USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 28:sc= 0.478 USER MOD Single : A 7 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.52) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 90:sc= 1.11 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.85) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 33 GLN : amide:sc= -5.95! C(o=-5.9!,f=-9.2!) USER MOD Single : A 34 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.99) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.1 K(o=-0.1,f=-0.6) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0992 USER MOD Single : A 51 LYS NZ :NH3+ -165:sc=-0.00484 (180deg=-0.193) USER MOD Single : A 53 LYS NZ :NH3+ -108:sc= -0.0881 (180deg=-0.275) USER MOD Single : A 55 SER OG : rot -62:sc= 0.932 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 82:sc= 1.13 USER MOD Single : A 62 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -149:sc= 0.021 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= -0.0956 K(o=-0.096,f=-1.1!) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -9.849 -8.269 8.047 1.00 63.00 N ATOM 2 CA THR A 5 -8.654 -7.538 7.642 1.00 21.20 C ATOM 3 C THR A 5 -8.030 -8.162 6.398 1.00 22.30 C ATOM 4 O THR A 5 -7.844 -7.491 5.383 1.00 23.40 O ATOM 5 CB THR A 5 -7.634 -7.517 8.782 1.00 15.10 C ATOM 6 OG1 THR A 5 -8.285 -7.419 10.036 1.00 34.50 O ATOM 7 CG2 THR A 5 -6.651 -6.370 8.684 1.00 64.40 C ATOM 0 HA THR A 5 -8.946 -6.515 7.406 1.00 21.20 H new ATOM 0 HB THR A 5 -7.084 -8.454 8.695 1.00 15.10 H new ATOM 0 HG1 THR A 5 -9.176 -7.822 9.974 1.00 34.50 H new ATOM 0 HG21 THR A 5 -5.956 -6.414 9.523 1.00 64.40 H new ATOM 0 HG22 THR A 5 -6.096 -6.445 7.749 1.00 64.40 H new ATOM 0 HG23 THR A 5 -7.192 -5.424 8.710 1.00 64.40 H new ATOM 15 N LEU A 6 -7.711 -9.449 6.484 1.00 21.50 N ATOM 16 CA LEU A 6 -7.108 -10.160 5.365 1.00 41.30 C ATOM 17 C LEU A 6 -8.030 -10.140 4.149 1.00 24.30 C ATOM 18 O LEU A 6 -7.584 -9.923 3.023 1.00 42.20 O ATOM 19 CB LEU A 6 -6.796 -11.600 5.762 1.00 22.00 C ATOM 20 CG LEU A 6 -5.429 -11.810 6.416 1.00 3.30 C ATOM 21 CD1 LEU A 6 -5.525 -11.630 7.923 1.00 10.40 C ATOM 22 CD2 LEU A 6 -4.884 -13.190 6.076 1.00 2.50 C ATOM 0 H LEU A 6 -7.860 -10.020 7.316 1.00 21.50 H new ATOM 0 HA LEU A 6 -6.179 -9.655 5.100 1.00 41.30 H new ATOM 0 HB2 LEU A 6 -7.568 -11.947 6.449 1.00 22.00 H new ATOM 0 HB3 LEU A 6 -6.856 -12.227 4.873 1.00 22.00 H new ATOM 0 HG LEU A 6 -4.740 -11.061 6.025 1.00 3.30 H new ATOM 0 HD11 LEU A 6 -4.543 -11.783 8.371 1.00 10.40 H new ATOM 0 HD12 LEU A 6 -5.873 -10.622 8.148 1.00 10.40 H new ATOM 0 HD13 LEU A 6 -6.228 -12.356 8.332 1.00 10.40 H new ATOM 0 HD21 LEU A 6 -3.911 -13.324 6.549 1.00 2.50 H new ATOM 0 HD22 LEU A 6 -5.572 -13.953 6.440 1.00 2.50 H new ATOM 0 HD23 LEU A 6 -4.778 -13.283 4.995 1.00 2.50 H new ATOM 34 N GLN A 7 -9.316 -10.380 4.385 1.00 72.50 N ATOM 35 CA GLN A 7 -10.300 -10.390 3.309 1.00 61.10 C ATOM 36 C GLN A 7 -10.350 -9.043 2.604 1.00 32.10 C ATOM 37 O GLN A 7 -10.490 -8.974 1.383 1.00 55.30 O ATOM 38 CB GLN A 7 -11.680 -10.740 3.860 1.00 32.00 C ATOM 39 CG GLN A 7 -12.630 -11.290 2.808 1.00 62.50 C ATOM 40 CD GLN A 7 -12.060 -12.470 2.060 1.00 22.40 C ATOM 41 OE1 GLN A 7 -12.250 -13.630 2.452 1.00 24.20 O ATOM 42 NE2 GLN A 7 -11.340 -12.200 0.977 1.00 65.10 N ATOM 0 H GLN A 7 -9.700 -10.570 5.311 1.00 72.50 H new ATOM 0 HA GLN A 7 -10.001 -11.147 2.584 1.00 61.10 H new ATOM 0 HB2 GLN A 7 -11.569 -11.475 4.658 1.00 32.00 H new ATOM 0 HB3 GLN A 7 -12.121 -9.849 4.307 1.00 32.00 H new ATOM 0 HG2 GLN A 7 -13.563 -11.587 3.288 1.00 62.50 H new ATOM 0 HG3 GLN A 7 -12.874 -10.500 2.098 1.00 62.50 H new ATOM 0 HE21 GLN A 7 -11.204 -11.233 0.683 1.00 65.10 H new ATOM 0 HE22 GLN A 7 -10.923 -12.960 0.439 1.00 65.10 H new ATOM 51 N LYS A 8 -10.220 -7.971 3.379 1.00 54.30 N ATOM 52 CA LYS A 8 -10.250 -6.621 2.829 1.00 25.20 C ATOM 53 C LYS A 8 -8.924 -6.268 2.179 1.00 44.30 C ATOM 54 O LYS A 8 -8.882 -5.578 1.160 1.00 52.20 O ATOM 55 CB LYS A 8 -10.580 -5.608 3.926 1.00 3.13 C ATOM 56 CG LYS A 8 -12.070 -5.353 4.091 1.00 11.50 C ATOM 57 CD LYS A 8 -12.520 -4.116 3.326 1.00 42.30 C ATOM 58 CE LYS A 8 -13.020 -4.470 1.935 1.00 22.30 C ATOM 59 NZ LYS A 8 -14.500 -4.551 1.882 1.00 71.40 N ATOM 0 H LYS A 8 -10.093 -8.011 4.390 1.00 54.30 H new ATOM 0 HA LYS A 8 -11.027 -6.586 2.065 1.00 25.20 H new ATOM 0 HB2 LYS A 8 -10.174 -5.965 4.873 1.00 3.13 H new ATOM 0 HB3 LYS A 8 -10.081 -4.665 3.700 1.00 3.13 H new ATOM 0 HG2 LYS A 8 -12.628 -6.221 3.740 1.00 11.50 H new ATOM 0 HG3 LYS A 8 -12.303 -5.231 5.149 1.00 11.50 H new ATOM 0 HD2 LYS A 8 -13.312 -3.612 3.881 1.00 42.30 H new ATOM 0 HD3 LYS A 8 -11.690 -3.414 3.247 1.00 42.30 H new ATOM 0 HE2 LYS A 8 -12.672 -3.722 1.223 1.00 22.30 H new ATOM 0 HE3 LYS A 8 -12.593 -5.425 1.628 1.00 22.30 H new ATOM 0 HZ1 LYS A 8 -14.800 -4.795 0.916 1.00 71.40 H new ATOM 0 HZ2 LYS A 8 -14.832 -5.283 2.543 1.00 71.40 H new ATOM 0 HZ3 LYS A 8 -14.908 -3.633 2.150 1.00 71.40 H new ATOM 73 N ALA A 9 -7.837 -6.745 2.775 1.00 70.10 N ATOM 74 CA ALA A 9 -6.501 -6.480 2.255 1.00 24.10 C ATOM 75 C ALA A 9 -6.345 -7.028 0.840 1.00 24.10 C ATOM 76 O ALA A 9 -5.862 -6.334 -0.055 1.00 24.40 O ATOM 77 CB ALA A 9 -5.448 -7.080 3.174 1.00 64.30 C ATOM 0 H ALA A 9 -7.855 -7.317 3.619 1.00 70.10 H new ATOM 0 HA ALA A 9 -6.360 -5.400 2.217 1.00 24.10 H new ATOM 0 HB1 ALA A 9 -4.455 -6.874 2.773 1.00 64.30 H new ATOM 0 HB2 ALA A 9 -5.537 -6.638 4.167 1.00 64.30 H new ATOM 0 HB3 ALA A 9 -5.596 -8.158 3.242 1.00 64.30 H new ATOM 83 N ILE A 10 -6.757 -8.276 0.646 1.00 34.40 N ATOM 84 CA ILE A 10 -6.662 -8.917 -0.660 1.00 40.50 C ATOM 85 C ILE A 10 -7.534 -8.200 -1.687 1.00 63.10 C ATOM 86 O ILE A 10 -7.059 -7.807 -2.752 1.00 12.40 O ATOM 87 CB ILE A 10 -7.081 -10.390 -0.593 1.00 34.20 C ATOM 88 CG1 ILE A 10 -6.336 -11.110 0.537 1.00 32.40 C ATOM 89 CG2 ILE A 10 -6.817 -11.080 -1.925 1.00 31.20 C ATOM 90 CD1 ILE A 10 -7.206 -12.070 1.322 1.00 32.10 C ATOM 0 H ILE A 10 -7.160 -8.863 1.376 1.00 34.40 H new ATOM 0 HA ILE A 10 -5.618 -8.858 -0.966 1.00 40.50 H new ATOM 0 HB ILE A 10 -8.150 -10.434 -0.385 1.00 34.20 H new ATOM 0 HG12 ILE A 10 -5.494 -11.658 0.114 1.00 32.40 H new ATOM 0 HG13 ILE A 10 -5.922 -10.367 1.219 1.00 32.40 H new ATOM 0 HG21 ILE A 10 -7.120 -12.125 -1.860 1.00 31.20 H new ATOM 0 HG22 ILE A 10 -7.388 -10.585 -2.711 1.00 31.20 H new ATOM 0 HG23 ILE A 10 -5.754 -11.025 -2.159 1.00 31.20 H new ATOM 0 HD11 ILE A 10 -6.612 -12.543 2.104 1.00 32.10 H new ATOM 0 HD12 ILE A 10 -8.034 -11.524 1.775 1.00 32.10 H new ATOM 0 HD13 ILE A 10 -7.599 -12.835 0.653 1.00 32.10 H new ATOM 102 N ASP A 11 -8.811 -8.034 -1.358 1.00 42.30 N ATOM 103 CA ASP A 11 -9.749 -7.364 -2.251 1.00 54.40 C ATOM 104 C ASP A 11 -9.286 -5.945 -2.564 1.00 24.30 C ATOM 105 O ASP A 11 -9.544 -5.422 -3.648 1.00 73.20 O ATOM 106 CB ASP A 11 -11.140 -7.331 -1.626 1.00 4.44 C ATOM 107 CG ASP A 11 -11.920 -8.603 -1.890 1.00 61.20 C ATOM 108 OD1 ASP A 11 -12.600 -8.675 -2.934 1.00 44.20 O ATOM 109 OD2 ASP A 11 -11.850 -9.527 -1.052 1.00 71.20 O ATOM 0 H ASP A 11 -9.220 -8.354 -0.480 1.00 42.30 H new ATOM 0 HA ASP A 11 -9.789 -7.926 -3.184 1.00 54.40 H new ATOM 0 HB2 ASP A 11 -11.049 -7.180 -0.550 1.00 4.44 H new ATOM 0 HB3 ASP A 11 -11.693 -6.479 -2.022 1.00 4.44 H new ATOM 114 N LEU A 12 -8.600 -5.327 -1.608 1.00 34.10 N ATOM 115 CA LEU A 12 -8.100 -3.969 -1.782 1.00 40.50 C ATOM 116 C LEU A 12 -6.931 -3.941 -2.761 1.00 25.50 C ATOM 117 O LEU A 12 -6.921 -3.156 -3.709 1.00 35.50 O ATOM 118 CB LEU A 12 -7.668 -3.385 -0.435 1.00 2.53 C ATOM 119 CG LEU A 12 -8.802 -2.815 0.418 1.00 1.24 C ATOM 120 CD1 LEU A 12 -8.307 -2.498 1.821 1.00 54.10 C ATOM 121 CD2 LEU A 12 -9.386 -1.572 -0.237 1.00 22.40 C ATOM 0 H LEU A 12 -8.378 -5.746 -0.705 1.00 34.10 H new ATOM 0 HA LEU A 12 -8.907 -3.361 -2.191 1.00 40.50 H new ATOM 0 HB2 LEU A 12 -7.161 -4.163 0.135 1.00 2.53 H new ATOM 0 HB3 LEU A 12 -6.938 -2.596 -0.616 1.00 2.53 H new ATOM 0 HG LEU A 12 -9.588 -3.566 0.494 1.00 1.24 H new ATOM 0 HD11 LEU A 12 -9.128 -2.093 2.414 1.00 54.10 H new ATOM 0 HD12 LEU A 12 -7.935 -3.409 2.290 1.00 54.10 H new ATOM 0 HD13 LEU A 12 -7.503 -1.764 1.766 1.00 54.10 H new ATOM 0 HD21 LEU A 12 -10.192 -1.179 0.383 1.00 22.40 H new ATOM 0 HD22 LEU A 12 -8.607 -0.816 -0.342 1.00 22.40 H new ATOM 0 HD23 LEU A 12 -9.778 -1.829 -1.221 1.00 22.40 H new ATOM 133 N VAL A 13 -5.947 -4.803 -2.524 1.00 34.30 N ATOM 134 CA VAL A 13 -4.774 -4.877 -3.384 1.00 24.40 C ATOM 135 C VAL A 13 -5.142 -5.392 -4.773 1.00 64.40 C ATOM 136 O VAL A 13 -4.563 -4.972 -5.775 1.00 12.30 O ATOM 137 CB VAL A 13 -3.691 -5.790 -2.776 1.00 54.00 C ATOM 138 CG1 VAL A 13 -4.206 -7.214 -2.632 1.00 52.40 C ATOM 139 CG2 VAL A 13 -2.426 -5.755 -3.619 1.00 34.30 C ATOM 0 H VAL A 13 -5.940 -5.459 -1.743 1.00 34.30 H new ATOM 0 HA VAL A 13 -4.378 -3.865 -3.470 1.00 24.40 H new ATOM 0 HB VAL A 13 -3.447 -5.416 -1.781 1.00 54.00 H new ATOM 0 HG11 VAL A 13 -3.426 -7.841 -2.201 1.00 52.40 H new ATOM 0 HG12 VAL A 13 -5.079 -7.221 -1.979 1.00 52.40 H new ATOM 0 HG13 VAL A 13 -4.483 -7.602 -3.612 1.00 52.40 H new ATOM 0 HG21 VAL A 13 -1.674 -6.406 -3.173 1.00 34.30 H new ATOM 0 HG22 VAL A 13 -2.652 -6.099 -4.628 1.00 34.30 H new ATOM 0 HG23 VAL A 13 -2.045 -4.735 -3.661 1.00 34.30 H new ATOM 149 N THR A 14 -6.110 -6.302 -4.825 1.00 53.50 N ATOM 150 CA THR A 14 -6.556 -6.873 -6.091 1.00 24.00 C ATOM 151 C THR A 14 -7.052 -5.782 -7.034 1.00 12.20 C ATOM 152 O THR A 14 -6.577 -5.661 -8.164 1.00 72.50 O ATOM 153 CB THR A 14 -7.665 -7.899 -5.849 1.00 74.30 C ATOM 154 OG1 THR A 14 -7.222 -8.919 -4.972 1.00 43.40 O ATOM 155 CG2 THR A 14 -8.152 -8.564 -7.119 1.00 21.40 C ATOM 0 H THR A 14 -6.600 -6.660 -4.005 1.00 53.50 