USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 605 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 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0363) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc=-0.00118 K(o=-0.0012,f=-3.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -132:sc= 0.0478 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.659 K(o=-0.66,f=-5.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 89:sc= 0.202 USER MOD Single : A 29 ASN : amide:sc= -20.9! C(o=-21!,f=-26!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -158:sc= -1.82! USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= -0.259 (180deg=-1.15!) USER MOD Single : A 46 TYR OH : rot -176:sc= -2.99! USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.0429 (180deg=-0.441) USER MOD Single : A 49 GLN : amide:sc= -3.65 K(o=-3.7,f=-7.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0.428 (180deg=0.402) USER MOD Single : A 58 ASN : amide:sc= -1 K(o=-1,f=-4.5!) USER MOD Single : A 61 THR OG1 : rot -80:sc= 1.1 USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.0413 (180deg=-0.275) USER MOD Single : A 68 ASN : amide:sc= -0.0455 K(o=-0.046,f=-0.59) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -23.233 0.865 -2.719 1.00 0.00 N ATOM 2 CA LEU A 1 -23.709 -0.054 -1.653 1.00 0.00 C ATOM 3 C LEU A 1 -23.428 -1.509 -2.016 1.00 0.00 C ATOM 4 O LEU A 1 -24.132 -2.104 -2.834 1.00 0.00 O ATOM 5 CB LEU A 1 -25.213 0.161 -1.460 1.00 0.00 C ATOM 6 CG LEU A 1 -25.589 1.384 -0.622 1.00 0.00 C ATOM 7 CD1 LEU A 1 -26.918 1.960 -1.085 1.00 0.00 C ATOM 8 CD2 LEU A 1 -25.648 1.019 0.854 1.00 0.00 C ATOM 0 H1 LEU A 1 -23.437 1.848 -2.446 1.00 0.00 H new ATOM 0 H2 LEU A 1 -22.208 0.747 -2.847 1.00 0.00 H new ATOM 0 H3 LEU A 1 -23.721 0.645 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 1 -23.176 0.163 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -25.680 0.254 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -25.634 -0.727 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 1 -24.821 2.145 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -27.169 2.829 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -26.841 2.258 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -27.698 1.206 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -25.917 1.900 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -26.396 0.241 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -24.673 0.654 1.178 1.00 0.00 H new ATOM 22 N LYS A 2 -22.397 -2.078 -1.402 1.00 0.00 N ATOM 23 CA LYS A 2 -22.022 -3.465 -1.659 1.00 0.00 C ATOM 24 C LYS A 2 -22.399 -4.356 -0.481 1.00 0.00 C ATOM 25 O LYS A 2 -21.753 -4.327 0.565 1.00 0.00 O ATOM 26 CB LYS A 2 -20.521 -3.567 -1.932 1.00 0.00 C ATOM 27 CG LYS A 2 -20.149 -3.339 -3.388 1.00 0.00 C ATOM 28 CD LYS A 2 -20.746 -4.409 -4.291 1.00 0.00 C ATOM 29 CE LYS A 2 -21.935 -3.880 -5.075 1.00 0.00 C ATOM 30 NZ LYS A 2 -22.857 -4.974 -5.493 1.00 0.00 N ATOM 0 H LYS A 2 -21.805 -1.601 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 2 -22.567 -3.807 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -19.998 -2.838 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.171 -4.553 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.500 -2.357 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.064 -3.338 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -19.984 -4.768 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.057 -5.262 -3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.480 -3.159 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.580 -3.348 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.655 -4.571 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.344 -5.649 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.216 -5.466 -4.650 1.00 0.00 H new ATOM 44 N LYS A 3 -23.450 -5.152 -0.659 1.00 0.00 N ATOM 45 CA LYS A 3 -23.912 -6.052 0.389 1.00 0.00 C ATOM 46 C LYS A 3 -23.428 -7.477 0.135 1.00 0.00 C ATOM 47 O LYS A 3 -24.105 -8.445 0.483 1.00 0.00 O ATOM 48 CB LYS A 3 -25.440 -6.029 0.474 1.00 0.00 C ATOM 49 CG LYS A 3 -26.127 -6.410 -0.828 1.00 0.00 C ATOM 50 CD LYS A 3 -27.639 -6.420 -0.676 1.00 0.00 C ATOM 51 CE LYS A 3 -28.146 -7.786 -0.244 1.00 0.00 C ATOM 52 NZ LYS A 3 -28.130 -8.765 -1.366 1.00 0.00 N ATOM 0 H LYS A 3 -23.996 -5.191 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.497 -5.709 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -25.762 -6.713 1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -25.764 -5.031 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -25.843 -5.706 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -25.785 -7.395 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.937 -5.671 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -28.103 -6.141 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -27.529 -8.160 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -29.161 -7.691 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -28.651 -9.621 -1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -28.581 -8.342 -2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -27.147 -9.017 -1.593 1.00 0.00 H new ATOM 66 N THR A 4 -22.253 -7.597 -0.474 1.00 0.00 N ATOM 67 CA THR A 4 -21.679 -8.902 -0.775 1.00 0.00 C ATOM 68 C THR A 4 -21.119 -9.555 0.485 1.00 0.00 C ATOM 69 O THR A 4 -20.997 -8.911 1.528 1.00 0.00 O ATOM 70 CB THR A 4 -20.575 -8.767 -1.827 1.00 0.00 C ATOM 71 OG1 THR A 4 -19.538 -7.923 -1.358 1.00 0.00 O ATOM 72 CG2 THR A 4 -21.067 -8.203 -3.140 1.00 0.00 C ATOM 0 H THR A 4 -21.680 -6.806 -0.768 1.00 0.00 H new ATOM 0 HA THR A 4 -22.472 -9.537 -1.170 1.00 0.00 H new ATOM 0 HB THR A 4 -20.213 -9.781 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.841 -7.850 -2.043 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.235 -8.133 -3.841 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.835 -8.858 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 4 -21.486 -7.211 -2.975 1.00 0.00 H new ATOM 80 N SER A 5 -20.782 -10.836 0.382 1.00 0.00 N ATOM 81 CA SER A 5 -20.236 -11.578 1.513 1.00 0.00 C ATOM 82 C SER A 5 -18.811 -12.039 1.223 1.00 0.00 C ATOM 83 O SER A 5 -18.418 -13.145 1.598 1.00 0.00 O ATOM 84 CB SER A 5 -21.120 -12.783 1.834 1.00 0.00 C ATOM 85 OG SER A 5 -21.245 -13.639 0.712 1.00 0.00 O ATOM 0 H SER A 5 -20.877 -11.383 -0.474 1.00 0.00 H new ATOM 0 HA SER A 5 -20.215 -10.913 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.695 -13.336 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.107 -12.441 2.146 1.00 0.00 H new ATOM 0 HG SER A 5 -21.814 -14.402 0.945 1.00 0.00 H new ATOM 91 N SER A 6 -18.042 -11.186 0.556 1.00 0.00 N ATOM 92 CA SER A 6 -16.660 -11.508 0.217 1.00 0.00 C ATOM 93 C SER A 6 -15.688 -10.690 1.062 1.00 0.00 C ATOM 94 O SER A 6 -15.874 -9.488 1.250 1.00 0.00 O ATOM 95 CB SER A 6 -16.404 -11.248 -1.269 1.00 0.00 C ATOM 96 OG SER A 6 -15.104 -11.671 -1.644 1.00 0.00 O ATOM 0 H SER A 6 -18.351 -10.267 0.239 1.00 0.00 H new ATOM 0 HA SER A 6 -16.497 -12.565 0.428 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.148 -11.774 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.519 -10.185 -1.481 1.00 0.00 H new ATOM 0 HG SER A 6 -14.966 -11.496 -2.598 1.00 0.00 H new ATOM 102 N SER A 7 -14.652 -11.351 1.567 1.00 0.00 N ATOM 103 CA SER A 7 -13.649 -10.685 2.391 1.00 0.00 C ATOM 104 C SER A 7 -12.702 -9.854 1.533 1.00 0.00 C ATOM 105 O SER A 7 -12.709 -9.958 0.305 1.00 0.00 O ATOM 106 CB SER A 7 -12.857 -11.716 3.198 1.00 0.00 C ATOM 107 OG SER A 7 -13.691 -12.390 4.124 1.00 0.00 O ATOM 0 H SER A 7 -14.485 -12.346 1.421 1.00 0.00 H new ATOM 0 HA SER A 7 -14.166 -10.015 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.401 -12.439 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.045 -11.220 3.730 1.00 0.00 H new ATOM 0 HG SER A 7 -13.161 -13.044 4.626 1.00 0.00 H new ATOM 113 N GLY A 8 -11.884 -9.034 2.184 1.00 0.00 N ATOM 114 CA GLY A 8 -10.942 -8.198 1.464 1.00 0.00 C ATOM 115 C GLY A 8 -10.438 -7.036 2.297 1.00 0.00 C ATOM 116 O GLY A 8 -10.948 -6.783 3.388 1.00 0.00 O ATOM 0 H GLY A 8 -11.857 -8.934 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.095 -8.805 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.419 -7.814 0.562 1.00 0.00 H new ATOM 120 N LEU A 9 -9.440 -6.328 1.780 1.00 0.00 N ATOM 121 CA LEU A 9 -8.872 -5.186 2.477 1.00 0.00 C ATOM 122 C LEU A 9 -8.486 -4.111 1.481 1.00 0.00 C ATOM 123 O LEU A 9 -7.982 -4.410 0.400 1.00 0.00 O ATOM 124 CB LEU A 9 -7.653 -5.609 3.299 1.00 0.00 C ATOM 125 CG LEU A 9 -7.946 -6.587 4.439 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.652 -7.142 5.013 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.766 -5.906 5.526 1.00 0.00 C ATOM 0 H LEU A 9 -9.008 -6.528 0.878 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.623 -4.785 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.923 -6.064 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.189 -4.716 3.718 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.527 -7.418 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.881 -7.835 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.102 -7.666 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.044 -6.323 5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.966 -6.615 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.210 -5.056 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.710 -5.558 5.106 1.00 0.00 H new ATOM 139 N TYR A 10 -8.714 -2.863 1.849 1.00 0.00 N ATOM 140 CA TYR A 10 -8.377 -1.755 0.979 1.00 0.00 C ATOM 141 C TYR A 10 -7.077 -1.116 1.433 1.00 0.00 C ATOM 142 O TYR A 10 -7.029 -0.426 2.452 1.00 0.00 O ATOM 143 CB TYR A 10 -9.510 -0.733 0.959 1.00 0.00 C ATOM 144 CG TYR A 10 -10.859 -1.352 0.660 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.164 -1.805 -0.613 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.821 -1.485 1.652 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.392 -2.374 -0.894 1.00 0.00 C ATOM 148 CE2 TYR A 10 -13.050 -2.053 1.381 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.332 -2.497 0.107 1.00 0.00 C ATOM 150 OH TYR A 10 -14.555 -3.063 -0.169 1.00 0.00 O ATOM 0 H TYR A 10 -9.129 -2.594 2.741 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.241 -2.128 -0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.554 -0.228 1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.292 0.029 0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.430 -1.712 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.605 -1.139 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.614 -2.720 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.787 -2.149 2.164 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.101 -3.076 0.645 1.00 0.00 H new ATOM 160 N LYS A 11 -6.025 -1.349 0.663 1.00 0.00 N ATOM 161 CA LYS A 11 -4.712 -0.793 0.978 1.00 0.00 C ATOM 162 C LYS A 11 -4.162 -0.021 -0.215 1.00 0.00 C ATOM 163 O LYS A 11 -4.537 -0.286 -1.358 1.00 0.00 O ATOM 164 CB LYS A 11 -3.742 -1.909 1.370 1.00 0.00 C ATOM 165 CG LYS A 11 -4.339 -2.937 2.317 1.00 0.00 C ATOM 166 CD LYS A 11 -3.653 -4.286 2.178 1.00 0.00 C ATOM 167 CE LYS A 11 -4.208 -5.299 3.167 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.321 -5.463 4.350 1.00 0.00 N ATOM 0 H LYS A 11 -6.052 -1.918 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.821 -0.109 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.402 -2.415 0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.863 -1.466 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.246 -2.584 3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.404 -3.046 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.784 -4.659 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.581 -4.169 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.197 -4.981 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.332 -6.261 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.735 -6.162 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.385 -5.791 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.223 -4.551 4.839 1.00 0.00 H new ATOM 182 N VAL A 12 -3.269 0.932 0.046 1.00 0.00 N ATOM 183 CA VAL A 12 -2.685 1.720 -1.034 1.00 0.00 C ATOM 184 C VAL A 12 -1.217 1.339 -1.232 1.00 0.00 C ATOM 185 O VAL A 12 -0.492 1.150 -0.264 1.00 0.00 O ATOM 186 CB VAL A 12 -2.798 3.251 -0.788 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.232 3.964 -2.054 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.774 3.588 0.331 1.00 0.00 C ATOM 0 H VAL A 12 -2.939 1.174 0.980 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.255 1.491 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.807 3.591 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.305 5.034 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.499 3.786 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.204 3.585 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.817 4.669 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.765 3.214 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.440 3.122 1.258 1.00 0.00 H new ATOM 198 N GLN A 13 -0.789 1.209 -2.486 1.00 0.00 N ATOM 199 CA GLN A 13 0.597 0.833 -2.785 1.00 0.00 C ATOM 200 C GLN A 13 1.235 1.801 -3.775 1.00 0.00 C ATOM 201 O GLN A 13 0.630 2.154 -4.786 1.00 0.00 O ATOM 202 CB GLN A 13 0.649 -0.592 -3.341 1.00 0.00 C ATOM 203 CG GLN A 13 2.048 -1.188 -3.354 1.00 0.00 C ATOM 204 CD GLN A 13 2.366 -1.906 -4.652 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.887 -1.308 -5.592 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.050 -3.195 -4.707 1.00 0.00 N ATOM 0 H GLN A 13 -1.375 1.357 -3.308 1.00 0.00 H new ATOM 0 HA GLN A 13 1.163 0.879 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.003 -1.230 -2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.253 -0.592 -4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.778 -0.395 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.149 -1.886 -2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.619 -3.649 -3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.238 -3.731 -5.554 1.00 0.00 H new ATOM 215 N ILE A 14 2.457 2.240 -3.472 1.00 0.00 N ATOM 216 CA ILE A 14 3.157 3.185 -4.338 1.00 0.00 C ATOM 217 C ILE A 14 4.165 2.513 -5.270 1.00 0.00 C ATOM 218 O ILE A 14 4.731 3.176 -6.141 1.00 0.00 O ATOM 219 CB ILE A 14 3.877 4.283 -3.533 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.661 3.661 -2.375 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.877 5.316 -3.032 1.00 0.00 C ATOM 222 CD1 ILE A 14 3.910 3.649 -1.067 1.00 0.00 C ATOM 0 H ILE A 14 2.977 1.959 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 14 2.375 3.636 -4.949 1.00 0.00 H new ATOM 0 HB ILE A 14 4.586 4.794 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.929 2.638 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.593 4.211 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.402 6.085 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.370 5.774 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.142 4.830 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.530 3.193 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.665 4.671 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.991 3.074 -1.180 1.00 0.00 H new ATOM 234 N GLY A 15 4.383 1.203 -5.125 1.00 0.00 N ATOM 235 CA GLY A 15 5.315 0.537 -6.026 1.00 0.00 C ATOM 236 C GLY A 15 6.015 -0.674 -5.437 1.00 0.00 C ATOM 237 O GLY A 15 5.772 -1.061 -4.295 1.00 0.00 O ATOM 0 H GLY A 15 3.946 0.607 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.775 0.227 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.070 1.257 -6.342 1.00 0.00 H new ATOM 241 N ALA A 16 6.923 -1.242 -6.234 1.00 0.00 N ATOM 242 CA ALA A 16 7.727 -2.391 -5.832 1.00 0.00 C ATOM 243 C ALA A 16 9.056 -2.373 -6.591 1.00 0.00 C ATOM 244 O ALA A 16 9.099 -1.967 -7.752 1.00 0.00 O ATOM 245 CB ALA A 16 6.974 -3.700 -6.065 1.00 0.00 C ATOM 0 H ALA A 16 7.120 -0.914 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 16 7.930 -2.325 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.598 -4.539 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.053 -3.699 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.733 -3.798 -7.124 1.00 0.00 H new ATOM 251 N PHE A 17 10.139 -2.798 -5.945 1.00 0.00 N ATOM 252 CA PHE A 17 11.451 -2.807 -6.590 1.00 0.00 C ATOM 253 C PHE A 17 12.361 -3.871 -5.991 1.00 0.00 C ATOM 254 O PHE A 17 12.358 -4.097 -4.784 1.00 0.00 O ATOM 255 CB PHE A 17 12.119 -1.436 -6.462 1.00 0.00 C ATOM 256 CG PHE A 17 11.198 -0.287 -6.747 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.973 0.131 -8.047 1.00 0.00 C ATOM 258 CD2 PHE A 17 10.564 0.378 -5.711 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.126 1.190 -8.312 1.00 0.00 C ATOM 260 CE2 PHE A 17 9.716 1.438 -5.971 1.00 0.00 C ATOM 261 CZ PHE A 17 9.499 1.845 -7.272 1.00 0.00 C ATOM 0 H PHE A 17 10.136 -3.138 -4.983 1.00 0.00 H new ATOM 0 HA PHE A 17 11.294 -3.040 -7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.518 -1.329 -5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 17 12.966 -1.389 -7.146 1.00 0.00 H new ATOM 0 HD1 PHE A 17 11.465 -0.376 -8.864 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.734 0.066 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.955 1.504 -9.331 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.223 1.948 -5.156 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.839 2.675 -7.476 1.00 0.00 H new ATOM 271 N LYS A 18 13.148 -4.514 -6.846 1.00 0.00 N ATOM 272 CA LYS A 18 14.075 -5.556 -6.411 1.00 0.00 C ATOM 273 C LYS A 18 14.989 -5.072 -5.283 1.00 0.00 C ATOM 274 O LYS A 18 15.632 -5.880 -4.612 1.00 0.00 O ATOM 275 CB LYS A 18 14.922 -6.032 -7.591 1.00 0.00 C ATOM 276 CG LYS A 18 15.903 -7.137 -7.232 1.00 0.00 C ATOM 277 CD LYS A 18 16.346 -7.915 -8.461 1.00 0.00 C ATOM 278 CE LYS A 18 15.762 -9.320 -8.472 1.00 0.00 C ATOM 279 NZ LYS A 18 15.375 -9.749 -9.844 1.00 0.00 N ATOM 0 H LYS A 18 13.163 -4.332 -7.849 1.00 0.00 H new ATOM 0 HA LYS A 18 13.479 -6.384 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.261 -6.388 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.475 -5.184 -7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.775 -6.705 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.440 -7.818 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.035 -7.384 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.434 -7.972 -8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.492 -10.020 -8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.889 -9.355 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.982 -10.711 -9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.660 -9.096 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.213 -9.740 -10.460 1.00 0.00 H new ATOM 293 N VAL A 19 15.058 -3.758 -5.078 1.00 0.00 N ATOM 294 CA VAL A 19 15.914 -3.200 -4.038 1.00 0.00 C ATOM 295 C VAL A 19 15.110 -2.675 -2.850 1.00 0.00 C ATOM 296 O VAL A 19 14.244 -1.815 -3.000 1.00 0.00 O ATOM 297 CB VAL A 19 16.784 -2.057 -4.587 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.816 -1.625 -3.555 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.461 -2.475 -5.884 1.00 0.00 C ATOM 0 H VAL A 19 14.535 -3.066 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 19 16.550 -4.018 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 19 16.138 -1.205 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.421 -0.816 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.308 -1.280 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.459 -2.470 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.072 -1.653 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.094 -3.343 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.703 -2.729 -6.625 1.00 0.00 H new ATOM 309 N LYS A 20 15.423 -3.198 -1.667 1.00 0.00 N ATOM 310 CA LYS A 20 14.761 -2.792 -0.440 1.00 0.00 C ATOM 311 C LYS A 20 15.111 -1.352 -0.106 1.00 0.00 C ATOM 312 O LYS A 20 14.250 -0.578 0.301 1.00 0.00 O ATOM 313 CB LYS A 20 15.170 -3.709 0.714 1.00 0.00 C ATOM 314 CG LYS A 20 14.494 -3.365 2.034 1.00 0.00 C ATOM 315 CD LYS A 20 15.507 -3.174 3.152 1.00 0.00 C ATOM 316 CE LYS A 20 15.697 -1.703 3.490 1.00 0.00 C ATOM 317 NZ LYS A 20 16.290 -1.517 4.842 1.00 0.00 N ATOM 0 H LYS A 20 16.140 -3.912 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 20 13.684 -2.870 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.931 -4.739 0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.251 -3.656 0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.907 -2.454 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.799 -4.160 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.175 -3.712 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.463 -3.606 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.342 -1.239 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.735 -1.192 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.744 -0.803 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.266 -2.419 5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.275 -1.198 4.748 1.00 0.00 H new ATOM 331 N ALA A 21 16.378 -0.988 -0.298 1.00 0.00 N ATOM 332 CA ALA A 21 16.820 0.374 -0.032 1.00 0.00 C ATOM 333 C ALA A 21 15.935 1.357 -0.785 1.00 0.00 C ATOM 334 O ALA A 21 15.669 2.466 -0.316 1.00 0.00 O ATOM 335 CB ALA A 21 18.279 0.551 -0.431 1.00 0.00 C ATOM 0 H ALA A 21 17.110 -1.614 -0.634 1.00 0.00 H new ATOM 0 HA ALA A 21 16.737 0.571 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.591 1.575 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.899 -0.139 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.393 0.344 -1.495 1.00 0.00 H new ATOM 341 N ASN A 22 15.454 0.918 -1.944 1.00 0.00 N ATOM 342 CA ASN A 22 14.567 1.730 -2.756 1.00 0.00 C ATOM 343 C ASN A 22 13.176 1.716 -2.146 1.00 0.00 C ATOM 344 O ASN A 22 12.440 2.701 -2.223 1.00 0.00 O ATOM 345 CB ASN A 22 14.521 1.205 -4.192 1.00 0.00 C ATOM 346 CG ASN A 22 15.699 1.678 -5.020 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.722 0.998 -5.110 1.00 0.00 O ATOM 348 ND2 ASN A 22 15.561 2.850 -5.628 1.00 0.00 N ATOM 0 H ASN A 22 15.667 0.002 -2.339 1.00 0.00 H new ATOM 0 HA ASN A 22 14.942 2.753 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.506 0.115 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.594 1.530 -4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.321 3.221 -6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.695 3.379 -5.525 1.00 0.00 H new ATOM 355 N ALA A 23 12.822 0.592 -1.521 1.00 0.00 N ATOM 356 CA ALA A 23 11.521 0.459 -0.877 1.00 0.00 C ATOM 357 C ALA A 23 11.493 1.194 0.465 1.00 0.00 C ATOM 358 O ALA A 23 10.425 1.470 1.011 1.00 0.00 O ATOM 359 CB ALA A 23 11.173 -1.009 -0.686 1.00 0.00 C ATOM 0 H ALA A 23 13.417 -0.234 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 23 10.774 0.915 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.199 -1.092 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.141 -1.505 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.929 -1.484 -0.061 1.00 0.00 H new ATOM 365 N ASP A 24 12.676 1.506 0.991 1.00 0.00 N ATOM 366 CA ASP A 24 12.794 2.205 2.266 1.00 0.00 C ATOM 367 C ASP A 24 12.674 3.711 2.062 1.00 0.00 C ATOM 368 O ASP A 24 12.052 4.409 2.861 1.00 0.00 O ATOM 369 CB ASP A 24 14.128 1.872 2.936 1.00 0.00 C ATOM 370 CG ASP A 24 14.012 1.786 4.446 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.898 2.848 5.093 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.034 0.657 4.980 1.00 0.00 O ATOM 0 H ASP A 24 13.569 1.284 0.551 1.00 0.00 H new ATOM 0 HA ASP A 24 11.983 1.874 2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.499 0.923 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.863 2.633 2.674 1.00 0.00 H new ATOM 377 N SER A 25 13.259 4.201 0.974 1.00 0.00 N ATOM 378 CA SER A 25 13.197 5.619 0.653 1.00 0.00 C ATOM 379 C SER A 25 11.796 5.977 0.176 1.00 0.00 C ATOM 380 O SER A 25 11.295 7.074 0.426 1.00 0.00 O ATOM 381 CB SER A 25 14.226 5.971 -0.424 1.00 0.00 C ATOM 382 OG SER A 25 14.206 7.356 -0.716 1.00 0.00 O ATOM 0 H SER A 25 13.780 3.637 0.302 1.00 0.00 H new ATOM 0 HA SER A 25 13.428 6.193 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.222 5.682 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.017 5.402 -1.330 1.00 0.00 H new ATOM 0 HG SER A 25 14.873 7.555 -1.406 1.00 0.00 H new ATOM 388 N LEU A 26 11.166 5.025 -0.504 1.00 0.00 N ATOM 389 CA LEU A 26 9.817 5.203 -1.019 1.00 0.00 C ATOM 390 C LEU A 26 8.817 5.311 0.129 1.00 0.00 C ATOM 391 O LEU A 26 8.091 6.301 0.250 1.00 0.00 O ATOM 392 CB LEU A 26 9.456 4.027 -1.929 1.00 0.00 C ATOM 393 CG LEU A 26 7.996 3.969 -2.380 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.529 5.328 -2.877 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.811 2.912 -3.456 1.00 0.00 C ATOM 0 H LEU A 26 11.575 4.114 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 26 9.776 6.127 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.090 4.067 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.694 3.100 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 26 7.385 3.695 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.488 5.262 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.619 6.060 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.145 5.638 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.766 2.886 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.437 3.154 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.098 1.937 -3.062 1.00 0.00 H new ATOM 407 N ALA A 27 8.797 4.290 0.982 1.00 0.00 N ATOM 408 CA ALA A 27 7.900 4.275 2.132 1.00 0.00 C ATOM 409 C ALA A 27 8.135 5.507 2.997 1.00 0.00 C ATOM 410 O ALA A 27 7.205 6.048 3.599 1.00 0.00 O ATOM 411 CB ALA A 27 8.103 3.002 2.942 1.00 0.00 C ATOM 0 H ALA A 27 9.390 3.465 0.898 1.00 0.00 H new ATOM 0 HA ALA A 27 6.870 4.295 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.427 3.003 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.893 2.135 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.134 2.955 3.294 1.00 0.00 H new ATOM 417 N SER A 28 9.387 5.945 3.044 1.00 0.00 N ATOM 418 CA SER A 28 9.760 7.117 3.823 1.00 0.00 C ATOM 419 C SER A 28 9.025 8.351 3.312 1.00 0.00 C ATOM 420 O SER A 28 8.557 9.180 4.096 1.00 0.00 O ATOM 421 CB SER A 28 11.272 7.343 3.756 1.00 0.00 C ATOM 422 OG SER A 28 11.935 6.673 4.814 1.00 0.00 O ATOM 0 H SER A 28 10.163 5.504 2.550 1.00 0.00 H new ATOM 0 HA SER A 28 9.476 6.944 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.654 6.986 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.486 8.411 3.807 1.00 0.00 H new ATOM 0 HG SER A 28 12.157 5.760 4.535 1.00 0.00 H new ATOM 428 N ASN A 29 8.920 8.465 1.990 1.00 0.00 N ATOM 429 CA ASN A 29 8.233 9.597 1.382 1.00 0.00 C ATOM 430 C ASN A 29 6.774 9.626 1.811 1.00 0.00 C ATOM 431 O ASN A 29 6.235 10.682 2.143 1.00 0.00 O ATOM 432 CB ASN A 29 8.368 9.547 -0.150 1.00 0.00 C ATOM 433 CG ASN A 29 7.252 8.805 -0.868 1.00 0.00 C ATOM 434 OD1 ASN A 29 6.075 8.934 -0.535 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.616 8.037 -1.884 1.00 0.00 N ATOM 0 H ASN A 29 9.300 7.791 1.325 1.00 0.00 H new ATOM 0 HA ASN A 29 