 0.00 O ATOM 823 CB ASP A 57 6.910 -1.579 19.417 1.00 0.00 C ATOM 824 CG ASP A 57 6.742 -1.752 17.908 1.00 0.00 C ATOM 825 OD1 ASP A 57 6.537 -0.714 17.234 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.857 -2.897 17.425 1.00 0.00 O ATOM 0 H ASP A 57 7.313 -0.286 21.441 1.00 0.00 H new ATOM 0 HA ASP A 57 5.598 0.144 19.250 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.907 -1.196 19.633 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.827 -2.548 19.909 1.00 0.00 H new ATOM 831 N LEU A 58 4.106 -1.441 21.506 1.00 0.00 N ATOM 832 CA LEU A 58 2.780 -1.857 21.964 1.00 0.00 C ATOM 833 C LEU A 58 1.622 -0.925 21.539 1.00 0.00 C ATOM 834 O LEU A 58 0.466 -1.193 21.871 1.00 0.00 O ATOM 835 CB LEU A 58 2.830 -2.106 23.486 1.00 0.00 C ATOM 836 CG LEU A 58 3.345 -0.955 24.381 1.00 0.00 C ATOM 837 CD1 LEU A 58 2.404 0.252 24.439 1.00 0.00 C ATOM 838 CD2 LEU A 58 3.533 -1.481 25.808 1.00 0.00 C ATOM 0 H LEU A 58 4.732 -1.232 22.283 1.00 0.00 H new ATOM 0 HA LEU A 58 2.537 -2.788 21.453 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.825 -2.366 23.818 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.460 -2.978 23.664 1.00 0.00 H new ATOM 0 HG LEU A 58 4.281 -0.615 23.938 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.833 1.017 25.086 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.270 0.658 23.436 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.438 -0.059 24.836 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.896 -0.676 26.447 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.579 -1.846 26.190 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.257 -2.296 25.803 1.00 0.00 H new ATOM 850 N THR A 59 1.873 0.181 20.829 1.00 0.00 N ATOM 851 CA THR A 59 0.827 0.984 20.173 1.00 0.00 C ATOM 852 C THR A 59 1.403 1.743 18.966 1.00 0.00 C ATOM 853 O THR A 59 2.288 2.572 19.172 1.00 0.00 O ATOM 854 CB THR A 59 0.196 1.974 21.169 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.440 1.253 22.202 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.883 2.854 20.531 1.00 0.00 C ATOM 0 H THR A 59 2.814 0.549 20.691 1.00 0.00 H new ATOM 0 HA THR A 59 0.051 0.304 19.820 1.00 0.00 H new ATOM 0 HB THR A 59 1.008 2.605 21.530 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.446 0.299 21.979 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.291 3.531 21.281 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.446 3.434 19.718 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.681 2.224 20.139 1.00 0.00 H new ATOM 864 N PRO A 60 0.917 1.518 17.726 1.00 0.00 N ATOM 865 CA PRO A 60 1.404 2.208 16.529 1.00 0.00 C ATOM 866 C PRO A 60 1.064 3.705 16.583 1.00 0.00 C ATOM 867 O PRO A 60 -0.104 4.087 16.524 1.00 0.00 O ATOM 868 CB PRO A 60 0.742 1.498 15.343 1.00 0.00 C ATOM 869 CG PRO A 60 -0.562 0.964 15.931 1.00 0.00 C ATOM 870 CD PRO A 60 -0.176 0.620 17.369 1.00 0.00 C ATOM 0 HA PRO A 60 2.490 2.164 16.443 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.558 2.184 14.516 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.368 0.693 14.957 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.356 1.709 15.894 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.920 0.089 15.389 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.024 0.753 18.041 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.135 -0.422 17.450 1.00 0.00 H new ATOM 878 N VAL A 61 2.088 4.559 16.712 1.00 0.00 N ATOM 879 CA VAL A 61 1.918 6.021 16.796 1.00 0.00 C ATOM 880 C VAL A 61 1.966 6.657 15.400 1.00 0.00 C ATOM 881 O VAL A 61 1.332 7.685 15.175 1.00 0.00 O ATOM 882 CB VAL A 61 2.948 6.673 17.748 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.522 8.096 18.141 1.00 0.00 C ATOM 884 CG2 VAL A 61 3.128 5.892 19.062 1.00 0.00 C ATOM 0 H VAL A 61 3.061 4.258 16.761 1.00 0.00 H new ATOM 0 HA VAL A 61 0.933 6.210 17.222 1.00 0.00 H new ATOM 0 HB VAL A 61 3.884 6.676 17.189 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.267 8.527 18.810 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.440 8.712 17.245 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.557 8.060 18.647 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.863 6.398 19.688 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.175 5.842 19.589 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.474 4.882 18.841 1.00 0.00 H new ATOM 894 N GLY A 62 2.663 6.023 14.450 1.00 0.00 N ATOM 895 CA GLY A 62 2.675 6.311 13.015 1.00 0.00 C ATOM 896 C GLY A 62 1.976 5.211 12.206 1.00 0.00 C ATOM 897 O GLY A 62 1.213 4.416 12.765 1.00 0.00 O ATOM 0 H GLY A 62 3.275 5.241 14.682 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.182 7.266 12.832 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.705 6.414 12.674 1.00 0.00 H new ATOM 901 N ARG A 63 2.221 5.141 10.889 1.00 0.00 N ATOM 902 CA ARG A 63 1.648 4.096 10.016 1.00 0.00 C ATOM 903 C ARG A 63 2.646 3.511 9.014 1.00 0.00 C ATOM 904 O ARG A 63 3.728 4.057 8.803 1.00 0.00 O ATOM 905 CB ARG A 63 0.380 4.617 9.308 1.00 0.00 C ATOM 906 CG ARG A 63 0.648 5.636 8.182 1.00 0.00 C ATOM 907 CD ARG A 63 0.111 7.026 8.517 1.00 0.00 C ATOM 908 NE ARG A 63 -1.358 7.065 8.527 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.115 8.127 8.744 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.634 9.305 9.060 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.410 7.983 8.633 1.00 0.00 N ATOM 0 H ARG A 63 2.820 5.804 10.397 1.00 0.00 H new ATOM 0 HA ARG A 63 1.375 3.267 10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.162 3.768 8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.272 5.078 10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.721 5.698 7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.187 5.284 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.488 7.334 9.492 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.487 7.744 7.789 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.842 6.185 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.627 9.437 9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.267 10.089 9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.803 7.074 8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.027 8.779 8.793 1.00 0.00 H new ATOM 925 N LEU A 64 2.223 2.422 8.365 1.00 0.00 N ATOM 926 CA LEU A 64 2.879 1.777 7.232 1.00 0.00 C ATOM 927 C LEU A 64 2.169 2.298 5.975 1.00 0.00 C ATOM 928 O LEU A 64 1.064 1.866 5.662 1.00 0.00 O ATOM 929 CB LEU A 64 2.825 0.234 7.349 1.00 0.00 C ATOM 930 CG LEU A 64 3.169 -0.428 8.704 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.378 0.192 9.407 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.987 -0.472 9.681 1.00 0.00 C ATOM 0 H LEU A 64 1.364 1.942 8.635 1.00 0.00 H new ATOM 0 HA LEU A 64 3.941 2.018 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.818 -0.082 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.503 -0.177 6.601 1.00 0.00 H new ATOM 0 HG LEU A 64 3.426 -1.450 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.556 -0.326 10.350 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.257 0.098 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.183 1.246 9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.300 -0.949 10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.650 0.543 9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.170 -1.041 9.238 1.00 0.00 H new ATOM 944 N VAL A 65 2.742 3.322 5.339 1.00 0.00 N ATOM 945 CA VAL A 65 2.056 4.198 4.377 1.00 0.00 C ATOM 946 C VAL A 65 1.640 3.439 3.121 1.00 0.00 C ATOM 947 O VAL A 65 0.495 3.565 2.691 1.00 0.00 O ATOM 948 CB VAL A 65 2.963 5.396 4.018 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.445 6.265 2.864 1.00 0.00 C ATOM 950 CG2 VAL A 65 3.175 6.303 5.233 1.00 0.00 C ATOM 0 H VAL A 65 3.720 3.574 5.480 1.00 0.00 H new ATOM 0 HA VAL A 65 1.145 4.569 4.846 1.00 0.00 H new ATOM 0 HB VAL A 65 3.898 4.940 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.144 7.081 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.353 5.657 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.470 6.675 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.817 7.139 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.213 6.683 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.647 5.734 6.034 1.00 0.00 H new ATOM 960 N THR A 66 2.564 2.689 2.507 1.00 0.00 N ATOM 961 CA THR A 66 2.342 2.189 1.141 1.00 0.00 C ATOM 962 C THR A 66 1.623 0.841 1.034 1.00 0.00 C ATOM 963 O THR A 66 1.177 0.523 -0.069 1.00 0.00 O ATOM 964 CB THR A 66 3.647 2.144 0.333 1.00 0.00 C ATOM 965 OG1 THR A 66 3.324 1.917 -1.019 1.00 0.00 O ATOM 966 CG2 THR A 66 4.611 1.039 0.772 1.00 0.00 C ATOM 0 H THR A 66 3.455 2.418 2.922 1.00 0.00 H new ATOM 0 HA THR A 66 1.658 2.922 0.713 1.00 0.00 H new ATOM 0 HB THR A 66 4.149 3.098 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.544 1.327 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.508 1.072 0.154 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.884 1.188 1.817 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.128 0.068 0.658 1.00 0.00 H new ATOM 974 N VAL A 67 1.545 0.030 2.100 1.00 0.00 N ATOM 975 CA VAL A 67 0.906 -1.296 2.049 1.00 0.00 C ATOM 976 C VAL A 67 0.515 -1.790 3.449 1.00 0.00 C ATOM 977 O VAL A 67 1.189 -1.487 4.434 1.00 0.00 O ATOM 978 CB VAL A 67 1.822 -2.304 1.301 1.00 0.00 C ATOM 979 CG1 VAL A 67 3.044 -2.779 2.101 1.00 0.00 C ATOM 980 CG2 VAL A 67 1.036 -3.521 0.797 1.00 0.00 C ATOM 0 H VAL A 67 1.920 0.272 3.017 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.024 -1.211 1.486 1.00 0.00 H new ATOM 0 HB VAL A 67 2.207 -1.734 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.623 -3.479 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.666 -1.922 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.712 -3.274 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.712 -4.202 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.580 -4.035 1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.257 -3.192 0.110 1.00 0.00 H new ATOM 990 N ASN A 68 -0.552 -2.598 3.529 1.00 0.00 N ATOM 991 CA ASN A 68 -0.887 -3.386 4.718 1.00 0.00 C ATOM 992 C ASN A 68 0.301 -4.309 5.073 1.00 0.00 C ATOM 993 O ASN A 68 0.856 -4.946 4.175 1.00 0.00 O ATOM 994 CB ASN A 68 -2.171 -4.190 4.433 1.00 0.00 C ATOM 995 CG ASN A 68 -2.560 -5.167 5.540 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.172 -6.323 5.558 1.00 0.00 O ATOM 997 ND2 ASN A 68 -3.337 -4.751 6.513 1.00 0.00 N ATOM 0 H ASN A 68 -1.212 -2.722 2.761 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.070 -2.737 5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.994 -3.493 4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.039 -4.745 3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.603 -5.390 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.674 -3.788 6.520 1.00 0.00 H new ATOM 1004 N PRO A 69 0.708 -4.400 6.354 1.00 0.00 N ATOM 1005 CA PRO A 69 1.873 -5.180 6.769 1.00 0.00 C ATOM 1006 C PRO A 69 1.620 -6.694 6.637 1.00 0.00 C ATOM 1007 O PRO A 69 1.146 -7.351 7.567 1.00 0.00 O ATOM 1008 CB PRO A 69 2.173 -4.705 8.195 1.00 0.00 C ATOM 1009 CG PRO A 69 0.831 -4.214 8.728 1.00 0.00 C ATOM 1010 CD PRO A 69 0.161 -3.653 7.480 1.00 0.00 C ATOM 0 HA PRO A 69 2.743 -5.022 6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.570 -5.515 8.807 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.917 -3.908 8.199 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.250 -5.023 9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.955 -3.453 9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.922 -3.768 7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.363 -2.587 7.375 1.00 0.00 H new ATOM 1018 N PHE A 70 1.871 -7.240 5.442 1.00 0.00 N ATOM 1019 CA PHE A 70 1.472 -8.583 5.018 1.00 0.00 C ATOM 1020 C PHE A 70 2.416 -9.154 3.945 1.00 0.00 C ATOM 1021 O PHE A 70 2.461 -8.668 2.816 1.00 0.00 O ATOM 1022 CB PHE A 70 0.019 -8.485 4.535 1.00 0.00 C ATOM 1023 CG PHE A 70 -0.602 -9.711 3.895 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -0.547 -10.969 4.526 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -1.327 -9.563 2.697 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -1.215 -12.068 3.957 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -2.000 -10.660 2.134 1.00 0.00 C ATOM 1028 CZ PHE A 70 -1.947 -11.913 2.767 1.00 0.00 C ATOM 0 H PHE A 70 2.379 -6.736 4.715 1.00 0.00 H new ATOM 0 HA PHE A 70 1.542 -9.285 5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.598 -8.205 5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.040 -7.667 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.007 -11.089 5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.366 -8.601 2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.165 -13.035 4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.557 -10.540 1.216 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.468 -12.757 2.340 1.00 0.00 H new ATOM 1038 N VAL A 71 3.162 -10.205 4.304 1.00 0.00 N ATOM 1039 CA VAL A 71 3.869 -11.098 3.379 1.00 0.00 C ATOM 1040 C VAL A 71 2.807 -11.963 2.697 1.00 0.00 C ATOM 1041 O VAL A 71 2.376 -12.979 3.239 1.00 0.00 O ATOM 1042 CB VAL A 71 4.917 -11.987 4.097 1.00 0.00 C ATOM 1043 CG1 VAL A 71 5.820 -12.672 3.065 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.805 -11.212 5.077 1.00 0.00 C ATOM 0 H VAL A 71 3.295 -10.466 5.281 1.00 0.00 H new ATOM 0 HA VAL A 71 4.428 -10.505 2.655 1.00 0.00 H new ATOM 0 HB VAL A 71 4.348 -12.718 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.553 -13.294 