H new ATOM 0 HA THR A 14 -5.706 -7.371 -6.557 1.00 24.00 H new ATOM 0 HB THR A 14 -8.490 -7.336 -5.414 1.00 74.30 H new ATOM 0 HG1 THR A 14 -7.416 -8.661 -4.046 1.00 43.40 H new ATOM 0 HG21 THR A 14 -8.938 -9.280 -6.877 1.00 21.40 H new ATOM 0 HG22 THR A 14 -8.547 -7.808 -7.797 1.00 21.40 H new ATOM 0 HG23 THR A 14 -7.323 -9.084 -7.598 1.00 21.40 H new ATOM 163 N LYS A 15 -8.009 -4.989 -6.563 1.00 10.10 N ATOM 164 CA LYS A 15 -8.568 -3.907 -7.364 1.00 24.30 C ATOM 165 C LYS A 15 -7.484 -2.910 -7.762 1.00 74.40 C ATOM 166 O LYS A 15 -7.551 -2.296 -8.827 1.00 12.40 O ATOM 167 CB LYS A 15 -9.677 -3.191 -6.590 1.00 11.40 C ATOM 168 CG LYS A 15 -11.060 -3.757 -6.854 1.00 4.52 C ATOM 169 CD LYS A 15 -11.840 -3.955 -5.562 1.00 15.00 C ATOM 170 CE LYS A 15 -13.320 -4.173 -5.832 1.00 55.10 C ATOM 171 NZ LYS A 15 -14.080 -2.897 -5.788 1.00 11.20 N ATOM 0 H LYS A 15 -8.413 -5.076 -5.631 1.00 10.10 H new ATOM 0 HA LYS A 15 -8.990 -4.340 -8.271 1.00 24.30 H new ATOM 0 HB2 LYS A 15 -9.464 -3.255 -5.523 1.00 11.40 H new ATOM 0 HB3 LYS A 15 -9.669 -2.133 -6.854 1.00 11.40 H new ATOM 0 HG2 LYS A 15 -11.610 -3.084 -7.512 1.00 4.52 H new ATOM 0 HG3 LYS A 15 -10.970 -4.710 -7.375 1.00 4.52 H new ATOM 0 HD2 LYS A 15 -11.438 -4.811 -5.021 1.00 15.00 H new ATOM 0 HD3 LYS A 15 -11.711 -3.083 -4.921 1.00 15.00 H new ATOM 0 HE2 LYS A 15 -13.447 -4.639 -6.809 1.00 55.10 H new ATOM 0 HE3 LYS A 15 -13.727 -4.865 -5.094 1.00 55.10 H new ATOM 0 HZ1 LYS A 15 -15.085 -3.085 -5.977 1.00 11.20 H new ATOM 0 HZ2 LYS A 15 -13.979 -2.465 -4.847 1.00 11.20 H new ATOM 0 HZ3 LYS A 15 -13.708 -2.246 -6.509 1.00 11.20 H new ATOM 185 N ALA A 16 -6.485 -2.755 -6.899 1.00 44.10 N ATOM 186 CA ALA A 16 -5.385 -1.834 -7.159 1.00 71.00 C ATOM 187 C ALA A 16 -4.532 -2.318 -8.326 1.00 53.40 C ATOM 188 O ALA A 16 -4.002 -1.516 -9.095 1.00 32.50 O ATOM 189 CB ALA A 16 -4.531 -1.667 -5.912 1.00 64.00 C ATOM 0 H ALA A 16 -6.415 -3.256 -6.013 1.00 44.10 H new ATOM 0 HA ALA A 16 -5.808 -0.866 -7.428 1.00 71.00 H new ATOM 0 HB1 ALA A 16 -3.714 -0.977 -6.121 1.00 64.00 H new ATOM 0 HB2 ALA A 16 -5.143 -1.270 -5.102 1.00 64.00 H new ATOM 0 HB3 ALA A 16 -4.123 -2.634 -5.618 1.00 64.00 H new ATOM 195 N THR A 17 -4.403 -3.635 -8.453 1.00 73.00 N ATOM 196 CA THR A 17 -3.614 -4.226 -9.527 1.00 34.20 C ATOM 197 C THR A 17 -4.290 -4.013 -10.870 1.00 64.20 C ATOM 198 O THR A 17 -3.623 -3.795 -11.880 1.00 75.30 O ATOM 199 CB THR A 17 -3.411 -5.721 -9.275 1.00 51.20 C ATOM 200 OG1 THR A 17 -3.568 -6.024 -7.900 1.00 65.20 O ATOM 201 CG2 THR A 17 -2.047 -6.220 -9.702 1.00 64.20 C ATOM 0 H THR A 17 -4.835 -4.313 -7.825 1.00 73.00 H new ATOM 0 HA THR A 17 -2.641 -3.734 -9.546 1.00 34.20 H new ATOM 0 HB THR A 17 -4.169 -6.221 -9.879 1.00 51.20 H new ATOM 0 HG1 THR A 17 -3.436 -6.985 -7.760 1.00 65.20 H new ATOM 0 HG21 THR A 17 -1.969 -7.287 -9.496 1.00 64.20 H new ATOM 0 HG22 THR A 17 -1.914 -6.046 -10.770 1.00 64.20 H new ATOM 0 HG23 THR A 17 -1.275 -5.686 -9.148 1.00 64.20 H new ATOM 209 N GLU A 18 -5.617 -4.077 -10.880 1.00 34.00 N ATOM 210 CA GLU A 18 -6.383 -3.890 -12.110 1.00 14.10 C ATOM 211 C GLU A 18 -6.289 -2.447 -12.590 1.00 72.50 C ATOM 212 O GLU A 18 -6.091 -2.190 -13.780 1.00 63.30 O ATOM 213 CB GLU A 18 -7.849 -4.268 -11.880 1.00 3.54 C ATOM 214 CG GLU A 18 -8.035 -5.554 -11.090 1.00 54.30 C ATOM 215 CD GLU A 18 -7.252 -6.715 -11.670 1.00 40.00 C ATOM 216 OE1 GLU A 18 -6.004 -6.668 -11.630 1.00 72.10 O ATOM 217 OE2 GLU A 18 -7.886 -7.672 -12.170 1.00 51.40 O ATOM 0 H GLU A 18 -6.185 -4.257 -10.052 1.00 34.00 H new ATOM 0 HA GLU A 18 -5.962 -4.539 -12.878 1.00 14.10 H new ATOM 0 HB2 GLU A 18 -8.346 -3.454 -11.353 1.00 3.54 H new ATOM 0 HB3 GLU A 18 -8.344 -4.371 -12.846 1.00 3.54 H new ATOM 0 HG2 GLU A 18 -7.723 -5.390 -10.058 1.00 54.30 H new ATOM 0 HG3 GLU A 18 -9.094 -5.811 -11.066 1.00 54.30 H new ATOM 224 N GLU A 19 -6.431 -1.508 -11.660 1.00 21.40 N ATOM 225 CA GLU A 19 -6.361 -0.089 -11.990 1.00 4.05 C ATOM 226 C GLU A 19 -5.016 0.259 -12.620 1.00 13.20 C ATOM 227 O GLU A 19 -4.959 0.863 -13.690 1.00 71.30 O ATOM 228 CB GLU A 19 -6.583 0.758 -10.740 1.00 52.40 C ATOM 229 CG GLU A 19 -8.049 0.995 -10.410 1.00 23.20 C ATOM 230 CD GLU A 19 -8.818 -0.296 -10.210 1.00 10.10 C ATOM 231 OE1 GLU A 19 -8.945 -1.070 -11.180 1.00 55.10 O ATOM 232 OE2 GLU A 19 -9.293 -0.534 -9.086 1.00 42.00 O ATOM 0 H GLU A 19 -6.595 -1.704 -10.673 1.00 21.40 H new ATOM 0 HA GLU A 19 -7.148 0.128 -12.713 1.00 4.05 H new ATOM 0 HB2 GLU A 19 -6.104 0.269 -9.892 1.00 52.40 H new ATOM 0 HB3 GLU A 19 -6.090 1.721 -10.873 1.00 52.40 H new ATOM 0 HG2 GLU A 19 -8.121 1.600 -9.506 1.00 23.20 H new ATOM 0 HG3 GLU A 19 -8.511 1.568 -11.214 1.00 23.20 H new ATOM 239 N ASP A 20 -3.936 -0.128 -11.950 1.00 22.50 N ATOM 240 CA ASP A 20 -2.591 0.142 -12.450 1.00 42.30 C ATOM 241 C ASP A 20 -2.389 -0.461 -13.830 1.00 42.20 C ATOM 242 O ASP A 20 -1.628 0.065 -14.640 1.00 40.10 O ATOM 243 CB ASP A 20 -1.547 -0.418 -11.480 1.00 62.40 C ATOM 244 CG ASP A 20 -0.211 0.289 -11.600 1.00 54.10 C ATOM 245 OD1 ASP A 20 0.509 0.036 -12.590 1.00 41.30 O ATOM 246 OD2 ASP A 20 0.116 1.096 -10.700 1.00 62.40 O ATOM 0 H ASP A 20 -3.964 -0.628 -11.062 1.00 22.50 H new ATOM 0 HA ASP A 20 -2.470 1.222 -12.527 1.00 42.30 H new ATOM 0 HB2 ASP A 20 -1.915 -0.323 -10.459 1.00 62.40 H new ATOM 0 HB3 ASP A 20 -1.411 -1.482 -11.671 1.00 62.40 H new ATOM 251 N LYS A 21 -3.076 -1.568 -14.100 1.00 44.20 N ATOM 252 CA LYS A 21 -2.974 -2.242 -15.390 1.00 21.40 C ATOM 253 C LYS A 21 -3.898 -1.598 -16.410 1.00 61.20 C ATOM 254 O LYS A 21 -3.629 -1.639 -17.620 1.00 70.30 O ATOM 255 CB LYS A 21 -3.314 -3.726 -15.240 1.00 24.40 C ATOM 256 CG LYS A 21 -2.116 -4.592 -14.880 1.00 22.40 C ATOM 257 CD LYS A 21 -2.547 -5.903 -14.240 1.00 2.33 C ATOM 258 CE LYS A 21 -1.591 -7.032 -14.590 1.00 74.40 C ATOM 259 NZ LYS A 21 -2.304 -8.327 -14.770 1.00 13.40 N ATOM 0 H LYS A 21 -3.711 -2.018 -13.440 1.00 44.20 H new ATOM 0 HA LYS A 21 -1.948 -2.146 -15.744 1.00 21.40 H new ATOM 0 HB2 LYS A 21 -4.078 -3.839 -14.471 1.00 24.40 H new ATOM 0 HB3 LYS A 21 -3.746 -4.087 -16.173 1.00 24.40 H new ATOM 0 HG2 LYS A 21 -1.533 -4.799 -15.777 1.00 22.40 H new ATOM 0 HG3 LYS A 21 -1.466 -4.048 -14.195 1.00 22.40 H new ATOM 0 HD2 LYS A 21 -2.591 -5.784 -13.157 1.00 2.33 H new ATOM 0 HD3 LYS A 21 -3.553 -6.159 -14.574 1.00 2.33 H new ATOM 0 HE2 LYS A 21 -1.054 -6.783 -15.505 1.00 74.40 H new ATOM 0 HE3 LYS A 21 -0.846 -7.134 -13.801 1.00 74.40 H new ATOM 0 HZ1 LYS A 21 -1.617 -9.071 -15.008 1.00 13.40 H new ATOM 0 HZ2 LYS A 21 -2.796 -8.578 -13.889 1.00 13.40 H new ATOM 0 HZ3 LYS A 21 -2.998 -8.237 -15.540 1.00 13.40 H new ATOM 273 N ALA A 22 -4.989 -1.006 -15.940 1.00 24.10 N ATOM 274 CA ALA A 22 -5.951 -0.355 -16.820 1.00 64.20 C ATOM 275 C ALA A 22 -5.708 1.149 -16.890 1.00 71.20 C ATOM 276 O ALA A 22 -6.637 1.928 -17.100 1.00 33.20 O ATOM 277 CB ALA A 22 -7.370 -0.640 -16.350 1.00 20.10 C ATOM 0 H ALA A 22 -5.230 -0.963 -14.950 1.00 24.10 H new ATOM 0 HA ALA A 22 -5.820 -0.762 -17.823 1.00 64.20 H new ATOM 0 HB1 ALA A 22 -8.079 -0.148 -17.016 1.00 20.10 H new ATOM 0 HB2 ALA A 22 -7.548 -1.715 -16.361 1.00 20.10 H new ATOM 0 HB3 ALA A 22 -7.501 -0.261 -15.336 1.00 20.10 H new ATOM 283 N LYS A 23 -4.453 1.551 -16.710 1.00 61.30 N ATOM 284 CA LYS A 23 -4.088 2.963 -16.750 1.00 10.20 C ATOM 285 C LYS A 23 -4.863 3.761 -15.710 1.00 2.33 C ATOM 286 O LYS A 23 -5.739 4.558 -16.040 1.00 32.20 O ATOM 287 CB LYS A 23 -4.350 3.534 -18.150 1.00 13.00 C ATOM 288 CG LYS A 23 -3.676 2.751 -19.260 1.00 71.30 C ATOM 289 CD LYS A 23 -3.359 3.639 -20.460 1.00 25.10 C ATOM 290 CE LYS A 23 -3.585 2.910 -21.770 1.00 54.00 C ATOM 291 NZ LYS A 23 -2.316 2.370 -22.330 1.00 63.10 N ATOM 0 H LYS A 23 -3.672 0.919 -16.535 1.00 61.30 H new ATOM 0 HA LYS A 23 -3.026 3.045 -16.519 1.00 10.20 H new ATOM 0 HB2 LYS A 23 -5.425 3.553 -18.331 1.00 13.00 H new ATOM 0 HB3 LYS A 23 -4.003 4.567 -18.183 1.00 13.00 H new ATOM 0 HG2 LYS A 23 -2.756 2.304 -18.884 1.00 71.30 H new ATOM 0 HG3 LYS A 23 -4.323 1.932 -19.573 1.00 71.30 H new ATOM 0 HD2 LYS A 23 -3.983 4.532 -20.428 1.00 25.10 H new ATOM 0 HD3 LYS A 23 -2.323 3.973 -20.403 1.00 25.10 H new ATOM 0 HE2 LYS A 23 -4.290 2.093 -21.614 1.00 54.00 H new ATOM 0 HE3 LYS A 23 -4.039 3.590 -22.490 1.00 54.00 H new ATOM 0 HZ1 LYS A 23 -2.513 1.879 -23.225 1.00 63.10 H new ATOM 0 HZ2 LYS A 23 -1.652 3.152 -22.503 1.00 63.10 H new ATOM 0 HZ3 LYS A 23 -1.895 1.701 -21.654 1.00 63.10 H new ATOM 305 N ASN A 24 -4.532 3.542 -14.440 1.00 31.40 N ATOM 306 CA ASN A 24 -5.194 4.242 -13.350 1.00 51.20 C ATOM 307 C ASN A 24 -4.267 4.364 -12.140 1.00 60.20 C ATOM 308 O ASN A 24 -4.437 3.668 -11.140 1.00 50.30 O ATOM 309 CB ASN A 24 -6.480 3.512 -12.950 1.00 72.20 C ATOM 310 CG ASN A 24 -7.719 4.173 -13.520 1.00 40.30 C ATOM 311 OD1 ASN A 24 -7.643 4.933 -14.490 1.00 61.50 O ATOM 312 ND2 ASN A 24 -8.871 3.886 -12.920 1.00 11.30 N ATOM 0 H ASN A 24 -3.810 2.886 -14.144 1.00 31.40 H new ATOM 0 HA ASN A 24 -5.447 5.244 -13.696 1.00 51.20 H new ATOM 0 HB2 ASN A 24 -6.431 2.479 -13.295 1.00 72.20 H new ATOM 0 HB3 ASN A 24 -6.555 3.482 -11.863 1.00 72.20 H new ATOM 0 HD21 ASN A 24 -9.739 4.300 -13.259 1.00 11.30 H new ATOM 0 HD22 ASN A 24 -8.886 3.252 -12.121 1.00 11.30 H new ATOM 319 N TYR A 25 -3.285 5.254 -12.240 1.00 51.30 N ATOM 320 CA TYR A 25 -2.330 5.468 -11.160 1.00 23.40 C ATOM 321 C TYR A 25 -3.004 6.126 -9.967 1.00 24.40 C ATOM 322 O TYR A 25 -2.622 5.890 -8.821 1.00 74.30 O ATOM 323 CB TYR A 25 -1.166 6.334 -11.650 1.00 71.10 C ATOM 324 CG TYR A 25 -0.572 5.871 -12.960 1.00 65.10 C ATOM 325 CD1 TYR A 25 -0.291 4.529 -13.180 1.00 13.30 C ATOM 326 CD2 TYR A 25 -0.294 6.777 -13.970 1.00 13.00 C ATOM 327 