USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 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 27 GLN : amide:sc= 0.854 K(o=3.6,f=1.3) USER MOD Set 1.2: A 44 GLN : amide:sc= 1.54 K(o=3.6,f=1.3) USER MOD Set 1.3: A 48 SER OG : rot 139:sc= 1.19 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0.0469 USER MOD Set 2.2: A 46 THR OG1 : rot -151:sc= 1.41 USER MOD Single : A 11 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.61) USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= 1.2 (180deg=0.623) USER MOD Single : A 15 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Single : A 18 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.18) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0494) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 34 MET CE :methyl 162:sc= -1.19 (180deg=-3.56!) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc=-0.00837 (180deg=-0.112) USER MOD Single : A 38 TYR OH : rot -103:sc= 1.11 USER MOD Single : A 40 ASN : amide:sc= 0.658 K(o=0.66,f=-0.056) USER MOD Single : A 43 SER OG : rot 180:sc= 0.236 USER MOD Single : A 54 ASN : amide:sc= 0.124 X(o=0.12,f=-0.03) USER MOD Single : A 56 SER OG : rot -45:sc= 1.23 USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.229) USER MOD Single : A 59 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.086) USER MOD Single : A 60 MET CE :methyl 157:sc= -1.23 (180deg=-2.38) USER MOD Single : A 61 CYS SG : rot -29:sc= 0.208 USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00993) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0.657 (180deg=0.503) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0399) USER MOD Single : A 72 ASN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 3.570 3.904 -3.615 1.00 0.00 N ATOM 2 CA ASP A 5 3.064 4.800 -2.591 1.00 0.00 C ATOM 3 C ASP A 5 4.107 4.923 -1.470 1.00 0.00 C ATOM 4 O ASP A 5 5.137 4.246 -1.507 1.00 0.00 O ATOM 5 CB ASP A 5 1.714 4.249 -2.098 1.00 0.00 C ATOM 6 CG ASP A 5 0.867 5.242 -1.304 1.00 0.00 C ATOM 7 OD1 ASP A 5 1.291 6.412 -1.192 1.00 0.00 O ATOM 8 OD2 ASP A 5 -0.207 4.813 -0.830 1.00 0.00 O ATOM 0 HA ASP A 5 2.895 5.805 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.139 3.911 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.900 3.374 -1.476 1.00 0.00 H new ATOM 15 N LEU A 6 3.853 5.788 -0.480 1.00 0.00 N ATOM 16 CA LEU A 6 4.751 6.071 0.636 1.00 0.00 C ATOM 17 C LEU A 6 5.395 4.795 1.173 1.00 0.00 C ATOM 18 O LEU A 6 6.612 4.742 1.312 1.00 0.00 O ATOM 19 CB LEU A 6 4.014 6.824 1.754 1.00 0.00 C ATOM 20 CG LEU A 6 3.894 8.337 1.496 1.00 0.00 C ATOM 21 CD1 LEU A 6 2.886 8.687 0.396 1.00 0.00 C ATOM 22 CD2 LEU A 6 3.472 9.037 2.793 1.00 0.00 C ATOM 0 H LEU A 6 2.987 6.325 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 6 5.550 6.711 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.016 6.402 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.538 6.664 2.696 1.00 0.00 H new ATOM 0 HG LEU A 6 4.872 8.678 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.851 9.769 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.191 8.218 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.898 8.323 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.385 10.109 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.510 8.645 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.220 8.856 3.564 1.00 0.00 H new ATOM 34 N GLU A 7 4.581 3.766 1.423 1.00 0.00 N ATOM 35 CA GLU A 7 5.006 2.450 1.883 1.00 0.00 C ATOM 36 C GLU A 7 6.212 1.927 1.093 1.00 0.00 C ATOM 37 O GLU A 7 7.181 1.445 1.677 1.00 0.00 O ATOM 38 CB GLU A 7 3.840 1.451 1.792 1.00 0.00 C ATOM 39 CG GLU A 7 2.556 1.917 2.498 1.00 0.00 C ATOM 40 CD GLU A 7 1.607 2.657 1.555 1.00 0.00 C ATOM 41 OE1 GLU A 7 1.825 3.875 1.370 1.00 0.00 O ATOM 42 OE2 GLU A 7 0.698 1.987 1.020 1.00 0.00 O ATOM 0 H GLU A 7 3.570 3.834 1.305 1.00 0.00 H new ATOM 0 HA GLU A 7 5.314 2.552 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.617 1.265 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.155 0.501 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.043 1.053 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.819 2.570 3.330 1.00 0.00 H new ATOM 49 N GLU A 8 6.153 2.013 -0.238 1.00 0.00 N ATOM 50 CA GLU A 8 7.232 1.566 -1.101 1.00 0.00 C ATOM 51 C GLU A 8 8.381 2.570 -1.030 1.00 0.00 C ATOM 52 O GLU A 8 9.531 2.179 -0.847 1.00 0.00 O ATOM 53 CB GLU A 8 6.743 1.401 -2.549 1.00 0.00 C ATOM 54 CG GLU A 8 5.764 0.228 -2.726 1.00 0.00 C ATOM 55 CD GLU A 8 4.435 0.430 -2.004 1.00 0.00 C ATOM 56 OE1 GLU A 8 3.890 1.550 -2.123 1.00 0.00 O ATOM 57 OE2 GLU A 8 3.995 -0.529 -1.335 1.00 0.00 O ATOM 0 H GLU A 8 5.353 2.396 -0.741 1.00 0.00 H new ATOM 0 HA GLU A 8 7.583 0.592 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.258 2.323 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.603 1.250 -3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.572 0.082 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.233 -0.685 -2.359 1.00 0.00 H new ATOM 64 N LEU A 9 8.072 3.858 -1.196 1.00 0.00 N ATOM 65 CA LEU A 9 9.070 4.923 -1.250 1.00 0.00 C ATOM 66 C LEU A 9 9.975 4.907 -0.015 1.00 0.00 C ATOM 67 O LEU A 9 11.193 4.952 -0.165 1.00 0.00 O ATOM 68 CB LEU A 9 8.380 6.289 -1.420 1.00 0.00 C ATOM 69 CG LEU A 9 7.507 6.409 -2.685 1.00 0.00 C ATOM 70 CD1 LEU A 9 6.684 7.702 -2.640 1.00 0.00 C ATOM 71 CD2 LEU A 9 8.346 6.382 -3.965 1.00 0.00 C ATOM 0 H LEU A 9 7.113 4.192 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 9 9.708 4.749 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.758 6.480 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.143 7.067 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 9 6.841 5.546 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.072 7.775 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.039 7.692 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.355 8.559 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.691 6.469 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.049 7.215 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.896 5.443 -4.019 1.00 0.00 H new ATOM 83 N GLU A 10 9.408 4.839 1.193 1.00 0.00 N ATOM 84 CA GLU A 10 10.189 4.861 2.422 1.00 0.00 C ATOM 85 C GLU A 10 11.141 3.672 2.481 1.00 0.00 C ATOM 86 O GLU A 10 12.357 3.838 2.525 1.00 0.00 O ATOM 87 CB GLU A 10 9.283 4.949 3.658 1.00 0.00 C ATOM 88 CG GLU A 10 8.294 3.805 3.922 1.00 0.00 C ATOM 89 CD GLU A 10 7.196 4.248 4.885 1.00 0.00 C ATOM 90 OE1 GLU A 10 7.452 4.176 6.106 1.00 0.00 O ATOM 91 OE2 GLU A 10 6.129 4.668 4.386 1.00 0.00 O ATOM 0 H GLU A 10 8.401 4.768 1.341 1.00 0.00 H new ATOM 0 HA GLU A 10 10.802 5.762 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.925 5.042 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.710 5.873 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.849 3.479 2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.825 2.948 4.338 1.00 0.00 H new ATOM 98 N GLN A 11 10.574 2.469 2.470 1.00 0.00 N ATOM 99 CA GLN A 11 11.331 1.225 2.509 1.00 0.00 C ATOM 100 C GLN A 11 12.415 1.223 1.429 1.00 0.00 C ATOM 101 O GLN A 11 13.574 0.929 1.714 1.00 0.00 O ATOM 102 CB GLN A 11 10.393 0.018 2.359 1.00 0.00 C ATOM 103 CG GLN A 11 9.400 -0.114 3.523 1.00 0.00 C ATOM 104 CD GLN A 11 10.097 -0.205 4.876 1.00 0.00 C ATOM 105 OE1 GLN A 11 9.998 0.701 5.696 1.00 0.00 O ATOM 106 NE2 GLN A 11 10.827 -1.290 5.118 1.00 0.00 N ATOM 0 H GLN A 11 9.564 2.331 2.433 1.00 0.00 H new ATOM 0 HA GLN A 11 11.824 1.147 3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.840 0.108 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.988 -0.892 2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.727 0.743 3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.786 -1.002 3.374 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.891 -2.028 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.323 -1.384 6.005 1.00 0.00 H new ATOM 115 N PHE A 12 12.049 1.577 0.195 1.00 0.00 N ATOM 116 CA PHE A 12 12.998 1.718 -0.897 1.00 0.00 C ATOM 117 C PHE A 12 14.119 2.688 -0.511 1.00 0.00 C ATOM 118 O PHE A 12 15.290 2.342 -0.633 1.00 0.00 O ATOM 119 CB PHE A 12 12.280 2.159 -2.178 1.00 0.00 C ATOM 120 CG PHE A 12 13.234 2.513 -3.297 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.822 1.504 -4.082 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.696 3.836 -3.400 1.00 0.00 C ATOM 123 CE1 PHE A 12 14.863 1.821 -4.973 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.748 4.148 -4.278 1.00 0.00 C ATOM 125 CZ PHE A 12 15.332 3.143 -5.062 1.00 0.00 C ATOM 0 H PHE A 12 11.084 1.773 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 12 13.456 0.749 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.618 1.359 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.651 3.022 -1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.474 0.485 