8.700 10.519 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.409 10.568 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.318 9.075 -0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.911 7.529 -2.418 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.602 7.953 -2.132 1.00 0.00 H new ATOM 442 N ALA A 30 6.140 8.460 1.810 1.00 0.00 N ATOM 443 CA ALA A 30 4.746 8.361 2.208 1.00 0.00 C ATOM 444 C ALA A 30 4.582 8.806 3.651 1.00 0.00 C ATOM 445 O ALA A 30 3.638 9.518 3.991 1.00 0.00 O ATOM 446 CB ALA A 30 4.242 6.941 2.027 1.00 0.00 C ATOM 0 H ALA A 30 6.569 7.575 1.539 1.00 0.00 H new ATOM 0 HA ALA A 30 4.153 9.018 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.196 6.885 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.332 6.654 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.835 6.263 2.642 1.00 0.00 H new ATOM 452 N GLU A 31 5.517 8.383 4.494 1.00 0.00 N ATOM 453 CA GLU A 31 5.487 8.745 5.906 1.00 0.00 C ATOM 454 C GLU A 31 5.430 10.260 6.058 1.00 0.00 C ATOM 455 O GLU A 31 4.770 10.786 6.955 1.00 0.00 O ATOM 456 CB GLU A 31 6.715 8.188 6.628 1.00 0.00 C ATOM 457 CG GLU A 31 6.672 8.374 8.136 1.00 0.00 C ATOM 458 CD GLU A 31 8.054 8.508 8.746 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.019 7.990 8.148 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.170 9.129 9.823 1.00 0.00 O ATOM 0 H GLU A 31 6.303 7.791 4.225 1.00 0.00 H new ATOM 0 HA GLU A 31 4.594 8.311 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.806 7.125 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.608 8.674 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.087 9.263 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.160 7.525 8.589 1.00 0.00 H new ATOM 467 N ALA A 32 6.121 10.954 5.158 1.00 0.00 N ATOM 468 CA ALA A 32 6.153 12.412 5.164 1.00 0.00 C ATOM 469 C ALA A 32 4.737 12.971 5.136 1.00 0.00 C ATOM 470 O ALA A 32 4.369 13.796 5.971 1.00 0.00 O ATOM 471 CB ALA A 32 6.957 12.930 3.980 1.00 0.00 C ATOM 0 H ALA A 32 6.669 10.526 4.412 1.00 0.00 H new ATOM 0 HA ALA A 32 6.638 12.747 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.971 14.020 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.978 12.553 4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.498 12.589 3.052 1.00 0.00 H new ATOM 477 N LYS A 33 3.937 12.498 4.182 1.00 0.00 N ATOM 478 CA LYS A 33 2.555 12.941 4.079 1.00 0.00 C ATOM 479 C LYS A 33 1.804 12.539 5.340 1.00 0.00 C ATOM 480 O LYS A 33 0.855 13.202 5.757 1.00 0.00 O ATOM 481 CB LYS A 33 1.881 12.331 2.850 1.00 0.00 C ATOM 482 CG LYS A 33 2.467 12.814 1.534 1.00 0.00 C ATOM 483 CD LYS A 33 2.170 14.286 1.296 1.00 0.00 C ATOM 484 CE LYS A 33 3.395 15.029 0.791 1.00 0.00 C ATOM 485 NZ LYS A 33 3.476 16.409 1.345 1.00 0.00 N ATOM 0 H LYS A 33 4.221 11.816 3.479 1.00 0.00 H new ATOM 0 HA LYS A 33 2.538 14.026 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.967 11.246 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.817 12.568 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.545 12.655 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.059 12.223 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.361 14.382 0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.823 14.742 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.293 14.475 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.368 15.076 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.326 16.882 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.631 16.946 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.528 16.364 2.383 1.00 0.00 H new ATOM 499 N GLY A 34 2.263 11.448 5.953 1.00 0.00 N ATOM 500 CA GLY A 34 1.660 10.966 7.172 1.00 0.00 C ATOM 501 C GLY A 34 0.901 9.670 6.978 1.00 0.00 C ATOM 502 O GLY A 34 -0.109 9.430 7.637 1.00 0.00 O ATOM 0 H GLY A 34 3.049 10.890 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.437 10.818 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.981 11.725 7.561 1.00 0.00 H new ATOM 506 N PHE A 35 1.394 8.831 6.074 1.00 0.00 N ATOM 507 CA PHE A 35 0.760 7.552 5.802 1.00 0.00 C ATOM 508 C PHE A 35 1.520 6.415 6.473 1.00 0.00 C ATOM 509 O PHE A 35 2.702 6.545 6.790 1.00 0.00 O ATOM 510 CB PHE A 35 0.691 7.319 4.295 1.00 0.00 C ATOM 511 CG PHE A 35 0.215 8.521 3.532 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.700 9.399 4.089 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.695 8.774 2.262 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.130 10.507 3.390 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.270 9.884 1.555 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.645 10.752 2.120 1.00 0.00 C ATOM 0 H PHE A 35 2.230 9.016 5.519 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.250 7.573 6.210 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.679 7.034 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.024 6.481 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.081 9.214 5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.410 8.098 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.845 11.183 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.653 10.072 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.980 11.619 1.570 1.00 0.00 H new ATOM 526 N ASP A 36 0.835 5.297 6.669 1.00 0.00 N ATOM 527 CA ASP A 36 1.450 4.131 7.285 1.00 0.00 C ATOM 528 C ASP A 36 2.140 3.292 6.221 1.00 0.00 C ATOM 529 O ASP A 36 1.512 2.449 5.581 1.00 0.00 O ATOM 530 CB ASP A 36 0.397 3.294 8.015 1.00 0.00 C ATOM 531 CG ASP A 36 0.936 2.670 9.287 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.824 3.280 9.918 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.470 1.570 9.652 1.00 0.00 O ATOM 0 H ASP A 36 -0.144 5.173 6.411 1.00 0.00 H new ATOM 0 HA ASP A 36 2.190 4.466 8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.460 3.923 8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.038 2.507 7.351 1.00 0.00 H new ATOM 538 N SER A 37 3.429 3.545 6.011 1.00 0.00 N ATOM 539 CA SER A 37 4.183 2.824 4.997 1.00 0.00 C ATOM 540 C SER A 37 4.626 1.462 5.502 1.00 0.00 C ATOM 541 O SER A 37 4.689 1.218 6.709 1.00 0.00 O ATOM 542 CB SER A 37 5.399 3.641 4.563 1.00 0.00 C ATOM 543 OG SER A 37 6.472 3.488 5.477 1.00 0.00 O ATOM 0 H SER A 37 3.968 4.240 6.527 1.00 0.00 H new ATOM 0 HA SER A 37 3.528 2.670 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.717 3.325 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.126 4.694 4.491 1.00 0.00 H new ATOM 0 HG SER A 37 7.084 4.249 5.394 1.00 0.00 H new ATOM 549 N ILE A 38 4.914 0.570 4.565 1.00 0.00 N ATOM 550 CA ILE A 38 5.328 -0.786 4.891 1.00 0.00 C ATOM 551 C ILE A 38 6.078 -1.412 3.718 1.00 0.00 C ATOM 552 O ILE A 38 5.724 -1.198 2.560 1.00 0.00 O ATOM 553 CB ILE A 38 4.099 -1.651 5.249 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.435 -3.145 5.187 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.942 -1.318 4.318 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.706 -3.974 6.223 1.00 0.00 C ATOM 0 H ILE A 38 4.868 0.764 3.565 1.00 0.00 H new ATOM 0 HA ILE A 38 5.995 -0.743 5.752 1.00 0.00 H new ATOM 0 HB ILE A 38 3.804 -1.424 6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.191 -3.523 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.509 -3.273 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.079 -1.932 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.683 -0.265 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.235 -1.519 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.993 -5.020 6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.969 -3.623 7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.630 -3.876 6.076 1.00 0.00 H new ATOM 568 N VAL A 39 7.117 -2.182 4.025 1.00 0.00 N ATOM 569 CA VAL A 39 7.913 -2.830 2.991 1.00 0.00 C ATOM 570 C VAL A 39 7.869 -4.349 3.121 1.00 0.00 C ATOM 571 O VAL A 39 8.343 -4.908 4.109 1.00 0.00 O ATOM 572 CB VAL A 39 9.381 -2.366 3.040 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.156 -2.914 1.851 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.458 -0.846 3.083 1.00 0.00 C ATOM 0 H VAL A 39 7.426 -2.372 4.978 1.00 0.00 H new ATOM 0 HA VAL A 39 7.476 -2.541 2.035 1.00 0.00 H new ATOM 0 HB VAL A 39 9.837 -2.756 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.191 -2.575 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.130 -4.004 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.704 -2.557 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.502 -0.535 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.986 -0.432 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.941 -0.480 3.970 1.00 0.00 H new ATOM 584 N LEU A 40 7.304 -5.012 2.115 1.00 0.00 N ATOM 585 CA LEU A 40 7.209 -6.468 2.117 1.00 0.00 C ATOM 586 C LEU A 40 8.163 -7.065 1.091 1.00 0.00 C ATOM 587 O LEU A 40 8.102 -6.736 -0.094 1.00 0.00 O ATOM 588 CB LEU A 40 5.769 -6.917 1.825 1.00 0.00 C ATOM 589 CG LEU A 40 5.625 -8.205 0.999 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.446 -9.337 1.606 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.160 -8.604 0.893 1.00 