USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 684 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 57 ASN : amide:sc= 0.261 K(o=0.97,f=-1.9!) USER MOD Set 1.2: A 80 SER OG : rot 93:sc= 0.708 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0.389 USER MOD Set 2.2: A 17 SER OG : rot -122:sc= 0.633 USER MOD Set 3.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 66:sc= 0.0756 USER MOD Single : A 11 THR OG1 : rot 62:sc= 0.882 USER MOD Single : A 12 HIS : no HE2:sc= 0.0238 X(o=0.024,f=-0.16) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 150:sc= -0.174 USER MOD Single : A 26 ASN : amide:sc= -0.0227 K(o=-0.023,f=-2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 160:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.35 K(o=-3.3,f=-4.8!) USER MOD Single : A 41 SER OG : rot 89:sc= 1.03 USER MOD Single : A 42 SER OG : rot -40:sc= -2.2 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.11 K(o=-2.1,f=-3.8!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= 1.05 F(o=-0.24,f=1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 68 SER OG : rot 180:sc= -0.101 USER MOD Single : A 74 SER OG : rot -80:sc= -2.04! USER MOD Single : A 77 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3.9!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0392 USER MOD Single : A 85 SER OG : rot 180:sc= -2.58! USER MOD Single : A 86 LYS NZ :NH3+ -147:sc= -0.0816 (180deg=-0.356) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.269 -1.789 0.900 1.00 21.02 N ATOM 2 CA GLY A 1 8.905 -0.898 -0.052 1.00 40.13 C ATOM 3 C GLY A 1 7.902 -0.075 -0.836 1.00 75.52 C ATOM 4 O GLY A 1 7.844 -0.160 -2.062 1.00 52.14 O ATOM 0 H1 GLY A 1 8.997 -2.329 1.410 1.00 21.02 H new ATOM 0 H2 GLY A 1 7.712 -1.232 1.579 1.00 21.02 H new ATOM 0 H3 GLY A 1 7.641 -2.446 0.394 1.00 21.02 H new ATOM 0 HA2 GLY A 1 9.583 -0.230 0.478 1.00 40.13 H new ATOM 0 HA3 GLY A 1 9.510 -1.483 -0.744 1.00 40.13 H new ATOM 8 N GLU A 2 7.108 0.721 -0.126 1.00 70.25 N ATOM 9 CA GLU A 2 6.100 1.559 -0.765 1.00 2.43 C ATOM 10 C GLU A 2 5.935 2.878 -0.015 1.00 3.15 C ATOM 11 O GLU A 2 6.139 2.946 1.198 1.00 45.03 O ATOM 12 CB GLU A 2 4.759 0.825 -0.828 1.00 44.12 C ATOM 13 CG GLU A 2 4.348 0.429 -2.236 1.00 44.14 C ATOM 14 CD GLU A 2 5.068 -0.812 -2.727 1.00 23.10 C ATOM 15 OE1 GLU A 2 5.252 -1.748 -1.921 1.00 34.31 O ATOM 16 OE2 GLU A 2 5.449 -0.847 -3.916 1.00 34.22 O ATOM 0 H GLU A 2 7.143 0.803 0.890 1.00 70.25 H new ATOM 0 HA GLU A 2 6.435 1.776 -1.779 1.00 2.43 H new ATOM 0 HB2 GLU A 2 4.815 -0.071 -0.209 1.00 44.12 H new ATOM 0 HB3 GLU A 2 3.985 1.461 -0.398 1.00 44.12 H new ATOM 0 HG2 GLU A 2 3.272 0.254 -2.261 1.00 44.14 H new ATOM 0 HG3 GLU A 2 4.552 1.256 -2.916 1.00 44.14 H new ATOM 23 N LYS A 3 5.565 3.925 -0.744 1.00 70.34 N ATOM 24 CA LYS A 3 5.371 5.242 -0.151 1.00 4.35 C ATOM 25 C LYS A 3 6.649 5.726 0.528 1.00 40.54 C ATOM 26 O LYS A 3 6.611 6.596 1.399 1.00 42.23 O ATOM 27 CB LYS A 3 4.226 5.204 0.864 1.00 61.12 C ATOM 28 CG LYS A 3 2.848 5.203 0.225 1.00 11.23 C ATOM 29 CD LYS A 3 2.174 3.848 0.355 1.00 32.42 C ATOM 30 CE LYS A 3 1.269 3.559 -0.833 1.00 31.03 C ATOM 31 NZ LYS A 3 0.219 2.556 -0.500 1.00 4.42 N ATOM 0 H LYS A 3 5.393 3.886 -1.749 1.00 70.34 H new ATOM 0 HA LYS A 3 5.117 5.939 -0.950 1.00 4.35 H new ATOM 0 HB2 LYS A 3 4.331 4.314 1.484 1.00 61.12 H new ATOM 0 HB3 LYS A 3 4.310 6.066 1.526 1.00 61.12 H new ATOM 0 HG2 LYS A 3 2.227 5.966 0.695 1.00 11.23 H new ATOM 0 HG3 LYS A 3 2.934 5.468 -0.829 1.00 11.23 H new ATOM 0 HD2 LYS A 3 2.933 3.069 0.434 1.00 32.42 H new ATOM 0 HD3 LYS A 3 1.590 3.818 1.275 1.00 32.42 H new ATOM 0 HE2 LYS A 3 0.796 4.484 -1.163 1.00 31.03 H new ATOM 0 HE3 LYS A 3 1.869 3.193 -1.666 1.00 31.03 H new ATOM 0 HZ1 LYS A 3 -0.377 2.387 -1.335 1.00 4.42 H new ATOM 0 HZ2 LYS A 3 0.670 1.665 -0.210 1.00 4.42 H new ATOM 0 HZ3 LYS A 3 -0.370 2.915 0.278 1.00 4.42 H new ATOM 45 N THR A 4 7.781 5.159 0.122 1.00 52.02 N ATOM 46 CA THR A 4 9.070 5.533 0.690 1.00 52.03 C ATOM 47 C THR A 4 10.218 5.060 -0.194 1.00 61.30 C ATOM 48 O THR A 4 10.111 4.040 -0.876 1.00 53.51 O ATOM 49 CB THR A 4 9.251 4.950 2.104 1.00 62.32 C ATOM 50 OG1 THR A 4 10.620 5.061 2.508 1.00 44.22 O ATOM 51 CG2 THR A 4 8.822 3.491 2.147 1.00 73.04 C ATOM 0 H THR A 4 7.831 4.439 -0.598 1.00 52.02 H new ATOM 0 HA THR A 4 9.086 6.621 0.749 1.00 52.03 H new ATOM 0 HB THR A 4 8.622 5.518 2.790 1.00 62.32 H new ATOM 0 HG1 THR A 4 10.859 6.007 2.597 1.00 44.22 H new ATOM 0 HG21 THR A 4 8.959 3.101 3.156 1.00 73.04 H new ATOM 0 HG22 THR A 4 7.772 3.412 1.867 1.00 73.04 H new ATOM 0 HG23 THR A 4 9.428 2.913 1.449 1.00 73.04 H new ATOM 59 N VAL A 5 11.318 5.806 -0.177 1.00 62.12 N ATOM 60 CA VAL A 5 12.488 5.461 -0.976 1.00 41.11 C ATOM 61 C VAL A 5 13.472 4.618 -0.174 1.00 24.44 C ATOM 62 O VAL A 5 13.833 4.966 0.951 1.00 32.51 O ATOM 63 CB VAL A 5 13.209 6.722 -1.489 1.00 53.02 C ATOM 64 CG1 VAL A 5 12.276 7.556 -2.354 1.00 73.21 C ATOM 65 CG2 VAL A 5 13.743 7.541 -0.324 1.00 0.11 C ATOM 0 H VAL A 5 11.423 6.653 0.381 1.00 62.12 H new ATOM 0 HA VAL A 5 12.130 4.884 -1.828 1.00 41.11 H new ATOM 0 HB VAL A 5 14.054 6.412 -2.103 1.00 53.02 H new ATOM 0 HG11 VAL A 5 12.803 8.443 -2.707 1.00 73.21 H new ATOM 0 HG12 VAL A 5 11.947 6.965 -3.209 1.00 73.21 H new ATOM 0 HG13 VAL A 5 11.409 7.859 -1.767 1.00 73.21 H new ATOM 0 HG21 VAL A 5 14.249 8.428 -0.705 1.00 0.11 H new ATOM 0 HG22 VAL A 5 12.916 7.843 0.318 1.00 0.11 H new ATOM 0 HG23 VAL A 5 14.447 6.940 0.251 1.00 0.11 H new ATOM 75 N LYS A 6 13.905 3.506 -0.759 1.00 41.22 N ATOM 76 CA LYS A 6 14.850 2.612 -0.101 1.00 31.12 C ATOM 77 C LYS A 6 16.286 2.978 -0.459 1.00 44.55 C ATOM 78 O LYS A 6 16.710 2.822 -1.605 1.00 64.33 O ATOM 79 CB LYS A 6 14.569 1.160 -0.495 1.00 42.11 C ATOM 80 CG LYS A 6 13.994 0.323 0.634 1.00 14.54 C ATOM 81 CD LYS A 6 13.964 -1.153 0.276 1.00 42.22 C ATOM 82 CE LYS A 6 12.540 -1.651 0.081 1.00 43.35 C ATOM 83 NZ LYS A 6 11.939 -2.127 1.357 1.00 65.51 N ATOM 0 H LYS A 6 13.616 3.202 -1.689 1.00 41.22 H new ATOM 0 HA LYS A 6 14.724 2.721 0.976 1.00 31.12 H new ATOM 0 HB2 LYS A 6 13.874 1.148 -1.335 1.00 42.11 H new ATOM 0 HB3 LYS A 6 15.495 0.701 -0.841 1.00 42.11 H new ATOM 0 HG2 LYS A 6 14.590 0.467 1.535 1.00 14.54 H new ATOM 0 HG3 LYS A 6 12.984 0.663 0.862 1.00 14.54 H new ATOM 0 HD2 LYS A 6 14.537 -1.319 -0.637 1.00 42.22 H new ATOM 0 HD3 LYS A 6 14.447 -1.730 1.065 1.00 42.22 H new ATOM 0 HE2 LYS A 6 11.928 -0.849 -0.331 1.00 43.35 H new ATOM 0 HE3 LYS A 6 12.536 -2.462 -0.647 1.00 43.35 H new ATOM 0 HZ1 LYS A 6 10.969 -2.458 1.182 1.00 65.51 H new ATOM 0 HZ2 LYS A 6 12.508 -2.910 1.738 1.00 65.51 H new ATOM 0 HZ3 LYS A 6 11.920 -1.346 2.044 1.00 65.51 H new ATOM 97 N LEU A 7 17.031 3.466 0.527 1.00 65.35 N ATOM 98 CA LEU A 7 18.422 3.853 0.315 1.00 10.22 C ATOM 99 C LEU A 7 19.344 2.641 0.401 1.00 1.10 C ATOM 100 O LEU A 7 19.323 1.901 1.385 1.00 61.13 O ATOM 101 CB LEU A 7 18.842 4.902 1.346 1.00 21.03 C ATOM 102 CG LEU A 7 17.875 6.069 1.550 1.00 73.53 C ATOM 103 CD1 LEU A 7 18.116 6.733 2.896 1.00 53.40 C ATOM 104 CD2 LEU A 7 18.014 7.080 0.421 1.00 74.41 C ATOM 0 H LEU A 7 16.696 3.603 1.480 1.00 65.35 H new ATOM 0 HA LEU A 7 18.507 4.280 -0.684 1.00 10.22 H new ATOM 0 HB2 LEU A 7 18.985 4.403 2.305 1.00 21.03 H new ATOM 0 HB3 LEU A 7 19.810 5.306 1.050 1.00 21.03 H new ATOM 0 HG LEU A 7 16.857 5.679 1.538 1.00 73.53 H new ATOM 0 HD11 LEU A 7 17.419 7.561 3.023 1.00 53.40 H new ATOM 0 HD12 LEU A 7 17.964 6.005 3.693 1.00 53.40 H new ATOM 0 HD13 LEU A 7 19.138 7.110 2.938 1.00 53.40 H new ATOM 0 HD21 LEU A 7 17.318 7.904 0.582 1.00 74.41 H new ATOM 0 HD22 LEU A 7 19.034 7.465 0.401 1.00 74.41 H new ATOM 0 HD23 LEU A 7 17.790 6.597 -0.530 1.00 74.41 H new ATOM 116 N TYR A 8 20.154 2.446 -0.634 1.00 35.21 N ATOM 117 CA TYR A 8 21.083 1.324 -0.676 1.00 25.43 C ATOM 118 C TYR A 8 22.522 1.813 -0.812 1.00 60.12 C ATOM 119 O TYR A 8 22.808 2.724 -1.588 1.00 54.12 O ATOM 120 CB TYR A 8 20.738 0.391 -1.838 1.00 31.23 C ATOM 121 CG TYR A 8 19.855 -0.771 -1.440 1.00 3.41 C ATOM 122 CD1 TYR A 8 20.385 -1.884 -0.799 1.00 4.43 C ATOM 123 CD2 TYR A 8 18.492 -0.756 -1.706 1.00 13.20 C ATOM 124 CE1 TYR A 8 19.583 -2.947 -0.434 1.00 21.51 C ATOM 125 CE2 TYR A 8 17.682 -1.814 -1.344 1.00 33.44 C ATOM 126 CZ TYR A 8 18.232 -2.908 -0.708 1.00 51.11 C ATOM 127 OH TYR A 8 17.429 -3.965 -0.347 1.00 34.13 O ATOM 0 H TYR A 8 20.186 3.051 -1.455 1.00 35.21 H new ATOM 0 HA TYR A 8 20.992 0.775 0.261 1.00 25.43 H new ATOM 0 HB2 TYR A 8 20.239 0.965 -2.618 1.00 31.23 H new ATOM 0 HB3 TYR A 8 21.661 0.004 -2.269 1.00 31.23 H new ATOM 0 HD1 TYR A 8 21.443 -1.918 -0.583 1.00 4.43 H new ATOM 0 HD2 TYR A 8 18.058 0.098 -2.205 1.00 13.20 H new ATOM 0 HE1 TYR A 8 20.011 -3.805 0.063 1.00 21.51 H new ATOM 0 HE2 TYR A 8 16.624 -1.785 -1.558 1.00 33.44 H new ATOM 0 HH TYR A 8 16.504 -3.778 -0.611 1.00 34.13 H new ATOM 137 N GLU A 9 23.424 1.199 -0.052 1.00 14.42 N ATOM 138 CA GLU A 9 24.833 1.572 -0.087 1.00 52.35 C ATOM 139 C GLU A 9 25.554 0.864 -1.230 1.00 64.22 C ATOM 140 O GLU A 9 26.758 1.037 -1.421 1.00 2.42 O ATOM 141 CB GLU A 9 25.507 1.233 1.244 1.00 53.52 C ATOM 142 CG GLU A 9 25.802 -0.247 1.417 1.00 0.11 C ATOM 143 CD GLU A 9 25.272 -0.798 2.726 1.00 30.15 C ATOM 144 OE1 GLU A 9 25.168 -0.022 3.699 1.00 41.10 O ATOM 145 OE2 GLU A 9 24.961 -2.007 2.778 1.00 53.40 O ATOM 0 H GLU A 9 23.204 0.442 0.595 1.00 14.42 H new ATOM 0 HA GLU A 9 24.894 2.648 -0.252 1.00 52.35 H new ATOM 0 HB2 GLU A 9 26.439 1.792 1.322 1.00 53.52 H new ATOM 0 HB3 GLU A 9 24.866 1.565 2.061 1.00 53.52 H new ATOM 0 HG2 GLU A 9 25.360 -0.801 0.589 1.00 0.11 H new ATOM 0 HG3 GLU A 9 26.879 -0.407 1.369 1.00 0.11 H new ATOM 152 N ASP A 10 24.810 0.065 -1.987 1.00 21.23 N ATOM 153 CA ASP A 10 25.377 -0.670 -3.111 1.00 65.32 C ATOM 154 C ASP A 10 24.640 -0.339 -4.405 1.00 0.42 C ATOM 155 O ASP A 10 23.409 -0.310 -4.441 1.00 44.05 O ATOM 156 CB ASP A 10 25.317 -2.175 -2.847 1.00 21.53 C ATOM 157 CG ASP A 10 26.529 -2.908 -3.388 1.00 42.51 C ATOM 158 OD1 ASP A 10 26.791 -2.803 -4.605 1.00 60.50 O ATOM 159 OD2 ASP A 10 27.217 -3.584 -2.595 1.00 14.20 O ATOM 0 H ASP A 10 23.812 -0.090 -1.842 1.00 21.23 H new ATOM 0 HA ASP A 10 26.419 -0.369 -3.220 1.00 65.32 H new ATOM 0 HB2 ASP A 10 25.240 -2.350 -1.774 1.00 21.53 H new ATOM 0 HB3 ASP A 10 24.415 -2.585 -3.302 1.00 21.53 H new ATOM 164 N THR A 11 25.401 -0.087 -5.466 1.00 35.11 N ATOM 165 CA THR A 11 24.820 0.245 -6.761 1.00 21.11 C ATOM 166 C THR A 11 24.295 -1.002 -7.464 1.00 13.42 C ATOM 167 O THR A 11 24.733 -1.337 -8.565 1.00 20.14 O ATOM 168 CB THR A 11 25.846 0.942 -7.674 1.00 61.44 C ATOM 169 OG1 THR A 11 25.280 1.157 -8.972 1.00 11.32 O ATOM 170 CG2 THR A 11 27.112 0.108 -7.800 1.00 64.04 C ATOM 0 H THR A 11 26.421 -0.107 -5.454 1.00 35.11 H new ATOM 0 HA THR A 11 23.991 0.927 -6.571 1.00 21.11 H new ATOM 0 HB THR A 11 26.105 1.902 -7.227 1.00 61.44 H new ATOM 0 HG1 THR A 11 24.504 1.751 -8.896 1.00 11.32 H new ATOM 0 HG21 THR A 11 27.822 0.620 -8.449 1.00 64.04 H new ATOM 0 HG22 THR A 11 27.556 -0.030 -6.814 1.00 64.04 H new ATOM 0 HG23 THR A 11 26.866 -0.864 -8.227 1.00 64.04 H new ATOM 178 N HIS A 12 23.352 -1.685 -6.822 1.00 5.25 N ATOM 179 CA HIS A 12 22.766 -2.895 -7.387 1.00 10.32 C ATOM 180 C HIS A 12 21.643 -3.420 -6.498 1.00 32.40 C ATOM 181 O HIS A 12 21.400 -4.626 -6.435 1.00 1.25 O ATOM 182 CB HIS A 12 23.837 -3.971 -7.565 1.00 3.01 C ATOM 183 CG HIS A 12 23.870 -4.562 -8.941 1.00 11.22 C ATOM 184 ND1 HIS A 12 24.587 -4.009 -9.981 1.00 11.44 N ATOM 185 CD2 HIS A 12 23.270 -5.665 -9.445 1.00 34.32 C ATOM 186 CE1 HIS A 12 24.425 -4.745 -11.065 1.00 71.31 C ATOM 187 NE2 HIS A 12 23.630 -5.757 -10.767 1.00 21.13 N ATOM 0 H HIS A 12 22.978 -1.421 -5.911 1.00 5.25 H new ATOM 0 HA HIS A 12 22.348 -2.646 -8.362 1.00 10.32 H new ATOM 0 HB2 HIS A 12 24.813 -3.541 -7.340 1.00 3.01 H new ATOM 0 HB3 HIS A 12 23.664 -4.767 -6.841 1.00 3.01 H new ATOM 0 HD1 HIS A 12 25.154 -3.163 -9.922 1.00 11.44 H new ATOM 0 HD2 HIS A 12 22.627 -6.346 -8.907 1.00 34.32 H new ATOM 0 HE1 HIS A 12 24.867 -4.552 -12.031 1.00 71.31 H new ATOM 195 N PHE A 13 20.961 -2.509 -5.813 1.00 2.54 N ATOM 196 CA PHE A 13 19.865 -2.880 -4.926 1.00 32.41 C ATOM 197 C PHE A 13 20.275 -4.025 -4.004 1.00 3.12 C ATOM 198 O PHE A 13 19.458 -4.874 -3.647 1.00 3.22 O ATOM 199 CB PHE A 13 18.635 -3.284 -5.742 1.00 62.11 C ATOM 200 CG PHE A 13 18.329 -2.342 -6.871 1.00 65.02 C ATOM 201 CD1 PHE A 13 18.362 -0.971 -6.675 1.00 1.21 C ATOM 202 CD2 PHE A 13 18.010 -2.828 -8.129 1.00 1.51 C ATOM 203 CE1 PHE A 13 18.080 -0.102 -7.712 1.00 44.20 C ATOM 204 CE2 PHE A 13 17.728 -1.963 -9.170 1.00 72.31 C ATOM 205 CZ PHE A 13 17.764 -0.599 -8.961 1.00 41.44 C ATOM 0 H PHE A 13 21.148 -1.507 -5.855 1.00 2.54 H new ATOM 0 HA PHE A 13 19.618 -2.013 -4.313 1.00 32.41 H new ATOM 0 HB2 PHE A 13 18.789 -4.285 -6.146 1.00 62.11 H new ATOM 0 HB3 PHE A 13 17.771 -3.337 -5.080 1.00 62.11 H new ATOM 0 HD1 PHE A 13 18.611 -0.577 -5.701 1.00 1.21 H new ATOM 0 HD2 PHE A 13 17.981 -3.894 -8.298 1.00 1.51 H new ATOM 0 HE1 PHE A 13 18.107 0.965 -7.546 1.00 44.20 H new ATOM 0 HE2 PHE A 13 17.480 -2.354 -10.146 1.00 72.31 H new ATOM 0 HZ PHE A 13 17.545 0.078 -9.773 1.00 41.44 H new ATOM 215 N LYS A 14 21.548 -4.042 -3.622 1.00 11.50 N ATOM 216 CA LYS A 14 22.069 -5.080 -2.741 1.00 44.12 C ATOM 217 C LYS A 14 22.661 -4.472 -1.474 1.00 1.43 C ATOM 218 O LYS A 14 23.044 -3.303 -1.455 1.00 44.30 O ATOM 219 CB LYS A 14 23.133 -5.907 -3.467 1.00 51.34 C ATOM 220 CG LYS A 14 24.423 -5.147 -3.724 1.00 61.50 C ATOM 221 CD LYS A 14 25.506 -6.059 -4.276 1.00 23.23 C ATOM 222 CE LYS A 14 25.183 -6.517 -5.690 1.00 33.15 C ATOM 223 NZ LYS A 14 25.596 -7.928 -5.924 1.00 21.53 N ATOM 0 H LYS A 14 22.238 -3.348 -3.909 1.00 11.50 H new ATOM 0 HA LYS A 14 21.241 -5.731 -2.458 1.00 44.12 H new ATOM 0 HB2 LYS A 14 23.356 -6.796 -2.876 1.00 51.34 H new ATOM 0 HB3 LYS A 14 22.728 -6.250 -4.419 1.00 51.34 H new ATOM 0 HG2 LYS A 14 24.235 -4.336 -4.428 1.00 61.50 H new ATOM 0 HG3 LYS A 14 24.768 -4.690 -2.797 1.00 61.50 H new ATOM 0 HD2 LYS A 14 26.462 -5.535 -4.272 1.00 23.23 H new ATOM 0 HD3 LYS A 14 25.617 -6.928 -3.627 1.00 23.23 H new ATOM 0 HE2 LYS A 14 24.112 -6.418 -5.868 1.00 33.15 H new ATOM 0 HE3 LYS A 14 25.687 -5.868 -6.406 1.00 33.15 H new ATOM 0 HZ1 LYS A 14 25.359 -8.202 -6.899 1.00 21.53 H new ATOM 0 HZ2 LYS A 14 26.622 -8.018 -5.779 1.00 21.53 H new ATOM 0 HZ3 LYS A 14 25.096 -8.551 -5.258 1.00 21.53 H new ATOM 237 N GLY A 15 22.734 -5.274 -0.416 1.00 14.44 N ATOM 238 CA GLY A 15 23.281 -4.796 0.841 1.00 62.42 C ATOM 239 C GLY A 15 22.207 -4.319 1.797 1.00 12.05 C ATOM 240 O GLY A 15 21.094 -4.846 1.805 1.00 51.30 O ATOM 0 H GLY A 15 22.424 -6.246 -0.407 1.00 14.44 H new ATOM 0 HA2 GLY A 15 23.853 -5.595 1.312 1.00 62.42 H new ATOM 0 HA3 GLY A 15 23.976 -3.980 0.644 1.00 62.42 H new ATOM 244 N TYR A 16 22.540 -3.320 2.608 1.00 74.44 N ATOM 245 CA TYR A 16 21.596 -2.775 3.576 1.00 51.20 C ATOM 246 C TYR A 16 20.643 -1.786 2.911 1.00 44.12 C ATOM 247 O TYR A 16 21.003 -1.116 1.943 1.00 52.22 O ATOM 248 CB TYR A 16 22.346 -2.088 4.719 1.00 75.01 C ATOM 249 CG TYR A 16 21.838 -2.469 6.091 1.00 15.32 C ATOM 250 CD1 TYR A 16 20.577 -2.072 6.522 1.00 43.15 C ATOM 251 CD2 TYR A 16 22.618 -3.224 6.958 1.00 73.13 C ATOM 252 CE1 TYR A 16 20.109 -2.417 7.775 1.00 41.33 C ATOM 253 CE2 TYR A 16 22.157 -3.575 8.212 1.00 41.31 C ATOM 254 CZ TYR A 16 20.902 -3.169 8.616 1.00 44.40 C ATOM 255 OH TYR A 16 20.441 -3.515 9.865 1.00 14.42 O ATOM 0 H TYR A 16 23.456 -2.872 2.614 1.00 74.44 H new ATOM 0 HA TYR A 16 21.010 -3.601 3.979 1.00 51.20 H new ATOM 0 HB2 TYR A 16 23.405 -2.338 4.650 1.00 75.01 H new ATOM 0 HB3 TYR A 16 22.265 -1.008 4.598 1.00 75.01 H new ATOM 0 HD1 TYR A 16 19.953 -1.484 5.866 1.00 43.15 H new ATOM 0 HD2 TYR A 16 23.602 -3.542 6.646 1.00 73.13 H new ATOM 0 HE1 TYR A 16 19.127 -2.100 8.094 1.00 41.33 H new ATOM 0 HE2 TYR A 16 22.776 -4.164 8.873 1.00 41.31 H new ATOM 0 HH TYR A 16 21.121 -4.046 10.329 1.00 14.42 H new ATOM 265 N SER A 17 19.426 -1.700 3.438 1.00 25.35 N ATOM 266 CA SER A 17 18.420 -0.796 2.895 1.00 34.13 C ATOM 267 C SER A 17 17.860 0.112 3.986 1.00 42.30 C ATOM 268 O SER A 17 17.666 -0.313 5.125 1.00 3.40 O ATOM 269 CB SER A 17 17.285 -1.592 2.247 1.00 22.23 C ATOM 270 OG SER A 17 17.448 -2.983 2.466 1.00 43.20 O ATOM 0 H SER A 17 19.113 -2.246 4.241 1.00 25.35 H new ATOM 0 HA SER A 17 18.897 -0.174 2.138 1.00 34.13 H new ATOM 0 HB2 SER A 17 16.329 -1.266 2.656 1.00 22.23 H new ATOM 0 HB3 SER A 17 17.260 -1.390 1.176 1.00 22.23 H new ATOM 0 HG SER A 17 17.491 -3.447 1.604 1.00 43.20 H new ATOM 276 N VAL A 18 17.603 1.366 3.628 1.00 13.44 N ATOM 277 CA VAL A 18 17.065 2.336 4.575 1.00 54.11 C ATOM 278 C VAL A 18 15.923 3.134 3.955 1.00 44.42 C ATOM 279 O VAL A 18 16.145 3.985 3.093 1.00 32.33 O ATOM 280 CB VAL A 18 18.154 3.311 5.060 1.00 30.23 C ATOM 281 CG1 VAL A 18 17.561 4.350 6.000 1.00 70.22 C ATOM 282 CG2 VAL A 18 19.285 2.551 5.737 1.00 14.25 C ATOM 0 H VAL A 18 17.759 1.734 2.690 1.00 13.44 H new ATOM 0 HA VAL A 18 16.689 1.771 5.428 1.00 54.11 H new ATOM 0 HB VAL A 18 18.563 3.832 4.194 1.00 30.23 H new ATOM 0 HG11 VAL A 18 18.345 5.030 6.332 1.00 70.22 H new ATOM 0 HG12 VAL A 18 16.789 4.915 5.478 1.00 70.22 H new ATOM 0 HG13 VAL A 18 17.123 3.851 6.865 1.00 70.22 H new ATOM 0 HG21 VAL A 18 20.046 3.255 6.074 1.00 14.25 H new ATOM 0 HG22 VAL A 18 18.893 2.003 6.594 1.00 14.25 H new ATOM 0 HG23 VAL A 18 19.727 1.850 5.029 1.00 14.25 H new ATOM 292 N GLU A 19 14.702 2.854 4.400 1.00 44.44 N ATOM 293 CA GLU A 19 13.526 3.547 3.887 1.00 11.13 C ATOM 294 C GLU A 19 12.889 4.412 4.971 1.00 12.10 C ATOM 295 O GLU A 19 12.878 4.046 6.147 1.00 2.01 O ATOM 296 CB GLU A 19 12.504 2.539 3.357 1.00 12.32 C ATOM 297 CG GLU A 19 11.858 1.698 4.445 1.00 20.02 C ATOM 298 CD GLU A 19 12.761 0.581 4.932 1.00 13.11 C ATOM 299 OE1 GLU A 19 13.634 0.143 4.154 1.00 1.20 O ATOM 300 OE2 GLU A 19 12.594 0.145 6.090 1.00 20.12 O ATOM 0 H GLU A 19 14.502 2.153 5.114 1.00 44.44 H new ATOM 0 HA GLU A 19 13.844 4.194 3.070 1.00 11.13 H new ATOM 0 HB2 GLU A 19 11.726 3.075 2.814 1.00 12.32 H new ATOM 0 HB3 GLU A 19 12.995 1.878 2.642 1.00 12.32 H new ATOM 0 HG2 GLU A 19 11.594 2.339 5.286 1.00 20.02 H new ATOM 0 HG3 GLU A 19 10.930 1.271 4.066 1.00 20.02 H new ATOM 307 N LEU A 20 12.359 5.561 4.567 1.00 42.31 N ATOM 308 CA LEU A 20 11.720 6.480 5.503 1.00 50.14 C ATOM 309 C LEU A 20 10.566 7.222 4.835 1.00 22.32 C ATOM 310 O LEU A 20 10.530 7.397 3.617 1.00 5.00 O ATOM 311 CB LEU A 20 12.742 7.483 6.042 1.00 73.32 C ATOM 312 CG LEU A 20 13.974 7.721 5.168 1.00 30.33 C ATOM 313 CD1 LEU A 20 14.445 9.161 5.292 1.00 45.34 C ATOM 314 CD2 LEU A 20 15.090 6.758 5.547 1.00 41.11 C ATOM 0 H LEU A 20 12.359 5.879 3.598 1.00 42.31 H new ATOM 0 HA LEU A 20 11.321 5.896 6.332 1.00 50.14 H new ATOM 0 HB2 LEU A 20 12.239 8.438 6.194 1.00 73.32 H new ATOM 0 HB3 LEU A 20 13.077 7.140 7.021 1.00 73.32 H new ATOM 0 HG LEU A 20 13.701 7.538 4.129 1.00 30.33 H new ATOM 0 HD11 LEU A 20 15.322 9.312 4.663 1.00 45.34 H new ATOM 0 HD12 LEU A 20 13.649 9.833 4.972 1.00 45.34 H new ATOM 0 HD13 LEU A 20 14.702 9.372 6.330 1.00 45.34 H new ATOM 0 HD21 LEU A 20 15.959 6.941 4.915 1.00 41.11 H new ATOM 0 HD22 LEU A 20 15.362 6.910 6.591 1.00 41.11 H new ATOM 0 HD23 LEU A 20 14.749 5.732 5.406 1.00 41.11 H new ATOM 326 N PRO A 21 9.600 7.670 5.651 1.00 43.35 N ATOM 327 CA PRO A 21 8.429 8.403 5.161 1.00 14.15 C ATOM 328 C PRO A 21 8.786 9.797 4.657 1.00 54.01 C ATOM 329 O PRO A 21 9.900 10.277 4.865 1.00 10.12 O ATOM 330 CB PRO A 21 7.528 8.496 6.396 1.00 74.55 C ATOM 331 CG PRO A 21 8.460 8.402 7.553 1.00 23.34 C ATOM 332 CD PRO A 21 9.578 7.497 7.113 1.00 51.33 C ATOM 0 HA PRO A 21 7.962 7.905 4.311 1.00 14.15 H new ATOM 0 HB2 PRO A 21 6.972 9.433 6.411 1.00 74.55 