USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 834 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 88 ASN : amide:sc= -2.56! K(o=-2.3!,f=-0.8) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.213 K(o=-2.3,f=-0.95) USER MOD Set 2.1: A 16 ASN : amide:sc= -0.97 K(o=1.5,f=0.97!) USER MOD Set 2.2: A 58 THR OG1 : rot -30:sc= 0.972 USER MOD Set 2.3: A 79 TYR OH : rot 164:sc= 1.49 USER MOD Set 3.1: A 59 SER OG : rot -70:sc= 0.0722 USER MOD Set 3.2: A 97 THR OG1 : rot 180:sc= 0.328 USER MOD Set 4.1: A 24 THR OG1 : rot 163:sc= 0.293 USER MOD Set 4.2: A 27 TYR OH : rot -112:sc= -0.248 USER MOD Set 4.3: A 51 GLN : amide:sc= -0.0549 K(o=-0.0095,f=-0.75) USER MOD Set 5.1: A 42 ASN : amide:sc= 0.641 K(o=1.4,f=-1.2) USER MOD Set 5.2: A 45 LYS NZ :NH3+ -157:sc= 0.729 (180deg=0) USER MOD Set 6.1: A 17 ASN : amide:sc= 0.61 K(o=0.64,f=-2.2!) USER MOD Set 6.2: A 19 THR OG1 : rot 180:sc= 0.0297 USER MOD Set 7.1: A 13 GLN : amide:sc= 0.0959 X(o=0.84,f=0.69) USER MOD Set 7.2: A 30 THR OG1 : rot -73:sc= 0.742 USER MOD Set 8.1: A 7 HIS : no HE2:sc= 0.0483 K(o=0.048,f=-0.53) USER MOD Set 8.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0759 (180deg=-0.462) USER MOD Single : A 1 MET N :NH3+ -130:sc= 1.24 (180deg=-0.0145) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.11) USER MOD Single : A 15 GLN : amide:sc= 0.914 K(o=0.91,f=-6.4!) USER MOD Single : A 18 ASN : amide:sc=-0.00647 K(o=-0.0065,f=-1.9) USER MOD Single : A 21 ASN : amide:sc= -0.0237 K(o=-0.024,f=-1.7!) USER MOD Single : A 23 LYS NZ :NH3+ -148:sc=-0.00231 (180deg=-0.157) USER MOD Single : A 28 THR OG1 : rot 65:sc= 0.5 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.398 K(o=-0.4,f=-3.9!) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.101 (180deg=-0.501) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0138) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0395) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0828) USER MOD Single : A 56 SER OG : rot 36:sc= 0.035 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= 0.153 (180deg=0.00263) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 0.403 (180deg=0.165) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.00198 X(o=0.002,f=0.22) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 66:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.378 15.804 -30.335 1.00 2.13 N ATOM 2 CA MET A 1 -4.063 15.078 -29.233 1.00 45.02 C ATOM 3 C MET A 1 -3.331 13.770 -28.893 1.00 33.13 C ATOM 4 O MET A 1 -2.460 13.320 -29.649 1.00 62.42 O ATOM 5 CB MET A 1 -5.544 14.796 -29.593 1.00 62.24 C ATOM 6 CG MET A 1 -5.749 13.914 -30.835 1.00 21.14 C ATOM 7 SD MET A 1 -5.250 14.726 -32.371 1.00 35.22 S ATOM 8 CE MET A 1 -6.452 16.055 -32.480 1.00 53.22 C ATOM 0 H1 MET A 1 -3.231 16.796 -30.059 1.00 2.13 H new ATOM 0 H2 MET A 1 -2.458 15.358 -30.526 1.00 2.13 H new ATOM 0 H3 MET A 1 -3.965 15.767 -31.193 1.00 2.13 H new ATOM 0 HA MET A 1 -4.041 15.717 -28.350 1.00 45.02 H new ATOM 0 HB2 MET A 1 -6.025 14.316 -28.741 1.00 62.24 H new ATOM 0 HB3 MET A 1 -6.052 15.747 -29.752 1.00 62.24 H new ATOM 0 HG2 MET A 1 -5.180 12.992 -30.717 1.00 21.14 H new ATOM 0 HG3 MET A 1 -6.800 13.633 -30.904 1.00 21.14 H new ATOM 0 HE1 MET A 1 -6.495 16.423 -33.505 1.00 53.22 H new ATOM 0 HE2 MET A 1 -7.434 15.683 -32.187 1.00 53.22 H new ATOM 0 HE3 MET A 1 -6.158 16.867 -31.815 1.00 53.22 H new ATOM 20 N HIS A 2 -3.710 13.178 -27.741 1.00 64.40 N ATOM 21 CA HIS A 2 -3.167 11.904 -27.222 1.00 43.21 C ATOM 22 C HIS A 2 -1.653 12.008 -26.957 1.00 2.45 C ATOM 23 O HIS A 2 -0.829 11.450 -27.693 1.00 31.41 O ATOM 24 CB HIS A 2 -3.516 10.701 -28.146 1.00 4.41 C ATOM 25 CG HIS A 2 -4.992 10.542 -28.402 1.00 74.44 C ATOM 26 ND1 HIS A 2 -5.535 10.466 -29.663 1.00 71.03 N ATOM 27 CD2 HIS A 2 -6.038 10.455 -27.545 1.00 20.15 C ATOM 28 CE1 HIS A 2 -6.839 10.343 -29.574 1.00 42.12 C ATOM 29 NE2 HIS A 2 -7.172 10.334 -28.302 1.00 34.00 N ATOM 0 H HIS A 2 -4.420 13.583 -27.130 1.00 64.40 H new ATOM 0 HA HIS A 2 -3.652 11.711 -26.265 1.00 43.21 H new ATOM 0 HB2 HIS A 2 -3.002 10.826 -29.099 1.00 4.41 H new ATOM 0 HB3 HIS A 2 -3.134 9.785 -27.695 1.00 4.41 H new ATOM 0 HD2 HIS A 2 -5.987 10.477 -26.466 1.00 20.15 H new ATOM 0 HE1 HIS A 2 -7.523 10.263 -30.406 1.00 42.12 H new ATOM 0 HE2 HIS A 2 -8.121 10.250 -27.938 1.00 34.00 H new ATOM 38 N HIS A 3 -1.301 12.785 -25.922 1.00 5.42 N ATOM 39 CA HIS A 3 0.098 13.044 -25.537 1.00 31.42 C ATOM 40 C HIS A 3 0.223 13.074 -24.012 1.00 41.43 C ATOM 41 O HIS A 3 -0.684 13.545 -23.310 1.00 25.30 O ATOM 42 CB HIS A 3 0.592 14.397 -26.127 1.00 44.34 C ATOM 43 CG HIS A 3 0.707 14.427 -27.631 1.00 50.50 C ATOM 44 ND1 HIS A 3 -0.080 15.220 -28.438 1.00 70.04 N ATOM 45 CD2 HIS A 3 1.533 13.760 -28.469 1.00 61.04 C ATOM 46 CE1 HIS A 3 0.263 15.036 -29.698 1.00 71.04 C ATOM 47 NE2 HIS A 3 1.235 14.157 -29.738 1.00 24.25 N ATOM 0 H HIS A 3 -1.981 13.255 -25.324 1.00 5.42 H new ATOM 0 HA HIS A 3 0.717 12.241 -25.938 1.00 31.42 H new ATOM 0 HB2 HIS A 3 -0.092 15.185 -25.813 1.00 44.34 H new ATOM 0 HB3 HIS A 3 1.566 14.631 -25.697 1.00 44.34 H new ATOM 0 HD2 HIS A 3 2.290 13.044 -28.185 1.00 61.04 H new ATOM 0 HE1 HIS A 3 -0.181 15.526 -30.552 1.00 71.04 H new ATOM 0 HE2 HIS A 3 1.695 13.823 -30.585 1.00 24.25 H new ATOM 56 N HIS A 4 1.359 12.569 -23.522 1.00 42.04 N ATOM 57 CA HIS A 4 1.744 12.625 -22.108 1.00 4.13 C ATOM 58 C HIS A 4 3.274 12.749 -22.048 1.00 64.10 C ATOM 59 O HIS A 4 3.982 11.736 -22.073 1.00 33.04 O ATOM 60 CB HIS A 4 1.253 11.367 -21.337 1.00 64.02 C ATOM 61 CG HIS A 4 1.554 11.402 -19.852 1.00 54.21 C ATOM 62 ND1 HIS A 4 2.770 11.024 -19.319 1.00 44.35 N ATOM 63 CD2 HIS A 4 0.796 11.781 -18.792 1.00 3.15 C ATOM 64 CE1 HIS A 4 2.745 11.168 -18.011 1.00 61.25 C ATOM 65 NE2 HIS A 4 1.562 11.626 -17.663 1.00 24.23 N ATOM 0 H HIS A 4 2.050 12.101 -24.108 1.00 42.04 H new ATOM 0 HA HIS A 4 1.276 13.484 -21.627 1.00 4.13 H new ATOM 0 HB2 HIS A 4 0.177 11.263 -21.478 1.00 64.02 H new ATOM 0 HB3 HIS A 4 1.718 10.482 -21.771 1.00 64.02 H new ATOM 0 HD1 HIS A 4 3.567 10.685 -19.857 1.00 44.35 H new ATOM 0 HD2 HIS A 4 -0.222 12.139 -18.830 1.00 3.15 H new ATOM 0 HE1 HIS A 4 3.559 10.947 -17.337 1.00 61.25 H new ATOM 74 N HIS A 5 3.761 13.999 -22.029 1.00 22.50 N ATOM 75 CA HIS A 5 5.200 14.319 -22.003 1.00 53.21 C ATOM 76 C HIS A 5 5.836 13.812 -20.695 1.00 41.52 C ATOM 77 O HIS A 5 6.747 12.978 -20.726 1.00 42.30 O ATOM 78 CB HIS A 5 5.387 15.854 -22.168 1.00 63.52 C ATOM 79 CG HIS A 5 6.804 16.324 -22.394 1.00 33.41 C ATOM 80 ND1 HIS A 5 7.320 17.472 -21.826 1.00 33.14 N ATOM 81 CD2 HIS A 5 7.790 15.838 -23.191 1.00 30.12 C ATOM 82 CE1 HIS A 5 8.545 17.671 -22.270 1.00 62.44 C ATOM 83 NE2 HIS A 5 8.856 16.696 -23.094 1.00 71.34 N ATOM 0 H HIS A 5 3.163 14.825 -22.031 1.00 22.50 H new ATOM 0 HA HIS A 5 5.704 13.817 -22.829 1.00 53.21 H new ATOM 0 HB2 HIS A 5 4.776 16.187 -23.007 1.00 63.52 H new ATOM 0 HB3 HIS A 5 4.999 16.346 -21.276 1.00 63.52 H new ATOM 0 HD2 HIS A 5 7.744 14.941 -23.791 1.00 30.12 H new ATOM 0 HE1 HIS A 5 9.186 18.498 -22.001 1.00 62.44 H new ATOM 0 HE2 HIS A 5 9.746 16.594 -23.582 1.00 71.34 H new ATOM 92 N HIS A 6 5.319 14.329 -19.558 1.00 32.14 N ATOM 93 CA HIS A 6 5.721 13.927 -18.190 1.00 53.45 C ATOM 94 C HIS A 6 4.691 14.455 -17.170 1.00 60.14 C ATOM 95 O HIS A 6 3.870 15.324 -17.491 1.00 1.34 O ATOM 96 CB HIS A 6 7.165 14.432 -17.822 1.00 43.44 C ATOM 97 CG HIS A 6 8.283 13.480 -18.193 1.00 73.22 C ATOM 98 ND1 HIS A 6 9.351 13.828 -18.992 1.00 41.14 N ATOM 99 CD2 HIS A 6 8.481 12.179 -17.863 1.00 54.21 C ATOM 100 CE1 HIS A 6 10.149 12.791 -19.132 1.00 73.45 C ATOM 101 NE2 HIS A 6 9.643 11.777 -18.461 1.00 72.31 N ATOM 0 H HIS A 6 4.598 15.050 -19.565 1.00 32.14 H new ATOM 0 HA HIS A 6 5.746 12.838 -18.157 1.00 53.45 H new ATOM 0 HB2 HIS A 6 7.339 15.386 -18.319 1.00 43.44 H new ATOM 0 HB3 HIS A 6 7.207 14.619 -16.749 1.00 43.44 H new ATOM 0 HD2 HIS A 6 7.839 11.572 -17.242 1.00 54.21 H new ATOM 0 HE1 HIS A 6 11.066 12.774 -19.702 1.00 73.45 H new ATOM 0 HE2 HIS A 6 10.051 10.844 -18.398 1.00 72.31 H new ATOM 110 N HIS A 7 4.750 13.922 -15.937 1.00 20.35 N ATOM 111 CA HIS A 7 3.916 14.385 -14.812 1.00 72.12 C ATOM 112 C HIS A 7 4.753 14.343 -13.520 1.00 73.33 C ATOM 113 O HIS A 7 4.726 13.358 -12.777 1.00 74.44 O ATOM 114 CB HIS A 7 2.619 13.537 -14.668 1.00 61.33 C ATOM 115 CG HIS A 7 1.651 14.074 -13.633 1.00 3.45 C ATOM 116 ND1 HIS A 7 1.618 13.634 -12.325 1.00 32.12 N ATOM 117 CD2 HIS A 7 0.703 15.040 -13.714 1.00 25.15 C ATOM 118 CE1 HIS A 7 0.689 14.293 -11.662 1.00 24.13 C ATOM 119 NE2 HIS A 7 0.125 15.151 -12.477 1.00 21.12 N ATOM 0 H HIS A 7 5.378 13.157 -15.691 1.00 20.35 H new ATOM 0 HA HIS A 7 3.598 15.409 -15.007 1.00 72.12 H new ATOM 0 HB2 HIS A 7 2.116 13.492 -15.634 1.00 61.33 H new ATOM 0 HB3 HIS A 7 2.891 12.515 -14.402 1.00 61.33 H new ATOM 0 HD1 HIS A 7 2.220 12.910 -11.932 1.00 32.12 H new ATOM 0 HD2 HIS A 7 0.450 15.616 -14.592 1.00 25.15 H new ATOM 0 HE1 HIS A 7 0.435 14.150 -10.622 1.00 24.13 H new ATOM 128 N ARG A 8 5.568 15.391 -13.324 1.00 11.33 N ATOM 129 CA ARG A 8 6.374 15.574 -12.108 1.00 32.01 C ATOM 130 C ARG A 8 5.589 16.446 -11.114 1.00 43.34 C ATOM 131 O ARG A 8 5.448 17.656 -11.303 1.00 14.21 O ATOM 132 CB ARG A 8 7.747 16.212 -12.460 1.00 42.44 C ATOM 133 CG ARG A 8 8.622 16.605 -11.236 1.00 12.03 C ATOM 134 CD ARG A 8 10.063 16.973 -11.630 1.00 21.53 C ATOM 135 NE ARG A 8 10.786 15.813 -12.180 1.00 30.35 N ATOM 136 CZ ARG A 8 11.887 15.864 -12.944 1.00 31.44 C ATOM 137 NH1 ARG A 8 12.436 17.028 -13.297 1.00 11.41 N ATOM 138 NH2 ARG A 8 12.436 14.732 -13.361 1.00 25.20 N ATOM 0 H ARG A 8 5.687 16.138 -14.008 1.00 11.33 H new ATOM 0 HA ARG A 8 6.573 14.607 -11.646 1.00 32.01 H new ATOM 0 HB2 ARG A 8 8.308 15.512 -13.079 1.00 42.44 H new ATOM 0 HB3 ARG A 8 7.573 17.102 -13.064 1.00 42.44 H new ATOM 0 HG2 ARG A 8 8.163 17.450 -10.723 1.00 12.03 H new ATOM 0 HG3 ARG A 8 8.644 15.776 -10.529 1.00 12.03 H new ATOM 0 HD2 ARG A 8 10.046 17.775 -12.368 1.00 21.53 H new ATOM 0 HD3 ARG A 8 10.594 17.353 -10.757 1.00 21.53 H new ATOM 0 HE ARG A 8 10.416 14.888 -11.960 1.00 30.35 H new ATOM 0 HH11 ARG A 8 12.018 17.905 -12.985 1.00 11.41 H new ATOM 0 HH12 ARG A 8 13.274 17.041 -13.879 1.00 11.41 H new ATOM 0 HH21 ARG A 8 12.021 13.838 -13.100 1.00 25.20 H new ATOM 0 HH22 ARG A 8 13.274 14.755 -13.943 1.00 25.20 H new ATOM 152 N SER A 9 5.022 15.792 -10.103 1.00 4.53 N ATOM 153 CA SER A 9 4.262 16.439 -9.021 1.00 54.11 C ATOM 154 C SER A 9 4.567 15.699 -7.700 1.00 54.11 C ATOM 155 O SER A 9 5.577 14.983 -7.613 1.00 61.44 O ATOM 156 CB SER A 9 2.747 16.396 -9.359 1.00 4.11 C ATOM 157 OG SER A 9 2.438 17.151 -10.529 1.00 75.30 O ATOM 0 H SER A 9 5.075 14.778 -10.005 1.00 4.53 H new ATOM 0 HA SER A 9 4.551 17.484 -8.913 1.00 54.11 H new ATOM 0 HB2 SER A 9 2.437 15.361 -9.503 1.00 4.11 H new ATOM 0 HB3 SER A 9 2.176 16.785 -8.516 1.00 4.11 H new ATOM 0 HG SER A 9 1.476 17.097 -10.708 1.00 75.30 H new ATOM 163 N GLY A 10 3.708 15.878 -6.672 1.00 14.42 N ATOM 164 CA GLY A 10 3.806 15.104 -5.429 1.00 43.24 C ATOM 165 C GLY A 10 3.115 13.752 -5.553 1.00 21.13 C ATOM 166 O GLY A 10 2.240 13.405 -4.742 1.00 44.34 O ATOM 0 H GLY A 10 2.943 16.552 -6.685 1.00 14.42 H new ATOM 0 HA2 GLY A 10 4.855 14.955 -5.175 1.00 43.24 H new ATOM 0 HA3 GLY A 10 3.357 15.669 -4.612 1.00 43.24 H new ATOM 170 N ASP A 11 3.525 12.987 -6.579 1.00 1.41 N ATOM 171 CA ASP A 11 2.868 11.739 -6.973 1.00 34.12 C ATOM 172 C ASP A 11 3.063 10.648 -5.916 1.00 13.21 C ATOM 173 O ASP A 11 4.189 10.391 -5.464 1.00 42.10 O ATOM 174 CB ASP A 11 3.408 11.242 -8.336 1.00 50.45 C ATOM 175 CG ASP A 11 2.907 12.075 -9.527 1.00 73.13 C ATOM 176 OD1 ASP A 11 1.820 11.760 -10.057 1.00 62.14 O ATOM 177 OD2 ASP A 11 3.599 13.036 -9.942 1.00 45.44 O ATOM 0 H ASP A 11 4.329 13.224 -7.160 1.00 1.41 H new ATOM 0 HA ASP A 11 1.802 11.948 -7.064 1.00 34.12 H new ATOM 0 HB2 ASP A 11 4.498 11.265 -8.318 1.00 50.45 H new ATOM 0 HB3 ASP A 11 3.113 10.202 -8.479 1.00 50.45 H new ATOM 182 N ILE A 12 1.949 10.035 -5.537 1.00 10.43 