0.00 C ATOM 0 H LEU A 40 6.906 -4.564 1.290 1.00 0.00 H new ATOM 0 HA LEU A 40 7.490 -6.827 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.252 -7.057 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.257 -6.111 1.299 1.00 0.00 H new ATOM 0 HG LEU A 40 6.007 -8.012 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.327 -10.237 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.498 -9.052 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.101 -9.533 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.073 -9.518 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.756 -8.775 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.600 -7.805 0.407 1.00 0.00 H new ATOM 603 N LEU A 41 9.041 -7.946 1.549 1.00 0.00 N ATOM 604 CA LEU A 41 10.003 -8.587 0.668 1.00 0.00 C ATOM 605 C LEU A 41 9.347 -9.709 -0.134 1.00 0.00 C ATOM 606 O LEU A 41 9.015 -10.766 0.401 1.00 0.00 O ATOM 607 CB LEU A 41 11.196 -9.124 1.472 1.00 0.00 C ATOM 608 CG LEU A 41 11.963 -10.281 0.824 1.00 0.00 C ATOM 609 CD1 LEU A 41 12.305 -9.957 -0.623 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.226 -10.590 1.615 1.00 0.00 C ATOM 0 H LEU A 41 9.106 -8.232 2.526 1.00 0.00 H new ATOM 0 HA LEU A 41 10.369 -7.839 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.892 -8.304 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.836 -9.451 2.447 1.00 0.00 H new ATOM 0 HG LEU A 41 11.324 -11.164 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.849 -10.792 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.387 -9.786 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.924 -9.061 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.759 -11.414 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.866 -9.708 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.958 -10.869 2.634 1.00 0.00 H new ATOM 622 N LYS A 42 9.181 -9.461 -1.425 1.00 0.00 N ATOM 623 CA LYS A 42 8.585 -10.425 -2.338 1.00 0.00 C ATOM 624 C LYS A 42 9.671 -11.293 -2.956 1.00 0.00 C ATOM 625 O LYS A 42 10.851 -10.966 -2.861 1.00 0.00 O ATOM 626 CB LYS A 42 7.817 -9.701 -3.442 1.00 0.00 C ATOM 627 CG LYS A 42 7.014 -10.625 -4.339 1.00 0.00 C ATOM 628 CD LYS A 42 7.814 -11.027 -5.572 1.00 0.00 C ATOM 629 CE LYS A 42 7.616 -10.037 -6.706 1.00 0.00 C ATOM 630 NZ LYS A 42 6.178 -9.867 -7.052 1.00 0.00 N ATOM 0 H LYS A 42 9.456 -8.585 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 42 7.894 -11.056 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.142 -8.976 -2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.523 -9.139 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.726 -11.517 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.093 -10.129 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.872 -11.085 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.509 -12.022 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.037 -9.072 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.163 -10.378 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.090 -9.618 -8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.670 -10.756 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.768 -9.108 -6.471 1.00 0.00 H new ATOM 644 N ASP A 43 9.273 -12.397 -3.574 1.00 0.00 N ATOM 645 CA ASP A 43 10.224 -13.307 -4.197 1.00 0.00 C ATOM 646 C ASP A 43 11.016 -12.624 -5.313 1.00 0.00 C ATOM 647 O ASP A 43 10.896 -12.984 -6.483 1.00 0.00 O ATOM 648 CB ASP A 43 9.495 -14.535 -4.751 1.00 0.00 C ATOM 649 CG ASP A 43 10.362 -15.779 -4.729 1.00 0.00 C ATOM 650 OD1 ASP A 43 11.597 -15.645 -4.872 1.00 0.00 O ATOM 651 OD2 ASP A 43 9.808 -16.886 -4.571 1.00 0.00 O ATOM 0 H ASP A 43 8.298 -12.684 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 43 10.931 -13.619 -3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.593 -14.714 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.177 -14.335 -5.774 1.00 0.00 H new ATOM 656 N GLY A 44 11.837 -11.642 -4.940 1.00 0.00 N ATOM 657 CA GLY A 44 12.645 -10.939 -5.917 1.00 0.00 C ATOM 658 C GLY A 44 12.385 -9.442 -5.957 1.00 0.00 C ATOM 659 O GLY A 44 13.180 -8.694 -6.524 1.00 0.00 O ATOM 0 H GLY A 44 11.955 -11.323 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.698 -11.111 -5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.454 -11.359 -6.904 1.00 0.00 H new ATOM 663 N LEU A 45 11.275 -8.996 -5.370 1.00 0.00 N ATOM 664 CA LEU A 45 10.942 -7.571 -5.378 1.00 0.00 C ATOM 665 C LEU A 45 10.448 -7.079 -4.020 1.00 0.00 C ATOM 666 O LEU A 45 9.821 -7.813 -3.270 1.00 0.00 O ATOM 667 CB LEU A 45 9.869 -7.281 -6.432 1.00 0.00 C ATOM 668 CG LEU A 45 9.945 -8.143 -7.691 1.00 0.00 C ATOM 669 CD1 LEU A 45 8.835 -7.767 -8.663 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.310 -7.992 -8.348 1.00 0.00 C ATOM 0 H LEU A 45 10.600 -9.590 -4.889 1.00 0.00 H new ATOM 0 HA LEU A 45 11.862 -7.037 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.888 -7.417 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.942 -6.233 -6.723 1.00 0.00 H new ATOM 0 HG LEU A 45 9.810 -9.187 -7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.905 -8.391 -9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.867 -7.921 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.938 -6.719 -8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.353 -8.611 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.470 -6.949 -8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.086 -8.308 -7.651 1.00 0.00 H new ATOM 682 N TYR A 46 10.712 -5.813 -3.738 1.00 0.00 N ATOM 683 CA TYR A 46 10.275 -5.185 -2.497 1.00 0.00 C ATOM 684 C TYR A 46 9.150 -4.203 -2.799 1.00 0.00 C ATOM 685 O TYR A 46 9.296 -3.332 -3.649 1.00 0.00 O ATOM 686 CB TYR A 46 11.439 -4.464 -1.818 1.00 0.00 C ATOM 687 CG TYR A 46 12.314 -5.390 -1.012 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.151 -6.301 -1.641 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.288 -5.369 0.378 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.939 -7.163 -0.909 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.079 -6.228 1.116 1.00 0.00 C ATOM 692 CZ TYR A 46 13.902 -7.125 0.469 1.00 0.00 C ATOM 693 OH TYR A 46 14.687 -7.985 1.200 1.00 0.00 O ATOM 0 H TYR A 46 11.233 -5.193 -4.358 1.00 0.00 H new ATOM 0 HA TYR A 46 9.912 -5.956 -1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.045 -3.969 -2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.046 -3.685 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.185 -6.335 -2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.640 -4.671 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.584 -7.867 -1.414 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.053 -6.197 2.195 1.00 0.00 H new ATOM 0 HH TYR A 46 14.496 -7.871 2.154 1.00 0.00 H new ATOM 703 N LYS A 47 8.030 -4.350 -2.107 1.00 0.00 N ATOM 704 CA LYS A 47 6.884 -3.467 -2.331 1.00 0.00 C ATOM 705 C LYS A 47 6.704 -2.482 -1.195 1.00 0.00 C ATOM 706 O LYS A 47 7.017 -2.774 -0.042 1.00 0.00 O ATOM 707 CB LYS A 47 5.600 -4.276 -2.520 1.00 0.00 C ATOM 708 CG LYS A 47 5.823 -5.644 -3.136 1.00 0.00 C ATOM 709 CD LYS A 47 5.902 -6.722 -2.070 1.00 0.00 C ATOM 710 CE LYS A 47 5.068 -7.930 -2.446 1.00 0.00 C ATOM 711 NZ LYS A 47 3.612 -7.616 -2.479 1.00 0.00 N ATOM 0 H LYS A 47 7.886 -5.063 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 47 7.089 -2.904 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.113 -4.399 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.915 -3.711 -3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.011 -5.871 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.744 -5.637 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.940 -7.023 -1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.556 -6.321 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.382 -8.297 -3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.250 -8.732 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.065 -8.489 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.386 -6.936 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.367 -7.204 -3.402 1.00 0.00 H new ATOM 725 N VAL A 48 6.187 -1.311 -1.542 1.00 0.00 N ATOM 726 CA VAL A 48 5.946 -0.263 -0.569 1.00 0.00 C ATOM 727 C VAL A 48 4.471 0.113 -0.529 1.00 0.00 C ATOM 728 O VAL A 48 3.957 0.768 -1.437 1.00 0.00 O ATOM 729 CB VAL A 48 6.797 0.979 -0.881 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.572 2.066 0.162 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.267 0.603 -0.963 1.00 0.00 C ATOM 0 H VAL A 48 5.926 -1.066 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 48 6.234 -0.647 0.410 1.00 0.00 H new ATOM 0 HB VAL A 48 6.488 1.375 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.185 2.935 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.521 2.353 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.850 1.689 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.858 1.492 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.588 0.181 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.410 -0.134 -1.753 1.00 0.00 H new ATOM 741 N GLN A 49 3.794 -0.312 0.533 1.00 0.00 