H new ATOM 0 HB3 PRO A 21 6.794 7.690 6.412 1.00 74.55 H new ATOM 0 HG2 PRO A 21 8.840 9.386 7.829 1.00 23.34 H new ATOM 0 HG3 PRO A 21 7.954 7.999 8.430 1.00 23.34 H new ATOM 0 HD2 PRO A 21 10.528 7.782 7.566 1.00 51.33 H new ATOM 0 HD3 PRO A 21 9.390 6.460 7.392 1.00 51.33 H new ATOM 340 N VAL A 22 7.833 10.443 3.993 1.00 54.14 N ATOM 341 CA VAL A 22 8.046 11.783 3.460 1.00 43.34 C ATOM 342 C VAL A 22 8.697 12.690 4.498 1.00 41.32 C ATOM 343 O VAL A 22 8.173 12.870 5.596 1.00 22.13 O ATOM 344 CB VAL A 22 6.723 12.420 2.995 1.00 41.10 C ATOM 345 CG1 VAL A 22 5.673 12.330 4.091 1.00 33.54 C ATOM 346 CG2 VAL A 22 6.946 13.866 2.577 1.00 71.41 C ATOM 0 H VAL A 22 6.905 10.060 3.811 1.00 54.14 H new ATOM 0 HA VAL A 22 8.711 11.680 2.603 1.00 43.34 H new ATOM 0 HB VAL A 22 6.358 11.867 2.129 1.00 41.10 H new ATOM 0 HG11 VAL A 22 4.745 12.785 3.744 1.00 33.54 H new ATOM 0 HG12 VAL A 22 5.494 11.284 4.338 1.00 33.54 H new ATOM 0 HG13 VAL A 22 6.026 12.857 4.977 1.00 33.54 H new ATOM 0 HG21 VAL A 22 6.001 14.300 2.251 1.00 71.41 H new ATOM 0 HG22 VAL A 22 7.334 14.434 3.423 1.00 71.41 H new ATOM 0 HG23 VAL A 22 7.663 13.901 1.757 1.00 71.41 H new ATOM 356 N GLY A 23 9.844 13.261 4.142 1.00 61.05 N ATOM 357 CA GLY A 23 10.548 14.143 5.053 1.00 3.43 C ATOM 358 C GLY A 23 11.890 14.589 4.508 1.00 5.30 C ATOM 359 O GLY A 23 12.141 14.499 3.306 1.00 54.41 O ATOM 0 H GLY A 23 10.298 13.128 3.238 1.00 61.05 H new ATOM 0 HA2 GLY A 23 9.932 15.019 5.254 1.00 3.43 H new ATOM 0 HA3 GLY A 23 10.697 13.633 6.005 1.00 3.43 H new ATOM 363 N ASP A 24 12.756 15.073 5.393 1.00 75.43 N ATOM 364 CA ASP A 24 14.080 15.535 4.993 1.00 14.24 C ATOM 365 C ASP A 24 15.141 15.062 5.981 1.00 3.35 C ATOM 366 O ASP A 24 14.983 15.206 7.194 1.00 21.41 O ATOM 367 CB ASP A 24 14.102 17.061 4.894 1.00 54.23 C ATOM 368 CG ASP A 24 13.132 17.718 5.856 1.00 54.32 C ATOM 369 OD1 ASP A 24 13.442 17.775 7.064 1.00 52.31 O ATOM 370 OD2 ASP A 24 12.062 18.175 5.401 1.00 74.22 O ATOM 0 H ASP A 24 12.564 15.155 6.391 1.00 75.43 H new ATOM 0 HA ASP A 24 14.306 15.112 4.014 1.00 14.24 H new ATOM 0 HB2 ASP A 24 15.111 17.421 5.097 1.00 54.23 H new ATOM 0 HB3 ASP A 24 13.857 17.360 3.875 1.00 54.23 H new ATOM 375 N TYR A 25 16.222 14.497 5.455 1.00 2.50 N ATOM 376 CA TYR A 25 17.309 14.000 6.291 1.00 75.03 C ATOM 377 C TYR A 25 18.655 14.529 5.806 1.00 71.33 C ATOM 378 O TYR A 25 19.025 14.345 4.647 1.00 3.41 O ATOM 379 CB TYR A 25 17.319 12.470 6.292 1.00 3.45 C ATOM 380 CG TYR A 25 17.044 11.861 4.936 1.00 12.42 C ATOM 381 CD1 TYR A 25 15.774 11.912 4.375 1.00 51.22 C ATOM 382 CD2 TYR A 25 18.054 11.236 4.216 1.00 70.03 C ATOM 383 CE1 TYR A 25 15.518 11.356 3.136 1.00 13.44 C ATOM 384 CE2 TYR A 25 17.807 10.679 2.976 1.00 62.31 C ATOM 385 CZ TYR A 25 16.537 10.741 2.441 1.00 45.02 C ATOM 386 OH TYR A 25 16.287 10.187 1.206 1.00 14.42 O ATOM 0 H TYR A 25 16.369 14.372 4.453 1.00 2.50 H new ATOM 0 HA TYR A 25 17.145 14.357 7.308 1.00 75.03 H new ATOM 0 HB2 TYR A 25 18.289 12.122 6.647 1.00 3.45 H new ATOM 0 HB3 TYR A 25 16.572 12.111 7.000 1.00 3.45 H new ATOM 0 HD1 TYR A 25 14.973 12.394 4.916 1.00 51.22 H new ATOM 0 HD2 TYR A 25 19.049 11.185 4.632 1.00 70.03 H new ATOM 0 HE1 TYR A 25 14.525 11.403 2.715 1.00 13.44 H new ATOM 0 HE2 TYR A 25 18.604 10.198 2.429 1.00 62.31 H new ATOM 0 HH TYR A 25 17.098 10.232 0.657 1.00 14.42 H new ATOM 396 N ASN A 26 19.383 15.186 6.703 1.00 61.32 N ATOM 397 CA ASN A 26 20.689 15.742 6.368 1.00 61.22 C ATOM 398 C ASN A 26 21.798 14.732 6.646 1.00 21.25 C ATOM 399 O ASN A 26 21.533 13.554 6.893 1.00 41.32 O ATOM 400 CB ASN A 26 20.940 17.024 7.164 1.00 51.12 C ATOM 401 CG ASN A 26 19.776 17.993 7.081 1.00 43.12 C ATOM 402 OD1 ASN A 26 19.637 18.731 6.105 1.00 2.35 O ATOM 403 ND2 ASN A 26 18.934 17.995 8.107 1.00 33.22 N ATOM 0 H ASN A 26 19.091 15.346 7.667 1.00 61.32 H new ATOM 0 HA ASN A 26 20.694 15.976 5.304 1.00 61.22 H new ATOM 0 HB2 ASN A 26 21.124 16.770 8.208 1.00 51.12 H new ATOM 0 HB3 ASN A 26 21.841 17.510 6.790 1.00 51.12 H new ATOM 0 HD21 ASN A 26 18.132 18.626 8.108 1.00 33.22 H new ATOM 0 HD22 ASN A 26 19.089 17.366 8.895 1.00 33.22 H new ATOM 410 N LEU A 27 23.041 15.200 6.607 1.00 74.15 N ATOM 411 CA LEU A 27 24.191 14.338 6.855 1.00 2.34 C ATOM 412 C LEU A 27 24.053 13.618 8.193 1.00 51.11 C ATOM 413 O LEU A 27 24.168 12.395 8.265 1.00 34.42 O ATOM 414 CB LEU A 27 25.482 15.159 6.836 1.00 13.44 C ATOM 415 CG LEU A 27 26.695 14.518 7.511 1.00 42.33 C ATOM 416 CD1 LEU A 27 27.972 14.883 6.770 1.00 62.14 C ATOM 417 CD2 LEU A 27 26.782 14.945 8.969 1.00 63.41 C ATOM 0 H LEU A 27 23.278 16.172 6.406 1.00 74.15 H new ATOM 0 HA LEU A 27 24.231 13.590 6.063 1.00 2.34 H new ATOM 0 HB2 LEU A 27 25.739 15.371 5.798 1.00 13.44 H new ATOM 0 HB3 LEU A 27 25.287 16.117 7.318 1.00 13.44 H new ATOM 0 HG LEU A 27 26.576 13.435 7.477 1.00 42.33 H new ATOM 0 HD11 LEU A 27 28.825 14.418 7.264 1.00 62.14 H new ATOM 0 HD12 LEU A 27 27.910 14.527 5.742 1.00 62.14 H new ATOM 0 HD13 LEU A 27 28.097 15.966 6.772 1.00 62.14 H new ATOM 0 HD21 LEU A 27 27.651 14.479 9.433 1.00 63.41 H new ATOM 0 HD22 LEU A 27 26.878 16.029 9.025 1.00 63.41 H new ATOM 0 HD23 LEU A 27 25.879 14.633 9.494 1.00 63.41 H new ATOM 429 N SER A 28 23.804 14.385 9.249 1.00 12.33 N ATOM 430 CA SER A 28 23.651 13.821 10.585 1.00 21.41 C ATOM 431 C SER A 28 22.419 12.924 10.658 1.00 11.03 C ATOM 432 O SER A 28 22.381 11.964 11.428 1.00 60.13 O ATOM 433 CB SER A 28 23.545 14.938 11.625 1.00 64.20 C ATOM 434 OG SER A 28 23.962 14.487 12.902 1.00 31.32 O ATOM 0 H SER A 28 23.704 15.399 9.206 1.00 12.33 H new ATOM 0 HA SER A 28 24.532 13.217 10.800 1.00 21.41 H new ATOM 0 HB2 SER A 28 24.158 15.785 11.317 1.00 64.20 H new ATOM 0 HB3 SER A 28 22.516 15.292 11.679 1.00 64.20 H new ATOM 0 HG SER A 28 23.886 15.220 13.548 1.00 31.32 H new ATOM 440 N SER A 29 21.412 13.245 9.852 1.00 44.23 N ATOM 441 CA SER A 29 20.176 12.472 9.827 1.00 42.13 C ATOM 442 C SER A 29 20.381 11.143 9.107 1.00 63.34 C ATOM 443 O SER A 29 19.711 10.153 9.403 1.00 73.23 O ATOM 444 CB SER A 29 19.065 13.270 9.142 1.00 33.20 C ATOM 445 OG SER A 29 17.786 12.797 9.528 1.00 72.34 O ATOM 0 H SER A 29 21.428 14.035 9.207 1.00 44.23 H new ATOM 0 HA SER A 29 19.884 12.266 10.857 1.00 42.13 H new ATOM 0 HB2 SER A 29 19.159 14.325 9.399 1.00 33.20 H new ATOM 0 HB3 SER A 29 19.173 13.195 8.060 1.00 33.20 H new ATOM 0 HG SER A 29 17.115 13.489 9.352 1.00 72.34 H new ATOM 451 N LEU A 30 21.313 11.128 8.159 1.00 34.04 N ATOM 452 CA LEU A 30 21.608 9.921 7.395 1.00 32.34 C ATOM 453 C LEU A 30 22.112 8.808 8.309 1.00 75.22 C ATOM 454 O LEU A 30 21.583 7.696 8.297 1.00 24.54 O ATOM 455 CB LEU A 30 22.648 10.219 6.315 1.00 42.24 C ATOM 456 CG LEU A 30 22.135 10.946 5.071 1.00 12.12 C ATOM 457 CD1 LEU A 30 23.241 11.782 4.446 1.00 23.25 C ATOM 458 CD2 LEU A 30 21.581 9.951 4.062 1.00 62.20 C ATOM 0 H LEU A 30 21.877 11.938 7.902 1.00 34.04 H new ATOM 0 HA LEU A 30 20.686 9.587 6.920 1.00 32.34 H new ATOM 0 HB2 LEU A 30 23.443 10.818 6.760 1.00 42.24 H new ATOM 0 HB3 LEU A 30 23.097 9.277 6.001 1.00 42.24 H new ATOM 0 HG LEU A 30 21.329 11.615 5.372 1.00 12.12 H new ATOM 0 HD11 LEU A 30 22.857 12.292 3.562 1.00 23.25 H new ATOM 0 HD12 LEU A 30 23.591 12.520 5.167 1.00 23.25 H new ATOM 0 HD13 LEU A 30 24.069 11.134 4.160 1.00 23.25 H new ATOM 0 HD21 LEU A 30 21.221 10.486 3.183 1.00 62.20 H new ATOM 0 HD22 LEU A 30 22.367 9.256 3.767 1.00 62.20 H new ATOM 0 HD23 LEU A 30 20.758 9.397 4.512 1.00 62.20 H new ATOM 470 N ILE A 31 23.134 9.116 9.100 1.00 73.02 N ATOM 471 CA ILE A 31 23.706 8.143 10.022 1.00 71.32 C ATOM 472 C ILE A 31 22.669 7.669 11.034 1.00 32.32 C ATOM 473 O ILE A 31 22.758 6.557 11.556 1.00 44.31 O ATOM 474 CB ILE A 31 24.915 8.726 10.777 1.00 71.21 C ATOM 475 CG1 ILE A 31 26.003 9.153 9.790 1.00 61.24 C ATOM 476 CG2 ILE A 31 25.461 7.709 11.768 1.00 11.02 C ATOM 477 CD1 ILE A 31 26.071 10.649 9.575 1.00 23.42 C ATOM 0 H ILE A 31 23.583 10.032 9.121 1.00 73.02 H new ATOM 0 HA ILE A 31 24.037 7.296 9.421 1.00 71.32 H new ATOM 0 HB ILE A 31 24.588 9.606 11.332 1.00 71.21 H new ATOM 0 HG12 ILE A 31 26.969 8.802 10.153 1.00 61.24 H new ATOM 0 HG13 ILE A 31 25.825 8.664 8.832 1.00 61.24 H new ATOM 0 HG21 ILE A 31 26.315 8.136 12.294 1.00 11.02 H new ATOM 0 HG22 ILE A 31 24.685 7.449 12.488 1.00 11.02 H new ATOM 0 HG23 ILE A 31 25.775 6.812 11.233 1.00 11.02 H new ATOM 0 HD11 ILE A 31 26.864 10.879 8.864 1.00 23.42 H new ATOM 0 HD12 ILE A 31 25.118 11.004 9.183 1.00 23.42 H new ATOM 0 HD13 ILE A 31 26.280 11.144 10.524 1.00 23.42 H new ATOM 489 N SER A 32 21.684 8.519 11.306 1.00 33.41 N ATOM 490 CA SER A 32 20.630 8.188 12.258 1.00 74.32 C ATOM 491 C SER A 32 19.966 6.863 11.894 1.00 20.35 C ATOM 492 O SER A 32 19.450 6.157 12.761 1.00 75.44 O ATOM 493 CB SER A 32 19.582 9.302 12.298 1.00 33.42 C ATOM 494 OG SER A 32 19.291 9.680 13.632 1.00 2.45 O ATOM 0 H SER A 32 21.594 9.442 10.881 1.00 33.41 H new ATOM 0 HA SER A 32 21.083 8.089 13.244 1.00 74.32 H new ATOM 0 HB2 SER A 32 19.945 10.167 11.742 1.00 33.42 H new ATOM 0 HB3 SER A 32 18.670 8.966 11.805 1.00 33.42 H new ATOM 0 HG SER A 32 18.620 10.394 13.631 1.00 2.45 H new ATOM 500 N ARG A 33 19.984 6.532 10.607 1.00 4.43 N ATOM 501 CA ARG A 33 19.384 5.293 10.128 1.00 52.52 C ATOM 502 C ARG A 33 20.427 4.411 9.449 1.00 70.04 C ATOM 503 O ARG A 33 20.096 3.573 8.611 1.00 54.11 O ATOM 504 CB ARG A 33 18.245 5.598 9.153 1.00 72.30 C ATOM 505 CG ARG A 33 17.122 6.419 9.765 1.00 3.52 C ATOM 506 CD ARG A 33 16.498 7.358 8.744 1.00 30.33 C ATOM 507 NE ARG A 33 15.183 7.832 9.169 1.00 64.35 N ATOM 508 CZ ARG A 33 15.004 8.822 10.036 1.00 73.23 C ATOM 509 NH1 ARG A 33 16.049 9.439 10.568 1.00 44.54 N ATOM 510 NH2 ARG A 33 13.776 9.196 10.372 1.00 10.21 N ATOM 0 H ARG A 33 20.408 7.105 9.877 1.00 4.43 H new ATOM 0 HA ARG A 33 18.984 4.756 10.988 1.00 52.52 H new ATOM 0 HB2 ARG A 33 18.648 6.133 8.293 1.00 72.30 H