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.213 -13.294 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.337 -11.915 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.515 -11.895 5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.349 -10.435 4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.184 -10.753 5.846 1.00 0.00 H new ATOM 1054 N SER A 72 2.328 -11.521 1.536 1.00 0.00 N ATOM 1055 CA SER A 72 1.199 -12.135 0.830 1.00 0.00 C ATOM 1056 C SER A 72 1.508 -13.478 0.153 1.00 0.00 C ATOM 1057 O SER A 72 0.574 -14.176 -0.239 1.00 0.00 O ATOM 1058 CB SER A 72 0.666 -11.137 -0.204 1.00 0.00 C ATOM 1059 OG SER A 72 1.715 -10.680 -1.038 1.00 0.00 O ATOM 0 H SER A 72 2.718 -10.714 1.049 1.00 0.00 H new ATOM 0 HA SER A 72 0.453 -12.369 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.108 -11.609 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.202 -10.291 0.304 1.00 0.00 H new ATOM 0 HG SER A 72 1.359 -10.045 -1.694 1.00 0.00 H new ATOM 1065 N VAL A 73 2.786 -13.852 -0.003 1.00 0.00 N ATOM 1066 CA VAL A 73 3.212 -15.044 -0.755 1.00 0.00 C ATOM 1067 C VAL A 73 4.581 -15.555 -0.296 1.00 0.00 C ATOM 1068 O VAL A 73 5.407 -14.791 0.197 1.00 0.00 O ATOM 1069 CB VAL A 73 3.296 -14.774 -2.285 1.00 0.00 C ATOM 1070 CG1 VAL A 73 2.400 -15.764 -3.037 1.00 0.00 C ATOM 1071 CG2 VAL A 73 2.970 -13.351 -2.765 1.00 0.00 C ATOM 0 H VAL A 73 3.565 -13.328 0.395 1.00 0.00 H new ATOM 0 HA VAL A 73 2.449 -15.796 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 73 4.354 -14.906 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.463 -15.570 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.731 -16.782 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.368 -15.645 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.067 -13.302 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.949 -13.096 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.662 -12.645 -2.306 1.00 0.00 H new ATOM 1081 N ALA A 74 4.870 -16.833 -0.577 1.00 0.00 N ATOM 1082 CA ALA A 74 6.201 -17.427 -0.431 1.00 0.00 C ATOM 1083 C ALA A 74 7.231 -16.863 -1.434 1.00 0.00 C ATOM 1084 O ALA A 74 8.432 -16.884 -1.167 1.00 0.00 O ATOM 1085 CB ALA A 74 6.057 -18.941 -0.611 1.00 0.00 C ATOM 0 H ALA A 74 4.171 -17.493 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 74 6.584 -17.178 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.033 -19.414 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.381 -19.335 0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.654 -19.153 -1.601 1.00 0.00 H new ATOM 1091 N THR A 75 6.769 -16.325 -2.571 1.00 0.00 N ATOM 1092 CA THR A 75 7.586 -15.683 -3.613 1.00 0.00 C ATOM 1093 C THR A 75 7.959 -14.228 -3.299 1.00 0.00 C ATOM 1094 O THR A 75 8.582 -13.562 -4.123 1.00 0.00 O ATOM 1095 CB THR A 75 6.876 -15.729 -4.974 1.00 0.00 C ATOM 1096 OG1 THR A 75 5.604 -15.132 -4.874 1.00 0.00 O ATOM 1097 CG2 THR A 75 6.696 -17.160 -5.486 1.00 0.00 C ATOM 0 H THR A 75 5.775 -16.325 -2.800 1.00 0.00 H new ATOM 0 HA THR A 75 8.511 -16.259 -3.645 1.00 0.00 H new ATOM 0 HB THR A 75 7.507 -15.185 -5.677 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.158 -15.164 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.189 -17.140 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.672 -17.632 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.098 -17.729 -4.774 1.00 0.00 H new ATOM 1105 N ALA A 76 7.623 -13.711 -2.110 1.00 0.00 N ATOM 1106 CA ALA A 76 7.928 -12.351 -1.652 1.00 0.00 C ATOM 1107 C ALA A 76 9.434 -12.063 -1.420 1.00 0.00 C ATOM 1108 O ALA A 76 9.765 -11.135 -0.689 1.00 0.00 O ATOM 1109 CB ALA A 76 7.095 -12.097 -0.388 1.00 0.00 C ATOM 0 H ALA A 76 7.110 -14.252 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 76 7.662 -11.657 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.295 -11.092 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.035 -12.192 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.362 -12.827 0.376 1.00 0.00 H new ATOM 1115 N ASN A 77 10.343 -12.826 -2.047 1.00 0.00 N ATOM 1116 CA ASN A 77 11.807 -12.927 -1.872 1.00 0.00 C ATOM 1117 C ASN A 77 12.590 -11.648 -2.266 1.00 0.00 C ATOM 1118 O ASN A 77 13.767 -11.706 -2.622 1.00 0.00 O ATOM 1119 CB ASN A 77 12.322 -14.157 -2.660 1.00 0.00 C ATOM 1120 CG ASN A 77 11.340 -15.319 -2.696 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.841 -15.691 -3.746 1.00 0.00 O ATOM 1122 ND2 ASN A 77 10.960 -15.853 -1.557 1.00 0.00 N ATOM 0 H ASN A 77 10.035 -13.466 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 77 11.992 -13.047 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.548 -13.853 -3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.257 -14.497 -2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.246 -16.581 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.379 -15.539 -0.682 1.00 0.00 H new ATOM 1129 N ALA A 78 11.912 -10.502 -2.293 1.00 0.00 N ATOM 1130 CA ALA A 78 12.346 -9.271 -2.921 1.00 0.00 C ATOM 1131 C ALA A 78 13.237 -8.409 -2.015 1.00 0.00 C ATOM 1132 O ALA A 78 13.147 -8.447 -0.787 1.00 0.00 O ATOM 1133 CB ALA A 78 11.083 -8.496 -3.321 1.00 0.00 C ATOM 0 H ALA A 78 10.997 -10.410 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 78 12.961 -9.517 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.367 -7.559 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.494 -9.094 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.489 -8.284 -2.432 1.00 0.00 H new ATOM 1139 N LYS A 79 14.026 -7.553 -2.673 1.00 0.00 N ATOM 1140 CA LYS A 79 14.558 -6.279 -2.186 1.00 0.00 C ATOM 1141 C LYS A 79 13.491 -5.217 -2.476 1.00 0.00 C ATOM 1142 O LYS A 79 13.250 -4.901 -3.639 1.00 0.00 O ATOM 1143 CB LYS A 79 15.905 -6.041 -2.898 1.00 0.00 C ATOM 1144 CG LYS A 79 16.479 -4.611 -2.856 1.00 0.00 C ATOM 1145 CD LYS A 79 16.311 -3.834 -4.181 1.00 0.00 C ATOM 1146 CE LYS A 79 17.545 -2.989 -4.535 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.696 -1.816 -3.652 1.00 0.00 N ATOM 0 H LYS A 79 14.330 -7.747 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 79 14.760 -6.254 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.642 -6.714 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.791 -6.329 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.990 -4.056 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.539 -4.662 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.115 -4.539 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.439 -3.184 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.439 -3.609 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.468 -2.654 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.480 -1.224 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.816 -1.262 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.898 -2.135 -2.683 