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.242 4.614 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.302 1.049 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.107 5.164 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.142 3.385 -5.734 1.00 0.00 H new ATOM 135 N ALA A 13 13.782 3.891 -0.038 1.00 0.00 N ATOM 136 CA ALA A 13 14.773 4.871 0.394 1.00 0.00 C ATOM 137 C ALA A 13 15.736 4.271 1.424 1.00 0.00 C ATOM 138 O ALA A 13 16.955 4.326 1.244 1.00 0.00 O ATOM 139 CB ALA A 13 14.080 6.128 0.933 1.00 0.00 C ATOM 0 H ALA A 13 12.817 4.209 0.055 1.00 0.00 H new ATOM 0 HA ALA A 13 15.370 5.160 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.832 6.850 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.464 6.568 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.451 5.861 1.782 1.00 0.00 H new ATOM 145 N LYS A 14 15.200 3.677 2.498 1.00 0.00 N ATOM 146 CA LYS A 14 16.017 3.017 3.513 1.00 0.00 C ATOM 147 C LYS A 14 16.926 1.973 2.857 1.00 0.00 C ATOM 148 O LYS A 14 18.125 1.927 3.119 1.00 0.00 O ATOM 149 CB LYS A 14 15.153 2.354 4.596 1.00 0.00 C ATOM 150 CG LYS A 14 14.172 3.275 5.336 1.00 0.00 C ATOM 151 CD LYS A 14 14.822 4.526 5.936 1.00 0.00 C ATOM 152 CE LYS A 14 13.810 5.227 6.852 1.00 0.00 C ATOM 153 NZ LYS A 14 14.340 6.488 7.397 1.00 0.00 N ATOM 0 H LYS A 14 14.197 3.643 2.683 1.00 0.00 H new ATOM 0 HA LYS A 14 16.627 3.780 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.584 1.547 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.815 1.897 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.387 3.582 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.691 2.710 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.714 4.253 6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.142 5.201 5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.896 5.429 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.542 4.562 7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.918 6.667 8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.373 6.418 7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.103 7.271 6.754 1.00 0.00 H new ATOM 167 N THR A 15 16.361 1.155 1.969 1.00 0.00 N ATOM 168 CA THR A 15 17.107 0.124 1.258 1.00 0.00 C ATOM 169 C THR A 15 18.237 0.753 0.438 1.00 0.00 C ATOM 170 O THR A 15 19.356 0.244 0.430 1.00 0.00 O ATOM 171 CB THR A 15 16.169 -0.734 0.398 1.00 0.00 C ATOM 172 OG1 THR A 15 15.139 -1.269 1.204 1.00 0.00 O ATOM 173 CG2 THR A 15 16.906 -1.911 -0.249 1.00 0.00 C ATOM 0 H THR A 15 15.372 1.191 1.724 1.00 0.00 H new ATOM 0 HA THR A 15 17.567 -0.545 1.985 1.00 0.00 H new ATOM 0 HB THR A 15 15.769 -0.087 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.504 -0.560 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.206 -2.493 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.705 -1.533 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.332 -2.545 0.528 1.00 0.00 H new ATOM 181 N PHE A 16 17.963 1.871 -0.238 1.00 0.00 N ATOM 182 CA PHE A 16 18.963 2.594 -1.002 1.00 0.00 C ATOM 183 C PHE A 16 20.091 3.060 -0.076 1.00 0.00 C ATOM 184 O PHE A 16 21.265 2.894 -0.395 1.00 0.00 O ATOM 185 CB PHE A 16 18.315 3.734 -1.807 1.00 0.00 C ATOM 186 CG PHE A 16 19.278 4.339 -2.808 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.268 5.244 -2.381 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.298 3.858 -4.130 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.277 5.656 -3.270 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.283 4.301 -5.027 1.00 0.00 C ATOM 191 CZ PHE A 16 21.277 5.197 -4.598 1.00 0.00 C ATOM 0 H PHE A 16 17.036 2.296 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 16 19.416 1.931 -1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.438 3.355 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.968 4.509 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 16 20.253 5.622 -1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 16 18.554 3.146 -4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 16 22.053 6.326 -2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.277 3.952 -6.049 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.038 5.532 -5.287 1.00 0.00 H new ATOM 201 N LYS A 17 19.752 3.611 1.092 1.00 0.00 N ATOM 202 CA LYS A 17 20.755 3.981 2.085 1.00 0.00 C ATOM 203 C LYS A 17 21.576 2.763 2.519 1.00 0.00 C ATOM 204 O LYS A 17 22.802 2.823 2.544 1.00 0.00 O ATOM 205 CB LYS A 17 20.078 4.669 3.272 1.00 0.00 C ATOM 206 CG LYS A 17 21.079 5.223 4.293 1.00 0.00 C ATOM 207 CD LYS A 17 20.334 6.049 5.351 1.00 0.00 C ATOM 208 CE LYS A 17 21.247 6.483 6.502 1.00 0.00 C ATOM 209 NZ LYS A 17 22.346 7.346 6.037 1.00 0.00 N ATOM 0 H LYS A 17 18.791 3.809 1.370 1.00 0.00 H new ATOM 0 HA LYS A 17 21.455 4.687 1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.453 5.483 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.417 3.959 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.618 4.404 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 17 21.821 5.843 3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 17 19.902 6.932 4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 17 19.506 5.463 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 17 20.660 7.015 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 17 21.660 5.600 6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.911 7.659 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.952 6.813 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.953 8.176 5.549 1.00 0.00 H new ATOM 223 N GLN A 18 20.913 1.658 2.865 1.00 0.00 N ATOM 224 CA GLN A 18 21.574 0.425 3.278 1.00 0.00 C ATOM 225 C GLN A 18 22.562 -0.031 2.199 1.00 0.00 C ATOM 226 O GLN A 18 23.726 -0.292 2.492 1.00 0.00 O ATOM 227 CB GLN A 18 20.522 -0.651 3.575 1.00 0.00 C ATOM 228 CG GLN A 18 19.700 -0.314 4.830 1.00 0.00 C ATOM 229 CD GLN A 18 18.346 -1.019 4.835 1.00 0.00 C ATOM 230 OE1 GLN A 18 17.316 -0.403 5.086 1.00 0.00 O ATOM 231 NE2 GLN A 18 18.328 -2.318 4.552 1.00 0.00 N ATOM 0 H GLN A 18 19.895 1.596 2.865 1.00 0.00 H new ATOM 0 HA GLN A 18 22.143 0.602 4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.854 -0.753 2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.015 -1.614 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.261 -0.602 5.719 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.547 0.764 4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.199 -2.807 4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.443 -2.825 4.540 1.00 0.00 H new ATOM 240 N ARG A 19 22.106 -0.099 0.947 1.00 0.00 N ATOM 241 CA ARG A 19 22.938 -0.378 -0.217 1.00 0.00 C ATOM 242 C ARG A 19 24.143 0.567 -0.250 1.00 0.00 C ATOM 243 O ARG A 19 25.287 0.122 -0.309 1.00 0.00 O ATOM 244 CB ARG A 19 22.069 -0.253 -1.478 1.00 0.00 C ATOM 245 CG ARG A 19 22.844 -0.137 -2.795 1.00 0.00 C ATOM 246 CD ARG A 19 23.595 -1.411 -3.181 1.00 0.00 C ATOM 247 NE ARG A 19 24.156 -1.241 -4.524 1.00 0.00 N ATOM 248 CZ ARG A 19 24.665 -2.208 -5.298 1.00 0.00 C ATOM 249 NH1 ARG A 19 24.759 -3.465 -4.853 1.00 0.00 N ATOM 250 NH2 ARG A 19 25.079 -1.904 -6.529 1.00 0.00 N ATOM 0 H ARG A 19 21.123 0.042 0.712 1.00 0.00 H new ATOM 0 HA ARG A 19 23.336 -1.391 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.414 -1.122 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.429 0.623 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 19 22.149 0.120 -3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 19 23.556 0.684 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 19 24.390 -1.613 -2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 19 22.921 -2.267 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 19 24.159 -0.295 -4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.441 -3.698 -3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 19 25.149 -4.191 -5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 19 25.006 -0.945 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 19 25.469 -2.630 -7.130 1.00 0.00 H new ATOM 264 N ARG A 20 23.887 1.877 -0.223 1.00 0.00 N ATOM 265 CA ARG A 20 24.927 2.892 -0.284 1.00 0.00 C ATOM 266 C ARG A 20 25.986 2.640 0.798 1.00 0.00 C ATOM 267 O ARG A 20 27.183 2.619 0.510 1.00 0.00 O ATOM 268 CB ARG A 20 24.280 4.280 -0.165 1.00 0.00 C ATOM 269 CG ARG A 20 25.324 5.378 -0.369 1.00 0.00 C ATOM 270 CD ARG A 20 24.756 6.788 -0.199 1.00 0.00 C ATOM 271 NE ARG A 20 24.110 6.989 1.105 1.00 0.00 N ATOM 272 CZ ARG A 20 24.726 7.340 2.244 1.00 0.00 C ATOM 273 NH1 ARG A 20 26.048 7.206 2.396 1.00 0.00 N ATOM 274 NH2 ARG A 20 23.992 7.840 3.243 1.00 0.00 N ATOM 0 H ARG A 20 22.944 2.260 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 20 25.445 2.844 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.487 4.382 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.817 4.389 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.138 5.233 