N ATOM 183 CA ILE A 12 1.918 8.854 -4.685 1.00 21.01 C ATOM 184 C ILE A 12 2.370 7.648 -5.531 1.00 33.32 C ATOM 185 O ILE A 12 1.614 7.135 -6.370 1.00 64.35 O ATOM 186 CB ILE A 12 0.461 8.640 -4.132 1.00 11.20 C ATOM 187 CG1 ILE A 12 -0.021 9.909 -3.365 1.00 34.12 C ATOM 188 CG2 ILE A 12 0.360 7.379 -3.254 1.00 43.21 C ATOM 189 CD1 ILE A 12 -1.496 9.911 -3.000 1.00 23.23 C ATOM 0 H ILE A 12 1.022 10.352 -5.820 1.00 10.43 H new ATOM 0 HA ILE A 12 2.585 8.972 -3.831 1.00 21.01 H new ATOM 0 HB ILE A 12 -0.200 8.483 -4.984 1.00 11.20 H new ATOM 0 HG12 ILE A 12 0.565 10.009 -2.451 1.00 34.12 H new ATOM 0 HG13 ILE A 12 0.189 10.787 -3.976 1.00 34.12 H new ATOM 0 HG21 ILE A 12 -0.662 7.268 -2.893 1.00 43.21 H new ATOM 0 HG22 ILE A 12 0.634 6.503 -3.842 1.00 43.21 H new ATOM 0 HG23 ILE A 12 1.037 7.472 -2.405 1.00 43.21 H new ATOM 0 HD11 ILE A 12 -1.738 10.832 -2.470 1.00 23.23 H new ATOM 0 HD12 ILE A 12 -2.096 9.846 -3.908 1.00 23.23 H new ATOM 0 HD13 ILE A 12 -1.714 9.056 -2.360 1.00 23.23 H new ATOM 201 N GLN A 13 3.626 7.246 -5.334 1.00 2.02 N ATOM 202 CA GLN A 13 4.224 6.111 -6.028 1.00 3.24 C ATOM 203 C GLN A 13 3.905 4.830 -5.255 1.00 32.34 C ATOM 204 O GLN A 13 4.386 4.642 -4.135 1.00 12.24 O ATOM 205 CB GLN A 13 5.755 6.313 -6.162 1.00 1.23 C ATOM 206 CG GLN A 13 6.486 5.184 -6.915 1.00 33.42 C ATOM 207 CD GLN A 13 6.025 5.010 -8.367 1.00 10.04 C ATOM 208 OE1 GLN A 13 5.633 5.963 -9.042 1.00 20.35 O ATOM 209 NE2 GLN A 13 6.065 3.793 -8.854 1.00 35.12 N ATOM 0 H GLN A 13 4.261 7.705 -4.681 1.00 2.02 H new ATOM 0 HA GLN A 13 3.809 6.031 -7.033 1.00 3.24 H new ATOM 0 HB2 GLN A 13 5.940 7.255 -6.677 1.00 1.23 H new ATOM 0 HB3 GLN A 13 6.185 6.405 -5.165 1.00 1.23 H new ATOM 0 HG2 GLN A 13 7.557 5.387 -6.905 1.00 33.42 H new ATOM 0 HG3 GLN A 13 6.335 4.246 -6.381 1.00 33.42 H new ATOM 0 HE21 GLN A 13 6.394 3.022 -8.273 1.00 35.12 H new ATOM 0 HE22 GLN A 13 5.767 3.618 -9.814 1.00 35.12 H new ATOM 218 N VAL A 14 3.047 3.992 -5.846 1.00 63.31 N ATOM 219 CA VAL A 14 2.617 2.710 -5.278 1.00 62.14 C ATOM 220 C VAL A 14 3.527 1.599 -5.843 1.00 20.40 C ATOM 221 O VAL A 14 3.467 1.309 -7.038 1.00 14.32 O ATOM 222 CB VAL A 14 1.105 2.428 -5.641 1.00 5.11 C ATOM 223 CG1 VAL A 14 0.552 1.211 -4.867 1.00 42.34 C ATOM 224 CG2 VAL A 14 0.228 3.685 -5.415 1.00 51.14 C ATOM 0 H VAL A 14 2.623 4.190 -6.752 1.00 63.31 H new ATOM 0 HA VAL A 14 2.699 2.737 -4.191 1.00 62.14 H new ATOM 0 HB VAL A 14 1.065 2.184 -6.702 1.00 5.11 H new ATOM 0 HG11 VAL A 14 -0.490 1.048 -5.142 1.00 42.34 H new ATOM 0 HG12 VAL A 14 1.136 0.325 -5.116 1.00 42.34 H new ATOM 0 HG13 VAL A 14 0.619 1.400 -3.796 1.00 42.34 H new ATOM 0 HG21 VAL A 14 -0.806 3.458 -5.674 1.00 51.14 H new ATOM 0 HG22 VAL A 14 0.283 3.984 -4.368 1.00 51.14 H new ATOM 0 HG23 VAL A 14 0.589 4.499 -6.044 1.00 51.14 H new ATOM 234 N GLN A 15 4.402 1.025 -5.006 1.00 74.31 N ATOM 235 CA GLN A 15 5.363 -0.016 -5.429 1.00 62.53 C ATOM 236 C GLN A 15 5.105 -1.311 -4.636 1.00 24.02 C ATOM 237 O GLN A 15 5.473 -1.406 -3.467 1.00 24.54 O ATOM 238 CB GLN A 15 6.814 0.510 -5.199 1.00 34.34 C ATOM 239 CG GLN A 15 7.947 -0.492 -5.504 1.00 13.23 C ATOM 240 CD GLN A 15 9.346 0.066 -5.211 1.00 34.41 C ATOM 241 OE1 GLN A 15 9.862 -0.056 -4.099 1.00 62.00 O ATOM 242 NE2 GLN A 15 9.971 0.685 -6.198 1.00 53.41 N ATOM 0 H GLN A 15 4.468 1.265 -4.017 1.00 74.31 H new ATOM 0 HA GLN A 15 5.237 -0.240 -6.488 1.00 62.53 H new ATOM 0 HB2 GLN A 15 6.962 1.396 -5.817 1.00 34.34 H new ATOM 0 HB3 GLN A 15 6.905 0.827 -4.160 1.00 34.34 H new ATOM 0 HG2 GLN A 15 7.793 -1.395 -4.913 1.00 13.23 H new ATOM 0 HG3 GLN A 15 7.892 -0.784 -6.553 1.00 13.23 H new ATOM 0 HE21 GLN A 15 9.523 0.773 -7.110 1.00 53.41 H new ATOM 0 HE22 GLN A 15 10.902 1.074 -6.048 1.00 53.41 H new ATOM 251 N ASN A 16 4.481 -2.301 -5.291 1.00 62.34 N ATOM 252 CA ASN A 16 4.145 -3.613 -4.693 1.00 62.42 C ATOM 253 C ASN A 16 5.079 -4.680 -5.278 1.00 10.40 C ATOM 254 O ASN A 16 5.005 -4.986 -6.475 1.00 45.11 O ATOM 255 CB ASN A 16 2.667 -3.991 -4.990 1.00 44.40 C ATOM 256 CG ASN A 16 1.657 -2.971 -4.461 1.00 64.31 C ATOM 257 OD1 ASN A 16 1.417 -1.944 -5.091 1.00 32.14 O ATOM 258 ND2 ASN A 16 1.023 -3.261 -3.334 1.00 70.04 N ATOM 0 H ASN A 16 4.189 -2.217 -6.265 1.00 62.34 H new ATOM 0 HA ASN A 16 4.272 -3.555 -3.612 1.00 62.42 H new ATOM 0 HB2 ASN A 16 2.536 -4.094 -6.067 1.00 44.40 H new ATOM 0 HB3 ASN A 16 2.454 -4.964 -4.548 1.00 44.40 H new ATOM 0 HD21 ASN A 16 0.315 -2.624 -2.969 1.00 70.04 H new ATOM 0 HD22 ASN A 16 1.243 -4.121 -2.832 1.00 70.04 H new ATOM 265 N ASN A 17 5.948 -5.244 -4.437 1.00 61.20 N ATOM 266 CA ASN A 17 7.001 -6.179 -4.860 1.00 53.32 C ATOM 267 C ASN A 17 6.770 -7.569 -4.254 1.00 24.44 C ATOM 268 O ASN A 17 6.669 -7.707 -3.035 1.00 74.44 O ATOM 269 CB ASN A 17 8.389 -5.618 -4.451 1.00 71.44 C ATOM 270 CG ASN A 17 9.543 -6.600 -4.688 1.00 51.34 C ATOM 271 OD1 ASN A 17 9.983 -7.300 -3.771 1.00 21.51 O ATOM 272 ND2 ASN A 17 10.002 -6.696 -5.922 1.00 44.21 N ATOM 0 H ASN A 17 5.943 -5.065 -3.433 1.00 61.20 H new ATOM 0 HA ASN A 17 6.969 -6.283 -5.945 1.00 53.32 H new ATOM 0 HB2 ASN A 17 8.581 -4.703 -5.011 1.00 71.44 H new ATOM 0 HB3 ASN A 17 8.365 -5.347 -3.396 1.00 71.44 H new ATOM 0 HD21 ASN A 17 10.742 -7.363 -6.140 1.00 44.21 H new ATOM 0 HD22 ASN A 17 9.617 -6.103 -6.657 1.00 44.21 H new ATOM 279 N ASN A 18 6.706 -8.589 -5.121 1.00 4.32 N ATOM 280 CA ASN A 18 6.629 -10.002 -4.720 1.00 23.42 C ATOM 281 C ASN A 18 7.897 -10.700 -5.232 1.00 62.32 C ATOM 282 O ASN A 18 8.075 -10.827 -6.451 1.00 20.41 O ATOM 283 CB ASN A 18 5.370 -10.672 -5.340 1.00 64.11 C ATOM 284 CG ASN A 18 4.049 -10.101 -4.818 1.00 24.32 C ATOM 285 OD1 ASN A 18 3.461 -10.626 -3.874 1.00 63.21 O ATOM 286 ND2 ASN A 18 3.573 -9.019 -5.427 1.00 55.00 N ATOM 0 H ASN A 18 6.706 -8.455 -6.132 1.00 4.32 H new ATOM 0 HA ASN A 18 6.555 -10.083 -3.636 1.00 23.42 H new ATOM 0 HB2 ASN A 18 5.403 -10.555 -6.423 1.00 64.11 H new ATOM 0 HB3 ASN A 18 5.400 -11.742 -5.134 1.00 64.11 H new ATOM 0 HD21 ASN A 18 2.697 -8.601 -5.114 1.00 55.00 H new ATOM 0 HD22 ASN A 18 4.084 -8.607 -6.207 1.00 55.00 H new ATOM 293 N THR A 19 8.776 -11.143 -4.318 1.00 74.33 N ATOM 294 CA THR A 19 10.016 -11.849 -4.690 1.00 51.21 C ATOM 295 C THR A 19 9.812 -13.366 -4.506 1.00 33.02 C ATOM 296 O THR A 19 9.736 -13.846 -3.376 1.00 74.14 O ATOM 297 CB THR A 19 11.228 -11.350 -3.830 1.00 71.35 C ATOM 298 OG1 THR A 19 11.316 -9.913 -3.906 1.00 54.02 O ATOM 299 CG2 THR A 19 12.576 -11.971 -4.274 1.00 50.12 C ATOM 0 H THR A 19 8.651 -11.025 -3.313 1.00 74.33 H new ATOM 0 HA THR A 19 10.243 -11.637 -5.735 1.00 51.21 H new ATOM 0 HB THR A 19 11.045 -11.671 -2.804 1.00 71.35 H new ATOM 0 HG1 THR A 19 12.073 -9.603 -3.367 1.00 54.02 H new ATOM 0 HG21 THR A 19 13.378 -11.589 -3.643 1.00 50.12 H new ATOM 0 HG22 THR A 19 12.526 -13.056 -4.179 1.00 50.12 H new ATOM 0 HG23 THR A 19 12.774 -11.706 -5.313 1.00 50.12 H new ATOM 307 N CYS A 20 9.720 -14.072 -5.643 1.00 50.50 N ATOM 308 CA CYS A 20 9.611 -15.542 -5.756 1.00 21.42 C ATOM 309 C CYS A 20 9.701 -15.875 -7.254 1.00 30.24 C ATOM 310 O CYS A 20 8.688 -16.178 -7.906 1.00 33.24 O ATOM 311 CB CYS A 20 8.315 -16.120 -5.107 1.00 13.33 C ATOM 312 SG CYS A 20 8.375 -16.197 -3.281 1.00 21.50 S ATOM 0 H CYS A 20 9.719 -13.615 -6.555 1.00 50.50 H new ATOM 0 HA CYS A 20 10.420 -16.014 -5.198 1.00 21.42 H new ATOM 0 HB2 CYS A 20 7.465 -15.508 -5.408 1.00 13.33 H new ATOM 0 HB3 CYS A 20 8.140 -17.122 -5.498 1.00 13.33 H new ATOM 317 N ASN A 21 10.930 -15.683 -7.791 1.00 52.34 N ATOM 318 CA ASN A 21 11.289 -15.868 -9.211 1.00 14.13 C ATOM 319 C ASN A 21 10.730 -14.728 -10.099 1.00 71.30 C ATOM 320 O ASN A 21 11.502 -13.933 -10.647 1.00 11.42 O ATOM 321 CB ASN A 21 10.894 -17.279 -9.754 1.00 4.11 C ATOM 322 CG ASN A 21 11.631 -18.448 -9.070 1.00 61.15 C ATOM 323 OD1 ASN A 21 11.991 -18.389 -7.887 1.00 52.01 O ATOM 324 ND2 ASN A 21 11.872 -19.525 -9.814 1.00 61.41 N ATOM 0 H ASN A 21 11.724 -15.385 -7.224 1.00 52.34 H new ATOM 0 HA ASN A 21 12.376 -15.815 -9.263 1.00 14.13 H new ATOM 0 HB2 ASN A 21 9.820 -17.417 -9.627 1.00 4.11 H new ATOM 0 HB3 ASN A 21 11.096 -17.314 -10.825 1.00 4.11 H new ATOM 0 HD21 ASN A 21 12.362 -20.324 -9.411 1.00 61.41 H new ATOM 0 HD22 ASN A 21 11.566 -19.552 -10.787 1.00 61.41 H new ATOM 331 N GLY A 22 9.397 -14.649 -10.231 1.00 4.24 N ATOM 332 CA GLY A 22 8.728 -13.590 -11.009 1.00 3.03 C ATOM 333 C GLY A 22 7.533 -14.155 -11.766 1.00 73.44 C ATOM 334 O GLY A 22 7.711 -14.763 -12.829 1.00 13.12 O ATOM 0 H GLY A 22 8.753 -15.314 -9.804 1.00 4.24 H new ATOM 0 HA2 GLY A 22 8.399 -12.794 -10.342 1.00 3.03 H new ATOM 0 HA3 GLY A 22 9.434 -13.146 -11.711 1.00 3.03 H new ATOM 338 N LYS A 23 6.318 -13.991 -11.205 1.00 33.32 N ATOM 339 CA LYS A 23 5.098 -14.638 -11.736 1.00 23.32 C ATOM 340 C LYS A 23 4.599 -13.947 -13.027 1.00 10.14 C ATOM 341 O LYS A 23 4.200 -14.628 -13.979 1.00 23.52 O ATOM 342 CB LYS A 23 3.984 -14.645 -10.646 1.00 70.42 C ATOM 343 CG LYS A 23 2.662 -15.392 -11.008 1.00 0.24 C ATOM 344 CD LYS A 23 2.745 -16.953 -11.007 1.00 60.01 C ATOM 345 CE LYS A 23 3.275 -17.567 -12.321 1.00 15.31 C ATOM 346 NZ LYS A 23 2.376 -17.301 -13.484 1.00 14.01 N ATOM 0 H LYS A 23 6.154 -13.413 -10.380 1.00 33.32 H new ATOM 0 HA LYS A 23 5.347 -15.666 -11.998 1.00 23.32 H new ATOM 0 HB2 LYS A 23 4.394 -15.095 -9.742 1.00 70.42 H new ATOM 0 HB3 LYS A 23 3.737 -13.611 -10.404 1.00 70.42 H new ATOM 0 HG2 LYS A 23 1.889 -15.087 -10.303 1.00 0.24 H new ATOM 0 HG3 LYS A 23 2.340 -15.064 -11.996 1.00 0.24 H new ATOM 0 HD2 LYS A 23 3.390 -17.269 -10.187 1.00 60.01 H new ATOM 0 HD3 LYS A 23 1.753 -17.357 -10.806 1.00 60.01 H new ATOM 0 HE2 LYS A 23 4.265 -17.164 -12.533 1.00 15.31 H new ATOM 0 HE3 LYS A 23 3.390 -18.643 -12.194 1.00 15.31 H new ATOM 0 HZ1 LYS A 23 2.425 -18.098 -14.150 1.00 14.01 H new ATOM 0 HZ2 LYS A 23 1.398 -17.190 -13.148 1.00 14.01 H new ATOM 0 HZ3 LYS A 23 2.678 -16.429 -13.964 1.00 14.01 H new ATOM 360 N THR A 24 4.627 -12.602 -13.048 1.00 71.31 N ATOM 361 CA THR A 24 4.194 -11.795 -14.212 1.00 4.53 C ATOM 362 C THR A 24 4.972 -10.459 -14.242 1.00 10.02 C ATOM 363 O THR A 24 5.813 -10.221 -15.121 1.00 31.44 O ATOM 364 CB THR A 24 2.645 -11.503 -14.174 1.00 22.14 C ATOM 365 OG1 THR A 24 1.910 -12.726 -14.038 1.00 62.14 O ATOM 366 CG2 THR A 24 2.151 -10.766 -15.434 1.00 64.25 C ATOM 0 H THR A 24 4.950 -12.040 -12.260 1.00 71.31 H new ATOM 0 HA THR A 24 4.407 -12.370 -15.113 1.00 4.53 H new ATOM 0 HB THR A 24 2.473 -10.857 -13.313 1.00 22.14 H new ATOM 0 HG1 THR A 24 0.995 -12.527 -13.749 1.00 62.14 H new ATOM 0 HG21 THR A 24 1.078 -10.590 -15.356 1.00 64.25 H new ATOM 0 HG22 THR A 24 2.670 -9.811 -15.524 1.00 64.25 H new ATOM 0 HG23 THR A 24 2.355 -11.374 -16.315 1.00 64.25 H new ATOM 374 N PHE A 25 4.679 -9.617 -13.241 1.00 43.41 N ATOM 375 CA PHE A 25 5.239 -8.266 -13.101 1.00 52.32 C ATOM 376 C PHE A 25 4.938 -7.775 -11.679 1.00 44.41 C ATOM 377 O PHE A 25 3.828 -8.004 -11.165 1.00 31.32 O ATOM 378 CB PHE A 25 4.617 -7.297 -14.161 1.00 31.44 C ATOM 379 CG PHE A 25 5.086 -5.837 -14.081 1.00 63.02 C ATOM 380 CD1 PHE A 25 6.428 -5.497 -14.282 1.00 73.22 C ATOM 381 CD2 PHE A 25 4.181 -4.801 -13.817 1.00 33.14 C ATOM 382 CE1 PHE A 25 6.844 -4.175 -14.218 1.00 20.34 C ATOM 383 CE2 PHE A 25 4.602 -3.481 -13.752 1.00 72.14 C ATOM 384 CZ PHE A 25 5.933 -3.170 -13.953 1.00 52.01 C ATOM 0 H PHE A 25 4.033 -9.861 -12.491 1.00 43.41 H new ATOM 0 HA PHE A 25 6.315 -8.288 -13.271 1.00 52.32 H new ATOM 0 HB2 PHE A 25 4.846 -7.680 -15.156 1.00 31.44 H new ATOM 0 HB3 PHE A 25 3.532 -7.318 -14.054 1.00 31.44 H new ATOM 0 HD1 PHE A 25 7.149 -6.273 -14.490 1.00 73.22 H new ATOM 0 HD2 PHE A 25 3.138 -5.034 -13.661 1.00 33.14 H new ATOM 0 HE1 PHE A 25 7.884 -3.930 -14.376 1.00 20.34 H new ATOM 0 HE2 PHE A 25 3.889 -2.696 -13.544 1.00 72.14 H new ATOM 0 HZ PHE A 25 6.261 -2.142 -13.903 1.00 52.01 H new ATOM 394 N ASP A 26 5.923 -7.121 -11.046 1.00 0.41 N ATOM 395 CA ASP A 26 5.736 -6.470 -9.741 1.00 24.41 C ATOM 396 C ASP A 26 4.819 -5.253 -9.934 1.00 50.25 C ATOM 397 O ASP A 26 