CE1 TYR A 25 0.252 4.102 -14.380 1.00 25.10 C ATOM 328 CE2 TYR A 25 0.249 6.358 -15.180 1.00 73.10 C ATOM 329 CZ TYR A 25 0.520 5.020 -15.370 1.00 55.20 C ATOM 330 OH TYR A 25 1.060 4.599 -16.560 1.00 53.30 O ATOM 0 H TYR A 25 -3.130 5.840 -13.060 1.00 51.30 H new ATOM 0 HA TYR A 25 -1.944 4.498 -10.846 1.00 23.40 H new ATOM 0 HB2 TYR A 25 -1.512 7.362 -11.761 1.00 71.10 H new ATOM 0 HB3 TYR A 25 -0.385 6.341 -10.890 1.00 71.10 H new ATOM 0 HD1 TYR A 25 -0.499 3.808 -12.404 1.00 13.30 H new ATOM 0 HD2 TYR A 25 -0.502 7.825 -13.816 1.00 13.00 H new ATOM 0 HE1 TYR A 25 0.464 3.055 -14.538 1.00 25.10 H new ATOM 0 HE2 TYR A 25 0.456 7.073 -15.962 1.00 73.10 H new ATOM 0 HH TYR A 25 1.187 5.369 -17.152 1.00 53.30 H new ATOM 340 N GLU A 26 -4.008 6.953 -10.230 1.00 62.30 N ATOM 341 CA GLU A 26 -4.735 7.646 -9.182 1.00 32.10 C ATOM 342 C GLU A 26 -5.630 6.679 -8.414 1.00 4.43 C ATOM 343 O GLU A 26 -5.773 6.783 -7.196 1.00 10.20 O ATOM 344 CB GLU A 26 -5.576 8.780 -9.771 1.00 74.30 C ATOM 345 CG GLU A 26 -5.661 10.003 -8.874 1.00 41.40 C ATOM 346 CD GLU A 26 -6.808 10.922 -9.248 1.00 34.20 C ATOM 347 OE1 GLU A 26 -7.944 10.424 -9.395 1.00 21.10 O ATOM 348 OE2 GLU A 26 -6.570 12.139 -9.394 1.00 11.20 O ATOM 0 H GLU A 26 -4.338 7.160 -11.173 1.00 62.30 H new ATOM 0 HA GLU A 26 -4.007 8.070 -8.491 1.00 32.10 H new ATOM 0 HB2 GLU A 26 -5.153 9.073 -10.732 1.00 74.30 H new ATOM 0 HB3 GLU A 26 -6.583 8.411 -9.965 1.00 74.30 H new ATOM 0 HG2 GLU A 26 -5.780 9.682 -7.839 1.00 41.40 H new ATOM 0 HG3 GLU A 26 -4.724 10.556 -8.931 1.00 41.40 H new ATOM 355 N GLU A 27 -6.231 5.738 -9.135 1.00 11.30 N ATOM 356 CA GLU A 27 -7.113 4.752 -8.522 1.00 11.20 C ATOM 357 C GLU A 27 -6.312 3.594 -7.934 1.00 20.50 C ATOM 358 O GLU A 27 -6.721 2.979 -6.950 1.00 23.20 O ATOM 359 CB GLU A 27 -8.115 4.223 -9.550 1.00 13.10 C ATOM 360 CG GLU A 27 -9.381 3.655 -8.930 1.00 4.53 C ATOM 361 CD GLU A 27 -10.360 3.160 -9.969 1.00 33.10 C ATOM 362 OE1 GLU A 27 -10.900 3.998 -10.720 1.00 53.40 O ATOM 363 OE2 GLU A 27 -10.600 1.935 -10.020 1.00 62.00 O ATOM 0 H GLU A 27 -6.123 5.638 -10.144 1.00 11.30 H new ATOM 0 HA GLU A 27 -7.656 5.242 -7.714 1.00 11.20 H new ATOM 0 HB2 GLU A 27 -8.385 5.030 -10.231 1.00 13.10 H new ATOM 0 HB3 GLU A 27 -7.634 3.449 -10.148 1.00 13.10 H new ATOM 0 HG2 GLU A 27 -9.119 2.835 -8.262 1.00 4.53 H new ATOM 0 HG3 GLU A 27 -9.859 4.422 -8.320 1.00 4.53 H new ATOM 370 N ALA A 28 -5.167 3.302 -8.545 1.00 13.20 N ATOM 371 CA ALA A 28 -4.309 2.219 -8.082 1.00 43.10 C ATOM 372 C ALA A 28 -3.601 2.594 -6.785 1.00 13.30 C ATOM 373 O ALA A 28 -3.518 1.791 -5.856 1.00 72.10 O ATOM 374 CB ALA A 28 -3.293 1.856 -9.154 1.00 10.40 C ATOM 0 H ALA A 28 -4.813 3.801 -9.361 1.00 13.20 H new ATOM 0 HA ALA A 28 -4.938 1.351 -7.883 1.00 43.10 H new ATOM 0 HB1 ALA A 28 -2.659 1.046 -8.795 1.00 10.40 H new ATOM 0 HB2 ALA A 28 -3.814 1.536 -10.056 1.00 10.40 H new ATOM 0 HB3 ALA A 28 -2.677 2.726 -9.381 1.00 10.40 H new ATOM 380 N LEU A 29 -3.090 3.820 -6.729 1.00 43.40 N ATOM 381 CA LEU A 29 -2.387 4.303 -5.545 1.00 20.30 C ATOM 382 C LEU A 29 -3.297 4.271 -4.321 1.00 34.30 C ATOM 383 O LEU A 29 -2.952 3.686 -3.294 1.00 62.40 O ATOM 384 CB LEU A 29 -1.872 5.725 -5.777 1.00 44.10 C ATOM 385 CG LEU A 29 -0.658 6.121 -4.935 1.00 64.30 C ATOM 386 CD1 LEU A 29 -0.290 7.576 -5.182 1.00 54.40 C ATOM 387 CD2 LEU A 29 -0.932 5.883 -3.458 1.00 72.10 C ATOM 0 H LEU A 29 -3.149 4.497 -7.489 1.00 43.40 H new ATOM 0 HA LEU A 29 -1.539 3.643 -5.361 1.00 20.30 H new ATOM 0 HB2 LEU A 29 -1.615 5.834 -6.831 1.00 44.10 H new ATOM 0 HB3 LEU A 29 -2.681 6.426 -5.572 1.00 44.10 H new ATOM 0 HG LEU A 29 0.185 5.498 -5.232 1.00 64.30 H new ATOM 0 HD11 LEU A 29 0.576 7.840 -4.575 1.00 54.40 H new ATOM 0 HD12 LEU A 29 -0.051 7.717 -6.236 1.00 54.40 H new ATOM 0 HD13 LEU A 29 -1.131 8.215 -4.912 1.00 54.40 H new ATOM 0 HD21 LEU A 29 -0.057 6.170 -2.875 1.00 72.10 H new ATOM 0 HD22 LEU A 29 -1.789 6.481 -3.146 1.00 72.10 H new ATOM 0 HD23 LEU A 29 -1.147 4.827 -3.293 1.00 72.10 H new ATOM 399 N ARG A 30 -4.459 4.907 -4.436 1.00 50.30 N ATOM 400 CA ARG A 30 -5.418 4.952 -3.338 1.00 44.30 C ATOM 401 C ARG A 30 -5.827 3.546 -2.911 1.00 31.00 C ATOM 402 O ARG A 30 -6.033 3.282 -1.726 1.00 33.40 O ATOM 403 CB ARG A 30 -6.655 5.755 -3.746 1.00 71.30 C ATOM 404 CG ARG A 30 -7.300 5.267 -5.033 1.00 43.00 C ATOM 405 CD ARG A 30 -8.413 4.270 -4.755 1.00 13.40 C ATOM 406 NE ARG A 30 -9.537 4.433 -5.674 1.00 54.20 N ATOM 407 CZ ARG A 30 -10.460 5.384 -5.554 1.00 62.10 C ATOM 408 NH1 ARG A 30 -10.390 6.257 -4.556 1.00 54.40 N ATOM 409 NH2 ARG A 30 -11.450 5.461 -6.434 1.00 1.12 N ATOM 0 H ARG A 30 -4.759 5.398 -5.278 1.00 50.30 H new ATOM 0 HA ARG A 30 -4.938 5.442 -2.491 1.00 44.30 H new ATOM 0 HB2 ARG A 30 -7.389 5.709 -2.942 1.00 71.30 H new ATOM 0 HB3 ARG A 30 -6.376 6.802 -3.864 1.00 71.30 H new ATOM 0 HG2 ARG A 30 -7.701 6.117 -5.585 1.00 43.00 H new ATOM 0 HG3 ARG A 30 -6.544 4.803 -5.667 1.00 43.00 H new ATOM 0 HD2 ARG A 30 -8.021 3.256 -4.838 1.00 13.40 H new ATOM 0 HD3 ARG A 30 -8.762 4.393 -3.730 1.00 13.40 H new ATOM 0 HE ARG A 30 -9.619 3.780 -6.453 1.00 54.20 H new ATOM 0 HH11 ARG A 30 -9.628 6.199 -3.880 1.00 54.40 H new ATOM 0 HH12 ARG A 30 -11.098 6.986 -4.465 1.00 54.40 H new ATOM 0 HH21 ARG A 30 -11.503 4.792 -7.202 1.00 1.12 H new ATOM 0 HH22 ARG A 30 -12.158 6.190 -6.343 1.00 1.12 H new ATOM 423 N LEU A 31 -5.943 2.647 -3.883 1.00 4.12 N ATOM 424 CA LEU A 31 -6.327 1.268 -3.605 1.00 12.40 C ATOM 425 C LEU A 31 -5.155 0.484 -3.022 1.00 74.20 C ATOM 426 O LEU A 31 -5.344 -0.429 -2.219 1.00 53.40 O ATOM 427 CB LEU A 31 -6.827 0.589 -4.883 1.00 40.20 C ATOM 428 CG LEU A 31 -8.349 0.534 -5.033 1.00 23.50 C ATOM 429 CD1 LEU A 31 -8.737 0.435 -6.500 1.00 60.40 C ATOM 430 CD2 LEU A 31 -8.918 -0.638 -4.248 1.00 4.53 C ATOM 0 H LEU A 31 -5.777 2.848 -4.869 1.00 4.12 H new ATOM 0 HA LEU A 31 -7.132 1.281 -2.870 1.00 12.40 H new ATOM 0 HB2 LEU A 31 -6.411 1.115 -5.742 1.00 40.20 H new ATOM 0 HB3 LEU A 31 -6.437 -0.428 -4.912 1.00 40.20 H new ATOM 0 HG LEU A 31 -8.770 1.455 -4.629 1.00 23.50 H new ATOM 0 HD11 LEU A 31 -9.823 0.397 -6.587 1.00 60.40 H new ATOM 0 HD12 LEU A 31 -8.360 1.306 -7.036 1.00 60.40 H new ATOM 0 HD13 LEU A 31 -8.306 -0.469 -6.930 1.00 60.40 H new ATOM 0 HD21 LEU A 31 -10.001 -0.663 -4.365 1.00 4.53 H new ATOM 0 HD22 LEU A 31 -8.491 -1.568 -4.623 1.00 4.53 H new ATOM 0 HD23 LEU A 31 -8.670 -0.524 -3.193 1.00 4.53 H new ATOM 442 N TYR A 32 -3.944 0.847 -3.432 1.00 70.30 N ATOM 443 CA TYR A 32 -2.741 0.179 -2.950 1.00 72.20 C ATOM 444 C TYR A 32 -2.486 0.506 -1.482 1.00 63.30 C ATOM 445 O TYR A 32 -2.239 -0.386 -0.671 1.00 12.30 O ATOM 446 CB TYR A 32 -1.532 0.588 -3.793 1.00 32.40 C ATOM 447 CG TYR A 32 -1.358 -0.239 -5.046 1.00 63.30 C ATOM 448 CD1 TYR A 32 -1.342 -1.627 -4.989 1.00 53.10 C ATOM 449 CD2 TYR A 32 -1.211 0.368 -6.287 1.00 44.20 C ATOM 450 CE1 TYR A 32 -1.184 -2.387 -6.132 1.00 73.40 C ATOM 451 CE2 TYR A 32 -1.052 -0.385 -7.435 1.00 75.20 C ATOM 452 CZ TYR A 32 -1.039 -1.762 -7.352 1.00 43.00 C ATOM 453 OH TYR A 32 -0.881 -2.515 -8.493 1.00 34.50 O ATOM 0 H TYR A 32 -3.770 1.600 -4.097 1.00 70.30 H new ATOM 0 HA TYR A 32 -2.893 -0.896 -3.042 1.00 72.20 H new ATOM 0 HB2 TYR A 32 -1.632 1.637 -4.072 1.00 32.40 H new ATOM 0 HB3 TYR A 32 -0.631 0.505 -3.185 1.00 32.40 H new ATOM 0 HD1 TYR A 32 -1.455 -2.120 -4.035 1.00 53.10 H new ATOM 0 HD2 TYR A 32 -1.221 1.446 -6.356 1.00 44.20 H new ATOM 0 HE1 TYR A 32 -1.174 -3.465 -6.070 1.00 73.40 H new ATOM 0 HE2 TYR A 32 -0.939 0.102 -8.392 1.00 75.20 H new ATOM 0 HH TYR A 32 -0.793 -1.921 -9.267 1.00 34.50 H new ATOM 463 N GLN A 33 -2.548 1.791 -1.149 1.00 53.00 N ATOM 464 CA GLN A 33 -2.324 2.237 0.222 1.00 11.40 C ATOM 465 C GLN A 33 -3.332 1.601 1.174 1.00 62.10 C ATOM 466 O GLN A 33 -2.967 1.114 2.244 1.00 13.40 O ATOM 467 CB GLN A 33 -2.419 3.762 0.306 1.00 53.20 C ATOM 468 CG GLN A 33 -1.238 4.481 -0.325 1.00 24.00 C ATOM 469 CD GLN A 33 -1.344 5.989 -0.209 1.00 54.30 C ATOM 470 OE1 GLN A 33 -0.562 6.625 0.498 1.00 12.50 O ATOM 471 NE2 GLN A 33 -2.315 6.569 -0.904 1.00 4.41 N ATOM 0 H GLN A 33 -2.751 2.542 -1.809 1.00 53.00 H new ATOM 0 HA GLN A 33 -1.323 1.924 0.520 1.00 11.40 H new ATOM 0 HB2 GLN A 33 -3.336 4.088 -0.184 1.00 53.20 H new ATOM 0 HB3 GLN A 33 -2.495 4.056 1.353 1.00 53.20 H new ATOM 0 HG2 GLN A 33 -0.317 4.147 0.153 1.00 24.00 H new ATOM 0 HG3 GLN A 33 -1.169 4.205 -1.377 1.00 24.00 H new ATOM 0 HE21 GLN A 33 -2.940 6.003 -1.477 1.00 4.41 H new ATOM 0 HE22 GLN A 33 -2.436 7.581 -0.865 1.00 4.41 H new ATOM 480 N HIS A 34 -4.600 1.608 0.777 1.00 62.20 N ATOM 481 CA HIS A 34 -5.660 1.031 1.595 1.00 32.00 C ATOM 482 C HIS A 34 -5.416 -0.456 1.834 1.00 33.50 C ATOM 483 O HIS A 34 -5.682 -0.972 2.919 1.00 24.20 O ATOM 484 CB HIS A 34 -7.019 1.234 0.924 1.00 1.53 C ATOM 485 CG HIS A 34 -8.143 1.425 1.894 1.00 71.00 C ATOM 486 ND1 HIS A 34 -9.356 1.981 1.543 1.00 33.30 N ATOM 487 CD2 HIS A 34 -8.235 1.130 3.213 1.00 71.30 C ATOM 488 CE1 HIS A 34 -10.140 2.020 2.603 1.00 61.10 C ATOM 489 NE2 HIS A 34 -9.488 1.510 3.628 1.00 0.15 N ATOM 0 H HIS A 34 -4.918 2.007 -0.106 1.00 62.20 H new ATOM 0 HA HIS A 34 -5.658 1.541 2.558 1.00 32.00 H new ATOM 0 HB2 HIS A 34 -6.965 2.103 0.268 1.00 1.53 H new ATOM 0 HB3 HIS A 34 -7.236 0.372 0.294 1.00 1.53 H new ATOM 0 HD2 HIS A 34 -7.467 0.680 3.824 1.00 71.30 H new ATOM 0 HE1 HIS A 34 -11.148 2.406 2.627 1.00 61.10 H new ATOM 0 HE2 HIS A 34 -9.854 1.413 4.575 1.00 0.15 H new ATOM 498 N ALA A 35 -4.907 -1.138 0.813 1.00 0.04 N ATOM 499 CA ALA A 35 -4.627 -2.566 0.912 1.00 35.40 C ATOM 500 C ALA A 35 -3.505 -2.837 1.909 1.00 30.00 C ATOM 501 O ALA A 35 -3.684 -3.582 2.873 1.00 14.30 O