0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.751 5.283 -1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.560 7.515 -0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.033 6.981 -0.991 1.00 0.00 H new ATOM 0 HE ARG A 20 23.101 6.849 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 20 26.613 6.829 1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 20 26.491 7.481 3.273 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.984 7.948 3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.440 8.113 4.118 1.00 0.00 H new ATOM 288 N ILE A 21 25.543 2.428 2.039 1.00 0.00 N ATOM 289 CA ILE A 21 26.415 2.118 3.162 1.00 0.00 C ATOM 290 C ILE A 21 27.182 0.822 2.891 1.00 0.00 C ATOM 291 O ILE A 21 28.390 0.778 3.109 1.00 0.00 O ATOM 292 CB ILE A 21 25.605 2.084 4.475 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.139 3.514 4.813 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.442 1.514 5.632 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.132 3.560 5.965 1.00 0.00 C ATOM 0 H ILE A 21 24.555 2.468 2.290 1.00 0.00 H new ATOM 0 HA ILE A 21 27.161 2.904 3.279 1.00 0.00 H new ATOM 0 HB ILE A 21 24.742 1.432 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.007 4.121 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.689 3.962 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 21 25.844 1.503 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 21 26.753 0.498 5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.324 2.137 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 21 23.843 4.594 6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.249 2.979 5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.586 3.140 6.862 1.00 0.00 H new ATOM 307 N LYS A 22 26.518 -0.226 2.395 1.00 0.00 N ATOM 308 CA LYS A 22 27.170 -1.488 2.065 1.00 0.00 C ATOM 309 C LYS A 22 28.291 -1.278 1.040 1.00 0.00 C ATOM 310 O LYS A 22 29.365 -1.860 1.179 1.00 0.00 O ATOM 311 CB LYS A 22 26.126 -2.517 1.599 1.00 0.00 C ATOM 312 CG LYS A 22 26.719 -3.874 1.190 1.00 0.00 C ATOM 313 CD LYS A 22 27.492 -4.548 2.334 1.00 0.00 C ATOM 314 CE LYS A 22 27.958 -5.956 1.947 1.00 0.00 C ATOM 315 NZ LYS A 22 28.924 -5.925 0.833 1.00 0.00 N ATOM 0 H LYS A 22 25.514 -0.219 2.213 1.00 0.00 H new ATOM 0 HA LYS A 22 27.645 -1.889 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.405 -2.675 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 22 25.577 -2.103 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.916 -4.533 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 22 27.385 -3.734 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.356 -3.938 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.858 -4.604 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 22 28.415 -6.438 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 22 27.096 -6.560 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 29.293 -6.883 0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 28.451 -5.582 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 29.710 -5.288 1.073 1.00 0.00 H new ATOM 329 N LEU A 23 28.066 -0.435 0.026 1.00 0.00 N ATOM 330 CA LEU A 23 29.115 -0.071 -0.926 1.00 0.00 C ATOM 331 C LEU A 23 30.199 0.820 -0.296 1.00 0.00 C ATOM 332 O LEU A 23 31.229 1.063 -0.921 1.00 0.00 O ATOM 333 CB LEU A 23 28.517 0.635 -2.153 1.00 0.00 C ATOM 334 CG LEU A 23 27.511 -0.190 -2.973 1.00 0.00 C ATOM 335 CD1 LEU A 23 27.110 0.628 -4.205 1.00 0.00 C ATOM 336 CD2 LEU A 23 28.089 -1.535 -3.429 1.00 0.00 C ATOM 0 H LEU A 23 27.165 0.007 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 23 29.589 -1.003 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 23 28.024 1.548 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 23 29.333 0.936 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 23 26.652 -0.406 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.396 0.061 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 23 26.653 1.565 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.995 0.841 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 23 27.338 -2.078 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.967 -1.362 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.373 -2.123 -2.557 1.00 0.00 H new ATOM 348 N GLY A 24 29.980 1.337 0.916 1.00 0.00 N ATOM 349 CA GLY A 24 30.854 2.313 1.547 1.00 0.00 C ATOM 350 C GLY A 24 30.809 3.644 0.799 1.00 0.00 C ATOM 351 O GLY A 24 31.789 4.386 0.786 1.00 0.00 O ATOM 0 H GLY A 24 29.177 1.081 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.551 2.463 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.876 1.935 1.565 1.00 0.00 H new ATOM 355 N PHE A 25 29.674 3.946 0.163 1.00 0.00 N ATOM 356 CA PHE A 25 29.499 5.139 -0.648 1.00 0.00 C ATOM 357 C PHE A 25 28.874 6.248 0.189 1.00 0.00 C ATOM 358 O PHE A 25 28.196 5.998 1.184 1.00 0.00 O ATOM 359 CB PHE A 25 28.648 4.811 -1.882 1.00 0.00 C ATOM 360 CG PHE A 25 29.325 4.038 -3.001 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.637 3.535 -2.871 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.626 3.839 -4.207 1.00 0.00 C ATOM 363 CE1 PHE A 25 31.220 2.802 -3.917 1.00 0.00 C ATOM 364 CE2 PHE A 25 29.226 3.134 -5.266 1.00 0.00 C ATOM 365 CZ PHE A 25 30.516 2.601 -5.116 1.00 0.00 C ATOM 0 H PHE A 25 28.843 3.356 0.202 1.00 0.00 H new ATOM 0 HA PHE A 25 30.470 5.492 -0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.780 4.240 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.275 5.748 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.195 3.714 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.625 4.229 -4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 25 32.212 2.392 -3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.693 3.003 -6.196 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.966 2.038 -5.920 1.00 0.00 H new ATOM 375 N THR A 26 29.119 7.490 -0.216 1.00 0.00 N ATOM 376 CA THR A 26 28.753 8.698 0.499 1.00 0.00 C ATOM 377 C THR A 26 29.212 9.867 -0.377 1.00 0.00 C ATOM 378 O THR A 26 29.715 9.630 -1.479 1.00 0.00 O ATOM 379 CB THR A 26 29.396 8.707 1.903 1.00 0.00 C ATOM 380 OG1 THR A 26 29.066 9.897 2.594 1.00 0.00 O ATOM 381 CG2 THR A 26 30.921 8.537 1.839 1.00 0.00 C ATOM 0 H THR A 26 29.601 7.686 -1.093 1.00 0.00 H new ATOM 0 HA THR A 26 27.679 8.768 0.672 1.00 0.00 H new ATOM 0 HB THR A 26 28.992 7.854 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 26 29.480 9.885 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 26 31.331 8.549 2.849 1.00 0.00 H new ATOM 0 HG22 THR A 26 31.161 7.587 1.361 1.00 0.00 H new ATOM 0 HG23 THR A 26 31.354 9.354 1.262 1.00 0.00 H new ATOM 389 N GLN A 27 29.065 11.087 0.151 1.00 0.00 N ATOM 390 CA GLN A 27 29.407 12.385 -0.421 1.00 0.00 C ATOM 391 C GLN A 27 29.640 12.362 -1.937 1.00 0.00 C ATOM 392 O GLN A 27 28.752 12.698 -2.716 1.00 0.00 O ATOM 393 CB GLN A 27 30.620 12.975 0.325 1.00 0.00 C ATOM 394 CG GLN A 27 30.370 13.262 1.814 1.00 0.00 C ATOM 395 CD GLN A 27 29.264 14.283 2.068 1.00 0.00 C ATOM 396 OE1 GLN A 27 28.383 14.059 2.891 1.00 0.00 O ATOM 397 NE2 GLN A 27 29.291 15.417 1.373 1.00 0.00 N ATOM 0 H GLN A 27 28.663 11.196 1.082 1.00 0.00 H new ATOM 0 HA GLN A 27 28.538 13.029 -0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 27 31.458 12.283 0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 27 30.918 13.901 -0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 27 30.113 12.329 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 27 31.295 13.622 2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 27 30.034 15.581 0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 27 28.569 16.122 1.519 1.00 0.00 H new ATOM 406 N GLY A 28 30.861 12.026 -2.353 1.00 0.00 N ATOM 407 CA GLY A 28 31.284 12.155 -3.732 1.00 0.00 C ATOM 408 C GLY A 28 30.766 11.038 -4.634 1.00 0.00 C ATOM 409 O GLY A 28 30.524 11.289 -5.809 1.00 0.00 O ATOM 0 H GLY A 28 31.582 11.656 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 28 30.941 13.114 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 28 32.373 12.167 -3.770 1.00 0.00 H new ATOM 413 N ASP A 29 30.613 9.808 -4.135 1.00 0.00 N ATOM 414 CA ASP A 29 30.390 8.668 -5.022 1.00 0.00 C ATOM 415 C ASP A 29 29.036 8.726 -5.734 1.00 0.00 C ATOM 416 O ASP A 29 28.994 8.954 -6.944 1.00 0.00 O ATOM 417 CB ASP A 29 30.625 7.333 -4.307 1.00 0.00 C ATOM 418 CG ASP A 29 30.757 6.212 -5.336 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.765 5.985 -6.062 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.863 5.634 -5.404 1.00 0.00 O ATOM 0 H ASP A 29 30.639 9.580 -3.141 1.00 0.00 H new ATOM 0 HA ASP A 29 31.140 8.737 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.528 7.389 -3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.797 7.122 -3.630 1.00 0.00 H new ATOM 425 N VAL A 30 27.934 8.519 -5.000 1.00 0.00 N ATOM 426 CA VAL A 30 26.602 8.568 -5.602 1.00 0.00 C ATOM 427 C VAL