USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1006 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 116 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 119 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0077) USER MOD Set 2.1: A 95 SER OG : rot 93:sc= 1.13 USER MOD Set 2.2: A 109 HIS : no HE2:sc= -2.83 X(o=-1.7,f=-2!) USER MOD Set 3.1: A 54 ASN : amide:sc= -0.571 K(o=-5.6,f=-10!) USER MOD Set 3.2: A 85 MET CE :methyl -143:sc= -2.69 (180deg=-3.82!) USER MOD Set 3.3: A 112 MET CE :methyl 143:sc= -2.31! (180deg=-0.692) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.114 (180deg=-0.7) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.29 (180deg=1.19) USER MOD Single : A 2 HIS : no HD1:sc= -0.086 X(o=-0.086,f=-0.37) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.26 K(o=-2.3,f=-6.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 40:sc= 1.11 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.0289 K(o=0.029,f=-4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.4!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 90:sc= 1.22 USER MOD Single : A 58 ASN : amide:sc= -8.51! C(o=-8.5!,f=-10!) USER MOD Single : A 64 THR OG1 : rot 109:sc= 0.329 USER MOD Single : A 71 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.35) USER MOD Single : A 74 THR OG1 : rot -100:sc= -0.716 USER MOD Single : A 89 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0256) USER MOD Single : A 90 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.35) USER MOD Single : A 100 SER OG : rot 77:sc= 0.00321 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.154 -5.886 11.157 1.00 64.04 N ATOM 2 CA MET A 1 -20.130 -5.074 10.396 1.00 15.52 C ATOM 3 C MET A 1 -19.400 -3.957 9.670 1.00 51.25 C ATOM 4 O MET A 1 -18.630 -3.223 10.287 1.00 53.43 O ATOM 5 CB MET A 1 -21.190 -4.490 11.339 1.00 54.53 C ATOM 6 CG MET A 1 -22.287 -3.714 10.627 1.00 53.12 C ATOM 7 SD MET A 1 -23.527 -3.058 11.760 1.00 31.22 S ATOM 8 CE MET A 1 -24.173 -4.569 12.477 1.00 62.12 C ATOM 0 H1 MET A 1 -19.662 -6.553 11.772 1.00 64.04 H new ATOM 0 H2 MET A 1 -18.552 -6.416 10.495 1.00 64.04 H new ATOM 0 H3 MET A 1 -18.561 -5.261 11.739 1.00 64.04 H new ATOM 0 HA MET A 1 -20.633 -5.709 9.667 1.00 15.52 H new ATOM 0 HB2 MET A 1 -21.643 -5.302 11.908 1.00 54.53 H new ATOM 0 HB3 MET A 1 -20.701 -3.832 12.057 1.00 54.53 H new ATOM 0 HG2 MET A 1 -21.840 -2.891 10.069 1.00 53.12 H new ATOM 0 HG3 MET A 1 -22.773 -4.365 9.901 1.00 53.12 H new ATOM 0 HE1 MET A 1 -25.154 -4.376 12.910 1.00 62.12 H new ATOM 0 HE2 MET A 1 -24.262 -5.330 11.702 1.00 62.12 H new ATOM 0 HE3 MET A 1 -23.496 -4.921 13.255 1.00 62.12 H new ATOM 20 N HIS A 2 -19.640 -3.834 8.360 1.00 24.10 N ATOM 21 CA HIS A 2 -18.907 -2.883 7.526 1.00 12.22 C ATOM 22 C HIS A 2 -17.423 -3.244 7.561 1.00 0.22 C ATOM 23 O HIS A 2 -16.557 -2.376 7.664 1.00 35.44 O ATOM 24 CB HIS A 2 -19.140 -1.437 8.010 1.00 22.53 C ATOM 25 CG HIS A 2 -18.675 -0.377 7.050 1.00 41.20 C ATOM 26 ND1 HIS A 2 -17.527 0.365 7.237 1.00 11.32 N ATOM 27 CD2 HIS A 2 -19.229 0.081 5.901 1.00 55.01 C ATOM 28 CE1 HIS A 2 -17.396 1.232 6.249 1.00 21.05 C ATOM 29 NE2 HIS A 2 -18.414 1.078 5.424 1.00 5.14 N ATOM 0 H HIS A 2 -20.337 -4.383 7.857 1.00 24.10 H new ATOM 0 HA HIS A 2 -19.268 -2.940 6.499 1.00 12.22 H new ATOM 0 HB2 HIS A 2 -20.204 -1.297 8.199 1.00 22.53 H new ATOM 0 HB3 HIS A 2 -18.627 -1.298 8.962 1.00 22.53 H new ATOM 0 HD2 HIS A 2 -20.142 -0.273 5.445 1.00 55.01 H new ATOM 0 HE1 HIS A 2 -16.593 1.945 6.136 1.00 21.05 H new ATOM 0 HE2 HIS A 2 -18.570 1.613 4.570 1.00 5.14 H new ATOM 38 N ASP A 3 -17.160 -4.549 7.476 1.00 74.13 N ATOM 39 CA ASP A 3 -15.807 -5.097 7.588 1.00 52.12 C ATOM 40 C ASP A 3 -14.938 -4.681 6.408 1.00 14.22 C ATOM 41 O ASP A 3 -14.822 -5.420 5.437 1.00 21.44 O ATOM 42 CB ASP A 3 -15.852 -6.628 7.680 1.00 42.20 C ATOM 43 CG ASP A 3 -16.465 -7.127 8.972 1.00 54.12 C ATOM 44 OD1 ASP A 3 -17.685 -6.929 9.179 1.00 74.15 O ATOM 45 OD2 ASP A 3 -15.737 -7.736 9.784 1.00 70.33 O ATOM 0 H ASP A 3 -17.880 -5.256 7.327 1.00 74.13 H new ATOM 0 HA ASP A 3 -15.366 -4.693 8.499 1.00 52.12 H new ATOM 0 HB2 ASP A 3 -16.423 -7.020 6.838 1.00 42.20 H new ATOM 0 HB3 ASP A 3 -14.840 -7.022 7.589 1.00 42.20 H new ATOM 50 N ILE A 4 -14.402 -3.466 6.508 1.00 54.30 N ATOM 51 CA ILE A 4 -13.452 -2.852 5.572 1.00 71.21 C ATOM 52 C ILE A 4 -13.401 -1.372 5.882 1.00 43.22 C ATOM 53 O ILE A 4 -13.960 -0.926 6.881 1.00 54.53 O ATOM 54 CB ILE A 4 -13.789 -2.988 4.055 1.00 1.43 C ATOM 55 CG1 ILE A 4 -15.296 -2.918 3.805 1.00 2.14 C ATOM 56 CG2 ILE A 4 -13.176 -4.246 3.451 1.00 21.13 C ATOM 57 CD1 ILE A 4 -15.674 -3.068 2.348 1.00 54.11 C ATOM 0 H ILE A 4 -14.629 -2.847 7.286 1.00 54.30 H new ATOM 0 HA ILE A 4 -12.514 -3.387 5.719 1.00 71.21 H new ATOM 0 HB ILE A 4 -13.337 -2.136 3.547 1.00 1.43 H new ATOM 0 HG12 ILE A 4 -15.789 -3.700 4.382 1.00 2.14 H new ATOM 0 HG13 ILE A 4 -15.673 -1.964 4.174 1.00 2.14 H new ATOM 0 HG21 ILE A 4 -13.433 -4.305 2.393 1.00 21.13 H new ATOM 0 HG22 ILE A 4 -12.092 -4.211 3.559 1.00 21.13 H new ATOM 0 HG23 ILE A 4 -13.564 -5.124 3.968 1.00 21.13 H new ATOM 0 HD11 ILE A 4 -16.758 -3.008 2.245 1.00 54.11 H new ATOM 0 HD12 ILE A 4 -15.210 -2.270 1.768 1.00 54.11 H new ATOM 0 HD13 ILE A 4 -15.327 -4.033 1.980 1.00 54.11 H new ATOM 69 N ASP A 5 -12.739 -0.611 5.037 1.00 64.22 N ATOM 70 CA ASP A 5 -12.806 0.837 5.128 1.00 2.02 C ATOM 71 C ASP A 5 -13.393 1.377 3.832 1.00 62.30 C ATOM 72 O ASP A 5 -13.323 2.570 3.535 1.00 24.24 O ATOM 73 CB ASP A 5 -11.425 1.428 5.395 1.00 20.32 C ATOM 74 CG ASP A 5 -11.500 2.854 5.909 1.00 22.35 C ATOM 75 OD1 ASP A 5 -12.037 3.059 7.017 1.00 71.22 O ATOM 76 OD2 ASP A 5 -11.005 3.768 5.220 1.00 51.04 O ATOM 0 H ASP A 5 -12.151 -0.965 4.283 1.00 64.22 H new ATOM 0 HA ASP A 5 -13.445 1.125 5.963 1.00 2.02 H new ATOM 0 HB2 ASP A 5 -10.901 0.808 6.123 1.00 20.32 H new ATOM 0 HB3 ASP A 5 -10.838 1.405 4.477 1.00 20.32 H new ATOM 81 N ASP A 6 -13.980 0.450 3.068 1.00 60.11 N ATOM 82 CA ASP A 6 -14.632 0.752 1.795 1.00 72.04 C ATOM 83 C ASP A 6 -13.624 1.328 0.798 1.00 35.14 C ATOM 84 O ASP A 6 -12.418 1.163 0.970 1.00 13.25 O ATOM 85 CB ASP A 6 -15.797 1.724 2.013 1.00 25.52 C ATOM 86 CG ASP A 6 -16.922 1.503 1.025 1.00 31.34 C ATOM 87 OD1 ASP A 6 -16.804 1.955 -0.131 1.00 44.42 O ATOM 88 OD2 ASP A 6 -17.930 0.865 1.402 1.00 64.04 O ATOM 0 H ASP A 6 -14.015 -0.538 3.320 1.00 60.11 H new ATOM 0 HA ASP A 6 -15.029 -0.174 1.379 1.00 72.04 H new ATOM 0 HB2 ASP A 6 -16.179 1.608 3.027 1.00 25.52 H new ATOM 0 HB3 ASP A 6 -15.434 2.748 1.924 1.00 25.52 H new ATOM 93 N TYR A 7 -14.122 1.956 -0.255 1.00 53.34 N ATOM 94 CA TYR A 7 -13.268 2.638 -1.217 1.00 73.31 C ATOM 95 C TYR A 7 -14.049 3.707 -1.982 1.00 30.44 C ATOM 96 O TYR A 7 -14.458 3.505 -3.122 1.00 60.20 O ATOM 97 CB TYR A 7 -12.575 1.645 -2.176 1.00 0.51 C ATOM 98 CG TYR A 7 -13.462 0.548 -2.751 1.00 54.15 C ATOM 99 CD1 TYR A 7 -13.726 -0.609 -2.027 1.00 73.43 C ATOM 100 CD2 TYR A 7 -14.013 0.660 -4.025 1.00 22.53 C ATOM 101 CE1 TYR A 7 -14.512 -1.618 -2.550 1.00 44.43 C ATOM 102 CE2 TYR A 7 -14.799 -0.348 -4.556 1.00 1.24 C ATOM 103 CZ TYR A 7 -15.047 -1.484 -3.812 1.00 71.54 C ATOM 104 OH TYR A 7 -15.827 -2.494 -4.337 1.00 64.31 O ATOM 0 H TYR A 7 -15.118 2.008 -0.467 1.00 53.34 H new ATOM 0 HA TYR A 7 -12.479 3.139 -0.657 1.00 73.31 H new ATOM 0 HB2 TYR A 7 -12.145 2.209 -3.004 1.00 0.51 H new ATOM 0 HB3 TYR A 7 -11.747 1.175 -1.646 1.00 0.51 H new ATOM 0 HD1 TYR A 7 -13.309 -0.721 -1.037 1.00 73.43 H new ATOM 0 HD2 TYR A 7 -13.824 1.549 -4.609 1.00 22.53 H new ATOM 0 HE1 TYR A 7 -14.706 -2.509 -1.971 1.00 44.43 H new ATOM 0 HE2 TYR A 7 -15.216 -0.246 -5.547 1.00 1.24 H new ATOM 0 HH TYR A 7 -16.127 -2.242 -5.235 1.00 64.31 H new ATOM 114 N PRO A 8 -14.302 4.856 -1.330 1.00 72.01 N ATOM 115 CA PRO A 8 -14.993 5.986 -1.943 1.00 14.52 C ATOM 116 C PRO A 8 -14.025 7.003 -2.549 1.00 60.24 C ATOM 117 O PRO A 8 -14.436 8.045 -3.057 1.00 71.41 O ATOM 118 CB PRO A 8 -15.737 6.591 -0.754 1.00 54.32 C ATOM 119 CG PRO A 8 -14.837 6.359 0.419 1.00 35.50 C ATOM 120 CD PRO A 8 -13.970 5.136 0.080 1.00 54.20 C ATOM 0 HA PRO A 8 -15.634 5.689 -2.773 1.00 14.52 H new ATOM 0 HB2 PRO A 8 -15.925 7.654 -0.904 1.00 54.32 H new ATOM 0 HB3 PRO A 8 -16.706 6.114 -0.609 1.00 54.32 H new ATOM 0 HG2 PRO A 8 -14.214 7.234 0.607 1.00 35.50 H new ATOM 0 HG3 PRO A 8 -15.419 6.181 1.323 1.00 35.50 H new ATOM 0 HD2 PRO A 8 -12.909 5.349 0.207 1.00 54.20 H new ATOM 0 HD3 PRO A 8 -14.204 4.288 0.723 1.00 54.20 H new ATOM 128 N GLN A 9 -12.741 6.690 -2.476 1.00 23.10 N ATOM 129 CA GLN A 9 -11.704 7.563 -3.007 1.00 12.13 C ATOM 130 C GLN A 9 -11.311 7.077 -4.395 1.00 42.40 C ATOM 131 O GLN A 9 -11.085 5.882 -4.591 1.00 54.12 O ATOM 132 CB GLN A 9 -10.501 7.564 -2.050 1.00 35.23 C ATOM 133 CG GLN A 9 -9.438 8.614 -2.355 1.00 63.40 C ATOM 134 CD GLN A 9 -8.551 8.270 -3.541 1.00 42.51 C ATOM 135 OE1 GLN A 9 -8.091 9.157 -4.251 1.00 5.24 O ATOM 136 NE2 GLN A 9 -8.278 6.992 -3.753 1.00 20.42 N ATOM 0 H GLN A 9 -12.390 5.832 -2.051 1.00 23.10 H new ATOM 0 HA GLN A 9 -12.070 8.586 -3.091 1.00 12.13 H new ATOM 0 HB2 GLN A 9 -10.864 7.720 -1.034 1.00 35.23 H new ATOM 0 HB3 GLN A 9 -10.035 6.579 -2.074 1.00 35.23 H new ATOM 0 HG2 GLN A 9 -9.929 9.568 -2.546 1.00 63.40 H new ATOM 0 HG3 GLN A 9 -8.812 8.749 -1.473 1.00 63.40 H new ATOM 0 HE21 GLN A 9 -8.677 6.277 -3.144 1.00 20.42 H new ATOM 0 HE22 GLN A 9 -7.669 6.722 -4.525 1.00 20.42 H new ATOM 145 N ALA A 10 -11.223 7.991 -5.358 1.00 13.32 N ATOM 146 CA ALA A 10 -10.983 7.595 -6.735 1.00 12.01 C ATOM 147 C ALA A 10 -10.175 8.636 -7.500 1.00 74.21 C ATOM 148 O ALA A 10 -10.465 8.932 -8.662 1.00 41.35 O ATOM 149 CB ALA A 10 -12.307 7.324 -7.432 1.00 42.31 C ATOM 0 H ALA A 10 -11.313 8.996 -5.210 1.00 13.32 H new ATOM 0 HA ALA A 10 -10.389 6.681 -6.720 1.00 12.01 H new ATOM 0 HB1 ALA A 10 -12.121 7.027 -8.464 1.00 42.31 H new ATOM 0 HB2 ALA A 10 -12.834 6.523 -6.914 1.00 42.31 H new ATOM 0 HB3 ALA A 10 -12.917 8.227 -7.418 1.00 42.31 H new ATOM 155 N LYS A 11 -9.160 9.190 -6.857 1.00 74.14 N ATOM 156 CA LYS A 11 -8.192 10.008 -7.565 1.00 63.14 C ATOM 157 C LYS A 11 -7.216 9.072 -8.258 1.00 71.54 C ATOM 158 O LYS A 11 -7.271 7.863 -8.042 1.00 40.04 O ATOM 159 CB LYS A 11 -7.448 10.947 -6.608 1.00 45.50 C ATOM 160 CG LYS A 11 -7.189 12.329 -7.193 1.00 63.13 C ATOM 161 CD LYS A 11 -6.180 13.117 -6.370 1.00 