N ATOM 742 CA GLN A 49 2.373 -0.030 0.700 1.00 0.00 C ATOM 743 C GLN A 49 2.150 1.048 1.756 1.00 0.00 C ATOM 744 O GLN A 49 2.814 1.065 2.793 1.00 0.00 O ATOM 745 CB GLN A 49 1.626 -1.308 1.086 1.00 0.00 C ATOM 746 CG GLN A 49 0.115 -1.186 0.991 1.00 0.00 C ATOM 747 CD GLN A 49 -0.603 -2.407 1.531 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.234 -3.153 0.782 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.508 -2.619 2.838 1.00 0.00 N ATOM 0 H GLN A 49 4.208 -0.854 1.292 1.00 0.00 H new ATOM 0 HA GLN A 49 1.984 0.338 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.957 -2.121 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.896 -1.582 2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.210 -0.304 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.169 -1.033 -0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.026 -1.975 3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.969 -3.426 3.259 1.00 0.00 H new ATOM 758 N ILE A 50 1.207 1.943 1.485 1.00 0.00 N ATOM 759 CA ILE A 50 0.889 3.023 2.405 1.00 0.00 C ATOM 760 C ILE A 50 -0.620 3.206 2.559 1.00 0.00 C ATOM 761 O ILE A 50 -1.343 3.412 1.588 1.00 0.00 O ATOM 762 CB ILE A 50 1.547 4.340 1.966 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.260 4.638 0.491 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.043 4.252 2.213 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.234 5.724 0.283 1.00 0.00 C ATOM 0 H ILE A 50 0.649 1.940 0.631 1.00 0.00 H new ATOM 0 HA ILE A 50 1.294 2.744 3.378 1.00 0.00 H new ATOM 0 HB ILE A 50 1.127 5.159 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.189 4.928 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.915 3.725 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.518 5.183 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.227 4.085 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.459 3.424 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.082 5.881 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.708 5.428 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.586 6.649 0.739 1.00 0.00 H new ATOM 777 N GLY A 51 -1.066 3.132 3.806 1.00 0.00 N ATOM 778 CA GLY A 51 -2.472 3.291 4.123 1.00 0.00 C ATOM 779 C GLY A 51 -3.285 2.036 3.877 1.00 0.00 C ATOM 780 O GLY A 51 -3.522 1.656 2.731 1.00 0.00 O ATOM 0 H GLY A 51 -0.469 2.962 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.571 3.581 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.883 4.105 3.526 1.00 0.00 H new ATOM 784 N ALA A 52 -3.721 1.395 4.958 1.00 0.00 N ATOM 785 CA ALA A 52 -4.522 0.180 4.862 1.00 0.00 C ATOM 786 C ALA A 52 -5.728 0.263 5.791 1.00 0.00 C ATOM 787 O ALA A 52 -5.578 0.329 7.009 1.00 0.00 O ATOM 788 CB ALA A 52 -3.676 -1.040 5.196 1.00 0.00 C ATOM 0 H ALA A 52 -3.532 1.699 5.913 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.882 0.082 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.288 -1.939 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.843 -1.108 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.290 -0.948 6.211 1.00 0.00 H new ATOM 794 N PHE A 53 -6.925 0.273 5.210 1.00 0.00 N ATOM 795 CA PHE A 53 -8.149 0.366 5.998 1.00 0.00 C ATOM 796 C PHE A 53 -9.188 -0.653 5.542 1.00 0.00 C ATOM 797 O PHE A 53 -8.984 -1.376 4.561 1.00 0.00 O ATOM 798 CB PHE A 53 -8.739 1.778 5.907 1.00 0.00 C ATOM 799 CG PHE A 53 -7.703 2.862 5.803 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.976 3.035 4.636 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.459 3.710 6.872 1.00 0.00 C ATOM 802 CE1 PHE A 53 -6.024 4.031 4.538 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.508 4.709 6.778 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.789 4.869 5.609 1.00 0.00 C ATOM 0 H PHE A 53 -7.072 0.218 4.202 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.887 0.148 7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.396 1.832 5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.356 1.961 6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.156 2.384 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.018 3.589 7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.463 4.154 3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.327 5.364 7.618 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.045 5.648 5.534 1.00 0.00 H new ATOM 814 N SER A 54 -10.307 -0.699 6.259 1.00 0.00 N ATOM 815 CA SER A 54 -11.390 -1.621 5.939 1.00 0.00 C ATOM 816 C SER A 54 -12.308 -1.037 4.868 1.00 0.00 C ATOM 817 O SER A 54 -13.064 -1.765 4.225 1.00 0.00 O ATOM 818 CB SER A 54 -12.199 -1.948 7.195 1.00 0.00 C ATOM 819 OG SER A 54 -13.091 -0.896 7.517 1.00 0.00 O ATOM 0 H SER A 54 -10.487 -0.105 7.069 1.00 0.00 H new ATOM 0 HA SER A 54 -10.947 -2.538 5.551 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.760 -2.870 7.040 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.522 -2.124 8.031 1.00 0.00 H new ATOM 0 HG SER A 54 -13.597 -1.131 8.323 1.00 0.00 H new ATOM 825 N SER A 55 -12.239 0.279 4.677 1.00 0.00 N ATOM 826 CA SER A 55 -13.068 0.951 3.679 1.00 0.00 C ATOM 827 C SER A 55 -12.219 1.479 2.524 1.00 0.00 C ATOM 828 O SER A 55 -11.224 2.174 2.737 1.00 0.00 O ATOM 829 CB SER A 55 -13.845 2.101 4.323 1.00 0.00 C ATOM 830 OG SER A 55 -15.181 2.141 3.852 1.00 0.00 O ATOM 0 H SER A 55 -11.620 0.899 5.198 1.00 0.00 H new ATOM 0 HA SER A 55 -13.773 0.221 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.842 1.984 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.350 3.047 4.103 1.00 0.00 H new ATOM 0 HG SER A 55 -15.657 2.883 4.280 1.00 0.00 H new ATOM 836 N LYS A 56 -12.620 1.142 1.301 1.00 0.00 N ATOM 837 CA LYS A 56 -11.901 1.576 0.107 1.00 0.00 C ATOM 838 C LYS A 56 -11.761 3.095 0.067 1.00 0.00 C ATOM 839 O LYS A 56 -10.740 3.621 -0.374 1.00 0.00 O ATOM 840 CB LYS A 56 -12.617 1.086 -1.150 1.00 0.00 C ATOM 841 CG LYS A 56 -11.753 1.148 -2.396 1.00 0.00 C ATOM 842 CD LYS A 56 -11.987 2.431 -3.173 1.00 0.00 C ATOM 843 CE LYS A 56 -11.700 2.246 -4.655 1.00 0.00 C ATOM 844 NZ LYS A 56 -10.284 1.860 -4.902 1.00 0.00 N ATOM 0 H LYS A 56 -13.441 0.568 1.111 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.902 1.142 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.946 0.058 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.513 1.687 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.702 1.078 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.970 0.291 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.019 2.756 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.350 3.220 -2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.361 1.480 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.922 3.172 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.154 1.645 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.658 2.645 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.049 1.020 -4.336 1.00 0.00 H new ATOM 858 N ASP A 57 -12.792 3.796 0.532 1.00 0.00 N ATOM 859 CA ASP A 57 -12.779 5.255 0.546 1.00 0.00 C ATOM 860 C ASP A 57 -11.514 5.783 1.216 1.00 0.00 C ATOM 861 O ASP A 57 -11.003 6.843 0.856 1.00 0.00 O ATOM 862 CB ASP A 57 -14.015 5.789 1.271 1.00 0.00 C ATOM 863 CG ASP A 57 -14.521 7.087 0.673 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.688 7.974 0.390 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.749 7.216 0.489 1.00 0.00 O ATOM 0 H ASP A 57 -13.645 3.378 0.903 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.793 5.603 -0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.807 5.041 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.776 5.946 2.323 1.00 0.00 H new ATOM 870 N ASN A 58 -11.014 5.032 2.192 1.00 0.00 N ATOM 871 CA ASN A 58 -9.807 5.421 2.914 1.00 0.00 C ATOM 872 C ASN A 58 -8.578 5.290 2.021 1.00 0.00 C ATOM 873 O ASN A 58 -7.770 6.212 1.916 1.00 0.00 O ATOM 874 CB ASN A 58 -9.637 4.563 4.168 1.00 0.00 C ATOM 875 CG ASN A 58 -10.770 4.754 5.158 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.941 4.599 4.815 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.424 5.093 6.394 1.00 0.00 N ATOM 0 H ASN A 58 -11.425 4.151 2.501 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.910 6.465 3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.582 3.513 3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.691 4.812 4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.143 5.236 7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.440 5.211 6.634 1.00 0.00 H new ATOM 884 N ALA A 59 -8.448 4.135 1.375 1.00 0.00 N ATOM 885 CA ALA A 59 -7.325 3.878 0.483 1.00 0.00 C ATOM 886 C ALA A 59 -7.288 4.887 -0.655 1.00 0.00 C ATOM 887 O ALA A 59 -6.221 5.369 -1.028 1.00 0.00 O ATOM 888 CB ALA A 59 -7.405 2.462 -0.061 1.00 0.00 C ATOM 0 H ALA A 59 -9.108 3.362 1.454 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.402 3.985 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.561 2.280 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.375 1.752 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.336 2.336 -0.613 1.00 0.00 H new ATOM 894 N ASP A 60 -8.454 5.202 -1.211 1.00 0.00 