new ATOM 0 HB3 ARG A 33 17.836 4.659 8.781 1.00 72.30 H new ATOM 0 HG2 ARG A 33 16.357 5.752 10.163 1.00 3.52 H new ATOM 0 HG3 ARG A 33 17.508 6.997 10.604 1.00 3.52 H new ATOM 0 HD2 ARG A 33 17.157 8.211 8.586 1.00 30.33 H new ATOM 0 HD3 ARG A 33 16.406 6.844 7.787 1.00 30.33 H new ATOM 0 HE ARG A 33 14.357 7.378 8.779 1.00 64.35 H new ATOM 0 HH11 ARG A 33 16.994 9.154 10.312 1.00 44.54 H new ATOM 0 HH12 ARG A 33 15.908 10.199 11.234 1.00 44.54 H new ATOM 0 HH21 ARG A 33 12.969 8.723 9.964 1.00 10.21 H new ATOM 0 HH22 ARG A 33 13.639 9.956 11.038 1.00 10.21 H new ATOM 524 N GLY A 34 21.690 4.606 9.816 1.00 51.30 N ATOM 525 CA GLY A 34 22.762 3.822 9.232 1.00 21.31 C ATOM 526 C GLY A 34 23.022 4.183 7.783 1.00 4.22 C ATOM 527 O GLY A 34 23.249 3.307 6.949 1.00 0.31 O ATOM 0 H GLY A 34 21.990 5.293 10.508 1.00 51.30 H new ATOM 0 HA2 GLY A 34 23.674 3.972 9.810 1.00 21.31 H new ATOM 0 HA3 GLY A 34 22.512 2.763 9.300 1.00 21.31 H new ATOM 531 N ALA A 35 22.988 5.477 7.483 1.00 43.34 N ATOM 532 CA ALA A 35 23.223 5.952 6.125 1.00 53.53 C ATOM 533 C ALA A 35 24.350 6.978 6.089 1.00 4.41 C ATOM 534 O ALA A 35 24.906 7.341 7.127 1.00 43.44 O ATOM 535 CB ALA A 35 21.947 6.547 5.546 1.00 63.10 C ATOM 0 H ALA A 35 22.800 6.215 8.162 1.00 43.34 H new ATOM 0 HA ALA A 35 23.523 5.100 5.516 1.00 53.53 H new ATOM 0 HB1 ALA A 35 22.137 6.898 4.532 1.00 63.10 H new ATOM 0 HB2 ALA A 35 21.167 5.786 5.527 1.00 63.10 H new ATOM 0 HB3 ALA A 35 21.622 7.384 6.164 1.00 63.10 H new ATOM 541 N LEU A 36 24.684 7.442 4.890 1.00 43.02 N ATOM 542 CA LEU A 36 25.747 8.427 4.719 1.00 61.41 C ATOM 543 C LEU A 36 25.370 9.457 3.659 1.00 71.41 C ATOM 544 O LEU A 36 24.268 9.424 3.113 1.00 41.44 O ATOM 545 CB LEU A 36 27.054 7.733 4.330 1.00 10.12 C ATOM 546 CG LEU A 36 28.178 7.791 5.365 1.00 20.02 C ATOM 547 CD1 LEU A 36 28.573 9.233 5.644 1.00 64.21 C ATOM 548 CD2 LEU A 36 27.756 7.094 6.650 1.00 21.24 C ATOM 0 H LEU A 36 24.234 7.152 4.022 1.00 43.02 H new ATOM 0 HA LEU A 36 25.886 8.944 5.668 1.00 61.41 H new ATOM 0 HB2 LEU A 36 26.837 6.686 4.117 1.00 10.12 H new ATOM 0 HB3 LEU A 36 27.417 8.178 3.404 1.00 10.12 H new ATOM 0 HG LEU A 36 29.046 7.270 4.960 1.00 20.02 H new ATOM 0 HD11 LEU A 36 29.374 9.254 6.383 1.00 64.21 H new ATOM 0 HD12 LEU A 36 28.917 9.701 4.722 1.00 64.21 H new ATOM 0 HD13 LEU A 36 27.711 9.779 6.028 1.00 64.21 H new ATOM 0 HD21 LEU A 36 28.568 7.145 7.375 1.00 21.24 H new ATOM 0 HD22 LEU A 36 26.874 7.587 7.058 1.00 21.24 H new ATOM 0 HD23 LEU A 36 27.524 6.050 6.438 1.00 21.24 H new ATOM 560 N ASN A 37 26.293 10.368 3.372 1.00 5.30 N ATOM 561 CA ASN A 37 26.058 11.407 2.376 1.00 43.22 C ATOM 562 C ASN A 37 26.929 11.186 1.143 1.00 61.52 C ATOM 563 O ASN A 37 26.447 10.741 0.101 1.00 34.42 O ATOM 564 CB ASN A 37 26.341 12.788 2.972 1.00 74.31 C ATOM 565 CG ASN A 37 27.387 12.741 4.068 1.00 1.05 C ATOM 566 OD1 ASN A 37 28.570 12.981 3.824 1.00 15.31 O ATOM 567 ND2 ASN A 37 26.955 12.430 5.285 1.00 3.32 N ATOM 0 H ASN A 37 27.211 10.408 3.815 1.00 5.30 H new ATOM 0 HA ASN A 37 25.012 11.356 2.075 1.00 43.22 H new ATOM 0 HB2 ASN A 37 26.676 13.460 2.182 1.00 74.31 H new ATOM 0 HB3 ASN A 37 25.417 13.204 3.373 1.00 74.31 H new ATOM 0 HD21 ASN A 37 27.613 12.383 6.063 1.00 3.32 H new ATOM 0 HD22 ASN A 37 25.965 12.239 5.441 1.00 3.32 H new ATOM 574 N ASP A 38 28.214 11.498 1.269 1.00 40.31 N ATOM 575 CA ASP A 38 29.153 11.332 0.166 1.00 63.11 C ATOM 576 C ASP A 38 29.748 9.927 0.166 1.00 4.31 C ATOM 577 O ASP A 38 30.908 9.734 0.533 1.00 74.40 O ATOM 578 CB ASP A 38 30.270 12.373 0.258 1.00 64.42 C ATOM 579 CG ASP A 38 30.860 12.468 1.651 1.00 34.24 C ATOM 580 OD1 ASP A 38 30.707 11.501 2.428 1.00 51.51 O ATOM 581 OD2 ASP A 38 31.474 13.508 1.965 1.00 3.33 O ATOM 0 H ASP A 38 28.629 11.867 2.124 1.00 40.31 H new ATOM 0 HA ASP A 38 28.609 11.476 -0.767 1.00 63.11 H new ATOM 0 HB2 ASP A 38 31.058 12.119 -0.451 1.00 64.42 H new ATOM 0 HB3 ASP A 38 29.879 13.347 -0.035 1.00 64.42 H new ATOM 586 N ASP A 39 28.948 8.951 -0.246 1.00 55.03 N ATOM 587 CA ASP A 39 29.395 7.564 -0.294 1.00 33.22 C ATOM 588 C ASP A 39 28.267 6.645 -0.754 1.00 23.24 C ATOM 589 O ASP A 39 28.509 5.617 -1.388 1.00 42.24 O ATOM 590 CB ASP A 39 29.902 7.122 1.080 1.00 73.32 C ATOM 591 CG ASP A 39 29.995 5.614 1.205 1.00 72.33 C ATOM 592 OD1 ASP A 39 31.052 5.053 0.849 1.00 64.41 O ATOM 593 OD2 ASP A 39 29.010 4.995 1.659 1.00 23.42 O ATOM 0 H ASP A 39 27.986 9.094 -0.552 1.00 55.03 H new ATOM 0 HA ASP A 39 30.211 7.495 -1.013 1.00 33.22 H new ATOM 0 HB2 ASP A 39 30.884 7.560 1.260 1.00 73.32 H new ATOM 0 HB3 ASP A 39 29.235 7.507 1.851 1.00 73.32 H new ATOM 598 N LEU A 40 27.035 7.020 -0.429 1.00 2.34 N ATOM 599 CA LEU A 40 25.869 6.229 -0.807 1.00 43.52 C ATOM 600 C LEU A 40 25.941 5.822 -2.275 1.00 62.13 C ATOM 601 O LEU A 40 26.457 6.564 -3.111 1.00 64.42 O ATOM 602 CB LEU A 40 24.586 7.020 -0.548 1.00 11.40 C ATOM 603 CG LEU A 40 23.561 6.354 0.370 1.00 34.01 C ATOM 604 CD1 LEU A 40 24.202 5.964 1.693 1.00 42.23 C ATOM 605 CD2 LEU A 40 22.373 7.277 0.603 1.00 44.13 C ATOM 0 H LEU A 40 26.817 7.867 0.096 1.00 2.34 H new ATOM 0 HA LEU A 40 25.860 5.325 -0.198 1.00 43.52 H new ATOM 0 HB2 LEU A 40 24.858 7.984 -0.117 1.00 11.40 H new ATOM 0 HB3 LEU A 40 24.108 7.223 -1.506 1.00 11.40 H new ATOM 0 HG LEU A 40 23.202 5.448 -0.117 1.00 34.01 H new ATOM 0 HD11 LEU A 40 23.457 5.491 2.333 1.00 42.23 H new ATOM 0 HD12 LEU A 40 25.018 5.265 1.510 1.00 42.23 H new ATOM 0 HD13 LEU A 40 24.591 6.855 2.186 1.00 42.23 H new ATOM 0 HD21 LEU A 40 21.654 6.786 1.259 1.00 44.13 H new ATOM 0 HD22 LEU A 40 22.716 8.201 1.068 1.00 44.13 H new ATOM 0 HD23 LEU A 40 21.897 7.506 -0.351 1.00 44.13 H new ATOM 617 N SER A 41 25.418 4.639 -2.582 1.00 41.11 N ATOM 618 CA SER A 41 25.424 4.132 -3.949 1.00 43.03 C ATOM 619 C SER A 41 24.199 4.620 -4.715 1.00 53.55 C ATOM 620 O SER A 41 24.316 5.177 -5.807 1.00 65.32 O ATOM 621 CB SER A 41 25.463 2.603 -3.948 1.00 61.42 C ATOM 622 OG SER A 41 26.784 2.126 -3.760 1.00 43.13 O ATOM 0 H SER A 41 24.985 4.014 -1.902 1.00 41.11 H new ATOM 0 HA SER A 41 26.317 4.511 -4.447 1.00 43.03 H new ATOM 0 HB2 SER A 41 24.819 2.220 -3.156 1.00 61.42 H new ATOM 0 HB3 SER A 41 25.068 2.226 -4.891 1.00 61.42 H new ATOM 0 HG SER A 41 26.966 2.037 -2.801 1.00 43.13 H new ATOM 628 N SER A 42 23.022 4.408 -4.135 1.00 21.03 N ATOM 629 CA SER A 42 21.773 4.823 -4.763 1.00 64.53 C ATOM 630 C SER A 42 20.577 4.442 -3.897 1.00 14.42 C ATOM 631 O SER A 42 20.722 4.158 -2.708 1.00 42.33 O ATOM 632 CB SER A 42 21.638 4.185 -6.147 1.00 64.14 C ATOM 633 OG SER A 42 21.193 5.131 -7.104 1.00 12.25 O ATOM 0 H SER A 42 22.907 3.951 -3.230 1.00 21.03 H new ATOM 0 HA SER A 42 21.791 5.908 -4.870 1.00 64.53 H new ATOM 0 HB2 SER A 42 22.599 3.774 -6.457 1.00 64.14 H new ATOM 0 HB3 SER A 42 20.936 3.353 -6.100 1.00 64.14 H new ATOM 0 HG SER A 42 20.507 5.704 -6.703 1.00 12.25 H new ATOM 639 N ALA A 43 19.393 4.440 -4.502 1.00 23.33 N ATOM 640 CA ALA A 43 18.171 4.093 -3.787 1.00 70.13 C ATOM 641 C ALA A 43 17.066 3.683 -4.756 1.00 5.43 C ATOM 642 O ALA A 43 17.020 4.152 -5.893 1.00 11.30 O ATOM 643 CB ALA A 43 17.714 5.261 -2.926 1.00 32.34 C ATOM 0 H ALA A 43 19.255 4.675 -5.485 1.00 23.33 H new ATOM 0 HA ALA A 43 18.386 3.242 -3.141 1.00 70.13 H new ATOM 0 HB1 ALA A 43 16.800 4.988 -2.398 1.00 32.34 H new ATOM 0 HB2 ALA A 43 18.492 5.506 -2.203 1.00 32.34 H new ATOM 0 HB3 ALA A 43 17.522 6.127 -3.560 1.00 32.34 H new ATOM 649 N ARG A 44 16.180 2.806 -4.298 1.00 32.33 N ATOM 650 CA ARG A 44 15.077 2.332 -5.125 1.00 33.22 C ATOM 651 C ARG A 44 13.760 2.970 -4.692 1.00 73.41 C ATOM 652 O ARG A 44 13.276 2.731 -3.586 1.00 30.34 O ATOM 653 CB ARG A 44 14.969 0.808 -5.044 1.00 35.13 C ATOM 654 CG ARG A 44 14.831 0.134 -6.399 1.00 50.12 C ATOM 655 CD ARG A 44 14.886 -1.381 -6.276 1.00 45.45 C ATOM 656 NE ARG A 44 14.330 -2.046 -7.452 1.00 12.45 N ATOM 657 CZ ARG A 44 14.144 -3.358 -7.534 1.00 31.31 C ATOM 658 NH1 ARG A 44 14.468 -4.142 -6.515 1.00 62.31 N ATOM 659 NH2 ARG A 44 13.632 -3.889 -8.637 1.00 61.20 N ATOM 0 H ARG A 44 16.204 2.409 -3.359 1.00 32.33 H new ATOM 0 HA ARG A 44 15.279 2.621 -6.157 1.00 33.22 H new ATOM 0 HB2 ARG A 44 15.853 0.416 -4.541 1.00 35.13 H new ATOM 0 HB3 ARG A 44 14.109 0.545 -4.428 1.00 35.13 H new ATOM 0 HG2 ARG A 44 13.888 0.429 -6.859 1.00 50.12 H new ATOM 0 HG3 ARG A 44 15.628 0.476 -7.059 1.00 50.12 H new ATOM 0 HD2 ARG A 44 15.920 -1.696 -6.136 1.00 45.45 H new ATOM 0 HD3 ARG A 44 14.335 -1.693 -5.389 1.00 45.45 H new ATOM 0 HE ARG A 44 14.071 -1.471 -8.254 1.00 12.45 H new ATOM 0 HH11 ARG A 44 14.861 -3.737 -5.665 1.00 62.31 H new ATOM 0 HH12 ARG A 44 14.324 -5.150 -6.581 1.00 62.31 H new ATOM 0 HH21 ARG A 44 13.381 -3.289 -9.423 1.00 61.20 H new ATOM 0 HH22 ARG A 44 13.489 -4.897 -8.699 1.00 61.20 H new ATOM 673 N VAL A 45 13.185 3.783 -5.572 1.00 74.25 N ATOM 674 CA VAL A 45 11.924 4.455 -5.282 1.00 73.23 C ATOM 675 C VAL A 45 10.819 3.977 -6.218 1.00 14.43 C ATOM 676 O VAL A 45 10.957 3.991 -7.441 1.00 5.20 O ATOM 677 CB VAL A 45 12.061 5.984 -5.406 1.00 61.12 C ATOM 678 CG1 VAL A 45 12.711 6.356 -6.730 1.00 51.32 C ATOM 679 CG2 VAL A 45 10.703 6.654 -5.262 1.00 70.13 C ATOM 0 H VAL A 45 13.572 3.992 -6.492 1.00 74.25 H new ATOM 0 HA VAL A 45 11.660 4.204 -4.255 1.00 73.23 H new ATOM 0 HB VAL A 45 12.703 6.341 -4.601 1.00 61.12 H new ATOM 0 HG11 VAL A 45 12.800 7.440 -6.800 1.00 51.32 H new ATOM 0 HG12 VAL A 45 13.702 5.906 -6.788 1.00 51.32 H new ATOM 0 HG13 VAL A 45 12.098 5.988 -7.553 1.00 51.32 H new ATOM 0 HG21 VAL A 45 10.819 7.734 -5.352 1.00 70.13 H new ATOM 0 HG22 VAL A 45 10.035 6.294 -6.044 1.00 70.13 H new ATOM 0 HG23 VAL A 45 10.281 6.415 -4.286 1.00 70.13 H new ATOM 689 N PRO A 46 9.693 3.545 -5.631 1.00 73.30 N ATOM 690 CA PRO A 46 8.540 3.056 -6.394 1.00 23.54 C ATOM 691 C PRO A 46 7.832 4.172 -7.153 1.00 73.22 C ATOM 692 O PRO A 46 8.230 5.334 -7.081 1.00 54.40 O ATOM 