ATOM 502 CB ALA A 35 -4.269 -3.128 -0.455 1.00 15.10 C ATOM 0 H ALA A 35 -4.680 -0.725 -0.092 1.00 0.04 H new ATOM 0 HA ALA A 35 -5.526 -3.065 1.273 1.00 35.40 H new ATOM 0 HB1 ALA A 35 -4.062 -4.195 -0.367 1.00 15.10 H new ATOM 0 HB2 ALA A 35 -5.102 -2.975 -1.141 1.00 15.10 H new ATOM 0 HB3 ALA A 35 -3.385 -2.618 -0.838 1.00 15.10 H new ATOM 508 N VAL A 36 -2.348 -2.229 1.669 1.00 22.10 N ATOM 509 CA VAL A 36 -1.196 -2.406 2.546 1.00 2.13 C ATOM 510 C VAL A 36 -1.513 -1.953 3.967 1.00 15.20 C ATOM 511 O VAL A 36 -0.998 -2.511 4.936 1.00 5.44 O ATOM 512 CB VAL A 36 0.027 -1.624 2.032 1.00 41.40 C ATOM 513 CG1 VAL A 36 1.265 -1.976 2.841 1.00 12.30 C ATOM 514 CG2 VAL A 36 0.252 -1.898 0.552 1.00 43.10 C ATOM 0 H VAL A 36 -2.183 -1.610 0.875 1.00 22.10 H new ATOM 0 HA VAL A 36 -0.962 -3.471 2.550 1.00 2.13 H new ATOM 0 HB VAL A 36 -0.168 -0.559 2.155 1.00 41.40 H new ATOM 0 HG11 VAL A 36 2.119 -1.414 2.463 1.00 12.30 H new ATOM 0 HG12 VAL A 36 1.099 -1.724 3.888 1.00 12.30 H new ATOM 0 HG13 VAL A 36 1.466 -3.044 2.753 1.00 12.30 H new ATOM 0 HG21 VAL A 36 1.120 -1.337 0.206 1.00 43.10 H new ATOM 0 HG22 VAL A 36 0.425 -2.964 0.401 1.00 43.10 H new ATOM 0 HG23 VAL A 36 -0.628 -1.590 -0.013 1.00 43.10 H new ATOM 524 N GLU A 37 -2.363 -0.939 4.085 1.00 40.30 N ATOM 525 CA GLU A 37 -2.749 -0.412 5.389 1.00 52.30 C ATOM 526 C GLU A 37 -3.421 -1.489 6.234 1.00 55.30 C ATOM 527 O GLU A 37 -3.113 -1.646 7.416 1.00 51.30 O ATOM 528 CB GLU A 37 -3.690 0.783 5.221 1.00 1.04 C ATOM 529 CG GLU A 37 -2.968 2.118 5.130 1.00 41.20 C ATOM 530 CD GLU A 37 -3.900 3.298 5.319 1.00 51.10 C ATOM 531 OE1 GLU A 37 -4.907 3.150 6.044 1.00 55.10 O ATOM 532 OE2 GLU A 37 -3.624 4.371 4.742 1.00 64.30 O ATOM 0 H GLU A 37 -2.798 -0.465 3.293 1.00 40.30 H new ATOM 0 HA GLU A 37 -1.845 -0.084 5.903 1.00 52.30 H new ATOM 0 HB2 GLU A 37 -4.288 0.640 4.321 1.00 1.04 H new ATOM 0 HB3 GLU A 37 -4.383 0.811 6.062 1.00 1.04 H new ATOM 0 HG2 GLU A 37 -2.183 2.155 5.886 1.00 41.20 H new ATOM 0 HG3 GLU A 37 -2.479 2.197 4.159 1.00 41.20 H new ATOM 539 N TYR A 38 -4.339 -2.228 5.621 1.00 43.30 N ATOM 540 CA TYR A 38 -5.054 -3.291 6.317 1.00 55.30 C ATOM 541 C TYR A 38 -4.120 -4.451 6.646 1.00 73.50 C ATOM 542 O TYR A 38 -4.295 -5.136 7.654 1.00 74.00 O ATOM 543 CB TYR A 38 -6.225 -3.788 5.467 1.00 71.20 C ATOM 544 CG TYR A 38 -7.530 -3.086 5.763 1.00 30.00 C ATOM 545 CD1 TYR A 38 -8.287 -3.426 6.877 1.00 12.00 C ATOM 546 CD2 TYR A 38 -8.006 -2.082 4.928 1.00 22.20 C ATOM 547 CE1 TYR A 38 -9.481 -2.786 7.151 1.00 34.00 C ATOM 548 CE2 TYR A 38 -9.199 -1.438 5.195 1.00 11.10 C ATOM 549 CZ TYR A 38 -9.932 -1.793 6.307 1.00 32.10 C ATOM 550 OH TYR A 38 -11.120 -1.154 6.577 1.00 4.52 O ATOM 0 H TYR A 38 -4.605 -2.110 4.643 1.00 43.30 H new ATOM 0 HA TYR A 38 -5.440 -2.884 7.251 1.00 55.30 H new ATOM 0 HB2 TYR A 38 -5.981 -3.653 4.413 1.00 71.20 H new ATOM 0 HB3 TYR A 38 -6.353 -4.858 5.630 1.00 71.20 H new ATOM 0 HD1 TYR A 38 -7.937 -4.203 7.540 1.00 12.00 H new ATOM 0 HD2 TYR A 38 -7.434 -1.801 4.056 1.00 22.20 H new ATOM 0 HE1 TYR A 38 -10.058 -3.062 8.021 1.00 34.00 H new ATOM 0 HE2 TYR A 38 -9.555 -0.660 4.536 1.00 11.10 H new ATOM 0 HH TYR A 38 -11.293 -0.480 5.887 1.00 4.52 H new ATOM 560 N PHE A 39 -3.127 -4.665 5.790 1.00 71.30 N ATOM 561 CA PHE A 39 -2.164 -5.742 5.989 1.00 3.41 C ATOM 562 C PHE A 39 -1.282 -5.466 7.202 1.00 3.52 C ATOM 563 O PHE A 39 -1.002 -6.364 7.996 1.00 2.43 O ATOM 564 CB PHE A 39 -1.296 -5.917 4.742 1.00 12.40 C ATOM 565 CG PHE A 39 -1.852 -6.905 3.757 1.00 22.40 C ATOM 566 CD1 PHE A 39 -2.326 -8.136 4.183 1.00 73.20 C ATOM 567 CD2 PHE A 39 -1.901 -6.604 2.405 1.00 33.10 C ATOM 568 CE1 PHE A 39 -2.838 -9.047 3.280 1.00 23.30 C ATOM 569 CE2 PHE A 39 -2.411 -7.512 1.497 1.00 4.14 C ATOM 570 CZ PHE A 39 -2.881 -8.735 1.935 1.00 21.20 C ATOM 0 H PHE A 39 -2.968 -4.107 4.951 1.00 71.30 H new ATOM 0 HA PHE A 39 -2.719 -6.663 6.168 1.00 3.41 H new ATOM 0 HB2 PHE A 39 -1.182 -4.951 4.250 1.00 12.40 H new ATOM 0 HB3 PHE A 39 -0.300 -6.240 5.045 1.00 12.40 H new ATOM 0 HD1 PHE A 39 -2.295 -8.386 5.233 1.00 73.20 H new ATOM 0 HD2 PHE A 39 -1.536 -5.649 2.057 1.00 33.10 H new ATOM 0 HE1 PHE A 39 -3.204 -10.003 3.625 1.00 23.30 H new ATOM 0 HE2 PHE A 39 -2.442 -7.266 0.446 1.00 4.14 H new ATOM 0 HZ PHE A 39 -3.281 -9.446 1.227 1.00 21.20 H new ATOM 580 N LEU A 40 -0.847 -4.217 7.339 1.00 53.10 N ATOM 581 CA LEU A 40 0.004 -3.822 8.455 1.00 13.50 C ATOM 582 C LEU A 40 -0.699 -4.062 9.787 1.00 45.30 C ATOM 583 O LEU A 40 -0.122 -4.635 10.711 1.00 25.50 O ATOM 584 CB LEU A 40 0.394 -2.348 8.329 1.00 42.10 C ATOM 585 CG LEU A 40 1.277 -2.012 7.126 1.00 65.40 C ATOM 586 CD1 LEU A 40 1.376 -0.506 6.941 1.00 61.40 C ATOM 587 CD2 LEU A 40 2.660 -2.623 7.294 1.00 30.50 C ATOM 0 H LEU A 40 -1.070 -3.462 6.691 1.00 53.10 H new ATOM 0 HA LEU A 40 0.906 -4.433 8.426 1.00 13.50 H new ATOM 0 HB2 LEU A 40 -0.516 -1.751 8.270 1.00 42.10 H new ATOM 0 HB3 LEU A 40 0.915 -2.047 9.238 1.00 42.10 H new ATOM 0 HG LEU A 40 0.820 -2.437 6.233 1.00 65.40 H new ATOM 0 HD11 LEU A 40 2.008 -0.286 6.081 1.00 61.40 H new ATOM 0 HD12 LEU A 40 0.381 -0.094 6.775 1.00 61.40 H new ATOM 0 HD13 LEU A 40 1.810 -0.057 7.834 1.00 61.40 H new ATOM 0 HD21 LEU A 40 3.275 -2.374 6.429 1.00 30.50 H new ATOM 0 HD22 LEU A 40 3.126 -2.227 8.197 1.00 30.50 H new ATOM 0 HD23 LEU A 40 2.572 -3.706 7.377 1.00 30.50 H new ATOM 599 N HIS A 41 -1.949 -3.620 9.878 1.00 51.10 N ATOM 600 CA HIS A 41 -2.732 -3.786 11.097 1.00 34.10 C ATOM 601 C HIS A 41 -2.958 -5.264 11.401 1.00 50.00 C ATOM 602 O HIS A 41 -3.058 -5.661 12.562 1.00 34.10 O ATOM 603 CB HIS A 41 -4.076 -3.069 10.967 1.00 3.21 C ATOM 604 CG HIS A 41 -3.971 -1.578 11.062 1.00 44.30 C ATOM 605 ND1 HIS A 41 -2.917 -0.863 10.532 1.00 3.03 N ATOM 606 CD2 HIS A 41 -4.795 -0.665 11.629 1.00 52.30 C ATOM 607 CE1 HIS A 41 -3.098 0.424 10.770 1.00 44.30 C ATOM 608 NE2 HIS A 41 -4.230 0.570 11.433 1.00 55.30 N ATOM 0 H HIS A 41 -2.441 -3.144 9.122 1.00 51.10 H new ATOM 0 HA HIS A 41 -2.172 -3.345 11.922 1.00 34.10 H new ATOM 0 HB2 HIS A 41 -4.528 -3.333 10.011 1.00 3.21 H new ATOM 0 HB3 HIS A 41 -4.747 -3.428 11.747 1.00 3.21 H new ATOM 0 HD2 HIS A 41 -5.724 -0.871 12.140 1.00 52.30 H new ATOM 0 HE1 HIS A 41 -2.433 1.221 10.473 1.00 44.30 H new ATOM 0 HE2 HIS A 41 -4.621 1.457 11.749 1.00 55.30 H new ATOM 617 N ALA A 42 -3.039 -6.073 10.350 1.00 12.40 N ATOM 618 CA ALA A 42 -3.253 -7.507 10.505 1.00 44.40 C ATOM 619 C ALA A 42 -2.036 -8.180 11.130 1.00 23.20 C ATOM 620 O ALA A 42 -2.167 -9.145 11.883 1.00 72.10 O ATOM 621 CB ALA A 42 -3.576 -8.140 9.159 1.00 70.30 C ATOM 0 H ALA A 42 -2.960 -5.760 9.382 1.00 12.40 H new ATOM 0 HA ALA A 42 -4.100 -7.653 11.176 1.00 44.40 H new ATOM 0 HB1 ALA A 42 -3.733 -9.211 9.289 1.00 70.30 H new ATOM 0 HB2 ALA A 42 -4.480 -7.687 8.751 1.00 70.30 H new ATOM 0 HB3 ALA A 42 -2.746 -7.976 8.471 1.00 70.30 H new ATOM 627 N ILE A 43 -0.853 -7.665 10.813 1.00 54.10 N ATOM 628 CA ILE A 43 0.387 -8.216 11.344 1.00 52.10 C ATOM 629 C ILE A 43 0.546 -7.883 12.824 1.00 40.10 C ATOM 630 O ILE A 43 0.761 -8.769 13.651 1.00 44.30 O ATOM 631 CB ILE A 43 1.614 -7.687 10.575 1.00 41.30 C ATOM 632 CG1 ILE A 43 1.418 -7.868 9.068 1.00 44.40 C ATOM 633 CG2 ILE A 43 2.878 -8.397 11.038 1.00 2.23 C ATOM 634 CD1 ILE A 43 1.946 -6.711 8.248 1.00 52.50 C ATOM 0 H ILE A 43 -0.727 -6.867 10.191 1.00 54.10 H new ATOM 0 HA ILE A 43 0.330 -9.298 11.221 1.00 52.10 H new ATOM 0 HB ILE A 43 1.721 -6.622 10.783 1.00 41.30 H new ATOM 0 HG12 ILE A 43 1.917 -8.784 8.752 1.00 44.40 H new ATOM 0 HG13 ILE A 43 0.356 -7.995 8.860 1.00 44.40 H new ATOM 0 HG21 ILE A 43 3.735 -8.012 10.485 1.00 2.23 H new ATOM 0 HG22 ILE A 43 3.025 -8.221 12.104 1.00 2.23 H new ATOM 0 HG23 ILE A 43 2.781 -9.468 10.857 1.00 2.23 H new ATOM 0 HD11 ILE A 43 1.774 -6.907 7.190 1.00 52.50 H new ATOM 0 HD12 ILE A 43 1.430 -5.795 8.536 1.00 52.50 H new ATOM 0 HD13 ILE A 43 3.015 -6.597 8.426 1.00 52.50 H new ATOM 646 N LYS A 44 0.439 -6.599 13.151 1.00 43.40 N ATOM 647 CA LYS A 44 0.571 -6.149 14.532 1.00 30.00 C ATOM 648 C LYS A 44 -0.488 -6.795 15.419 1.00 11.30 C ATOM 649 O LYS A 44 -0.257 -7.036 16.604 1.00 62.10 O ATOM 650 CB LYS A 44 0.456 -4.625 14.607 1.00 0.55 C ATOM 651 CG LYS A 44 -0.752 -4.070 13.869 1.00 54.30 C ATOM 652 CD LYS A 44 -1.157 -2.708 14.409 1.00 65.30 C ATOM 653 CE LYS A 44 -0.547 -1.581 13.591 1.00 13.50 C ATOM 654 NZ LYS A 44 -0.383 -0.338 14.395 1.00 40.50 N ATOM 0 H LYS A 44 0.261 -5.852 12.479 1.00 43.40 H new ATOM 0 HA LYS A 44 1.554 -6.451 14.893 1.00 30.00 H new ATOM 0 HB2 LYS A 44 0.402 -4.324 15.653 1.00 0.55 H new ATOM 0 HB3 LYS A 44 1.361 -4.180 14.193 1.00 0.55 H new ATOM 0 HG2 LYS A 44 -0.524 -3.988 12.806 1.00 54.30 H new ATOM 0 HG3 LYS A 44 -1.588 -4.763 13.964 1.00 54.30 H new ATOM 0 HD2 LYS A 44 -2.243 -2.620 14.399 1.00 65.30 H new ATOM 0 HD3 LYS A 44 -0.840 -2.618 15.448 1.00 65.30 H new ATOM 0 HE2 LYS A 44 0.423 -1.895 13.206 1.00 13.50 H new ATOM 0 HE3 LYS A 44 -1.180 -1.375 12.728 1.00 13.50 H new ATOM 0 HZ1 LYS A 44 0.036 0.406 13.802 1.00 40.50 H new ATOM 0 HZ2 LYS A 44 -1.312 -0.023 14.741 1.00 40.50 H new ATOM 0 HZ3 LYS A 44 0.242 -0.528 15.204 1.00 40.50 H new ATOM 668 N TYR A 45 -1.650 -7.073 14.838 1.00 34.10 N ATOM 669 CA TYR A 45 -2.746 -7.691 15.576 1.00 25.30 C ATOM 670 C TYR A 45 -2.526 -9.194 15.718 1.00 51.30 C ATOM 671 O TYR A 45 -2.605 -9.741 16.817 1.00 74.40 O ATOM 672 CB TYR A 45 -4.077 -7.423 14.873 1.00 41.20 C ATOM 673 CG TYR A 45 -4.771 -6.166 15.347 1.00 71.20 C ATOM 674 CD1 TYR A 45 -4.057 -4.994 15.559 1.00 75.10 C ATOM 675 CD2 TYR A 45 -6.140 -6.153 15.583 1.00 22.30 C ATOM 676 CE1 TYR A 45 -4.688 -3.843 15.993 1.00 53.30 C ATOM 677 