5.154 -4.343 -10.698 1.00 52.21 O ATOM 398 CB ASP A 26 7.099 -6.049 -9.129 1.00 61.11 C ATOM 399 CG ASP A 26 8.035 -7.248 -8.897 1.00 73.00 C ATOM 400 OD1 ASP A 26 7.953 -7.873 -7.818 1.00 10.42 O ATOM 401 OD2 ASP A 26 8.849 -7.566 -9.799 1.00 15.20 O ATOM 0 H ASP A 26 6.867 -7.029 -11.422 1.00 0.41 H new ATOM 0 HA ASP A 26 5.276 -7.170 -9.043 1.00 24.41 H new ATOM 0 HB2 ASP A 26 7.586 -5.334 -9.792 1.00 61.11 H new ATOM 0 HB3 ASP A 26 6.926 -5.538 -8.182 1.00 61.11 H new ATOM 406 N TYR A 27 3.655 -5.275 -9.263 1.00 62.15 N ATOM 407 CA TYR A 27 2.577 -4.287 -9.453 1.00 12.44 C ATOM 408 C TYR A 27 3.039 -2.875 -9.051 1.00 1.11 C ATOM 409 O TYR A 27 3.387 -2.645 -7.897 1.00 53.13 O ATOM 410 CB TYR A 27 1.341 -4.702 -8.626 1.00 32.53 C ATOM 411 CG TYR A 27 0.785 -6.095 -8.970 1.00 35.00 C ATOM 412 CD1 TYR A 27 -0.083 -6.267 -10.049 1.00 13.22 C ATOM 413 CD2 TYR A 27 1.112 -7.227 -8.209 1.00 43.22 C ATOM 414 CE1 TYR A 27 -0.602 -7.507 -10.355 1.00 54.44 C ATOM 415 CE2 TYR A 27 0.595 -8.472 -8.520 1.00 62.52 C ATOM 416 CZ TYR A 27 -0.263 -8.606 -9.591 1.00 44.03 C ATOM 417 OH TYR A 27 -0.780 -9.843 -9.907 1.00 4.31 O ATOM 0 H TYR A 27 3.433 -5.986 -8.566 1.00 62.15 H new ATOM 0 HA TYR A 27 2.313 -4.263 -10.510 1.00 12.44 H new ATOM 0 HB2 TYR A 27 1.603 -4.680 -7.568 1.00 32.53 H new ATOM 0 HB3 TYR A 27 0.554 -3.963 -8.776 1.00 32.53 H new ATOM 0 HD1 TYR A 27 -0.353 -5.414 -10.655 1.00 13.22 H new ATOM 0 HD2 TYR A 27 1.779 -7.125 -7.366 1.00 43.22 H new ATOM 0 HE1 TYR A 27 -1.274 -7.619 -11.193 1.00 54.44 H new ATOM 0 HE2 TYR A 27 0.862 -9.334 -7.927 1.00 62.52 H new ATOM 0 HH TYR A 27 -1.396 -10.130 -9.201 1.00 4.31 H new ATOM 427 N THR A 28 3.056 -1.940 -10.011 1.00 31.54 N ATOM 428 CA THR A 28 3.569 -0.580 -9.780 1.00 65.23 C ATOM 429 C THR A 28 2.641 0.439 -10.465 1.00 41.11 C ATOM 430 O THR A 28 2.324 0.297 -11.655 1.00 2.25 O ATOM 431 CB THR A 28 5.039 -0.436 -10.310 1.00 23.32 C ATOM 432 OG1 THR A 28 5.793 -1.624 -10.008 1.00 41.32 O ATOM 433 CG2 THR A 28 5.762 0.766 -9.687 1.00 41.52 C ATOM 0 H THR A 28 2.719 -2.101 -10.960 1.00 31.54 H new ATOM 0 HA THR A 28 3.586 -0.386 -8.708 1.00 65.23 H new ATOM 0 HB THR A 28 4.973 -0.284 -11.387 1.00 23.32 H new ATOM 0 HG1 THR A 28 5.418 -2.384 -10.501 1.00 41.32 H new ATOM 0 HG21 THR A 28 6.776 0.826 -10.083 1.00 41.52 H new ATOM 0 HG22 THR A 28 5.222 1.681 -9.930 1.00 41.52 H new ATOM 0 HG23 THR A 28 5.802 0.645 -8.604 1.00 41.52 H new ATOM 441 N TYR A 29 2.179 1.437 -9.692 1.00 23.12 N ATOM 442 CA TYR A 29 1.205 2.448 -10.147 1.00 31.22 C ATOM 443 C TYR A 29 1.674 3.844 -9.707 1.00 43.42 C ATOM 444 O TYR A 29 2.434 3.973 -8.740 1.00 34.41 O ATOM 445 CB TYR A 29 -0.209 2.144 -9.561 1.00 72.34 C ATOM 446 CG TYR A 29 -0.696 0.713 -9.839 1.00 44.12 C ATOM 447 CD1 TYR A 29 -1.269 0.361 -11.067 1.00 51.33 C ATOM 448 CD2 TYR A 29 -0.546 -0.296 -8.884 1.00 54.31 C ATOM 449 CE1 TYR A 29 -1.668 -0.941 -11.321 1.00 22.12 C ATOM 450 CE2 TYR A 29 -0.950 -1.593 -9.135 1.00 54.33 C ATOM 451 CZ TYR A 29 -1.506 -1.912 -10.351 1.00 35.35 C ATOM 452 OH TYR A 29 -1.890 -3.212 -10.612 1.00 72.04 O ATOM 0 H TYR A 29 2.473 1.567 -8.724 1.00 23.12 H new ATOM 0 HA TYR A 29 1.139 2.416 -11.235 1.00 31.22 H new ATOM 0 HB2 TYR A 29 -0.190 2.309 -8.484 1.00 72.34 H new ATOM 0 HB3 TYR A 29 -0.926 2.850 -9.979 1.00 72.34 H new ATOM 0 HD1 TYR A 29 -1.402 1.116 -11.828 1.00 51.33 H new ATOM 0 HD2 TYR A 29 -0.104 -0.056 -7.928 1.00 54.31 H new ATOM 0 HE1 TYR A 29 -2.105 -1.197 -12.275 1.00 22.12 H new ATOM 0 HE2 TYR A 29 -0.829 -2.354 -8.378 1.00 54.33 H new ATOM 0 HH TYR A 29 -1.795 -3.395 -11.570 1.00 72.04 H new ATOM 462 N THR A 30 1.230 4.883 -10.427 1.00 32.32 N ATOM 463 CA THR A 30 1.504 6.283 -10.078 1.00 72.31 C ATOM 464 C THR A 30 0.181 7.060 -10.073 1.00 63.03 C ATOM 465 O THR A 30 -0.405 7.325 -11.133 1.00 13.14 O ATOM 466 CB THR A 30 2.524 6.935 -11.073 1.00 44.00 C ATOM 467 OG1 THR A 30 3.709 6.122 -11.155 1.00 33.14 O ATOM 468 CG2 THR A 30 2.916 8.361 -10.646 1.00 41.23 C ATOM 0 H THR A 30 0.668 4.775 -11.272 1.00 32.32 H new ATOM 0 HA THR A 30 1.957 6.318 -9.087 1.00 72.31 H new ATOM 0 HB THR A 30 2.038 6.997 -12.047 1.00 44.00 H new ATOM 0 HG1 THR A 30 4.227 6.214 -10.328 1.00 33.14 H new ATOM 0 HG21 THR A 30 3.624 8.774 -11.364 1.00 41.23 H new ATOM 0 HG22 THR A 30 2.025 8.989 -10.613 1.00 41.23 H new ATOM 0 HG23 THR A 30 3.376 8.331 -9.658 1.00 41.23 H new ATOM 476 N VAL A 31 -0.302 7.380 -8.870 1.00 62.20 N ATOM 477 CA VAL A 31 -1.551 8.129 -8.661 1.00 35.05 C ATOM 478 C VAL A 31 -1.221 9.452 -7.955 1.00 41.31 C ATOM 479 O VAL A 31 -0.410 9.468 -7.042 1.00 14.04 O ATOM 480 CB VAL A 31 -2.597 7.276 -7.840 1.00 4.13 C ATOM 481 CG1 VAL A 31 -3.010 6.000 -8.617 1.00 22.34 C ATOM 482 CG2 VAL A 31 -2.073 6.909 -6.431 1.00 73.31 C ATOM 0 H VAL A 31 0.167 7.125 -8.001 1.00 62.20 H new ATOM 0 HA VAL A 31 -2.013 8.345 -9.624 1.00 35.05 H new ATOM 0 HB VAL A 31 -3.480 7.902 -7.707 1.00 4.13 H new ATOM 0 HG11 VAL A 31 -3.730 5.433 -8.028 1.00 22.34 H new ATOM 0 HG12 VAL A 31 -3.461 6.283 -9.568 1.00 22.34 H new ATOM 0 HG13 VAL A 31 -2.129 5.386 -8.802 1.00 22.34 H new ATOM 0 HG21 VAL A 31 -2.826 6.323 -5.904 1.00 73.31 H new ATOM 0 HG22 VAL A 31 -1.158 6.324 -6.524 1.00 73.31 H new ATOM 0 HG23 VAL A 31 -1.866 7.821 -5.871 1.00 73.31 H new ATOM 492 N THR A 32 -1.805 10.568 -8.406 1.00 22.31 N ATOM 493 CA THR A 32 -1.539 11.890 -7.806 1.00 34.33 C ATOM 494 C THR A 32 -2.436 12.102 -6.564 1.00 44.42 C ATOM 495 O THR A 32 -2.071 12.832 -5.636 1.00 42.52 O ATOM 496 CB THR A 32 -1.712 13.050 -8.864 1.00 70.32 C ATOM 497 OG1 THR A 32 -1.243 14.307 -8.337 1.00 64.35 O ATOM 498 CG2 THR A 32 -3.165 13.221 -9.333 1.00 12.14 C ATOM 0 H THR A 32 -2.465 10.587 -9.183 1.00 22.31 H new ATOM 0 HA THR A 32 -0.500 11.919 -7.479 1.00 34.33 H new ATOM 0 HB THR A 32 -1.110 12.757 -9.724 1.00 70.32 H new ATOM 0 HG1 THR A 32 -1.360 15.008 -9.011 1.00 64.35 H new ATOM 0 HG21 THR A 32 -3.220 14.033 -10.059 1.00 12.14 H new ATOM 0 HG22 THR A 32 -3.509 12.296 -9.796 1.00 12.14 H new ATOM 0 HG23 THR A 32 -3.798 13.456 -8.477 1.00 12.14 H new ATOM 506 N THR A 33 -3.589 11.409 -6.527 1.00 21.13 N ATOM 507 CA THR A 33 -4.610 11.585 -5.482 1.00 14.42 C ATOM 508 C THR A 33 -4.810 10.275 -4.689 1.00 50.14 C ATOM 509 O THR A 33 -4.698 9.176 -5.251 1.00 11.11 O ATOM 510 CB THR A 33 -5.962 12.028 -6.135 1.00 35.53 C ATOM 511 OG1 THR A 33 -5.715 13.104 -7.052 1.00 11.11 O ATOM 512 CG2 THR A 33 -7.008 12.477 -5.103 1.00 21.23 C ATOM 0 H THR A 33 -3.838 10.708 -7.225 1.00 21.13 H new ATOM 0 HA THR A 33 -4.273 12.357 -4.790 1.00 14.42 H new ATOM 0 HB THR A 33 -6.369 11.158 -6.651 1.00 35.53 H new ATOM 0 HG1 THR A 33 -6.559 13.383 -7.464 1.00 11.11 H new ATOM 0 HG21 THR A 33 -7.923 12.772 -5.617 1.00 21.23 H new ATOM 0 HG22 THR A 33 -7.224 11.654 -4.422 1.00 21.23 H new ATOM 0 HG23 THR A 33 -6.621 13.324 -4.537 1.00 21.23 H new ATOM 520 N GLU A 34 -5.130 10.423 -3.391 1.00 63.34 N ATOM 521 CA GLU A 34 -5.399 9.304 -2.469 1.00 24.52 C ATOM 522 C GLU A 34 -6.675 8.542 -2.884 1.00 41.11 C ATOM 523 O GLU A 34 -6.770 7.330 -2.689 1.00 35.32 O ATOM 524 CB GLU A 34 -5.541 9.825 -1.005 1.00 74.54 C ATOM 525 CG GLU A 34 -4.325 10.639 -0.470 1.00 20.22 C ATOM 526 CD GLU A 34 -4.461 12.170 -0.608 1.00 51.30 C ATOM 527 OE1 GLU A 34 -4.338 12.699 -1.737 1.00 10.31 O ATOM 528 OE2 GLU A 34 -4.702 12.843 0.422 1.00 45.30 O ATOM 0 H GLU A 34 -5.210 11.337 -2.946 1.00 63.34 H new ATOM 0 HA GLU A 34 -4.555 8.617 -2.520 1.00 24.52 H new ATOM 0 HB2 GLU A 34 -6.432 10.450 -0.944 1.00 74.54 H new ATOM 0 HB3 GLU A 34 -5.705 8.972 -0.347 1.00 74.54 H new ATOM 0 HG2 GLU A 34 -4.176 10.395 0.582 1.00 20.22 H new ATOM 0 HG3 GLU A 34 -3.429 10.318 -1.001 1.00 20.22 H new ATOM 535 N SER A 35 -7.634 9.291 -3.467 1.00 33.43 N ATOM 536 CA SER A 35 -8.910 8.763 -3.988 1.00 13.43 C ATOM 537 C SER A 35 -8.695 7.631 -5.015 1.00 21.40 C ATOM 538 O SER A 35 -9.335 6.576 -4.931 1.00 54.34 O ATOM 539 CB SER A 35 -9.716 9.916 -4.623 1.00 1.03 C ATOM 540 OG SER A 35 -9.924 10.965 -3.692 1.00 34.43 O ATOM 0 H SER A 35 -7.540 10.299 -3.591 1.00 33.43 H new ATOM 0 HA SER A 35 -9.465 8.335 -3.153 1.00 13.43 H new ATOM 0 HB2 SER A 35 -9.185 10.299 -5.494 1.00 1.03 H new ATOM 0 HB3 SER A 35 -10.677 9.542 -4.975 1.00 1.03 H new ATOM 0 HG SER A 35 -10.435 11.684 -4.118 1.00 34.43 H new ATOM 546 N GLU A 36 -7.755 7.869 -5.953 1.00 55.20 N ATOM 547 CA GLU A 36 -7.373 6.904 -7.000 1.00 31.04 C ATOM 548 C GLU A 36 -6.829 5.612 -6.363 1.00 51.41 C ATOM 549 O GLU A 36 -7.203 4.506 -6.752 1.00 63.31 O ATOM 550 CB GLU A 36 -6.299 7.516 -7.931 1.00 21.25 C ATOM 551 CG GLU A 36 -6.701 8.831 -8.618 1.00 33.22 C ATOM 552 CD GLU A 36 -5.567 9.395 -9.491 1.00 64.33 C ATOM 553 OE1 GLU A 36 -5.459 9.005 -10.670 1.00 30.24 O ATOM 554 OE2 GLU A 36 -4.766 10.211 -8.998 1.00 3.25 O ATOM 0 H GLU A 36 -7.236 8.746 -6.004 1.00 55.20 H new ATOM 0 HA GLU A 36 -8.260 6.667 -7.588 1.00 31.04 H new ATOM 0 HB2 GLU A 36 -5.394 7.690 -7.349 1.00 21.25 H new ATOM 0 HB3 GLU A 36 -6.048 6.785 -8.700 1.00 21.25 H new ATOM 0 HG2 GLU A 36 -7.584 8.663 -9.235 1.00 33.22 H new ATOM 0 HG3 GLU A 36 -6.976 9.566 -7.862 1.00 33.22 H new ATOM 561 N LEU A 37 -5.978 5.795 -5.343 1.00 31.31 N ATOM 562 CA LEU A 37 -5.326 4.697 -4.617 1.00 63.11 C ATOM 563 C LEU A 37 -6.339 3.813 -3.869 1.00 14.45 C ATOM 564 O LEU A 37 -6.145 2.597 -3.784 1.00 32.23 O ATOM 565 CB LEU A 37 -4.270 5.275 -3.643 1.00 62.25 C ATOM 566 CG LEU A 37 -3.657 4.255 -2.606 1.00 41.43 C ATOM 567 CD1 LEU A 37 -2.118 4.298 -2.597 1.00 3.24 C ATOM 568 CD2 LEU A 37 -4.250 4.472 -1.180 1.00 70.32 C ATOM 0 H LEU A 37 -5.721 6.719 -4.996 1.00 31.31 H new ATOM 0 HA LEU A 37 -4.832 4.055 -5.347 1.00 63.11 H new ATOM 0 HB2 LEU A 37 -3.456 5.699 -4.231 1.00 62.25 H new ATOM 0 HB3 LEU A 37 -4.725 6.096 -3.090 1.00 62.25 H new ATOM 0 HG LEU A 37 -3.941 3.254 -2.930 1.00 41.43 H new ATOM 0 HD11 LEU A 37 -1.738 3.581 -1.869 1.00 3.24 H new ATOM 0 HD12 LEU A 37 -1.741 4.044 -3.588 1.00 3.24 H new ATOM 0 HD13 LEU A 37 -1.784 5.300 -2.327 1.00 3.24 H new ATOM 0 HD21 LEU A 37 -3.808 3.754 -0.489 1.00 70.32 H new ATOM 0 HD22 LEU A 37 -4.027 5.484 -0.843 1.00 70.32 H new ATOM 0 HD23 LEU A 37 -5.330 4.329 -1.210 1.00 70.32 H new ATOM 580 N GLN A 38 -7.416 4.428 -3.337 1.00 4.20 N ATOM 581 CA GLN A 38 -8.469 3.696 -2.592 1.00 4.43 C ATOM 582 C GLN A 38 -9.186 2.665 -3.496 1.00 24.21 C ATOM 583 O GLN A 38 -9.709 1.654 -3.011 1.00 64.33 O ATOM 584 CB GLN A 38 -9.488 4.689 -1.967 1.00 73.44 C ATOM 585 CG GLN A 38 -8.892 5.645 -0.897 1.00 63.34 C ATOM 586 CD GLN A 38 -8.490 4.970 0.434 1.00 61.12 C ATOM 587 OE1 GLN A 38 -8.148 3.787 0.488 1.00 0.11 O ATOM 588 NE2 GLN A 38 -8.486 5.736 1.518 1.00 74.25 N ATOM 0 H GLN A 38 -7.582 5.432 -3.408 1.00 4.20 H new ATOM 0 HA GLN A 38 -7.986 3.146 -1.784 1.00 4.43 H new ATOM 0 HB2 GLN A 38 -9.927 5.288 -2.765 1.00 73.44 H new ATOM 0 HB3 GLN A 38 -10.299 4.119 -1.514 1.00 73.44 H new ATOM 0 HG2 GLN A 38 -8.014 6.134 -1.318 1.00 63.34 H new ATOM 0 HG3 GLN A 38 -9.621 6.427 -0.684 1.00 63.34 H new ATOM 0 HE21 GLN A 38 -8.772 6.713 1.453 1.00 74.25 H new ATOM 0 HE22 GLN A 38 -8.196 5.348 2.416 1.00 74.25 H new ATOM 597 N LYS A 39 -9.209 2.945 -4.815 1.00 20.32 N ATOM 598 CA LYS A 39 -9.648 1.977 -5.830 1.00 31.35 C ATOM 599 C LYS A 39 -8.528 0.941 -6.062 1.00 63.23 C ATOM 600 O LYS A 39 -8.758 -0.265 -5.901 1.00 20.44 O ATOM 601 CB LYS A 39 -10.020 2.681 -7.174 1.00 74.31 C ATOM 602 CG LYS A 39 -11.396 3.406 -7.251 1.00 10.11 C ATOM 603 CD LYS A 39 -11.565 4.646 -6.324 1.00 74.32 C ATOM 604 CE LYS A 39 -12.214 4.322 -4.964 1.00 13.22 C ATOM 605 NZ LYS A 39 -13.582 3.747 -5.113 1.00 51.11 N ATOM 0 H LYS A 39 -8.924 3.845 -5.201 1.00 20.32 H new ATOM 0 HA LYS A 39 -10.545 1.477 -5.465 1.00 31.35 H new ATOM 0 HB2 LYS A 39 -9.242 3.411 -7.397 1.00 74.31 H new ATOM 0 HB3 LYS A 39 -9.990 1.932 -7.965 1.00 74.31 H new ATOM 0 HG2 LYS A 39 -11.561 3.722 -8.281 1.00 10.11 H new ATOM 0 HG3 LYS A 39 -12.178 2.686 -7.009 1.00 10.11 H new ATOM 0 HD2 LYS A 39 -10.587 5.095 -6.152 1.00 74.32 H