A 30 26.427 9.925 -6.298 1.00 0.00 C ATOM 428 O VAL A 30 25.952 9.973 -7.429 1.00 0.00 O ATOM 429 CB VAL A 30 25.484 8.215 -4.587 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.097 8.449 -5.196 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.538 6.729 -4.193 1.00 0.00 C ATOM 0 H VAL A 30 27.941 8.318 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 30 26.508 7.794 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 30 25.646 8.854 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.331 8.194 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.995 9.497 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.977 7.823 -6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.742 6.512 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.407 6.112 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.503 6.508 -3.737 1.00 0.00 H new ATOM 441 N GLY A 31 26.898 11.005 -5.663 1.00 0.00 N ATOM 442 CA GLY A 31 26.907 12.346 -6.230 1.00 0.00 C ATOM 443 C GLY A 31 27.506 12.396 -7.636 1.00 0.00 C ATOM 444 O GLY A 31 26.882 12.927 -8.547 1.00 0.00 O ATOM 0 H GLY A 31 27.290 10.963 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.887 12.728 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.475 13.008 -5.575 1.00 0.00 H new ATOM 448 N LEU A 32 28.715 11.863 -7.821 1.00 0.00 N ATOM 449 CA LEU A 32 29.442 11.913 -9.088 1.00 0.00 C ATOM 450 C LEU A 32 28.808 10.979 -10.107 1.00 0.00 C ATOM 451 O LEU A 32 28.601 11.329 -11.268 1.00 0.00 O ATOM 452 CB LEU A 32 30.892 11.488 -8.850 1.00 0.00 C ATOM 453 CG LEU A 32 31.801 11.579 -10.087 1.00 0.00 C ATOM 454 CD1 LEU A 32 31.885 13.006 -10.644 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.206 11.100 -9.708 1.00 0.00 C ATOM 0 H LEU A 32 29.223 11.377 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 32 29.405 12.931 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.313 12.110 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.900 10.461 -8.485 1.00 0.00 H new ATOM 0 HG LEU A 32 31.371 10.948 -10.865 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.538 13.018 -11.516 1.00 0.00 H new ATOM 0 HD12 LEU A 32 30.889 13.344 -10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.287 13.672 -9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.858 11.161 -10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.603 11.731 -8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 32 33.157 10.067 -9.362 1.00 0.00 H new ATOM 467 N ALA A 33 28.541 9.756 -9.658 1.00 0.00 N ATOM 468 CA ALA A 33 27.926 8.724 -10.479 1.00 0.00 C ATOM 469 C ALA A 33 26.610 9.234 -11.076 1.00 0.00 C ATOM 470 O ALA A 33 26.402 9.193 -12.289 1.00 0.00 O ATOM 471 CB ALA A 33 27.750 7.454 -9.645 1.00 0.00 C ATOM 0 H ALA A 33 28.748 9.453 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 33 28.571 8.476 -11.322 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.289 6.678 -10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.724 7.110 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.111 7.667 -8.788 1.00 0.00 H new ATOM 477 N MET A 34 25.729 9.764 -10.228 1.00 0.00 N ATOM 478 CA MET A 34 24.539 10.464 -10.684 1.00 0.00 C ATOM 479 C MET A 34 24.917 11.730 -11.446 1.00 0.00 C ATOM 480 O MET A 34 24.267 12.064 -12.422 1.00 0.00 O ATOM 481 CB MET A 34 23.664 10.833 -9.494 1.00 0.00 C ATOM 482 CG MET A 34 23.075 9.569 -8.866 1.00 0.00 C ATOM 483 SD MET A 34 21.951 9.795 -7.486 1.00 0.00 S ATOM 484 CE MET A 34 20.889 11.005 -8.272 1.00 0.00 C ATOM 0 H MET A 34 25.823 9.718 -9.213 1.00 0.00 H new ATOM 0 HA MET A 34 23.988 9.802 -11.352 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.252 11.376 -8.754 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.862 11.498 -9.814 1.00 0.00 H new ATOM 0 HG2 MET A 34 22.549 9.017 -9.645 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.900 8.940 -8.532 1.00 0.00 H new ATOM 0 HE1 MET A 34 19.942 11.062 -7.735 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.375 11.981 -8.256 1.00 0.00 H new ATOM 0 HE3 MET A 34 20.703 10.710 -9.305 1.00 0.00 H new ATOM 494 N GLY A 35 25.957 12.431 -11.008 1.00 0.00 N ATOM 495 CA GLY A 35 26.571 13.567 -11.682 1.00 0.00 C ATOM 496 C GLY A 35 26.602 13.364 -13.184 1.00 0.00 C ATOM 497 O GLY A 35 26.052 14.166 -13.935 1.00 0.00 O ATOM 0 H GLY A 35 26.418 12.209 -10.126 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.017 14.475 -11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.586 13.708 -11.311 1.00 0.00 H new ATOM 501 N LYS A 36 27.219 12.264 -13.608 1.00 0.00 N ATOM 502 CA LYS A 36 27.230 11.905 -15.017 1.00 0.00 C ATOM 503 C LYS A 36 25.896 11.321 -15.487 1.00 0.00 C ATOM 504 O LYS A 36 25.404 11.685 -16.552 1.00 0.00 O ATOM 505 CB LYS A 36 28.425 11.022 -15.347 1.00 0.00 C ATOM 506 CG LYS A 36 28.550 9.744 -14.514 1.00 0.00 C ATOM 507 CD LYS A 36 29.979 9.252 -14.718 1.00 0.00 C ATOM 508 CE LYS A 36 30.282 7.936 -13.993 1.00 0.00 C ATOM 509 NZ LYS A 36 29.379 6.850 -14.411 1.00 0.00 N ATOM 0 H LYS A 36 27.713 11.612 -12.999 1.00 0.00 H new ATOM 0 HA LYS A 36 27.351 12.825 -15.589 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.370 10.745 -16.400 1.00 0.00 H new ATOM 0 HB3 LYS A 36 29.335 11.609 -15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 36 28.352 9.943 -13.461 1.00 0.00 H new ATOM 0 HG3 LYS A 36 27.828 8.994 -14.838 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.161 9.120 -15.785 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.672 10.018 -14.369 1.00 0.00 H new ATOM 0 HE2 LYS A 36 31.314 7.644 -14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 36 30.193 8.087 -12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 29.703 5.951 -14.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.414 7.054 -14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 29.381 6.777 -15.448 1.00 0.00 H new ATOM 523 N LEU A 37 25.316 10.393 -14.722 1.00 0.00 N ATOM 524 CA LEU A 37 24.154 9.626 -15.166 1.00 0.00 C ATOM 525 C LEU A 37 22.851 10.456 -15.216 1.00 0.00 C ATOM 526 O LEU A 37 21.879 10.034 -15.838 1.00 0.00 O ATOM 527 CB LEU A 37 24.058 8.367 -14.286 1.00 0.00 C ATOM 528 CG LEU A 37 22.939 7.385 -14.647 1.00 0.00 C ATOM 529 CD1 LEU A 37 22.964 6.949 -16.118 1.00 0.00 C ATOM 530 CD2 LEU A 37 23.046 6.133 -13.771 1.00 0.00 C ATOM 0 H LEU A 37 25.637 10.155 -13.784 1.00 0.00 H new ATOM 0 HA LEU A 37 24.290 9.326 -16.205 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.010 7.838 -14.336 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.921 8.680 -13.251 1.00 0.00 H new ATOM 0 HG LEU A 37 22.002 7.914 -14.474 1.00 0.00 H new ATOM 0 HD11 LEU A 37 22.145 6.254 -16.306 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.852 7.824 -16.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.913 6.459 -16.336 1.00 0.00 H new ATOM 0 HD21 LEU A 37 22.248 5.438 -14.031 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.012 5.655 -13.936 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.954 6.414 -12.722 1.00 0.00 H new ATOM 542 N TYR A 38 22.814 11.621 -14.563 1.00 0.00 N ATOM 543 CA TYR A 38 21.636 12.473 -14.396 1.00 0.00 C ATOM 544 C TYR A 38 22.039 13.940 -14.199 1.00 0.00 C ATOM 545 O TYR A 38 21.676 14.805 -14.993 1.00 0.00 O ATOM 546 CB TYR A 38 20.811 12.036 -13.170 1.00 0.00 C ATOM 547 CG TYR A 38 20.182 10.662 -13.232 1.00 0.00 C ATOM 548 CD1 TYR A 38 18.899 10.493 -13.787 1.00 0.00 C ATOM 549 CD2 TYR A 38 20.810 9.581 -12.587 1.00 0.00 C ATOM 550 CE1 TYR A 38 18.256 9.247 -13.707 1.00 0.00 C ATOM 551 CE2 TYR A 38 20.189 8.323 -12.552 1.00 0.00 C ATOM 552 CZ TYR A 38 18.930 8.151 -13.149 1.00 0.00 C ATOM 553 OH TYR A 38 18.298 6.952 -13.082 1.00 0.00 O ATOM 0 H TYR A 38 23.643 12.013 -14.116 1.00 0.00 H new ATOM 0 HA TYR A 38 21.040 12.372 -15.303 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.457 12.076 -12.293 1.00 0.00 H new ATOM 0 HB3 TYR A 38 20.018 12.767 -13.015 1.00 0.00 H new ATOM 0 HD1 TYR A 38 18.409 11.323 -14.275 1.00 0.00 H new ATOM 0 HD2 TYR A 38 21.773 9.720 -12.117 1.00 0.00 H new ATOM 0 HE1 TYR A 38 17.247 9.133 -14.074 1.00 0.00 H new ATOM 0 HE2 TYR A 38 20.678 7.490 -12.068 1.00 0.00 H new ATOM 0 HH TYR A 38 17.987 6.797 -12.166 1.00 0.00 H new ATOM 563 N GLY A 39 22.728 14.221 -13.091 1.00 0.00 N ATOM 564 CA GLY A 39 23.035 15.548 -12.587 1.00 0.00 C ATOM 565 C GLY A 39 23.590 15.397 -11.170 1.00 0.00 C ATOM 566 O GLY A 39 23.240 14.450 -10.466 1.00 0.00 O ATOM 0 H GLY A 39 23.104 13.484 -12.494 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.763 16.042 -13.231 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.140 16.170 -12.582 1.00 0.00 H new ATOM 570 N ASN A 40 24.487 16.300 -10.752 1.00 0.00 N ATOM 571 CA ASN A 40 25.266 16.134 -9.524 1.00 0.00 C ATOM 572 C ASN A 40 24.461 16.560 -8.300 1.00 0.00 C ATOM 573 O ASN A 40 24.781 17.543 -7.633 1.00 0.00 O ATOM 574 CB ASN A 40 26.615 16.859 -9.647 1.00 