1.00 0.00 H new ATOM 1161 N VAL A 80 12.785 -4.758 -1.436 1.00 0.00 N ATOM 1162 CA VAL A 80 11.538 -3.986 -1.551 1.00 0.00 C ATOM 1163 C VAL A 80 11.540 -2.754 -0.640 1.00 0.00 C ATOM 1164 O VAL A 80 11.938 -2.805 0.525 1.00 0.00 O ATOM 1165 CB VAL A 80 10.300 -4.894 -1.356 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.339 -5.750 -0.082 1.00 0.00 C ATOM 1167 CG2 VAL A 80 8.986 -4.097 -1.381 1.00 0.00 C ATOM 0 H VAL A 80 13.069 -4.915 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 80 11.476 -3.595 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 80 10.337 -5.573 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.435 -6.356 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.212 -6.403 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.398 -5.100 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.146 -4.777 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.993 -3.358 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.886 -3.590 -2.341 1.00 0.00 H new ATOM 1177 N LEU A 81 11.088 -1.642 -1.226 1.00 0.00 N ATOM 1178 CA LEU A 81 11.097 -0.281 -0.705 1.00 0.00 C ATOM 1179 C LEU A 81 9.686 0.075 -0.219 1.00 0.00 C ATOM 1180 O LEU A 81 8.731 0.062 -0.993 1.00 0.00 O ATOM 1181 CB LEU A 81 11.598 0.626 -1.849 1.00 0.00 C ATOM 1182 CG LEU A 81 12.054 2.056 -1.505 1.00 0.00 C ATOM 1183 CD1 LEU A 81 10.982 2.896 -0.816 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.331 2.076 -0.667 1.00 0.00 C ATOM 0 H LEU A 81 10.672 -1.679 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 81 11.757 -0.156 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.433 0.119 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.799 0.701 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 81 12.257 2.512 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.378 3.890 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.113 2.982 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.689 2.417 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.609 3.108 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.160 1.544 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.136 1.591 -1.219 1.00 0.00 H new ATOM 1196 N ILE A 82 9.559 0.364 1.075 1.00 0.00 N ATOM 1197 CA ILE A 82 8.309 0.623 1.789 1.00 0.00 C ATOM 1198 C ILE A 82 8.344 2.063 2.322 1.00 0.00 C ATOM 1199 O ILE A 82 9.356 2.491 2.881 1.00 0.00 O ATOM 1200 CB ILE A 82 8.167 -0.431 2.918 1.00 0.00 C ATOM 1201 CG1 ILE A 82 7.946 -1.850 2.340 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.016 -0.094 3.878 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.308 -2.970 3.326 1.00 0.00 C ATOM 0 H ILE A 82 10.372 0.427 1.688 1.00 0.00 H new ATOM 0 HA ILE A 82 7.439 0.533 1.139 1.00 0.00 H new ATOM 0 HB ILE A 82 9.104 -0.410 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.902 -1.957 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.544 -1.964 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 82 6.953 -0.858 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.199 0.876 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.078 -0.061 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.130 -3.938 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.360 -2.887 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.692 -2.880 4.221 1.00 0.00 H new ATOM 1215 N GLU A 83 7.237 2.804 2.194 1.00 0.00 N ATOM 1216 CA GLU A 83 7.048 4.038 2.962 1.00 0.00 C ATOM 1217 C GLU A 83 6.384 3.769 4.320 1.00 0.00 C ATOM 1218 O GLU A 83 5.396 3.034 4.402 1.00 0.00 O ATOM 1219 CB GLU A 83 6.244 5.099 2.194 1.00 0.00 C ATOM 1220 CG GLU A 83 7.067 5.804 1.112 1.00 0.00 C ATOM 1221 CD GLU A 83 6.440 7.159 0.765 1.00 0.00 C ATOM 1222 OE1 GLU A 83 6.758 8.142 1.481 1.00 0.00 O ATOM 1223 OE2 GLU A 83 5.627 7.198 -0.181 1.00 0.00 O ATOM 0 H GLU A 83 6.464 2.572 1.570 1.00 0.00 H new ATOM 0 HA GLU A 83 8.049 4.434 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.376 4.627 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.867 5.841 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.090 5.947 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.118 5.180 0.220 1.00 0.00 H new ATOM 1230 N LEU A 84 6.883 4.439 5.367 1.00 0.00 N ATOM 1231 CA LEU A 84 6.269 4.558 6.700 1.00 0.00 C ATOM 1232 C LEU A 84 6.061 6.039 7.042 1.00 0.00 C ATOM 1233 O LEU A 84 6.737 6.904 6.493 1.00 0.00 O ATOM 1234 CB LEU A 84 7.161 3.901 7.778 1.00 0.00 C ATOM 1235 CG LEU A 84 6.835 2.445 8.137 1.00 0.00 C ATOM 1236 CD1 LEU A 84 7.132 1.476 6.996 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.664 2.032 9.350 1.00 0.00 C ATOM 0 H LEU A 84 7.770 4.938 5.306 1.00 0.00 H new ATOM 0 HA LEU A 84 5.308 4.044 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.196 3.946 7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.097 4.500 8.687 1.00 0.00 H new ATOM 0 HG LEU A 84 5.767 2.396 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.882 0.461 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.535 1.746 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.191 1.528 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.437 0.998 9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.724 2.123 9.114 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.423 2.680 10.193 1.00 0.00 H new ATOM 1249 N GLU A 85 5.175 6.330 7.998 1.00 0.00 N ATOM 1250 CA GLU A 85 4.986 7.659 8.588 1.00 0.00 C ATOM 1251 C GLU A 85 5.621 7.676 9.988 1.00 0.00 C ATOM 1252 O GLU A 85 5.075 7.053 10.905 1.00 0.00 O ATOM 1253 CB GLU A 85 3.490 8.020 8.654 1.00 0.00 C ATOM 1254 CG GLU A 85 3.262 9.495 9.035 1.00 0.00 C ATOM 1255 CD GLU A 85 2.106 9.661 10.027 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.937 9.768 9.584 1.00 0.00 O ATOM 1257 OE2 GLU A 85 2.384 9.661 11.247 1.00 0.00 O ATOM 0 H GLU A 85 4.551 5.627 8.395 1.00 0.00 H new ATOM 0 HA GLU A 85 5.473 8.408 7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.027 7.821 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.995 7.378 9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.175 9.902 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.053 10.073 8.135 1.00 0.00 H new ATOM 1264 N PRO A 86 6.783 8.323 10.185 1.00 0.00 N ATOM 1265 CA PRO A 86 7.253 8.737 11.497 1.00 0.00 C ATOM 1266 C PRO A 86 6.631 10.101 11.858 1.00 0.00 C ATOM 1267 O PRO A 86 6.853 11.068 11.117 1.00 0.00 O ATOM 1268 CB PRO A 86 8.770 8.838 11.356 1.00 0.00 C ATOM 1269 CG PRO A 86 9.019 9.108 9.872 1.00 0.00 C ATOM 1270 CD PRO A 86 7.688 8.831 9.168 1.00 0.00 C ATOM 0 HA PRO A 86 6.975 8.043 12.290 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.170 9.641 11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.257 7.917 11.676 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.340 10.137 9.710 