new ATOM 0 HD3 LYS A 39 -12.172 5.392 -6.837 1.00 74.32 H new ATOM 0 HE2 LYS A 39 -11.583 3.618 -4.421 1.00 13.22 H new ATOM 0 HE3 LYS A 39 -12.267 5.230 -4.364 1.00 13.22 H new ATOM 0 HZ1 LYS A 39 -14.116 3.888 -4.232 1.00 51.11 H new ATOM 0 HZ2 LYS A 39 -14.075 4.222 -5.896 1.00 51.11 H new ATOM 0 HZ3 LYS A 39 -13.511 2.729 -5.315 1.00 51.11 H new ATOM 619 N VAL A 40 -7.305 1.453 -6.378 1.00 24.22 N ATOM 620 CA VAL A 40 -6.133 0.642 -6.773 1.00 24.43 C ATOM 621 C VAL A 40 -5.880 -0.520 -5.791 1.00 72.12 C ATOM 622 O VAL A 40 -5.959 -1.665 -6.193 1.00 24.05 O ATOM 623 CB VAL A 40 -4.827 1.531 -6.923 1.00 61.45 C ATOM 624 CG1 VAL A 40 -3.550 0.668 -7.090 1.00 41.13 C ATOM 625 CG2 VAL A 40 -4.958 2.523 -8.109 1.00 21.33 C ATOM 0 H VAL A 40 -7.111 2.454 -6.363 1.00 24.22 H new ATOM 0 HA VAL A 40 -6.367 0.214 -7.748 1.00 24.43 H new ATOM 0 HB VAL A 40 -4.727 2.099 -5.998 1.00 61.45 H new ATOM 0 HG11 VAL A 40 -2.681 1.319 -7.189 1.00 41.13 H new ATOM 0 HG12 VAL A 40 -3.426 0.028 -6.216 1.00 41.13 H new ATOM 0 HG13 VAL A 40 -3.643 0.049 -7.982 1.00 41.13 H new ATOM 0 HG21 VAL A 40 -4.048 3.119 -8.187 1.00 21.33 H new ATOM 0 HG22 VAL A 40 -5.108 1.966 -9.034 1.00 21.33 H new ATOM 0 HG23 VAL A 40 -5.810 3.182 -7.940 1.00 21.33 H new ATOM 635 N LEU A 41 -5.649 -0.202 -4.506 1.00 12.54 N ATOM 636 CA LEU A 41 -5.251 -1.192 -3.478 1.00 44.55 C ATOM 637 C LEU A 41 -6.344 -2.241 -3.182 1.00 73.44 C ATOM 638 O LEU A 41 -6.021 -3.407 -2.928 1.00 35.41 O ATOM 639 CB LEU A 41 -4.837 -0.472 -2.169 1.00 62.25 C ATOM 640 CG LEU A 41 -3.510 0.345 -2.229 1.00 0.01 C ATOM 641 CD1 LEU A 41 -3.218 0.986 -0.865 1.00 3.40 C ATOM 642 CD2 LEU A 41 -2.320 -0.530 -2.685 1.00 10.11 C ATOM 0 H LEU A 41 -5.732 0.749 -4.145 1.00 12.54 H new ATOM 0 HA LEU A 41 -4.400 -1.735 -3.889 1.00 44.55 H new ATOM 0 HB2 LEU A 41 -5.643 0.202 -1.878 1.00 62.25 H new ATOM 0 HB3 LEU A 41 -4.745 -1.219 -1.380 1.00 62.25 H new ATOM 0 HG LEU A 41 -3.638 1.134 -2.970 1.00 0.01 H new ATOM 0 HD11 LEU A 41 -2.289 1.553 -0.921 1.00 3.40 H new ATOM 0 HD12 LEU A 41 -4.036 1.654 -0.595 1.00 3.40 H new ATOM 0 HD13 LEU A 41 -3.122 0.206 -0.110 1.00 3.40 H new ATOM 0 HD21 LEU A 41 -1.414 0.075 -2.714 1.00 10.11 H new ATOM 0 HD22 LEU A 41 -2.184 -1.353 -1.984 1.00 10.11 H new ATOM 0 HD23 LEU A 41 -2.522 -0.929 -3.679 1.00 10.11 H new ATOM 654 N ASN A 42 -7.626 -1.829 -3.223 1.00 44.52 N ATOM 655 CA ASN A 42 -8.754 -2.716 -2.841 1.00 75.22 C ATOM 656 C ASN A 42 -8.990 -3.798 -3.914 1.00 31.13 C ATOM 657 O ASN A 42 -9.345 -4.933 -3.589 1.00 31.04 O ATOM 658 CB ASN A 42 -10.057 -1.907 -2.583 1.00 0.12 C ATOM 659 CG ASN A 42 -11.194 -2.755 -1.967 1.00 64.14 C ATOM 660 OD1 ASN A 42 -10.954 -3.709 -1.216 1.00 31.33 O ATOM 661 ND2 ASN A 42 -12.434 -2.416 -2.271 1.00 12.21 N ATOM 0 H ASN A 42 -7.910 -0.894 -3.514 1.00 44.52 H new ATOM 0 HA ASN A 42 -8.480 -3.209 -1.908 1.00 75.22 H new ATOM 0 HB2 ASN A 42 -9.833 -1.074 -1.917 1.00 0.12 H new ATOM 0 HB3 ASN A 42 -10.402 -1.478 -3.524 1.00 0.12 H new ATOM 0 HD21 ASN A 42 -13.216 -2.944 -1.885 1.00 12.21 H new ATOM 0 HD22 ASN A 42 -12.609 -1.626 -2.892 1.00 12.21 H new ATOM 668 N GLU A 43 -8.783 -3.441 -5.193 1.00 35.45 N ATOM 669 CA GLU A 43 -8.879 -4.405 -6.308 1.00 72.21 C ATOM 670 C GLU A 43 -7.549 -5.173 -6.468 1.00 1.10 C ATOM 671 O GLU A 43 -7.553 -6.354 -6.820 1.00 72.24 O ATOM 672 CB GLU A 43 -9.297 -3.686 -7.627 1.00 55.54 C ATOM 673 CG GLU A 43 -8.297 -2.631 -8.154 1.00 75.32 C ATOM 674 CD GLU A 43 -8.890 -1.713 -9.239 1.00 5.42 C ATOM 675 OE1 GLU A 43 -9.546 -0.708 -8.886 1.00 4.25 O ATOM 676 OE2 GLU A 43 -8.712 -1.993 -10.445 1.00 15.32 O ATOM 0 H GLU A 43 -8.548 -2.492 -5.483 1.00 35.45 H new ATOM 0 HA GLU A 43 -9.657 -5.133 -6.078 1.00 72.21 H new ATOM 0 HB2 GLU A 43 -9.445 -4.440 -8.400 1.00 55.54 H new ATOM 0 HB3 GLU A 43 -10.260 -3.201 -7.467 1.00 55.54 H new ATOM 0 HG2 GLU A 43 -7.953 -2.020 -7.320 1.00 75.32 H new ATOM 0 HG3 GLU A 43 -7.422 -3.141 -8.558 1.00 75.32 H new ATOM 683 N LEU A 44 -6.429 -4.499 -6.133 1.00 71.14 N ATOM 684 CA LEU A 44 -5.054 -5.059 -6.206 1.00 20.21 C ATOM 685 C LEU A 44 -4.866 -6.186 -5.178 1.00 13.10 C ATOM 686 O LEU A 44 -4.044 -7.081 -5.369 1.00 3.44 O ATOM 687 CB LEU A 44 -4.023 -3.934 -5.949 1.00 1.53 C ATOM 688 CG LEU A 44 -2.523 -4.304 -6.110 1.00 64.31 C ATOM 689 CD1 LEU A 44 -2.228 -4.842 -7.520 1.00 13.23 C ATOM 690 CD2 LEU A 44 -1.629 -3.095 -5.764 1.00 72.34 C ATOM 0 H LEU A 44 -6.450 -3.536 -5.799 1.00 71.14 H new ATOM 0 HA LEU A 44 -4.900 -5.476 -7.201 1.00 20.21 H new ATOM 0 HB2 LEU A 44 -4.244 -3.110 -6.628 1.00 1.53 H new ATOM 0 HB3 LEU A 44 -4.173 -3.561 -4.936 1.00 1.53 H new ATOM 0 HG LEU A 44 -2.291 -5.105 -5.408 1.00 64.31 H new ATOM 0 HD11 LEU A 44 -1.170 -5.092 -7.600 1.00 13.23 H new ATOM 0 HD12 LEU A 44 -2.826 -5.735 -7.701 1.00 13.23 H new ATOM 0 HD13 LEU A 44 -2.478 -4.081 -8.259 1.00 13.23 H new ATOM 0 HD21 LEU A 44 -0.581 -3.372 -5.882 1.00 72.34 H new ATOM 0 HD22 LEU A 44 -1.863 -2.266 -6.432 1.00 72.34 H new ATOM 0 HD23 LEU A 44 -1.810 -2.792 -4.733 1.00 72.34 H new ATOM 702 N LYS A 45 -5.638 -6.093 -4.086 1.00 11.41 N ATOM 703 CA LYS A 45 -5.803 -7.148 -3.069 1.00 34.20 C ATOM 704 C LYS A 45 -6.050 -8.518 -3.726 1.00 54.22 C ATOM 705 O LYS A 45 -5.399 -9.510 -3.396 1.00 32.43 O ATOM 706 CB LYS A 45 -7.013 -6.743 -2.196 1.00 20.50 C ATOM 707 CG LYS A 45 -7.416 -7.717 -1.069 1.00 62.33 C ATOM 708 CD LYS A 45 -8.754 -7.295 -0.413 1.00 15.21 C ATOM 709 CE LYS A 45 -9.922 -7.304 -1.419 1.00 45.31 C ATOM 710 NZ LYS A 45 -11.147 -6.657 -0.884 1.00 31.45 N ATOM 0 H LYS A 45 -6.183 -5.256 -3.877 1.00 11.41 H new ATOM 0 HA LYS A 45 -4.898 -7.243 -2.468 1.00 34.20 H new ATOM 0 HB2 LYS A 45 -6.798 -5.774 -1.746 1.00 20.50 H new ATOM 0 HB3 LYS A 45 -7.874 -6.607 -2.851 1.00 20.50 H new ATOM 0 HG2 LYS A 45 -7.508 -8.725 -1.473 1.00 62.33 H new ATOM 0 HG3 LYS A 45 -6.631 -7.747 -0.313 1.00 62.33 H new ATOM 0 HD2 LYS A 45 -8.982 -7.970 0.412 1.00 15.21 H new ATOM 0 HD3 LYS A 45 -8.650 -6.297 0.012 1.00 15.21 H new ATOM 0 HE2 LYS A 45 -9.614 -6.792 -2.331 1.00 45.31 H new ATOM 0 HE3 LYS A 45 -10.151 -8.334 -1.694 1.00 45.31 H new ATOM 0 HZ1 LYS A 45 -11.980 -7.014 -1.395 1.00 31.45 H new ATOM 0 HZ2 LYS A 45 -11.242 -6.877 0.128 1.00 31.45 H new ATOM 0 HZ3 LYS A 45 -11.079 -5.627 -1.010 1.00 31.45 H new ATOM 724 N ASP A 46 -6.962 -8.513 -4.706 1.00 21.32 N ATOM 725 CA ASP A 46 -7.383 -9.711 -5.435 1.00 24.01 C ATOM 726 C ASP A 46 -6.323 -10.144 -6.468 1.00 13.50 C ATOM 727 O ASP A 46 -6.196 -11.330 -6.753 1.00 24.45 O ATOM 728 CB ASP A 46 -8.726 -9.434 -6.142 1.00 24.42 C ATOM 729 CG ASP A 46 -9.813 -8.925 -5.177 1.00 21.11 C ATOM 730 OD1 ASP A 46 -10.424 -9.751 -4.468 1.00 13.34 O ATOM 731 OD2 ASP A 46 -10.057 -7.697 -5.122 1.00 65.31 O ATOM 0 H ASP A 46 -7.433 -7.664 -5.018 1.00 21.32 H new ATOM 0 HA ASP A 46 -7.501 -10.525 -4.720 1.00 24.01 H new ATOM 0 HB2 ASP A 46 -8.572 -8.697 -6.930 1.00 24.42 H new ATOM 0 HB3 ASP A 46 -9.073 -10.348 -6.624 1.00 24.42 H new ATOM 736 N TYR A 47 -5.583 -9.160 -7.035 1.00 32.21 N ATOM 737 CA TYR A 47 -4.487 -9.418 -8.012 1.00 20.13 C ATOM 738 C TYR A 47 -3.316 -10.171 -7.352 1.00 65.13 C ATOM 739 O TYR A 47 -2.764 -11.099 -7.943 1.00 54.24 O ATOM 740 CB TYR A 47 -3.964 -8.087 -8.642 1.00 43.23 C ATOM 741 CG TYR A 47 -4.860 -7.477 -9.731 1.00 10.51 C ATOM 742 CD1 TYR A 47 -6.138 -7.011 -9.440 1.00 33.44 C ATOM 743 CD2 TYR A 47 -4.417 -7.361 -11.052 1.00 52.22 C ATOM 744 CE1 TYR A 47 -6.946 -6.453 -10.412 1.00 23.40 C ATOM 745 CE2 TYR A 47 -5.217 -6.800 -12.027 1.00 32.14 C ATOM 746 CZ TYR A 47 -6.480 -6.350 -11.706 1.00 64.24 C ATOM 747 OH TYR A 47 -7.278 -5.786 -12.684 1.00 42.23 O ATOM 0 H TYR A 47 -5.725 -8.170 -6.832 1.00 32.21 H new ATOM 0 HA TYR A 47 -4.905 -10.041 -8.803 1.00 20.13 H new ATOM 0 HB2 TYR A 47 -3.838 -7.353 -7.846 1.00 43.23 H new ATOM 0 HB3 TYR A 47 -2.977 -8.269 -9.067 1.00 43.23 H new ATOM 0 HD1 TYR A 47 -6.508 -7.087 -8.428 1.00 33.44 H new ATOM 0 HD2 TYR A 47 -3.432 -7.717 -11.314 1.00 52.22 H new ATOM 0 HE1 TYR A 47 -7.935 -6.100 -10.160 1.00 23.40 H new ATOM 0 HE2 TYR A 47 -4.854 -6.714 -13.040 1.00 32.14 H new ATOM 0 HH TYR A 47 -6.799 -5.789 -13.539 1.00 42.23 H new ATOM 757 N ILE A 48 -2.959 -9.746 -6.125 1.00 51.21 N ATOM 758 CA ILE A 48 -1.862 -10.345 -5.332 1.00 63.32 C ATOM 759 C ILE A 48 -2.315 -11.713 -4.762 1.00 13.20 C ATOM 760 O ILE A 48 -1.514 -12.649 -4.655 1.00 54.32 O ATOM 761 CB ILE A 48 -1.398 -9.359 -4.175 1.00 2.01 C ATOM 762 CG1 ILE A 48 -0.929 -7.996 -4.789 1.00 33.53 C ATOM 763 CG2 ILE A 48 -0.282 -9.980 -3.287 1.00 11.24 C ATOM 764 CD1 ILE A 48 -0.550 -6.922 -3.774 1.00 35.54 C ATOM 0 H ILE A 48 -3.425 -8.973 -5.651 1.00 51.21 H new ATOM 0 HA ILE A 48 -1.002 -10.510 -5.981 1.00 63.32 H new ATOM 0 HB ILE A 48 -2.255 -9.182 -3.526 1.00 2.01 H new ATOM 0 HG12 ILE A 48 -0.070 -8.183 -5.434 1.00 33.53 H new ATOM 0 HG13 ILE A 48 -1.726 -7.608 -5.424 1.00 33.53 H new ATOM 0 HG21 ILE A 48 0.003 -9.270 -2.511 1.00 11.24 H new ATOM 0 HG22 ILE A 48 -0.652 -10.895 -2.824 1.00 11.24 H new ATOM 0 HG23 ILE A 48 0.587 -10.211 -3.903 1.00 11.24 H new ATOM 0 HD11 ILE A 48 -0.240 -6.019 -4.299 1.00 35.54 H new ATOM 0 HD12 ILE A 48 -1.410 -6.698 -3.143 1.00 35.54 H new ATOM 0 HD13 ILE A 48 0.271 -7.281 -3.154 1.00 35.54 H new ATOM 776 N LYS A 49 -3.627 -11.816 -4.444 1.00 45.04 N ATOM 777 CA LYS A 49 -4.270 -13.074 -3.997 1.00 21.41 C ATOM 778 C LYS A 49 -4.312 -14.105 -5.148 1.00 24.42 C ATOM 779 O LYS A 49 -4.195 -15.314 -4.924 1.00 34.31 O ATOM 780 CB LYS A 49 -5.707 -12.781 -3.488 1.00 42.13 C ATOM 781 CG LYS A 49 -6.372 -13.939 -2.715 1.00 3.52 C ATOM 782 CD LYS A 49 -7.805 -13.597 -2.234 1.00 44.34 C ATOM 783 CE LYS A 49 -8.361 -14.626 -1.232 1.00 23.31 C ATOM 784 NZ LYS A 49 -8.339 -16.019 -1.759 1.00 64.33 N ATOM 0 H LYS A 49 -4.271 -11.026 -4.490 1.00 45.04 H new ATOM 0 HA LYS A 49 -3.681 -13.495 -3.182 1.00 21.41 H new ATOM 0 HB2 LYS A 49 -5.676 -11.903 -2.842 1.00 42.13 H new ATOM 0 HB3 LYS A 49 -6.334 -12.526 -4.342 1.00 42.13 H new ATOM 0 HG2 LYS A 49 -6.409 -14.822 -3.354 1.00 3.52 H new ATOM 0 HG3 LYS A 49 -5.756 -14.195 -1.853 1.00 3.52 H new ATOM 0 HD2 LYS A 49 -7.802 -12.611 -1.770 1.00 44.34 H new ATOM 0 HD3 LYS A 49 -8.469 -13.541 -3.097 1.00 44.34 H new ATOM 0 HE2 LYS A 49 -7.778 -14.582 -0.312 1.00 23.31 H new ATOM 0 HE3 LYS A 49 -9.385 -14.357 -0.973 1.00 23.31 H new ATOM 0 HZ1 LYS A 49 -8.786 -16.658 -1.071 1.00 64.33 H new ATOM 0 HZ2 LYS A 49 -8.861 -16.058 -2.658 1.00 64.33 H new ATOM 0 HZ3 LYS A 49 -7.355 -16.315 -1.917 1.00 64.33 H new ATOM 798 N LYS A 50 -4.485 -13.586 -6.374 1.00 2.41 N ATOM 799 CA LYS A 50 -4.543 -14.391 -7.606 1.00 61.04 C ATOM 800 C LYS A 50 -3.147 -14.907 -7.972 1.00 12.03 C ATOM 801 O LYS A 50 -2.971 -16.101 -8.262 1.00 3.53 O ATOM 802 CB LYS A 50 -5.127 -13.525 -8.762 1.00 53.12 C ATOM 803 CG LYS A 50 -5.293 -14.254 -10.119 1.00 71.22 C ATOM 804 CD LYS A 50 -5.984 -13.385 -11.196 1.00 31.41 C ATOM 805 CE LYS A 50 -7.437 -13.012 -10.846 1.00 23.11 C ATOM 806 NZ LYS A 50 -8.309 -14.207 -10.669 1.00 4.53 N ATOM 0 H LYS A 50 -4.590 -12.585 -6.540 1.00 2.41 H new ATOM 0 HA LYS A 50 -5.190 -15.253 -7.444 1.00 61.04 H new ATOM 0 HB2 LYS A 50 -6.100 -13.144 -8.452 1.00 53.12 H new ATOM 0 HB3 LYS A 50 -4.479 -12.661 -8.910 1.00 53.12 H new ATOM 0 HG2 LYS A 50 -4.312 -14.560 -10.482 1.00 71.22 H new ATOM 0 HG3 LYS A 50 -5.874 -15.163 -9.967 1.00 71.22 H new ATOM 0 HD2 LYS A 50 -5.407 -12.471 -11.339 1.00 31.41 H new ATOM 0 HD3 LYS A 50 -5.973 -13.921 -12.145 1.00 31.41 H new ATOM 0 HE2 LYS A 50 -7.446 -12.422 -9.930 1.00 23.11 H new ATOM 0 HE3 LYS A 50 -7.847 -12.382 -11.635 1.00 23.11 H new ATOM 0 HZ1 LYS A 50 -9.294 -13.901 -10.536 1.00 4.53 H new ATOM 0 HZ2 LYS A 50 -8.245 -14.811 -11.513 1.00 4.53 H new ATOM 0 HZ3 LYS A 50 -7.997 -14.744 -9.834 1.00 4.53 H new ATOM 820 N GLN A 51 -2.162 -13.997 -7.926 1.00 11.30 N ATOM 821 CA GLN A 51 -0.779 -14.293 -8.316 1.00 63.34 C ATOM 822 C GLN A 51 0.202 -13.301 -7.658 1.00 15.43 C ATOM 823 O GLN A 51 -0.054 -12.095 -7.597 1.00 10.34 O ATOM 824 