CE2 TYR A 45 -6.778 -5.006 16.016 1.00 64.20 C ATOM 678 CZ TYR A 45 -6.048 -3.854 16.220 1.00 72.00 C ATOM 679 OH TYR A 45 -6.679 -2.710 16.652 1.00 41.00 O ATOM 0 H TYR A 45 -1.857 -6.880 13.858 1.00 34.10 H new ATOM 0 HA TYR A 45 -2.775 -7.250 16.572 1.00 25.30 H new ATOM 0 HB2 TYR A 45 -3.903 -7.349 13.800 1.00 41.20 H new ATOM 0 HB3 TYR A 45 -4.739 -8.275 15.030 1.00 41.20 H new ATOM 0 HD1 TYR A 45 -2.992 -4.981 15.382 1.00 75.10 H new ATOM 0 HD2 TYR A 45 -6.715 -7.054 15.426 1.00 22.30 H new ATOM 0 HE1 TYR A 45 -4.118 -2.940 16.153 1.00 53.30 H new ATOM 0 HE2 TYR A 45 -7.843 -5.012 16.194 1.00 64.20 H new ATOM 0 HH TYR A 45 -7.637 -2.886 16.763 1.00 41.00 H new ATOM 689 N GLU A 46 -2.249 -9.855 14.599 1.00 24.30 N ATOM 690 CA GLU A 46 -2.017 -11.290 14.598 1.00 2.42 C ATOM 691 C GLU A 46 -0.910 -11.660 13.618 1.00 1.32 C ATOM 692 O GLU A 46 -0.610 -10.910 12.690 1.00 64.00 O ATOM 693 CB GLU A 46 -3.304 -12.030 14.239 1.00 20.20 C ATOM 694 CG GLU A 46 -4.356 -11.990 15.335 1.00 12.20 C ATOM 695 CD GLU A 46 -5.757 -11.800 14.791 1.00 33.40 C ATOM 696 OE1 GLU A 46 -6.336 -12.780 14.273 1.00 61.10 O ATOM 697 OE2 GLU A 46 -6.276 -10.670 14.884 1.00 34.40 O ATOM 0 H GLU A 46 -2.180 -9.416 13.681 1.00 24.30 H new ATOM 0 HA GLU A 46 -1.702 -11.586 15.599 1.00 2.42 H new ATOM 0 HB2 GLU A 46 -3.721 -11.596 13.331 1.00 20.20 H new ATOM 0 HB3 GLU A 46 -3.065 -13.069 14.015 1.00 20.20 H new ATOM 0 HG2 GLU A 46 -4.315 -12.917 15.907 1.00 12.20 H new ATOM 0 HG3 GLU A 46 -4.125 -11.179 16.026 1.00 12.20 H new ATOM 704 N ALA A 47 -0.305 -12.830 13.831 1.00 32.50 N ATOM 705 CA ALA A 47 0.769 -13.300 12.966 1.00 54.30 C ATOM 706 C ALA A 47 1.207 -14.710 13.354 1.00 20.50 C ATOM 707 O ALA A 47 1.471 -14.990 14.523 1.00 3.41 O ATOM 708 CB ALA A 47 1.951 -12.340 13.023 1.00 41.40 C ATOM 0 H ALA A 47 -0.542 -13.465 14.593 1.00 32.50 H new ATOM 0 HA ALA A 47 0.393 -13.333 11.943 1.00 54.30 H new ATOM 0 HB1 ALA A 47 2.746 -12.703 12.372 1.00 41.40 H new ATOM 0 HB2 ALA A 47 1.633 -11.352 12.691 1.00 41.40 H new ATOM 0 HB3 ALA A 47 2.320 -12.278 14.047 1.00 41.40 H new ATOM 714 N HIS A 48 1.281 -15.590 12.365 1.00 43.10 N ATOM 715 CA HIS A 48 1.687 -16.970 12.602 1.00 70.00 C ATOM 716 C HIS A 48 3.095 -17.030 13.186 1.00 73.20 C ATOM 717 O HIS A 48 3.274 -17.290 14.376 1.00 42.40 O ATOM 718 CB HIS A 48 1.627 -17.770 11.301 1.00 32.40 C ATOM 719 CG HIS A 48 0.305 -18.440 11.068 1.00 13.50 C ATOM 720 ND1 HIS A 48 0.050 -19.750 11.406 1.00 71.20 N ATOM 721 CD2 HIS A 48 -0.842 -17.960 10.526 1.00 42.20 C ATOM 722 CE1 HIS A 48 -1.194 -20.050 11.082 1.00 42.50 C ATOM 723 NE2 HIS A 48 -1.757 -18.990 10.548 1.00 64.00 N ATOM 0 H HIS A 48 1.066 -15.374 11.392 1.00 43.10 H new ATOM 0 HA HIS A 48 0.996 -17.408 13.322 1.00 70.00 H new ATOM 0 HB2 HIS A 48 1.840 -17.104 10.465 1.00 32.40 H new ATOM 0 HB3 HIS A 48 2.411 -18.527 11.313 1.00 32.40 H new ATOM 0 HD2 HIS A 48 -1.007 -16.961 10.149 1.00 42.20 H new ATOM 0 HE1 HIS A 48 -1.670 -21.008 11.231 1.00 42.50 H new ATOM 0 HE2 HIS A 48 -2.716 -18.938 10.205 1.00 64.00 H new ATOM 732 N SER A 49 4.091 -16.790 12.340 1.00 12.40 N ATOM 733 CA SER A 49 5.484 -16.820 12.772 1.00 51.00 C ATOM 734 C SER A 49 6.312 -15.790 12.003 1.00 0.13 C ATOM 735 O SER A 49 5.771 -14.980 11.258 1.00 45.20 O ATOM 736 CB SER A 49 6.072 -18.220 12.579 1.00 72.10 C ATOM 737 OG SER A 49 7.174 -18.430 13.444 1.00 20.10 O ATOM 0 H SER A 49 3.960 -16.573 11.352 1.00 12.40 H new ATOM 0 HA SER A 49 5.518 -16.568 13.832 1.00 51.00 H new ATOM 0 HB2 SER A 49 5.305 -18.970 12.772 1.00 72.10 H new ATOM 0 HB3 SER A 49 6.388 -18.346 11.544 1.00 72.10 H new ATOM 0 HG SER A 49 7.532 -19.331 13.304 1.00 20.10 H new ATOM 743 N ASP A 50 7.627 -15.840 12.189 1.00 74.40 N ATOM 744 CA ASP A 50 8.530 -14.920 11.512 1.00 65.40 C ATOM 745 C ASP A 50 8.500 -15.140 10.002 1.00 73.10 C ATOM 746 O ASP A 50 8.544 -14.180 9.227 1.00 33.40 O ATOM 747 CB ASP A 50 9.957 -15.100 12.035 1.00 1.41 C ATOM 748 CG ASP A 50 10.086 -14.720 13.498 1.00 4.13 C ATOM 749 OD1 ASP A 50 10.162 -13.500 13.792 1.00 11.40 O ATOM 750 OD2 ASP A 50 10.112 -15.630 14.348 1.00 1.42 O ATOM 0 H ASP A 50 8.090 -16.509 12.804 1.00 74.40 H new ATOM 0 HA ASP A 50 8.197 -13.903 11.720 1.00 65.40 H new ATOM 0 HB2 ASP A 50 10.262 -16.138 11.903 1.00 1.41 H new ATOM 0 HB3 ASP A 50 10.639 -14.490 11.442 1.00 1.41 H new ATOM 755 N LYS A 51 8.426 -16.400 9.593 1.00 72.50 N ATOM 756 CA LYS A 51 8.390 -16.740 8.176 1.00 65.10 C ATOM 757 C LYS A 51 7.174 -16.120 7.496 1.00 51.10 C ATOM 758 O LYS A 51 7.300 -15.440 6.477 1.00 34.00 O ATOM 759 CB LYS A 51 8.367 -18.260 7.998 1.00 20.40 C ATOM 760 CG LYS A 51 8.423 -18.710 6.545 1.00 33.30 C ATOM 761 CD LYS A 51 9.854 -18.770 6.037 1.00 75.30 C ATOM 762 CE LYS A 51 9.903 -18.890 4.523 1.00 0.15 C ATOM 763 NZ LYS A 51 8.997 -19.950 4.018 1.00 22.20 N ATOM 0 H LYS A 51 8.390 -17.203 10.221 1.00 72.50 H new ATOM 0 HA LYS A 51 9.288 -16.337 7.709 1.00 65.10 H new ATOM 0 HB2 LYS A 51 9.211 -18.692 8.535 1.00 20.40 H new ATOM 0 HB3 LYS A 51 7.461 -18.656 8.457 1.00 20.40 H new ATOM 0 HG2 LYS A 51 7.960 -19.692 6.449 1.00 33.30 H new ATOM 0 HG3 LYS A 51 7.845 -18.023 5.927 1.00 33.30 H new ATOM 0 HD2 LYS A 51 10.390 -17.874 6.350 1.00 75.30 H new ATOM 0 HD3 LYS A 51 10.366 -19.621 6.487 1.00 75.30 H new ATOM 0 HE2 LYS A 51 9.628 -17.935 4.075 1.00 0.15 H new ATOM 0 HE3 LYS A 51 10.924 -19.107 4.210 1.00 0.15 H new ATOM 0 HZ1 LYS A 51 9.240 -20.174 3.032 1.00 22.20 H new ATOM 0 HZ2 LYS A 51 9.101 -20.804 4.603 1.00 22.20 H new ATOM 0 HZ3 LYS A 51 8.013 -19.617 4.065 1.00 22.20 H new ATOM 777 N ALA A 52 5.998 -16.360 8.068 1.00 72.30 N ATOM 778 CA ALA A 52 4.759 -15.820 7.517 1.00 70.20 C ATOM 779 C ALA A 52 4.771 -14.300 7.525 1.00 73.20 C ATOM 780 O ALA A 52 4.365 -13.660 6.554 1.00 34.30 O ATOM 781 CB ALA A 52 3.564 -16.350 8.299 1.00 11.00 C ATOM 0 H ALA A 52 5.877 -16.923 8.910 1.00 72.30 H new ATOM 0 HA ALA A 52 4.675 -16.146 6.480 1.00 70.20 H new ATOM 0 HB1 ALA A 52 2.645 -15.941 7.880 1.00 11.00 H new ATOM 0 HB2 ALA A 52 3.540 -17.438 8.234 1.00 11.00 H new ATOM 0 HB3 ALA A 52 3.651 -16.051 9.344 1.00 11.00 H new ATOM 787 N LYS A 53 5.238 -13.720 8.627 1.00 65.00 N ATOM 788 CA LYS A 53 5.303 -12.270 8.761 1.00 0.14 C ATOM 789 C LYS A 53 6.192 -11.660 7.681 1.00 45.20 C ATOM 790 O LYS A 53 5.964 -10.540 7.235 1.00 4.22 O ATOM 791 CB LYS A 53 5.829 -11.890 10.146 1.00 63.20 C ATOM 792 CG LYS A 53 4.782 -11.990 11.243 1.00 42.40 C ATOM 793 CD LYS A 53 5.068 -11.010 12.376 1.00 0.15 C ATOM 794 CE LYS A 53 5.989 -11.630 13.418 1.00 45.10 C ATOM 795 NZ LYS A 53 5.309 -12.700 14.199 1.00 22.30 N ATOM 0 H LYS A 53 5.577 -14.234 9.440 1.00 65.00 H new ATOM 0 HA LYS A 53 4.295 -11.874 8.640 1.00 0.14 H new ATOM 0 HB2 LYS A 53 6.669 -12.538 10.397 1.00 63.20 H new ATOM 0 HB3 LYS A 53 6.212 -10.870 10.113 1.00 63.20 H new ATOM 0 HG2 LYS A 53 3.795 -11.788 10.826 1.00 42.40 H new ATOM 0 HG3 LYS A 53 4.760 -13.007 11.636 1.00 42.40 H new ATOM 0 HD2 LYS A 53 5.526 -10.107 11.973 1.00 0.15 H new ATOM 0 HD3 LYS A 53 4.132 -10.710 12.846 1.00 0.15 H new ATOM 0 HE2 LYS A 53 6.868 -12.045 12.924 1.00 45.10 H new ATOM 0 HE3 LYS A 53 6.342 -10.854 14.097 1.00 45.10 H new ATOM 0 HZ1 LYS A 53 5.124 -12.361 15.165 1.00 22.30 H new ATOM 0 HZ2 LYS A 53 4.409 -12.946 13.740 1.00 22.30 H new ATOM 0 HZ3 LYS A 53 5.919 -13.542 14.238 1.00 22.30 H new ATOM 809 N GLU A 54 7.206 -12.410 7.264 1.00 51.30 N ATOM 810 CA GLU A 54 8.130 -11.950 6.236 1.00 72.40 C ATOM 811 C GLU A 54 7.460 -11.940 4.866 1.00 34.30 C ATOM 812 O GLU A 54 7.618 -11.000 4.091 1.00 51.30 O ATOM 813 CB GLU A 54 9.377 -12.830 6.203 1.00 21.20 C ATOM 814 CG GLU A 54 10.655 -12.070 5.892 1.00 74.00 C ATOM 815 CD GLU A 54 11.095 -12.240 4.451 1.00 15.10 C ATOM 816 OE1 GLU A 54 10.220 -12.430 3.581 1.00 21.20 O ATOM 817 OE2 GLU A 54 12.315 -12.170 4.192 1.00 63.00 O ATOM 0 H GLU A 54 7.409 -13.343 7.624 1.00 51.30 H new ATOM 0 HA GLU A 54 8.426 -10.930 6.483 1.00 72.40 H new ATOM 0 HB2 GLU A 54 9.486 -13.326 7.167 1.00 21.20 H new ATOM 0 HB3 GLU A 54 9.239 -13.612 5.456 1.00 21.20 H new ATOM 0 HG2 GLU A 54 10.504 -11.011 6.100 1.00 74.00 H new ATOM 0 HG3 GLU A 54 11.449 -12.415 6.554 1.00 74.00 H new ATOM 824 N SER A 55 6.712 -13.000 4.573 1.00 25.00 N ATOM 825 CA SER A 55 6.018 -13.120 3.296 1.00 73.40 C ATOM 826 C SER A 55 5.027 -11.970 3.109 1.00 45.30 C ATOM 827 O SER A 55 4.980 -11.350 2.050 1.00 0.53 O ATOM 828 CB SER A 55 5.288 -14.460 3.209 1.00 52.30 C ATOM 829 OG SER A 55 4.084 -14.430 3.956 1.00 34.20 O ATOM 0 H SER A 55 6.571 -13.789 5.204 1.00 25.00 H new ATOM 0 HA SER A 55 6.761 -13.071 2.500 1.00 73.40 H new ATOM 0 HB2 SER A 55 5.068 -14.692 2.167 1.00 52.30 H new ATOM 0 HB3 SER A 55 5.933 -15.255 3.583 1.00 52.30 H new ATOM 0 HG SER A 55 4.289 -14.271 4.901 1.00 34.20 H new ATOM 835 N ILE A 56 4.238 -11.700 4.144 1.00 31.10 N ATOM 836 CA ILE A 56 3.249 -10.640 4.094 1.00 52.10 C ATOM 837 C ILE A 56 3.921 -9.271 4.078 1.00 45.10 C ATOM 838 O ILE A 56 3.465 -8.352 3.398 1.00 54.30 O ATOM 839 CB ILE A 56 2.281 -10.710 5.291 1.00 55.20 C ATOM 840 CG1 ILE A 56 1.714 -12.120 5.434 1.00 60.20 C ATOM 841 CG2 ILE A 56 1.158 -9.698 5.127 1.00 65.30 C ATOM 842 CD1 ILE A 56 0.759 -12.270 6.598 1.00 33.30 C ATOM 0 H ILE A 56 4.268 -12.206 5.029 1.00 31.10 H new ATOM 0 HA ILE A 56 2.681 -10.780 3.174 1.00 52.10 H new ATOM 0 HB ILE A 56 2.834 -10.466 6.198 1.00 55.20 H new ATOM 0 HG12 ILE A 56 1.198 -12.391 4.513 1.00 60.20 H new ATOM 0 HG13 ILE A 56 2.537 -12.824 5.556 1.00 60.20 H new ATOM 0 HG21 ILE A 56 0.484 -9.761 5.981 1.00 65.30 H new ATOM 0 HG22 ILE A 56 1.578 -8.694 5.070 1.00 65.30 H new ATOM 0 HG23 ILE A 56 0.606 -9.912 4.212 1.00 