4.04 C ATOM 162 CE LYS A 11 -6.638 13.331 -4.933 1.00 4.01 C ATOM 163 NZ LYS A 11 -7.787 14.266 -4.840 1.00 42.22 N ATOM 0 H LYS A 11 -8.987 9.089 -5.857 1.00 74.14 H new ATOM 0 HA LYS A 11 -8.704 10.638 -8.293 1.00 63.14 H new ATOM 0 HB2 LYS A 11 -8.028 11.052 -5.691 1.00 45.50 H new ATOM 0 HB3 LYS A 11 -6.496 10.493 -6.333 1.00 45.50 H new ATOM 0 HG2 LYS A 11 -6.823 12.227 -8.215 1.00 63.13 H new ATOM 0 HG3 LYS A 11 -8.127 12.883 -7.244 1.00 63.13 H new ATOM 0 HD2 LYS A 11 -5.226 12.590 -6.369 1.00 4.04 H new ATOM 0 HD3 LYS A 11 -6.009 14.085 -6.841 1.00 4.04 H new ATOM 0 HE2 LYS A 11 -6.917 12.372 -4.497 1.00 4.01 H new ATOM 0 HE3 LYS A 11 -5.808 13.720 -4.344 1.00 4.01 H new ATOM 0 HZ1 LYS A 11 -8.062 14.380 -3.844 1.00 42.22 H new ATOM 0 HZ2 LYS A 11 -7.515 15.190 -5.232 1.00 42.22 H new ATOM 0 HZ3 LYS A 11 -8.590 13.884 -5.380 1.00 42.22 H new ATOM 177 N ARG A 12 -6.351 9.603 -9.100 1.00 30.32 N ATOM 178 CA ARG A 12 -5.338 8.768 -9.736 1.00 3.01 C ATOM 179 C ARG A 12 -4.091 9.556 -10.133 1.00 41.41 C ATOM 180 O ARG A 12 -3.000 9.261 -9.659 1.00 44.32 O ATOM 181 CB ARG A 12 -5.913 8.012 -10.943 1.00 11.45 C ATOM 182 CG ARG A 12 -6.657 8.876 -11.947 1.00 43.13 C ATOM 183 CD ARG A 12 -7.127 8.043 -13.124 1.00 64.23 C ATOM 184 NE ARG A 12 -7.883 8.825 -14.102 1.00 51.31 N ATOM 185 CZ ARG A 12 -7.789 8.642 -15.418 1.00 72.54 C ATOM 186 NH1 ARG A 12 -6.923 7.759 -15.904 1.00 0.54 N ATOM 187 NH2 ARG A 12 -8.549 9.350 -16.246 1.00 44.13 N ATOM 0 H ARG A 12 -6.324 10.589 -9.359 1.00 30.32 H new ATOM 0 HA ARG A 12 -5.029 8.037 -8.989 1.00 3.01 H new ATOM 0 HB2 ARG A 12 -5.097 7.505 -11.457 1.00 11.45 H new ATOM 0 HB3 ARG A 12 -6.590 7.239 -10.580 1.00 11.45 H new ATOM 0 HG2 ARG A 12 -7.512 9.349 -11.465 1.00 43.13 H new ATOM 0 HG3 ARG A 12 -6.006 9.677 -12.298 1.00 43.13 H new ATOM 0 HD2 ARG A 12 -6.263 7.593 -13.614 1.00 64.23 H new ATOM 0 HD3 ARG A 12 -7.749 7.225 -12.760 1.00 64.23 H new ATOM 0 HE ARG A 12 -8.515 9.548 -13.758 1.00 51.31 H new ATOM 0 HH11 ARG A 12 -6.331 7.222 -15.270 1.00 0.54 H new ATOM 0 HH12 ARG A 12 -6.850 7.618 -16.912 1.00 0.54 H new ATOM 0 HH21 ARG A 12 -9.206 10.036 -15.874 1.00 44.13 H new ATOM 0 HH22 ARG A 12 -8.475 9.208 -17.253 1.00 44.13 H new ATOM 201 N VAL A 13 -4.247 10.563 -10.980 1.00 12.31 N ATOM 202 CA VAL A 13 -3.092 11.278 -11.520 1.00 11.10 C ATOM 203 C VAL A 13 -2.397 12.157 -10.469 1.00 65.43 C ATOM 204 O VAL A 13 -1.188 12.038 -10.283 1.00 63.30 O ATOM 205 CB VAL A 13 -3.471 12.122 -12.762 1.00 65.34 C ATOM 206 CG1 VAL A 13 -2.258 12.870 -13.304 1.00 73.12 C ATOM 207 CG2 VAL A 13 -4.073 11.235 -13.841 1.00 52.24 C ATOM 0 H VAL A 13 -5.151 10.903 -11.308 1.00 12.31 H new ATOM 0 HA VAL A 13 -2.381 10.511 -11.827 1.00 11.10 H new ATOM 0 HB VAL A 13 -4.215 12.858 -12.458 1.00 65.34 H new ATOM 0 HG11 VAL A 13 -2.551 13.455 -14.176 1.00 73.12 H new ATOM 0 HG12 VAL A 13 -1.868 13.536 -12.535 1.00 73.12 H new ATOM 0 HG13 VAL A 13 -1.487 12.154 -13.590 1.00 73.12 H new ATOM 0 HG21 VAL A 13 -4.334 11.842 -14.707 1.00 52.24 H new ATOM 0 HG22 VAL A 13 -3.348 10.476 -14.135 1.00 52.24 H new ATOM 0 HG23 VAL A 13 -4.969 10.749 -13.455 1.00 52.24 H new ATOM 217 N PRO A 14 -3.125 13.049 -9.758 1.00 45.14 N ATOM 218 CA PRO A 14 -2.515 13.951 -8.785 1.00 41.10 C ATOM 219 C PRO A 14 -2.526 13.401 -7.353 1.00 64.30 C ATOM 220 O PRO A 14 -2.833 14.127 -6.404 1.00 45.40 O ATOM 221 CB PRO A 14 -3.396 15.198 -8.893 1.00 73.21 C ATOM 222 CG PRO A 14 -4.751 14.701 -9.288 1.00 51.34 C ATOM 223 CD PRO A 14 -4.573 13.284 -9.854 1.00 31.43 C ATOM 0 HA PRO A 14 -1.459 14.122 -8.993 1.00 41.10 H new ATOM 0 HB2 PRO A 14 -3.436 15.733 -7.944 1.00 73.21 H new ATOM 0 HB3 PRO A 14 -3.002 15.893 -9.634 1.00 73.21 H new ATOM 0 HG2 PRO A 14 -5.421 14.690 -8.429 1.00 51.34 H new ATOM 0 HG3 PRO A 14 -5.199 15.359 -10.033 1.00 51.34 H new ATOM 0 HD2 PRO A 14 -5.137 12.549 -9.279 1.00 31.43 H new ATOM 0 HD3 PRO A 14 -4.922 13.218 -10.885 1.00 31.43 H new ATOM 231 N GLY A 15 -2.187 12.125 -7.204 1.00 41.30 N ATOM 232 CA GLY A 15 -2.056 11.547 -5.878 1.00 53.32 C ATOM 233 C GLY A 15 -3.282 10.776 -5.433 1.00 33.04 C ATOM 234 O GLY A 15 -4.195 11.343 -4.838 1.00 35.33 O ATOM 0 H GLY A 15 -2.001 11.482 -7.974 1.00 41.30 H new ATOM 0 HA2 GLY A 15 -1.193 10.882 -5.864 1.00 53.32 H new ATOM 0 HA3 GLY A 15 -1.857 12.343 -5.161 1.00 53.32 H new ATOM 238 N LEU A 16 -3.303 9.480 -5.705 1.00 64.32 N ATOM 239 CA LEU A 16 -4.419 8.641 -5.277 1.00 41.44 C ATOM 240 C LEU A 16 -4.038 7.887 -4.015 1.00 3.00 C ATOM 241 O LEU A 16 -2.852 7.665 -3.752 1.00 61.12 O ATOM 242 CB LEU A 16 -4.845 7.665 -6.389 1.00 24.23 C ATOM 243 CG LEU A 16 -3.897 6.503 -6.693 1.00 14.30 C ATOM 244 CD1 LEU A 16 -4.168 5.311 -5.784 1.00 70.42 C ATOM 245 CD2 LEU A 16 -4.012 6.082 -8.147 1.00 70.21 C ATOM 0 H LEU A 16 -2.569 8.987 -6.215 1.00 64.32 H new ATOM 0 HA LEU A 16 -5.273 9.284 -5.064 1.00 41.44 H new ATOM 0 HB2 LEU A 16 -5.816 7.249 -6.121 1.00 24.23 H new ATOM 0 HB3 LEU A 16 -4.985 8.237 -7.306 1.00 24.23 H new ATOM 0 HG LEU A 16 -2.882 6.852 -6.504 1.00 14.30 H new ATOM 0 HD11 LEU A 16 -3.477 4.504 -6.027 1.00 70.42 H new ATOM 0 HD12 LEU A 16 -4.029 5.607 -4.744 1.00 70.42 H new ATOM 0 HD13 LEU A 16 -5.192 4.968 -5.929 1.00 70.42 H new ATOM 0 HD21 LEU A 16 -3.329 5.255 -8.341 1.00 70.21 H new ATOM 0 HD22 LEU A 16 -5.034 5.765 -8.354 1.00 70.21 H new ATOM 0 HD23 LEU A 16 -3.755 6.923 -8.791 1.00 70.21 H new ATOM 257 N VAL A 17 -5.034 7.493 -3.234 1.00 24.13 N ATOM 258 CA VAL A 17 -4.770 6.789 -1.993 1.00 74.33 C ATOM 259 C VAL A 17 -5.573 5.489 -1.901 1.00 63.22 C ATOM 260 O VAL A 17 -6.803 5.491 -1.845 1.00 64.50 O ATOM 261 CB VAL A 17 -5.034 7.688 -0.756 1.00 33.41 C ATOM 262 CG1 VAL A 17 -4.168 8.935 -0.823 1.00 24.30 C ATOM 263 CG2 VAL A 17 -6.495 8.081 -0.631 1.00 61.10 C ATOM 0 H VAL A 17 -6.022 7.648 -3.437 1.00 24.13 H new ATOM 0 HA VAL A 17 -3.711 6.529 -1.995 1.00 74.33 H new ATOM 0 HB VAL A 17 -4.775 7.105 0.128 1.00 33.41 H new ATOM 0 HG11 VAL A 17 -4.361 9.559 0.050 1.00 24.30 H new ATOM 0 HG12 VAL A 17 -3.117 8.647 -0.838 1.00 24.30 H new ATOM 0 HG13 VAL A 17 -4.405 9.494 -1.728 1.00 24.30 H new ATOM 0 HG21 VAL A 17 -6.629 8.709 0.249 1.00 61.10 H new ATOM 0 HG22 VAL A 17 -6.801 8.632 -1.520 1.00 61.10 H new ATOM 0 HG23 VAL A 17 -7.106 7.184 -0.532 1.00 61.10 H new ATOM 273 N VAL A 18 -4.862 4.374 -1.934 1.00 43.41 N ATOM 274 CA VAL A 18 -5.485 3.071 -1.756 1.00 61.22 C ATOM 275 C VAL A 18 -5.001 2.449 -0.457 1.00 10.41 C ATOM 276 O VAL A 18 -3.866 1.989 -0.359 1.00 43.31 O ATOM 277 CB VAL A 18 -5.192 2.111 -2.936 1.00 25.51 C ATOM 278 CG1 VAL A 18 -5.786 0.732 -2.674 1.00 13.33 C ATOM 279 CG2 VAL A 18 -5.745 2.676 -4.233 1.00 4.45 C ATOM 0 H VAL A 18 -3.853 4.344 -2.082 1.00 43.41 H new ATOM 0 HA VAL A 18 -6.564 3.225 -1.722 1.00 61.22 H new ATOM 0 HB VAL A 18 -4.110 2.011 -3.027 1.00 25.51 H new ATOM 0 HG11 VAL A 18 -5.567 0.076 -3.516 1.00 13.33 H new ATOM 0 HG12 VAL A 18 -5.350 0.315 -1.766 1.00 13.33 H new ATOM 0 HG13 VAL A 18 -6.866 0.818 -2.552 1.00 13.33 H new ATOM 0 HG21 VAL A 18 -5.530 1.988 -5.051 1.00 4.45 H new ATOM 0 HG22 VAL A 18 -6.823 2.806 -4.143 1.00 4.45 H new ATOM 0 HG23 VAL A 18 -5.279 3.640 -4.438 1.00 4.45 H new ATOM 289 N TYR A 19 -5.853 2.465 0.547 1.00 3.42 N ATOM 290 CA TYR A 19 -5.493 1.920 1.841 1.00 20.33 C ATOM 291 C TYR A 19 -5.764 0.424 1.904 1.00 41.43 C ATOM 292 O TYR A 19 -6.669 -0.085 1.241 1.00 62.04 O ATOM 293 CB TYR A 19 -6.224 2.656 2.970 1.00 3.42 C ATOM 294 CG TYR A 19 -7.666 3.002 2.667 1.00 21.35 C ATOM 295 CD1 TYR A 19 -8.655 2.028 2.657 1.00 10.42 C ATOM 296 CD2 TYR A 19 -8.034 4.314 2.393 1.00 62.31 C ATOM 297 CE1 TYR A 19 -9.969 2.351 2.385 1.00 73.20 C ATOM 298 CE2 TYR A 19 -9.349 4.644 2.124 1.00 21.24 C ATOM 299 CZ TYR A 19 -10.309 3.659 2.118 1.00 3.25 C ATOM 300 OH TYR A 19 -11.622 3.982 1.854 1.00 52.12 O ATOM 0 H TYR A 19 -6.797 2.848 0.493 1.00 3.42 H new ATOM 0 HA TYR A 19 -4.422 2.071 1.977 1.00 20.33 H new ATOM 0 HB2 TYR A 19 -6.193 2.039 3.868 1.00 3.42 H new ATOM 0 HB3 TYR A 19 -5.683 3.575 3.196 1.00 3.42 H new ATOM 0 HD1 TYR A 19 -8.392 1.001 2.865 1.00 10.42 H new ATOM 0 HD2 TYR A 19 -7.281 5.088 2.390 1.00 62.31 H new ATOM 0 HE1 TYR A 19 -10.727 1.582 2.381 1.00 73.20 H new ATOM 0 HE2 TYR A 19 -9.621 5.669 1.920 1.00 21.24 H new ATOM 0 HH TYR A 19 -12.210 3.476 2.453 1.00 52.12 H new ATOM 310 N ARG A 20 -4.945 -0.279 2.682 1.00 74.30 N ATOM 311 CA ARG A 20 -5.135 -1.704 2.915 1.00 42.14 C ATOM 312 C ARG A 20 -6.486 -1.909 3.590 1.00 72.42 C ATOM 313 O ARG A 20 -6.684 -1.470 4.723 1.00 60.43 O ATOM 314 CB ARG A 20 -4.016 -2.257 3.809 1.00 34.04 C ATOM 315 CG ARG A 20 -2.616 -1.827 3.394 1.00 72.11 C ATOM 316 CD ARG A 20 -2.001 -2.761 2.363 1.00 64.33 C ATOM 317 NE ARG A 20 -1.487 -3.994 2.966 1.00 44.04 N ATOM 318 CZ ARG A 20 -0.229 -4.147 3.401 1.00 3.33 C ATOM 319 NH1 ARG A 20 0.627 -3.132 3.364 1.00 44.40 N ATOM 320 NH2 ARG A 20 0.173 -5.308 3.890 1.00 2.33 N ATOM 0 H ARG A 20 -4.139 0.120 3.163 1.00 74.30 H new ATOM 0 HA ARG A 20 -5.105 -2.236 1.964 1.00 42.14 H new ATOM 0 HB2 ARG A 20 -4.194 -1.935 4.835 1.00 34.04 H new ATOM 0 HB3 ARG A 20 -4.066 -3.346 3.803 1.00 34.04 H new ATOM 0 HG2 ARG A 20 -2.656 -0.817 2.986 1.00 72.11 H new ATOM 0 HG3 ARG A 20 -1.975 -1.790 4.275 1.00 72.11 H new ATOM 0 HD2 ARG A 20 -2.749 -3.011 1.611 1.00 64.33 H new ATOM 0 HD3 ARG A 20 -1.190 -2.246 1.847 1.00 64.33 H new ATOM 0 HE ARG A 20 -2.126 -4.784 3.060 1.00 44.04 H new ATOM 0 HH11 ARG A 20 0.329 -2.226 3.002 1.00 44.40 H new ATOM 0 HH12 ARG A 20 1.583 -3.258 3.697 1.00 44.40 H new ATOM 0 HH21 ARG A 20 -0.476 -6.094 3.938 1.00 2.33 H new ATOM 0 HH22 ARG A 20 1.132 -5.418 4.220 1.00 2.33 H new ATOM 334 N TYR A 21 -7.414 -2.537 2.875 1.00 22.22 N ATOM 335 CA TYR A 21 -8.777 -2.724 3.368 1.00 2.32 C ATOM 336 C TYR A 21 -8.775 -3.351 4.753 1.00 64.31 C ATOM 337 O TYR A 21 -8.164 -4.398 4.969 1.00 20.02 O ATOM 338 CB TYR A 21 -9.583 -3.582 2.391 1.00 32.44 C ATOM 339 CG TYR A 21 -9.731 -2.949 1.027 1.00 22.20 C ATOM 340 CD1 TYR A 21 -10.622 -1.904 0.819 1.00 24.24 C ATOM 341 CD2 TYR A 21 -8.970 -3.388 -0.048 1.00 64.50 C ATOM 342 CE1 TYR A 21 -10.752 -1.317 -0.423 1.00 64.32 C ATOM 343 CE2 TYR A 21 -9.094 -2.804 -1.293 1.00 65.04 C ATOM 344 CZ TYR A 21 -9.987 -1.768 -1.476 1.00 34.40 C ATOM 345 OH TYR A 21 -10.111 -1.185 -2.716 1.00 64.24 O ATOM 0 H TYR A 21 -7.247 -2.927 1.948 1.00 