693 CB PRO A 46 7.622 2.476 -5.315 1.00 74.21 C ATOM 694 CG PRO A 46 7.986 3.211 -4.072 1.00 10.02 C ATOM 695 CD PRO A 46 9.458 3.500 -4.178 1.00 12.30 C ATOM 0 HA PRO A 46 8.832 2.335 -7.157 1.00 23.54 H new ATOM 0 HB2 PRO A 46 6.572 2.622 -5.568 1.00 74.21 H new ATOM 0 HB3 PRO A 46 7.775 1.403 -5.200 1.00 74.21 H new ATOM 0 HG2 PRO A 46 7.413 4.134 -3.982 1.00 10.02 H new ATOM 0 HG3 PRO A 46 7.768 2.613 -3.187 1.00 10.02 H new ATOM 0 HD2 PRO A 46 9.718 4.444 -3.700 1.00 12.30 H new ATOM 0 HD3 PRO A 46 10.055 2.725 -3.698 1.00 12.30 H new ATOM 703 N SER A 47 6.780 3.811 -7.881 1.00 35.21 N ATOM 704 CA SER A 47 6.017 4.782 -8.657 1.00 3.12 C ATOM 705 C SER A 47 5.060 5.562 -7.761 1.00 35.31 C ATOM 706 O SER A 47 4.190 4.983 -7.111 1.00 11.31 O ATOM 707 CB SER A 47 5.236 4.078 -9.768 1.00 14.42 C ATOM 708 OG SER A 47 5.624 4.555 -11.045 1.00 34.22 O ATOM 0 H SER A 47 6.437 2.853 -7.950 1.00 35.21 H new ATOM 0 HA SER A 47 6.719 5.484 -9.106 1.00 3.12 H new ATOM 0 HB2 SER A 47 5.406 3.003 -9.711 1.00 14.42 H new ATOM 0 HB3 SER A 47 4.168 4.240 -9.625 1.00 14.42 H new ATOM 0 HG SER A 47 5.112 4.088 -11.738 1.00 34.22 H new ATOM 714 N GLY A 48 5.227 6.881 -7.732 1.00 72.44 N ATOM 715 CA GLY A 48 4.371 7.719 -6.914 1.00 1.34 C ATOM 716 C GLY A 48 5.119 8.359 -5.761 1.00 15.43 C ATOM 717 O GLY A 48 4.553 8.577 -4.688 1.00 74.14 O ATOM 0 H GLY A 48 5.940 7.384 -8.261 1.00 72.44 H new ATOM 0 HA2 GLY A 48 3.930 8.499 -7.535 1.00 1.34 H new ATOM 0 HA3 GLY A 48 3.549 7.121 -6.522 1.00 1.34 H new ATOM 721 N LEU A 49 6.394 8.661 -5.979 1.00 73.21 N ATOM 722 CA LEU A 49 7.221 9.279 -4.949 1.00 21.33 C ATOM 723 C LEU A 49 8.419 9.992 -5.567 1.00 62.24 C ATOM 724 O LEU A 49 9.108 9.439 -6.425 1.00 53.35 O ATOM 725 CB LEU A 49 7.701 8.223 -3.951 1.00 70.01 C ATOM 726 CG LEU A 49 8.213 8.750 -2.610 1.00 53.21 C ATOM 727 CD1 LEU A 49 8.246 7.636 -1.576 1.00 33.31 C ATOM 728 CD2 LEU A 49 9.593 9.371 -2.773 1.00 32.55 C ATOM 0 H LEU A 49 6.878 8.488 -6.860 1.00 73.21 H new ATOM 0 HA LEU A 49 6.614 10.017 -4.425 1.00 21.33 H new ATOM 0 HB2 LEU A 49 6.879 7.534 -3.758 1.00 70.01 H new ATOM 0 HB3 LEU A 49 8.498 7.645 -4.419 1.00 70.01 H new ATOM 0 HG LEU A 49 7.528 9.522 -2.259 1.00 53.21 H new ATOM 0 HD11 LEU A 49 8.613 8.030 -0.628 1.00 33.31 H new ATOM 0 HD12 LEU A 49 7.241 7.237 -1.438 1.00 33.31 H new ATOM 0 HD13 LEU A 49 8.908 6.841 -1.919 1.00 33.31 H new ATOM 0 HD21 LEU A 49 9.942 9.741 -1.809 1.00 32.55 H new ATOM 0 HD22 LEU A 49 10.288 8.619 -3.147 1.00 32.55 H new ATOM 0 HD23 LEU A 49 9.538 10.198 -3.481 1.00 32.55 H new ATOM 740 N ARG A 50 8.663 11.221 -5.125 1.00 21.15 N ATOM 741 CA ARG A 50 9.779 12.009 -5.634 1.00 53.20 C ATOM 742 C ARG A 50 10.744 12.375 -4.510 1.00 53.52 C ATOM 743 O ARG A 50 10.342 12.521 -3.355 1.00 54.40 O ATOM 744 CB ARG A 50 9.265 13.280 -6.314 1.00 32.33 C ATOM 745 CG ARG A 50 10.370 14.161 -6.873 1.00 73.43 C ATOM 746 CD ARG A 50 10.715 15.295 -5.920 1.00 75.55 C ATOM 747 NE ARG A 50 10.635 16.600 -6.571 1.00 75.41 N ATOM 748 CZ ARG A 50 9.492 17.170 -6.937 1.00 32.24 C ATOM 749 NH1 ARG A 50 8.339 16.553 -6.716 1.00 0.01 N ATOM 750 NH2 ARG A 50 9.501 18.360 -7.524 1.00 34.33 N ATOM 0 H ARG A 50 8.103 11.693 -4.415 1.00 21.15 H new ATOM 0 HA ARG A 50 10.314 11.404 -6.366 1.00 53.20 H new ATOM 0 HB2 ARG A 50 8.590 13.001 -7.123 1.00 32.33 H new ATOM 0 HB3 ARG A 50 8.681 13.856 -5.596 1.00 32.33 H new ATOM 0 HG2 ARG A 50 11.259 13.558 -7.059 1.00 73.43 H new ATOM 0 HG3 ARG A 50 10.058 14.573 -7.833 1.00 73.43 H new ATOM 0 HD2 ARG A 50 10.035 15.272 -5.068 1.00 75.55 H new ATOM 0 HD3 ARG A 50 11.721 15.146 -5.529 1.00 75.55 H new ATOM 0 HE ARG A 50 11.504 17.101 -6.755 1.00 75.41 H new ATOM 0 HH11 ARG A 50 8.328 15.639 -6.264 1.00 0.01 H new ATOM 0 HH12 ARG A 50 7.463 16.993 -6.998 1.00 0.01 H new ATOM 0 HH21 ARG A 50 10.386 18.838 -7.695 1.00 34.33 H new ATOM 0 HH22 ARG A 50 8.623 18.797 -7.805 1.00 34.33 H new ATOM 764 N LEU A 51 12.018 12.522 -4.856 1.00 11.00 N ATOM 765 CA LEU A 51 13.041 12.871 -3.877 1.00 22.15 C ATOM 766 C LEU A 51 14.006 13.908 -4.443 1.00 21.41 C ATOM 767 O LEU A 51 14.331 13.883 -5.629 1.00 44.13 O ATOM 768 CB LEU A 51 13.812 11.621 -3.448 1.00 33.05 C ATOM 769 CG LEU A 51 14.614 10.918 -4.543 1.00 72.12 C ATOM 770 CD1 LEU A 51 16.071 11.351 -4.499 1.00 70.02 C ATOM 771 CD2 LEU A 51 14.500 9.407 -4.401 1.00 50.13 C ATOM 0 H LEU A 51 12.367 12.405 -5.807 1.00 11.00 H new ATOM 0 HA LEU A 51 12.544 13.301 -3.007 1.00 22.15 H new ATOM 0 HB2 LEU A 51 14.496 11.898 -2.646 1.00 33.05 H new ATOM 0 HB3 LEU A 51 13.103 10.907 -3.030 1.00 33.05 H new ATOM 0 HG LEU A 51 14.200 11.204 -5.510 1.00 72.12 H new ATOM 0 HD11 LEU A 51 16.626 10.840 -5.286 1.00 70.02 H new ATOM 0 HD12 LEU A 51 16.135 12.429 -4.651 1.00 70.02 H new ATOM 0 HD13 LEU A 51 16.498 11.095 -3.529 1.00 70.02 H new ATOM 0 HD21 LEU A 51 15.077 8.923 -5.189 1.00 50.13 H new ATOM 0 HD22 LEU A 51 14.887 9.103 -3.429 1.00 50.13 H new ATOM 0 HD23 LEU A 51 13.454 9.112 -4.484 1.00 50.13 H new ATOM 783 N GLU A 52 14.461 14.816 -3.585 1.00 64.33 N ATOM 784 CA GLU A 52 15.390 15.860 -4.001 1.00 25.20 C ATOM 785 C GLU A 52 16.754 15.667 -3.344 1.00 44.42 C ATOM 786 O GLU A 52 16.868 15.640 -2.119 1.00 15.44 O ATOM 787 CB GLU A 52 14.832 17.240 -3.648 1.00 44.10 C ATOM 788 CG GLU A 52 13.599 17.621 -4.449 1.00 73.22 C ATOM 789 CD GLU A 52 13.539 19.104 -4.758 1.00 52.23 C ATOM 790 OE1 GLU A 52 13.523 19.908 -3.803 1.00 11.41 O ATOM 791 OE2 GLU A 52 13.507 19.461 -5.955 1.00 25.34 O ATOM 0 H GLU A 52 14.202 14.850 -2.599 1.00 64.33 H new ATOM 0 HA GLU A 52 15.514 15.792 -5.082 1.00 25.20 H new ATOM 0 HB2 GLU A 52 14.586 17.263 -2.586 1.00 44.10 H new ATOM 0 HB3 GLU A 52 15.607 17.989 -3.812 1.00 44.10 H new ATOM 0 HG2 GLU A 52 13.589 17.059 -5.383 1.00 73.22 H new ATOM 0 HG3 GLU A 52 12.706 17.333 -3.894 1.00 73.22 H new ATOM 798 N VAL A 53 17.788 15.533 -4.169 1.00 2.51 N ATOM 799 CA VAL A 53 19.145 15.344 -3.670 1.00 10.03 C ATOM 800 C VAL A 53 19.843 16.682 -3.453 1.00 53.11 C ATOM 801 O VAL A 53 19.773 17.575 -4.298 1.00 64.33 O ATOM 802 CB VAL A 53 19.985 14.490 -4.638 1.00 2.21 C ATOM 803 CG1 VAL A 53 21.331 14.148 -4.018 1.00 22.14 C ATOM 804 CG2 VAL A 53 19.231 13.227 -5.026 1.00 11.43 C ATOM 0 H VAL A 53 17.712 15.552 -5.186 1.00 2.51 H new ATOM 0 HA VAL A 53 19.061 14.823 -2.716 1.00 10.03 H new ATOM 0 HB VAL A 53 20.166 15.070 -5.543 1.00 2.21 H new ATOM 0 HG11 VAL A 53 21.910 13.544 -4.716 1.00 22.14 H new ATOM 0 HG12 VAL A 53 21.873 15.067 -3.796 1.00 22.14 H new ATOM 0 HG13 VAL A 53 21.175 13.587 -3.096 1.00 22.14 H new ATOM 0 HG21 VAL A 53 19.839 12.636 -5.710 1.00 11.43 H new ATOM 0 HG22 VAL A 53 19.018 12.641 -4.132 1.00 11.43 H new ATOM 0 HG23 VAL A 53 18.295 13.498 -5.514 1.00 11.43 H new ATOM 814 N PHE A 54 20.516 16.815 -2.315 1.00 34.21 N ATOM 815 CA PHE A 54 21.227 18.045 -1.986 1.00 74.21 C ATOM 816 C PHE A 54 22.679 17.752 -1.621 1.00 11.55 C ATOM 817 O PHE A 54 22.965 17.230 -0.544 1.00 31.32 O ATOM 818 CB PHE A 54 20.533 18.766 -0.829 1.00 12.14 C ATOM 819 CG PHE A 54 19.038 18.820 -0.965 1.00 61.45 C ATOM 820 CD1 PHE A 54 18.447 19.577 -1.964 1.00 62.20 C ATOM 821 CD2 PHE A 54 18.224 18.113 -0.095 1.00 52.10 C ATOM 822 CE1 PHE A 54 17.072 19.628 -2.093 1.00 70.00 C ATOM 823 CE2 PHE A 54 16.848 18.160 -0.219 1.00 41.14 C ATOM 824 CZ PHE A 54 16.271 18.919 -1.219 1.00 4.42 C ATOM 0 H PHE A 54 20.584 16.086 -1.605 1.00 34.21 H new ATOM 0 HA PHE A 54 21.215 18.689 -2.865 1.00 74.21 H new ATOM 0 HB2 PHE A 54 20.787 18.265 0.105 1.00 12.14 H new ATOM 0 HB3 PHE A 54 20.920 19.783 -0.761 1.00 12.14 H new ATOM 0 HD1 PHE A 54 19.068 20.134 -2.650 1.00 62.20 H new ATOM 0 HD2 PHE A 54 18.669 17.518 0.689 1.00 52.10 H new ATOM 0 HE1 PHE A 54 16.624 20.222 -2.876 1.00 70.00 H new ATOM 0 HE2 PHE A 54 16.224 17.604 0.465 1.00 41.14 H new ATOM 0 HZ PHE A 54 15.196 18.958 -1.317 1.00 4.42 H new ATOM 834 N GLN A 55 23.591 18.093 -2.525 1.00 53.45 N ATOM 835 CA GLN A 55 25.013 17.866 -2.299 1.00 41.40 C ATOM 836 C GLN A 55 25.448 18.436 -0.953 1.00 13.03 C ATOM 837 O GLN A 55 26.229 17.818 -0.229 1.00 1.34 O ATOM 838 CB GLN A 55 25.837 18.497 -3.423 1.00 1.10 C ATOM 839 CG GLN A 55 27.335 18.470 -3.168 1.00 24.31 C ATOM 840 CD GLN A 55 28.146 18.499 -4.449 1.00 1.34 C ATOM 841 OE1 GLN A 55 27.649 18.151 -5.520 1.00 12.11 O ATOM 842 NE2 GLN A 55 29.402 18.917 -4.345 1.00 24.32 N ATOM 0 H GLN A 55 23.370 18.528 -3.421 1.00 53.45 H new ATOM 0 HA GLN A 55 25.186 16.790 -2.291 1.00 41.40 H new ATOM 0 HB2 GLN A 55 25.626 17.973 -4.355 1.00 1.10 H new ATOM 0 HB3 GLN A 55 25.519 19.531 -3.559 1.00 1.10 H new ATOM 0 HG2 GLN A 55 27.610 19.324 -2.549 1.00 24.31 H new ATOM 0 HG3 GLN A 55 27.587 17.573 -2.603 1.00 24.31 H new ATOM 0 HE21 GLN A 55 29.773 19.196 -3.437 1.00 24.32 H new ATOM 0 HE22 GLN A 55 29.996 18.959 -5.173 1.00 24.32 H new ATOM 851 N HIS A 56 24.937 19.618 -0.623 1.00 52.11 N ATOM 852 CA HIS A 56 25.272 20.271 0.637 1.00 3.42 C ATOM 853 C HIS A 56 24.085 20.247 1.595 1.00 72.31 C ATOM 854 O HIS A 56 22.931 20.251 1.168 1.00 21.01 O ATOM 855 CB HIS A 56 25.711 21.715 0.387 1.00 73.40 C ATOM 856 CG HIS A 56 27.159 21.847 0.030 1.00 42.30 C ATOM 857 ND1 HIS A 56 27.604 22.002 -1.266 1.00 72.11 N ATOM 858 CD2 HIS A 56 28.266 21.849 0.809 1.00 43.53 C ATOM 859 CE1 HIS A 56 28.922 22.092 -1.269 1.00 72.34 C ATOM 860 NE2 HIS A 56 29.349 22.003 -0.023 1.00 34.54 N ATOM 0 H HIS A 56 24.289 20.143 -1.211 1.00 52.11 H new ATOM 0 HA HIS A 56 26.096 19.722 1.094 1.00 3.42 H new ATOM 0 HB2 HIS A 56 25.107 22.136 -0.417 1.00 73.40 H new ATOM 0 HB3 HIS A 56 25.510 22.307 1.280 1.00 73.40 H new ATOM 0 HD2 HIS A 56 28.293 21.748 1.884 1.00 43.53 H new ATOM 0 HE1 HIS A 56 29.545 22.217 -2.143 1.00 72.34 H new ATOM 0 HE2 HIS A 56 30.324 22.042 0.274 1.00 34.54 H new ATOM 868 N ASN A 57 24.377 20.220 2.891 1.00 13.12 N ATOM 869 CA ASN A 57 23.333 20.193 3.909 1.00 12.33 C ATOM 870 