0.00 C ATOM 575 CG ASN A 40 27.606 16.412 -8.570 1.00 0.00 C ATOM 576 OD1 ASN A 40 28.582 15.731 -8.862 1.00 0.00 O ATOM 577 ND2 ASN A 40 27.382 16.802 -7.319 1.00 0.00 N ATOM 0 H ASN A 40 24.691 17.163 -11.256 1.00 0.00 H new ATOM 0 HA ASN A 40 25.488 15.077 -9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 40 27.040 16.669 -10.632 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.457 17.935 -9.570 1.00 0.00 H new ATOM 0 HD21 ASN A 40 28.030 16.535 -6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.562 17.369 -7.100 1.00 0.00 H new ATOM 584 N ASP A 41 23.421 15.784 -8.008 1.00 0.00 N ATOM 585 CA ASP A 41 22.616 15.870 -6.800 1.00 0.00 C ATOM 586 C ASP A 41 22.685 14.507 -6.101 1.00 0.00 C ATOM 587 O ASP A 41 23.206 13.554 -6.677 1.00 0.00 O ATOM 588 CB ASP A 41 21.196 16.298 -7.204 1.00 0.00 C ATOM 589 CG ASP A 41 20.272 16.605 -6.030 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.794 16.782 -4.906 1.00 0.00 O ATOM 591 OD2 ASP A 41 19.051 16.670 -6.280 1.00 0.00 O ATOM 0 H ASP A 41 23.105 15.046 -8.637 1.00 0.00 H new ATOM 0 HA ASP A 41 22.978 16.615 -6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.263 17.182 -7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.749 15.507 -7.805 1.00 0.00 H new ATOM 596 N PHE A 42 22.174 14.402 -4.870 1.00 0.00 N ATOM 597 CA PHE A 42 22.163 13.169 -4.085 1.00 0.00 C ATOM 598 C PHE A 42 23.581 12.682 -3.790 1.00 0.00 C ATOM 599 O PHE A 42 23.878 11.493 -3.866 1.00 0.00 O ATOM 600 CB PHE A 42 21.305 12.091 -4.760 1.00 0.00 C ATOM 601 CG PHE A 42 19.849 12.472 -4.955 1.00 0.00 C ATOM 602 CD1 PHE A 42 19.475 13.249 -6.065 1.00 0.00 C ATOM 603 CD2 PHE A 42 18.871 12.093 -4.014 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.140 13.650 -6.235 1.00 0.00 C ATOM 605 CE2 PHE A 42 17.546 12.537 -4.155 1.00 0.00 C ATOM 606 CZ PHE A 42 17.178 13.302 -5.274 1.00 0.00 C ATOM 0 H PHE A 42 21.748 15.191 -4.383 1.00 0.00 H new ATOM 0 HA PHE A 42 21.701 13.387 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 42 21.739 11.856 -5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 42 21.352 11.181 -4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 42 20.219 13.539 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 42 19.141 11.459 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.854 14.225 -7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 42 16.811 12.290 -3.404 1.00 0.00 H new ATOM 0 HZ PHE A 42 16.154 13.623 -5.395 1.00 0.00 H new ATOM 616 N SER A 43 24.445 13.613 -3.386 1.00 0.00 N ATOM 617 CA SER A 43 25.761 13.324 -2.856 1.00 0.00 C ATOM 618 C SER A 43 25.614 12.513 -1.569 1.00 0.00 C ATOM 619 O SER A 43 26.111 11.397 -1.438 1.00 0.00 O ATOM 620 CB SER A 43 26.418 14.681 -2.575 1.00 0.00 C ATOM 621 OG SER A 43 25.452 15.539 -1.981 1.00 0.00 O ATOM 0 H SER A 43 24.236 14.611 -3.422 1.00 0.00 H new ATOM 0 HA SER A 43 26.368 12.742 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 43 27.273 14.557 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 43 26.794 15.118 -3.500 1.00 0.00 H new ATOM 0 HG SER A 43 25.859 16.411 -1.794 1.00 0.00 H new ATOM 627 N GLN A 44 24.911 13.129 -0.621 1.00 0.00 N ATOM 628 CA GLN A 44 24.598 12.585 0.689 1.00 0.00 C ATOM 629 C GLN A 44 23.383 13.317 1.249 1.00 0.00 C ATOM 630 O GLN A 44 22.418 12.684 1.662 1.00 0.00 O ATOM 631 CB GLN A 44 25.832 12.710 1.595 1.00 0.00 C ATOM 632 CG GLN A 44 25.577 12.294 3.053 1.00 0.00 C ATOM 633 CD GLN A 44 25.057 13.447 3.911 1.00 0.00 C ATOM 634 OE1 GLN A 44 23.912 13.445 4.351 1.00 0.00 O ATOM 635 NE2 GLN A 44 25.895 14.448 4.150 1.00 0.00 N ATOM 0 H GLN A 44 24.528 14.065 -0.757 1.00 0.00 H new ATOM 0 HA GLN A 44 24.347 11.526 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.634 12.095 1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 44 26.181 13.743 1.577 1.00 0.00 H new ATOM 0 HG2 GLN A 44 24.856 11.477 3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 44 26.502 11.913 3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 44 26.842 14.422 3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 44 25.592 15.243 4.713 1.00 0.00 H new ATOM 644 N THR A 45 23.422 14.649 1.254 1.00 0.00 N ATOM 645 CA THR A 45 22.397 15.498 1.841 1.00 0.00 C ATOM 646 C THR A 45 20.997 15.116 1.354 1.00 0.00 C ATOM 647 O THR A 45 20.117 14.798 2.158 1.00 0.00 O ATOM 648 CB THR A 45 22.734 16.954 1.490 1.00 0.00 C ATOM 649 OG1 THR A 45 23.152 17.003 0.137 1.00 0.00 O ATOM 650 CG2 THR A 45 23.876 17.471 2.369 1.00 0.00 C ATOM 0 H THR A 45 24.189 15.177 0.838 1.00 0.00 H new ATOM 0 HA THR A 45 22.386 15.367 2.923 1.00 0.00 H new ATOM 0 HB THR A 45 21.852 17.573 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.370 17.927 -0.105 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.100 18.505 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.580 17.421 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 45 24.763 16.857 2.212 1.00 0.00 H new ATOM 658 N THR A 46 20.788 15.166 0.039 1.00 0.00 N ATOM 659 CA THR A 46 19.523 14.863 -0.610 1.00 0.00 C ATOM 660 C THR A 46 19.093 13.415 -0.334 1.00 0.00 C ATOM 661 O THR A 46 17.912 13.129 -0.150 1.00 0.00 O ATOM 662 CB THR A 46 19.650 15.171 -2.114 1.00 0.00 C ATOM 663 OG1 THR A 46 20.865 15.857 -2.373 1.00 0.00 O ATOM 664 CG2 THR A 46 18.483 16.033 -2.603 1.00 0.00 C ATOM 0 H THR A 46 21.521 15.427 -0.621 1.00 0.00 H new ATOM 0 HA THR A 46 18.733 15.491 -0.199 1.00 0.00 H new ATOM 0 HB THR A 46 19.637 14.220 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.754 16.434 -3.157 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.600 16.234 -3.668 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.545 15.504 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 46 18.472 16.975 -2.055 1.00 0.00 H new ATOM 672 N ILE A 47 20.061 12.496 -0.277 1.00 0.00 N ATOM 673 CA ILE A 47 19.828 11.091 0.034 1.00 0.00 C ATOM 674 C ILE A 47 19.287 10.973 1.464 1.00 0.00 C ATOM 675 O ILE A 47 18.173 10.494 1.667 1.00 0.00 O ATOM 676 CB ILE A 47 21.117 10.295 -0.277 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.264 10.064 -1.775 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.290 8.973 0.471 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.320 9.016 -2.372 1.00 0.00 C ATOM 0 H ILE A 47 21.042 12.715 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 47 19.056 10.642 -0.591 1.00 0.00 H new ATOM 0 HB ILE A 47 21.914 10.936 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.101 11.011 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.291 9.763 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.228 8.506 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.305 9.162 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.461 8.308 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.505 8.927 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.495 8.053 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.287 9.321 -2.207 1.00 0.00 H new ATOM 691 N SER A 48 20.007 11.490 2.457 1.00 0.00 N ATOM 692 CA SER A 48 19.516 11.557 3.825 1.00 0.00 C ATOM 693 C SER A 48 18.113 12.182 3.884 1.00 0.00 C ATOM 694 O SER A 48 17.224 11.652 4.547 1.00 0.00 O ATOM 695 CB SER A 48 20.532 12.323 4.672 1.00 0.00 C ATOM 696 OG SER A 48 21.786 11.679 4.553 1.00 0.00 O ATOM 0 H SER A 48 20.944 11.872 2.333 1.00 0.00 H new ATOM 0 HA SER A 48 19.412 10.551 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.603 13.357 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.215 12.348 5.715 1.00 0.00 H new ATOM 0 HG SER A 48 22.493 12.352 4.468 1.00 0.00 H new ATOM 702 N ARG A 49 17.895 13.289 3.168 1.00 0.00 N ATOM 703 CA ARG A 49 16.589 13.940 3.091 1.00 0.00 C ATOM 704 C ARG A 49 15.510 13.027 2.494 1.00 0.00 C ATOM 705 O ARG A 49 14.368 13.062 2.953 1.00 0.00 O ATOM 706 CB ARG A 49 16.719 15.263 2.330 1.00 0.00 C ATOM 707 CG ARG A 49 17.376 16.308 3.239 1.00 0.00 C ATOM 708 CD ARG A 49 18.041 17.425 2.428 1.00 0.00 C ATOM 709 NE ARG A 49 18.726 18.389 3.300 1.00 0.00 N ATOM 710 CZ ARG A 49 19.832 18.141 4.019 1.00 0.00 C ATOM 711 NH1 ARG A 49 20.429 16.944 3.974 1.00 0.00 N ATOM 712 NH2 ARG A 49 20.337 19.106 4.794 1.00 0.00 N ATOM 0 H ARG A 49 18.621 13.757 2.626 1.00 0.00 H new ATOM 0 HA ARG A 49 16.254 14.155 4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.316 15.121 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.737 15.609 2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.625 16.737 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.121 15.824 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 49 18.757 16.992 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.288 17.942 1.833 1.00 0.00 H new ATOM 0 HE ARG A 49 18.327 19.326 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.044 16.204 3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.269 16.772 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.882 