CB GLN A 51 -0.637 -14.288 -9.861 1.00 2.12 C ATOM 825 CG GLN A 51 -1.120 -13.007 -10.577 1.00 0.22 C ATOM 826 CD GLN A 51 -0.867 -13.000 -12.095 1.00 63.12 C ATOM 827 OE1 GLN A 51 -0.644 -11.942 -12.694 1.00 4.03 O ATOM 828 NE2 GLN A 51 -0.919 -14.165 -12.741 1.00 4.13 N ATOM 0 H GLN A 51 -2.304 -13.035 -7.617 1.00 11.30 H new ATOM 0 HA GLN A 51 -0.526 -15.291 -7.959 1.00 63.34 H new ATOM 0 HB2 GLN A 51 0.412 -14.448 -10.111 1.00 2.12 H new ATOM 0 HB3 GLN A 51 -1.193 -15.136 -10.261 1.00 2.12 H new ATOM 0 HG2 GLN A 51 -2.188 -12.884 -10.397 1.00 0.22 H new ATOM 0 HG3 GLN A 51 -0.621 -12.146 -10.133 1.00 0.22 H new ATOM 0 HE21 GLN A 51 -1.104 -15.026 -12.226 1.00 4.13 H new ATOM 0 HE22 GLN A 51 -0.773 -14.196 -13.750 1.00 4.13 H new ATOM 837 N GLY A 52 1.326 -13.850 -7.177 1.00 13.11 N ATOM 838 CA GLY A 52 2.370 -13.091 -6.488 1.00 40.11 C ATOM 839 C GLY A 52 3.249 -14.039 -5.688 1.00 74.42 C ATOM 840 O GLY A 52 3.713 -15.041 -6.240 1.00 1.11 O ATOM 0 H GLY A 52 1.535 -14.845 -7.258 1.00 13.11 H new ATOM 0 HA2 GLY A 52 2.974 -12.544 -7.212 1.00 40.11 H new ATOM 0 HA3 GLY A 52 1.919 -12.352 -5.826 1.00 40.11 H new ATOM 844 N CYS A 53 3.465 -13.746 -4.395 1.00 14.44 N ATOM 845 CA CYS A 53 4.105 -14.695 -3.457 1.00 43.12 C ATOM 846 C CYS A 53 3.660 -14.394 -2.013 1.00 23.43 C ATOM 847 O CYS A 53 3.020 -13.365 -1.756 1.00 30.45 O ATOM 848 CB CYS A 53 5.652 -14.672 -3.573 1.00 62.43 C ATOM 849 SG CYS A 53 6.449 -16.010 -2.601 1.00 34.13 S ATOM 0 H CYS A 53 3.206 -12.856 -3.970 1.00 14.44 H new ATOM 0 HA CYS A 53 3.780 -15.700 -3.727 1.00 43.12 H new ATOM 0 HB2 CYS A 53 5.936 -14.770 -4.621 1.00 62.43 H new ATOM 0 HB3 CYS A 53 6.025 -13.707 -3.230 1.00 62.43 H new ATOM 854 N LYS A 54 3.999 -15.320 -1.091 1.00 21.31 N ATOM 855 CA LYS A 54 3.683 -15.221 0.351 1.00 15.20 C ATOM 856 C LYS A 54 4.335 -13.968 0.986 1.00 62.53 C ATOM 857 O LYS A 54 3.758 -13.344 1.886 1.00 64.23 O ATOM 858 CB LYS A 54 4.167 -16.527 1.061 1.00 14.42 C ATOM 859 CG LYS A 54 3.819 -16.650 2.565 1.00 40.22 C ATOM 860 CD LYS A 54 2.298 -16.510 2.839 1.00 72.23 C ATOM 861 CE LYS A 54 1.920 -16.859 4.287 1.00 14.42 C ATOM 862 NZ LYS A 54 2.089 -18.312 4.561 1.00 4.14 N ATOM 0 H LYS A 54 4.508 -16.171 -1.331 1.00 21.31 H new ATOM 0 HA LYS A 54 2.606 -15.115 0.477 1.00 15.20 H new ATOM 0 HB2 LYS A 54 3.738 -17.382 0.538 1.00 14.42 H new ATOM 0 HB3 LYS A 54 5.249 -16.597 0.952 1.00 14.42 H new ATOM 0 HG2 LYS A 54 4.164 -17.615 2.936 1.00 40.22 H new ATOM 0 HG3 LYS A 54 4.357 -15.883 3.123 1.00 40.22 H new ATOM 0 HD2 LYS A 54 1.987 -15.488 2.623 1.00 72.23 H new ATOM 0 HD3 LYS A 54 1.749 -17.161 2.158 1.00 72.23 H new ATOM 0 HE2 LYS A 54 2.540 -16.284 4.974 1.00 14.42 H new ATOM 0 HE3 LYS A 54 0.885 -16.571 4.473 1.00 14.42 H new ATOM 0 HZ1 LYS A 54 1.669 -18.542 5.484 1.00 4.14 H new ATOM 0 HZ2 LYS A 54 1.614 -18.863 3.817 1.00 4.14 H new ATOM 0 HZ3 LYS A 54 3.102 -18.547 4.573 1.00 4.14 H new ATOM 876 N ARG A 55 5.533 -13.614 0.496 1.00 3.25 N ATOM 877 CA ARG A 55 6.277 -12.428 0.955 1.00 5.43 C ATOM 878 C ARG A 55 5.993 -11.278 -0.052 1.00 42.25 C ATOM 879 O ARG A 55 6.349 -11.384 -1.235 1.00 13.33 O ATOM 880 CB ARG A 55 7.802 -12.806 1.015 1.00 4.35 C ATOM 881 CG ARG A 55 8.691 -12.026 2.018 1.00 43.53 C ATOM 882 CD ARG A 55 8.871 -10.553 1.668 1.00 71.51 C ATOM 883 NE ARG A 55 9.439 -10.357 0.324 1.00 51.22 N ATOM 884 CZ ARG A 55 9.417 -9.201 -0.362 1.00 43.31 C ATOM 885 NH1 ARG A 55 8.853 -8.116 0.158 1.00 65.43 N ATOM 886 NH2 ARG A 55 9.990 -9.121 -1.553 1.00 10.34 N ATOM 0 H ARG A 55 6.015 -14.142 -0.231 1.00 3.25 H new ATOM 0 HA ARG A 55 5.973 -12.098 1.948 1.00 5.43 H new ATOM 0 HB2 ARG A 55 7.877 -13.867 1.253 1.00 4.35 H new ATOM 0 HB3 ARG A 55 8.222 -12.672 0.018 1.00 4.35 H new ATOM 0 HG2 ARG A 55 8.252 -12.102 3.013 1.00 43.53 H new ATOM 0 HG3 ARG A 55 9.671 -12.501 2.065 1.00 43.53 H new ATOM 0 HD2 ARG A 55 7.907 -10.048 1.728 1.00 71.51 H new ATOM 0 HD3 ARG A 55 9.522 -10.085 2.406 1.00 71.51 H new ATOM 0 HE ARG A 55 9.883 -11.160 -0.121 1.00 51.22 H new ATOM 0 HH11 ARG A 55 8.431 -8.155 1.086 1.00 65.43 H new ATOM 0 HH12 ARG A 55 8.842 -7.244 -0.371 1.00 65.43 H new ATOM 0 HH21 ARG A 55 10.450 -9.938 -1.953 1.00 10.34 H new ATOM 0 HH22 ARG A 55 9.971 -8.242 -2.070 1.00 10.34 H new ATOM 900 N SER A 56 5.363 -10.185 0.433 1.00 2.10 N ATOM 901 CA SER A 56 4.948 -9.037 -0.407 1.00 32.52 C ATOM 902 C SER A 56 5.180 -7.696 0.324 1.00 22.05 C ATOM 903 O SER A 56 4.766 -7.534 1.472 1.00 24.24 O ATOM 904 CB SER A 56 3.460 -9.187 -0.818 1.00 54.20 C ATOM 905 OG SER A 56 2.606 -9.331 0.311 1.00 62.01 O ATOM 0 H SER A 56 5.127 -10.073 1.419 1.00 2.10 H new ATOM 0 HA SER A 56 5.563 -9.033 -1.307 1.00 32.52 H new ATOM 0 HB2 SER A 56 3.154 -8.314 -1.395 1.00 54.20 H new ATOM 0 HB3 SER A 56 3.350 -10.054 -1.469 1.00 54.20 H new ATOM 0 HG SER A 56 2.940 -8.777 1.047 1.00 62.01 H new ATOM 911 N ARG A 57 5.808 -6.740 -0.373 1.00 55.25 N ATOM 912 CA ARG A 57 6.144 -5.398 0.156 1.00 63.02 C ATOM 913 C ARG A 57 5.338 -4.331 -0.598 1.00 4.33 C ATOM 914 O ARG A 57 4.986 -4.547 -1.757 1.00 11.42 O ATOM 915 CB ARG A 57 7.662 -5.157 -0.049 1.00 61.34 C ATOM 916 CG ARG A 57 8.217 -3.824 0.492 1.00 44.04 C ATOM 917 CD ARG A 57 9.734 -3.684 0.244 1.00 60.20 C ATOM 918 NE ARG A 57 10.092 -3.764 -1.193 1.00 33.00 N ATOM 919 CZ ARG A 57 10.049 -2.737 -2.062 1.00 14.15 C ATOM 920 NH1 ARG A 57 9.670 -1.525 -1.678 1.00 65.30 N ATOM 921 NH2 ARG A 57 10.425 -2.921 -3.321 1.00 62.04 N ATOM 0 H ARG A 57 6.105 -6.874 -1.340 1.00 55.25 H new ATOM 0 HA ARG A 57 5.898 -5.338 1.216 1.00 63.02 H new ATOM 0 HB2 ARG A 57 8.206 -5.973 0.426 1.00 61.34 H new ATOM 0 HB3 ARG A 57 7.877 -5.210 -1.116 1.00 61.34 H new ATOM 0 HG2 ARG A 57 7.694 -2.994 0.016 1.00 44.04 H new ATOM 0 HG3 ARG A 57 8.017 -3.756 1.561 1.00 44.04 H new ATOM 0 HD2 ARG A 57 10.077 -2.731 0.646 1.00 60.20 H new ATOM 0 HD3 ARG A 57 10.260 -4.468 0.789 1.00 60.20 H new ATOM 0 HE ARG A 57 10.395 -4.670 -1.551 1.00 33.00 H new ATOM 0 HH11 ARG A 57 9.404 -1.357 -0.708 1.00 65.30 H new ATOM 0 HH12 ARG A 57 9.645 -0.761 -2.353 1.00 65.30 H new ATOM 0 HH21 ARG A 57 10.746 -3.839 -3.628 1.00 62.04 H new ATOM 0 HH22 ARG A 57 10.393 -2.144 -3.981 1.00 62.04 H new ATOM 935 N THR A 58 5.031 -3.196 0.057 1.00 35.53 N ATOM 936 CA THR A 58 4.424 -2.030 -0.606 1.00 74.43 C ATOM 937 C THR A 58 5.024 -0.723 -0.060 1.00 5.41 C ATOM 938 O THR A 58 4.768 -0.360 1.088 1.00 23.23 O ATOM 939 CB THR A 58 2.870 -1.992 -0.445 1.00 33.33 C ATOM 940 OG1 THR A 58 2.306 -3.267 -0.783 1.00 45.40 O ATOM 941 CG2 THR A 58 2.234 -0.908 -1.339 1.00 53.13 C ATOM 0 H THR A 58 5.196 -3.063 1.055 1.00 35.53 H new ATOM 0 HA THR A 58 4.649 -2.126 -1.668 1.00 74.43 H new ATOM 0 HB THR A 58 2.656 -1.753 0.597 1.00 33.33 H new ATOM 0 HG1 THR A 58 2.866 -3.704 -1.458 1.00 45.40 H new ATOM 0 HG21 THR A 58 1.153 -0.911 -1.201 1.00 53.13 H new ATOM 0 HG22 THR A 58 2.632 0.069 -1.065 1.00 53.13 H new ATOM 0 HG23 THR A 58 2.467 -1.115 -2.384 1.00 53.13 H new ATOM 949 N SER A 59 5.831 -0.036 -0.883 1.00 12.55 N ATOM 950 CA SER A 59 6.349 1.305 -0.576 1.00 33.35 C ATOM 951 C SER A 59 5.476 2.359 -1.280 1.00 74.54 C ATOM 952 O SER A 59 5.332 2.329 -2.505 1.00 53.50 O ATOM 953 CB SER A 59 7.821 1.413 -1.024 1.00 63.33 C ATOM 954 OG SER A 59 8.639 0.525 -0.284 1.00 65.23 O ATOM 0 H SER A 59 6.144 -0.397 -1.784 1.00 12.55 H new ATOM 0 HA SER A 59 6.310 1.482 0.499 1.00 33.35 H new ATOM 0 HB2 SER A 59 7.900 1.186 -2.087 1.00 63.33 H new ATOM 0 HB3 SER A 59 8.173 2.436 -0.889 1.00 63.33 H new ATOM 0 HG SER A 59 8.712 0.841 0.641 1.00 65.23 H new ATOM 960 N ILE A 60 4.881 3.269 -0.493 1.00 4.41 N ATOM 961 CA ILE A 60 3.961 4.310 -0.989 1.00 5.01 C ATOM 962 C ILE A 60 4.476 5.704 -0.595 1.00 60.23 C ATOM 963 O ILE A 60 4.762 5.938 0.584 1.00 14.44 O ATOM 964 CB ILE A 60 2.509 4.104 -0.410 1.00 2.44 C ATOM 965 CG1 ILE A 60 1.836 2.827 -1.000 1.00 11.34 C ATOM 966 CG2 ILE A 60 1.623 5.347 -0.637 1.00 42.52 C ATOM 967 CD1 ILE A 60 0.424 2.570 -0.490 1.00 3.20 C ATOM 0 H ILE A 60 5.025 3.305 0.516 1.00 4.41 H new ATOM 0 HA ILE A 60 3.918 4.230 -2.075 1.00 5.01 H new ATOM 0 HB ILE A 60 2.611 3.963 0.666 1.00 2.44 H new ATOM 0 HG12 ILE A 60 1.807 2.915 -2.086 1.00 11.34 H new ATOM 0 HG13 ILE A 60 2.457 1.962 -0.766 1.00 11.34 H new ATOM 0 HG21 ILE A 60 0.630 5.167 -0.224 1.00 42.52 H new ATOM 0 HG22 ILE A 60 2.071 6.208 -0.142 1.00 42.52 H new ATOM 0 HG23 ILE A 60 1.541 5.545 -1.706 1.00 42.52 H new ATOM 0 HD11 ILE A 60 0.030 1.664 -0.950 1.00 3.20 H new ATOM 0 HD12 ILE A 60 0.445 2.448 0.593 1.00 3.20 H new ATOM 0 HD13 ILE A 60 -0.215 3.415 -0.747 1.00 3.20 H new ATOM 979 N THR A 61 4.581 6.621 -1.579 1.00 51.25 N ATOM 980 CA THR A 61 4.966 8.016 -1.320 1.00 32.44 C ATOM 981 C THR A 61 3.838 8.761 -0.563 1.00 53.12 C ATOM 982 O THR A 61 2.692 8.812 -1.025 1.00 14.21 O ATOM 983 CB THR A 61 5.265 8.782 -2.645 1.00 11.20 C ATOM 984 OG1 THR A 61 6.209 8.052 -3.441 1.00 72.14 O ATOM 985 CG2 THR A 61 5.801 10.204 -2.382 1.00 71.50 C ATOM 0 H THR A 61 4.403 6.415 -2.562 1.00 51.25 H new ATOM 0 HA THR A 61 5.870 7.990 -0.712 1.00 32.44 H new ATOM 0 HB THR A 61 4.322 8.872 -3.184 1.00 11.20 H new ATOM 0 HG1 THR A 61 6.386 8.543 -4.270 1.00 72.14 H new ATOM 0 HG21 THR A 61 5.996 10.701 -3.332 1.00 71.50 H new ATOM 0 HG22 THR A 61 5.061 10.773 -1.820 1.00 71.50 H new ATOM 0 HG23 THR A 61 6.726 10.144 -1.808 1.00 71.50 H new ATOM 993 N ALA A 62 4.183 9.307 0.602 1.00 60.33 N ATOM 994 CA ALA A 62 3.313 10.181 1.390 1.00 52.14 C ATOM 995 C ALA A 62 3.990 11.550 1.515 1.00 35.04 C ATOM 996 O ALA A 62 5.213 11.627 1.693 1.00 72.22 O ATOM 997 CB ALA A 62 3.065 9.543 2.756 1.00 3.45 C ATOM 0 H ALA A 62 5.094 9.151 1.034 1.00 60.33 H new ATOM 0 HA ALA A 62 2.346 10.315 0.906 1.00 52.14 H new ATOM 0 HB1 ALA A 62 2.417 10.190 3.348 1.00 3.45 H new ATOM 0 HB2 ALA A 62 2.585 8.573 2.623 1.00 3.45 H new ATOM 0 HB3 ALA A 62 4.015 9.410 3.273 1.00 3.45 H new ATOM 1003 N ARG A 63 3.216 12.629 1.389 1.00 53.22 N ATOM 1004 CA ARG A 63 3.764 14.000 1.403 1.00 34.34 C ATOM 1005 C ARG A 63 3.814 14.529 2.850 1.00 32.20 C ATOM 1006 O ARG A 63 4.617 15.414 3.164 1.00 33.03 O ATOM 1007 CB ARG A 63 2.941 14.956 0.486 1.00 22.52 C ATOM 1008 CG ARG A 63 2.907 14.594 -1.023 1.00 21.32 C ATOM 1009 CD ARG A 63 2.027 13.366 -1.350 1.00 75.00 C ATOM 1010 NE ARG A 63 0.604 13.584 -1.003 1.00 63.53 N ATOM 1011 CZ ARG A 63 -0.435 13.514 -1.863 1.00 65.02 C ATOM 1012 NH1 ARG A 63 -0.245 13.251 -3.162 1.00 11.11 N ATOM 1013 NH2 ARG A 63 -1.663 13.716 -1.414 1.00 41.23 N ATOM 0 H ARG A 63 2.203 12.587 1.275 1.00 53.22 H new ATOM 0 HA ARG A 63 4.778 13.968 1.004 1.00 34.34 H new ATOM 0 HB2 ARG A 63 1.916 14.986 0.855 1.00 22.52 H new ATOM 0 HB3 ARG A 63 3.346 15.963 0.588 1.00 22.52 H new ATOM 0 HG2 ARG A 63 2.540 15.453 -1.585 1.00 21.32 H new ATOM 0 HG3 ARG A 63 3.924 14.402 -1.364 1.00 21.32 H new ATOM 0 HD2 ARG A 63 2.108 13.137 -2.412 1.00 75.00 H new ATOM 0 HD3 ARG A 63 2.402 12.498 -0.807 1.00 75.00 H new ATOM 0 HE ARG A 63 0.390 13.806 -0.031 1.00 63.53 H new ATOM 0 HH11 ARG A 63 0.698 13.099 -3.519 1.00 11.11 H new ATOM 0 HH12 ARG A 63 -1.044 13.203 -3.795 1.00 11.11 H new ATOM 0 HH21 ARG A 63 -1.818 13.922 -0.427 1.00 41.23 H new ATOM 0 HH22 ARG A 63 -2.455 13.666 -2.055 1.00 41.23 H new ATOM 1027 N THR A 64 2.941 13.972 3.723 1.00 72.20 N ATOM 1028 CA THR A 64 2.893 14.281 5.171 1.00 71.23 C ATOM 1029 C THR A 64 2.759 12.967 5.991 1.00 60.23 C ATOM 1030 O THR A 64 2.379 11.927 5.438 1.00 10.21 O ATOM 1031 CB THR A 64 1.703 15.248 5.506 1.00 15.32 C ATOM 1032 OG1 THR A 64 0.454 14.645 5.138 1.00 74.14 O ATOM 1033 CG2 THR A 64 1.831 16.611 4.793 1.00 50.22 C ATOM 0 H THR A 64 2.242 13.287 3.437 1.00 72.20 H new ATOM 0 HA THR A 64 3.822 14.782 5.442 1.00 71.23 H new ATOM 0 HB THR A 64 1.737 15.425 6.581 1.00 15.32 H new ATOM 0 HG1 THR A 64 -0.281 15.257 5.353 1.00 74.14 H new ATOM 0 HG21 THR A 64 0.983 17.242 5.059 1.00 50.22 H new ATOM 0 HG22 THR A 64 2.756 17.098 5.102 1.00 50.22 H new ATOM 0 HG23 THR A 64 1.845 16.457 3.714 1.00 50.22 H new