22.22 H new ATOM 0 HA TYR A 21 -9.249 -1.744 3.443 1.00 2.32 H new ATOM 0 HB2 TYR A 21 -9.098 -4.552 2.284 1.00 32.44 H new ATOM 0 HB3 TYR A 21 -10.573 -3.765 2.809 1.00 32.44 H new ATOM 0 HD1 TYR A 21 -11.222 -1.545 1.642 1.00 24.24 H new ATOM 0 HD2 TYR A 21 -8.270 -4.199 0.092 1.00 64.50 H new ATOM 0 HE1 TYR A 21 -11.451 -0.507 -0.569 1.00 64.32 H new ATOM 0 HE2 TYR A 21 -8.495 -3.156 -2.120 1.00 65.04 H new ATOM 0 HH TYR A 21 -9.499 -1.621 -3.345 1.00 64.24 H new ATOM 355 N ASP A 22 -9.456 -2.698 5.687 1.00 74.24 N ATOM 356 CA ASP A 22 -9.443 -3.121 7.080 1.00 53.15 C ATOM 357 C ASP A 22 -10.398 -4.289 7.306 1.00 55.44 C ATOM 358 O ASP A 22 -11.403 -4.168 8.006 1.00 51.11 O ATOM 359 CB ASP A 22 -9.804 -1.946 7.990 1.00 11.21 C ATOM 360 CG ASP A 22 -9.071 -2.001 9.315 1.00 3.30 C ATOM 361 OD1 ASP A 22 -7.823 -2.034 9.298 1.00 62.50 O ATOM 362 OD2 ASP A 22 -9.725 -1.978 10.377 1.00 11.40 O ATOM 0 H ASP A 22 -10.025 -1.872 5.503 1.00 74.24 H new ATOM 0 HA ASP A 22 -8.437 -3.460 7.327 1.00 53.15 H new ATOM 0 HB2 ASP A 22 -9.566 -1.010 7.484 1.00 11.21 H new ATOM 0 HB3 ASP A 22 -10.879 -1.946 8.171 1.00 11.21 H new ATOM 367 N ALA A 23 -10.075 -5.405 6.671 1.00 32.32 N ATOM 368 CA ALA A 23 -10.822 -6.645 6.810 1.00 14.25 C ATOM 369 C ALA A 23 -9.978 -7.811 6.326 1.00 53.34 C ATOM 370 O ALA A 23 -9.223 -7.668 5.366 1.00 63.13 O ATOM 371 CB ALA A 23 -12.106 -6.590 6.016 1.00 73.32 C ATOM 0 H ALA A 23 -9.278 -5.476 6.038 1.00 32.32 H new ATOM 0 HA ALA A 23 -11.068 -6.781 7.863 1.00 14.25 H new ATOM 0 HB1 ALA A 23 -12.648 -7.528 6.135 1.00 73.32 H new ATOM 0 HB2 ALA A 23 -12.722 -5.767 6.377 1.00 73.32 H new ATOM 0 HB3 ALA A 23 -11.876 -6.435 4.962 1.00 73.32 H new ATOM 377 N PRO A 24 -10.061 -8.966 7.004 1.00 44.12 N ATOM 378 CA PRO A 24 -9.257 -10.146 6.667 1.00 3.34 C ATOM 379 C PRO A 24 -9.466 -10.636 5.240 1.00 73.20 C ATOM 380 O PRO A 24 -10.433 -11.339 4.941 1.00 75.03 O ATOM 381 CB PRO A 24 -9.715 -11.208 7.672 1.00 44.41 C ATOM 382 CG PRO A 24 -10.252 -10.424 8.811 1.00 40.22 C ATOM 383 CD PRO A 24 -10.920 -9.210 8.172 1.00 12.41 C ATOM 0 HA PRO A 24 -8.192 -9.918 6.722 1.00 3.34 H new ATOM 0 HB2 PRO A 24 -10.476 -11.860 7.243 1.00 44.41 H new ATOM 0 HB3 PRO A 24 -8.887 -11.846 7.983 1.00 44.41 H new ATOM 0 HG2 PRO A 24 -10.966 -11.008 9.391 1.00 40.22 H new ATOM 0 HG3 PRO A 24 -9.457 -10.124 9.494 1.00 40.22 H new ATOM 0 HD2 PRO A 24 -11.951 -9.416 7.884 1.00 12.41 H new ATOM 0 HD3 PRO A 24 -10.943 -8.355 8.847 1.00 12.41 H new ATOM 391 N LEU A 25 -8.568 -10.225 4.357 1.00 21.41 N ATOM 392 CA LEU A 25 -8.521 -10.781 3.018 1.00 34.42 C ATOM 393 C LEU A 25 -7.361 -11.759 2.923 1.00 73.14 C ATOM 394 O LEU A 25 -7.249 -12.521 1.960 1.00 55.11 O ATOM 395 CB LEU A 25 -8.475 -9.686 1.909 1.00 31.14 C ATOM 396 CG LEU A 25 -7.249 -8.731 1.812 1.00 31.42 C ATOM 397 CD1 LEU A 25 -7.011 -7.949 3.091 1.00 1.40 C ATOM 398 CD2 LEU A 25 -5.987 -9.473 1.403 1.00 54.24 C ATOM 0 H LEU A 25 -7.865 -9.510 4.545 1.00 21.41 H new ATOM 0 HA LEU A 25 -9.450 -11.321 2.836 1.00 34.42 H new ATOM 0 HB2 LEU A 25 -8.569 -10.193 0.948 1.00 31.14 H new ATOM 0 HB3 LEU A 25 -9.362 -9.064 2.030 1.00 31.14 H new ATOM 0 HG LEU A 25 -7.494 -8.011 1.031 1.00 31.42 H new ATOM 0 HD11 LEU A 25 -6.144 -7.300 2.965 1.00 1.40 H new ATOM 0 HD12 LEU A 25 -7.889 -7.343 3.315 1.00 1.40 H new ATOM 0 HD13 LEU A 25 -6.829 -8.642 3.913 1.00 1.40 H new ATOM 0 HD21 LEU A 25 -5.155 -8.772 1.347 1.00 54.24 H new ATOM 0 HD22 LEU A 25 -5.763 -10.244 2.141 1.00 54.24 H new ATOM 0 HD23 LEU A 25 -6.137 -9.937 0.428 1.00 54.24 H new ATOM 410 N CYS A 26 -6.515 -11.723 3.951 1.00 74.55 N ATOM 411 CA CYS A 26 -5.401 -12.652 4.099 1.00 74.54 C ATOM 412 C CYS A 26 -4.407 -12.520 2.949 1.00 41.52 C ATOM 413 O CYS A 26 -3.471 -11.724 3.028 1.00 71.42 O ATOM 414 CB CYS A 26 -5.916 -14.087 4.204 1.00 54.21 C ATOM 415 SG CYS A 26 -7.163 -14.329 5.488 1.00 22.21 S ATOM 0 H CYS A 26 -6.585 -11.043 4.708 1.00 74.55 H new ATOM 0 HA CYS A 26 -4.875 -12.400 5.020 1.00 74.54 H new ATOM 0 HB2 CYS A 26 -6.337 -14.382 3.243 1.00 54.21 H new ATOM 0 HB3 CYS A 26 -5.074 -14.751 4.400 1.00 54.21 H new ATOM 0 HG CYS A 26 -7.539 -15.573 5.499 1.00 22.21 H new ATOM 421 N PHE A 27 -4.619 -13.309 1.895 1.00 54.40 N ATOM 422 CA PHE A 27 -3.793 -13.258 0.690 1.00 64.34 C ATOM 423 C PHE A 27 -4.275 -14.273 -0.345 1.00 31.43 C ATOM 424 O PHE A 27 -3.720 -14.353 -1.438 1.00 50.53 O ATOM 425 CB PHE A 27 -2.311 -13.510 1.010 1.00 32.23 C ATOM 426 CG PHE A 27 -2.014 -14.896 1.516 1.00 62.50 C ATOM 427 CD1 PHE A 27 -2.278 -15.242 2.833 1.00 14.15 C ATOM 428 CD2 PHE A 27 -1.474 -15.853 0.673 1.00 60.24 C ATOM 429 CE1 PHE A 27 -2.007 -16.512 3.297 1.00 73.23 C ATOM 430 CE2 PHE A 27 -1.201 -17.127 1.133 1.00 1.11 C ATOM 431 CZ PHE A 27 -1.469 -17.457 2.446 1.00 51.32 C ATOM 0 H PHE A 27 -5.368 -14.001 1.853 1.00 54.40 H new ATOM 0 HA PHE A 27 -3.890 -12.254 0.277 1.00 64.34 H new ATOM 0 HB2 PHE A 27 -1.721 -13.330 0.111 1.00 32.23 H new ATOM 0 HB3 PHE A 27 -1.984 -12.786 1.756 1.00 32.23 H new ATOM 0 HD1 PHE A 27 -2.701 -14.508 3.503 1.00 14.15 H new ATOM 0 HD2 PHE A 27 -1.264 -15.601 -0.356 1.00 60.24 H new ATOM 0 HE1 PHE A 27 -2.215 -16.767 4.325 1.00 73.23 H new ATOM 0 HE2 PHE A 27 -0.778 -17.864 0.466 1.00 1.11 H new ATOM 0 HZ PHE A 27 -1.258 -18.453 2.807 1.00 51.32 H new ATOM 441 N ALA A 28 -5.327 -15.020 0.009 1.00 11.42 N ATOM 442 CA ALA A 28 -5.864 -16.107 -0.820 1.00 24.13 C ATOM 443 C ALA A 28 -5.930 -15.748 -2.301 1.00 31.23 C ATOM 444 O ALA A 28 -5.475 -16.508 -3.156 1.00 53.44 O ATOM 445 CB ALA A 28 -7.249 -16.482 -0.322 1.00 33.11 C ATOM 0 H ALA A 28 -5.833 -14.887 0.884 1.00 11.42 H new ATOM 0 HA ALA A 28 -5.181 -16.951 -0.729 1.00 24.13 H new ATOM 0 HB1 ALA A 28 -7.650 -17.289 -0.936 1.00 33.11 H new ATOM 0 HB2 ALA A 28 -7.186 -16.812 0.715 1.00 33.11 H new ATOM 0 HB3 ALA A 28 -7.906 -15.615 -0.388 1.00 33.11 H new ATOM 451 N ASN A 29 -6.506 -14.596 -2.591 1.00 72.01 N ATOM 452 CA ASN A 29 -6.624 -14.121 -3.960 1.00 54.12 C ATOM 453 C ASN A 29 -6.092 -12.702 -4.060 1.00 62.22 C ATOM 454 O ASN A 29 -6.334 -12.002 -5.040 1.00 64.31 O ATOM 455 CB ASN A 29 -8.089 -14.158 -4.412 1.00 61.11 C ATOM 456 CG ASN A 29 -8.977 -13.178 -3.656 1.00 13.20 C ATOM 457 OD1 ASN A 29 -8.734 -12.854 -2.488 1.00 72.15 O ATOM 458 ND2 ASN A 29 -10.020 -12.703 -4.315 1.00 35.22 N ATOM 0 H ASN A 29 -6.902 -13.967 -1.893 1.00 72.01 H new ATOM 0 HA ASN A 29 -6.039 -14.773 -4.609 1.00 54.12 H new ATOM 0 HB2 ASN A 29 -8.139 -13.935 -5.478 1.00 61.11 H new ATOM 0 HB3 ASN A 29 -8.478 -15.167 -4.279 1.00 61.11 H new ATOM 0 HD21 ASN A 29 -10.655 -12.047 -3.860 1.00 35.22 H new ATOM 0 HD22 ASN A 29 -10.190 -12.992 -5.278 1.00 35.22 H new ATOM 465 N ALA A 30 -5.328 -12.302 -3.051 1.00 73.20 N ATOM 466 CA ALA A 30 -4.896 -10.919 -2.911 1.00 34.23 C ATOM 467 C ALA A 30 -3.830 -10.542 -3.930 1.00 11.32 C ATOM 468 O ALA A 30 -3.516 -9.370 -4.091 1.00 71.34 O ATOM 469 CB ALA A 30 -4.381 -10.665 -1.504 1.00 73.22 C ATOM 0 H ALA A 30 -4.993 -12.922 -2.313 1.00 73.20 H new ATOM 0 HA ALA A 30 -5.767 -10.291 -3.099 1.00 34.23 H new ATOM 0 HB1 ALA A 30 -4.062 -9.627 -1.415 1.00 73.22 H new ATOM 0 HB2 ALA A 30 -5.175 -10.863 -0.784 1.00 73.22 H new ATOM 0 HB3 ALA A 30 -3.536 -11.323 -1.302 1.00 73.22 H new ATOM 475 N GLU A 31 -3.273 -11.527 -4.610 1.00 21.54 N ATOM 476 CA GLU A 31 -2.262 -11.269 -5.622 1.00 54.34 C ATOM 477 C GLU A 31 -2.902 -10.629 -6.852 1.00 3.13 C ATOM 478 O GLU A 31 -2.649 -9.455 -7.171 1.00 62.23 O ATOM 479 CB GLU A 31 -1.552 -12.573 -5.994 1.00 72.33 C ATOM 480 CG GLU A 31 -0.539 -12.427 -7.118 1.00 73.14 C ATOM 481 CD GLU A 31 -0.892 -13.275 -8.320 1.00 13.41 C ATOM 482 OE1 GLU A 31 -1.622 -12.787 -9.207 1.00 32.23 O ATOM 483 OE2 GLU A 31 -0.443 -14.437 -8.385 1.00 54.21 O ATOM 0 H GLU A 31 -3.502 -12.513 -4.481 1.00 21.54 H new ATOM 0 HA GLU A 31 -1.522 -10.575 -5.222 1.00 54.34 H new ATOM 0 HB2 GLU A 31 -1.046 -12.964 -5.111 1.00 72.33 H new ATOM 0 HB3 GLU A 31 -2.299 -13.311 -6.286 1.00 72.33 H new ATOM 0 HG2 GLU A 31 -0.481 -11.381 -7.418 1.00 73.14 H new ATOM 0 HG3 GLU A 31 0.449 -12.710 -6.754 1.00 73.14 H new ATOM 490 N ASP A 32 -3.754 -11.397 -7.521 1.00 53.32 N ATOM 491 CA ASP A 32 -4.439 -10.919 -8.710 1.00 20.11 C ATOM 492 C ASP A 32 -5.378 -9.788 -8.343 1.00 4.13 C ATOM 493 O ASP A 32 -5.410 -8.766 -9.016 1.00 63.21 O ATOM 494 CB ASP A 32 -5.217 -12.050 -9.380 1.00 12.53 C ATOM 495 CG ASP A 32 -5.893 -11.602 -10.659 1.00 74.23 C ATOM 496 OD1 ASP A 32 -5.184 -11.357 -11.656 1.00 14.12 O ATOM 497 OD2 ASP A 32 -7.138 -11.517 -10.681 1.00 71.22 O ATOM 0 H ASP A 32 -3.985 -12.355 -7.257 1.00 53.32 H new ATOM 0 HA ASP A 32 -3.693 -10.553 -9.415 1.00 20.11 H new ATOM 0 HB2 ASP A 32 -4.539 -12.875 -9.599 1.00 12.53 H new ATOM 0 HB3 ASP A 32 -5.968 -12.431 -8.688 1.00 12.53 H new ATOM 502 N PHE A 33 -6.113 -9.973 -7.249 1.00 15.33 N ATOM 503 CA PHE A 33 -7.031 -8.956 -6.749 1.00 61.43 C ATOM 504 C PHE A 33 -6.327 -7.611 -6.572 1.00 13.10 C ATOM 505 O PHE A 33 -6.845 -6.573 -6.992 1.00 75.23 O ATOM 506 CB PHE A 33 -7.664 -9.417 -5.426 1.00 51.32 C ATOM 507 CG PHE A 33 -8.018 -8.298 -4.490 1.00 41.32 C ATOM 508 CD1 PHE A 33 -9.045 -7.417 -4.793 1.00 41.43 C ATOM 509 CD2 PHE A 33 -7.302 -8.113 -3.313 1.00 42.02 C ATOM 510 CE1 PHE A 33 -9.353 -6.374 -3.942 1.00 20.44 C ATOM 511 CE2 PHE A 33 -7.605 -7.067 -2.463 1.00 61.21 C ATOM 512 CZ PHE A 33 -8.634 -6.199 -2.777 1.00 51.02 C ATOM 0 H PHE A 33 -6.089 -10.825 -6.689 1.00 15.33 H new ATOM 0 HA PHE A 33 -7.821 -8.819 -7.487 1.00 61.43 H new ATOM 0 HB2 PHE A 33 -8.565 -9.989 -5.647 1.00 51.32 H new ATOM 0 HB3 PHE A 33 -6.973 -10.093 -4.922 1.00 51.32 H new ATOM 0 HD1 PHE A 33 -9.610 -7.548 -5.704 1.00 41.43 H new ATOM 0 HD2 PHE A 33 -6.502 -8.793 -3.061 1.00 42.02 H new ATOM 0 HE1 PHE A 33 -10.156 -5.695 -4.188 1.00 20.44 H new ATOM 0 HE2 PHE A 33 -7.039 -6.928 -1.554 1.00 61.21 H new ATOM 0 HZ PHE A 33 -8.875 -5.384 -2.111 1.00 51.02 H new ATOM 522 N ARG A 34 -5.142 -7.632 -5.964 1.00 22.12 N ATOM 523 CA ARG A 34 -4.411 -6.401 -5.704 1.00 50.45 C ATOM 524 C ARG A 34 -4.091 -5.683 -6.999 1.00 25.13 C ATOM 525 O ARG A 34 -4.502 -4.538 -7.200 1.00 72.33 O ATOM 526 CB ARG A 34 -3.106 -6.660 -4.959 1.00 10.34 C ATOM 527 CG ARG A 34 -2.407 -5.381 -4.537 1.00 33.34 C ATOM 528 CD ARG A 34 -2.950 -4.858 -3.211 1.00 53.30 C ATOM 529 NE ARG A 34 -2.572 -5.723 -2.085 1.00 73.00 N