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.808 8.463 9.484 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.292 9.740 8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.817 8.105 8.365 1.00 0.00 H new ATOM 1278 N PRO A 87 5.874 10.231 12.966 1.00 0.00 N ATOM 1279 CA PRO A 87 5.424 11.539 13.446 1.00 0.00 C ATOM 1280 C PRO A 87 6.608 12.452 13.832 1.00 0.00 C ATOM 1281 O PRO A 87 7.760 12.022 13.907 1.00 0.00 O ATOM 1282 CB PRO A 87 4.473 11.236 14.612 1.00 0.00 C ATOM 1283 CG PRO A 87 4.943 9.874 15.121 1.00 0.00 C ATOM 1284 CD PRO A 87 5.416 9.170 13.853 1.00 0.00 C ATOM 0 HA PRO A 87 4.908 12.106 12.672 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.538 11.998 15.389 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.434 11.204 14.283 1.00 0.00 H new ATOM 0 HG2 PRO A 87 5.747 9.973 15.850 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.136 9.326 15.608 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.220 8.467 14.071 1.00 0.00 H new ATOM 0 HD3 PRO A 87 4.608 8.599 13.397 1.00 0.00 H new ATOM 1292 N PHE A 88 6.338 13.748 14.016 1.00 0.00 N ATOM 1293 CA PHE A 88 7.388 14.752 14.219 1.00 0.00 C ATOM 1294 C PHE A 88 7.991 14.746 15.631 1.00 0.00 C ATOM 1295 O PHE A 88 7.443 14.169 16.570 1.00 0.00 O ATOM 1296 CB PHE A 88 6.860 16.135 13.816 1.00 0.00 C ATOM 1297 CG PHE A 88 6.709 16.270 12.313 1.00 0.00 C ATOM 1298 CD1 PHE A 88 7.846 16.526 11.522 1.00 0.00 C ATOM 1299 CD2 PHE A 88 5.454 16.101 11.698 1.00 0.00 C ATOM 1300 CE1 PHE A 88 7.732 16.616 10.124 1.00 0.00 C ATOM 1301 CE2 PHE A 88 5.340 16.189 10.299 1.00 0.00 C ATOM 1302 CZ PHE A 88 6.477 16.448 9.512 1.00 0.00 C ATOM 0 H PHE A 88 5.392 14.129 14.029 1.00 0.00 H new ATOM 0 HA PHE A 88 8.223 14.486 13.570 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.896 16.308 14.294 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.540 16.904 14.182 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.810 16.654 11.992 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.579 15.904 12.300 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.606 16.814 9.521 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.377 16.057 9.828 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.386 16.518 8.438 1.00 0.00 H new ATOM 1312 N GLY A 89 9.149 15.401 15.760 1.00 0.00 N ATOM 1313 CA GLY A 89 10.011 15.338 16.931 1.00 0.00 C ATOM 1314 C GLY A 89 10.973 14.165 16.794 1.00 0.00 C ATOM 1315 O GLY A 89 12.027 14.299 16.175 1.00 0.00 O ATOM 0 H GLY A 89 9.518 16.006 15.027 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.569 16.269 17.035 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.409 15.225 17.833 1.00 0.00 H new ATOM 1319 N ASP A 90 10.593 12.999 17.312 1.00 0.00 N ATOM 1320 CA ASP A 90 11.366 11.760 17.218 1.00 0.00 C ATOM 1321 C ASP A 90 10.480 10.601 16.746 1.00 0.00 C ATOM 1322 O ASP A 90 9.248 10.674 16.743 1.00 0.00 O ATOM 1323 CB ASP A 90 12.021 11.443 18.576 1.00 0.00 C ATOM 1324 CG ASP A 90 13.140 12.421 18.944 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.100 12.561 18.146 1.00 0.00 O ATOM 1326 OD2 ASP A 90 13.084 13.029 20.037 1.00 0.00 O ATOM 0 H ASP A 90 9.717 12.886 17.822 1.00 0.00 H new ATOM 0 HA ASP A 90 12.156 11.893 16.478 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.258 11.463 19.354 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.425 10.431 18.551 1.00 0.00 H new ATOM 1331 N SER A 91 11.105 9.501 16.326 1.00 0.00 N ATOM 1332 CA SER A 91 10.423 8.244 16.038 1.00 0.00 C ATOM 1333 C SER A 91 11.370 7.052 16.131 1.00 0.00 C ATOM 1334 O SER A 91 12.592 7.183 16.083 1.00 0.00 O ATOM 1335 CB SER A 91 9.771 8.298 14.653 1.00 0.00 C ATOM 1336 OG SER A 91 8.650 9.155 14.698 1.00 0.00 O ATOM 0 H SER A 91 12.113 9.460 16.175 1.00 0.00 H new ATOM 0 HA SER A 91 9.648 8.109 16.793 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.488 8.657 13.915 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.467 7.298 14.342 1.00 0.00 H new ATOM 0 HG SER A 91 8.554 9.521 15.602 1.00 0.00 H new ATOM 1342 N TYR A 92 10.776 5.870 16.228 1.00 0.00 N ATOM 1343 CA TYR A 92 11.421 4.571 16.259 1.00 0.00 C ATOM 1344 C TYR A 92 10.682 3.649 15.296 1.00 0.00 C ATOM 1345 O TYR A 92 9.452 3.545 15.323 1.00 0.00 O ATOM 1346 CB TYR A 92 11.438 4.026 17.688 1.00 0.00 C ATOM 1347 CG TYR A 92 12.412 4.754 18.595 1.00 0.00 C ATOM 1348 CD1 TYR A 92 12.033 5.950 19.239 1.00 0.00 C ATOM 1349 CD2 TYR A 92 13.722 4.261 18.749 1.00 0.00 C ATOM 1350 CE1 TYR A 92 12.961 6.658 20.025 1.00 0.00 C ATOM 1351 CE2 TYR A 92 14.652 4.961 19.541 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.277 6.167 20.170 1.00 0.00 C ATOM 1353 OH TYR A 92 15.195 6.859 20.897 1.00 0.00 O ATOM 0 H TYR A 92 9.761 5.792 16.291 1.00 0.00 H new ATOM 0 HA TYR A 92 12.461 4.645 15.941 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.435 4.099 18.109 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.697 2.968 17.663 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.026 6.324 19.128 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.014 3.344 18.259 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.668 7.574 20.516 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.653 4.575 19.667 1.00 0.00 H new ATOM 0 HH TYR A 92 16.048 6.376 20.892 1.00 0.00 H new ATOM 1363 N ILE A 93 11.463 3.013 14.426 1.00 0.00 N ATOM 1364 CA ILE A 93 11.017 2.150 13.343 1.00 0.00 C ATOM 1365 C ILE A 93 11.416 0.728 13.721 1.00 0.00 C ATOM 1366 O ILE A 93 12.604 0.400 13.788 1.00 0.00 O ATOM 1367 CB ILE A 93 11.612 2.606 11.992 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.373 4.106 11.683 1.00 0.00 C ATOM 1369 CG2 ILE A 93 11.055 1.716 10.872 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.906 4.556 11.618 1.00 0.00 C ATOM 0 H ILE A 93 12.479 3.093 14.463 1.00 0.00 H new ATOM 0 HA ILE A 93 9.936 2.200 13.209 1.00 0.00 H new ATOM 0 HB ILE A 93 12.694 2.495 12.057 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.880 4.698 12.444 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.846 4.340 10.729 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.471 2.032 9.915 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.329 0.678 11.062 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.969 1.805 10.843 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.862 5.622 11.396 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.389 4.001 10.835 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.424 4.365 12.577 1.00 0.00 H new ATOM 1382 N VAL A 94 10.417 -0.090 14.049 1.00 0.00 N ATOM 1383 CA VAL A 94 10.612 -1.398 14.683 1.00 0.00 C ATOM 1384 C VAL A 94 10.243 -2.495 13.691 1.00 0.00 C ATOM 1385 O VAL A 94 9.272 -2.367 12.944 1.00 0.00 O ATOM 1386 CB VAL A 94 9.823 -1.503 16.005 1.00 0.00 C ATOM 1387 CG1 VAL A 94 10.197 -2.786 16.761 1.00 0.00 C ATOM 1388 CG2 VAL A 94 10.107 -0.308 16.934 1.00 0.00 C ATOM 0 H VAL A 94 9.437 0.137 13.881 1.00 0.00 H new ATOM 0 HA VAL A 94 11.661 -1.521 14.951 1.00 0.00 H new ATOM 0 HB VAL A 94 8.767 -1.512 15.736 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.629 -2.840 17.690 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.965 -3.653 16.143 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.263 -2.777 16.988 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.533 -0.418 17.854 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.170 -0.276 17.171 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.819 0.617 16.435 1.00 0.00 H new ATOM 1398 N VAL A 95 11.058 -3.553 13.668 1.00 0.00 N ATOM 1399 CA VAL A 95 11.029 -4.663 12.714 1.00 0.00 C ATOM 1400 C VAL A 95 11.127 -5.951 13.534 1.00 0.00 C ATOM 1401 O VAL A 95 12.226 -6.411 13.836 1.00 0.00 O ATOM 1402 CB VAL A 95 12.193 -4.514 11.699 1.00 0.00 C ATOM 1403 CG1 VAL A 95 12.287 -5.689 10.714 1.00 0.00 C ATOM 1404 CG2 VAL A 95 12.049 -3.234 10.860 1.00 0.00 C ATOM 0 H VAL A 95 11.801 -3.663 14.358 1.00 0.00 H new ATOM 0 HA VAL A 95 10.111 -4.677 12.127 1.00 0.00 H new ATOM 0 HB VAL A 95 13.094 -4.481 12.312 1.00 0.00 H new ATOM 0 HG11 VAL A 95 13.120 -5.525 10.031 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.447 -6.615 11.266 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.360 -5.762 10.145 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.881 -3.162 10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.111 -3.266 10.306 1.00 0.00 H new ATOM 0 HG23 VAL A 95 12.053 -2.365 11.518 1.00 0.00 H new ATOM 1414 N GLY A 96 9.999 -6.520 13.967 1.00 0.00 N ATOM 1415 CA GLY A 96 10.050 -7.709 14.815 1.00 0.00 C ATOM 1416 C GLY A 96 8.808 -8.043 15.622 1.00 0.00 C ATOM 1417 O GLY A 96 8.016 -7.175 15.977 1.00 0.00 O ATOM 0 H GLY A 96 9.060 -6.185 13.750 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.281 -8.565 14.181 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.882 -7.593 15.509 1.00 0.00 H new ATOM 1421 N ARG A 97 8.710 -9.324 15.990 1.00 0.00 N ATOM 1422 CA ARG A 97 7.628 -9.909 16.784 1.00 0.00 C ATOM 1423 C ARG A 97 8.215 -10.575 18.030 1.00 0.00 C ATOM 1424 O ARG A 97 9.075 -11.443 17.912 1.00 0.00 O ATOM 1425 CB ARG A 97 6.781 -10.881 15.938 1.00 0.00 C ATOM 1426 CG ARG A 97 7.587 -11.961 15.175 1.00 0.00 C ATOM 1427 CD ARG A 97 6.888 -13.320 15.119 1.00 0.00 C ATOM 1428 NE ARG A 97 6.761 -13.896 16.464 1.00 0.00 N ATOM 1429 CZ ARG A 97 5.661 -14.119 17.164 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.449 -13.976 16.662 1.00 0.00 N ATOM 1431 NH2 ARG A 97 5.777 -14.481 18.419 1.00 0.00 N ATOM 0 H ARG A 97 9.416 -10.012 15.730 1.00 0.00 H new ATOM 0 HA ARG A 97 6.950 -9.121 17.111 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.065 -11.379 16.592 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.205 -10.302 15.216 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.771 -11.614 14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.560 -12.081 15.652 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.900 -13.208 14.672 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.453 -13.999 14.480 1.00 0.00 H new ATOM 0 HE ARG A 97 7.636 -14.159 16.918 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.330 -13.681 15.693 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.631 -14.160 17.243 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.702 -14.585 18.836 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.942 -14.658 18.978 1.00 0.00 H new ATOM 1445 N GLY A 98 7.753 -10.145 19.208 1.00 0.00 N ATOM 1446 CA GLY A 98 8.152 -10.608 20.543 1.00 0.00 C ATOM 1447 C GLY A 98 9.613 -11.052 20.675 1.00 0.00 C ATOM 1448 O GLY A 98 10.497 -10.236 20.919 1.00 0.00 O ATOM 0 H GLY A 98 7.042 -9.415 19.259 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.968 -9.806 21.257 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.510 -11.441 20.827 1.00 0.00 H new ATOM 1452 N GLU A 99 9.847 -12.358 20.530 1.00 0.00 N ATOM 1453 CA GLU A 99 11.136 -13.037 20.673 1.00 0.00 C ATOM 1454 C GLU A 99 12.181 -12.747 19.580 1.00 0.00 C ATOM 1455 O GLU A 99 13.364 -12.987 19.814 1.00 0.00 O ATOM 1456 CB GLU A 99 10.872 -14.552 20.775 1.00 0.00 C ATOM 1457 CG GLU A 99 10.453 -15.265 19.470 1.00 0.00 C ATOM 1458 CD GLU A 99 9.150 -14.766 18.821 1.00 0.00 C ATOM 1459 OE1 GLU A 99 8.208 -14.349 19.536 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.057 -14.806 17.574 1.00 0.00 O ATOM 0 H GLU A 99 9.097 -13.008 20.296 1.00 0.00 H new ATOM 0 HA GLU A 99 11.591 -12.633 21.577 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.775 -15.032 21.152 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.092 -14.714 21.519 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.261 -15.160 18.746 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.348 -16.330 19.678 1.00 0.00 H new ATOM 1467 N GLN A 100 11.779 -12.238 18.407 1.00 0.00 N ATOM 1468 CA GLN A 100 12.678 -11.938 17.287 1.00 0.00 C ATOM 1469 C GLN A 100 12.419 -10.512 16.782 1.00 0.00 C ATOM 1470 O GLN A 100 11.433 -10.251 16.088 1.00 0.00 O ATOM 1471 CB GLN A 100 12.607 -13.045 16.206 1.00 0.00 C ATOM 1472 CG GLN A 100 11.277 -13.136 15.438 1.00 0.00 C ATOM 1473 CD GLN A 100 11.086 -14.463 14.713 1.00 0.00 C ATOM 1474 OE1 GLN A 100 11.584 -14.687 13.619 1.00 0.00 O ATOM 1475 NE2 GLN A 100 10.314 -15.372 15.273 1.00 0.00 N ATOM 0 H GLN A 100 10.803 -12.020 18.208 1.00 0.00 H new ATOM 0 HA GLN A 100 13.716 -11.950 17.618 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.410 -12.880 15.488 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.798 -14.007 16.682 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.452 -12.990 16.136 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.229 -12.324 14.713 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.895 -15.193 16.185 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.136 -16.255 14.794 1.00 0.00 H new ATOM 1484 N GLN A 101 13.284 -9.565 17.179 1.00 0.00 N ATOM 1485 CA GLN A 101 13.147 -8.167 16.776 1.00 0.00 C ATOM 1486 C GLN A 101 14.466 -7.463 16.463 1.00 0.00 C ATOM 1487 O GLN A 101 15.529 -7.823 16.966 1.00 0.00 O ATOM 1488 CB GLN A 101 12.290 -7.395 17.810 1.00 0.00 C ATOM 1489 CG GLN A 101 13.040 -6.822 19.030 1.00 0.00 C ATOM 1490 CD GLN A 101 13.320 -5.321 18.891 1.00 0.00 C ATOM 1491 OE1 GLN A 101 14.386 -4.873 18.487 1.00 0.00 O ATOM 1492 NE2 GLN A 101 12.362 -4.476 19.222 1.00 0.00 N ATOM 0 H GLN A 101 14.087 -9.749 17.781 1.00 0.00 H new ATOM 0 HA GLN A 101 12.624 -8.170 15.820 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.794 -6.572 17.296 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.508 -8.062 18.172 