ATOM 1041 N LYS A 65 3.059 13.027 7.314 1.00 52.12 N ATOM 1042 CA LYS A 65 3.063 11.832 8.201 1.00 4.12 C ATOM 1043 C LYS A 65 1.644 11.317 8.502 1.00 63.22 C ATOM 1044 O LYS A 65 1.468 10.123 8.757 1.00 12.54 O ATOM 1045 CB LYS A 65 3.832 12.128 9.521 1.00 64.43 C ATOM 1046 CG LYS A 65 3.278 13.318 10.329 1.00 1.23 C ATOM 1047 CD LYS A 65 4.059 13.587 11.639 1.00 53.23 C ATOM 1048 CE LYS A 65 5.537 13.938 11.415 1.00 22.13 C ATOM 1049 NZ LYS A 65 6.216 14.282 12.695 1.00 24.11 N ATOM 0 H LYS A 65 3.302 13.894 7.793 1.00 52.12 H new ATOM 0 HA LYS A 65 3.581 11.039 7.662 1.00 4.12 H new ATOM 0 HB2 LYS A 65 3.809 11.237 10.148 1.00 64.43 H new ATOM 0 HB3 LYS A 65 4.878 12.322 9.282 1.00 64.43 H new ATOM 0 HG2 LYS A 65 3.305 14.213 9.708 1.00 1.23 H new ATOM 0 HG3 LYS A 65 2.232 13.129 10.570 1.00 1.23 H new ATOM 0 HD2 LYS A 65 3.578 14.404 12.177 1.00 53.23 H new ATOM 0 HD3 LYS A 65 3.997 12.705 12.276 1.00 53.23 H new ATOM 0 HE2 LYS A 65 6.045 13.095 10.947 1.00 22.13 H new ATOM 0 HE3 LYS A 65 5.612 14.778 10.725 1.00 22.13 H new ATOM 0 HZ1 LYS A 65 7.212 14.514 12.508 1.00 24.11 H new ATOM 0 HZ2 LYS A 65 5.745 15.102 13.128 1.00 24.11 H new ATOM 0 HZ3 LYS A 65 6.165 13.471 13.344 1.00 24.11 H new ATOM 1063 N LYS A 66 0.629 12.212 8.465 1.00 41.23 N ATOM 1064 CA LYS A 66 -0.787 11.804 8.611 1.00 44.23 C ATOM 1065 C LYS A 66 -1.236 10.964 7.407 1.00 22.41 C ATOM 1066 O LYS A 66 -2.108 10.094 7.539 1.00 22.22 O ATOM 1067 CB LYS A 66 -1.723 13.028 8.819 1.00 64.23 C ATOM 1068 CG LYS A 66 -1.757 13.548 10.272 1.00 34.00 C ATOM 1069 CD LYS A 66 -2.361 12.508 11.246 1.00 4.11 C ATOM 1070 CE LYS A 66 -2.318 12.956 12.711 1.00 60.14 C ATOM 1071 NZ LYS A 66 -2.812 11.893 13.627 1.00 11.14 N ATOM 0 H LYS A 66 0.763 13.215 8.336 1.00 41.23 H new ATOM 0 HA LYS A 66 -0.861 11.187 9.507 1.00 44.23 H new ATOM 0 HB2 LYS A 66 -1.401 13.836 8.162 1.00 64.23 H new ATOM 0 HB3 LYS A 66 -2.734 12.755 8.517 1.00 64.23 H new ATOM 0 HG2 LYS A 66 -0.745 13.799 10.591 1.00 34.00 H new ATOM 0 HG3 LYS A 66 -2.342 14.467 10.315 1.00 34.00 H new ATOM 0 HD2 LYS A 66 -3.395 12.313 10.963 1.00 4.11 H new ATOM 0 HD3 LYS A 66 -1.820 11.567 11.144 1.00 4.11 H new ATOM 0 HE2 LYS A 66 -1.296 13.222 12.980 1.00 60.14 H new ATOM 0 HE3 LYS A 66 -2.924 13.853 12.835 1.00 60.14 H new ATOM 0 HZ1 LYS A 66 -2.321 11.967 14.541 1.00 11.14 H new ATOM 0 HZ2 LYS A 66 -3.835 12.008 13.773 1.00 11.14 H new ATOM 0 HZ3 LYS A 66 -2.625 10.960 13.208 1.00 11.14 H new ATOM 1085 N GLU A 67 -0.628 11.224 6.244 1.00 72.35 N ATOM 1086 CA GLU A 67 -0.820 10.385 5.060 1.00 22.00 C ATOM 1087 C GLU A 67 -0.067 9.055 5.242 1.00 70.42 C ATOM 1088 O GLU A 67 -0.667 8.000 5.110 1.00 63.44 O ATOM 1089 CB GLU A 67 -0.385 11.134 3.778 1.00 24.22 C ATOM 1090 CG GLU A 67 -1.217 12.411 3.517 1.00 1.41 C ATOM 1091 CD GLU A 67 -0.777 13.199 2.280 1.00 12.03 C ATOM 1092 OE1 GLU A 67 0.433 13.435 2.133 1.00 21.43 O ATOM 1093 OE2 GLU A 67 -1.632 13.631 1.482 1.00 71.11 O ATOM 0 H GLU A 67 0.003 12.012 6.099 1.00 72.35 H new ATOM 0 HA GLU A 67 -1.880 10.158 4.944 1.00 22.00 H new ATOM 0 HB2 GLU A 67 0.668 11.403 3.860 1.00 24.22 H new ATOM 0 HB3 GLU A 67 -0.478 10.465 2.923 1.00 24.22 H new ATOM 0 HG2 GLU A 67 -2.265 12.133 3.404 1.00 1.41 H new ATOM 0 HG3 GLU A 67 -1.152 13.060 4.391 1.00 1.41 H new ATOM 1100 N ALA A 68 1.211 9.129 5.660 1.00 11.42 N ATOM 1101 CA ALA A 68 2.076 7.934 5.851 1.00 73.42 C ATOM 1102 C ALA A 68 1.400 6.856 6.738 1.00 73.03 C ATOM 1103 O ALA A 68 1.398 5.666 6.398 1.00 33.03 O ATOM 1104 CB ALA A 68 3.438 8.364 6.433 1.00 24.55 C ATOM 0 H ALA A 68 1.677 10.010 5.875 1.00 11.42 H new ATOM 0 HA ALA A 68 2.235 7.474 4.876 1.00 73.42 H new ATOM 0 HB1 ALA A 68 4.068 7.486 6.571 1.00 24.55 H new ATOM 0 HB2 ALA A 68 3.925 9.056 5.746 1.00 24.55 H new ATOM 0 HB3 ALA A 68 3.284 8.855 7.394 1.00 24.55 H new ATOM 1110 N GLU A 69 0.773 7.302 7.838 1.00 33.34 N ATOM 1111 CA GLU A 69 0.096 6.402 8.797 1.00 4.43 C ATOM 1112 C GLU A 69 -1.289 5.943 8.273 1.00 54.53 C ATOM 1113 O GLU A 69 -1.747 4.849 8.628 1.00 1.10 O ATOM 1114 CB GLU A 69 -0.033 7.088 10.187 1.00 4.04 C ATOM 1115 CG GLU A 69 -0.940 8.327 10.184 1.00 61.12 C ATOM 1116 CD GLU A 69 -1.024 9.057 11.531 1.00 1.32 C ATOM 1117 OE1 GLU A 69 -0.001 9.599 11.975 1.00 74.11 O ATOM 1118 OE2 GLU A 69 -2.123 9.127 12.130 1.00 61.14 O ATOM 0 H GLU A 69 0.719 8.289 8.090 1.00 33.34 H new ATOM 0 HA GLU A 69 0.711 5.509 8.907 1.00 4.43 H new ATOM 0 HB2 GLU A 69 -0.423 6.365 10.904 1.00 4.04 H new ATOM 0 HB3 GLU A 69 0.960 7.376 10.533 1.00 4.04 H new ATOM 0 HG2 GLU A 69 -0.578 9.025 9.429 1.00 61.12 H new ATOM 0 HG3 GLU A 69 -1.944 8.026 9.885 1.00 61.12 H new ATOM 1125 N LYS A 70 -1.953 6.759 7.410 1.00 41.03 N ATOM 1126 CA LYS A 70 -3.301 6.404 6.901 1.00 61.44 C ATOM 1127 C LYS A 70 -3.191 5.328 5.800 1.00 42.11 C ATOM 1128 O LYS A 70 -3.950 4.362 5.830 1.00 42.44 O ATOM 1129 CB LYS A 70 -4.134 7.652 6.437 1.00 23.33 C ATOM 1130 CG LYS A 70 -3.859 8.203 5.018 1.00 1.33 C ATOM 1131 CD LYS A 70 -4.695 9.472 4.679 1.00 41.13 C ATOM 1132 CE LYS A 70 -4.402 10.015 3.269 1.00 10.02 C ATOM 1133 NZ LYS A 70 -5.202 11.233 2.945 1.00 25.02 N ATOM 0 H LYS A 70 -1.586 7.644 7.061 1.00 41.03 H new ATOM 0 HA LYS A 70 -3.863 5.983 7.734 1.00 61.44 H new ATOM 0 HB2 LYS A 70 -5.191 7.394 6.499 1.00 23.33 H new ATOM 0 HB3 LYS A 70 -3.960 8.457 7.151 1.00 23.33 H new ATOM 0 HG2 LYS A 70 -2.799 8.439 4.926 1.00 1.33 H new ATOM 0 HG3 LYS A 70 -4.077 7.426 4.285 1.00 1.33 H new ATOM 0 HD2 LYS A 70 -5.756 9.236 4.760 1.00 41.13 H new ATOM 0 HD3 LYS A 70 -4.484 10.248 5.414 1.00 41.13 H new ATOM 0 HE2 LYS A 70 -3.341 10.250 3.187 1.00 10.02 H new ATOM 0 HE3 LYS A 70 -4.614 9.239 2.534 1.00 10.02 H new ATOM 0 HZ1 LYS A 70 -4.787 11.712 2.120 1.00 25.02 H new ATOM 0 HZ2 LYS A 70 -6.181 10.958 2.729 1.00 25.02 H new ATOM 0 HZ3 LYS A 70 -5.196 11.879 3.760 1.00 25.02 H new ATOM 1147 N PHE A 71 -2.198 5.472 4.872 1.00 62.14 N ATOM 1148 CA PHE A 71 -1.913 4.447 3.823 1.00 75.13 C ATOM 1149 C PHE A 71 -1.397 3.155 4.470 1.00 14.21 C ATOM 1150 O PHE A 71 -1.594 2.070 3.926 1.00 22.03 O ATOM 1151 CB PHE A 71 -0.876 4.927 2.766 1.00 12.10 C ATOM 1152 CG PHE A 71 -1.312 6.072 1.841 1.00 21.13 C ATOM 1153 CD1 PHE A 71 -1.412 7.352 2.310 1.00 43.41 C ATOM 1154 CD2 PHE A 71 -1.555 5.877 0.496 1.00 52.22 C ATOM 1155 CE1 PHE A 71 -1.749 8.407 1.498 1.00 71.23 C ATOM 1156 CE2 PHE A 71 -1.879 6.938 -0.331 1.00 60.42 C ATOM 1157 CZ PHE A 71 -1.972 8.199 0.174 1.00 45.12 C ATOM 0 H PHE A 71 -1.584 6.286 4.830 1.00 62.14 H new ATOM 0 HA PHE A 71 -2.856 4.270 3.306 1.00 75.13 H new ATOM 0 HB2 PHE A 71 0.026 5.240 3.292 1.00 12.10 H new ATOM 0 HB3 PHE A 71 -0.603 4.074 2.145 1.00 12.10 H new ATOM 0 HD1 PHE A 71 -1.219 7.540 3.356 1.00 43.41 H new ATOM 0 HD2 PHE A 71 -1.491 4.881 0.083 1.00 52.22 H new ATOM 0 HE1 PHE A 71 -1.837 9.401 1.911 1.00 71.23 H new ATOM 0 HE2 PHE A 71 -2.059 6.765 -1.382 1.00 60.42 H new ATOM 0 HZ PHE A 71 -2.221 9.027 -0.473 1.00 45.12 H new ATOM 1167 N ALA A 72 -0.718 3.300 5.630 1.00 44.51 N ATOM 1168 CA ALA A 72 -0.311 2.163 6.465 1.00 62.11 C ATOM 1169 C ALA A 72 -1.541 1.350 6.866 1.00 3.14 C ATOM 1170 O ALA A 72 -1.631 0.175 6.545 1.00 64.50 O ATOM 1171 CB ALA A 72 0.450 2.644 7.706 1.00 25.45 C ATOM 0 H ALA A 72 -0.441 4.207 6.006 1.00 44.51 H new ATOM 0 HA ALA A 72 0.360 1.526 5.889 1.00 62.11 H new ATOM 0 HB1 ALA A 72 0.742 1.785 8.310 1.00 25.45 H new ATOM 0 HB2 ALA A 72 1.342 3.190 7.397 1.00 25.45 H new ATOM 0 HB3 ALA A 72 -0.191 3.300 8.295 1.00 25.45 H new ATOM 1177 N ALA A 73 -2.521 2.043 7.488 1.00 41.41 N ATOM 1178 CA ALA A 73 -3.778 1.431 7.954 1.00 32.41 C ATOM 1179 C ALA A 73 -4.545 0.762 6.796 1.00 15.22 C ATOM 1180 O ALA A 73 -5.088 -0.329 6.963 1.00 42.05 O ATOM 1181 CB ALA A 73 -4.655 2.485 8.638 1.00 61.41 C ATOM 0 H ALA A 73 -2.459 3.043 7.679 1.00 41.41 H new ATOM 0 HA ALA A 73 -3.526 0.654 8.675 1.00 32.41 H new ATOM 0 HB1 ALA A 73 -5.581 2.022 8.979 1.00 61.41 H new ATOM 0 HB2 ALA A 73 -4.122 2.903 9.492 1.00 61.41 H new ATOM 0 HB3 ALA A 73 -4.886 3.281 7.930 1.00 61.41 H new ATOM 1187 N ILE A 74 -4.524 1.425 5.619 1.00 2.35 N ATOM 1188 CA ILE A 74 -5.156 0.931 4.382 1.00 63.42 C ATOM 1189 C ILE A 74 -4.521 -0.420 3.957 1.00 30.32 C ATOM 1190 O ILE A 74 -5.235 -1.405 3.787 1.00 32.42 O ATOM 1191 CB ILE A 74 -5.053 2.023 3.229 1.00 50.14 C ATOM 1192 CG1 ILE A 74 -5.851 3.314 3.619 1.00 11.23 C ATOM 1193 CG2 ILE A 74 -5.554 1.472 1.870 1.00 52.44 C ATOM 1194 CD1 ILE A 74 -5.594 4.528 2.733 1.00 2.10 C ATOM 0 H ILE A 74 -4.062 2.327 5.503 1.00 2.35 H new ATOM 0 HA ILE A 74 -6.215 0.754 4.569 1.00 63.42 H new ATOM 0 HB ILE A 74 -4.000 2.279 3.116 1.00 50.14 H new ATOM 0 HG12 ILE A 74 -6.916 3.085 3.594 1.00 11.23 H new ATOM 0 HG13 ILE A 74 -5.606 3.577 4.648 1.00 11.23 H new ATOM 0 HG21 ILE A 74 -5.468 2.247 1.109 1.00 52.44 H new ATOM 0 HG22 ILE A 74 -4.950 0.611 1.582 1.00 52.44 H new ATOM 0 HG23 ILE A 74 -6.597 1.169 1.962 1.00 52.44 H new ATOM 0 HD11 ILE A 74 -6.192 5.368 3.085 1.00 2.10 H new ATOM 0 HD12 ILE A 74 -4.537 4.792 2.775 1.00 2.10 H new ATOM 0 HD13 ILE A 74 -5.868 4.293 1.705 1.00 2.10 H new ATOM 1206 N LEU A 75 -3.172 -0.457 3.867 1.00 14.23 N ATOM 1207 CA LEU A 75 -2.391 -1.667 3.501 1.00 2.24 C ATOM 1208 C LEU A 75 -2.543 -2.818 4.525 1.00 11.55 C ATOM 1209 O LEU A 75 -2.571 -3.994 4.129 1.00 1.52 O ATOM 1210 CB LEU A 75 -0.897 -1.286 3.330 1.00 10.23 C ATOM 1211 CG LEU A 75 -0.553 -0.420 2.078 1.00 1.45 C ATOM 1212 CD1 LEU A 75 0.900 0.105 2.144 1.00 31.11 C ATOM 1213 CD2 LEU A 75 -0.810 -1.227 0.786 1.00 73.11 C ATOM 0 H LEU A 75 -2.587 0.359 4.048 1.00 14.23 H new ATOM 0 HA LEU A 75 -2.792 -2.041 2.559 1.00 2.24 H new ATOM 0 HB2 LEU A 75 -0.576 -0.746 4.221 1.00 10.23 H new ATOM 0 HB3 LEU A 75 -0.311 -2.204 3.285 1.00 10.23 H new ATOM 0 HG LEU A 75 -1.207 0.452 2.068 1.00 1.45 H new ATOM 0 HD11 LEU A 75 1.111 0.705 1.259 1.00 31.11 H new ATOM 0 HD12 LEU A 75 1.025 0.719 3.036 1.00 31.11 H new ATOM 0 HD13 LEU A 75 1.590 -0.738 2.184 1.00 31.11 H new ATOM 0 HD21 LEU A 75 -0.567 -0.613 -0.081 1.00 73.11 H new ATOM 0 HD22 LEU A 75 -0.186 -2.120 0.785 1.00 73.11 H new ATOM 0 HD23 LEU A 75 -1.860 -1.518 0.741 1.00 73.11 H new ATOM 1225 N ILE A 76 -2.638 -2.469 5.826 1.00 55.44 N ATOM 1226 CA ILE A 76 -2.917 -3.440 6.907 1.00 34.21 C ATOM 1227 C ILE A 76 -4.284 -4.124 6.633 1.00 53.13 C ATOM 1228 O ILE A 76 -4.391 -5.345 6.706 1.00 21.44 O ATOM 1229 CB ILE A 76 -2.866 -2.749 8.354 1.00 42.12 C ATOM 1230 CG1 ILE A 76 -1.420 -2.765 8.981 1.00 62.14 C ATOM 1231 CG2 ILE A 76 -3.868 -3.383 9.355 1.00 70.44 C ATOM 1232 CD1 ILE A 76 -0.342 -2.003 8.224 1.00 45.33 C ATOM 0 H ILE A 76 -2.524 -1.511 6.156 1.00 55.44 H new ATOM 0 HA ILE A 76 -2.138 -4.203 6.913 1.00 34.21 H new ATOM 0 HB ILE A 76 -3.159 -1.713 8.182 1.00 42.12 H new ATOM 0 HG12 ILE A 76 -1.481 -2.357 9.990 1.00 62.14 H new ATOM 0 HG13 ILE A 76 -1.101 -3.803 9.076 1.00 62.14 H new ATOM 0 HG21 ILE A 76 -3.790 -2.877 10.317 1.00 70.44 H new ATOM 0 HG22 ILE A 76 -4.882 -3.278 8.970 1.00 70.44 H new ATOM 0 HG23 ILE A 76 -3.636 -4.440 9.482 1.00 70.44 H new ATOM 0 HD11 ILE A 76 0.606 -2.089 8.755 1.00 45.33 H new ATOM 0 HD12 ILE A 76 -0.236 -2.421 7.223 1.00 45.33 H new ATOM 0 HD13 ILE A 76 -0.622 -0.952 8.151 1.00 45.33 H new ATOM 1244 N LYS A 77 -5.286 -3.306 6.242 1.00 4.41 N ATOM 1245 CA LYS A 77 -6.659 -3.773 5.946 1.00 55.44 C ATOM 1246 C LYS A 77 -6.712 -4.628 4.655 1.00 25.43 C ATOM 1247 O LYS A 77 -7.425 -5.632 4.615 1.00 3.34 O ATOM 1248 CB LYS A 77 -7.618 -2.552 5.847 1.00 72.43 C ATOM 1249 CG LYS A 77 -7.839 -1.801 7.189 1.00 25.51 C ATOM 1250 CD LYS A 77 -8.587 -0.451 7.011 1.00 34.11 C ATOM 1251 CE LYS A 77 -10.015 -0.608 6.466 1.00 12.42 C ATOM 1252 NZ LYS A 77 -10.694 0.708 6.279 1.00 72.01 N ATOM 0 H LYS A 77 -5.165 -2.300 6.122 1.00 4.41 H new ATOM 0 HA LYS A 77 -6.984 -4.416 6.764 1.00 55.44 H new ATOM 0 HB2 LYS A 77 -7.220 -1.851 5.113 1.00 72.43 H new ATOM 0 HB3 LYS A 77 -8.583 -2.893 5.472 1.00 72.43 H new ATOM 0 HG2 LYS A 77 -8.407 -2.438 7.867 1.00 25.51 H new