65.30 H new ATOM 0 HD11 ILE A 56 0.395 -13.296 6.640 1.00 33.30 H new ATOM 0 HD12 ILE A 56 1.277 -12.031 7.527 1.00 33.30 H new ATOM 0 HD13 ILE A 56 -0.084 -11.591 6.467 1.00 33.30 H new ATOM 854 N ARG A 57 5.009 -9.143 4.831 1.00 31.30 N ATOM 855 CA ARG A 57 5.745 -7.887 4.903 1.00 45.20 C ATOM 856 C ARG A 57 6.446 -7.591 3.581 1.00 62.50 C ATOM 857 O ARG A 57 6.364 -6.480 3.059 1.00 2.24 O ATOM 858 CB ARG A 57 6.769 -7.935 6.038 1.00 0.31 C ATOM 859 CG ARG A 57 7.559 -6.647 6.201 1.00 22.20 C ATOM 860 CD ARG A 57 8.987 -6.922 6.641 1.00 44.20 C ATOM 861 NE ARG A 57 9.892 -7.073 5.504 1.00 52.40 N ATOM 862 CZ ARG A 57 11.211 -7.207 5.619 1.00 1.30 C ATOM 863 NH1 ARG A 57 11.783 -7.209 6.817 1.00 2.45 N ATOM 864 NH2 ARG A 57 11.961 -7.340 4.533 1.00 2.43 N ATOM 0 H ARG A 57 5.400 -9.894 5.400 1.00 31.30 H new ATOM 0 HA ARG A 57 5.031 -7.088 5.102 1.00 45.20 H new ATOM 0 HB2 ARG A 57 6.253 -8.155 6.972 1.00 0.31 H new ATOM 0 HB3 ARG A 57 7.462 -8.756 5.856 1.00 0.31 H new ATOM 0 HG2 ARG A 57 7.567 -6.102 5.257 1.00 22.20 H new ATOM 0 HG3 ARG A 57 7.068 -6.008 6.935 1.00 22.20 H new ATOM 0 HD2 ARG A 57 9.334 -6.106 7.275 1.00 44.20 H new ATOM 0 HD3 ARG A 57 9.011 -7.828 7.246 1.00 44.20 H new ATOM 0 HE ARG A 57 9.489 -7.076 4.567 1.00 52.40 H new ATOM 0 HH11 ARG A 57 11.211 -7.108 7.655 1.00 2.45 H new ATOM 0 HH12 ARG A 57 12.794 -7.312 6.899 1.00 2.45 H new ATOM 0 HH21 ARG A 57 11.527 -7.340 3.610 1.00 2.43 H new ATOM 0 HH22 ARG A 57 12.972 -7.443 4.621 1.00 2.43 H new ATOM 878 N ALA A 58 7.134 -8.595 3.044 1.00 1.32 N ATOM 879 CA ALA A 58 7.848 -8.442 1.782 1.00 75.20 C ATOM 880 C ALA A 58 6.910 -7.968 0.677 1.00 2.03 C ATOM 881 O ALA A 58 7.297 -7.180 -0.185 1.00 74.10 O ATOM 882 CB ALA A 58 8.510 -9.754 1.388 1.00 44.20 C ATOM 0 H ALA A 58 7.212 -9.522 3.463 1.00 1.32 H new ATOM 0 HA ALA A 58 8.620 -7.685 1.918 1.00 75.20 H new ATOM 0 HB1 ALA A 58 9.039 -9.625 0.444 1.00 44.20 H new ATOM 0 HB2 ALA A 58 9.217 -10.052 2.163 1.00 44.20 H new ATOM 0 HB3 ALA A 58 7.749 -10.526 1.275 1.00 44.20 H new ATOM 888 N LYS A 59 5.673 -8.452 0.714 1.00 65.00 N ATOM 889 CA LYS A 59 4.676 -8.075 -0.280 1.00 72.00 C ATOM 890 C LYS A 59 4.215 -6.638 -0.065 1.00 2.54 C ATOM 891 O LYS A 59 3.857 -5.941 -1.016 1.00 12.10 O ATOM 892 CB LYS A 59 3.476 -9.023 -0.215 1.00 33.30 C ATOM 893 CG LYS A 59 3.740 -10.380 -0.844 1.00 72.40 C ATOM 894 CD LYS A 59 2.445 -11.120 -1.134 1.00 21.30 C ATOM 895 CE LYS A 59 2.688 -12.600 -1.339 1.00 53.40 C ATOM 896 NZ LYS A 59 1.644 -13.220 -2.202 1.00 63.10 N ATOM 0 H LYS A 59 5.337 -9.106 1.421 1.00 65.00 H new ATOM 0 HA LYS A 59 5.134 -8.149 -1.266 1.00 72.00 H new ATOM 0 HB2 LYS A 59 3.191 -9.164 0.828 1.00 33.30 H new ATOM 0 HB3 LYS A 59 2.628 -8.558 -0.717 1.00 33.30 H new ATOM 0 HG2 LYS A 59 4.301 -10.250 -1.769 1.00 72.40 H new ATOM 0 HG3 LYS A 59 4.360 -10.978 -0.176 1.00 72.40 H new ATOM 0 HD2 LYS A 59 1.749 -10.975 -0.308 1.00 21.30 H new ATOM 0 HD3 LYS A 59 1.976 -10.700 -2.024 1.00 21.30 H new ATOM 0 HE2 LYS A 59 3.668 -12.748 -1.792 1.00 53.40 H new ATOM 0 HE3 LYS A 59 2.705 -13.103 -0.372 1.00 53.40 H new ATOM 0 HZ1 LYS A 59 1.846 -14.234 -2.318 1.00 63.10 H new ATOM 0 HZ2 LYS A 59 0.711 -13.102 -1.758 1.00 63.10 H new ATOM 0 HZ3 LYS A 59 1.645 -12.758 -3.134 1.00 63.10 H new ATOM 910 N CYS A 60 4.227 -6.198 1.190 1.00 11.10 N ATOM 911 CA CYS A 60 3.812 -4.842 1.528 1.00 41.50 C ATOM 912 C CYS A 60 4.882 -3.831 1.127 1.00 64.30 C ATOM 913 O CYS A 60 4.571 -2.733 0.668 1.00 24.40 O ATOM 914 CB CYS A 60 3.526 -4.732 3.027 1.00 13.10 C ATOM 915 SG CYS A 60 2.141 -5.748 3.590 1.00 23.20 S ATOM 0 H CYS A 60 4.520 -6.761 1.989 1.00 11.10 H new ATOM 0 HA CYS A 60 2.900 -4.619 0.974 1.00 41.50 H new ATOM 0 HB2 CYS A 60 4.421 -5.019 3.579 1.00 13.10 H new ATOM 0 HB3 CYS A 60 3.321 -3.690 3.271 1.00 13.10 H new ATOM 0 HG CYS A 60 2.545 -6.970 3.773 1.00 23.20 H new ATOM 921 N VAL A 61 6.143 -4.212 1.304 1.00 10.40 N ATOM 922 CA VAL A 61 7.259 -3.339 0.960 1.00 74.10 C ATOM 923 C VAL A 61 7.266 -3.020 -0.531 1.00 12.10 C ATOM 924 O VAL A 61 7.447 -1.870 -0.929 1.00 64.50 O ATOM 925 CB VAL A 61 8.609 -3.974 1.344 1.00 13.30 C ATOM 926 CG1 VAL A 61 9.741 -2.975 1.161 1.00 3.22 C ATOM 927 CG2 VAL A 61 8.568 -4.492 2.774 1.00 61.30 C ATOM 0 H VAL A 61 6.417 -5.118 1.683 1.00 10.40 H new ATOM 0 HA VAL A 61 7.126 -2.417 1.526 1.00 74.10 H new ATOM 0 HB VAL A 61 8.794 -4.820 0.682 1.00 13.30 H new ATOM 0 HG11 VAL A 61 10.686 -3.442 1.437 1.00 3.22 H new ATOM 0 HG12 VAL A 61 9.783 -2.660 0.118 1.00 3.22 H new ATOM 0 HG13 VAL A 61 9.566 -2.107 1.796 1.00 3.22 H new ATOM 0 HG21 VAL A 61 9.530 -4.937 3.027 1.00 61.30 H new ATOM 0 HG22 VAL A 61 8.360 -3.666 3.454 1.00 61.30 H new ATOM 0 HG23 VAL A 61 7.785 -5.244 2.866 1.00 61.30 H new ATOM 937 N GLN A 62 7.067 -4.047 -1.351 1.00 54.20 N ATOM 938 CA GLN A 62 7.050 -3.876 -2.799 1.00 51.50 C ATOM 939 C GLN A 62 5.800 -3.123 -3.242 1.00 11.40 C ATOM 940 O GLN A 62 5.843 -2.328 -4.182 1.00 30.20 O ATOM 941 CB GLN A 62 7.113 -5.237 -3.495 1.00 33.20 C ATOM 942 CG GLN A 62 7.830 -5.203 -4.834 1.00 62.10 C ATOM 943 CD GLN A 62 8.001 -6.583 -5.439 1.00 10.30 C ATOM 944 OE1 GLN A 62 7.629 -6.821 -6.587 1.00 60.50 O ATOM 945 NE2 GLN A 62 8.568 -7.501 -4.665 1.00 61.40 N ATOM 0 H GLN A 62 6.915 -5.006 -1.038 1.00 54.20 H new ATOM 0 HA GLN A 62 7.925 -3.291 -3.082 1.00 51.50 H new ATOM 0 HB2 GLN A 62 7.617 -5.948 -2.840 1.00 33.20 H new ATOM 0 HB3 GLN A 62 6.098 -5.606 -3.645 1.00 33.20 H new ATOM 0 HG2 GLN A 62 7.270 -4.574 -5.526 1.00 62.10 H new ATOM 0 HG3 GLN A 62 8.810 -4.743 -4.706 1.00 62.10 H new ATOM 0 HE21 GLN A 62 8.861 -7.259 -3.718 1.00 61.40 H new ATOM 0 HE22 GLN A 62 8.710 -8.448 -5.017 1.00 61.40 H new ATOM 954 N TYR A 63 4.688 -3.377 -2.560 1.00 4.34 N ATOM 955 CA TYR A 63 3.426 -2.723 -2.884 1.00 63.40 C ATOM 956 C TYR A 63 3.497 -1.229 -2.585 1.00 2.34 C ATOM 957 O TYR A 63 2.900 -0.416 -3.291 1.00 45.20 O ATOM 958 CB TYR A 63 2.280 -3.359 -2.095 1.00 22.40 C ATOM 959 CG TYR A 63 1.639 -4.533 -2.800 1.00 32.10 C ATOM 960 CD1 TYR A 63 1.318 -4.467 -4.150 1.00 74.30 C ATOM 961 CD2 TYR A 63 1.354 -5.708 -2.115 1.00 31.30 C ATOM 962 CE1 TYR A 63 0.731 -5.538 -4.797 1.00 12.20 C ATOM 963 CE2 TYR A 63 0.768 -6.783 -2.755 1.00 10.40 C ATOM 964 CZ TYR A 63 0.459 -6.693 -4.096 1.00 20.30 C ATOM 965 OH TYR A 63 -0.125 -7.761 -4.737 1.00 10.20 O ATOM 0 H TYR A 63 4.635 -4.031 -1.779 1.00 4.34 H new ATOM 0 HA TYR A 63 3.240 -2.854 -3.950 1.00 63.40 H new ATOM 0 HB2 TYR A 63 2.656 -3.688 -1.126 1.00 22.40 H new ATOM 0 HB3 TYR A 63 1.519 -2.603 -1.901 1.00 22.40 H new ATOM 0 HD1 TYR A 63 1.531 -3.564 -4.703 1.00 74.30 H new ATOM 0 HD2 TYR A 63 1.595 -5.782 -1.065 1.00 31.30 H new ATOM 0 HE1 TYR A 63 0.487 -5.470 -5.847 1.00 12.20 H new ATOM 0 HE2 TYR A 63 0.553 -7.689 -2.208 1.00 10.40 H new ATOM 0 HH TYR A 63 -0.248 -8.497 -4.101 1.00 10.20 H new ATOM 975 N LEU A 64 4.230 -0.875 -1.535 1.00 74.40 N ATOM 976 CA LEU A 64 4.379 0.522 -1.143 1.00 31.00 C ATOM 977 C LEU A 64 5.292 1.265 -2.113 1.00 20.40 C ATOM 978 O LEU A 64 5.125 2.463 -2.344 1.00 62.30 O ATOM 979 CB LEU A 64 4.939 0.618 0.278 1.00 21.10 C ATOM 980 CG LEU A 64 4.427 1.803 1.097 1.00 23.50 C ATOM 981 CD1 LEU A 64 4.658 3.108 0.351 1.00 45.40 C ATOM 982 CD2 LEU A 64 2.951 1.627 1.421 1.00 32.50 C ATOM 0 H LEU A 64 4.730 -1.536 -0.940 1.00 74.40 H new ATOM 0 HA LEU A 64 3.394 0.988 -1.170 1.00 31.00 H new ATOM 0 HB2 LEU A 64 4.698 -0.303 0.810 1.00 21.10 H new ATOM 0 HB3 LEU A 64 6.026 0.678 0.221 1.00 21.10 H new ATOM 0 HG LEU A 64 4.984 1.841 2.033 1.00 23.50 H new ATOM 0 HD11 LEU A 64 4.287 3.940 0.950 1.00 45.40 H new ATOM 0 HD12 LEU A 64 5.725 3.239 0.169 1.00 45.40 H new ATOM 0 HD13 LEU A 64 4.128 3.082 -0.601 1.00 45.40 H new ATOM 0 HD21 LEU A 64 2.602 2.479 2.004 1.00 32.50 H new ATOM 0 HD22 LEU A 64 2.380 1.564 0.495 1.00 32.50 H new ATOM 0 HD23 LEU A 64 2.811 0.712 1.997 1.00 32.50 H new ATOM 994 N ASP A 65 6.256 0.546 -2.679 1.00 1.31 N ATOM 995 CA ASP A 65 7.195 1.137 -3.625 1.00 11.00 C ATOM 996 C ASP A 65 6.470 1.639 -4.869 1.00 5.23 C ATOM 997 O ASP A 65 6.656 2.781 -5.290 1.00 30.20 O ATOM 998 CB ASP A 65 8.264 0.117 -4.019 1.00 52.20 C ATOM 999 CG ASP A 65 9.613 0.762 -4.273 1.00 11.10 C ATOM 1000 OD1 ASP A 65 10.218 1.271 -3.306 1.00 43.20 O ATOM 1001 OD2 ASP A 65 10.064 0.756 -5.437 1.00 42.30 O ATOM 0 H ASP A 65 6.407 -0.447 -2.499 1.00 1.31 H new ATOM 0 HA ASP A 65 7.676 1.986 -3.140 1.00 11.00 H new ATOM 0 HB2 ASP A 65 8.363 -0.626 -3.227 1.00 52.20 H new ATOM 0 HB3 ASP A 65 7.943 -0.413 -4.916 1.00 52.20 H new ATOM 1006 N ARG A 66 5.644 0.778 -5.454 1.00 31.40 N ATOM 1007 CA ARG A 66 4.891 1.135 -6.651 1.00 44.40 C ATOM 1008 C ARG A 66 3.891 2.247 -6.353 1.00 2.11 C ATOM 1009 O ARG A 66 3.622 3.098 -7.201 1.00 63.40 O ATOM 1010 CB ARG A 66 4.159 -0.090 -7.203 1.00 51.10 C ATOM 1011 CG ARG A 66 3.273 -0.782 -6.180 1.00 41.00 C ATOM 1012 CD ARG A 66 2.121 -1.517 -6.847 1.00 21.40 C ATOM 1013 NE ARG A 66 2.569 -2.323 -7.980 1.00 60.20 N ATOM 1014 CZ ARG A 66 3.199 -3.490 -7.857 1.00 44.10 C ATOM 1015 NH1 ARG A 66 3.456 -3.989 -6.655 1.00 43.10 N ATOM 1016 NH2 ARG A 66 3.571 -4.159 -8.940 1.00 44.30 N ATOM 0 H ARG A 66 5.479 -0.171 -5.119 1.00 31.40 H new ATOM 0 HA ARG A 66 5.597 1.496 -7.399 1.00 44.40 H new ATOM 0 HB2 ARG A 66 3.549 0.215 -8.053 1.00 51.10 H new ATOM 0 HB3 ARG A 66 4.893 -0.803 -7.577 1.00 51.10 H new ATOM 0 HG2 ARG A 66 3.868 -1.487 -5.599 1.00 41.00 H new ATOM 0 HG3 ARG A 66 2.879 -0.045 -5.480 1.00 41.00 H new ATOM 0 HD2 ARG A 66 1.630 -2.160 -6.117 1.00 21.40 H new ATOM 0 HD3 ARG A 66 1.378 -0.795 -7.187 1.00 21.40 H new ATOM 0 HE ARG A 66 2.389 -1.971 -8.920 1.00 60.20 H new ATOM 0 HH11 