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.451 -6.997 19.930 1.00 0.00 H new ATOM 0 HG3 GLN A 101 13.983 -7.355 19.157 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.466 -4.828 19.561 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.517 -3.471 19.139 1.00 0.00 H new ATOM 1501 N ILE A 102 14.337 -6.421 15.645 1.00 0.00 N ATOM 1502 CA ILE A 102 15.334 -5.413 15.314 1.00 0.00 C ATOM 1503 C ILE A 102 14.635 -4.041 15.321 1.00 0.00 C ATOM 1504 O ILE A 102 13.410 -3.947 15.195 1.00 0.00 O ATOM 1505 CB ILE A 102 16.012 -5.689 13.941 1.00 0.00 C ATOM 1506 CG1 ILE A 102 15.614 -7.005 13.223 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.536 -5.612 14.130 1.00 0.00 C ATOM 1508 CD1 ILE A 102 16.167 -7.148 11.798 1.00 0.00 C ATOM 0 H ILE A 102 13.458 -6.248 15.157 1.00 0.00 H new ATOM 0 HA ILE A 102 16.134 -5.437 16.054 1.00 0.00 H new ATOM 0 HB ILE A 102 15.641 -4.917 13.267 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.961 -7.848 13.820 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.526 -7.068 13.185 1.00 0.00 H new ATOM 0 HG21 ILE A 102 18.031 -5.803 13.178 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.809 -4.619 14.488 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.851 -6.359 14.858 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.839 -8.097 11.374 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.799 -6.328 11.181 1.00 0.00 H new ATOM 0 HD13 ILE A 102 17.256 -7.121 11.826 1.00 0.00 H new ATOM 1520 N ASN A 103 15.401 -2.956 15.444 1.00 0.00 N ATOM 1521 CA ASN A 103 14.857 -1.599 15.456 1.00 0.00 C ATOM 1522 C ASN A 103 15.880 -0.572 14.948 1.00 0.00 C ATOM 1523 O ASN A 103 17.090 -0.803 15.000 1.00 0.00 O ATOM 1524 CB ASN A 103 14.358 -1.271 16.878 1.00 0.00 C ATOM 1525 CG ASN A 103 15.457 -1.307 17.931 1.00 0.00 C ATOM 1526 OD1 ASN A 103 16.100 -0.307 18.203 1.00 0.00 O ATOM 1527 ND2 ASN A 103 15.697 -2.437 18.571 1.00 0.00 N ATOM 0 H ASN A 103 16.416 -2.994 15.538 1.00 0.00 H new ATOM 0 HA ASN A 103 14.014 -1.544 14.768 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.901 -0.281 16.875 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.578 -1.981 17.154 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.419 -2.472 19.291 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.161 -3.275 18.345 1.00 0.00 H new ATOM 1534 N HIS A 104 15.372 0.563 14.462 1.00 0.00 N ATOM 1535 CA HIS A 104 16.102 1.753 14.018 1.00 0.00 C ATOM 1536 C HIS A 104 15.359 3.013 14.513 1.00 0.00 C ATOM 1537 O HIS A 104 14.204 2.929 14.933 1.00 0.00 O ATOM 1538 CB HIS A 104 16.233 1.722 12.480 1.00 0.00 C ATOM 1539 CG HIS A 104 17.384 0.899 11.938 1.00 0.00 C ATOM 1540 ND1 HIS A 104 18.155 -0.017 12.619 1.00 0.00 N ATOM 1541 CD2 HIS A 104 17.877 0.964 10.664 1.00 0.00 C ATOM 1542 CE1 HIS A 104 19.095 -0.478 11.776 1.00 0.00 C ATOM 1543 NE2 HIS A 104 18.964 0.094 10.570 1.00 0.00 N ATOM 0 H HIS A 104 14.364 0.683 14.361 1.00 0.00 H new ATOM 0 HA HIS A 104 17.108 1.771 14.437 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.304 1.334 12.062 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.341 2.746 12.122 1.00 0.00 H new ATOM 0 HD1 HIS A 104 18.034 -0.297 13.592 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.491 1.583 9.867 1.00 0.00 H new ATOM 0 HE1 HIS A 104 19.850 -1.206 12.034 1.00 0.00 H new ATOM 1551 N HIS A 105 16.002 4.187 14.474 1.00 0.00 N ATOM 1552 CA HIS A 105 15.464 5.421 15.064 1.00 0.00 C ATOM 1553 C HIS A 105 15.569 6.632 14.127 1.00 0.00 C ATOM 1554 O HIS A 105 16.398 6.654 13.217 1.00 0.00 O ATOM 1555 CB HIS A 105 16.121 5.661 16.433 1.00 0.00 C ATOM 1556 CG HIS A 105 17.630 5.643 16.460 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.462 6.737 16.396 1.00 0.00 N ATOM 1558 CD2 HIS A 105 18.416 4.539 16.669 1.00 0.00 C ATOM 1559 CE1 HIS A 105 19.724 6.297 16.542 1.00 0.00 C ATOM 1560 NE2 HIS A 105 19.745 4.965 16.703 1.00 0.00 N ATOM 0 H HIS A 105 16.913 4.309 14.031 1.00 0.00 H new ATOM 0 HA HIS A 105 14.393 5.290 15.215 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.783 6.626 16.811 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.757 4.902 17.126 1.00 0.00 H new ATOM 0 HD1 HIS A 105 18.174 7.706 16.262 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.069 3.523 16.786 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.600 6.929 16.531 1.00 0.00 H new ATOM 1568 N TRP A 106 14.699 7.624 14.349 1.00 0.00 N ATOM 1569 CA TRP A 106 14.558 8.828 13.532 1.00 0.00 C ATOM 1570 C TRP A 106 14.283 10.083 14.367 1.00 0.00 C ATOM 1571 O TRP A 106 13.706 10.022 15.451 1.00 0.00 O ATOM 1572 CB TRP A 106 13.479 8.616 12.453 1.00 0.00 C ATOM 1573 CG TRP A 106 14.089 8.598 11.091 1.00 0.00 C ATOM 1574 CD1 TRP A 106 14.631 7.511 10.499 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.424 9.735 10.240 1.00 0.00 C ATOM 1576 NE1 TRP A 106 15.289 7.902 9.350 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.257 9.267 9.185 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.177 11.124 10.294 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 15.870 10.130 8.266 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.762 12.000 9.359 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.617 11.509 8.354 1.00 0.00 C ATOM 0 H TRP A 106 14.049 7.606 15.135 1.00 0.00 H new ATOM 0 HA TRP A 106 15.515 9.002 13.039 1.00 0.00 H new ATOM 0 HB2 TRP A 106 12.956 7.677 12.635 1.00 0.00 H new ATOM 0 HB3 TRP A 106 12.736 9.412 12.513 1.00 0.00 H new ATOM 0 HD1 TRP A 106 14.561 6.498 10.866 1.00 0.00 H new ATOM 0 HE1 TRP A 106 15.743 7.258 8.703 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.530 11.520 11.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.527 9.741 7.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.553 13.058 9.414 1.00 0.00 H new ATOM 0 HH2 TRP A 106 16.077 12.190 7.653 1.00 0.00 H new ATOM 1592 N HIS A 107 14.709 11.230 13.829 1.00 0.00 N ATOM 1593 CA HIS A 107 14.879 12.496 14.546 1.00 0.00 C ATOM 1594 C HIS A 107 14.554 13.650 13.585 1.00 0.00 C ATOM 1595 O HIS A 107 15.300 13.861 12.624 1.00 0.00 O ATOM 1596 CB HIS A 107 16.337 12.565 15.044 1.00 0.00 C ATOM 1597 CG HIS A 107 16.722 11.404 15.933 1.00 0.00 C ATOM 1598 ND1 HIS A 107 16.099 11.044 17.106 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.653 10.441 15.647 1.00 0.00 C ATOM 1600 CE1 HIS A 107 16.641 9.884 17.517 1.00 0.00 C ATOM 1601 NE2 HIS A 107 17.596 9.480 16.660 1.00 0.00 N ATOM 0 H HIS A 107 14.955 11.304 12.842 1.00 0.00 H new ATOM 0 HA HIS A 107 14.210 12.570 15.403 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.006 12.592 14.184 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.483 13.496 15.591 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.359 11.563 17.579 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.313 