C ASN A 57 22.888 21.607 4.270 1.00 41.52 C ATOM 871 O ASN A 57 22.102 21.805 5.195 1.00 31.33 O ATOM 872 CB ASN A 57 23.831 19.469 5.161 1.00 20.43 C ATOM 873 CG ASN A 57 25.201 19.949 5.601 1.00 15.11 C ATOM 874 OD1 ASN A 57 26.211 19.642 4.968 1.00 10.42 O ATOM 875 ND2 ASN A 57 25.240 20.707 6.691 1.00 33.30 N ATOM 0 H ASN A 57 25.327 20.216 3.261 1.00 13.12 H new ATOM 0 HA ASN A 57 22.477 19.654 3.501 1.00 12.33 H new ATOM 0 HB2 ASN A 57 23.119 19.620 5.972 1.00 20.43 H new ATOM 0 HB3 ASN A 57 23.870 18.397 4.966 1.00 20.43 H new ATOM 0 HD21 ASN A 57 26.133 21.060 7.035 1.00 33.30 H new ATOM 0 HD22 ASN A 57 24.377 20.936 7.184 1.00 33.30 H new ATOM 882 N ASN A 58 23.397 22.588 3.531 1.00 11.32 N ATOM 883 CA ASN A 58 23.052 23.985 3.773 1.00 62.33 C ATOM 884 C ASN A 58 22.121 24.511 2.685 1.00 41.22 C ATOM 885 O ASN A 58 21.774 25.692 2.668 1.00 15.12 O ATOM 886 CB ASN A 58 24.319 24.841 3.834 1.00 33.00 C ATOM 887 CG ASN A 58 24.144 26.070 4.705 1.00 21.13 C ATOM 888 OD1 ASN A 58 24.913 26.144 5.785 1.00 2.54 O flip ATOM 889 ND2 ASN A 58 23.327 26.942 4.410 1.00 25.41 N flip ATOM 0 H ASN A 58 24.049 22.442 2.760 1.00 11.32 H new ATOM 0 HA ASN A 58 22.534 24.046 4.730 1.00 62.33 H new ATOM 0 HB2 ASN A 58 25.142 24.240 4.220 1.00 33.00 H new ATOM 0 HB3 ASN A 58 24.595 25.150 2.826 1.00 33.00 H new ATOM 0 HD21 ASN A 58 22.757 26.843 3.570 1.00 25.41 H new ATOM 0 HD22 ASN A 58 23.220 27.763 5.005 1.00 25.41 H new ATOM 896 N PHE A 59 21.720 23.627 1.778 1.00 62.42 N ATOM 897 CA PHE A 59 20.829 24.002 0.686 1.00 65.53 C ATOM 898 C PHE A 59 21.364 25.223 -0.057 1.00 34.12 C ATOM 899 O PHE A 59 20.670 26.231 -0.198 1.00 24.32 O ATOM 900 CB PHE A 59 19.425 24.290 1.221 1.00 62.42 C ATOM 901 CG PHE A 59 18.570 23.062 1.350 1.00 15.11 C ATOM 902 CD1 PHE A 59 18.674 22.243 2.463 1.00 72.24 C ATOM 903 CD2 PHE A 59 17.661 22.727 0.359 1.00 42.12 C ATOM 904 CE1 PHE A 59 17.887 21.113 2.585 1.00 65.41 C ATOM 905 CE2 PHE A 59 16.872 21.599 0.476 1.00 61.41 C ATOM 906 CZ PHE A 59 16.986 20.790 1.590 1.00 62.44 C ATOM 0 H PHE A 59 21.998 22.646 1.777 1.00 62.42 H new ATOM 0 HA PHE A 59 20.779 23.167 -0.013 1.00 65.53 H new ATOM 0 HB2 PHE A 59 19.508 24.770 2.196 1.00 62.42 H new ATOM 0 HB3 PHE A 59 18.930 25.000 0.558 1.00 62.42 H new ATOM 0 HD1 PHE A 59 19.378 22.490 3.244 1.00 72.24 H new ATOM 0 HD2 PHE A 59 17.568 23.355 -0.515 1.00 42.12 H new ATOM 0 HE1 PHE A 59 17.977 20.483 3.458 1.00 65.41 H new ATOM 0 HE2 PHE A 59 16.167 21.350 -0.303 1.00 61.41 H new ATOM 0 HZ PHE A 59 16.372 19.907 1.682 1.00 62.44 H new ATOM 916 N LYS A 60 22.602 25.126 -0.530 1.00 35.25 N ATOM 917 CA LYS A 60 23.231 26.221 -1.258 1.00 72.44 C ATOM 918 C LYS A 60 23.549 25.808 -2.692 1.00 23.11 C ATOM 919 O LYS A 60 23.155 26.480 -3.644 1.00 1.12 O ATOM 920 CB LYS A 60 24.511 26.664 -0.548 1.00 5.23 C ATOM 921 CG LYS A 60 25.355 27.631 -1.361 1.00 15.33 C ATOM 922 CD LYS A 60 26.404 26.902 -2.182 1.00 60.42 C ATOM 923 CE LYS A 60 27.800 27.439 -1.907 1.00 40.44 C ATOM 924 NZ LYS A 60 28.641 27.452 -3.136 1.00 64.21 N ATOM 0 H LYS A 60 23.190 24.299 -0.422 1.00 35.25 H new ATOM 0 HA LYS A 60 22.531 27.056 -1.285 1.00 72.44 H new ATOM 0 HB2 LYS A 60 24.247 27.134 0.399 1.00 5.23 H new ATOM 0 HB3 LYS A 60 25.109 25.784 -0.312 1.00 5.23 H new ATOM 0 HG2 LYS A 60 24.711 28.209 -2.023 1.00 15.33 H new ATOM 0 HG3 LYS A 60 25.843 28.340 -0.692 1.00 15.33 H new ATOM 0 HD2 LYS A 60 26.371 25.837 -1.953 1.00 60.42 H new ATOM 0 HD3 LYS A 60 26.175 27.007 -3.242 1.00 60.42 H new ATOM 0 HE2 LYS A 60 27.728 28.450 -1.506 1.00 40.44 H new ATOM 0 HE3 LYS A 60 28.281 26.827 -1.144 1.00 40.44 H new ATOM 0 HZ1 LYS A 60 29.585 27.825 -2.907 1.00 64.21 H new ATOM 0 HZ2 LYS A 60 28.731 26.484 -3.505 1.00 64.21 H new ATOM 0 HZ3 LYS A 60 28.195 28.057 -3.855 1.00 64.21 H new ATOM 938 N GLY A 61 24.264 24.696 -2.838 1.00 45.41 N ATOM 939 CA GLY A 61 24.622 24.213 -4.159 1.00 21.12 C ATOM 940 C GLY A 61 23.410 23.824 -4.982 1.00 0.02 C ATOM 941 O GLY A 61 22.296 24.271 -4.709 1.00 32.32 O ATOM 0 H GLY A 61 24.601 24.122 -2.066 1.00 45.41 H new ATOM 0 HA2 GLY A 61 25.182 24.986 -4.686 1.00 21.12 H new ATOM 0 HA3 GLY A 61 25.282 23.351 -4.061 1.00 21.12 H new ATOM 945 N VAL A 62 23.627 22.990 -5.994 1.00 54.00 N ATOM 946 CA VAL A 62 22.543 22.541 -6.860 1.00 41.42 C ATOM 947 C VAL A 62 21.839 21.323 -6.274 1.00 22.13 C ATOM 948 O VAL A 62 22.455 20.510 -5.584 1.00 31.01 O ATOM 949 CB VAL A 62 23.058 22.194 -8.270 1.00 3.04 C ATOM 950 CG1 VAL A 62 23.755 23.393 -8.894 1.00 42.21 C ATOM 951 CG2 VAL A 62 23.991 20.994 -8.214 1.00 64.24 C ATOM 0 H VAL A 62 24.543 22.612 -6.234 1.00 54.00 H new ATOM 0 HA VAL A 62 21.834 23.366 -6.933 1.00 41.42 H new ATOM 0 HB VAL A 62 22.205 21.934 -8.897 1.00 3.04 H new ATOM 0 HG11 VAL A 62 24.112 23.129 -9.889 1.00 42.21 H new ATOM 0 HG12 VAL A 62 23.053 24.224 -8.969 1.00 42.21 H new ATOM 0 HG13 VAL A 62 24.600 23.687 -8.272 1.00 42.21 H new ATOM 0 HG21 VAL A 62 24.346 20.762 -9.218 1.00 64.24 H new ATOM 0 HG22 VAL A 62 24.842 21.224 -7.573 1.00 64.24 H new ATOM 0 HG23 VAL A 62 23.455 20.135 -7.811 1.00 64.24 H new ATOM 961 N ARG A 63 20.546 21.202 -6.553 1.00 15.30 N ATOM 962 CA ARG A 63 19.757 20.083 -6.052 1.00 70.24 C ATOM 963 C ARG A 63 19.254 19.215 -7.202 1.00 61.13 C ATOM 964 O ARG A 63 18.981 19.712 -8.295 1.00 32.11 O ATOM 965 CB ARG A 63 18.573 20.593 -5.229 1.00 0.20 C ATOM 966 CG ARG A 63 17.465 21.206 -6.070 1.00 43.20 C ATOM 967 CD ARG A 63 16.948 22.497 -5.454 1.00 74.33 C ATOM 968 NE ARG A 63 17.905 23.591 -5.592 1.00 13.21 N ATOM 969 CZ ARG A 63 17.595 24.868 -5.393 1.00 71.42 C ATOM 970 NH1 ARG A 63 16.360 25.208 -5.050 1.00 24.13 N ATOM 971 NH2 ARG A 63 18.521 25.807 -5.538 1.00 23.44 N ATOM 0 H ARG A 63 20.022 21.865 -7.124 1.00 15.30 H new ATOM 0 HA ARG A 63 20.399 19.476 -5.414 1.00 70.24 H new ATOM 0 HB2 ARG A 63 18.162 19.767 -4.649 1.00 0.20 H new ATOM 0 HB3 ARG A 63 18.930 21.336 -4.516 1.00 0.20 H new ATOM 0 HG2 ARG A 63 17.837 21.405 -7.075 1.00 43.20 H new ATOM 0 HG3 ARG A 63 16.645 20.494 -6.168 1.00 43.20 H new ATOM 0 HD2 ARG A 63 16.008 22.775 -5.931 1.00 74.33 H new ATOM 0 HD3 ARG A 63 16.733 22.334 -4.398 1.00 74.33 H new ATOM 0 HE ARG A 63 18.864 23.363 -5.855 1.00 13.21 H new ATOM 0 HH11 ARG A 63 15.645 24.489 -4.938 1.00 24.13 H new ATOM 0 HH12 ARG A 63 16.125 26.189 -4.898 1.00 24.13 H new ATOM 0 HH21 ARG A 63 19.472 25.549 -5.802 1.00 23.44 H new ATOM 0 HH22 ARG A 63 18.282 26.787 -5.385 1.00 23.44 H new ATOM 985 N ASP A 64 19.135 17.916 -6.948 1.00 41.41 N ATOM 986 CA ASP A 64 18.665 16.979 -7.961 1.00 72.04 C ATOM 987 C ASP A 64 17.227 16.553 -7.682 1.00 21.44 C ATOM 988 O ASP A 64 16.627 16.969 -6.691 1.00 14.22 O ATOM 989 CB ASP A 64 19.574 15.750 -8.011 1.00 31.00 C ATOM 990 CG ASP A 64 19.796 15.251 -9.425 1.00 45.22 C ATOM 991 OD1 ASP A 64 18.947 14.483 -9.925 1.00 1.45 O ATOM 992 OD2 ASP A 64 20.819 15.629 -10.033 1.00 45.31 O ATOM 0 H ASP A 64 19.358 17.488 -6.049 1.00 41.41 H new ATOM 0 HA ASP A 64 18.695 17.482 -8.927 1.00 72.04 H new ATOM 0 HB2 ASP A 64 20.536 15.995 -7.560 1.00 31.00 H new ATOM 0 HB3 ASP A 64 19.135 14.952 -7.412 1.00 31.00 H new ATOM 997 N PHE A 65 16.680 15.720 -8.562 1.00 1.54 N ATOM 998 CA PHE A 65 15.312 15.239 -8.411 1.00 11.14 C ATOM 999 C PHE A 65 15.159 13.840 -9.000 1.00 25.10 C ATOM 1000 O PHE A 65 15.537 13.592 -10.145 1.00 41.44 O ATOM 1001 CB PHE A 65 14.333 16.200 -9.089 1.00 20.13 C ATOM 1002 CG PHE A 65 14.694 16.518 -10.511 1.00 41.34 C ATOM 1003 CD1 PHE A 65 15.587 17.538 -10.802 1.00 73.50 C ATOM 1004 CD2 PHE A 65 14.142 15.798 -11.558 1.00 54.12 C ATOM 1005 CE1 PHE A 65 15.920 17.833 -12.110 1.00 70.03 C ATOM 1006 CE2 PHE A 65 14.471 16.089 -12.869 1.00 24.24 C ATOM 1007 CZ PHE A 65 15.363 17.107 -13.145 1.00 33.02 C ATOM 0 H PHE A 65 17.163 15.364 -9.387 1.00 1.54 H new ATOM 0 HA PHE A 65 15.086 15.192 -7.346 1.00 11.14 H new ATOM 0 HB2 PHE A 65 13.334 15.765 -9.065 1.00 20.13 H new ATOM 0 HB3 PHE A 65 14.291 17.127 -8.517 1.00 20.13 H new ATOM 0 HD1 PHE A 65 16.027 18.108 -9.997 1.00 73.50 H new ATOM 0 HD2 PHE A 65 13.446 14.999 -11.348 1.00 54.12 H new ATOM 0 HE1 PHE A 65 16.616 18.631 -12.323 1.00 70.03 H new ATOM 0 HE2 PHE A 65 14.031 15.521 -13.676 1.00 24.24 H new ATOM 0 HZ PHE A 65 15.624 17.335 -14.168 1.00 33.02 H new ATOM 1017 N TYR A 66 14.604 12.929 -8.209 1.00 23.22 N ATOM 1018 CA TYR A 66 14.404 11.553 -8.650 1.00 2.51 C ATOM 1019 C TYR A 66 12.979 11.091 -8.363 1.00 52.20 C ATOM 1020 O TYR A 66 12.334 11.569 -7.429 1.00 30.53 O ATOM 1021 CB TYR A 66 15.403 10.624 -7.958 1.00 73.44 C ATOM 1022 CG TYR A 66 16.591 10.262 -8.821 1.00 12.12 C ATOM 1023 CD1 TYR A 66 16.415 9.729 -10.092 1.00 5.22 C ATOM 1024 CD2 TYR A 66 17.889 10.455 -8.365 1.00 22.54 C ATOM 1025 CE1 TYR A 66 17.498 9.397 -10.883 1.00 23.24 C ATOM 1026 CE2 TYR A 66 18.978 10.126 -9.149 1.00 50.41 C ATOM 1027 CZ TYR A 66 18.777 9.597 -10.407 1.00 44.40 C ATOM 1028 OH TYR A 66 19.859 9.269 -11.192 1.00 74.03 O ATOM 0 H TYR A 66 14.284 13.118 -7.259 1.00 23.22 H new ATOM 0 HA TYR A 66 14.569 11.515 -9.727 1.00 2.51 H new ATOM 0 HB2 TYR A 66 15.760 11.102 -7.046 1.00 73.44 H new ATOM 0 HB3 TYR A 66 14.890 9.710 -7.659 1.00 73.44 H new ATOM 0 HD1 TYR A 66 15.415 9.572 -10.468 1.00 5.22 H new ATOM 0 HD2 TYR A 66 18.050 10.869 -7.381 1.00 22.54 H new ATOM 0 HE1 TYR A 66 17.344 8.983 -11.869 1.00 23.24 H new ATOM 0 HE2 TYR A 66 19.981 10.282 -8.779 1.00 50.41 H new ATOM 0 HH TYR A 66 20.687 9.473 -10.709 1.00 74.03 H new ATOM 1038 N THR A 67 12.492 10.157 -9.174 1.00 61.01 N ATOM 1039 CA THR A 67 11.144 9.629 -9.010 1.00 14.14 C ATOM 1040 C THR A 67 11.041 8.206 -9.547 1.00 10.15 C ATOM 1041 O THR A 67 9.951 7.727 -9.857 1.00 35.21 O ATOM 1042 CB THR A 67 10.104 10.512 -9.725 1.00 74.10 C ATOM 1043 OG1 THR A 67 10.440 11.894 -9.562 1.00 55.33 O ATOM 1044 CG2 THR A 67 8.708 10.256 -9.177 1.00 31.01 C ATOM 0 H THR A 67 13.012 9.751 -9.952 1.00 61.01 H new ATOM 0 HA THR A 67 10.934 9.626 -7.940 1.00 14.14 H new ATOM 0 HB THR A 67 10.113 10.259 -10.785 1.00 74.10 H new ATOM 0 HG1 THR A 67 9.775 12.449 -10.021 1.00 55.33 H new ATOM 0 HG21 THR A 67 7.991 10.891 -9.697 1.00 31.01 H new ATOM 0 HG22 THR A 67 8.444 9.210 -9.329 1.00 31.01 H new ATOM 0 HG23 THR A 67 8.688 10.484 -8.111 1.00 31.01 H new ATOM 1052 N SER A 68 12.183 7.535 -9.653 1.00 23.20 N ATOM 1053 CA SER A 68 12.222 6.167 -10.156 1.00 32.44 C ATOM 1054 C SER A 68 13.417 5.411 -9.583 1.00 62.02 C ATOM 1055 O SER A 68 14.360 6.015 -9.072 1.00 24.11 O ATOM 1056 CB SER A 68 12.287 6.164 -11.684 1.00 71.12 C ATOM 1057 OG SER A 68 13.267 5.253 -12.151 1.00 50.33 O ATOM 0 H SER A 68 13.094 7.916 -9.397 1.00 23.20 H new ATOM 0 HA SER A 68 11.309 5.663 -9.838 1.00 32.44 H new ATOM 0 HB2 SER A 68 11.313 5.895 -12.092 1.00 71.12 H new ATOM 0 HB3 SER A 68 12.518 7.167 -12.043 1.00 71.12 H new ATOM 0 HG SER A 68 13.288 5.269 -13.131 1.00 50.33 H new ATOM 1063 N ASP A 69 13.370 4.086 -9.673 1.00 11.50 N ATOM 1064 CA ASP A 69 14.449 3.247 -9.165 1.00 74.44 C ATOM 1065 C ASP A 69 15.806 3.764 -9.633 1.00 34.34 C ATOM 1066 O ASP A 69 16.181 3.592 -10.792 1.00 75.00 O ATOM 1067 CB ASP A 69 14.255 1.800 -9.622 1.00 63.22 C ATOM 1068 CG ASP A 69 13.857 1.702 -11.082 1.00 24.22 C ATOM 1069 OD1 ASP A 69 14.762 1.627 -11.940 1.00 72.10 O ATOM 1070 OD2 ASP A 69 12.642 1.699 -11.366 1.00 15.11 O ATOM 0 H ASP A 69 12.597 3.570 -10.093 1.00 11.50 H new ATOM 0 HA ASP A 69 14.423 3.283 -8.076 1.00 74.44 H new ATOM 0 HB2 ASP A 69 15.179 1.245 -9.462 1.00 63.22 H new ATOM 0 HB3 ASP A 69 13.489 1.327 -9.007 1.00 63.22 H new ATOM 1075 N ALA A 70 16.537 4.398 -8.722 1.00 52.32 N ATOM 1076 CA ALA A 70 17.852 4.940 -9.041 1.00 22.53 C ATOM 1077 C ALA A 70 18.959 3.995 -8.586 1.00 64.42 C ATOM 1078 O ALA A 70 19.086 3.697 -7.399 1.00 13.02 O ATOM 1079 CB ALA A 70 18.028 6.309 -8.401 1.00 65.30 C ATOM 0 H ALA A 70 16.241 4.549 -7.758 1.00 52.32 H new ATOM 0 HA ALA A 70 17.922 5.046 -10.124 1.00 22.53 H new ATOM 0 HB1 ALA A 70 19.014 6.702 -8.648 1.00 65.30 H new ATOM 0 HB2 ALA A 70 17.263 6.988 -8.777 1.00 65.30 H new ATOM 0 HB3 ALA A 70 17.933 6.220 -7.319 1.00 65.30 H new ATOM 1085 N ALA A 71 19.759 3.526 -9.539 1.00 33.43 N ATOM 1086 CA ALA A 71 20.856 2.615 -9.236 1.00 0.35 C ATOM 1087 C ALA A 71 22.167 3.375 -9.060 1.00 72.35 C ATOM 1088 O ALA A 71 23.121 2.858 -8.480 1.00 73.20 O ATOM 1089 CB ALA A 71 20.992 1.569 -10.332 1.00 2.21 C ATOM 0 H ALA A 71 19.668 3.762 -10.527 1.00 33.43 H new ATOM 0 HA ALA A 71 20.629 2.112 -8.296 1.00 0.35 H new ATOM 0 HB1 ALA A 71 21.815 0.896 -10.092 1.00 2.21 H new ATOM 0 HB2 ALA A 71 20.066 0.998 -10.407 1.00 2.21 H new ATOM 0 HB3 ALA A 71 21.192 2.062 -11.283 1.00 2.21 H new ATOM 1095 N GLU A 72 22.206 4.603 -9.567 1.00 11.20 N ATOM 1096 CA GLU A 72 23.401 5.432 -9.467 1.00 44.11 C ATOM 1097 C GLU A 72 23.103 6.729 -8.720 1.00 43.13 C ATOM 1098 O GLU A 72 22.144 7.434 -9.036 1.00 11.22 O ATOM 1099 CB GLU A 72 23.948 5.747 -10.861 1.00 3.51 C ATOM 1100 CG GLU A 72 25.464 5.685 -10.949 1.00 31.43 C ATOM 1101 CD GLU A 72 26.093 7.047 -11.166 1.00 53.11 C ATOM 1102 OE1 GLU A 72 26.228 7.459 -12.337 1.00 71.21 O ATOM 1103 OE2 GLU A 72 26.449 7.702 -10.164 1.00 65.21 O ATOM 0 H GLU A 72 21.425 5.045 -10.051 1.00 11.20 H new ATOM 0 HA GLU A 72 24.152 4.875 -8.907 1.00 44.11 H new ATOM 0 HB2 GLU A 72 23.522 5.044 -11.577 1.00 3.51 H new ATOM 0 HB3 GLU A 72 23.616 6.742 -11.156 1.00 3.51 H new ATOM 0 HG2 GLU A 72 25.860 5.248 -10.032 1.00 31.43 H new ATOM 0 HG3 GLU A 72 25.750 5.023 -11.766 1.00 31.43 H new ATOM 1110 N LEU A 73 23.931 7.037 -7.728 1.00 45.24 N ATOM 1111 CA LEU A 73 23.758 8.249 -6.935 1.00 14.10 C ATOM 1112 C LEU A 73 23.765 9.488 -7.825 1.00 1.14 C ATOM 1113 O LEU A 73 24.504 9.555 -8.806 1.00 45.14 O ATOM 1114 CB LEU A 73 24.863 8.356 -5.883 1.00 15.14 C ATOM 1115 CG LEU A 73 24.430 8.855 -4.504 1.00 12.44 C ATOM 1116 CD1 LEU A 73 23.977 10.305 -4.579 1.00 2.34 C ATOM 1117 CD2 LEU A 73 23.321 7.977 -3.942 1.00 43.10 C ATOM 0 H LEU A 73 24.729 6.464 -7.454 1.00 45.24 H new ATOM 0 HA LEU A 73 22.792 8.190 -6.433 1.00 14.10 H new ATOM 0 HB2 LEU A 73 25.321 7.374 -5.765 1.00 15.14 H new ATOM 0 HB3 LEU A 73 25.636 9.024 -6.263 1.00 15.14 H new ATOM 0 HG LEU A 73 25.287 8.797 -3.833 1.00 12.44 H new ATOM 0 HD11 LEU A 73 23.673 10.643 -3.588 1.00 2.34 H new ATOM 0 HD12 LEU A 73 24.799 10.925 -4.937 1.00 2.34 H new ATOM 0 HD13 LEU A 73 23.134 10.388 -5.265 1.00 2.34 H new ATOM 0 HD21 LEU A 73 23.026 8.347 -2.960 1.00 43.10 H new ATOM 0 HD22 LEU A 73 22.462 8.002 -4.613 1.00 43.10 H new ATOM 0 HD23 LEU A 73 23.680 6.952 -3.850 1.00 43.10 H new ATOM 1129 N SER A 74 22.939 10.468 -7.473 1.00 32.13 N ATOM 1130 CA SER A 74 22.849 11.705 -8.240 1.00 71.31 C ATOM 1131 C SER A 74 24.234 12.298 -8.478 1.00 42.02 C ATOM 1132 O SER A 74 24.686 12.411 -9.618 1.00 35.00 O ATOM 1133 CB SER A 74 21.966 12.719 -7.511 1.00 74.01 C ATOM 1134 OG SER A 74 20.595 12.377 -7.625 1.00 62.31 O ATOM 0 H SER A 74 22.322 10.429 -6.661 1.00 32.13 H new ATOM 0 HA SER A 74 22.401 11.473 -9.206 1.00 71.31 H new ATOM 0 HB2 SER A 74 22.247 12.761 -6.459 1.00 74.01 H new ATOM 0 HB3 SER A 74 22.131 13.714 -7.925 1.00 74.01 H new ATOM 0 HG SER A 74 20.257 12.665 -8.499 1.00 62.31 H new ATOM 1140 N ARG A 75 24.904 12.676 -7.394 1.00 35.31 N ATOM 1141 CA ARG A 75 26.237 13.259 -7.484 1.00 32.24 C ATOM 1142 C ARG A 75 27.277 12.338 -6.852 1.00 35.21 C ATOM 1143 O ARG A 75 27.065 11.800 -5.765 1.00 3.13 O ATOM 1144 CB ARG A 75 26.266 14.626 -6.797 1.00 61.50 C ATOM 1145 CG ARG A 75 25.751 15.757 -7.671 1.00 42.41 C ATOM 1146 CD ARG A 75 24.287 16.057 -7.389 1.00 43.32 C ATOM 1147 NE ARG A 75 23.789 17.164 -8.202 1.00 30.22 N ATOM 1148 CZ ARG A 75 23.535 17.065 -9.502 1.00 24.21 C ATOM 1149 NH1 ARG A 75 23.732 15.916 -10.133 1.00 60.35 N ATOM 1150 NH2 ARG A 75 23.084 18.117 -10.173 1.00 34.40 N ATOM 0 H ARG A 75 24.545 12.589 -6.443 1.00 35.31 H new ATOM 0 HA ARG A 75 26.481 13.385 -8.539 1.00 32.24 H new ATOM 0 HB2 ARG A 75 25.667 14.579 -5.888 1.00 61.50 H new ATOM 0 HB3 ARG A 75 27.289 14.849 -6.494 1.00 61.50 H new ATOM 0 HG2 ARG A 75 26.347 16.653 -7.497 1.00 42.41 H new ATOM 0 HG3 ARG A 75 25.873 15.491 -8.721 1.00 42.41 H new ATOM 0 HD2 ARG A 75 23.690 15.166 -7.585 1.00 43.32 H new ATOM 0 HD3 ARG A 75 24.163 16.298 -6.333 1.00 43.32 H new ATOM 0 HE ARG A 75 23.628 18.062 -7.746 1.00 30.22 H new ATOM 0 HH11 ARG A 75 24.079 15.106 -9.620 1.00 60.35 H new ATOM 0 HH12 ARG A 75 23.536 15.842 -11.131 1.00 60.35 H new ATOM 0 HH21 ARG A 75 22.932 19.003 -9.691 1.00 34.40 H new ATOM 0 HH22 ARG A 75 22.889 18.040 -11.171 1.00 34.40 H new ATOM 1164 N ASP A 76 28.399 12.161 -7.541 1.00 35.33 N ATOM 1165 CA ASP A 76 29.472 11.305 -7.047 1.00 53.42 C ATOM 1166 C ASP A 76 29.878 11.705 -5.632 1.00 74.30 C ATOM 1167 O ASP A 76 30.411 12.791 -5.412 1.00 52.31 O ATOM 1168 CB ASP A 76 30.682 11.381 -7.979 1.00 3.01 C ATOM 1169 CG ASP A 76 31.046 10.032 -8.566 1.00 60.52 C ATOM 1170 OD1 ASP A 76 31.800 9.283 -7.910 1.00 12.10 O ATOM 1171 OD2 ASP A 76 30.578 9.724 -9.683 1.00 14.14 O ATOM 0 H ASP A 76 28.589 12.598 -8.443 1.00 35.33 H new ATOM 0 HA ASP A 76 29.105 10.279 -7.024 1.00 53.42 H new ATOM 0 HB2 ASP A 76 30.471 12.081 -8.788 1.00 3.01 H new ATOM 0 HB3 ASP A 76 31.536 11.777 -7.429 1.00 3.01 H new ATOM 1176 N ASN A 77 29.620 10.818 -4.676 1.00 2.33 N ATOM 1177 CA ASN A 77 29.957 11.079 -3.281 1.00 4.11 C ATOM 1178 C ASN A 77 29.665 12.531 -2.913 1.00 31.51 C ATOM 1179 O ASN A 77 30.555 13.264 -2.482 1.00 70.11 O ATOM 1180 CB ASN A 77 31.432 10.763 -3.023 1.00 41.24 C ATOM 1181 CG ASN A 77 32.351 11.438 -4.023 1.00 2.51 C ATOM 1182 OD1 ASN A 77 32.524 10.961 -5.145 1.00 5.45 O ATOM 1183 ND2 ASN A 77 32.946 12.555 -3.619 1.00 53.22 N ATOM 0 H ASN A 77 29.179 9.913 -4.842 1.00 2.33 H new ATOM 0 HA ASN A 77 29.339 10.433 -2.657 1.00 4.11 H new ATOM 0 HB2 ASN A 77 31.698 11.082 -2.015 1.00 41.24 H new ATOM 0 HB3 ASN A 77 31.583 9.684 -3.066 1.00 41.24 H new ATOM 0 HD21 ASN A 77 33.576 13.054 -4.248 1.00 53.22 H new ATOM 0 HD22 ASN A 77 32.773 12.914 -2.680 1.00 53.22 H new ATOM 1190 N ASP A 78 28.412 12.938 -3.085 1.00 62.31 N ATOM 1191 CA ASP A 78 28.001 14.301 -2.770 1.00 21.24 C ATOM 1192 C ASP A 78 26.503 14.365 -2.487 1.00 43.13 C ATOM 1193 O ASP A 78 25.723 14.822 -3.322 1.00 44.04 O ATOM 1194 CB ASP A 78 28.357 15.243 -3.921 1.00 34.11 C ATOM 1195 CG ASP A 78 29.702 15.913 -3.726 1.00 44.01 C ATOM 1196 OD1 ASP A 78 29.984 16.359 -2.594 1.00 43.25 O ATOM 1197 OD2 ASP A 78 30.474 15.992 -4.705 1.00 54.15 O ATOM 0 H ASP A 78 27.664 12.343 -3.441 1.00 62.31 H new ATOM 0 HA ASP A 78 28.535 14.618 -1.874 1.00 21.24 H new ATOM 0 HB2 ASP A 78 28.366 14.682 -4.856 1.00 34.11 H new ATOM 0 HB3 ASP A 78 27.584 16.006 -4.014 1.00 34.11 H new ATOM 1202 N ALA A 79 26.109 13.903 -1.305 1.00 53.23 N ATOM 1203 CA ALA A 79 24.705 13.909 -0.913 1.00 0.14 C ATOM 1204 C ALA A 79 24.551 14.240 0.568 1.00 35.30 C ATOM 1205 O ALA A 79 24.046 13.429 1.345 1.00 11.53 O ATOM 1206 CB ALA A 79 24.064 12.565 -1.225 1.00 51.10 C ATOM 0 H ALA A 79 26.742 13.520 -0.603 1.00 53.23 H new ATOM 0 HA ALA A 79 24.196 14.683 -1.487 1.00 0.14 H new ATOM 0 HB1 ALA A 79 23.016 12.584 -0.927 1.00 51.10 H new ATOM 0 HB2 ALA A 79 24.134 12.368 -2.295 1.00 51.10 H new ATOM 0 HB3 ALA A 79 24.583 11.778 -0.677 1.00 51.10 H new ATOM 1212 N SER A 80 24.989 15.434 0.952 1.00 52.42 N ATOM 1213 CA SER A 80 24.903 15.870 2.341 1.00 41.13 C ATOM 1214 C SER A 80 23.491 15.676 2.885 1.00 40.01 C ATOM 1215 O SER A 80 23.287 14.978 3.878 1.00 1.01 O ATOM 1216 CB SER A 80 25.311 17.340 2.463 1.00 63.55 C ATOM 1217 OG SER A 80 26.721 17.480 2.444 1.00 2.41 O ATOM 0 H SER A 80 25.407 16.117 0.321 1.00 52.42 H new ATOM 0 HA SER A 80 25.588 15.260 2.930 1.00 41.13 H new ATOM 0 HB2 SER A 80 24.874 17.911 1.644 1.00 63.55 H new