ATOM 530 CZ ARG A 34 -3.021 -5.571 -0.832 1.00 13.45 C ATOM 531 NH1 ARG A 34 -3.913 -4.629 -0.547 1.00 14.30 N ATOM 532 NH2 ARG A 34 -2.578 -6.373 0.135 1.00 11.30 N ATOM 0 H ARG A 34 -4.674 -8.481 -5.646 1.00 22.12 H new ATOM 0 HA ARG A 34 -5.056 -5.782 -5.081 1.00 50.45 H new ATOM 0 HB2 ARG A 34 -3.311 -7.265 -4.076 1.00 10.34 H new ATOM 0 HB3 ARG A 34 -2.438 -7.241 -5.596 1.00 10.34 H new ATOM 0 HG2 ARG A 34 -1.336 -5.563 -4.446 1.00 33.34 H new ATOM 0 HG3 ARG A 34 -2.537 -4.623 -5.309 1.00 33.34 H new ATOM 0 HD2 ARG A 34 -2.574 -3.850 -3.037 1.00 53.30 H new ATOM 0 HD3 ARG A 34 -4.036 -4.788 -3.266 1.00 53.30 H new ATOM 0 HE ARG A 34 -1.925 -6.490 -2.270 1.00 73.00 H new ATOM 0 HH11 ARG A 34 -4.260 -4.016 -1.284 1.00 14.30 H new ATOM 0 HH12 ARG A 34 -4.251 -4.519 0.409 1.00 14.30 H new ATOM 0 HH21 ARG A 34 -1.897 -7.102 -0.079 1.00 11.30 H new ATOM 0 HH22 ARG A 34 -2.919 -6.258 1.089 1.00 11.30 H new ATOM 546 N ARG A 35 -3.359 -6.350 -7.883 1.00 53.11 N ATOM 547 CA ARG A 35 -2.943 -5.709 -9.118 1.00 72.21 C ATOM 548 C ARG A 35 -4.146 -5.373 -9.986 1.00 33.22 C ATOM 549 O ARG A 35 -4.158 -4.340 -10.636 1.00 1.01 O ATOM 550 CB ARG A 35 -1.921 -6.549 -9.895 1.00 40.04 C ATOM 551 CG ARG A 35 -2.295 -8.008 -10.093 1.00 24.14 C ATOM 552 CD ARG A 35 -1.331 -8.679 -11.058 1.00 3.04 C ATOM 553 NE ARG A 35 -1.329 -10.138 -10.941 1.00 13.13 N ATOM 554 CZ ARG A 35 -0.735 -10.947 -11.819 1.00 34.20 C ATOM 555 NH1 ARG A 35 -0.214 -10.456 -12.937 1.00 14.44 N ATOM 556 NH2 ARG A 35 -0.680 -12.248 -11.585 1.00 11.42 N ATOM 0 H ARG A 35 -3.048 -7.315 -7.770 1.00 53.11 H new ATOM 0 HA ARG A 35 -2.445 -4.779 -8.843 1.00 72.21 H new ATOM 0 HB2 ARG A 35 -1.770 -6.094 -10.874 1.00 40.04 H new ATOM 0 HB3 ARG A 35 -0.966 -6.504 -9.372 1.00 40.04 H new ATOM 0 HG2 ARG A 35 -2.279 -8.527 -9.135 1.00 24.14 H new ATOM 0 HG3 ARG A 35 -3.312 -8.080 -10.478 1.00 24.14 H new ATOM 0 HD2 ARG A 35 -1.595 -8.402 -12.079 1.00 3.04 H new ATOM 0 HD3 ARG A 35 -0.324 -8.304 -10.877 1.00 3.04 H new ATOM 0 HE ARG A 35 -1.808 -10.559 -10.145 1.00 13.13 H new ATOM 0 HH11 ARG A 35 -0.267 -9.455 -13.128 1.00 14.44 H new ATOM 0 HH12 ARG A 35 0.239 -11.079 -13.605 1.00 14.44 H new ATOM 0 HH21 ARG A 35 -1.092 -12.631 -10.734 1.00 11.42 H new ATOM 0 HH22 ARG A 35 -0.226 -12.868 -12.256 1.00 11.42 H new ATOM 570 N ARG A 36 -5.167 -6.224 -9.951 1.00 2.44 N ATOM 571 CA ARG A 36 -6.369 -6.025 -10.752 1.00 10.41 C ATOM 572 C ARG A 36 -7.057 -4.717 -10.378 1.00 43.44 C ATOM 573 O ARG A 36 -7.094 -3.782 -11.174 1.00 24.00 O ATOM 574 CB ARG A 36 -7.341 -7.188 -10.548 1.00 33.34 C ATOM 575 CG ARG A 36 -8.243 -7.461 -11.739 1.00 34.01 C ATOM 576 CD ARG A 36 -7.449 -7.974 -12.927 1.00 54.24 C ATOM 577 NE ARG A 36 -8.308 -8.592 -13.935 1.00 30.15 N ATOM 578 CZ ARG A 36 -8.375 -9.908 -14.140 1.00 44.20 C ATOM 579 NH1 ARG A 36 -7.648 -10.741 -13.404 1.00 64.54 N ATOM 580 NH2 ARG A 36 -9.169 -10.394 -15.083 1.00 13.15 N ATOM 0 H ARG A 36 -5.185 -7.064 -9.372 1.00 2.44 H new ATOM 0 HA ARG A 36 -6.073 -5.981 -11.800 1.00 10.41 H new ATOM 0 HB2 ARG A 36 -6.770 -8.089 -10.325 1.00 33.34 H new ATOM 0 HB3 ARG A 36 -7.962 -6.980 -9.676 1.00 33.34 H new ATOM 0 HG2 ARG A 36 -9.002 -8.193 -11.463 1.00 34.01 H new ATOM 0 HG3 ARG A 36 -8.768 -6.547 -12.017 1.00 34.01 H new ATOM 0 HD2 ARG A 36 -6.897 -7.149 -13.378 1.00 54.24 H new ATOM 0 HD3 ARG A 36 -6.712 -8.700 -12.584 1.00 54.24 H new ATOM 0 HE ARG A 36 -8.888 -7.984 -14.513 1.00 30.15 H new ATOM 0 HH11 ARG A 36 -7.034 -10.375 -12.677 1.00 64.54 H new ATOM 0 HH12 ARG A 36 -7.704 -11.746 -13.566 1.00 64.54 H new ATOM 0 HH21 ARG A 36 -9.730 -9.761 -15.653 1.00 13.15 H new ATOM 0 HH22 ARG A 36 -9.219 -11.401 -15.239 1.00 13.15 H new ATOM 594 N ALA A 37 -7.568 -4.645 -9.149 1.00 54.23 N ATOM 595 CA ALA A 37 -8.336 -3.487 -8.706 1.00 71.23 C ATOM 596 C ALA A 37 -7.537 -2.197 -8.854 1.00 63.53 C ATOM 597 O ALA A 37 -8.054 -1.183 -9.325 1.00 42.31 O ATOM 598 CB ALA A 37 -8.776 -3.674 -7.265 1.00 41.21 C ATOM 0 H ALA A 37 -7.463 -5.375 -8.445 1.00 54.23 H new ATOM 0 HA ALA A 37 -9.218 -3.405 -9.341 1.00 71.23 H new ATOM 0 HB1 ALA A 37 -9.349 -2.804 -6.944 1.00 41.21 H new ATOM 0 HB2 ALA A 37 -9.397 -4.566 -7.187 1.00 41.21 H new ATOM 0 HB3 ALA A 37 -7.898 -3.786 -6.628 1.00 41.21 H new ATOM 604 N LEU A 38 -6.270 -2.249 -8.474 1.00 43.11 N ATOM 605 CA LEU A 38 -5.413 -1.072 -8.512 1.00 71.15 C ATOM 606 C LEU A 38 -5.118 -0.638 -9.948 1.00 50.05 C ATOM 607 O LEU A 38 -5.367 0.512 -10.322 1.00 43.22 O ATOM 608 CB LEU A 38 -4.108 -1.336 -7.750 1.00 53.25 C ATOM 609 CG LEU A 38 -4.164 -1.118 -6.226 1.00 71.23 C ATOM 610 CD1 LEU A 38 -5.315 -1.888 -5.592 1.00 42.31 C ATOM 611 CD2 LEU A 38 -2.842 -1.525 -5.593 1.00 63.30 C ATOM 0 H LEU A 38 -5.811 -3.094 -8.135 1.00 43.11 H new ATOM 0 HA LEU A 38 -5.946 -0.256 -8.024 1.00 71.15 H new ATOM 0 HB2 LEU A 38 -3.801 -2.364 -7.940 1.00 53.25 H new ATOM 0 HB3 LEU A 38 -3.332 -0.690 -8.162 1.00 53.25 H new ATOM 0 HG LEU A 38 -4.338 -0.057 -6.044 1.00 71.23 H new ATOM 0 HD11 LEU A 38 -5.323 -1.710 -4.517 1.00 42.31 H new ATOM 0 HD12 LEU A 38 -6.258 -1.552 -6.022 1.00 42.31 H new ATOM 0 HD13 LEU A 38 -5.188 -2.954 -5.783 1.00 42.31 H new ATOM 0 HD21 LEU A 38 -2.891 -1.367 -4.516 1.00 63.30 H new ATOM 0 HD22 LEU A 38 -2.650 -2.578 -5.797 1.00 63.30 H new ATOM 0 HD23 LEU A 38 -2.037 -0.921 -6.012 1.00 63.30 H new ATOM 623 N THR A 39 -4.628 -1.560 -10.769 1.00 61.44 N ATOM 624 CA THR A 39 -4.217 -1.223 -12.129 1.00 14.43 C ATOM 625 C THR A 39 -5.417 -0.751 -12.951 1.00 74.55 C ATOM 626 O THR A 39 -5.274 -0.094 -13.985 1.00 15.33 O ATOM 627 CB THR A 39 -3.527 -2.424 -12.814 1.00 64.45 C ATOM 628 OG1 THR A 39 -2.648 -1.967 -13.845 1.00 3.00 O ATOM 629 CG2 THR A 39 -4.544 -3.386 -13.406 1.00 53.33 C ATOM 0 H THR A 39 -4.506 -2.541 -10.520 1.00 61.44 H new ATOM 0 HA THR A 39 -3.495 -0.408 -12.071 1.00 14.43 H new ATOM 0 HB THR A 39 -2.955 -2.954 -12.052 1.00 64.45 H new ATOM 0 HG1 THR A 39 -2.215 -2.736 -14.271 1.00 3.00 H new ATOM 0 HG21 THR A 39 -4.024 -4.219 -13.880 1.00 53.33 H new ATOM 0 HG22 THR A 39 -5.190 -3.765 -12.614 1.00 53.33 H new ATOM 0 HG23 THR A 39 -5.148 -2.865 -14.149 1.00 53.33 H new ATOM 637 N VAL A 40 -6.600 -1.079 -12.462 1.00 11.33 N ATOM 638 CA VAL A 40 -7.841 -0.673 -13.086 1.00 1.43 C ATOM 639 C VAL A 40 -8.215 0.763 -12.718 1.00 43.53 C ATOM 640 O VAL A 40 -8.612 1.545 -13.586 1.00 53.12 O ATOM 641 CB VAL A 40 -8.964 -1.640 -12.671 1.00 12.21 C ATOM 642 CG1 VAL A 40 -10.344 -1.020 -12.860 1.00 53.42 C ATOM 643 CG2 VAL A 40 -8.861 -2.939 -13.456 1.00 1.12 C ATOM 0 H VAL A 40 -6.724 -1.637 -11.617 1.00 11.33 H new ATOM 0 HA VAL A 40 -7.707 -0.708 -14.167 1.00 1.43 H new ATOM 0 HB VAL A 40 -8.838 -1.851 -11.609 1.00 12.21 H new ATOM 0 HG11 VAL A 40 -11.109 -1.735 -12.556 1.00 53.42 H new ATOM 0 HG12 VAL A 40 -10.425 -0.120 -12.250 1.00 53.42 H new ATOM 0 HG13 VAL A 40 -10.486 -0.761 -13.909 1.00 53.42 H new ATOM 0 HG21 VAL A 40 -9.662 -3.613 -13.151 1.00 1.12 H new ATOM 0 HG22 VAL A 40 -8.950 -2.728 -14.522 1.00 1.12 H new ATOM 0 HG23 VAL A 40 -7.897 -3.408 -13.258 1.00 1.12 H new ATOM 653 N VAL A 41 -8.074 1.121 -11.440 1.00 51.52 N ATOM 654 CA VAL A 41 -8.364 2.488 -11.004 1.00 13.52 C ATOM 655 C VAL A 41 -7.289 3.445 -11.504 1.00 1.04 C ATOM 656 O VAL A 41 -7.390 4.655 -11.288 1.00 30.13 O ATOM 657 CB VAL A 41 -8.503 2.610 -9.467 1.00 12.12 C ATOM 658 CG1 VAL A 41 -9.602 1.695 -8.953 1.00 64.12 C ATOM 659 CG2 VAL A 41 -7.184 2.318 -8.768 1.00 20.15 C ATOM 0 H VAL A 41 -7.765 0.493 -10.698 1.00 51.52 H new ATOM 0 HA VAL A 41 -9.327 2.757 -11.438 1.00 13.52 H new ATOM 0 HB VAL A 41 -8.779 3.639 -9.237 1.00 12.12 H new ATOM 0 HG11 VAL A 41 -9.683 1.796 -7.871 1.00 64.12 H new ATOM 0 HG12 VAL A 41 -10.550 1.970 -9.415 1.00 64.12 H new ATOM 0 HG13 VAL A 41 -9.362 0.662 -9.204 1.00 64.12 H new ATOM 0 HG21 VAL A 41 -7.315 2.412 -7.690 1.00 20.15 H new ATOM 0 HG22 VAL A 41 -6.862 1.305 -9.007 1.00 20.15 H new ATOM 0 HG23 VAL A 41 -6.429 3.028 -9.105 1.00 20.15 H new ATOM 669 N ASP A 42 -6.268 2.851 -12.143 1.00 54.34 N ATOM 670 CA ASP A 42 -5.196 3.552 -12.869 1.00 41.20 C ATOM 671 C ASP A 42 -3.944 3.548 -12.019 1.00 0.32 C ATOM 672 O ASP A 42 -3.832 4.276 -11.035 1.00 35.12 O ATOM 673 CB ASP A 42 -5.590 4.967 -13.296 1.00 63.41 C ATOM 674 CG ASP A 42 -4.874 5.424 -14.550 1.00 60.54 C ATOM 675 OD1 ASP A 42 -5.163 4.865 -15.630 1.00 25.22 O ATOM 676 OD2 ASP A 42 -4.062 6.363 -14.471 1.00 20.24 O ATOM 0 H ASP A 42 -6.162 1.837 -12.169 1.00 54.34 H new ATOM 0 HA ASP A 42 -5.006 3.017 -13.799 1.00 41.20 H new ATOM 0 HB2 ASP A 42 -6.666 5.004 -13.464 1.00 63.41 H new ATOM 0 HB3 ASP A 42 -5.370 5.661 -12.485 1.00 63.41 H new ATOM 681 N GLN A 43 -3.013 2.697 -12.408 1.00 64.51 N ATOM 682 CA GLN A 43 -1.942 2.280 -11.523 1.00 73.52 C ATOM 683 C GLN A 43 -0.654 2.057 -12.306 1.00 1.44 C ATOM 684 O GLN A 43 0.425 2.473 -11.889 1.00 24.33 O ATOM 685 CB GLN A 43 -2.416 0.987 -10.858 1.00 21.51 C ATOM 686 CG GLN A 43 -1.617 0.465 -9.682 1.00 25.22 C ATOM 687 CD GLN A 43 -0.373 -0.305 -10.093 1.00 3.32 C ATOM 688 OE1 GLN A 43 0.714 0.250 -10.214 1.00 64.32 O ATOM 689 NE2 GLN A 43 -0.533 -1.600 -10.321 1.00 30.04 N ATOM 0 H GLN A 43 -2.977 2.279 -13.338 1.00 64.51 H new ATOM 0 HA GLN A 43 -1.722 3.043 -10.776 1.00 73.52 H new ATOM 0 HB2 GLN A 43 -3.443 1.138 -10.525 1.00 21.51 H new ATOM 0 HB3 GLN A 43 -2.440 0.208 -11.620 1.00 21.51 H new ATOM 0 HG2 GLN A 43 -1.324 1.303 -9.050 1.00 25.22 H new ATOM 0 HG3 GLN A 43 -2.253 -0.182 -9.078 1.00 25.22 H new ATOM 0 HE21 GLN A 43 -1.452 -2.028 -10.210 1.00 30.04 H new ATOM 0 HE22 GLN A 43 0.263 -2.170 -10.607 1.00 30.04 H new ATOM 698 N ASP A 44 -0.779 1.422 -13.466 1.00 73.33 N ATOM 699 CA ASP A 44 0.393 1.042 -14.245 1.00 73.14 C ATOM 700 C ASP A 44 0.496 1.744 -15.633 1.00 32.43 C ATOM 701 O ASP A 44 1.158 1.215 -16.523 1.00 1.12 O ATOM 702 CB ASP A 44 0.377 -0.486 -14.408 1.00 74.33 C ATOM 703 CG ASP A 44 1.671 -1.057 -14.955 1.00 44.24 C ATOM 704 OD1 ASP A 44 2.752 -0.691 -14.446 1.00 62.02 O ATOM 705 OD2 ASP A 44 1.614 -1.904 -15.878 1.00 32.03 O ATOM 0 H ASP A 44 -1.672 1.161 -13.885 1.00 73.33 H new ATOM 0 HA ASP A 44 1.276 1.376 -13.700 1.00 73.14 H new ATOM 0 HB2 ASP A 44 0.169 -0.943 -13.440 1.00 74.33 H new ATOM 0 HB3 ASP A 44 -0.441 -0.763 -15.073 1.00 74.33 H new ATOM 710 N PRO A 45 -0.109 2.948 -15.874 1.00 0.44 N ATOM 711 CA PRO A 45 0.120 3.680 -17.136 1.00 45.01 C ATOM 712 C PRO A 45 1.526 4.281 -17.235 1.00 12.34 C ATOM 713 O PRO A 45 1.809 5.075 -18.135 1.00 10.54 O ATOM 714 CB PRO A 45 -0.919 4.810 -17.135 1.00 60.15 C ATOM 715 CG PRO A 45 -1.861 4.502 -16.031 1.00 25.01 C ATOM 716 CD PRO A 45 -1.091 3.654 -15.030 1.00 43.54 C ATOM 0 HA PRO A 45 0.028 3.001 -17.984 1.00 45.01 H new ATOM 0 HB2 PRO A 45 -0.442 5.778 -16.982 1.00 60.15 H new ATOM 0 HB3 PRO A 45 -1.441 4.860 -18.090 1.00 60.15 H new ATOM 0 HG2 PRO A 45 -2.225 5.418 -15.565 1.00 25.01 H new ATOM 0 HG3 PRO A 45 -2.734 3.966 -16.404 1.00 25.01 H new ATOM 0 HD2 PRO A 45 -0.604 4.268 -14.272 1.00 43.54 H new ATOM 0 HD3 PRO A 45 -1.745 2.958 -14.504 1.00 43.54 H new ATOM 724 N GLY A 46 2.398 3.922 -16.302 1.00 73.21 N ATOM 725 CA GLY A 46 3.769 4.384 -16.351 1.00 73.32 C ATOM 726 C GLY A 46 4.028 5.547 -15.415 1.00 51.14 C ATOM 727 O GLY A 46 4.610 5.372 -14.344 1.00 54.11 O ATOM 0 H GLY A 46 2.178 3.317 -15.510 1.00 73.21 H new ATOM 0 HA2 GLY A 46 4.435 3.560 -16.094 1.00 73.32 H new ATOM 0 HA3 GLY A 46 4.011 4.683 -17.371 1.00 73.32 H new ATOM 731 N GLN A 47 3.594 6.735 -15.813 1.00 4.31 N ATOM 732 CA GLN A 47 3.794 7.926 -15.000 1.00 34.41 C ATOM 733 C GLN A 47 2.504 8.296 -14.279 1.00 44.51 C ATOM 734 O GLN A 47 1.563 8.805 -14.888 1.00 23.14 O ATOM 735 CB GLN A 47 4.283 9.094 -15.861 1.00 22.53 C ATOM 736 CG GLN A 47 4.622 10.342 -15.060 1.00 13.54 C ATOM 737 CD GLN A 47 5.292 11.409 -15.901 1.00 31.42 C ATOM 738 OE1 GLN A 47 6.514 11.435 -16.026 1.00 42.15 O ATOM 739 NE2 GLN A 47 4.504 12.306 -16.470 1.00 32.13 N ATOM 0 H GLN A 47 3.102 6.899 -16.692 1.00 4.31 H new ATOM 0 HA GLN A 47 4.559 7.710 -14.255 1.00 34.41 H new ATOM 0 HB2 GLN A 47 5.166 8.779 -16.418 1.00 22.53 H new ATOM 0 HB3 GLN A 47 3.515 9.341 -16.594 1.00 22.53 H new ATOM 0 HG2 GLN A 47 3.710 10.748 -14.624 1.00 13.54 H new ATOM 0 HG3 GLN A 47 5.278 10.071 -14.233 1.00 13.54 H new ATOM 0 HE21 GLN A 47 3.493 12.251 -16.343 1.00 32.13 H new ATOM 0 HE22 GLN A 47 4.907 13.053 -17.036 1.00 32.13 H new ATOM 748 N VAL A 48 2.466 8.013 -12.987 1.00 62.31 N ATOM 749 CA VAL A 48 1.299 8.287 -12.164 1.00 53.43 C ATOM 750 C VAL A 48 1.735 8.576 -10.728 1.00 20.31 C ATOM 751 O VAL A 48 2.725 8.016 -10.256 1.00 2.45 O ATOM 752 CB VAL A 48 0.310 7.092 -12.200 1.00 30.41 C ATOM 753 CG1 VAL A 48 0.990 5.808 -11.749 1.00 63.10 C ATOM 754 CG2 VAL A 48 -0.922 7.368 -11.354 1.00 35.45 C ATOM 0 H VAL A 48 3.242 7.588 -12.480 1.00 62.31 H new ATOM 0 HA VAL A 48 0.787 9.163 -12.563 1.00 53.43 H new ATOM 0 HB VAL A 48 -0.013 6.965 -13.233 1.00 30.41 H new ATOM 0 HG11 VAL A 48 0.275 4.986 -11.784 1.00 63.10 H new ATOM 0 HG12 VAL A 48 1.828 5.588 -12.411 1.00 63.10 H new ATOM 0 HG13 VAL A 48 1.355 5.929 -10.729 1.00 63.10 H new ATOM 0 HG21 VAL A 48 -1.595 6.512 -11.401 1.00 35.45 H new ATOM 0 HG22 VAL A 48 -0.623 7.538 -10.320 1.00 35.45 H new ATOM 0 HG23 VAL A 48 -1.434 8.252 -11.734 1.00 35.45 H new ATOM 764 N GLU A 49 1.023 9.477 -10.058 1.00 44.21 N ATOM 765 CA GLU A 49 1.322 9.826 -8.676 1.00 13.04 C ATOM 766 C GLU A 49 0.307 9.181 -7.740 1.00 1.34 C ATOM 767 O GLU A 49 -0.883 9.508 -7.765 1.00 61.52 O ATOM 768 CB GLU A 49 1.323 11.347 -8.500 1.00 1.22 C ATOM 769 CG GLU A 49 1.493 11.801 -7.059 1.00 13.03 C ATOM 770 CD GLU A 49 1.545 13.309 -6.929 1.00 22.22 C ATOM 771 OE1 GLU A 49 0.567 13.984 -7.311 1.00 34.52 O ATOM 772 OE2 GLU A 49 2.574 13.828 -6.459 1.00 60.15 O ATOM 0 H GLU A 49 0.230 9.981 -10.455 1.00 44.21 H new ATOM 0 HA GLU A 49 2.314 9.450 -8.426 1.00 13.04 H new ATOM 0 HB2 GLU A 49 2.127 11.772 -9.102 1.00 1.22 H new ATOM 0 HB3 GLU A 49 0.387 11.748 -8.889 1.00 1.22 H new ATOM 0 HG2 GLU A 49 0.667 11.416 -6.460 1.00 13.03 H new ATOM 0 HG3 GLU A 49 2.409 11.373 -6.652 1.00 13.03 H new ATOM 779 N TRP A 50 0.773 8.267 -6.912 1.00 22.25 N ATOM 780 CA TRP A 50 -0.128 7.524 -6.055 1.00 31.41 C ATOM 781 C TRP A 50 0.608 6.924 -4.878 1.00 35.41 C ATOM 782 O TRP A 50 1.835 6.992 -4.797 1.00 24.44 O ATOM 783 CB TRP A 50 -0.839 6.427 -6.855 1.00 24.43 C ATOM 784 CG TRP A 50 0.048 5.334 -7.375 1.00 24.21 C ATOM 785 CD1 TRP A 50 0.990 5.436 -8.353 1.00 50.34 C ATOM 786 CD2 TRP A 50 0.042 3.962 -6.963 1.00 44.01 C ATOM 787 NE1 TRP A 50 1.582 4.215 -8.568 1.00 1.13 N ATOM 788 CE2 TRP A 50 1.019 3.293 -7.724 1.00 50.42 C ATOM 789 CE3 TRP A 50 -0.684 3.234 -6.015 1.00 51.34 C ATOM 790 CZ2 TRP A 50 1.282 1.934 -7.571 1.00 15.43 C ATOM 791 CZ3 TRP A 50 -0.424 1.885 -5.866 1.00 74.51 C ATOM 792 CH2 TRP A 50 0.554 1.248 -6.640 1.00 41.52 C ATOM 0 H TRP A 50 1.759 8.023 -6.815 1.00 22.25 H new ATOM 0 HA TRP A 50 -0.874 8.218 -5.667 1.00 31.41 H new ATOM 0 HB2 TRP A 50 -1.607 5.980 -6.224 1.00 24.43 H new ATOM 0 HB3 TRP A 50 -1.350 6.890 -7.699 1.00 24.43 H new ATOM 0 HD1 TRP A 50 1.236 6.345 -8.883 1.00 50.34 H new ATOM 0 HE1 TRP A 50 2.320 4.025 -9.246 1.00 1.13 H new ATOM 0 HE3 TRP A 50 -1.436 3.718 -5.409 1.00 51.34 H new ATOM 0 HZ2 TRP A 50 2.035 1.440 -8.167 1.00 15.43 H new ATOM 0 HZ3 TRP A 50 -0.984 1.313 -5.141 1.00 74.51 H new ATOM 0 HH2 TRP A 50 0.737 0.193 -6.498 1.00 41.52 H new ATOM 803 N PHE A 51 -0.144 6.364 -3.950 1.00 65.14 N ATOM 804 CA PHE A 51 0.448 5.642 -2.850 1.00 22.25 C ATOM 805 C PHE A 51 -0.588 4.822 -2.109 1.00 65.00 C ATOM 806 O PHE A 51 -1.789 5.100 -2.173 1.00 55.12 O ATOM 807 CB PHE A 51 1.176 6.597 -1.895 1.00 13.33 C ATOM 808 CG PHE A 51 0.307 7.562 -1.130 1.00 23.04 C ATOM 809 CD1 PHE A 51 -0.325 7.173 0.044 1.00 10.02 C ATOM 810 CD2 PHE A 51 0.165 8.871 -1.556 1.00 22.25 C ATOM 811 CE1 PHE A 51 -1.076 8.070 0.774 1.00 22.30 C ATOM 812 CE2 PHE A 51 -0.593 9.773 -0.833 1.00 13.32 C ATOM 813 CZ PHE A 51 -1.212 9.373 0.336 1.00 50.34 C ATOM 0 H PHE A 51 -1.163 6.397 -3.939 1.00 65.14 H new ATOM 0 HA PHE A 51 1.183 4.952 -3.264 1.00 22.25 H new ATOM 0 HB2 PHE A 51 1.740 6.001 -1.178 1.00 13.33 H new ATOM 0 HB3 PHE A 51 1.901 7.172 -2.471 1.00 13.33 H new ATOM 0 HD1 PHE A 51 -0.227 6.155 0.390 1.00 10.02 H new ATOM 0 HD2 PHE A 51 0.653 9.192 -2.465 1.00 22.25 H new ATOM 0 HE1 PHE A 51 -1.558 7.754 1.688 1.00 22.30 H new ATOM 0 HE2 PHE A 51 -0.701 10.789 -1.181 1.00 13.32 H new ATOM 0 HZ PHE A 51 -1.800 10.077 0.906 1.00 50.34 H new ATOM 823 N VAL A 52 -0.117 3.799 -1.419 1.00 12.13 N ATOM 824 CA VAL A 52 -0.985 2.958 -0.620 1.00 13.53 C ATOM 825 C VAL A 52 -0.683 3.160 0.857 1.00 32.52 C ATOM 826 O VAL A 52 0.471 3.347 1.246 1.00 71.13 O ATOM 827 CB VAL A 52 -0.858 1.461 -0.993 1.00 52.20 C ATOM 828 CG1 VAL A 52 -1.340 1.224 -2.418 1.00 61.40 C ATOM 829 CG2 VAL A 52 0.572 0.971 -0.828 1.00 51.10 C ATOM 0 H VAL A 52 0.867 3.531 -1.397 1.00 12.13 H new ATOM 0 HA VAL A 52 -2.013 3.255 -0.829 1.00 13.53 H new ATOM 0 HB VAL A 52 -1.489 0.891 -0.310 1.00 52.20 H new ATOM 0 HG11 VAL A 52 -1.244 0.166 -2.664 1.00 61.40 H new ATOM 0 HG12 VAL A 52 -2.385 1.523 -2.503 1.00 61.40 H new ATOM 0 HG13 VAL A 52 -0.737 1.813 -3.109 1.00 61.40 H new ATOM 0 HG21 VAL A 52 0.629 -0.084 -1.098 1.00 51.10 H new ATOM 0 HG22 VAL A 52 1.231 1.547 -1.477 1.00 51.10 H new ATOM 0 HG23 VAL A 52 0.883 1.098 0.209 1.00 51.10 H new ATOM 839 N LEU A 53 -1.718 3.141 1.674 1.00 0.22 N ATOM 840 CA LEU A 53 -1.567 3.433 3.090 1.00 52.12 C ATOM 841 C LEU A 53 -2.388 2.469 3.930 1.00 32.15 C ATOM 842 O LEU A 53 -3.084 1.611 3.392 1.00 54.32 O ATOM 843 CB LEU A 53 -1.967 4.884 3.407 1.00 64.21 C ATOM 844 CG LEU A 53 -3.447 5.241 3.215 1.00 52.42 C ATOM 845 CD1 LEU A 53 -3.764 6.547 3.925 1.00 25.24 C ATOM 846 CD2 LEU A 53 -3.799 5.359 1.741 1.00 12.21 C ATOM 0 H LEU A 53 -2.672 2.927 1.384 1.00 0.22 H new ATOM 0 HA LEU A 53 -0.514 3.307 3.341 1.00 52.12 H new ATOM 0 HB2 LEU A 53 -1.696 5.095 4.442 1.00 64.21 H new ATOM 0 HB3 LEU A 53 -1.371 5.547 2.780 1.00 64.21 H new ATOM 0 HG LEU A 53 -4.045 4.438 3.646 1.00 52.42 H new ATOM 0 HD11 LEU A 53 -4.817 6.792 3.783 1.00 25.24 H new ATOM 0 HD12 LEU A 53 -3.556 6.442 4.990 1.00 25.24 H new ATOM 0 HD13 LEU A 53 -3.147 7.345 3.512 1.00 25.24 H new ATOM 0 HD21 LEU A 53 -4.854 5.613 1.638 1.00 12.21 H new ATOM 0 HD22 LEU A 53 -3.192 6.140 1.283 1.00 12.21 H new ATOM 0 HD23 LEU A 53 -3.604 4.409 1.243 1.00 12.21 H new ATOM 858 N ASN A 54 -2.272 2.576 5.247 1.00 22.30 N ATOM 859 CA ASN A 54 -3.119 1.790 6.139 1.00 25.22 C ATOM 860 C ASN A 54 -4.515 2.393 6.228 1.00 31.13 C ATOM 861 O ASN A 54 -4.704 3.590 6.009 1.00 61.03 O ATOM 862 CB ASN A 54 -2.518 1.679 7.550 1.00 45.25 C ATOM 863 CG ASN A 54 -2.656 2.948 8.376 1.00 52.01 C ATOM 864 OD1 ASN A 54 -1.775 3.801 8.368 1.00 33.43 O ATOM 865 ND2 ASN A 54 -3.751 3.064 9.115 1.00 32.42 N ATOM 0 H ASN A 54 -1.609 3.191 5.719 1.00 22.30 H new ATOM 0 HA ASN A 54 -3.183 0.788 5.715 1.00 25.22 H new ATOM 0 HB2 ASN A 54 -3.003 0.858 8.078 1.00 45.25 H new ATOM 0 HB3 ASN A 54 -1.462 1.424 7.466 1.00 45.25 H new ATOM 0 HD21 ASN A 54 -3.883 3.886 9.705 1.00 32.42 H new ATOM 0 HD22 ASN A 54 -4.461 2.332 9.093 1.00 32.42 H new ATOM 872 N ALA A 55 -5.492 1.554 6.541 1.00 40.22 N ATOM 873 CA ALA A 55 -6.854 2.024 6.743 1.00 13.33 C ATOM 874 C ALA A 55 -7.056 2.439 8.196 1.00 4.41 C ATOM 875 O ALA A 55 -7.152 3.626 8.499 1.00 14.13 O ATOM 876 CB ALA A 55 -7.860 0.955 6.349 1.00 34.30 C ATOM 0 H ALA A 55 -5.368 0.549 6.660 1.00 40.22 H new ATOM 0 HA ALA A 55 -7.017 2.892 6.104 1.00 13.33 H new ATOM 0 HB1 ALA A 55 -8.871 1.330 6.509 1.00 34.30 H new ATOM 0 HB2 ALA A 55 -7.729 0.702 5.297 1.00 34.30 H new ATOM 0 HB3 ALA A 55 -7.703 0.065 6.958 1.00 34.30 H new ATOM 882 N GLU A 56 -7.090 1.458 9.095 1.00 3.41 N ATOM 883 CA GLU A 56 -7.233 1.732 10.522 1.00 30.15 C ATOM 884 C GLU A 56 -6.452 0.735 11.365 1.00 62.32 C ATOM 885 O GLU A 56 -5.538 1.117 12.090 1.00 75.54 O ATOM 886 CB GLU A 56 -8.704 1.728 10.940 1.00 34.35 C ATOM 887 CG GLU A 56 -9.284 3.123 11.087 1.00 50.11 C ATOM 888 CD GLU A 56 -8.506 3.966 12.077 1.00 43.30 C ATOM 889 OE1 GLU A 56 -8.695 3.782 13.296 1.00 32.04 O ATOM 890 OE2 GLU A 56 -7.694 4.810 11.641 1.00 73.40 O ATOM 0 H GLU A 56 -7.021 0.468 8.861 1.00 3.41 H new ATOM 0 HA GLU A 56 -6.821 2.726 10.698 1.00 30.15 H new ATOM 0 HB2 GLU A 56 -9.284 1.176 10.201 1.00 34.35 H new ATOM 0 HB3 GLU A 56 -8.805 1.197 11.887 1.00 34.35 H new ATOM 0 HG2 GLU A 56 -9.287 3.617 10.116 1.00 50.11 H new ATOM 0 HG3 GLU A 56 -10.322 3.051 11.411 1.00 50.11 H new ATOM 897 N SER A 57 -6.806 -0.535 11.269 1.00 32.14 N ATOM 898 CA SER A 57 -6.142 -1.567 12.044 1.00 14.44 C ATOM 899 C SER A 57 -5.024 -2.192 11.209 1.00 15.23 C ATOM 900 O SER A 57 -3.842 -2.045 11.521 1.00 11.24 O ATOM 901 CB SER A 57 -7.158 -2.633 12.458 1.00 50.23 C ATOM 902 OG SER A 57 -8.422 -2.051 12.752 1.00 4.13 O ATOM 0 H SER A 57 -7.551 -0.876 10.661 1.00 32.14 H new ATOM 0 HA SER A 57 -5.708 -1.129 12.943 1.00 14.44 H new ATOM 0 HB2 SER A 57 -7.269 -3.364 11.657 1.00 50.23 H new ATOM 0 HB3 SER A 57 -6.790 -3.170 13.332 1.00 50.23 H new ATOM 0 HG SER A 57 -8.965 -2.020 11.937 1.00 4.13 H new ATOM 908 N ASN A 58 -5.423 -2.872 10.133 1.00 14.15 N ATOM 909 CA ASN A 58 -4.490 -3.440 9.152 1.00 14.33 C ATOM 910 C ASN A 58 -3.533 -4.458 9.763 1.00 22.05 C ATOM 911 O ASN A 58 -2.435 -4.662 9.249 1.00 34.14 O ATOM 912 CB ASN A 58 -3.671 -2.333 8.478 1.00 45.15 C ATOM 913 CG ASN A 58 -4.441 -1.551 7.431 1.00 42.54 C ATOM 914 OD1 ASN A 58 -3.853 -1.024 6.497 1.00 72.55 O ATOM 915 ND2 ASN A 58 -5.750 -1.443 7.578 1.00 23.21 N ATOM 0 H ASN A 58 -6.404 -3.046 9.915 1.00 14.15 H new ATOM 0 HA ASN A 58 -5.106 -3.956 8.416 1.00 14.33 H new ATOM 0 HB2 ASN A 58 -3.312 -1.643 9.242 1.00 45.15 H new ATOM 0 HB3 ASN A 58 -2.792 -2.777 8.012 1.00 45.15 H new ATOM 0 HD21 ASN A 58 -6.297 -0.909 6.902 1.00 23.21 H new ATOM 0 HD22 ASN A 58 -6.213 -1.893 8.367 1.00 23.21 H new ATOM 922 N VAL A 59 -3.937 -5.118 10.839 1.00 23.14 N ATOM 923 CA VAL A 59 -3.050 -6.079 11.479 1.00 4.33 C ATOM 924 C VAL A 59 -3.648 -7.485 11.529 1.00 44.33 C ATOM 925 O VAL A 59 -2.919 -8.471 11.629 1.00 62.23 O ATOM 926 CB VAL A 59 -2.651 -5.642 12.901 1.00 53.24 C ATOM 927 CG1 VAL A 59 -1.797 -4.385 12.861 1.00 32.41 C ATOM 928 CG2 VAL A 59 -3.875 -5.424 13.784 1.00 72.10 C ATOM 0 H VAL A 59 -4.851 -5.010 11.279 1.00 23.14 H new ATOM 0 HA VAL A 59 -2.156 -6.108 10.856 1.00 4.33 H new ATOM 0 HB VAL A 59 -2.063 -6.449 13.337 1.00 53.24 H new ATOM 0 HG11 VAL A 59 -1.528 -4.096 13.877 1.00 32.41 H new ATOM 0 HG12 VAL A 59 -0.891 -4.579 12.287 1.00 32.41 H new ATOM 0 HG13 VAL A 59 -2.359 -3.578 12.391 1.00 32.41 H new ATOM 0 HG21 VAL A 59 -3.555 -5.117 14.780 1.00 72.10 H new ATOM 0 HG22 VAL A 59 -4.504 -4.647 13.349 1.00 72.10 H new ATOM 0 HG23 VAL A 59 -4.442 -6.352 13.855 1.00 72.10 H new ATOM 938 N GLU A 60 -4.968 -7.582 11.457 1.00 31.45 N ATOM 939 CA GLU A 60 -5.640 -8.875 11.520 1.00 61.54 C ATOM 940 C GLU A 60 -6.374 -9.116 10.223 1.00 22.21 C ATOM 941 O GLU A 60 -7.184 -10.033 10.096 1.00 71.21 O ATOM 942 CB GLU A 60 -6.633 -8.901 12.677 1.00 74.30 C ATOM 943 CG GLU A 60 -5.988 -8.742 14.043 1.00 74.34 C ATOM 944 CD GLU A 60 -7.007 -8.513 15.135 1.00 34.03 C ATOM 945 OE1 GLU A 60 -7.873 -9.386 15.338 1.00 1.32 O ATOM 946 OE2 GLU A 60 -6.952 -7.449 15.784 1.00 31.41 O ATOM 0 H GLU A 60 -5.595 -6.784 11.355 1.00 31.45 H new ATOM 0 HA GLU A 60 -4.896 -9.656 11.678 1.00 61.54 H new ATOM 0 HB2 GLU A 60 -7.363 -8.104 12.535 1.00 74.30 H new ATOM 0 HB3 GLU A 60 -7.181 -9.843 12.652 1.00 74.30 H new ATOM 0 HG2 GLU A 60 -5.406 -9.634 14.274 1.00 74.34 H new ATOM 0 HG3 GLU A 60 -5.291 -7.904 14.018 1.00 74.34 H new ATOM 953 N VAL A 61 -6.073 -8.269 9.263 1.00 33.14 N ATOM 954 CA VAL A 61 -6.809 -8.228 8.024 1.00 72.52 C ATOM 955 C VAL A 61 -5.915 -8.600 6.846 1.00 54.33 C ATOM 956 O VAL A 61 -6.357 -9.211 5.872 1.00 22.24 O ATOM 957 CB VAL A 61 -7.411 -6.818 7.819 1.00 5.23 C ATOM 958 CG1 VAL A 61 -8.188 -6.392 9.057 1.00 54.05 C ATOM 959 CG2 VAL A 61 -6.340 -5.788 7.493 1.00 52.32 C ATOM 0 H VAL A 61 -5.312 -7.592 9.322 1.00 33.14 H new ATOM 0 HA VAL A 61 -7.617 -8.958 8.076 1.00 72.52 H new ATOM 0 HB VAL A 61 -8.090 -6.871 6.968 1.00 5.23 H new ATOM 0 HG11 VAL A 61 -8.607 -5.398 8.900 1.00 54.05 H new ATOM 0 HG12 VAL A 61 -8.995 -7.101 9.242 1.00 54.05 H new ATOM 0 HG13 VAL A 61 -7.519 -6.372 9.917 1.00 54.05 H new ATOM 0 HG21 VAL A 61 -6.804 -4.811 7.356 1.00 52.32 H new ATOM 0 HG22 VAL A 61 -5.622 -5.738 8.312 1.00 52.32 H new ATOM 0 HG23 VAL A 61 -5.825 -6.076 6.577 1.00 52.32 H new ATOM 969 N ASP A 62 -4.645 -8.267 6.974 1.00 53.03 N ATOM 970 CA ASP A 62 -3.697 -8.413 5.891 1.00 50.22 C ATOM 971 C ASP A 62 -2.564 -9.330 6.349 1.00 20.12 C ATOM 972 O ASP A 62 -1.814 -8.977 7.257 1.00 72.45 O ATOM 973 CB ASP A 62 -3.178 -7.017 5.517 1.00 13.03 C ATOM 974 CG ASP A 62 -2.409 -6.969 4.208 1.00 64.30 C ATOM 975 OD1 ASP A 62 -1.285 -7.502 4.152 1.00 73.33 O ATOM 976 OD2 ASP A 62 -2.916 -6.365 3.226 1.00 4.21 O ATOM 0 H ASP A 62 -4.244 -7.888 7.832 1.00 53.03 H new ATOM 0 HA ASP A 62 -4.160 -8.861 5.012 1.00 50.22 H new ATOM 0 HB2 ASP A 62 -4.024 -6.332 5.454 1.00 13.03 H new ATOM 0 HB3 ASP A 62 -2.533 -6.655 6.318 1.00 13.03 H new ATOM 981 N LEU A 63 -2.462 -10.524 5.763 1.00 50.30 N ATOM 982 CA LEU A 63 -1.532 -11.527 6.286 1.00 10.41 C ATOM 983 C LEU A 63 -0.255 -11.609 5.441 1.00 73.14 C ATOM 984 O LEU A 63 0.721 -10.928 5.725 1.00 63.04 O ATOM 985 CB LEU A 63 -2.205 -12.907 6.380 1.00 13.41 C ATOM 986 CG LEU A 63 -3.614 -12.934 6.989 1.00 64.52 C ATOM 987 CD1 LEU A 63 -4.046 -14.368 7.251 1.00 71.51 C ATOM 988 CD2 LEU A 63 -3.688 -12.117 8.270 1.00 1.32 C ATOM 0 H LEU A 63 -2.998 -10.816 4.946 1.00 50.30 H new ATOM 0 HA LEU A 63 -1.248 -11.212 7.290 1.00 10.41 H new ATOM 0 HB2 LEU A 63 -2.257 -13.332 5.378 1.00 13.41 H new ATOM 0 HB3 LEU A 63 -1.564 -13.561 6.971 1.00 13.41 H new ATOM 0 HG LEU A 63 -4.296 -12.481 6.269 1.00 64.52 H new ATOM 0 HD11 LEU A 63 -5.047 -14.373 7.683 1.00 71.51 H new ATOM 0 HD12 LEU A 63 -4.053 -14.923 6.313 1.00 71.51 H new ATOM 0 HD13 LEU A 63 -3.349 -14.837 7.945 1.00 71.51 H new ATOM 0 HD21 LEU A 63 -4.701 -12.160 8.671 1.00 1.32 H new ATOM 0 HD22 LEU A 63 -2.990 -12.524 9.002 1.00 1.32 H new ATOM 0 HD23 LEU A 63 -3.426 -11.081 8.056 1.00 1.32 H new ATOM 1000 N THR A 64 -0.268 -12.440 4.399 1.00 63.23 N ATOM 1001 CA THR A 64 0.867 -12.553 3.488 1.00 64.51 C ATOM 1002 C THR A 64 0.596 -11.675 2.268 1.00 3.21 C ATOM 1003 O THR A 64 1.230 -11.766 1.199 1.00 52.41 O ATOM 1004 CB THR A 64 1.080 -14.024 3.073 1.00 31.01 C ATOM 1005 OG1 THR A 64 0.867 -14.876 4.208 1.00 70.23 O ATOM 1006 CG2 THR A 64 2.488 -14.246 2.541 1.00 71.31 C ATOM 0 H THR A 64 -1.055 -13.046 4.166 1.00 63.23 H new ATOM 0 HA THR A 64 1.778 -12.217 3.983 1.00 64.51 H new ATOM 0 HB THR A 64 0.368 -14.262 2.282 1.00 31.01 H new ATOM 0 HG1 THR A 64 0.030 -15.373 4.092 1.00 70.23 H new ATOM 0 HG21 THR A 64 2.609 -15.291 2.257 1.00 71.31 H new ATOM 0 HG22 THR A 64 2.652 -13.612 1.670 1.00 71.31 H new ATOM 0 HG23 THR A 64 3.213 -13.994 3.315 1.00 71.31 H new ATOM 1014 N ALA A 65 -0.355 -10.784 2.459 1.00 40.22 N ATOM 1015 CA ALA A 65 -0.760 -9.880 1.424 1.00 75.22 C ATOM 1016 C ALA A 65 0.335 -8.872 1.129 1.00 10.23 C ATOM 1017 O ALA A 65 0.297 -8.231 0.091 1.00 41.15 O ATOM 1018 CB ALA A 65 -2.046 -9.186 1.806 1.00 3.43 C ATOM 0 H ALA A 65 -0.863 -10.673 3.337 1.00 40.22 H new ATOM 0 HA ALA A 65 -0.938 -10.454 0.515 1.00 75.22 H new ATOM 0 HB1 ALA A 65 -2.341 -8.502 1.010 1.00 3.43 H new ATOM 0 HB2 ALA A 65 -2.830 -9.929 1.956 1.00 3.43 H new ATOM 0 HB3 ALA A 65 -1.897 -8.625 2.729 1.00 3.43 H new ATOM 1024 N LEU A 66 1.310 -8.722 2.036 1.00 75.32 N ATOM 1025 CA LEU A 66 2.480 -7.908 1.722 1.00 40.04 C ATOM 1026 C LEU A 66 3.429 -8.672 0.831 1.00 22.21 C ATOM 1027 O LEU A 66 4.240 -8.079 0.153 1.00 62.44 O ATOM 1028 CB LEU A 66 3.238 -7.354 2.953 1.00 52.12 C ATOM 1029 CG LEU A 66 3.998 -8.327 3.898 1.00 42.21 C ATOM 1030 CD1 LEU A 66 3.072 -9.374 4.487 1.00 40.43 C ATOM 1031 CD2 LEU A 66 5.183 -8.990 3.205 1.00 23.30 C ATOM 0 H LEU A 66 1.310 -9.142 2.965 1.00 75.32 H new ATOM 0 HA LEU A 66 2.088 -7.034 1.202 1.00 40.04 H new ATOM 0 HB2 LEU A 66 3.961 -6.625 2.588 1.00 52.12 H new ATOM 0 HB3 LEU A 66 2.516 -6.809 3.561 1.00 52.12 H new ATOM 0 HG LEU A 66 4.389 -7.721 4.716 1.00 42.21 H new ATOM 0 HD11 LEU A 66 3.640 -10.035 5.142 1.00 40.43 H new ATOM 0 HD12 LEU A 66 2.286 -8.883 5.061 1.00 40.43 H new ATOM 0 HD13 LEU A 66 2.624 -9.957 3.683 1.00 40.43 H new ATOM 0 HD21 LEU A 66 5.684 -9.661 3.903 1.00 23.30 H new ATOM 0 HD22 LEU A 66 4.830 -9.559 2.345 1.00 23.30 H new ATOM 0 HD23 LEU A 66 5.884 -8.225 2.871 1.00 23.30 H new ATOM 1043 N ASP A 67 3.359 -9.990 0.846 1.00 61.53 N ATOM 1044 CA ASP A 67 4.144 -10.757 -0.098 1.00 14.31 C ATOM 1045 C ASP A 67 3.706 -10.331 -1.477 1.00 5.34 C ATOM 1046 O ASP A 67 4.496 -9.817 -2.268 1.00 74.11 O ATOM 1047 CB ASP A 67 3.955 -12.265 0.099 1.00 20.41 C ATOM 1048 CG ASP A 67 4.679 -13.091 -0.946 1.00 43.11 C ATOM 1049 OD1 ASP A 67 5.913 -13.258 -0.835 1.00 14.25 O ATOM 1050 OD2 ASP A 67 4.013 -13.585 -1.876 1.00 60.13 O ATOM 0 H ASP A 67 2.782 -10.539 1.484 1.00 61.53 H new ATOM 0 HA ASP A 67 5.207 -10.566 0.051 1.00 14.31 H new ATOM 0 HB2 ASP A 67 4.314 -12.545 1.089 1.00 20.41 H new ATOM 0 HB3 ASP A 67 2.891 -12.500 0.068 1.00 20.41 H new ATOM 1055 N ALA A 68 2.407 -10.446 -1.711 1.00 63.42 N ATOM 1056 CA ALA A 68 1.823 -9.987 -2.971 1.00 10.54 C ATOM 1057 C ALA A 68 2.033 -8.475 -3.173 1.00 43.04 C ATOM 1058 O ALA A 68 2.578 -8.033 -4.195 1.00 52.54 O ATOM 1059 CB ALA A 68 0.341 -10.327 -3.014 1.00 63.32 C ATOM 0 H ALA A 68 1.739 -10.849 -1.054 1.00 63.42 H new ATOM 0 HA ALA A 68 2.332 -10.503 -3.785 1.00 10.54 H new ATOM 0 HB1 ALA A 68 -0.084 -9.981 -3.956 1.00 63.32 H new ATOM 0 HB2 ALA A 68 0.213 -11.406 -2.933 1.00 63.32 H new ATOM 0 HB3 ALA A 68 -0.169 -9.837 -2.184 1.00 63.32 H new ATOM 1065 N LEU A 69 1.623 -7.699 -2.173 1.00 40.04 N ATOM 1066 CA LEU A 69 1.633 -6.240 -2.252 1.00 0.43 C ATOM 1067 C LEU A 69 3.044 -5.697 -2.423 1.00 14.10 C ATOM 1068 O LEU A 69 3.287 -4.931 -3.337 1.00 75.52 O ATOM 1069 CB LEU A 69 0.965 -5.633 -1.001 1.00 74.31 C ATOM 1070 CG LEU A 69 0.760 -4.106 -0.976 1.00 0.43 C ATOM 1071 CD1 LEU A 69 2.025 -3.376 -0.539 1.00 50.42 C ATOM 1072 CD2 LEU A 69 0.296 -3.594 -2.333 1.00 35.11 C ATOM 0 H LEU A 69 1.275 -8.063 -1.286 1.00 40.04 H new ATOM 0 HA LEU A 69 1.062 -5.949 -3.134 1.00 0.43 H new ATOM 0 HB2 LEU A 69 -0.009 -6.106 -0.877 1.00 74.31 H new ATOM 0 HB3 LEU A 69 1.565 -5.906 -0.133 1.00 74.31 H new ATOM 0 HG LEU A 69 -0.018 -3.898 -0.242 1.00 0.43 H new ATOM 0 HD11 LEU A 69 1.842 -2.302 -0.534 1.00 50.42 H new ATOM 0 HD12 LEU A 69 2.305 -3.701 0.463 1.00 50.42 H new ATOM 0 HD13 LEU A 69 2.834 -3.602 -1.233 1.00 50.42 H new ATOM 0 HD21 LEU A 69 0.159 -2.514 -2.287 1.00 35.11 H new ATOM 0 HD22 LEU A 69 1.045 -3.833 -3.088 1.00 35.11 H new ATOM 0 HD23 LEU A 69 -0.649 -4.068 -2.597 1.00 35.11 H new ATOM 1084 N