ARG A 66 3.171 -3.479 -5.819 1.00 43.10 H new ATOM 0 HH12 ARG A 66 3.939 -4.883 -6.567 1.00 43.10 H new ATOM 0 HH21 ARG A 66 3.375 -3.780 -9.866 1.00 44.30 H new ATOM 0 HH22 ARG A 66 4.054 -5.053 -8.847 1.00 44.30 H new ATOM 1030 N ALA A 67 3.343 2.235 -5.142 1.00 42.00 N ATOM 1031 CA ALA A 67 2.373 3.244 -4.732 1.00 52.10 C ATOM 1032 C ALA A 67 2.978 4.642 -4.790 1.00 73.30 C ATOM 1033 O ALA A 67 2.421 5.545 -5.415 1.00 11.50 O ATOM 1034 CB ALA A 67 1.863 2.946 -3.330 1.00 1.23 C ATOM 0 H ALA A 67 3.554 1.538 -4.428 1.00 42.00 H new ATOM 0 HA ALA A 67 1.534 3.210 -5.427 1.00 52.10 H new ATOM 0 HB1 ALA A 67 1.140 3.707 -3.037 1.00 1.23 H new ATOM 0 HB2 ALA A 67 1.385 1.967 -3.317 1.00 1.23 H new ATOM 0 HB3 ALA A 67 2.699 2.951 -2.630 1.00 1.23 H new ATOM 1040 N GLU A 68 4.122 4.814 -4.135 1.00 24.50 N ATOM 1041 CA GLU A 68 4.803 6.104 -4.113 1.00 54.20 C ATOM 1042 C GLU A 68 5.167 6.551 -5.525 1.00 14.00 C ATOM 1043 O GLU A 68 5.204 7.746 -5.819 1.00 64.20 O ATOM 1044 CB GLU A 68 6.064 6.024 -3.250 1.00 43.00 C ATOM 1045 CG GLU A 68 7.082 5.013 -3.752 1.00 52.20 C ATOM 1046 CD GLU A 68 8.480 5.288 -3.235 1.00 33.40 C ATOM 1047 OE1 GLU A 68 8.676 5.247 -2.002 1.00 73.40 O ATOM 1048 OE2 GLU A 68 9.379 5.545 -4.063 1.00 20.20 O ATOM 0 H GLU A 68 4.596 4.077 -3.613 1.00 24.50 H new ATOM 0 HA GLU A 68 4.122 6.839 -3.683 1.00 54.20 H new ATOM 0 HB2 GLU A 68 6.531 7.008 -3.211 1.00 43.00 H new ATOM 0 HB3 GLU A 68 5.780 5.765 -2.230 1.00 43.00 H new ATOM 0 HG2 GLU A 68 6.776 4.012 -3.447 1.00 52.20 H new ATOM 0 HG3 GLU A 68 7.093 5.024 -4.842 1.00 52.20 H new ATOM 1055 N LYS A 69 5.435 5.584 -6.397 1.00 4.11 N ATOM 1056 CA LYS A 69 5.795 5.878 -7.779 1.00 34.10 C ATOM 1057 C LYS A 69 4.603 6.447 -8.542 1.00 22.10 C ATOM 1058 O LYS A 69 4.745 7.388 -9.323 1.00 25.30 O ATOM 1059 CB LYS A 69 6.306 4.615 -8.475 1.00 14.10 C ATOM 1060 CG LYS A 69 6.954 4.884 -9.823 1.00 51.40 C ATOM 1061 CD LYS A 69 8.465 4.992 -9.703 1.00 1.31 C ATOM 1062 CE LYS A 69 9.092 5.501 -10.990 1.00 24.20 C ATOM 1063 NZ LYS A 69 9.287 6.977 -10.960 1.00 44.10 N ATOM 0 H LYS A 69 5.410 4.590 -6.171 1.00 4.11 H new ATOM 0 HA LYS A 69 6.588 6.625 -7.771 1.00 34.10 H new ATOM 0 HB2 LYS A 69 7.028 4.120 -7.826 1.00 14.10 H new ATOM 0 HB3 LYS A 69 5.474 3.924 -8.612 1.00 14.10 H new ATOM 0 HG2 LYS A 69 6.699 4.083 -10.517 1.00 51.40 H new ATOM 0 HG3 LYS A 69 6.554 5.807 -10.242 1.00 51.40 H new ATOM 0 HD2 LYS A 69 8.719 5.664 -8.883 1.00 1.31 H new ATOM 0 HD3 LYS A 69 8.882 4.016 -9.455 1.00 1.31 H new ATOM 0 HE2 LYS A 69 10.052 5.010 -11.146 1.00 24.20 H new ATOM 0 HE3 LYS A 69 8.457 5.235 -11.835 1.00 24.20 H new ATOM 0 HZ1 LYS A 69 9.717 7.289 -11.854 1.00 44.10 H new ATOM 0 HZ2 LYS A 69 8.367 7.446 -10.836 1.00 44.10 H new ATOM 0 HZ3 LYS A 69 9.913 7.228 -10.169 1.00 44.10 H new ATOM 1077 N LEU A 70 3.429 5.870 -8.309 1.00 72.40 N ATOM 1078 CA LEU A 70 2.211 6.320 -8.974 1.00 44.30 C ATOM 1079 C LEU A 70 1.865 7.748 -8.567 1.00 42.20 C ATOM 1080 O LEU A 70 1.289 8.505 -9.349 1.00 23.00 O ATOM 1081 CB LEU A 70 1.047 5.385 -8.640 1.00 32.30 C ATOM 1082 CG LEU A 70 1.177 3.965 -9.192 1.00 44.40 C ATOM 1083 CD1 LEU A 70 -0.066 3.151 -8.870 1.00 32.30 C ATOM 1084 CD2 LEU A 70 1.421 3.998 -10.690 1.00 54.10 C ATOM 0 H LEU A 70 3.295 5.090 -7.665 1.00 72.40 H new ATOM 0 HA LEU A 70 2.386 6.301 -10.050 1.00 44.30 H new ATOM 0 HB2 LEU A 70 0.946 5.329 -7.556 1.00 32.30 H new ATOM 0 HB3 LEU A 70 0.126 5.825 -9.024 1.00 32.30 H new ATOM 0 HG LEU A 70 2.032 3.487 -8.715 1.00 44.40 H new ATOM 0 HD11 LEU A 70 0.045 2.143 -9.271 1.00 32.30 H new ATOM 0 HD12 LEU A 70 -0.197 3.099 -7.789 1.00 32.30 H new ATOM 0 HD13 LEU A 70 -0.938 3.626 -9.319 1.00 32.30 H new ATOM 0 HD21 LEU A 70 1.511 2.979 -11.066 1.00 54.10 H new ATOM 0 HD22 LEU A 70 0.586 4.495 -11.184 1.00 54.10 H new ATOM 0 HD23 LEU A 70 2.342 4.544 -10.897 1.00 54.10 H new ATOM 1096 N LYS A 71 2.220 8.111 -7.339 1.00 71.50 N ATOM 1097 CA LYS A 71 1.946 9.449 -6.827 1.00 32.00 C ATOM 1098 C LYS A 71 2.815 10.487 -7.530 1.00 62.30 C ATOM 1099 O LYS A 71 2.355 11.585 -7.845 1.00 31.00 O ATOM 1100 CB LYS A 71 2.189 9.500 -5.318 1.00 75.00 C ATOM 1101 CG LYS A 71 1.191 10.368 -4.570 1.00 12.10 C ATOM 1102 CD LYS A 71 1.315 10.191 -3.066 1.00 54.40 C ATOM 1103 CE LYS A 71 0.659 11.338 -2.314 1.00 74.10 C ATOM 1104 NZ LYS A 71 -0.717 10.993 -1.865 1.00 32.20 N ATOM 0 H LYS A 71 2.698 7.497 -6.680 1.00 71.50 H new ATOM 0 HA LYS A 71 0.900 9.681 -7.027 1.00 32.00 H new ATOM 0 HB2 LYS A 71 2.149 8.487 -4.918 1.00 75.00 H new ATOM 0 HB3 LYS A 71 3.195 9.876 -5.133 1.00 75.00 H new ATOM 0 HG2 LYS A 71 1.352 11.415 -4.829 1.00 12.10 H new ATOM 0 HG3 LYS A 71 0.179 10.114 -4.885 1.00 12.10 H new ATOM 0 HD2 LYS A 71 0.853 9.249 -2.770 1.00 54.40 H new ATOM 0 HD3 LYS A 71 2.368 10.130 -2.791 1.00 54.40 H new ATOM 0 HE2 LYS A 71 1.268 11.600 -1.449 1.00 74.10 H new ATOM 0 HE3 LYS A 71 0.621 12.218 -2.956 1.00 74.10 H new ATOM 0 HZ1 LYS A 71 -1.302 11.852 -1.849 1.00 32.20 H new ATOM 0 HZ2 LYS A 71 -1.134 10.303 -2.522 1.00 32.20 H new ATOM 0 HZ3 LYS A 71 -0.678 10.582 -0.910 1.00 32.20 H new ATOM 1118 N ASP A 72 4.073 10.134 -7.771 1.00 55.10 N ATOM 1119 CA ASP A 72 5.007 11.036 -8.435 1.00 21.00 C ATOM 1120 C ASP A 72 4.587 11.287 -9.880 1.00 1.12 C ATOM 1121 O ASP A 72 4.828 12.362 -10.420 1.00 72.20 O ATOM 1122 CB ASP A 72 6.422 10.457 -8.396 1.00 31.00 C ATOM 1123 CG ASP A 72 7.479 11.528 -8.210 1.00 21.30 C ATOM 1124 OD1 ASP A 72 7.149 12.599 -7.659 1.00 64.30 O ATOM 1125 OD2 ASP A 72 8.638 11.295 -8.616 1.00 44.50 O ATOM 0 H ASP A 72 4.470 9.229 -7.516 1.00 55.10 H new ATOM 0 HA ASP A 72 4.996 11.987 -7.902 1.00 21.00 H new ATOM 0 HB2 ASP A 72 6.494 9.734 -7.583 1.00 31.00 H new ATOM 0 HB3 ASP A 72 6.616 9.916 -9.322 1.00 31.00 H new ATOM 1130 N TYR A 73 3.958 10.288 -10.490 1.00 0.03 N ATOM 1131 CA TYR A 73 3.506 10.402 -11.870 1.00 31.20 C ATOM 1132 C TYR A 73 2.419 11.464 -12.000 1.00 3.05 C ATOM 1133 O TYR A 73 2.547 12.404 -12.780 1.00 63.30 O ATOM 1134 CB TYR A 73 2.981 9.055 -12.370 1.00 72.50 C ATOM 1135 CG TYR A 73 2.582 9.063 -13.830 1.00 34.50 C ATOM 1136 CD1 TYR A 73 1.317 9.485 -14.220 1.00 11.00 C ATOM 1137 CD2 TYR A 73 3.469 8.650 -14.810 1.00 63.30 C ATOM 1138 CE1 TYR A 73 0.948 9.494 -15.550 1.00 71.50 C ATOM 1139 CE2 TYR A 73 3.108 8.656 -16.150 1.00 31.30 C ATOM 1140 CZ TYR A 73 1.847 9.079 -16.510 1.00 11.40 C ATOM 1141 OH TYR A 73 1.484 9.087 -17.840 1.00 53.40 O ATOM 0 H TYR A 73 3.750 9.391 -10.050 1.00 0.03 H new ATOM 0 HA TYR A 73 4.357 10.702 -12.481 1.00 31.20 H new ATOM 0 HB2 TYR A 73 3.748 8.296 -12.216 1.00 72.50 H new ATOM 0 HB3 TYR A 73 2.120 8.764 -11.768 1.00 72.50 H new ATOM 0 HD1 TYR A 73 0.611 9.811 -13.471 1.00 11.00 H new ATOM 0 HD2 TYR A 73 4.457 8.318 -14.527 1.00 63.30 H new ATOM 0 HE1 TYR A 73 -0.039 9.824 -15.837 1.00 71.50 H new ATOM 0 HE2 TYR A 73 3.810 8.332 -16.904 1.00 31.30 H new ATOM 0 HH TYR A 73 2.232 8.766 -18.385 1.00 53.40 H new ATOM 1151 N LEU A 74 1.349 11.308 -11.230 1.00 13.20 N ATOM 1152 CA LEU A 74 0.240 12.253 -11.250 1.00 73.40 C ATOM 1153 C LEU A 74 0.678 13.622 -10.740 1.00 13.50 C ATOM 1154 O LEU A 74 0.163 14.652 -11.180 1.00 32.20 O ATOM 1155 CB LEU A 74 -0.926 11.730 -10.410 1.00 50.00 C ATOM 1156 CG LEU A 74 -1.809 10.691 -11.110 1.00 65.20 C ATOM 1157 CD1 LEU A 74 -2.369 9.705 -10.090 1.00 62.40 C ATOM 1158 CD2 LEU A 74 -2.936 11.374 -11.870 1.00 41.20 C ATOM 0 H LEU A 74 1.226 10.531 -10.581 1.00 13.20 H new ATOM 0 HA LEU A 74 -0.089 12.360 -12.284 1.00 73.40 H new ATOM 0 HB2 LEU A 74 -0.528 11.290 -9.496 1.00 50.00 H new ATOM 0 HB3 LEU A 74 -1.549 12.574 -10.113 1.00 50.00 H new ATOM 0 HG LEU A 74 -1.200 10.141 -11.827 1.00 65.20 H new ATOM 0 HD11 LEU A 74 -2.995 8.972 -10.599 1.00 62.40 H new ATOM 0 HD12 LEU A 74 -1.547 9.195 -9.588 1.00 62.40 H new ATOM 0 HD13 LEU A 74 -2.966 10.243 -9.354 1.00 62.40 H new ATOM 0 HD21 LEU A 74 -3.553 10.621 -12.361 1.00 41.20 H new ATOM 0 HD22 LEU A 74 -3.549 11.948 -11.174 1.00 41.20 H new ATOM 0 HD23 LEU A 74 -2.515 12.044 -12.620 1.00 41.20 H new ATOM 1170 N ARG A 75 1.631 13.624 -9.821 1.00 52.20 N ATOM 1171 CA ARG A 75 2.138 14.866 -9.250 1.00 72.30 C ATOM 1172 C ARG A 75 3.106 15.551 -10.200 1.00 5.13 C ATOM 1173 O ARG A 75 3.202 16.778 -10.230 1.00 75.30 O ATOM 1174 CB ARG A 75 2.834 14.591 -7.915 1.00 3.42 C ATOM 1175 CG ARG A 75 1.870 14.372 -6.761 1.00 2.31 C ATOM 1176 CD ARG A 75 2.591 14.394 -5.422 1.00 23.40 C ATOM 1177 NE ARG A 75 3.206 15.692 -5.153 1.00 74.20 N ATOM 1178 CZ ARG A 75 3.977 15.942 -4.097 1.00 71.10 C ATOM 1179 NH1 ARG A 75 4.229 14.988 -3.210 1.00 60.20 N ATOM 1180 NH2 ARG A 75 4.496 17.150 -3.928 1.00 23.10 N ATOM 0 H ARG A 75 2.070 12.780 -9.453 1.00 52.20 H new ATOM 0 HA ARG A 75 1.289 15.529 -9.085 1.00 72.30 H new ATOM 0 HB2 ARG A 75 3.468 13.711 -8.020 1.00 3.42 H new ATOM 0 HB3 ARG A 75 3.489 15.429 -7.677 1.00 3.42 H new ATOM 0 HG2 ARG A 75 1.102 15.145 -6.775 1.00 2.31 H new ATOM 0 HG3 ARG A 75 1.362 13.416 -6.886 1.00 2.31 H new ATOM 0 HD2 ARG A 75 1.885 14.155 -4.626 1.00 23.40 H new ATOM 0 HD3 ARG A 75 3.358 13.620 -5.411 1.00 23.40 H new ATOM 0 HE ARG A 75 3.035 16.451 -5.813 1.00 74.20 H new ATOM 0 HH11 ARG A 75 3.831 14.057 -3.335 1.00 60.20 H new ATOM 0 HH12 ARG A 75 4.821 15.185 -2.403 1.00 60.20 H new ATOM 0 HH21 ARG A 75 4.304 17.887 -4.607 1.00 23.10 H new ATOM 0 HH22 ARG A 75 5.087 17.343 -3.119 1.00 23.10 H new ATOM 1195 N GLU B 115 10.174 -3.693 9.052 1.00 50.40 N ATOM 1196 CA GLU B 115 8.752 -3.371 9.043 1.00 24.00 C ATOM 1197 C GLU B 115 8.531 -1.878 9.264 1.00 42.10 C ATOM 1198 O GLU B 115 7.570 -1.301 8.755 1.00 22.30 O ATOM 1199 CB GLU B 115 8.020 -4.171 10.122 1.00 74.00 C ATOM 