20.018 4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 49 21.177 18.930 5.345 1.00 0.00 H new ATOM 726 N PHE A 50 15.845 12.206 1.494 1.00 0.00 N ATOM 727 CA PHE A 50 14.940 11.189 0.972 1.00 0.00 C ATOM 728 C PHE A 50 14.548 10.230 2.087 1.00 0.00 C ATOM 729 O PHE A 50 13.364 10.055 2.370 1.00 0.00 O ATOM 730 CB PHE A 50 15.615 10.417 -0.167 1.00 0.00 C ATOM 731 CG PHE A 50 14.812 9.335 -0.864 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.410 9.406 -1.001 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.511 8.264 -1.448 1.00 0.00 C ATOM 734 CE1 PHE A 50 12.735 8.480 -1.819 1.00 0.00 C ATOM 735 CE2 PHE A 50 14.832 7.322 -2.235 1.00 0.00 C ATOM 736 CZ PHE A 50 13.454 7.465 -2.471 1.00 0.00 C ATOM 0 H PHE A 50 16.751 12.231 1.027 1.00 0.00 H new ATOM 0 HA PHE A 50 14.045 11.675 0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.928 11.139 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.520 9.958 0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.854 10.171 -0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.575 8.166 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.665 8.550 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.368 6.486 -2.660 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.949 6.796 -3.152 1.00 0.00 H new ATOM 746 N GLU A 51 15.547 9.630 2.739 1.00 0.00 N ATOM 747 CA GLU A 51 15.298 8.698 3.839 1.00 0.00 C ATOM 748 C GLU A 51 14.540 9.348 5.003 1.00 0.00 C ATOM 749 O GLU A 51 13.776 8.668 5.683 1.00 0.00 O ATOM 750 CB GLU A 51 16.587 8.036 4.339 1.00 0.00 C ATOM 751 CG GLU A 51 17.089 6.950 3.380 1.00 0.00 C ATOM 752 CD GLU A 51 17.927 7.524 2.241 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.063 7.947 2.548 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.428 7.525 1.096 1.00 0.00 O ATOM 0 H GLU A 51 16.534 9.773 2.524 1.00 0.00 H new ATOM 0 HA GLU A 51 14.658 7.919 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.359 8.795 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.411 7.598 5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.684 6.225 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.236 6.412 2.965 1.00 0.00 H new ATOM 761 N ALA A 52 14.737 10.646 5.243 1.00 0.00 N ATOM 762 CA ALA A 52 13.983 11.397 6.242 1.00 0.00 C ATOM 763 C ALA A 52 12.583 11.794 5.744 1.00 0.00 C ATOM 764 O ALA A 52 11.828 12.424 6.480 1.00 0.00 O ATOM 765 CB ALA A 52 14.782 12.639 6.644 1.00 0.00 C ATOM 0 H ALA A 52 15.429 11.207 4.745 1.00 0.00 H new ATOM 0 HA ALA A 52 13.834 10.752 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.224 13.205 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.742 12.335 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.950 13.263 5.766 1.00 0.00 H new ATOM 771 N LEU A 53 12.245 11.472 4.492 1.00 0.00 N ATOM 772 CA LEU A 53 11.024 11.871 3.809 1.00 0.00 C ATOM 773 C LEU A 53 10.809 13.390 3.843 1.00 0.00 C ATOM 774 O LEU A 53 9.679 13.879 3.847 1.00 0.00 O ATOM 775 CB LEU A 53 9.803 11.062 4.285 1.00 0.00 C ATOM 776 CG LEU A 53 9.766 9.608 3.770 1.00 0.00 C ATOM 777 CD1 LEU A 53 10.745 8.692 4.508 1.00 0.00 C ATOM 778 CD2 LEU A 53 8.341 9.071 3.948 1.00 0.00 C ATOM 0 H LEU A 53 12.849 10.898 3.904 1.00 0.00 H new ATOM 0 HA LEU A 53 11.147 11.621 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.792 11.050 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.895 11.573 3.963 1.00 0.00 H new ATOM 0 HG LEU A 53 10.065 9.615 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.675 7.682 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.761 9.065 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.498 8.675 5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.292 8.043 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.070 9.101 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.646 9.687 3.378 1.00 0.00 H new ATOM 790 N ASN A 54 11.906 14.147 3.759 1.00 0.00 N ATOM 791 CA ASN A 54 11.870 15.604 3.733 1.00 0.00 C ATOM 792 C ASN A 54 11.468 16.063 2.332 1.00 0.00 C ATOM 793 O ASN A 54 10.785 17.072 2.174 1.00 0.00 O ATOM 794 CB ASN A 54 13.249 16.149 4.126 1.00 0.00 C ATOM 795 CG ASN A 54 13.301 17.644 4.458 1.00 0.00 C ATOM 796 OD1 ASN A 54 14.203 18.068 5.171 1.00 0.00 O ATOM 797 ND2 ASN A 54 12.382 18.473 3.971 1.00 0.00 N ATOM 0 H ASN A 54 12.848 13.760 3.707 1.00 0.00 H new ATOM 0 HA ASN A 54 11.138 15.985 4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.607 15.591 4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.944 15.952 3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.425 19.468 4.190 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.634 18.114 3.378 1.00 0.00 H new ATOM 804 N LEU A 55 11.838 15.297 1.305 1.00 0.00 N ATOM 805 CA LEU A 55 11.464 15.557 -0.084 1.00 0.00 C ATOM 806 C LEU A 55 10.039 15.041 -0.349 1.00 0.00 C ATOM 807 O LEU A 55 9.766 14.468 -1.402 1.00 0.00 O ATOM 808 CB LEU A 55 12.489 14.873 -1.005 1.00 0.00 C ATOM 809 CG LEU A 55 13.957 15.140 -0.628 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.874 14.325 -1.542 1.00 0.00 C ATOM 811 CD2 LEU A 55 14.314 16.627 -0.730 1.00 0.00 C ATOM 0 H LEU A 55 12.416 14.464 1.418 1.00 0.00 H new ATOM 0 HA LEU A 55 11.469 16.628 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.312 13.798 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.322 15.210 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 55 14.096 14.838 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.914 14.514 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.656 13.264 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.706 14.616 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.359 16.770 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.158 16.969 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.679 17.201 -0.054 1.00 0.00 H new ATOM 823 N SER A 56 9.144 15.235 0.627 1.00 0.00 N ATOM 824 CA SER A 56 7.819 14.656 0.778 1.00 0.00 C ATOM 825 C SER A 56 7.019 14.487 -0.519 1.00 0.00 C ATOM 826 O SER A 56 6.317 15.400 -0.948 1.00 0.00 O ATOM 827 CB SER A 56 7.077 15.492 1.825 1.00 0.00 C ATOM 828 OG SER A 56 7.981 15.838 2.863 1.00 0.00 O ATOM 0 H SER A 56 9.358 15.863 1.402 1.00 0.00 H new ATOM 0 HA SER A 56 7.936 13.624 1.108 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.667 16.392 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.236 14.929 2.230 1.00 0.00 H new ATOM 0 HG SER A 56 8.501 15.048 3.120 1.00 0.00 H new ATOM 834 N PHE A 57 7.099 13.289 -1.107 1.00 0.00 N ATOM 835 CA PHE A 57 6.356 12.800 -2.267 1.00 0.00 C ATOM 836 C PHE A 57 6.748 13.484 -3.580 1.00 0.00 C ATOM 837 O PHE A 57 7.135 12.815 -4.538 1.00 0.00 O ATOM 838 CB PHE A 57 4.843 12.829 -2.022 1.00 0.00 C ATOM 839 CG PHE A 57 4.091 11.932 -2.985 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.020 10.549 -2.732 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.605 12.444 -4.202 1.00 0.00 C ATOM 842 CE1 PHE A 57 3.438 9.686 -3.676 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.033 11.579 -5.152 1.00 0.00 C ATOM 844 CZ PHE A 57 2.947 10.202 -4.889 1.00 0.00 C ATOM 0 H PHE A 57 7.740 12.579 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 57 6.646 11.757 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.636 12.515 -0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.480 13.852 -2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.414 10.150 -1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.671 13.502 -4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.368 8.628 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.659 11.974 -6.085 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.504 9.540 -5.618 1.00 0.00 H new ATOM 854 N LYS A 58 6.635 14.816 -3.616 1.00 0.00 N ATOM 855 CA LYS A 58 6.856 15.674 -4.772 1.00 0.00 C ATOM 856 C LYS A 58 8.052 15.232 -5.620 1.00 0.00 C ATOM 857 O LYS A 58 7.929 15.058 -6.830 1.00 0.00 O ATOM 858 CB LYS A 58 6.958 17.139 -4.310 1.00 0.00 C ATOM 859 CG LYS A 58 8.057 17.408 -3.265 1.00 0.00 C ATOM 860 CD LYS A 58 7.909 18.820 -2.682 1.00 0.00 C ATOM 861 CE LYS A 58 8.946 19.092 -1.585 1.00 0.00 C ATOM 862 NZ LYS A 58 8.685 18.300 -0.369 1.00 0.00 N ATOM 0 H LYS A 58 6.371 15.350 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 58 5.998 15.583 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.141 17.769 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.997 17.442 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.996 16.670 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.039 17.299 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.020 19.556 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.906 18.942 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.942 18.860 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.939 20.153 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.547 18.940 