10.427 14.792 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.350 9.351 18.410 1.00 0.00 H new ATOM 1609 N LYS A 108 13.418 14.340 13.774 1.00 0.00 N ATOM 1610 CA LYS A 108 12.806 15.205 12.752 1.00 0.00 C ATOM 1611 C LYS A 108 12.019 16.410 13.303 1.00 0.00 C ATOM 1612 O LYS A 108 10.845 16.295 13.655 1.00 0.00 O ATOM 1613 CB LYS A 108 11.948 14.354 11.788 1.00 0.00 C ATOM 1614 CG LYS A 108 10.964 13.368 12.458 1.00 0.00 C ATOM 1615 CD LYS A 108 10.100 12.618 11.435 1.00 0.00 C ATOM 1616 CE LYS A 108 9.069 13.525 10.752 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.370 12.810 9.664 1.00 0.00 N ATOM 0 H LYS A 108 12.894 14.313 14.648 1.00 0.00 H new ATOM 0 HA LYS A 108 13.634 15.659 12.207 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.379 15.027 11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.617 13.787 11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.525 12.648 13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.317 13.914 13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.745 12.173 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.583 11.798 11.934 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.344 13.874 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.566 14.408 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.753 13.473 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.069 12.411 9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.795 12.042 10.066 1.00 0.00 H new ATOM 1631 N SER A 109 12.638 17.594 13.239 1.00 0.00 N ATOM 1632 CA SER A 109 12.008 18.917 13.369 1.00 0.00 C ATOM 1633 C SER A 109 11.339 19.155 14.732 1.00 0.00 C ATOM 1634 O SER A 109 10.132 19.396 14.815 1.00 0.00 O ATOM 1635 CB SER A 109 11.057 19.165 12.188 1.00 0.00 C ATOM 1636 OG SER A 109 10.461 20.436 12.311 1.00 0.00 O ATOM 0 H SER A 109 13.644 17.661 13.087 1.00 0.00 H new ATOM 0 HA SER A 109 12.805 19.659 13.331 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.606 19.100 11.248 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.287 18.394 12.161 1.00 0.00 H new ATOM 0 HG SER A 109 10.039 20.515 13.192 1.00 0.00 H new ATOM 1642 N GLY A 110 12.152 19.128 15.788 1.00 0.00 N ATOM 1643 CA GLY A 110 11.755 19.206 17.196 1.00 0.00 C ATOM 1644 C GLY A 110 12.227 17.999 18.015 1.00 0.00 C ATOM 1645 O GLY A 110 11.668 17.726 19.073 1.00 0.00 O ATOM 0 H GLY A 110 13.163 19.047 15.679 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.162 20.118 17.633 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.669 19.280 17.259 1.00 0.00 H new ATOM 1649 N SER A 111 13.208 17.245 17.505 1.00 0.00 N ATOM 1650 CA SER A 111 13.793 16.067 18.134 1.00 0.00 C ATOM 1651 C SER A 111 14.467 16.395 19.463 1.00 0.00 C ATOM 1652 O SER A 111 15.071 17.455 19.632 1.00 0.00 O ATOM 1653 CB SER A 111 14.840 15.477 17.179 1.00 0.00 C ATOM 1654 OG SER A 111 15.548 14.413 17.781 1.00 0.00 O ATOM 0 H SER A 111 13.631 17.454 16.601 1.00 0.00 H new ATOM 0 HA SER A 111 12.991 15.358 18.337 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.349 15.122 16.273 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.540 16.257 16.878 1.00 0.00 H new ATOM 0 HG SER A 111 15.085 13.568 17.601 1.00 0.00 H new ATOM 1660 N SER A 112 14.497 15.391 20.341 1.00 0.00 N ATOM 1661 CA SER A 112 15.310 15.311 21.555 1.00 0.00 C ATOM 1662 C SER A 112 16.798 15.611 21.311 1.00 0.00 C ATOM 1663 O SER A 112 17.491 16.033 22.232 1.00 0.00 O ATOM 1664 CB SER A 112 15.190 13.900 22.151 1.00 0.00 C ATOM 1665 OG SER A 112 13.843 13.482 22.275 1.00 0.00 O ATOM 0 H SER A 112 13.918 14.561 20.215 1.00 0.00 H new ATOM 0 HA SER A 112 14.930 16.071 22.238 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.730 13.194 21.520 1.00 0.00 H new ATOM 0 HB3 SER A 112 15.666 13.880 23.131 1.00 0.00 H new ATOM 0 HG SER A 112 13.612 12.897 21.524 1.00 0.00 H new ATOM 1671 N ILE A 113 17.291 15.407 20.079 1.00 0.00 N ATOM 1672 CA ILE A 113 18.678 15.680 19.670 1.00 0.00 C ATOM 1673 C ILE A 113 18.889 17.162 19.276 1.00 0.00 C ATOM 1674 O ILE A 113 20.026 17.598 19.116 1.00 0.00 O ATOM 1675 CB ILE A 113 19.089 14.707 18.528 1.00 0.00 C ATOM 1676 CG1 ILE A 113 18.666 13.235 18.767 1.00 0.00 C ATOM 1677 CG2 ILE A 113 20.606 14.737 18.255 1.00 0.00 C ATOM 1678 CD1 ILE A 113 19.194 12.592 20.059 1.00 0.00 C ATOM 0 H ILE A 113 16.720 15.037 19.319 1.00 0.00 H new ATOM 0 HA ILE A 113 19.330 15.504 20.525 1.00 0.00 H new ATOM 0 HB ILE A 113 18.544 15.079 17.660 1.00 0.00 H new ATOM 0 HG12 ILE A 113 17.577 13.186 18.777 1.00 0.00 H new ATOM 0 HG13 ILE A 113 19.004 12.637 17.921 1.00 0.00 H new ATOM 0 HG21 ILE A 113 20.845 14.042 17.450 1.00 0.00 H new ATOM 0 HG22 ILE A 113 20.904 15.745 17.964 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.144 14.446 19.157 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.838 11.564 20.125 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.284 12.599 20.050 1.00 0.00 H new ATOM 0 HD13 ILE A 113 18.835 13.157 20.919 1.00 0.00 H new ATOM 1690 N GLY A 114 17.817 17.957 19.132 1.00 0.00 N ATOM 1691 CA GLY A 114 17.888 19.363 18.717 1.00 0.00 C ATOM 1692 C GLY A 114 17.767 19.584 17.203 1.00 0.00 C ATOM 1693 O GLY A 114 18.236 20.609 16.710 1.00 0.00 O ATOM 0 H GLY A 114 16.865 17.635 19.303 1.00 0.00 H new ATOM 0 HA2 GLY A 114 17.094 19.917 19.217 1.00 0.00 H new ATOM 0 HA3 GLY A 114 18.834 19.783 19.059 1.00 0.00 H new ATOM 1697 N LYS A 115 17.167 18.636 16.463 1.00 0.00 N ATOM 1698 CA LYS A 115 16.949 18.711 15.005 1.00 0.00 C ATOM 1699 C LYS A 115 15.586 18.150 14.560 1.00 0.00 C ATOM 1700 O LYS A 115 14.658 18.168 15.392 1.00 0.00 O ATOM 1701 CB LYS A 115 18.147 18.083 14.268 1.00 0.00 C ATOM 1702 CG LYS A 115 18.227 16.544 14.374 1.00 0.00 C ATOM 1703 CD LYS A 115 18.885 15.893 13.145 1.00 0.00 C ATOM 1704 CE LYS A 115 18.209 16.206 11.796 1.00 0.00 C ATOM 1705 NZ LYS A 115 16.744 15.993 11.810 1.00 0.00 N ATOM 0 H LYS A 115 16.810 17.772 16.872 1.00 0.00 H new ATOM 0 HA LYS A 115 16.898 19.763 14.723 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.096 18.360 13.215 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.067 18.511 14.666 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.791 16.275 15.267 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.222 16.141 14.498 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.925 16.216 13.096 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.893 14.812 13.287 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.416 17.242 11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.652 15.580 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.375 16.055 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.534 15.052 12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.293 16.722 12.399 1.00 0.00 H new