ATOM 0 HG3 LYS A 77 -6.873 -1.616 7.659 1.00 25.51 H new ATOM 0 HD2 LYS A 77 -8.628 0.062 7.972 1.00 34.11 H new ATOM 0 HD3 LYS A 77 -8.016 0.185 6.334 1.00 34.11 H new ATOM 0 HE2 LYS A 77 -9.983 -1.137 5.514 1.00 12.42 H new ATOM 0 HE3 LYS A 77 -10.599 -1.222 7.152 1.00 12.42 H new ATOM 0 HZ1 LYS A 77 -11.654 0.554 5.910 1.00 72.01 H new ATOM 0 HZ2 LYS A 77 -10.749 1.203 7.192 1.00 72.01 H new ATOM 0 HZ3 LYS A 77 -10.152 1.285 5.604 1.00 72.01 H new ATOM 1266 N VAL A 78 -5.941 -4.223 3.620 1.00 72.43 N ATOM 1267 CA VAL A 78 -5.864 -4.935 2.321 1.00 53.10 C ATOM 1268 C VAL A 78 -5.341 -6.373 2.523 1.00 51.45 C ATOM 1269 O VAL A 78 -5.958 -7.351 2.074 1.00 75.04 O ATOM 1270 CB VAL A 78 -4.930 -4.156 1.301 1.00 35.11 C ATOM 1271 CG1 VAL A 78 -4.694 -4.944 -0.006 1.00 12.40 C ATOM 1272 CG2 VAL A 78 -5.504 -2.756 0.980 1.00 51.12 C ATOM 0 H VAL A 78 -5.353 -3.391 3.661 1.00 72.43 H new ATOM 0 HA VAL A 78 -6.870 -4.980 1.903 1.00 53.10 H new ATOM 0 HB VAL A 78 -3.964 -4.041 1.793 1.00 35.11 H new ATOM 0 HG11 VAL A 78 -4.049 -4.366 -0.668 1.00 12.40 H new ATOM 0 HG12 VAL A 78 -4.217 -5.897 0.225 1.00 12.40 H new ATOM 0 HG13 VAL A 78 -5.649 -5.126 -0.498 1.00 12.40 H new ATOM 0 HG21 VAL A 78 -4.844 -2.244 0.279 1.00 51.12 H new ATOM 0 HG22 VAL A 78 -6.494 -2.862 0.536 1.00 51.12 H new ATOM 0 HG23 VAL A 78 -5.579 -2.174 1.899 1.00 51.12 H new ATOM 1282 N TYR A 79 -4.217 -6.482 3.239 1.00 13.12 N ATOM 1283 CA TYR A 79 -3.488 -7.752 3.414 1.00 25.02 C ATOM 1284 C TYR A 79 -4.038 -8.594 4.583 1.00 23.32 C ATOM 1285 O TYR A 79 -3.755 -9.800 4.659 1.00 1.50 O ATOM 1286 CB TYR A 79 -1.968 -7.470 3.548 1.00 13.23 C ATOM 1287 CG TYR A 79 -1.333 -6.809 2.296 1.00 55.34 C ATOM 1288 CD1 TYR A 79 -1.841 -7.033 1.014 1.00 14.55 C ATOM 1289 CD2 TYR A 79 -0.219 -5.980 2.398 1.00 23.42 C ATOM 1290 CE1 TYR A 79 -1.271 -6.466 -0.104 1.00 30.15 C ATOM 1291 CE2 TYR A 79 0.358 -5.398 1.276 1.00 61.42 C ATOM 1292 CZ TYR A 79 -0.176 -5.650 0.027 1.00 23.24 C ATOM 1293 OH TYR A 79 0.396 -5.099 -1.097 1.00 55.22 O ATOM 0 H TYR A 79 -3.782 -5.692 3.717 1.00 13.12 H new ATOM 0 HA TYR A 79 -3.646 -8.361 2.524 1.00 25.02 H new ATOM 0 HB2 TYR A 79 -1.804 -6.823 4.410 1.00 13.23 H new ATOM 0 HB3 TYR A 79 -1.452 -8.408 3.751 1.00 13.23 H new ATOM 0 HD1 TYR A 79 -2.706 -7.669 0.896 1.00 14.55 H new ATOM 0 HD2 TYR A 79 0.206 -5.785 3.371 1.00 23.42 H new ATOM 0 HE1 TYR A 79 -1.685 -6.663 -1.082 1.00 30.15 H new ATOM 0 HE2 TYR A 79 1.218 -4.753 1.380 1.00 61.42 H new ATOM 0 HH TYR A 79 0.981 -4.358 -0.836 1.00 55.22 H new ATOM 1303 N ALA A 80 -4.827 -7.971 5.482 1.00 0.15 N ATOM 1304 CA ALA A 80 -5.572 -8.705 6.530 1.00 74.00 C ATOM 1305 C ALA A 80 -6.657 -9.588 5.898 1.00 74.24 C ATOM 1306 O ALA A 80 -6.884 -10.716 6.339 1.00 24.34 O ATOM 1307 CB ALA A 80 -6.193 -7.740 7.546 1.00 60.35 C ATOM 0 H ALA A 80 -4.966 -6.961 5.505 1.00 0.15 H new ATOM 0 HA ALA A 80 -4.865 -9.344 7.060 1.00 74.00 H new ATOM 0 HB1 ALA A 80 -6.734 -8.308 8.303 1.00 60.35 H new ATOM 0 HB2 ALA A 80 -5.405 -7.157 8.023 1.00 60.35 H new ATOM 0 HB3 ALA A 80 -6.883 -7.068 7.035 1.00 60.35 H new ATOM 1313 N GLU A 81 -7.292 -9.069 4.829 1.00 52.03 N ATOM 1314 CA GLU A 81 -8.305 -9.820 4.056 1.00 74.31 C ATOM 1315 C GLU A 81 -7.666 -11.005 3.298 1.00 1.12 C ATOM 1316 O GLU A 81 -8.361 -11.956 2.923 1.00 61.41 O ATOM 1317 CB GLU A 81 -9.033 -8.874 3.068 1.00 43.24 C ATOM 1318 CG GLU A 81 -9.748 -7.673 3.727 1.00 40.14 C ATOM 1319 CD GLU A 81 -10.907 -8.067 4.671 1.00 50.05 C ATOM 1320 OE1 GLU A 81 -10.664 -8.351 5.864 1.00 50.02 O ATOM 1321 OE2 GLU A 81 -12.073 -8.089 4.221 1.00 65.44 O ATOM 0 H GLU A 81 -7.121 -8.127 4.478 1.00 52.03 H new ATOM 0 HA GLU A 81 -9.033 -10.227 4.758 1.00 74.31 H new ATOM 0 HB2 GLU A 81 -8.307 -8.496 2.348 1.00 43.24 H new ATOM 0 HB3 GLU A 81 -9.767 -9.453 2.507 1.00 43.24 H new ATOM 0 HG2 GLU A 81 -9.017 -7.093 4.290 1.00 40.14 H new ATOM 0 HG3 GLU A 81 -10.137 -7.022 2.944 1.00 40.14 H new ATOM 1328 N LEU A 82 -6.341 -10.931 3.075 1.00 24.53 N ATOM 1329 CA LEU A 82 -5.561 -12.027 2.467 1.00 60.11 C ATOM 1330 C LEU A 82 -5.146 -13.049 3.543 1.00 2.22 C ATOM 1331 O LEU A 82 -4.948 -14.229 3.238 1.00 2.24 O ATOM 1332 CB LEU A 82 -4.302 -11.465 1.743 1.00 15.41 C ATOM 1333 CG LEU A 82 -4.559 -10.380 0.648 1.00 54.34 C ATOM 1334 CD1 LEU A 82 -3.249 -9.997 -0.078 1.00 14.22 C ATOM 1335 CD2 LEU A 82 -5.646 -10.838 -0.346 1.00 11.41 C ATOM 0 H LEU A 82 -5.781 -10.112 3.310 1.00 24.53 H new ATOM 0 HA LEU A 82 -6.188 -12.529 1.730 1.00 60.11 H new ATOM 0 HB2 LEU A 82 -3.636 -11.041 2.495 1.00 15.41 H new ATOM 0 HB3 LEU A 82 -3.773 -12.298 1.281 1.00 15.41 H new ATOM 0 HG LEU A 82 -4.929 -9.484 1.146 1.00 54.34 H new ATOM 0 HD11 LEU A 82 -3.460 -9.240 -0.834 1.00 14.22 H new ATOM 0 HD12 LEU A 82 -2.536 -9.600 0.644 1.00 14.22 H new ATOM 0 HD13 LEU A 82 -2.827 -10.880 -0.557 1.00 14.22 H new ATOM 0 HD21 LEU A 82 -5.803 -10.063 -1.096 1.00 11.41 H new ATOM 0 HD22 LEU A 82 -5.327 -11.758 -0.836 1.00 11.41 H new ATOM 0 HD23 LEU A 82 -6.578 -11.018 0.191 1.00 11.41 H new ATOM 1347 N GLY A 83 -5.015 -12.582 4.797 1.00 62.42 N ATOM 1348 CA GLY A 83 -4.688 -13.460 5.919 1.00 1.11 C ATOM 1349 C GLY A 83 -4.179 -12.689 7.129 1.00 1.44 C ATOM 1350 O GLY A 83 -3.266 -11.864 6.994 1.00 24.33 O ATOM 0 H GLY A 83 -5.132 -11.601 5.052 1.00 62.42 H new ATOM 0 HA2 GLY A 83 -5.573 -14.030 6.201 1.00 1.11 H new ATOM 0 HA3 GLY A 83 -3.932 -14.180 5.605 1.00 1.11 H new ATOM 1354 N TYR A 84 -4.759 -12.960 8.320 1.00 34.11 N ATOM 1355 CA TYR A 84 -4.293 -12.380 9.589 1.00 22.03 C ATOM 1356 C TYR A 84 -3.084 -13.189 10.095 1.00 62.14 C ATOM 1357 O TYR A 84 -3.229 -14.113 10.908 1.00 2.43 O ATOM 1358 CB TYR A 84 -5.423 -12.346 10.656 1.00 63.24 C ATOM 1359 CG TYR A 84 -6.617 -11.461 10.278 1.00 42.00 C ATOM 1360 CD1 TYR A 84 -7.520 -11.870 9.301 1.00 35.31 C ATOM 1361 CD2 TYR A 84 -6.841 -10.217 10.886 1.00 20.20 C ATOM 1362 CE1 TYR A 84 -8.588 -11.089 8.941 1.00 22.42 C ATOM 1363 CE2 TYR A 84 -7.921 -9.428 10.523 1.00 63.34 C ATOM 1364 CZ TYR A 84 -8.789 -9.870 9.548 1.00 32.42 C ATOM 1365 OH TYR A 84 -9.861 -9.083 9.170 1.00 42.20 O ATOM 0 H TYR A 84 -5.559 -13.584 8.423 1.00 34.11 H new ATOM 0 HA TYR A 84 -3.995 -11.346 9.414 1.00 22.03 H new ATOM 0 HB2 TYR A 84 -5.778 -13.363 10.826 1.00 63.24 H new ATOM 0 HB3 TYR A 84 -5.007 -11.992 11.599 1.00 63.24 H new ATOM 0 HD1 TYR A 84 -7.376 -12.824 8.816 1.00 35.31 H new ATOM 0 HD2 TYR A 84 -6.161 -9.868 11.649 1.00 20.20 H new ATOM 0 HE1 TYR A 84 -9.273 -11.431 8.179 1.00 22.42 H new ATOM 0 HE2 TYR A 84 -8.081 -8.473 11.001 1.00 63.34 H new ATOM 0 HH TYR A 84 -9.861 -8.256 9.695 1.00 42.20 H new ATOM 1375 N ASN A 85 -1.905 -12.889 9.537 1.00 64.25 N ATOM 1376 CA ASN A 85 -0.626 -13.514 9.944 1.00 24.43 C ATOM 1377 C ASN A 85 0.099 -12.534 10.879 1.00 14.42 C ATOM 1378 O ASN A 85 0.126 -12.721 12.104 1.00 21.20 O ATOM 1379 CB ASN A 85 0.250 -13.845 8.694 1.00 51.23 C ATOM 1380 CG ASN A 85 -0.416 -14.812 7.714 1.00 63.34 C ATOM 1381 OD1 ASN A 85 -0.222 -16.028 7.783 1.00 13.14 O ATOM 1382 ND2 ASN A 85 -1.220 -14.281 6.802 1.00 74.23 N ATOM 0 H ASN A 85 -1.803 -12.205 8.788 1.00 64.25 H new ATOM 0 HA ASN A 85 -0.813 -14.455 10.462 1.00 24.43 H new ATOM 0 HB2 ASN A 85 0.487 -12.918 8.172 1.00 51.23 H new ATOM 0 HB3 ASN A 85 1.195 -14.273 9.027 1.00 51.23 H new ATOM 0 HD21 ASN A 85 -1.699 -14.883 6.132 1.00 74.23 H new ATOM 0 HD22 ASN A 85 -1.360 -13.271 6.771 1.00 74.23 H new ATOM 1389 N ASP A 86 0.631 -11.459 10.262 1.00 3.13 N ATOM 1390 CA ASP A 86 1.289 -10.337 10.939 1.00 42.53 C ATOM 1391 C ASP A 86 1.692 -9.336 9.855 1.00 64.43 C ATOM 1392 O ASP A 86 2.378 -9.712 8.895 1.00 54.32 O ATOM 1393 CB ASP A 86 2.543 -10.777 11.750 1.00 1.04 C ATOM 1394 CG ASP A 86 3.151 -9.627 12.584 1.00 14.50 C ATOM 1395 OD1 ASP A 86 3.915 -8.812 12.034 1.00 23.45 O ATOM 1396 OD2 ASP A 86 2.859 -9.531 13.797 1.00 11.51 O ATOM 0 H ASP A 86 0.611 -11.350 9.248 1.00 3.13 H new ATOM 0 HA ASP A 86 0.599 -9.900 11.661 1.00 42.53 H new ATOM 0 HB2 ASP A 86 2.271 -11.597 12.415 1.00 1.04 H new ATOM 0 HB3 ASP A 86 3.298 -11.160 11.063 1.00 1.04 H new ATOM 1401 N ILE A 87 1.253 -8.078 9.981 1.00 60.32 N ATOM 1402 CA ILE A 87 1.573 -7.033 8.996 1.00 24.04 C ATOM 1403 C ILE A 87 2.592 -6.048 9.612 1.00 72.24 C ATOM 1404 O ILE A 87 2.320 -5.423 10.637 1.00 41.22 O ATOM 1405 CB ILE A 87 0.290 -6.249 8.502 1.00 2.23 C ATOM 1406 CG1 ILE A 87 -0.907 -7.205 8.166 1.00 64.25 C ATOM 1407 CG2 ILE A 87 0.633 -5.378 7.270 1.00 53.42 C ATOM 1408 CD1 ILE A 87 -0.674 -8.187 7.023 1.00 3.11 C ATOM 0 H ILE A 87 0.674 -7.757 10.757 1.00 60.32 H new ATOM 0 HA ILE A 87 2.000 -7.522 8.121 1.00 24.04 H new ATOM 0 HB ILE A 87 -0.027 -5.610 9.326 1.00 2.23 H new ATOM 0 HG12 ILE A 87 -1.156 -7.773 9.062 1.00 64.25 H new ATOM 0 HG13 ILE A 87 -1.777 -6.595 7.924 1.00 64.25 H new ATOM 0 HG21 ILE A 87 -0.259 -4.845 6.942 1.00 53.42 H new ATOM 0 HG22 ILE A 87 1.408 -4.659 7.537 1.00 53.42 H new ATOM 0 HG23 ILE A 87 0.992 -6.016 6.462 1.00 53.42 H new ATOM 0 HD11 ILE A 87 -1.566 -8.796 6.879 1.00 3.11 H new ATOM 0 HD12 ILE A 87 -0.460 -7.636 6.107 1.00 3.11 H new ATOM 0 HD13 ILE A 87 0.171 -8.832 7.264 1.00 3.11 H new ATOM 1420 N ASN A 88 3.767 -5.947 8.983 1.00 74.25 N ATOM 1421 CA ASN A 88 4.835 -5.002 9.370 1.00 2.43 C ATOM 1422 C ASN A 88 4.628 -3.660 8.648 1.00 2.04 C ATOM 1423 O ASN A 88 4.052 -3.620 7.559 1.00 51.34 O ATOM 1424 CB ASN A 88 6.235 -5.579 8.993 1.00 12.13 C ATOM 1425 CG ASN A 88 6.752 -6.713 9.896 1.00 63.53 C ATOM 1426 OD1 ASN A 88 7.962 -6.878 10.058 1.00 74.32 O ATOM 1427 ND2 ASN A 88 5.870 -7.495 10.502 1.00 62.31 N ATOM 0 H ASN A 88 4.013 -6.524 8.179 1.00 74.25 H new ATOM 0 HA ASN A 88 4.791 -4.851 10.449 1.00 2.43 H new ATOM 0 HB2 ASN A 88 6.193 -5.946 7.968 1.00 12.13 H new ATOM 0 HB3 ASN A 88 6.960 -4.765 9.011 1.00 12.13 H new ATOM 0 HD21 ASN A 88 6.190 -8.247 11.113 1.00 62.31 H new ATOM 0 HD22 ASN A 88 4.871 -7.345 10.357 1.00 62.31 H new ATOM 1434 N VAL A 89 5.061 -2.564 9.289 1.00 1.23 N ATOM 1435 CA VAL A 89 5.062 -1.215 8.687 1.00 4.15 C ATOM 1436 C VAL A 89 6.380 -0.479 9.026 1.00 24.13 C ATOM 1437 O VAL A 89 6.956 -0.685 10.099 1.00 11.11 O ATOM 1438 CB VAL A 89 3.811 -0.377 9.148 1.00 73.11 C ATOM 1439 CG1 VAL A 89 3.781 -0.167 10.679 1.00 54.22 C ATOM 1440 CG2 VAL A 89 3.719 0.966 8.386 1.00 72.01 C ATOM 0 H VAL A 89 5.422 -2.585 10.243 1.00 1.23 H new ATOM 0 HA VAL A 89 4.995 -1.326 7.605 1.00 4.15 H new ATOM 0 HB VAL A 89 2.926 -0.961 8.894 1.00 73.11 H new ATOM 0 HG11 VAL A 89 2.901 0.416 10.949 1.00 54.22 H new ATOM 0 HG12 VAL A 89 3.742 -1.135 11.178 1.00 54.22 H new ATOM 0 HG13 VAL A 89 4.679 0.366 10.991 1.00 54.22 H new ATOM 0 HG21 VAL A 89 2.845 1.519 8.728 1.00 72.01 H new ATOM 0 HG22 VAL A 89 4.617 1.554 8.575 1.00 72.01 H new ATOM 0 HG23 VAL A 89 3.630 0.772 7.317 1.00 72.01 H new ATOM 1450 N THR A 90 6.861 0.356 8.092 1.00 75.24 N ATOM 1451 CA THR A 90 8.081 1.149 8.255 1.00 43.12 C ATOM 1452 C THR A 90 7.877 2.520 7.595 1.00 1.25 C ATOM 1453 O THR A 90 7.826 2.619 6.369 1.00 14.45 O ATOM 1454 CB THR A 90 9.316 0.428 7.606 1.00 74.44 C ATOM 1455 OG1 THR A 90 9.470 -0.883 8.170 1.00 4.44 O ATOM 1456 CG2 THR A 90 10.621 1.228 7.794 1.00 55.13 C ATOM 0 H THR A 90 6.404 0.499 7.191 1.00 75.24 H new ATOM 0 HA THR A 90 8.281 1.269 9.320 1.00 43.12 H new ATOM 0 HB THR A 90 9.123 0.354 6.536 1.00 74.44 H new ATOM 0 HG1 THR A 90 10.241 -1.327 7.759 1.00 4.44 H new ATOM 0 HG21 THR A 90 11.447 0.691 7.329 1.00 55.13 H new ATOM 0 HG22 THR A 90 10.517 2.208 7.328 1.00 55.13 H new ATOM 0 HG23 THR A 90 10.822 1.352 8.858 1.00 55.13 H new ATOM 1464 N TRP A 91 7.740 3.569 8.406 1.00 74.02 N ATOM 1465 CA TRP A 91 7.655 4.948 7.914 1.00 0.42 C ATOM 1466 C TRP A 91 9.080 5.508 7.806 1.00 13.22 C ATOM 1467 O TRP A 91 9.689 5.867 8.819 1.00 2.05 O ATOM 1468 CB TRP A 91 6.779 5.795 8.870 1.00 72.50 C ATOM 1469 CG TRP A 91 5.369 5.260 9.039 1.00 11.31 C ATOM 1470 CD1 TRP A 91 4.354 5.330 8.132 1.00 63.20 C ATOM 1471 CD2 TRP A 91 4.827 4.567 10.179 1.00 33.43 C ATOM 1472 NE1 TRP A 91 3.222 4.743 8.635 