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.829 17.726 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.495 17.675 -0.181 1.00 0.00 H new ATOM 876 N ASN A 59 9.210 15.036 -4.986 1.00 0.00 N ATOM 877 CA ASN A 59 10.399 14.577 -5.688 1.00 0.00 C ATOM 878 C ASN A 59 10.326 13.072 -5.899 1.00 0.00 C ATOM 879 O ASN A 59 10.642 12.576 -6.983 1.00 0.00 O ATOM 880 CB ASN A 59 11.648 14.899 -4.864 1.00 0.00 C ATOM 881 CG ASN A 59 12.966 14.772 -5.637 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.997 15.224 -5.156 1.00 0.00 O ATOM 883 ND2 ASN A 59 12.982 14.167 -6.825 1.00 0.00 N ATOM 0 H ASN A 59 9.344 15.190 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 59 10.453 15.083 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.563 15.915 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.681 14.233 -4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.858 14.078 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.118 13.793 -7.219 1.00 0.00 H new ATOM 890 N MET A 60 9.986 12.370 -4.815 1.00 0.00 N ATOM 891 CA MET A 60 10.055 10.921 -4.664 1.00 0.00 C ATOM 892 C MET A 60 9.524 10.178 -5.872 1.00 0.00 C ATOM 893 O MET A 60 10.086 9.158 -6.249 1.00 0.00 O ATOM 894 CB MET A 60 9.292 10.445 -3.433 1.00 0.00 C ATOM 895 CG MET A 60 9.818 11.038 -2.133 1.00 0.00 C ATOM 896 SD MET A 60 8.953 10.400 -0.685 1.00 0.00 S ATOM 897 CE MET A 60 9.826 11.336 0.572 1.00 0.00 C ATOM 0 H MET A 60 9.636 12.827 -3.973 1.00 0.00 H new ATOM 0 HA MET A 60 11.116 10.696 -4.553 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.239 10.705 -3.543 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.348 9.358 -3.377 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.882 10.820 -2.042 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.716 12.123 -2.165 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.207 11.410 1.466 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.760 10.831 0.819 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.042 12.336 0.196 1.00 0.00 H new ATOM 907 N CYS A 61 8.436 10.645 -6.474 1.00 0.00 N ATOM 908 CA CYS A 61 7.869 9.879 -7.576 1.00 0.00 C ATOM 909 C CYS A 61 8.800 9.803 -8.791 1.00 0.00 C ATOM 910 O CYS A 61 8.723 8.844 -9.556 1.00 0.00 O ATOM 911 CB CYS A 61 6.484 10.413 -7.949 1.00 0.00 C ATOM 912 SG CYS A 61 5.690 9.252 -9.090 1.00 0.00 S ATOM 0 H CYS A 61 7.948 11.508 -6.233 1.00 0.00 H new ATOM 0 HA CYS A 61 7.755 8.853 -7.228 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.875 10.537 -7.054 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.572 11.395 -8.413 1.00 0.00 H new ATOM 0 HG CYS A 61 6.600 8.636 -9.785 1.00 0.00 H new ATOM 917 N LYS A 62 9.691 10.783 -8.968 1.00 0.00 N ATOM 918 CA LYS A 62 10.766 10.698 -9.953 1.00 0.00 C ATOM 919 C LYS A 62 11.997 10.068 -9.294 1.00 0.00 C ATOM 920 O LYS A 62 12.655 9.197 -9.861 1.00 0.00 O ATOM 921 CB LYS A 62 11.066 12.102 -10.499 1.00 0.00 C ATOM 922 CG LYS A 62 12.161 12.130 -11.578 1.00 0.00 C ATOM 923 CD LYS A 62 11.793 11.274 -12.800 1.00 0.00 C ATOM 924 CE LYS A 62 12.741 11.524 -13.979 1.00 0.00 C ATOM 925 NZ LYS A 62 14.126 11.135 -13.660 1.00 0.00 N ATOM 0 H LYS A 62 9.685 11.652 -8.434 1.00 0.00 H new ATOM 0 HA LYS A 62 10.471 10.069 -10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.150 12.523 -10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.367 12.746 -9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.330 13.159 -11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.097 11.769 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.823 10.219 -12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.770 11.495 -13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.397 10.963 -14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.713 12.579 -14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.730 11.287 -14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.475 11.712 -12.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.152 10.130 -13.393 1.00 0.00 H new ATOM 939 N LEU A 63 12.312 10.533 -8.086 1.00 0.00 N ATOM 940 CA LEU A 63 13.503 10.166 -7.330 1.00 0.00 C ATOM 941 C LEU A 63 13.608 8.660 -7.101 1.00 0.00 C ATOM 942 O LEU A 63 14.686 8.093 -7.261 1.00 0.00 O ATOM 943 CB LEU A 63 13.573 11.041 -6.071 1.00 0.00 C ATOM 944 CG LEU A 63 13.905 10.463 -4.689 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.315 9.871 -4.637 1.00 0.00 C ATOM 946 CD2 LEU A 63 13.803 11.627 -3.693 1.00 0.00 C ATOM 0 H LEU A 63 11.721 11.201 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 63 14.403 10.376 -7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.311 11.818 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.606 11.535 -5.979 1.00 0.00 H new ATOM 0 HG LEU A 63 13.214 9.654 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.506 9.474 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.400 9.069 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.045 10.648 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.031 11.268 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.513 12.406 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.792 12.034 -3.712 1.00 0.00 H new ATOM 958 N LYS A 64 12.505 7.992 -6.766 1.00 0.00 N ATOM 959 CA LYS A 64 12.524 6.551 -6.556 1.00 0.00 C ATOM 960 C LYS A 64 12.960 5.807 -7.825 1.00 0.00 C ATOM 961 O LYS A 64 13.996 5.145 -7.781 1.00 0.00 O ATOM 962 CB LYS A 64 11.219 6.049 -5.922 1.00 0.00 C ATOM 963 CG LYS A 64 11.253 4.534 -5.652 1.00 0.00 C ATOM 964 CD LYS A 64 10.573 3.693 -6.740 1.00 0.00 C ATOM 965 CE LYS A 64 10.633 2.211 -6.353 1.00 0.00 C ATOM 966 NZ LYS A 64 10.071 1.354 -7.411 1.00 0.00 N ATOM 0 H LYS A 64 11.592 8.427 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 64 13.290 6.316 -5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.043 6.580 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.383 6.281 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.291 4.215 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.768 4.334 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.536 4.006 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.068 3.850 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.667 1.925 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.083 2.054 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.939 0.390 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.154 1.737 -7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.723 1.329 -8.221 1.00 0.00 H new ATOM 980 N PRO A 65 12.236 5.889 -8.956 1.00 0.00 N ATOM 981 CA PRO A 65 12.663 5.224 -10.178 1.00 0.00 C ATOM 982 C PRO A 65 14.057 5.688 -10.620 1.00 0.00 C ATOM 983 O PRO A 65 14.854 4.868 -11.062 1.00 0.00 O ATOM 984 CB PRO A 65 11.572 5.476 -11.223 1.00 0.00 C ATOM 985 CG PRO A 65 10.787 6.667 -10.677 1.00 0.00 C ATOM 986 CD PRO A 65 10.956 6.548 -9.161 1.00 0.00 C ATOM 0 HA PRO A 65 12.776 4.151 -10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.002 5.698 -12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.932 4.602 -11.347 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.181 7.612 -11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.737 6.622 -10.968 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.941 7.530 -8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.143 5.970 -8.721 1.00 0.00 H new ATOM 994 N LEU A 66 14.376 6.977 -10.472 1.00 0.00 N ATOM 995 CA LEU A 66 15.703 7.519 -10.750 1.00 0.00 C ATOM 996 C LEU A 66 16.794 6.762 -9.973 1.00 0.00 C ATOM 997 O LEU A 66 17.737 6.233 -10.571 1.00 0.00 O ATOM 998 CB LEU A 66 15.649 9.030 -10.460 1.00 0.00 C ATOM 999 CG LEU A 66 16.979 9.796 -10.472 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.824 11.124 -11.223 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.402 10.126 -9.040 1.00 0.00 C ATOM 0 H LEU A 66 13.710 7.680 -10.152 1.00 0.00 H new ATOM 0 HA LEU A 66 15.981 7.379 -11.795 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.987 9.491 -11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.188 9.170 -9.482 1.00 0.00 H new ATOM 0 HG LEU A 66 17.723 9.168 -10.962 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.776 11.655 -11.223 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.519 10.927 -12.251 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.067 11.735 -10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.347 10.670 -9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.637 10.742 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.524 9.202 -8.475 1.00 0.00 H new ATOM 1013 N LEU A 67 16.683 6.673 -8.646 1.00 0.00 N ATOM 1014 CA LEU A 67 17.658 5.957 -7.839 1.00 0.00 C ATOM 1015 C LEU A 67 17.611 4.458 -8.116 1.00 0.00 C ATOM 1016 O LEU A 67 18.647 3.802 -8.125 1.00 0.00 O ATOM 1017 CB LEU A 67 17.428 6.224 -6.351 1.00 0.00 C ATOM 1018 CG LEU A 67 17.827 7.624 -5.863 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.833 