N ATOM 895 CA ASP A 60 -8.543 6.156 -2.311 1.00 0.00 C ATOM 896 C ASP A 60 -7.988 7.516 -1.901 1.00 0.00 C ATOM 897 O ASP A 60 -7.141 8.085 -2.590 1.00 0.00 O ATOM 898 CB ASP A 60 -9.994 6.305 -2.770 1.00 0.00 C ATOM 899 CG ASP A 60 -10.388 5.261 -3.796 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.480 4.639 -4.389 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.604 5.064 -4.006 1.00 0.00 O ATOM 0 H ASP A 60 -9.349 4.811 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.944 5.773 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.655 6.229 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.137 7.299 -3.194 1.00 0.00 H new ATOM 906 N THR A 61 -8.469 8.034 -0.774 1.00 0.00 N ATOM 907 CA THR A 61 -8.018 9.326 -0.273 1.00 0.00 C ATOM 908 C THR A 61 -6.508 9.331 -0.069 1.00 0.00 C ATOM 909 O THR A 61 -5.839 10.333 -0.317 1.00 0.00 O ATOM 910 CB THR A 61 -8.727 9.667 1.042 1.00 0.00 C ATOM 911 OG1 THR A 61 -9.318 8.510 1.609 1.00 0.00 O ATOM 912 CG2 THR A 61 -9.814 10.707 0.882 1.00 0.00 C ATOM 0 H THR A 61 -9.171 7.578 -0.191 1.00 0.00 H new ATOM 0 HA THR A 61 -8.269 10.083 -1.016 1.00 0.00 H new ATOM 0 HB THR A 61 -7.951 10.072 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.171 8.327 1.163 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.276 10.903 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.381 11.629 0.494 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.569 10.340 0.187 1.00 0.00 H new ATOM 920 N LEU A 62 -5.977 8.197 0.376 1.00 0.00 N ATOM 921 CA LEU A 62 -4.544 8.053 0.608 1.00 0.00 C ATOM 922 C LEU A 62 -3.804 8.056 -0.702 1.00 0.00 C ATOM 923 O LEU A 62 -2.813 8.764 -0.883 1.00 0.00 O ATOM 924 CB LEU A 62 -4.254 6.715 1.274 1.00 0.00 C ATOM 925 CG LEU A 62 -3.041 6.704 2.200 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.859 7.375 1.522 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.366 7.392 3.517 1.00 0.00 C ATOM 0 H LEU A 62 -6.521 7.360 0.584 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.224 8.882 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.131 6.413 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.106 5.964 0.498 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.776 5.669 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.999 7.361 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.613 6.839 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.115 8.407 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.488 7.374 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.655 8.426 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.188 6.870 4.007 1.00 0.00 H new ATOM 939 N ALA A 63 -4.281 7.213 -1.600 1.00 0.00 N ATOM 940 CA ALA A 63 -3.662 7.059 -2.887 1.00 0.00 C ATOM 941 C ALA A 63 -3.512 8.406 -3.588 1.00 0.00 C ATOM 942 O ALA A 63 -2.402 8.841 -3.893 1.00 0.00 O ATOM 943 CB ALA A 63 -4.455 6.094 -3.754 1.00 0.00 C ATOM 0 H ALA A 63 -5.101 6.625 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.666 6.645 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.968 5.992 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.500 5.120 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.466 6.477 -3.894 1.00 0.00 H new ATOM 949 N ALA A 64 -4.644 9.062 -3.830 1.00 0.00 N ATOM 950 CA ALA A 64 -4.656 10.364 -4.487 1.00 0.00 C ATOM 951 C ALA A 64 -3.719 11.333 -3.779 1.00 0.00 C ATOM 952 O ALA A 64 -3.036 12.134 -4.419 1.00 0.00 O ATOM 953 CB ALA A 64 -6.069 10.925 -4.528 1.00 0.00 C ATOM 0 H ALA A 64 -5.568 8.710 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.304 10.234 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.060 11.897 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.715 10.243 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.445 11.038 -3.511 1.00 0.00 H new ATOM 959 N ARG A 65 -3.673 11.242 -2.453 1.00 0.00 N ATOM 960 CA ARG A 65 -2.802 12.097 -1.662 1.00 0.00 C ATOM 961 C ARG A 65 -1.348 11.807 -2.002 1.00 0.00 C ATOM 962 O ARG A 65 -0.522 12.714 -2.089 1.00 0.00 O ATOM 963 CB ARG A 65 -3.050 11.869 -0.172 1.00 0.00 C ATOM 964 CG ARG A 65 -2.757 13.083 0.689 1.00 0.00 C ATOM 965 CD ARG A 65 -3.195 12.859 2.127 1.00 0.00 C ATOM 966 NE ARG A 65 -3.900 14.015 2.673 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.071 14.234 3.974 1.00 0.00 C ATOM 968 NH1 ARG A 65 -3.588 13.377 4.867 1.00 0.00 N ATOM 969 NH2 ARG A 65 -4.725 15.312 4.386 1.00 0.00 N ATOM 0 H ARG A 65 -4.229 10.584 -1.907 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.021 13.139 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.089 11.574 -0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.433 11.037 0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.690 13.302 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.271 13.953 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.843 11.984 2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.321 12.644 2.742 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.284 14.696 2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.083 12.547 4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.722 13.549 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.097 15.974 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.856 15.479 5.384 1.00 0.00 H new ATOM 983 N ALA A 66 -1.051 10.527 -2.212 1.00 0.00 N ATOM 984 CA ALA A 66 0.295 10.106 -2.564 1.00 0.00 C ATOM 985 C ALA A 66 0.668 10.665 -3.924 1.00 0.00 C ATOM 986 O ALA A 66 1.783 11.145 -4.126 1.00 0.00 O ATOM 987 CB ALA A 66 0.404 8.593 -2.549 1.00 0.00 C ATOM 0 H ALA A 66 -1.727 9.766 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 66 0.994 10.496 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.419 8.299 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.168 8.221 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.297 8.171 -3.269 1.00 0.00 H new ATOM 993 N LYS A 67 -0.283 10.620 -4.852 1.00 0.00 N ATOM 994 CA LYS A 67 -0.056 11.147 -6.186 1.00 0.00 C ATOM 995 C LYS A 67 0.229 12.638 -6.104 1.00 0.00 C ATOM 996 O LYS A 67 1.185 13.136 -6.697 1.00 0.00 O ATOM 997 CB LYS A 67 -1.266 10.884 -7.084 1.00 0.00 C ATOM 998 CG LYS A 67 -1.365 9.445 -7.568 1.00 0.00 C ATOM 999 CD LYS A 67 -2.668 8.794 -7.131 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.040 7.631 -8.035 1.00 0.00 C ATOM 1001 NZ LYS A 67 -3.455 8.089 -9.389 1.00 0.00 N ATOM 0 H LYS A 67 -1.212 10.226 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 67 0.805 10.642 -6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.175 11.138 -6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.217 11.546 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.293 9.421 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.523 8.872 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.573 8.442 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.468 9.535 -7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.189 6.955 -8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.851 7.063 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.995 7.335 -9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.049 8.938 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.611 8.314 -9.953 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.594 13.338 -5.332 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.419 14.767 -5.130 1.00 0.00 C ATOM 1017 C ASN A 68 0.841 15.018 -4.310 1.00 0.00 C ATOM 1018 O ASN A 68 1.458 16.078 -4.398 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.638 15.354 -4.413 1.00 0.00 C ATOM 1020 CG ASN A 68 -1.800 16.838 -4.669 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.657 17.307 -5.798 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.101 17.591 -3.616 1.00 0.00 N ATOM 0 H ASN A 68 -1.390 12.936 -4.836 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.319 15.254 -6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.536 14.831 -4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.543 15.181 -3.341 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.222 18.598 -3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.211 17.162 -2.697 1.00 0.00 H new ATOM 1029 N ALA A 69 1.216 14.018 -3.512 1.00 0.00 N ATOM 1030 CA ALA A 69 2.400 14.097 -2.672 1.00 0.00 C ATOM 1031 C ALA A 69 3.673 13.893 -3.489 1.00 0.00 C ATOM 1032 O ALA A 69 4.757 14.301 -3.077 1.00 0.00 O ATOM 1033 CB ALA A 69 2.316 13.057 -1.565 1.00 0.00 C ATOM 0 H ALA A 69 0.707 13.137 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 69 2.441 15.093 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.206 13.120 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.430 13.243 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.252 12.062 -2.005 1.00 0.00 H new ATOM 1039 N GLY A 70 3.533 13.253 -4.647 1.00 0.00 N ATOM 1040 CA GLY A 70 4.676 12.998 -5.500 1.00 0.00 C ATOM 1041 C GLY A 70 5.029 11.526 -5.533 1.00 0.00 C ATOM 1042 O GLY A 70 6.171 11.156 -5.798 1.00 0.00 O ATOM 0 H GLY A 70 2.644 12.906 -5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.461 13.344 -6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.532 