1.00 53.10 N ATOM 1473 CE2 TRP A 91 3.482 4.270 9.889 1.00 34.23 C ATOM 1474 CE3 TRP A 91 5.347 4.176 11.416 1.00 24.14 C ATOM 1475 CZ2 TRP A 91 2.648 3.607 10.786 1.00 51.44 C ATOM 1476 CZ3 TRP A 91 4.521 3.514 12.307 1.00 1.24 C ATOM 1477 CH2 TRP A 91 3.184 3.235 11.988 1.00 22.14 C ATOM 0 H TRP A 91 7.685 3.489 9.421 1.00 74.02 H new ATOM 0 HA TRP A 91 7.186 4.980 6.931 1.00 0.42 H new ATOM 0 HB2 TRP A 91 7.261 5.840 9.847 1.00 72.50 H new ATOM 0 HB3 TRP A 91 6.728 6.816 8.493 1.00 72.50 H new ATOM 0 HD1 TRP A 91 4.431 5.784 7.155 1.00 63.20 H new ATOM 0 HE1 TRP A 91 2.328 4.671 8.150 1.00 53.10 H new ATOM 0 HE3 TRP A 91 6.375 4.387 11.672 1.00 24.14 H new ATOM 0 HZ2 TRP A 91 1.618 3.395 10.542 1.00 51.44 H new ATOM 0 HZ3 TRP A 91 4.913 3.207 13.265 1.00 1.24 H new ATOM 0 HH2 TRP A 91 2.566 2.716 12.706 1.00 22.14 H new ATOM 1488 N ASP A 92 9.623 5.515 6.580 1.00 71.42 N ATOM 1489 CA ASP A 92 11.010 5.921 6.289 1.00 4.42 C ATOM 1490 C ASP A 92 11.053 6.766 5.011 1.00 2.24 C ATOM 1491 O ASP A 92 10.531 6.340 3.983 1.00 22.20 O ATOM 1492 CB ASP A 92 11.897 4.656 6.122 1.00 13.41 C ATOM 1493 CG ASP A 92 13.311 4.963 5.585 1.00 73.51 C ATOM 1494 OD1 ASP A 92 14.179 5.400 6.373 1.00 73.41 O ATOM 1495 OD2 ASP A 92 13.554 4.786 4.370 1.00 52.32 O ATOM 0 H ASP A 92 9.104 5.235 5.748 1.00 71.42 H new ATOM 0 HA ASP A 92 11.390 6.520 7.117 1.00 4.42 H new ATOM 0 HB2 ASP A 92 11.984 4.153 7.085 1.00 13.41 H new ATOM 0 HB3 ASP A 92 11.402 3.962 5.443 1.00 13.41 H new ATOM 1500 N GLY A 93 11.701 7.947 5.093 1.00 25.12 N ATOM 1501 CA GLY A 93 11.858 8.858 3.950 1.00 14.44 C ATOM 1502 C GLY A 93 10.539 9.386 3.417 1.00 70.14 C ATOM 1503 O GLY A 93 10.366 9.506 2.202 1.00 74.42 O ATOM 0 H GLY A 93 12.128 8.291 5.953 1.00 25.12 H new ATOM 0 HA2 GLY A 93 12.484 9.699 4.248 1.00 14.44 H new ATOM 0 HA3 GLY A 93 12.383 8.338 3.149 1.00 14.44 H new ATOM 1507 N ASP A 94 9.601 9.667 4.357 1.00 73.54 N ATOM 1508 CA ASP A 94 8.212 10.104 4.064 1.00 64.30 C ATOM 1509 C ASP A 94 7.442 9.048 3.239 1.00 32.32 C ATOM 1510 O ASP A 94 6.417 9.342 2.634 1.00 64.54 O ATOM 1511 CB ASP A 94 8.200 11.499 3.369 1.00 71.53 C ATOM 1512 CG ASP A 94 8.888 12.597 4.202 1.00 63.41 C ATOM 1513 OD1 ASP A 94 10.129 12.737 4.119 1.00 44.11 O ATOM 1514 OD2 ASP A 94 8.194 13.329 4.939 1.00 72.23 O ATOM 0 H ASP A 94 9.792 9.595 5.356 1.00 73.54 H new ATOM 0 HA ASP A 94 7.690 10.204 5.016 1.00 64.30 H new ATOM 0 HB2 ASP A 94 8.697 11.420 2.402 1.00 71.53 H new ATOM 0 HB3 ASP A 94 7.168 11.792 3.174 1.00 71.53 H new ATOM 1519 N THR A 95 7.934 7.807 3.262 1.00 64.31 N ATOM 1520 CA THR A 95 7.373 6.692 2.500 1.00 71.52 C ATOM 1521 C THR A 95 6.928 5.596 3.473 1.00 73.03 C ATOM 1522 O THR A 95 7.697 5.202 4.360 1.00 40.35 O ATOM 1523 CB THR A 95 8.444 6.131 1.502 1.00 74.25 C ATOM 1524 OG1 THR A 95 8.895 7.197 0.645 1.00 71.54 O ATOM 1525 CG2 THR A 95 7.898 4.981 0.641 1.00 21.14 C ATOM 0 H THR A 95 8.747 7.546 3.820 1.00 64.31 H new ATOM 0 HA THR A 95 6.514 7.036 1.925 1.00 71.52 H new ATOM 0 HB THR A 95 9.269 5.733 2.092 1.00 74.25 H new ATOM 0 HG1 THR A 95 9.383 7.860 1.177 1.00 71.54 H new ATOM 0 HG21 THR A 95 8.679 4.628 -0.033 1.00 21.14 H new ATOM 0 HG22 THR A 95 7.579 4.163 1.287 1.00 21.14 H new ATOM 0 HG23 THR A 95 7.048 5.335 0.058 1.00 21.14 H new ATOM 1533 N VAL A 96 5.692 5.114 3.325 1.00 11.05 N ATOM 1534 CA VAL A 96 5.184 4.006 4.135 1.00 53.15 C ATOM 1535 C VAL A 96 5.443 2.673 3.403 1.00 24.33 C ATOM 1536 O VAL A 96 4.846 2.378 2.359 1.00 50.24 O ATOM 1537 CB VAL A 96 3.666 4.190 4.510 1.00 3.32 C ATOM 1538 CG1 VAL A 96 2.788 4.540 3.294 1.00 43.44 C ATOM 1539 CG2 VAL A 96 3.131 2.941 5.246 1.00 12.24 C ATOM 0 H VAL A 96 5.021 5.477 2.647 1.00 11.05 H new ATOM 0 HA VAL A 96 5.723 3.994 5.082 1.00 53.15 H new ATOM 0 HB VAL A 96 3.607 5.044 5.185 1.00 3.32 H new ATOM 0 HG11 VAL A 96 1.752 4.655 3.614 1.00 43.44 H new ATOM 0 HG12 VAL A 96 3.136 5.473 2.850 1.00 43.44 H new ATOM 0 HG13 VAL A 96 2.853 3.741 2.556 1.00 43.44 H new ATOM 0 HG21 VAL A 96 2.080 3.088 5.496 1.00 12.24 H new ATOM 0 HG22 VAL A 96 3.231 2.068 4.601 1.00 12.24 H new ATOM 0 HG23 VAL A 96 3.703 2.784 6.160 1.00 12.24 H new ATOM 1549 N THR A 97 6.393 1.912 3.944 1.00 71.13 N ATOM 1550 CA THR A 97 6.767 0.593 3.456 1.00 32.20 C ATOM 1551 C THR A 97 6.147 -0.470 4.374 1.00 44.40 C ATOM 1552 O THR A 97 6.641 -0.731 5.467 1.00 23.41 O ATOM 1553 CB THR A 97 8.326 0.485 3.411 1.00 1.32 C ATOM 1554 OG1 THR A 97 8.829 1.550 2.588 1.00 21.22 O ATOM 1555 CG2 THR A 97 8.823 -0.863 2.856 1.00 54.34 C ATOM 0 H THR A 97 6.936 2.207 4.755 1.00 71.13 H new ATOM 0 HA THR A 97 6.391 0.431 2.446 1.00 32.20 H new ATOM 0 HB THR A 97 8.693 0.559 4.435 1.00 1.32 H new ATOM 0 HG1 THR A 97 9.807 1.499 2.549 1.00 21.22 H new ATOM 0 HG21 THR A 97 9.913 -0.875 2.851 1.00 54.34 H new ATOM 0 HG22 THR A 97 8.454 -1.673 3.485 1.00 54.34 H new ATOM 0 HG23 THR A 97 8.454 -0.996 1.839 1.00 54.34 H new ATOM 1563 N VAL A 98 5.034 -1.054 3.922 1.00 22.13 N ATOM 1564 CA VAL A 98 4.340 -2.137 4.624 1.00 42.32 C ATOM 1565 C VAL A 98 4.842 -3.482 4.090 1.00 62.01 C ATOM 1566 O VAL A 98 4.811 -3.727 2.880 1.00 43.53 O ATOM 1567 CB VAL A 98 2.777 -2.001 4.473 1.00 60.34 C ATOM 1568 CG1 VAL A 98 2.028 -3.323 4.767 1.00 65.41 C ATOM 1569 CG2 VAL A 98 2.251 -0.868 5.388 1.00 1.05 C ATOM 0 H VAL A 98 4.584 -0.785 3.047 1.00 22.13 H new ATOM 0 HA VAL A 98 4.560 -2.076 5.690 1.00 42.32 H new ATOM 0 HB VAL A 98 2.577 -1.753 3.431 1.00 60.34 H new ATOM 0 HG11 VAL A 98 0.956 -3.168 4.647 1.00 65.41 H new ATOM 0 HG12 VAL A 98 2.363 -4.093 4.072 1.00 65.41 H new ATOM 0 HG13 VAL A 98 2.237 -3.640 5.789 1.00 65.41 H new ATOM 0 HG21 VAL A 98 1.170 -0.782 5.276 1.00 1.05 H new ATOM 0 HG22 VAL A 98 2.491 -1.098 6.426 1.00 1.05 H new ATOM 0 HG23 VAL A 98 2.721 0.075 5.107 1.00 1.05 H new ATOM 1579 N GLU A 99 5.317 -4.336 5.000 1.00 15.12 N ATOM 1580 CA GLU A 99 5.896 -5.629 4.661 1.00 64.52 C ATOM 1581 C GLU A 99 5.000 -6.753 5.201 1.00 61.51 C ATOM 1582 O GLU A 99 4.517 -6.677 6.332 1.00 72.25 O ATOM 1583 CB GLU A 99 7.329 -5.712 5.253 1.00 22.14 C ATOM 1584 CG GLU A 99 8.116 -6.985 4.896 1.00 1.15 C ATOM 1585 CD GLU A 99 8.192 -7.224 3.379 1.00 54.23 C ATOM 1586 OE1 GLU A 99 9.050 -6.616 2.710 1.00 62.05 O ATOM 1587 OE2 GLU A 99 7.391 -8.019 2.851 1.00 52.34 O ATOM 0 H GLU A 99 5.308 -4.143 6.002 1.00 15.12 H new ATOM 0 HA GLU A 99 5.961 -5.743 3.579 1.00 64.52 H new ATOM 0 HB2 GLU A 99 7.896 -4.846 4.911 1.00 22.14 H new ATOM 0 HB3 GLU A 99 7.261 -5.640 6.338 1.00 22.14 H new ATOM 0 HG2 GLU A 99 9.126 -6.909 5.300 1.00 1.15 H new ATOM 0 HG3 GLU A 99 7.646 -7.845 5.373 1.00 1.15 H new ATOM 1594 N GLY A 100 4.775 -7.776 4.373 1.00 35.12 N ATOM 1595 CA GLY A 100 4.032 -8.957 4.781 1.00 62.43 C ATOM 1596 C GLY A 100 4.951 -9.935 5.496 1.00 51.14 C ATOM 1597 O GLY A 100 5.775 -10.590 4.840 1.00 60.53 O ATOM 0 H GLY A 100 5.103 -7.804 3.408 1.00 35.12 H new ATOM 0 HA2 GLY A 100 3.212 -8.670 5.439 1.00 62.43 H new ATOM 0 HA3 GLY A 100 3.588 -9.436 3.908 1.00 62.43 H new ATOM 1601 N GLN A 101 4.835 -10.023 6.840 1.00 32.42 N ATOM 1602 CA GLN A 101 5.736 -10.849 7.657 1.00 53.32 C ATOM 1603 C GLN A 101 5.406 -12.336 7.483 1.00 3.32 C ATOM 1604 O GLN A 101 4.238 -12.744 7.572 1.00 24.13 O ATOM 1605 CB GLN A 101 5.661 -10.460 9.159 1.00 54.24 C ATOM 1606 CG GLN A 101 6.646 -11.241 10.059 1.00 22.22 C ATOM 1607 CD GLN A 101 6.605 -10.822 11.526 1.00 10.44 C ATOM 1608 OE1 GLN A 101 7.297 -9.886 11.934 1.00 61.21 O ATOM 1609 NE2 GLN A 101 5.809 -11.511 12.340 1.00 44.22 N ATOM 0 H GLN A 101 4.123 -9.529 7.378 1.00 32.42 H new ATOM 0 HA GLN A 101 6.753 -10.666 7.311 1.00 53.32 H new ATOM 0 HB2 GLN A 101 5.861 -9.393 9.258 1.00 54.24 H new ATOM 0 HB3 GLN A 101 4.645 -10.628 9.517 1.00 54.24 H new ATOM 0 HG2 GLN A 101 6.422 -12.305 9.988 1.00 22.22 H new ATOM 0 HG3 GLN A 101 7.658 -11.102 9.679 1.00 22.22 H new ATOM 0 HE21 GLN A 101 5.248 -12.280 11.974 1.00 44.22 H new ATOM 0 HE22 GLN A 101 5.760 -11.270 13.330 1.00 44.22 H new ATOM 1618 N LEU A 102 6.455 -13.132 7.207 1.00 42.01 N ATOM 1619 CA LEU A 102 6.347 -14.585 7.135 1.00 53.41 C ATOM 1620 C LEU A 102 6.036 -15.135 8.543 1.00 42.35 C ATOM 1621 O LEU A 102 6.912 -15.183 9.415 1.00 75.35 O ATOM 1622 CB LEU A 102 7.663 -15.184 6.574 1.00 12.02 C ATOM 1623 CG LEU A 102 7.720 -16.742 6.452 1.00 21.22 C ATOM 1624 CD1 LEU A 102 6.717 -17.285 5.409 1.00 32.21 C ATOM 1625 CD2 LEU A 102 9.158 -17.214 6.159 1.00 5.12 C ATOM 0 H LEU A 102 7.395 -12.779 7.029 1.00 42.01 H new ATOM 0 HA LEU A 102 5.538 -14.869 6.462 1.00 53.41 H new ATOM 0 HB2 LEU A 102 7.839 -14.757 5.587 1.00 12.02 H new ATOM 0 HB3 LEU A 102 8.485 -14.861 7.212 1.00 12.02 H new ATOM 0 HG LEU A 102 7.418 -17.156 7.414 1.00 21.22 H new ATOM 0 HD11 LEU A 102 6.794 -18.371 5.361 1.00 32.21 H new ATOM 0 HD12 LEU A 102 5.704 -17.006 5.699 1.00 32.21 H new ATOM 0 HD13 LEU A 102 6.944 -16.861 4.431 1.00 32.21 H new ATOM 0 HD21 LEU A 102 9.175 -18.301 6.078 1.00 5.12 H new ATOM 0 HD22 LEU A 102 9.501 -16.775 5.222 1.00 5.12 H new ATOM 0 HD23 LEU A 102 9.816 -16.900 6.969 1.00 5.12 H new ATOM 1637 N GLU A 103 4.763 -15.474 8.755 1.00 33.11 N ATOM 1638 CA GLU A 103 4.284 -16.096 9.998 1.00 60.32 C ATOM 1639 C GLU A 103 3.357 -17.249 9.587 1.00 61.43 C ATOM 1640 O GLU A 103 2.433 -17.043 8.789 1.00 14.44 O ATOM 1641 CB GLU A 103 3.540 -15.039 10.890 1.00 0.34 C ATOM 1642 CG GLU A 103 3.537 -15.324 12.419 1.00 43.24 C ATOM 1643 CD GLU A 103 2.930 -16.683 12.824 1.00 53.31 C ATOM 1644 OE1 GLU A 103 1.705 -16.858 12.678 1.00 54.55 O ATOM 1645 OE2 GLU A 103 3.687 -17.590 13.258 1.00 12.15 O ATOM 0 H GLU A 103 4.027 -15.325 8.065 1.00 33.11 H new ATOM 0 HA GLU A 103 5.111 -16.476 10.598 1.00 60.32 H new ATOM 0 HB2 GLU A 103 3.998 -14.064 10.722 1.00 0.34 H new ATOM 0 HB3 GLU A 103 2.507 -14.969 10.551 1.00 0.34 H new ATOM 0 HG2 GLU A 103 4.563 -15.277 12.785 1.00 43.24 H new ATOM 0 HG3 GLU A 103 2.983 -14.531 12.921 1.00 43.24 H new ATOM 1652 N GLY A 104 3.632 -18.447 10.111 1.00 32.13 N ATOM 1653 CA GLY A 104 2.867 -19.635 9.770 1.00 23.43 C ATOM 1654 C GLY A 104 2.967 -20.709 10.836 1.00 1.11 C ATOM 1655 O GLY A 104 4.045 -21.278 11.048 1.00 23.33 O ATOM 0 H GLY A 104 4.386 -18.613 10.777 1.00 32.13 H new ATOM 0 HA2 GLY A 104 1.821 -19.363 9.629 1.00 23.43 H new ATOM 0 HA3 GLY A 104 3.224 -20.034 8.821 1.00 23.43 H new ATOM 1659 N VAL A 105 1.842 -20.964 11.521 1.00 52.21 N ATOM 1660 CA VAL A 105 1.722 -22.038 12.509 1.00 11.50 C ATOM 1661 C VAL A 105 1.685 -23.413 11.778 1.00 51.01 C ATOM 1662 O VAL A 105 0.655 -23.827 11.225 1.00 51.14 O ATOM 1663 CB VAL A 105 0.465 -21.804 13.454 1.00 60.32 C ATOM 1664 CG1 VAL A 105 -0.846 -21.583 12.661 1.00 21.14 C ATOM 1665 CG2 VAL A 105 0.314 -22.951 14.480 1.00 54.11 C ATOM 0 H VAL A 105 0.985 -20.424 11.401 1.00 52.21 H new ATOM 0 HA VAL A 105 2.594 -22.036 13.163 1.00 11.50 H new ATOM 0 HB VAL A 105 0.655 -20.881 14.002 1.00 60.32 H new ATOM 0 HG11 VAL A 105 -1.671 -21.429 13.357 1.00 21.14 H new ATOM 0 HG12 VAL A 105 -0.741 -20.706 12.022 1.00 21.14 H new ATOM 0 HG13 VAL A 105 -1.051 -22.459 12.045 1.00 21.14 H new ATOM 0 HG21 VAL A 105 -0.554 -22.762 15.112 1.00 54.11 H new ATOM 0 HG22 VAL A 105 0.181 -23.896 13.953 1.00 54.11 H new ATOM 0 HG23 VAL A 105 1.209 -23.005 15.100 1.00 54.11 H new ATOM 1675 N ASP A 106 2.852 -24.081 11.728 1.00 21.32 N ATOM 1676 CA ASP A 106 3.045 -25.312 10.946 1.00 2.34 C ATOM 1677 C ASP A 106 4.273 -26.089 11.500 1.00 24.42 C ATOM 1678 O ASP A 106 5.423 -25.753 11.151 1.00 41.44 O ATOM 1679 CB ASP A 106 3.193 -24.951 9.433 1.00 31.50 C ATOM 1680 CG ASP A 106 3.489 -26.160 8.530 1.00 40.32 C ATOM 1681 OD1 ASP A 106 2.595 -27.010 8.354 1.00 4.14 O ATOM 1682 OD2 ASP A 106 4.614 -26.263 7.994 1.00 63.43 O ATOM 1683 OXT ASP A 106 4.083 -27.005 12.324 1.00 37.46 O ATOM 0 H ASP A 106 3.688 -23.781 12.230 1.00 21.32 H new ATOM 0 HA ASP A 106 2.178 -25.966 11.039 1.00 2.34 H new ATOM 0 HB2 ASP A 106 2.275 -24.472 9.092 1.00 31.50 H new ATOM 0 HB3 ASP A 106 3.995 -24.221 9.320 1.00 31.50 H new TER 1688 ASP A 106