7.633 -4.337 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.212 8.098 -6.325 1.00 0.00 C ATOM 0 H LEU A 67 15.922 7.092 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 67 18.647 6.324 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.372 6.068 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.986 5.485 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 67 17.092 8.303 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.115 8.623 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.838 7.384 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.550 6.898 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.405 9.096 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.973 7.410 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.243 8.126 -7.414 1.00 0.00 H new ATOM 1032 N GLU A 68 16.426 3.893 -8.335 1.00 0.00 N ATOM 1033 CA GLU A 68 16.286 2.482 -8.656 1.00 0.00 C ATOM 1034 C GLU A 68 17.083 2.171 -9.926 1.00 0.00 C ATOM 1035 O GLU A 68 17.868 1.222 -9.959 1.00 0.00 O ATOM 1036 CB GLU A 68 14.796 2.151 -8.786 1.00 0.00 C ATOM 1037 CG GLU A 68 14.518 0.646 -8.883 1.00 0.00 C ATOM 1038 CD GLU A 68 13.026 0.361 -8.736 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.239 1.076 -9.396 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.693 -0.548 -7.946 1.00 0.00 O ATOM 0 H GLU A 68 15.542 4.401 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 68 16.692 1.853 -7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.264 2.558 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.396 2.646 -9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.873 0.267 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.072 0.118 -8.107 1.00 0.00 H new ATOM 1047 N LYS A 69 16.911 2.997 -10.960 1.00 0.00 N ATOM 1048 CA LYS A 69 17.659 2.891 -12.199 1.00 0.00 C ATOM 1049 C LYS A 69 19.153 3.083 -11.929 1.00 0.00 C ATOM 1050 O LYS A 69 19.957 2.309 -12.445 1.00 0.00 O ATOM 1051 CB LYS A 69 17.086 3.875 -13.225 1.00 0.00 C ATOM 1052 CG LYS A 69 17.918 3.940 -14.512 1.00 0.00 C ATOM 1053 CD LYS A 69 17.219 4.830 -15.547 1.00 0.00 C ATOM 1054 CE LYS A 69 18.115 5.092 -16.764 1.00 0.00 C ATOM 1055 NZ LYS A 69 18.473 3.846 -17.465 1.00 0.00 N ATOM 0 H LYS A 69 16.239 3.764 -10.953 1.00 0.00 H new ATOM 0 HA LYS A 69 17.556 1.894 -12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.065 3.583 -13.472 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.035 4.869 -12.780 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.910 4.334 -14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.055 2.937 -14.917 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.294 4.354 -15.872 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.944 5.779 -15.086 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.602 5.762 -17.454 1.00 0.00 H new ATOM 0 HE3 LYS A 69 19.024 5.601 -16.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.993 4.075 -18.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.072 3.260 -16.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.607 3.322 -17.706 1.00 0.00 H new ATOM 1069 N TRP A 70 19.539 4.073 -11.111 1.00 0.00 N ATOM 1070 CA TRP A 70 20.936 4.231 -10.710 1.00 0.00 C ATOM 1071 C TRP A 70 21.484 2.919 -10.141 1.00 0.00 C ATOM 1072 O TRP A 70 22.560 2.467 -10.523 1.00 0.00 O ATOM 1073 CB TRP A 70 21.107 5.364 -9.686 1.00 0.00 C ATOM 1074 CG TRP A 70 22.529 5.612 -9.280 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.346 6.532 -9.830 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.341 4.896 -8.297 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.605 6.422 -9.278 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.671 5.409 -8.342 1.00 0.00 C ATOM 1079 CE3 TRP A 70 23.089 3.863 -7.372 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.702 4.892 -7.540 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 24.115 3.324 -6.575 1.00 0.00 C ATOM 1082 CH2 TRP A 70 25.423 3.822 -6.673 1.00 0.00 C ATOM 0 H TRP A 70 18.905 4.769 -10.719 1.00 0.00 H new ATOM 0 HA TRP A 70 21.504 4.497 -11.602 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.694 6.282 -10.104 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.522 5.127 -8.797 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.059 7.246 -10.587 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.393 7.018 -9.531 1.00 0.00 H new ATOM 0 HE3 TRP A 70 22.085 3.477 -7.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.696 5.311 -7.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.895 2.523 -5.885 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.214 3.384 -6.083 1.00 0.00 H new ATOM 1093 N LEU A 71 20.746 2.314 -9.212 1.00 0.00 N ATOM 1094 CA LEU A 71 21.164 1.110 -8.512 1.00 0.00 C ATOM 1095 C LEU A 71 21.311 -0.037 -9.515 1.00 0.00 C ATOM 1096 O LEU A 71 22.337 -0.716 -9.548 1.00 0.00 O ATOM 1097 CB LEU A 71 20.153 0.814 -7.393 1.00 0.00 C ATOM 1098 CG LEU A 71 20.777 0.186 -6.138 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.651 -0.035 -5.117 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.424 -1.167 -6.453 1.00 0.00 C ATOM 0 H LEU A 71 19.829 2.654 -8.923 1.00 0.00 H new ATOM 0 HA LEU A 71 22.139 1.241 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.654 1.742 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.385 0.143 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 71 21.549 0.851 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.063 -0.481 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.189 0.921 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.901 -0.702 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.856 -1.584 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.669 -1.850 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.208 -1.031 -7.198 1.00 0.00 H new ATOM 1112 N ASN A 72 20.299 -0.226 -10.366 1.00 0.00 N ATOM 1113 CA ASN A 72 20.335 -1.233 -11.423 1.00 0.00 C ATOM 1114 C ASN A 72 21.549 -1.021 -12.329 1.00 0.00 C ATOM 1115 O ASN A 72 22.243 -1.976 -12.658 1.00 0.00 O ATOM 1116 CB ASN A 72 19.036 -1.227 -12.241 1.00 0.00 C ATOM 1117 CG ASN A 72 17.924 -2.023 -11.563 1.00 0.00 C ATOM 1118 OD1 ASN A 72 17.642 -3.152 -11.946 1.00 0.00 O ATOM 1119 ND2 ASN A 72 17.272 -1.452 -10.555 1.00 0.00 N ATOM 0 H ASN A 72 19.435 0.315 -10.340 1.00 0.00 H new ATOM 0 HA ASN A 72 20.426 -2.211 -10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.706 -0.199 -12.388 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.229 -1.645 -13.229 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.520 -1.955 -10.084 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.524 -0.511 -10.253 1.00 0.00 H new ATOM 1126 N ASP A 73 21.812 0.226 -12.730 1.00 0.00 N ATOM 1127 CA ASP A 73 22.972 0.570 -13.542 1.00 0.00 C ATOM 1128 C ASP A 73 24.273 0.218 -12.812 1.00 0.00 C ATOM 1129 O ASP A 73 25.166 -0.388 -13.397 1.00 0.00 O ATOM 1130 CB ASP A 73 22.923 2.059 -13.910 1.00 0.00 C ATOM 1131 CG ASP A 73 24.147 2.474 -14.719 1.00 0.00 C ATOM 1132 OD1 ASP A 73 24.117 2.250 -15.948 1.00 0.00 O ATOM 1133 OD2 ASP A 73 25.084 3.016 -14.094 1.00 0.00 O ATOM 0 H ASP A 73 21.222 1.025 -12.497 1.00 0.00 H new ATOM 0 HA ASP A 73 22.948 -0.015 -14.462 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.019 2.264 -14.484 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.866 2.658 -13.001 1.00 0.00 H new ATOM 1138 N ALA A 74 24.378 0.606 -11.539 1.00 0.00 N ATOM 1139 CA ALA A 74 25.552 0.351 -10.716 1.00 0.00 C ATOM 1140 C ALA A 74 25.823 -1.152 -10.597 1.00 0.00 C ATOM 1141 O ALA A 74 26.965 -1.585 -10.726 1.00 0.00 O ATOM 1142 CB ALA A 74 25.372 0.999 -9.339 1.00 0.00 C ATOM 0 H ALA A 74 23.639 1.111 -11.050 1.00 0.00 H new ATOM 0 HA ALA A 74 26.423 0.798 -11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.253 0.805 -8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.242 2.075 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.492 0.579 -8.851 1.00 0.00 H new ATOM 1148 N GLU A 75 24.777 -1.946 -10.341 1.00 0.00 N ATOM 1149 CA GLU A 75 24.848 -3.402 -10.271 1.00 0.00 C ATOM 1150 C GLU A 75 26.036 -3.860 -9.420 1.00 0.00 C ATOM 1151 O GLU A 75 25.950 -3.889 -8.191 1.00 0.00 O ATOM 1152 CB GLU A 75 24.901 -3.988 -11.694 1.00 0.00 C ATOM 1153 CG GLU A 75 24.956 -5.522 -11.735 1.00 0.00 C ATOM 1154 CD GLU A 75 23.765 -6.166 -11.031 1.00 0.00 C ATOM 1155 OE1 GLU A 75 22.733 -6.357 -11.710 1.00 0.00 O ATOM 1156 OE2 GLU A 75 23.913 -6.450 -9.823 1.00 0.00 O ATOM 0 H GLU A 75 23.839 -1.582 -10.174 1.00 0.00 H new ATOM 0 HA GLU A 75 23.950 -3.777 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.025 -3.651 -12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 75 25.776 -3.589 -12.208 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.984 -5.854 -12.773 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.879 -5.862 -11.266 1.00 0.00 H new TER 1163 GLU A 75