ASP A 70 3.963 -6.094 -1.554 1.00 3.34 N ATOM 1085 CA ASP A 70 5.308 -5.522 -1.559 1.00 33.13 C ATOM 1086 C ASP A 70 6.051 -5.885 -2.824 1.00 63.41 C ATOM 1087 O ASP A 70 6.841 -5.092 -3.328 1.00 3.44 O ATOM 1088 CB ASP A 70 6.136 -5.981 -0.372 1.00 65.30 C ATOM 1089 CG ASP A 70 7.287 -5.041 -0.102 1.00 32.43 C ATOM 1090 OD1 ASP A 70 7.040 -3.925 0.403 1.00 34.41 O ATOM 1091 OD2 ASP A 70 8.440 -5.395 -0.403 1.00 15.13 O ATOM 0 H ASP A 70 3.807 -6.805 -0.840 1.00 3.34 H new ATOM 0 HA ASP A 70 5.173 -4.442 -1.499 1.00 33.13 H new ATOM 0 HB2 ASP A 70 5.502 -6.044 0.512 1.00 65.30 H new ATOM 0 HB3 ASP A 70 6.520 -6.983 -0.561 1.00 65.30 H new ATOM 1096 N GLN A 71 5.809 -7.088 -3.330 1.00 15.21 N ATOM 1097 CA GLN A 71 6.385 -7.492 -4.600 1.00 44.54 C ATOM 1098 C GLN A 71 6.038 -6.488 -5.685 1.00 65.43 C ATOM 1099 O GLN A 71 6.929 -5.935 -6.324 1.00 55.31 O ATOM 1100 CB GLN A 71 5.913 -8.885 -4.991 1.00 45.54 C ATOM 1101 CG GLN A 71 6.819 -9.993 -4.478 1.00 54.03 C ATOM 1102 CD GLN A 71 6.186 -11.362 -4.598 1.00 45.31 C ATOM 1103 OE1 GLN A 71 6.866 -12.349 -4.876 1.00 63.45 O ATOM 1104 NE2 GLN A 71 4.895 -11.442 -4.318 1.00 60.34 N ATOM 0 H GLN A 71 5.223 -7.793 -2.883 1.00 15.21 H new ATOM 0 HA GLN A 71 7.469 -7.520 -4.488 1.00 44.54 H new ATOM 0 HB2 GLN A 71 4.906 -9.041 -4.605 1.00 45.54 H new ATOM 0 HB3 GLN A 71 5.852 -8.949 -6.077 1.00 45.54 H new ATOM 0 HG2 GLN A 71 7.756 -9.979 -5.035 1.00 54.03 H new ATOM 0 HG3 GLN A 71 7.067 -9.801 -3.434 1.00 54.03 H new ATOM 0 HE21 GLN A 71 4.369 -10.598 -4.093 1.00 60.34 H new ATOM 0 HE22 GLN A 71 4.426 -12.348 -4.328 1.00 60.34 H new ATOM 1113 N LEU A 72 4.749 -6.220 -5.867 1.00 52.23 N ATOM 1114 CA LEU A 72 4.337 -5.232 -6.857 1.00 23.14 C ATOM 1115 C LEU A 72 4.627 -3.812 -6.358 1.00 13.11 C ATOM 1116 O LEU A 72 4.682 -2.868 -7.140 1.00 20.14 O ATOM 1117 CB LEU A 72 2.854 -5.411 -7.231 1.00 31.32 C ATOM 1118 CG LEU A 72 1.835 -5.268 -6.092 1.00 4.43 C ATOM 1119 CD1 LEU A 72 1.432 -3.812 -5.889 1.00 52.53 C ATOM 1120 CD2 LEU A 72 0.611 -6.128 -6.370 1.00 52.22 C ATOM 0 H LEU A 72 3.986 -6.662 -5.354 1.00 52.23 H new ATOM 0 HA LEU A 72 4.922 -5.390 -7.763 1.00 23.14 H new ATOM 0 HB2 LEU A 72 2.607 -4.682 -8.002 1.00 31.32 H new ATOM 0 HB3 LEU A 72 2.732 -6.399 -7.675 1.00 31.32 H new ATOM 0 HG LEU A 72 2.306 -5.613 -5.172 1.00 4.43 H new ATOM 0 HD11 LEU A 72 0.710 -3.744 -5.076 1.00 52.53 H new ATOM 0 HD12 LEU A 72 2.314 -3.222 -5.641 1.00 52.53 H new ATOM 0 HD13 LEU A 72 0.984 -3.427 -6.805 1.00 52.53 H new ATOM 0 HD21 LEU A 72 -0.104 -6.018 -5.555 1.00 52.22 H new ATOM 0 HD22 LEU A 72 0.148 -5.811 -7.304 1.00 52.22 H new ATOM 0 HD23 LEU A 72 0.911 -7.173 -6.450 1.00 52.22 H new ATOM 1132 N ARG A 73 4.826 -3.678 -5.054 1.00 23.42 N ATOM 1133 CA ARG A 73 5.175 -2.402 -4.451 1.00 11.34 C ATOM 1134 C ARG A 73 6.562 -1.991 -4.913 1.00 43.52 C ATOM 1135 O ARG A 73 6.692 -1.075 -5.699 1.00 63.22 O ATOM 1136 CB ARG A 73 5.106 -2.499 -2.917 1.00 50.35 C ATOM 1137 CG ARG A 73 5.248 -1.179 -2.162 1.00 71.24 C ATOM 1138 CD ARG A 73 6.705 -0.788 -1.951 1.00 20.33 C ATOM 1139 NE ARG A 73 7.493 -1.876 -1.363 1.00 23.32 N ATOM 1140 CZ ARG A 73 8.823 -1.904 -1.348 1.00 21.12 C ATOM 1141 NH1 ARG A 73 9.515 -0.834 -1.697 1.00 25.03 N ATOM 1142 NH2 ARG A 73 9.462 -2.987 -0.926 1.00 20.34 N ATOM 0 H ARG A 73 4.750 -4.447 -4.388 1.00 23.42 H new ATOM 0 HA ARG A 73 4.461 -1.641 -4.767 1.00 11.34 H new ATOM 0 HB2 ARG A 73 4.154 -2.952 -2.643 1.00 50.35 H new ATOM 0 HB3 ARG A 73 5.890 -3.176 -2.579 1.00 50.35 H new ATOM 0 HG2 ARG A 73 4.739 -0.390 -2.715 1.00 71.24 H new ATOM 0 HG3 ARG A 73 4.752 -1.261 -1.195 1.00 71.24 H new ATOM 0 HD2 ARG A 73 7.144 -0.500 -2.906 1.00 20.33 H new ATOM 0 HD3 ARG A 73 6.754 0.086 -1.301 1.00 20.33 H new ATOM 0 HE ARG A 73 6.992 -2.657 -0.941 1.00 23.32 H new ATOM 0 HH11 ARG A 73 9.030 0.018 -1.979 1.00 25.03 H new ATOM 0 HH12 ARG A 73 10.535 -0.859 -1.684 1.00 25.03 H new ATOM 0 HH21 ARG A 73 8.934 -3.801 -0.612 1.00 20.34 H new ATOM 0 HH22 ARG A 73 10.482 -3.006 -0.916 1.00 20.34 H new ATOM 1156 N THR A 74 7.589 -2.709 -4.475 1.00 22.44 N ATOM 1157 CA THR A 74 8.957 -2.361 -4.833 1.00 10.31 C ATOM 1158 C THR A 74 9.128 -2.360 -6.349 1.00 63.51 C ATOM 1159 O THR A 74 9.713 -1.442 -6.920 1.00 70.42 O ATOM 1160 CB THR A 74 9.988 -3.323 -4.184 1.00 31.33 C ATOM 1161 OG1 THR A 74 11.315 -2.991 -4.603 1.00 14.04 O ATOM 1162 CG2 THR A 74 9.699 -4.777 -4.530 1.00 14.41 C ATOM 0 H THR A 74 7.501 -3.530 -3.876 1.00 22.44 H new ATOM 0 HA THR A 74 9.147 -1.359 -4.448 1.00 10.31 H new ATOM 0 HB THR A 74 9.903 -3.204 -3.104 1.00 31.33 H new ATOM 0 HG1 THR A 74 11.595 -3.602 -5.317 1.00 14.04 H new ATOM 0 HG21 THR A 74 10.443 -5.418 -4.057 1.00 14.41 H new ATOM 0 HG22 THR A 74 8.706 -5.046 -4.170 1.00 14.41 H new ATOM 0 HG23 THR A 74 9.741 -4.909 -5.611 1.00 14.41 H new ATOM 1170 N GLU A 75 8.543 -3.359 -6.993 1.00 4.02 N ATOM 1171 CA GLU A 75 8.727 -3.591 -8.412 1.00 14.54 C ATOM 1172 C GLU A 75 8.142 -2.454 -9.264 1.00 5.35 C ATOM 1173 O GLU A 75 8.733 -2.062 -10.269 1.00 62.21 O ATOM 1174 CB GLU A 75 8.095 -4.935 -8.769 1.00 13.15 C ATOM 1175 CG GLU A 75 8.336 -5.386 -10.195 1.00 10.25 C ATOM 1176 CD GLU A 75 7.926 -6.826 -10.411 1.00 41.43 C ATOM 1177 OE1 GLU A 75 6.714 -7.098 -10.501 1.00 52.11 O ATOM 1178 OE2 GLU A 75 8.819 -7.696 -10.497 1.00 71.13 O ATOM 0 H GLU A 75 7.925 -4.033 -6.541 1.00 4.02 H new ATOM 0 HA GLU A 75 9.794 -3.614 -8.633 1.00 14.54 H new ATOM 0 HB2 GLU A 75 8.482 -5.695 -8.091 1.00 13.15 H new ATOM 0 HB3 GLU A 75 7.020 -4.873 -8.598 1.00 13.15 H new ATOM 0 HG2 GLU A 75 7.779 -4.744 -10.877 1.00 10.25 H new ATOM 0 HG3 GLU A 75 9.392 -5.269 -10.439 1.00 10.25 H new ATOM 1185 N LEU A 76 7.005 -1.910 -8.850 1.00 3.42 N ATOM 1186 CA LEU A 76 6.337 -0.867 -9.626 1.00 12.21 C ATOM 1187 C LEU A 76 6.603 0.531 -9.053 1.00 33.01 C ATOM 1188 O LEU A 76 6.646 1.514 -9.790 1.00 64.42 O ATOM 1189 CB LEU A 76 4.825 -1.131 -9.694 1.00 22.21 C ATOM 1190 CG LEU A 76 4.375 -2.267 -10.633 1.00 1.01 C ATOM 1191 CD1 LEU A 76 4.876 -3.630 -10.167 1.00 52.04 C ATOM 1192 CD2 LEU A 76 2.860 -2.281 -10.747 1.00 72.44 C ATOM 0 H LEU A 76 6.527 -2.170 -7.987 1.00 3.42 H new ATOM 0 HA LEU A 76 6.751 -0.897 -10.634 1.00 12.21 H new ATOM 0 HB2 LEU A 76 4.471 -1.357 -8.688 1.00 22.21 H new ATOM 0 HB3 LEU A 76 4.330 -0.212 -10.007 1.00 22.21 H new ATOM 0 HG LEU A 76 4.814 -2.074 -11.612 1.00 1.01 H new ATOM 0 HD11 LEU A 76 4.534 -4.399 -10.859 1.00 52.04 H new ATOM 0 HD12 LEU A 76 5.966 -3.626 -10.137 1.00 52.04 H new ATOM 0 HD13 LEU A 76 4.487 -3.840 -9.171 1.00 52.04 H new ATOM 0 HD21 LEU A 76 2.553 -3.087 -11.413 1.00 72.44 H new ATOM 0 HD22 LEU A 76 2.422 -2.438 -9.761 1.00 72.44 H new ATOM 0 HD23 LEU A 76 2.517 -1.328 -11.149 1.00 72.44 H new ATOM 1204 N LEU A 77 6.800 0.616 -7.742 1.00 73.55 N ATOM 1205 CA LEU A 77 7.013 1.900 -7.071 1.00 53.41 C ATOM 1206 C LEU A 77 8.370 2.484 -7.446 1.00 31.20 C ATOM 1207 O LEU A 77 8.530 3.700 -7.541 1.00 31.42 O ATOM 1208 CB LEU A 77 6.890 1.729 -5.546 1.00 22.32 C ATOM 1209 CG LEU A 77 6.806 3.013 -4.720 1.00 54.53 C ATOM 1210 CD1 LEU A 77 6.077 2.749 -3.409 1.00 33.12 C ATOM 1211 CD2 LEU A 77 8.192 3.566 -4.432 1.00 2.43 C ATOM 0 H LEU A 77 6.817 -0.191 -7.118 1.00 73.55 H new ATOM 0 HA LEU A 77 6.245 2.599 -7.402 1.00 53.41 H new ATOM 0 HB2 LEU A 77 6.001 1.132 -5.340 1.00 22.32 H new ATOM 0 HB3 LEU A 77 7.748 1.154 -5.197 1.00 22.32 H new ATOM 0 HG LEU A 77 6.251 3.751 -5.300 1.00 54.53 H new ATOM 0 HD11 LEU A 77 6.024 3.671 -2.830 1.00 33.12 H new ATOM 0 HD12 LEU A 77 5.068 2.394 -3.619 1.00 33.12 H new ATOM 0 HD13 LEU A 77 6.617 1.993 -2.838 1.00 33.12 H new ATOM 0 HD21 LEU A 77 8.104 4.479 -3.843 1.00 2.43 H new ATOM 0 HD22 LEU A 77 8.769 2.829 -3.874 1.00 2.43 H new ATOM 0 HD23 LEU A 77 8.698 3.787 -5.372 1.00 2.43 H new ATOM 1223 N ARG A 78 9.343 1.610 -7.690 1.00 10.31 N ATOM 1224 CA ARG A 78 10.683 2.045 -8.077 1.00 15.33 C ATOM 1225 C ARG A 78 10.691 2.651 -9.484 1.00 5.43 C ATOM 1226 O ARG A 78 11.739 3.060 -9.983 1.00 15.24 O ATOM 1227 CB ARG A 78 11.660 0.865 -8.024 1.00 32.44 C ATOM 1228 CG ARG A 78 11.341 -0.226 -9.035 1.00 53.15 C ATOM 1229 CD ARG A 78 12.324 -1.382 -8.961 1.00 54.25 C ATOM 1230 NE ARG A 78 13.642 -1.019 -9.482 1.00 25.32 N ATOM 1231 CZ ARG A 78 14.591 -1.900 -9.799 1.00 70.43 C ATOM 1232 NH1 ARG A 78 14.375 -3.201 -9.649 1.00 63.02 N ATOM 1233 NH2 ARG A 78 15.755 -1.474 -10.275 1.00 75.12 N ATOM 0 H ARG A 78 9.230 0.598 -7.627 1.00 10.31 H new ATOM 0 HA ARG A 78 10.997 2.813 -7.370 1.00 15.33 H new ATOM 0 HB2 ARG A 78 12.671 1.231 -8.202 1.00 32.44 H new ATOM 0 HB3 ARG A 78 11.648 0.437 -7.022 1.00 32.44 H new ATOM 0 HG2 ARG A 78 10.332 -0.598 -8.859 1.00 53.15 H new ATOM 0 HG3 ARG A 78 11.355 0.197 -10.040 1.00 53.15 H new ATOM 0 HD2 ARG A 78 12.421 -1.708 -7.926 1.00 54.25 H new ATOM 0 HD3 ARG A 78 11.932 -2.227 -9.526 1.00 54.25 H new ATOM 0 HE ARG A 78 13.848 -0.028 -9.611 1.00 25.32 H new ATOM 0 HH11 ARG A 78 13.479 -3.531 -9.290 1.00 63.02 H new ATOM 0 HH12 ARG A 78 15.105 -3.871 -9.893 1.00 63.02 H new ATOM 0 HH21 ARG A 78 15.921 -0.475 -10.397 1.00 75.12 H new ATOM 0 HH22 ARG A 78 16.483 -2.146 -10.518 1.00 75.12 H new ATOM 1247 N ARG A 79 9.529 2.704 -10.127 1.00 4.23 N ATOM 1248 CA ARG A 79 9.445 3.207 -11.491 1.00 65.41 C ATOM 1249 C ARG A 79 9.047 4.682 -11.507 1.00 40.55 C ATOM 1250 O ARG A 79 9.800 5.527 -11.992 1.00 64.21 O ATOM 1251 CB ARG A 79 8.441 2.396 -12.320 1.00 31.33 C ATOM 1252 CG ARG A 79 8.565 0.882 -12.171 1.00 34.23 C ATOM 1253 CD ARG A 79 9.999 0.391 -12.320 1.00 14.10 C ATOM 1254 NE ARG A 79 10.634 0.865 -13.548 1.00 52.33 N ATOM 1255 CZ ARG A 79 10.699 0.164 -14.677 1.00 40.42 C ATOM 1256 NH1 ARG A 79 10.138 -1.040 -14.760 1.00 42.51 N ATOM 1257 NH2 ARG A 79 11.338 0.671 -15.719 1.00 61.52 N ATOM 0 H ARG A 79 8.639 2.407 -9.728 1.00 4.23 H new ATOM 0 HA ARG A 79 10.434 3.102 -11.936 1.00 65.41 H new ATOM 0 HB2 ARG A 79 7.432 2.694 -12.036 1.00 31.33 H new ATOM 0 HB3 ARG A 79 8.566 2.655 -13.371 1.00 31.33 H new ATOM 0 HG2 ARG A 79 8.184 0.585 -11.194 1.00 34.23 H new ATOM 0 HG3 ARG A 79 7.939 0.395 -12.919 1.00 34.23 H new ATOM 0 HD2 ARG A 79 10.583 0.724 -11.462 1.00 14.10 H new ATOM 0 HD3 ARG A 79 10.008 -0.699 -12.309 1.00 14.10 H new ATOM 0 HE ARG A 79 11.055 1.794 -13.539 1.00 52.33 H new ATOM 0 HH11 ARG A 79 9.653 -1.433 -13.954 1.00 42.51 H new ATOM 0 HH12 ARG A 