1200 CG GLU B 115 6.557 -4.427 9.803 1.00 45.20 C ATOM 1201 CD GLU B 115 5.627 -3.469 10.521 1.00 21.40 C ATOM 1202 OE1 GLU B 115 5.863 -3.197 11.717 1.00 11.10 O ATOM 1203 OE2 GLU B 115 4.664 -2.989 9.887 1.00 2.03 O ATOM 0 HA GLU B 115 8.350 -3.639 8.066 1.00 24.00 H new ATOM 0 HB2 GLU B 115 8.526 -5.127 10.260 1.00 74.00 H new ATOM 0 HB3 GLU B 115 8.088 -3.635 11.069 1.00 74.00 H new ATOM 0 HG2 GLU B 115 6.403 -4.340 8.728 1.00 45.20 H new ATOM 0 HG3 GLU B 115 6.302 -5.450 10.079 1.00 45.20 H new ATOM 1210 N ASP B 116 9.426 -1.258 10.025 1.00 1.12 N ATOM 1211 CA ASP B 116 9.329 0.168 10.313 1.00 32.30 C ATOM 1212 C ASP B 116 9.691 0.999 9.086 1.00 1.22 C ATOM 1213 O ASP B 116 9.198 2.113 8.912 1.00 52.20 O ATOM 1214 CB ASP B 116 10.246 0.537 11.481 1.00 62.40 C ATOM 1215 CG ASP B 116 11.661 0.028 11.288 1.00 4.14 C ATOM 1216 OD1 ASP B 116 12.400 0.623 10.475 1.00 12.10 O ATOM 1217 OD2 ASP B 116 12.031 -0.965 11.949 1.00 1.05 O ATOM 0 H ASP B 116 10.227 -1.721 10.454 1.00 1.12 H new ATOM 0 HA ASP B 116 8.297 0.388 10.586 1.00 32.30 H new ATOM 0 HB2 ASP B 116 10.265 1.621 11.596 1.00 62.40 H new ATOM 0 HB3 ASP B 116 9.838 0.126 12.404 1.00 62.40 H new ATOM 1222 N GLN B 117 10.555 0.450 8.238 1.00 0.41 N ATOM 1223 CA GLN B 117 10.983 1.142 7.027 1.00 21.30 C ATOM 1224 C GLN B 117 9.789 1.481 6.141 1.00 2.21 C ATOM 1225 O GLN B 117 9.526 2.649 5.856 1.00 74.10 O ATOM 1226 CB GLN B 117 11.982 0.282 6.249 1.00 2.21 C ATOM 1227 CG GLN B 117 13.078 1.087 5.571 1.00 3.03 C ATOM 1228 CD GLN B 117 13.738 0.330 4.435 1.00 42.10 C ATOM 1229 OE1 GLN B 117 13.089 -0.435 3.723 1.00 72.30 O ATOM 1230 NE2 GLN B 117 15.038 0.541 4.261 1.00 31.20 N ATOM 0 H GLN B 117 10.972 -0.472 8.367 1.00 0.41 H new ATOM 0 HA GLN B 117 11.467 2.072 7.323 1.00 21.30 H new ATOM 0 HB2 GLN B 117 12.438 -0.436 6.930 1.00 2.21 H new ATOM 0 HB3 GLN B 117 11.444 -0.292 5.494 1.00 2.21 H new ATOM 0 HG2 GLN B 117 12.657 2.016 5.187 1.00 3.03 H new ATOM 0 HG3 GLN B 117 13.833 1.359 6.308 1.00 3.03 H new ATOM 0 HE21 GLN B 117 15.537 1.184 4.875 1.00 31.20 H new ATOM 0 HE22 GLN B 117 15.537 0.060 3.513 1.00 31.20 H new ATOM 1239 N LEU B 118 9.068 0.451 5.707 1.00 35.10 N ATOM 1240 CA LEU B 118 7.901 0.641 4.853 1.00 12.20 C ATOM 1241 C LEU B 118 6.769 1.317 5.620 1.00 13.30 C ATOM 1242 O LEU B 118 5.959 2.041 5.040 1.00 23.10 O ATOM 1243 CB LEU B 118 7.426 -0.702 4.295 1.00 3.13 C ATOM 1244 CG LEU B 118 6.900 -1.688 5.340 1.00 21.40 C ATOM 1245 CD1 LEU B 118 5.767 -2.523 4.763 1.00 23.30 C ATOM 1246 CD2 LEU B 118 8.024 -2.584 5.839 1.00 33.20 C ATOM 0 H LEU B 118 9.272 -0.523 5.933 1.00 35.10 H new ATOM 0 HA LEU B 118 8.190 1.288 4.025 1.00 12.20 H new ATOM 0 HB2 LEU B 118 6.639 -0.517 3.564 1.00 3.13 H new ATOM 0 HB3 LEU B 118 8.253 -1.169 3.761 1.00 3.13 H new ATOM 0 HG LEU B 118 6.511 -1.120 6.185 1.00 21.40 H new ATOM 0 HD11 LEU B 118 5.405 -3.219 5.520 1.00 23.30 H new ATOM 0 HD12 LEU B 118 4.953 -1.868 4.454 1.00 23.30 H new ATOM 0 HD13 LEU B 118 6.130 -3.082 3.901 1.00 23.30 H new ATOM 0 HD21 LEU B 118 7.633 -3.279 6.582 1.00 33.20 H new ATOM 0 HD22 LEU B 118 8.442 -3.144 5.002 1.00 33.20 H new ATOM 0 HD23 LEU B 118 8.804 -1.971 6.291 1.00 33.20 H new ATOM 1258 N SER B 119 6.717 1.076 6.926 1.00 35.30 N ATOM 1259 CA SER B 119 5.683 1.662 7.771 1.00 15.50 C ATOM 1260 C SER B 119 5.781 3.184 7.774 1.00 0.23 C ATOM 1261 O SER B 119 4.768 3.881 7.717 1.00 34.30 O ATOM 1262 CB SER B 119 5.801 1.129 9.200 1.00 51.40 C ATOM 1263 OG SER B 119 4.703 1.547 9.993 1.00 15.30 O ATOM 0 H SER B 119 7.379 0.479 7.422 1.00 35.30 H new ATOM 0 HA SER B 119 4.712 1.379 7.364 1.00 15.50 H new ATOM 0 HB2 SER B 119 5.847 0.040 9.183 1.00 51.40 H new ATOM 0 HB3 SER B 119 6.731 1.480 9.647 1.00 51.40 H new ATOM 0 HG SER B 119 4.801 1.192 10.901 1.00 15.30 H new ATOM 1269 N ARG B 120 7.007 3.693 7.841 1.00 54.40 N ATOM 1270 CA ARG B 120 7.236 5.133 7.851 1.00 41.40 C ATOM 1271 C ARG B 120 6.890 5.749 6.500 1.00 20.00 C ATOM 1272 O ARG B 120 6.265 6.807 6.430 1.00 3.41 O ATOM 1273 CB ARG B 120 8.694 5.436 8.204 1.00 41.30 C ATOM 1274 CG ARG B 120 8.941 5.581 9.697 1.00 45.10 C ATOM 1275 CD ARG B 120 10.282 6.238 9.978 1.00 22.30 C ATOM 1276 NE ARG B 120 10.206 7.695 9.899 1.00 21.50 N ATOM 1277 CZ ARG B 120 11.271 8.493 9.862 1.00 13.40 C ATOM 1278 NH1 ARG B 120 12.494 7.979 9.897 1.00 73.10 N ATOM 1279 NH2 ARG B 120 11.112 9.807 9.789 1.00 10.40 N ATOM 0 H ARG B 120 7.856 3.130 7.889 1.00 54.40 H new ATOM 0 HA ARG B 120 6.586 5.573 8.608 1.00 41.40 H new ATOM 0 HB2 ARG B 120 9.327 4.638 7.815 1.00 41.30 H new ATOM 0 HB3 ARG B 120 8.997 6.355 7.703 1.00 41.30 H new ATOM 0 HG2 ARG B 120 8.143 6.175 10.143 1.00 45.10 H new ATOM 0 HG3 ARG B 120 8.910 4.599 10.169 1.00 45.10 H new ATOM 0 HD2 ARG B 120 10.628 5.946 10.970 1.00 22.30 H new ATOM 0 HD3 ARG B 120 11.020 5.874 9.263 1.00 22.30 H new ATOM 0 HE ARG B 120 9.282 8.126 9.871 1.00 21.50 H new ATOM 0 HH11 ARG B 120 12.621 6.968 9.952 1.00 73.10 H new ATOM 0 HH12 ARG B 120 13.307 8.594 9.868 1.00 73.10 H new ATOM 0 HH21 ARG B 120 10.174 10.206 9.761 1.00 10.40 H new ATOM 0 HH22 ARG B 120 11.928 10.419 9.761 1.00 10.40 H new ATOM 1293 N ARG B 121 7.301 5.080 5.427 1.00 71.50 N ATOM 1294 CA ARG B 121 7.034 5.561 4.077 1.00 50.30 C ATOM 1295 C ARG B 121 5.533 5.671 3.825 1.00 42.20 C ATOM 1296 O ARG B 121 5.081 6.541 3.081 1.00 35.50 O ATOM 1297 CB ARG B 121 7.669 4.628 3.045 1.00 32.20 C ATOM 1298 CG ARG B 121 9.189 4.658 3.051 1.00 52.10 C ATOM 1299 CD ARG B 121 9.775 3.301 2.698 1.00 74.40 C ATOM 1300 NE ARG B 121 11.215 3.370 2.465 1.00 65.20 N ATOM 1301 CZ ARG B 121 11.763 3.813 1.336 1.00 2.30 C ATOM 1302 NH1 ARG B 121 10.995 4.226 0.335 1.00 71.40 N ATOM 1303 NH2 ARG B 121 13.082 3.843 1.206 1.00 42.50 N ATOM 0 H ARG B 121 7.820 4.203 5.467 1.00 71.50 H new ATOM 0 HA ARG B 121 7.474 6.553 3.979 1.00 50.30 H new ATOM 0 HB2 ARG B 121 7.333 3.608 3.234 1.00 32.20 H new ATOM 0 HB3 ARG B 121 7.312 4.902 2.052 1.00 32.20 H new ATOM 0 HG2 ARG B 121 9.542 5.404 2.339 1.00 52.10 H new ATOM 0 HG3 ARG B 121 9.544 4.964 4.035 1.00 52.10 H new ATOM 0 HD2 ARG B 121 9.572 2.597 3.505 1.00 74.40 H new ATOM 0 HD3 ARG B 121 9.282 2.914 1.806 1.00 74.40 H new ATOM 0 HE ARG B 121 11.837 3.060 3.211 1.00 65.20 H new ATOM 0 HH11 ARG B 121 9.980 4.205 0.429 1.00 71.40 H new ATOM 0 HH12 ARG B 121 11.420 4.565 -0.528 1.00 71.40 H new ATOM 0 HH21 ARG B 121 13.677 3.526 1.971 1.00 42.50 H new ATOM 0 HH22 ARG B 121 13.502 4.183 0.341 1.00 42.50 H new ATOM 1317 N LEU B 122 4.767 4.783 4.450 1.00 71.10 N ATOM 1318 CA LEU B 122 3.317 4.780 4.293 1.00 1.25 C ATOM 1319 C LEU B 122 2.696 6.003 4.959 1.00 35.20 C ATOM 1320 O LEU B 122 1.800 6.638 4.401 1.00 62.50 O ATOM 1321 CB LEU B 122 2.722 3.503 4.889 1.00 52.50 C ATOM 1322 CG LEU B 122 1.426 3.024 4.231 1.00 64.00 C ATOM 1323 CD1 LEU B 122 1.321 1.509 4.299 1.00 13.40 C ATOM 1324 CD2 LEU B 122 0.221 3.674 4.894 1.00 31.30 C ATOM 0 H LEU B 122 5.126 4.057 5.070 1.00 71.10 H new ATOM 0 HA LEU B 122 3.091 4.815 3.227 1.00 1.25 H new ATOM 0 HB2 LEU B 122 3.463 2.707 4.818 1.00 52.50 H new ATOM 0 HB3 LEU B 122 2.533 3.669 5.950 1.00 52.50 H new ATOM 0 HG LEU B 122 1.443 3.319 3.182 1.00 64.00 H new ATOM 0 HD11 LEU B 122 0.393 1.187 3.826 1.00 13.40 H new ATOM 0 HD12 LEU B 122 2.168 1.062 3.778 1.00 13.40 H new ATOM 0 HD13 LEU B 122 1.327 1.190 5.341 1.00 13.40 H new ATOM 0 HD21 LEU B 122 -0.692 3.322 4.414 1.00 31.30 H new ATOM 0 HD22 LEU B 122 0.200 3.409 5.951 1.00 31.30 H new ATOM 0 HD23 LEU B 122 0.290 4.757 4.793 1.00 31.30 H new ATOM 1336 N ALA B 123 3.177 6.328 6.154 1.00 13.00 N ATOM 1337 CA ALA B 123 2.669 7.476 6.896 1.00 44.20 C ATOM 1338 C ALA B 123 2.863 8.768 6.110 1.00 53.50 C ATOM 1339 O ALA B 123 1.942 9.575 5.984 1.00 52.20 O ATOM 1340 CB ALA B 123 3.353 7.573 8.251 1.00 1.54 C ATOM 0 H ALA B 123 3.918 5.813 6.629 1.00 13.00 H new ATOM 0 HA ALA B 123 1.600 7.333 7.050 1.00 44.20 H new ATOM 0 HB1 ALA B 123 2.964 8.434 8.794 1.00 1.54 H new ATOM 0 HB2 ALA B 123 3.158 6.666 8.823 1.00 1.54 H new ATOM 0 HB3 ALA B 123 4.427 7.689 8.109 1.00 1.54 H new ATOM 1346 N ALA B 124 4.068 8.957 5.582 1.00 3.22 N ATOM 1347 CA ALA B 124 4.384 10.151 4.807 1.00 1.23 C ATOM 1348 C ALA B 124 3.603 10.178 3.498 1.00 73.50 C ATOM 1349 O ALA B 124 3.187 11.240 3.034 1.00 72.30 O ATOM 1350 CB ALA B 124 5.878 10.222 4.534 1.00 50.50 C ATOM 0 H ALA B 124 4.841 8.299 5.677 1.00 3.22 H new ATOM 0 HA ALA B 124 4.091 11.023 5.392 1.00 1.23 H new ATOM 0 HB1 ALA B 124 6.100 11.118 3.955 1.00 50.50 H new ATOM 0 HB2 ALA B 124 6.419 10.258 5.479 1.00 50.50 H new ATOM 0 HB3 ALA B 124 6.187 9.341 3.972 1.00 50.50 H new ATOM 1356 N LEU B 125 3.407 9.004 2.907 1.00 61.50 N ATOM 1357 CA LEU B 125 2.675 8.893 1.651 1.00 72.30 C ATOM 1358 C LEU B 125 1.248 9.409 1.805 1.00 4.23 C ATOM 1359 O LEU B 125 0.681 9.984 0.876 1.00 63.20 O ATOM 1360 CB LEU B 125 2.656 7.440 1.174 1.00 35.40 C ATOM 1361 CG LEU B 125 2.114 7.230 -0.241 1.00 3.40 C ATOM 1362 CD1 LEU B 125 3.087 7.781 -1.272 1.00 42.00 C ATOM 1363 CD2 LEU B 125 1.846 5.754 -0.494 1.00 22.20 C ATOM 0 H LEU B 125 3.745 8.116 3.278 1.00 61.50 H new ATOM 0 HA LEU B 125 3.185 9.505 0.907 1.00 72.30 H new ATOM 0 HB2 LEU B 125 3.671 7.045 1.220 1.00 35.40 H new ATOM 0 HB3 LEU B 125 2.054 6.854 1.868 1.00 35.40 H new ATOM 0 HG LEU B 125 1.173 7.772 -0.334 1.00 3.40 H new ATOM 0 HD11 LEU B 125 2.685 7.623 -2.273 1.00 42.00 H new ATOM 0 HD12 LEU B 125 3.230 8.848 -1.103 1.00 42.00 H new ATOM 0 HD13 LEU B 125 4.044 7.267 -1.180 1.00 42.00 H new ATOM 0 HD21 LEU B 125 1.461 5.622 -1.505 1.00 22.20 H new ATOM 0 HD22 LEU B 125 2.773 5.192 -0.383 1.00 22.20 H new ATOM 0 HD23 LEU B 125 1.112 5.389 0.224 1.00 22.20 H new