ATOM 0 HB3 SER A 80 24.913 17.756 3.389 1.00 63.55 H new ATOM 0 HG SER A 80 27.021 17.640 1.525 1.00 2.41 H new ATOM 1223 N SER A 81 22.519 16.299 2.226 1.00 0.24 N ATOM 1224 CA SER A 81 21.126 16.199 2.645 1.00 12.11 C ATOM 1225 C SER A 81 20.241 15.748 1.487 1.00 65.23 C ATOM 1226 O SER A 81 20.562 15.976 0.320 1.00 22.32 O ATOM 1227 CB SER A 81 20.635 17.545 3.182 1.00 32.23 C ATOM 1228 OG SER A 81 19.227 17.658 3.065 1.00 20.43 O ATOM 0 H SER A 81 22.671 16.878 1.400 1.00 0.24 H new ATOM 0 HA SER A 81 21.064 15.454 3.439 1.00 12.11 H new ATOM 0 HB2 SER A 81 20.926 17.651 4.227 1.00 32.23 H new ATOM 0 HB3 SER A 81 21.115 18.356 2.634 1.00 32.23 H new ATOM 0 HG SER A 81 18.938 18.526 3.416 1.00 20.43 H new ATOM 1234 N VAL A 82 19.126 15.106 1.818 1.00 74.43 N ATOM 1235 CA VAL A 82 18.193 14.622 0.806 1.00 1.34 C ATOM 1236 C VAL A 82 16.749 14.792 1.265 1.00 40.24 C ATOM 1237 O VAL A 82 16.468 14.836 2.462 1.00 22.34 O ATOM 1238 CB VAL A 82 18.444 13.139 0.475 1.00 52.23 C ATOM 1239 CG1 VAL A 82 17.932 12.810 -0.919 1.00 63.24 C ATOM 1240 CG2 VAL A 82 19.923 12.808 0.601 1.00 42.22 C ATOM 0 H VAL A 82 18.846 14.909 2.779 1.00 74.43 H new ATOM 0 HA VAL A 82 18.359 15.219 -0.090 1.00 1.34 H new ATOM 0 HB VAL A 82 17.896 12.527 1.191 1.00 52.23 H new ATOM 0 HG11 VAL A 82 18.118 11.758 -1.136 1.00 63.24 H new ATOM 0 HG12 VAL A 82 16.861 13.007 -0.969 1.00 63.24 H new ATOM 0 HG13 VAL A 82 18.450 13.429 -1.652 1.00 63.24 H new ATOM 0 HG21 VAL A 82 20.082 11.756 0.364 1.00 42.22 H new ATOM 0 HG22 VAL A 82 20.495 13.427 -0.091 1.00 42.22 H new ATOM 0 HG23 VAL A 82 20.254 13.004 1.621 1.00 42.22 H new ATOM 1250 N ARG A 83 15.836 14.887 0.303 1.00 3.42 N ATOM 1251 CA ARG A 83 14.420 15.053 0.608 1.00 43.32 C ATOM 1252 C ARG A 83 13.590 13.956 -0.051 1.00 61.34 C ATOM 1253 O ARG A 83 13.882 13.528 -1.169 1.00 13.44 O ATOM 1254 CB ARG A 83 13.934 16.426 0.140 1.00 14.11 C ATOM 1255 CG ARG A 83 13.762 17.429 1.270 1.00 60.34 C ATOM 1256 CD ARG A 83 13.570 18.840 0.737 1.00 11.12 C ATOM 1257 NE ARG A 83 12.666 19.623 1.576 1.00 44.22 N ATOM 1258 CZ ARG A 83 12.986 20.066 2.787 1.00 43.13 C ATOM 1259 NH1 ARG A 83 14.182 19.805 3.297 1.00 35.55 N ATOM 1260 NH2 ARG A 83 12.110 20.773 3.489 1.00 72.30 N ATOM 0 H ARG A 83 16.052 14.852 -0.693 1.00 3.42 H new ATOM 0 HA ARG A 83 14.295 14.980 1.688 1.00 43.32 H new ATOM 0 HB2 ARG A 83 14.644 16.826 -0.584 1.00 14.11 H new ATOM 0 HB3 ARG A 83 12.982 16.308 -0.378 1.00 14.11 H new ATOM 0 HG2 ARG A 83 12.903 17.149 1.879 1.00 60.34 H new ATOM 0 HG3 ARG A 83 14.636 17.400 1.920 1.00 60.34 H new ATOM 0 HD2 ARG A 83 14.537 19.341 0.680 1.00 11.12 H new ATOM 0 HD3 ARG A 83 13.174 18.794 -0.278 1.00 11.12 H new ATOM 0 HE ARG A 83 11.738 19.842 1.212 1.00 44.22 H new ATOM 0 HH11 ARG A 83 14.859 19.263 2.759 1.00 35.55 H new ATOM 0 HH12 ARG A 83 14.425 20.146 4.227 1.00 35.55 H new ATOM 0 HH21 ARG A 83 11.190 20.977 3.099 1.00 72.30 H new ATOM 0 HH22 ARG A 83 12.357 21.113 4.419 1.00 72.30 H new ATOM 1274 N VAL A 84 12.555 13.503 0.648 1.00 15.03 N ATOM 1275 CA VAL A 84 11.682 12.456 0.131 1.00 34.13 C ATOM 1276 C VAL A 84 10.215 12.791 0.378 1.00 41.41 C ATOM 1277 O VAL A 84 9.849 13.271 1.451 1.00 23.31 O ATOM 1278 CB VAL A 84 12.000 11.092 0.773 1.00 51.30 C ATOM 1279 CG1 VAL A 84 13.437 10.687 0.481 1.00 74.20 C ATOM 1280 CG2 VAL A 84 11.744 11.137 2.272 1.00 71.42 C ATOM 0 H VAL A 84 12.300 13.845 1.575 1.00 15.03 H new ATOM 0 HA VAL A 84 11.862 12.396 -0.942 1.00 34.13 H new ATOM 0 HB VAL A 84 11.341 10.341 0.337 1.00 51.30 H new ATOM 0 HG11 VAL A 84 13.644 9.721 0.942 1.00 74.20 H new ATOM 0 HG12 VAL A 84 13.582 10.613 -0.597 1.00 74.20 H new ATOM 0 HG13 VAL A 84 14.116 11.436 0.888 1.00 74.20 H new ATOM 0 HG21 VAL A 84 11.974 10.165 2.710 1.00 71.42 H new ATOM 0 HG22 VAL A 84 12.377 11.899 2.727 1.00 71.42 H new ATOM 0 HG23 VAL A 84 10.697 11.379 2.455 1.00 71.42 H new ATOM 1290 N SER A 85 9.379 12.536 -0.623 1.00 72.21 N ATOM 1291 CA SER A 85 7.951 12.814 -0.516 1.00 63.24 C ATOM 1292 C SER A 85 7.164 12.018 -1.553 1.00 51.00 C ATOM 1293 O SER A 85 7.649 11.760 -2.655 1.00 30.12 O ATOM 1294 CB SER A 85 7.687 14.310 -0.697 1.00 34.24 C ATOM 1295 OG SER A 85 8.424 15.075 0.241 1.00 64.22 O ATOM 0 H SER A 85 9.665 12.137 -1.517 1.00 72.21 H new ATOM 0 HA SER A 85 7.620 12.511 0.477 1.00 63.24 H new ATOM 0 HB2 SER A 85 7.958 14.610 -1.709 1.00 34.24 H new ATOM 0 HB3 SER A 85 6.622 14.512 -0.579 1.00 34.24 H new ATOM 0 HG SER A 85 8.239 16.028 0.104 1.00 64.22 H new ATOM 1301 N LYS A 86 5.945 11.631 -1.192 1.00 1.42 N ATOM 1302 CA LYS A 86 5.088 10.866 -2.089 1.00 35.12 C ATOM 1303 C LYS A 86 4.330 11.790 -3.038 1.00 24.44 C ATOM 1304 O LYS A 86 3.766 12.799 -2.617 1.00 1.10 O ATOM 1305 CB LYS A 86 4.097 10.021 -1.284 1.00 2.53 C ATOM 1306 CG LYS A 86 4.716 9.352 -0.069 1.00 30.21 C ATOM 1307 CD LYS A 86 3.696 8.518 0.688 1.00 11.13 C ATOM 1308 CE LYS A 86 2.534 9.369 1.179 1.00 64.13 C ATOM 1309 NZ LYS A 86 3.002 10.564 1.935 1.00 63.35 N ATOM 0 H LYS A 86 5.529 11.835 -0.284 1.00 1.42 H new ATOM 0 HA LYS A 86 5.722 10.206 -2.681 1.00 35.12 H new ATOM 0 HB2 LYS A 86 3.272 10.655 -0.959 1.00 2.53 H new ATOM 0 HB3 LYS A 86 3.673 9.255 -1.934 1.00 2.53 H new ATOM 0 HG2 LYS A 86 5.544 8.717 -0.384 1.00 30.21 H new ATOM 0 HG3 LYS A 86 5.131 10.111 0.594 1.00 30.21 H new ATOM 0 HD2 LYS A 86 3.320 7.726 0.041 1.00 11.13 H new ATOM 0 HD3 LYS A 86 4.178 8.034 1.537 1.00 11.13 H new ATOM 0 HE2 LYS A 86 1.934 9.690 0.328 1.00 64.13 H new ATOM 0 HE3 LYS A 86 1.887 8.767 1.816 1.00 64.13 H new ATOM 0 HZ1 LYS A 86 2.317 10.792 2.683 1.00 63.35 H new ATOM 0 HZ2 LYS A 86 3.928 10.363 2.363 1.00 63.35 H new ATOM 0 HZ3 LYS A 86 3.089 11.373 1.287 1.00 63.35 H new ATOM 1323 N MET A 87 4.322 11.436 -4.319 1.00 15.13 N ATOM 1324 CA MET A 87 3.631 12.233 -5.326 1.00 72.21 C ATOM 1325 C MET A 87 2.596 11.393 -6.068 1.00 31.31 C ATOM 1326 O MET A 87 2.385 11.569 -7.267 1.00 41.32 O ATOM 1327 CB MET A 87 4.635 12.820 -6.320 1.00 22.14 C ATOM 1328 CG MET A 87 4.059 13.931 -7.181 1.00 54.54 C ATOM 1329 SD MET A 87 4.509 15.574 -6.589 1.00 61.03 S ATOM 1330 CE MET A 87 3.537 16.607 -7.684 1.00 24.43 C ATOM 0 H MET A 87 4.785 10.604 -4.684 1.00 15.13 H new ATOM 0 HA MET A 87 3.115 13.048 -4.817 1.00 72.21 H new ATOM 0 HB2 MET A 87 5.494 13.205 -5.771 1.00 22.14 H new ATOM 0 HB3 MET A 87 5.001 12.023 -6.967 1.00 22.14 H new ATOM 0 HG2 MET A 87 4.410 13.810 -8.206 1.00 54.54 H new ATOM 0 HG3 MET A 87 2.973 13.842 -7.203 1.00 54.54 H new ATOM 0 HE1 MET A 87 3.708 17.656 -7.442 1.00 24.43 H new ATOM 0 HE2 MET A 87 3.831 16.420 -8.717 1.00 24.43 H new ATOM 0 HE3 MET A 87 2.479 16.374 -7.560 1.00 24.43 H new ATOM 1340 N GLU A 88 1.954 10.479 -5.346 1.00 42.21 N ATOM 1341 CA GLU A 88 0.942 9.612 -5.938 1.00 24.21 C ATOM 1342 C GLU A 88 -0.456 10.185 -5.727 1.00 32.41 C ATOM 1343 O GLU A 88 -1.447 9.453 -5.731 1.00 1.02 O ATOM 1344 CB GLU A 88 1.027 8.208 -5.335 1.00 73.24 C ATOM 1345 CG GLU A 88 0.407 7.131 -6.211 1.00 5.50 C ATOM 1346 CD GLU A 88 -0.084 5.940 -5.412 1.00 3.24 C ATOM 1347 OE1 GLU A 88 0.734 5.043 -5.120 1.00 70.31 O ATOM 1348 OE2 GLU A 88 -1.287 5.906 -5.077 1.00 44.23 O ATOM 0 H GLU A 88 2.117 10.320 -4.352 1.00 42.21 H new ATOM 0 HA GLU A 88 1.133 9.552 -7.010 1.00 24.21 H new ATOM 0 HB2 GLU A 88 2.074 7.961 -5.156 1.00 73.24 H new ATOM 0 HB3 GLU A 88 0.529 8.207 -4.365 1.00 73.24 H new ATOM 0 HG2 GLU A 88 -0.426 7.557 -6.770 1.00 5.50 H new ATOM 0 HG3 GLU A 88 1.142 6.795 -6.942 1.00 5.50 H new ATOM 1355 N THR A 89 -0.529 11.499 -5.542 1.00 54.11 N ATOM 1356 CA THR A 89 -1.805 12.171 -5.328 1.00 22.14 C ATOM 1357 C THR A 89 -2.434 12.591 -6.651 1.00 10.52 C ATOM 1358 O THR A 89 -1.989 13.548 -7.286 1.00 61.23 O ATOM 1359 CB THR A 89 -1.642 13.413 -4.432 1.00 4.41 C ATOM 1360 OG1 THR A 89 -0.309 13.926 -4.544 1.00 14.52 O ATOM 1361 CG2 THR A 89 -1.940 13.076 -2.979 1.00 12.11 C ATOM 0 H THR A 89 0.281 12.119 -5.536 1.00 54.11 H new ATOM 0 HA THR A 89 -2.459 11.456 -4.829 1.00 22.14 H new ATOM 0 HB THR A 89 -2.352 14.170 -4.766 1.00 4.41 H new ATOM 0 HG1 THR A 89 -0.214 14.717 -3.973 1.00 14.52 H new ATOM 0 HG21 THR A 89 -1.818 13.969 -2.366 1.00 12.11 H new ATOM 0 HG22 THR A 89 -2.964 12.713 -2.892 1.00 12.11 H new ATOM 0 HG23 THR A 89 -1.251 12.304 -2.636 1.00 12.11 H new ATOM 1369 N THR A 90 -3.473 11.872 -7.062 1.00 34.51 N ATOM 1370 CA THR A 90 -4.164 12.170 -8.310 1.00 61.12 C ATOM 1371 C THR A 90 -5.565 12.711 -8.048 1.00 5.41 C ATOM 1372 O THR A 90 -6.087 12.597 -6.940 1.00 4.41 O ATOM 1373 CB THR A 90 -4.268 10.922 -9.207 1.00 20.32 C ATOM 1374 OG1 THR A 90 -4.618 9.779 -8.418 1.00 2.35 O ATOM 1375 CG2 THR A 90 -2.954 10.663 -9.929 1.00 31.25 C ATOM 0 H THR A 90 -3.855 11.078 -6.548 1.00 34.51 H new ATOM 0 HA THR A 90 -3.574 12.929 -8.823 1.00 61.12 H new ATOM 0 HB THR A 90 -5.044 11.101 -9.951 1.00 20.32 H new ATOM 0 HG1 THR A 90 -4.684 8.990 -8.996 1.00 2.35 H new ATOM 0 HG21 THR A 90 -3.052 9.777 -10.556 1.00 31.25 H new ATOM 0 HG22 THR A 90 -2.705 11.523 -10.552 1.00 31.25 H new ATOM 0 HG23 THR A 90 -2.162 10.504 -9.197 1.00 31.25 H new ATOM 1383 N ASN A 91 -6.168 13.300 -9.075 1.00 52.51 N ATOM 1384 CA ASN A 91 -7.510 13.860 -8.955 1.00 23.21 C ATOM 1385 C ASN A 91 -8.568 12.807 -9.269 1.00 32.24 C ATOM 1386 O ASN A 91 -8.565 11.719 -8.693 1.00 12.24 O ATOM 1387 CB ASN A 91 -7.671 15.057 -9.894 1.00 15.25 C ATOM 1388 CG ASN A 91 -7.419 16.379 -9.194 1.00 32.33 C ATOM 1389 OD1 ASN A 91 -6.664 16.446 -8.224 1.00 22.11 O ATOM 1390 ND2 ASN A 91 -8.053 17.438 -9.684 1.00 22.13 N ATOM 0 H ASN A 91 -5.749 13.402 -10.000 1.00 52.51 H new ATOM 0 HA ASN A 91 -7.648 14.193 -7.926 1.00 23.21 H new ATOM 0 HB2 ASN A 91 -6.980 14.954 -10.731 1.00 15.25 H new ATOM 0 HB3 ASN A 91 -8.678 15.056 -10.311 1.00 15.25 H new ATOM 0 HD21 ASN A 91 -7.923 18.354 -9.254 1.00 22.13 H new ATOM 0 HD22 ASN A 91 -8.670 17.335 -10.490 1.00 22.13 H new TER 1397 ASN A 91