13.570 -5.143 1.00 0.00 H new ATOM 1046 N PHE A 71 4.038 10.687 -5.245 1.00 0.00 N ATOM 1047 CA PHE A 71 4.235 9.248 -5.220 1.00 0.00 C ATOM 1048 C PHE A 71 3.149 8.560 -6.039 1.00 0.00 C ATOM 1049 O PHE A 71 2.046 9.083 -6.178 1.00 0.00 O ATOM 1050 CB PHE A 71 4.195 8.747 -3.777 1.00 0.00 C ATOM 1051 CG PHE A 71 4.682 9.762 -2.778 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.900 10.400 -2.956 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.916 10.088 -1.669 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.346 11.339 -2.046 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.356 11.028 -0.758 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.573 11.654 -0.947 1.00 0.00 C ATOM 0 H PHE A 71 3.087 10.985 -5.025 1.00 0.00 H new ATOM 0 HA PHE A 71 5.207 9.013 -5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.173 8.464 -3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.804 7.847 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.507 10.160 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.964 9.601 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.298 11.826 -2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.749 11.273 0.101 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.919 12.389 -0.235 1.00 0.00 H new ATOM 1066 N ASP A 72 3.462 7.397 -6.587 1.00 0.00 N ATOM 1067 CA ASP A 72 2.497 6.668 -7.402 1.00 0.00 C ATOM 1068 C ASP A 72 1.738 5.642 -6.571 1.00 0.00 C ATOM 1069 O ASP A 72 1.943 4.439 -6.725 1.00 0.00 O ATOM 1070 CB ASP A 72 3.205 5.975 -8.568 1.00 0.00 C ATOM 1071 CG ASP A 72 2.231 5.346 -9.545 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.867 4.167 -9.345 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.831 6.031 -10.509 1.00 0.00 O ATOM 0 H ASP A 72 4.368 6.939 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 72 1.779 7.387 -7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.826 6.700 -9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.872 5.206 -8.179 1.00 0.00 H new ATOM 1078 N ALA A 73 0.850 6.119 -5.697 1.00 0.00 N ATOM 1079 CA ALA A 73 0.065 5.224 -4.858 1.00 0.00 C ATOM 1080 C ALA A 73 -1.231 4.805 -5.541 1.00 0.00 C ATOM 1081 O ALA A 73 -1.895 5.611 -6.192 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.239 5.881 -3.521 1.00 0.00 C ATOM 0 H ALA A 73 0.660 7.111 -5.555 1.00 0.00 H new ATOM 0 HA ALA A 73 0.660 4.326 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.826 5.199 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.695 6.117 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.804 6.798 -3.686 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.587 3.538 -5.368 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.808 2.990 -5.944 1.00 0.00 C ATOM 1090 C ILE A 74 -3.548 2.167 -4.899 1.00 0.00 C ATOM 1091 O ILE A 74 -2.944 1.702 -3.937 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.511 2.107 -7.170 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.548 0.979 -6.793 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.935 2.944 -8.301 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.620 -0.213 -7.723 1.00 0.00 C ATOM 0 H ILE A 74 -1.042 2.866 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.426 3.827 -6.268 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.446 1.663 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.529 1.367 -6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.766 0.651 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.731 2.304 -9.160 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.652 3.715 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.009 3.414 -7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.911 -0.973 -7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.628 -0.627 -7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.373 0.101 -8.737 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.847 1.984 -5.086 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.640 1.207 -4.139 1.00 0.00 C ATOM 1109 C VAL A 75 -5.980 -0.165 -4.703 1.00 0.00 C ATOM 1110 O VAL A 75 -6.336 -0.297 -5.874 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.937 1.943 -3.747 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.796 1.078 -2.833 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.608 3.269 -3.080 1.00 0.00 C ATOM 0 H VAL A 75 -5.372 2.358 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.031 1.080 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.508 2.143 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.705 1.618 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.059 0.154 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.239 0.842 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.532 3.779 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.016 3.088 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.039 3.892 -3.770 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.865 -1.186 -3.860 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.157 -2.550 -4.273 1.00 0.00 C ATOM 1125 C ILE A 76 -6.863 -3.327 -3.167 1.00 0.00 C ATOM 1126 O ILE A 76 -6.556 -3.165 -1.982 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.873 -3.303 -4.672 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.813 -3.160 -3.579 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.347 -2.787 -6.001 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.782 -4.268 -3.587 1.00 0.00 C ATOM 0 H ILE A 76 -5.572 -1.093 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.816 -2.480 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.110 -4.361 -4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.306 -2.202 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.306 -3.140 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.440 -3.329 -6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.101 -2.937 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.122 -1.724 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.063 -4.101 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.277 -5.227 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.262 -4.275 -4.545 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.811 -4.170 -3.568 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.569 -4.984 -2.631 1.00 0.00 C ATOM 1144 C LEU A 77 -7.918 -6.357 -2.477 1.00 0.00 C ATOM 1145 O LEU A 77 -7.984 -7.189 -3.383 1.00 0.00 O ATOM 1146 CB LEU A 77 -10.015 -5.122 -3.124 1.00 0.00 C ATOM 1147 CG LEU A 77 -10.826 -6.248 -2.481 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -11.219 -5.876 -1.058 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.060 -6.558 -3.313 1.00 0.00 C ATOM 0 H LEU A 77 -8.072 -4.305 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.574 -4.499 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.532 -4.179 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.999 -5.280 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.204 -7.143 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.795 -6.688 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.320 -5.704 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.823 -4.969 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.625 -7.362 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.685 -5.668 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.756 -6.868 -4.313 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.284 -6.586 -1.332 1.00 0.00 N ATOM 1162 CA GLU A 78 -6.616 -7.855 -1.069 1.00 0.00 C ATOM 1163 C GLU A 78 -7.430 -8.715 -0.107 1.00 0.00 C ATOM 1164 O GLU A 78 -7.954 -8.220 0.891 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.219 -7.612 -0.494 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.187 -7.237 -1.546 1.00 0.00 C ATOM 1167 CD GLU A 78 -2.764 -7.457 -1.069 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -2.556 -8.340 -0.210 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -1.858 -6.748 -1.555 1.00 0.00 O ATOM 0 H GLU A 78 -7.219 -5.909 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.526 -8.388 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.274 -6.817 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.887 -8.511 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.360 -7.827 -2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.317 -6.190 -1.821 1.00 0.00 H new ATOM 1176 N SER A 79 -7.528 -10.005 -0.412 1.00 0.00 N ATOM 1177 CA SER A 79 -8.275 -10.935 0.428 1.00 0.00 C ATOM 1178 C SER A 79 -7.329 -11.829 1.224 1.00 0.00 C ATOM 1179 O SER A 79 -7.826 -12.640 2.035 1.00 0.00 O ATOM 1180 CB SER A 79 -9.206 -11.794 -0.429 1.00 0.00 C ATOM 1181 OG SER A 79 -8.479 -12.769 -1.155 1.00 0.00 O ATOM 1182 OXT SER A 79 -6.101 -11.711 1.029 1.00 0.00 O ATOM 0 H SER A 79 -7.100 -10.430 -1.234 1.00 0.00 H new ATOM 0 HA SER A 79 -8.872 -10.353 1.129 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.942 -12.285 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.758 -11.158 -1.121 1.00 0.00 H new ATOM 0 HG SER A 79 -9.098 -13.305 -1.693 1.00 0.00 H new TER 1188 SER A 79