79 10.193 -1.570 -15.630 1.00 42.51 H new ATOM 0 HH21 ARG A 79 11.774 1.590 -15.652 1.00 61.52 H new ATOM 0 HH22 ARG A 79 11.394 0.142 -16.590 1.00 61.52 H new ATOM 1271 N GLY A 80 7.871 4.988 -10.968 1.00 45.41 N ATOM 1272 CA GLY A 80 7.360 6.348 -11.024 1.00 41.14 C ATOM 1273 C GLY A 80 7.273 7.009 -9.659 1.00 62.43 C ATOM 1274 O GLY A 80 8.013 6.655 -8.743 1.00 44.03 O ATOM 0 H GLY A 80 7.263 4.321 -10.494 1.00 45.41 H new ATOM 0 HA2 GLY A 80 8.004 6.945 -11.670 1.00 41.14 H new ATOM 0 HA3 GLY A 80 6.370 6.339 -11.481 1.00 41.14 H new ATOM 1278 N ILE A 81 6.358 7.965 -9.523 1.00 42.13 N ATOM 1279 CA ILE A 81 6.204 8.700 -8.276 1.00 40.24 C ATOM 1280 C ILE A 81 5.077 8.104 -7.425 1.00 62.24 C ATOM 1281 O ILE A 81 3.893 8.398 -7.602 1.00 65.33 O ATOM 1282 CB ILE A 81 5.979 10.217 -8.526 1.00 73.21 C ATOM 1283 CG1 ILE A 81 5.702 10.956 -7.213 1.00 35.24 C ATOM 1284 CG2 ILE A 81 4.855 10.457 -9.526 1.00 32.45 C ATOM 1285 CD1 ILE A 81 6.866 10.928 -6.245 1.00 24.23 C ATOM 0 H ILE A 81 5.714 8.247 -10.262 1.00 42.13 H new ATOM 0 HA ILE A 81 7.136 8.601 -7.719 1.00 40.24 H new ATOM 0 HB ILE A 81 6.898 10.616 -8.955 1.00 73.21 H new ATOM 0 HG12 ILE A 81 5.450 11.993 -7.435 1.00 35.24 H new ATOM 0 HG13 ILE A 81 4.830 10.512 -6.733 1.00 35.24 H new ATOM 0 HG21 ILE A 81 4.725 11.529 -9.677 1.00 32.45 H new ATOM 0 HG22 ILE A 81 5.106 9.985 -10.476 1.00 32.45 H new ATOM 0 HG23 ILE A 81 3.929 10.030 -9.142 1.00 32.45 H new ATOM 0 HD11 ILE A 81 6.598 11.470 -5.338 1.00 24.23 H new ATOM 0 HD12 ILE A 81 7.105 9.895 -5.993 1.00 24.23 H new ATOM 0 HD13 ILE A 81 7.734 11.399 -6.706 1.00 24.23 H new ATOM 1297 N VAL A 82 5.470 7.242 -6.509 1.00 33.13 N ATOM 1298 CA VAL A 82 4.532 6.527 -5.666 1.00 43.45 C ATOM 1299 C VAL A 82 5.212 6.144 -4.356 1.00 0.43 C ATOM 1300 O VAL A 82 6.433 6.035 -4.308 1.00 34.43 O ATOM 1301 CB VAL A 82 3.977 5.275 -6.404 1.00 23.54 C ATOM 1302 CG1 VAL A 82 5.072 4.590 -7.207 1.00 3.13 C ATOM 1303 CG2 VAL A 82 3.333 4.284 -5.440 1.00 22.21 C ATOM 0 H VAL A 82 6.448 7.017 -6.328 1.00 33.13 H new ATOM 0 HA VAL A 82 3.685 7.175 -5.440 1.00 43.45 H new ATOM 0 HB VAL A 82 3.203 5.624 -7.088 1.00 23.54 H new ATOM 0 HG11 VAL A 82 4.660 3.718 -7.714 1.00 3.13 H new ATOM 0 HG12 VAL A 82 5.470 5.285 -7.946 1.00 3.13 H new ATOM 0 HG13 VAL A 82 5.872 4.276 -6.537 1.00 3.13 H new ATOM 0 HG21 VAL A 82 2.959 3.425 -5.997 1.00 22.21 H new ATOM 0 HG22 VAL A 82 4.073 3.950 -4.713 1.00 22.21 H new ATOM 0 HG23 VAL A 82 2.506 4.767 -4.920 1.00 22.21 H new ATOM 1313 N PHE A 83 4.430 6.001 -3.289 1.00 61.14 N ATOM 1314 CA PHE A 83 4.970 5.577 -1.996 1.00 1.33 C ATOM 1315 C PHE A 83 3.998 4.629 -1.285 1.00 32.41 C ATOM 1316 O PHE A 83 2.987 4.209 -1.857 1.00 22.12 O ATOM 1317 CB PHE A 83 5.263 6.786 -1.099 1.00 34.33 C ATOM 1318 CG PHE A 83 6.328 7.707 -1.620 1.00 5.25 C ATOM 1319 CD1 PHE A 83 7.667 7.386 -1.481 1.00 1.21 C ATOM 1320 CD2 PHE A 83 5.989 8.899 -2.241 1.00 62.10 C ATOM 1321 CE1 PHE A 83 8.649 8.236 -1.951 1.00 73.20 C ATOM 1322 CE2 PHE A 83 6.966 9.752 -2.714 1.00 42.54 C ATOM 1323 CZ PHE A 83 8.298 9.419 -2.570 1.00 4.13 C ATOM 0 H PHE A 83 3.424 6.171 -3.292 1.00 61.14 H new ATOM 0 HA PHE A 83 5.904 5.049 -2.186 1.00 1.33 H new ATOM 0 HB2 PHE A 83 4.343 7.355 -0.966 1.00 34.33 H new ATOM 0 HB3 PHE A 83 5.561 6.427 -0.114 1.00 34.33 H new ATOM 0 HD1 PHE A 83 7.947 6.461 -1.000 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.948 9.164 -2.356 1.00 62.10 H new ATOM 0 HE1 PHE A 83 9.691 7.975 -1.834 1.00 73.20 H new ATOM 0 HE2 PHE A 83 6.689 10.678 -3.196 1.00 42.54 H new ATOM 0 HZ PHE A 83 9.065 10.083 -2.941 1.00 4.13 H new ATOM 1333 N ALA A 84 4.316 4.284 -0.043 1.00 51.04 N ATOM 1334 CA ALA A 84 3.446 3.448 0.774 1.00 33.33 C ATOM 1335 C ALA A 84 3.676 3.720 2.253 1.00 14.31 C ATOM 1336 O ALA A 84 4.780 4.084 2.653 1.00 35.14 O ATOM 1337 CB ALA A 84 3.681 1.978 0.469 1.00 51.25 C ATOM 0 H ALA A 84 5.176 4.573 0.423 1.00 51.04 H new ATOM 0 HA ALA A 84 2.412 3.694 0.533 1.00 33.33 H new ATOM 0 HB1 ALA A 84 3.023 1.368 1.088 1.00 51.25 H new ATOM 0 HB2 ALA A 84 3.470 1.786 -0.583 1.00 51.25 H new ATOM 0 HB3 ALA A 84 4.719 1.723 0.683 1.00 51.25 H new ATOM 1343 N MET A 85 2.640 3.556 3.066 1.00 25.44 N ATOM 1344 CA MET A 85 2.763 3.781 4.501 1.00 62.40 C ATOM 1345 C MET A 85 1.683 3.053 5.286 1.00 41.23 C ATOM 1346 O MET A 85 0.596 2.787 4.780 1.00 65.10 O ATOM 1347 CB MET A 85 2.687 5.272 4.825 1.00 53.01 C ATOM 1348 CG MET A 85 1.411 5.937 4.335 1.00 1.03 C ATOM 1349 SD MET A 85 0.578 6.891 5.620 1.00 62.20 S ATOM 1350 CE MET A 85 -0.143 5.572 6.595 1.00 44.20 C ATOM 0 H MET A 85 1.710 3.270 2.759 1.00 25.44 H new ATOM 0 HA MET A 85 3.735 3.386 4.796 1.00 62.40 H new ATOM 0 HB2 MET A 85 2.765 5.405 5.904 1.00 53.01 H new ATOM 0 HB3 MET A 85 3.544 5.776 4.379 1.00 53.01 H new ATOM 0 HG2 MET A 85 1.648 6.594 3.498 1.00 1.03 H new ATOM 0 HG3 MET A 85 0.731 5.173 3.958 1.00 1.03 H new ATOM 0 HE1 MET A 85 -1.124 5.881 6.956 1.00 44.20 H new ATOM 0 HE2 MET A 85 -0.248 4.679 5.978 1.00 44.20 H new ATOM 0 HE3 MET A 85 0.504 5.352 7.444 1.00 44.20 H new ATOM 1360 N ALA A 86 1.979 2.760 6.539 1.00 61.10 N ATOM 1361 CA ALA A 86 1.013 2.128 7.414 1.00 54.32 C ATOM 1362 C ALA A 86 1.280 2.484 8.870 1.00 14.04 C ATOM 1363 O ALA A 86 2.124 3.325 9.174 1.00 4.10 O ATOM 1364 CB ALA A 86 1.038 0.620 7.215 1.00 14.14 C ATOM 0 H ALA A 86 2.882 2.951 6.973 1.00 61.10 H new ATOM 0 HA ALA A 86 0.021 2.499 7.158 1.00 54.32 H new ATOM 0 HB1 ALA A 86 0.309 0.153 7.877 1.00 14.14 H new ATOM 0 HB2 ALA A 86 0.791 0.385 6.180 1.00 14.14 H new ATOM 0 HB3 ALA A 86 2.033 0.239 7.445 1.00 14.14 H new ATOM 1370 N ARG A 87 0.530 1.858 9.761 1.00 52.42 N ATOM 1371 CA ARG A 87 0.746 1.990 11.196 1.00 51.23 C ATOM 1372 C ARG A 87 0.979 0.601 11.763 1.00 73.13 C ATOM 1373 O ARG A 87 0.856 0.353 12.961 1.00 64.25 O ATOM 1374 CB ARG A 87 -0.469 2.642 11.858 1.00 53.30 C ATOM 1375 CG ARG A 87 -1.721 1.780 11.809 1.00 44.40 C ATOM 1376 CD ARG A 87 -2.935 2.537 12.313 1.00 22.51 C ATOM 1377 NE ARG A 87 -2.723 3.104 13.642 1.00 53.23 N ATOM 1378 CZ ARG A 87 -3.700 3.359 14.512 1.00 52.51 C ATOM 1379 NH1 ARG A 87 -4.962 3.056 14.218 1.00 72.11 N ATOM 1380 NH2 ARG A 87 -3.404 3.911 15.679 1.00 53.43 N ATOM 0 H ARG A 87 -0.246 1.244 9.513 1.00 52.42 H new ATOM 0 HA ARG A 87 1.610 2.624 11.392 1.00 51.23 H new ATOM 0 HB2 ARG A 87 -0.231 2.864 12.898 1.00 53.30 H new ATOM 0 HB3 ARG A 87 -0.673 3.594 11.368 1.00 53.30 H new ATOM 0 HG2 ARG A 87 -1.896 1.448 10.786 1.00 44.40 H new ATOM 0 HG3 ARG A 87 -1.572 0.885 12.413 1.00 44.40 H new ATOM 0 HD2 ARG A 87 -3.177 3.337 11.614 1.00 22.51 H new ATOM 0 HD3 ARG A 87 -3.793 1.866 12.340 1.00 22.51 H new ATOM 0 HE ARG A 87 -1.766 3.319 13.922 1.00 53.23 H new ATOM 0 HH11 ARG A 87 -5.187 2.625 13.321 1.00 72.11 H new ATOM 0 HH12 ARG A 87 -5.704 3.254 14.889 1.00 72.11 H new ATOM 0 HH21 ARG A 87 -2.435 4.137 15.905 1.00 53.43 H new ATOM 0 HH22 ARG A 87 -4.145 4.110 16.352 1.00 53.43 H new ATOM 1394 N VAL A 88 1.325 -0.292 10.855 1.00 44.24 N ATOM 1395 CA VAL A 88 1.441 -1.707 11.143 1.00 31.01 C ATOM 1396 C VAL A 88 2.654 -2.022 12.001 1.00 63.31 C ATOM 1397 O VAL A 88 3.663 -1.323 11.957 1.00 41.33 O ATOM 1398 CB VAL A 88 1.535 -2.517 9.839 1.00 70.24 C ATOM 1399 CG1 VAL A 88 0.223 -2.455 9.079 1.00 31.24 C ATOM 1400 CG2 VAL A 88 2.681 -2.000 8.972 1.00 12.22 C ATOM 0 H VAL A 88 1.535 -0.051 9.886 1.00 44.24 H new ATOM 0 HA VAL A 88 0.545 -1.986 11.697 1.00 31.01 H new ATOM 0 HB VAL A 88 1.736 -3.558 10.092 1.00 70.24 H new ATOM 0 HG11 VAL A 88 0.308 -3.034 8.159 1.00 31.24 H new ATOM 0 HG12 VAL A 88 -0.575 -2.869 9.696 1.00 31.24 H new ATOM 0 HG13 VAL A 88 -0.008 -1.418 8.835 1.00 31.24 H new ATOM 0 HG21 VAL A 88 2.734 -2.584 8.053 1.00 12.22 H new ATOM 0 HG22 VAL A 88 2.508 -0.952 8.727 1.00 12.22 H new ATOM 0 HG23 VAL A 88 3.620 -2.095 9.517 1.00 12.22 H new ATOM 1410 N LYS A 89 2.538 -3.083 12.778 1.00 64.20 N ATOM 1411 CA LYS A 89 3.656 -3.599 13.549 1.00 43.31 C ATOM 1412 C LYS A 89 3.931 -5.043 13.139 1.00 21.13 C ATOM 1413 O LYS A 89 4.676 -5.768 13.792 1.00 51.14 O ATOM 1414 CB LYS A 89 3.365 -3.474 15.049 1.00 55.11 C ATOM 1415 CG LYS A 89 2.040 -4.084 15.479 1.00 15.42 C ATOM 1416 CD LYS A 89 1.438 -3.305 16.638 1.00 34.40 C ATOM 1417 CE LYS A 89 0.225 -4.005 17.233 1.00 42.11 C ATOM 1418 NZ LYS A 89 0.606 -5.197 18.034 1.00 22.34 N ATOM 0 H LYS A 89 1.672 -3.609 12.893 1.00 64.20 H new ATOM 0 HA LYS A 89 4.552 -3.013 13.343 1.00 43.31 H new ATOM 0 HB2 LYS A 89 4.171 -3.953 15.605 1.00 55.11 H new ATOM 0 HB3 LYS A 89 3.372 -2.419 15.323 1.00 55.11 H new ATOM 0 HG2 LYS A 89 1.346 -4.088 14.638 1.00 15.42 H new ATOM 0 HG3 LYS A 89 2.191 -5.123 15.773 1.00 15.42 H new ATOM 0 HD2 LYS A 89 2.193 -3.168 17.413 1.00 34.40 H new ATOM 0 HD3 LYS A 89 1.150 -2.311 16.295 1.00 34.40 H new ATOM 0 HE2 LYS A 89 -0.324 -3.305 17.863 1.00 42.11 H new ATOM 0 HE3 LYS A 89 -0.448 -4.308 16.431 1.00 42.11 H new ATOM 0 HZ1 LYS A 89 -0.243 -5.604 18.476 1.00 22.34 H new ATOM 0 HZ2 LYS A 89 1.047 -5.906 17.414 1.00 22.34 H new ATOM 0 HZ3 LYS A 89 1.281 -4.917 18.774 1.00 22.34 H new ATOM 1432 N GLN A 90 3.325 -5.437 12.022 1.00 3.20 N ATOM 1433 CA GLN A 90 3.495 -6.776 11.470 1.00 10.53 C ATOM 1434 C GLN A 90 3.897 -6.692 9.999 1.00 1.41 C ATOM 1435 O GLN A 90 4.922 -7.243 9.590 1.00 72.01 O ATOM 1436 CB GLN A 90 2.197 -7.572 11.605 1.00 61.43 C ATOM 1437 CG GLN A 90 1.770 -7.815 13.043 1.00 50.11 C ATOM 1438 CD GLN A 90 0.362 -8.365 13.153 1.00 2.32 C ATOM 1439 OE1 GLN A 90 -0.337 -8.115 14.133 1.00 22.51 O ATOM 1440 NE2 GLN A 90 -0.071 -9.110 12.147 1.00 63.31 N ATOM 0 H GLN A 90 2.705 -4.839 11.476 1.00 3.20 H new ATOM 0 HA GLN A 90 4.283 -7.283 12.027 1.00 10.53 H new ATOM 0 HB2 GLN A 90 1.400 -7.040 11.085 1.00 61.43 H new ATOM 0 HB3 GLN A 90 2.318 -8.533 11.105 1.00 61.43 H new ATOM 0 HG2 GLN A 90 2.465 -8.512 13.511 1.00 50.11 H new ATOM 0 HG3 GLN A 90 1.834 -6.880 13.599 1.00 50.11 H new ATOM 0 HE21 GLN A 90 0.539 -9.296 11.351 1.00 63.31 H new ATOM 0 HE22 GLN A 90 -1.014 -9.498 12.169 1.00 63.31 H new ATOM 1449 N ASP A 91 3.082 -5.980 9.217 1.00 74.11 N ATOM 1450 CA ASP A 91 3.311 -5.815 7.778 1.00 10.41 C ATOM 1451 C ASP A 91 4.724 -5.326 7.474 1.00 35.45 C ATOM 1452 O ASP A 91 5.427 -5.934 6.675 1.00 13.34 O ATOM 1453 CB ASP A 91 2.281 -4.850 7.187 1.00 53.04 C ATOM 1454 CG ASP A 91 2.675 -4.320 5.817 1.00 53.43 C ATOM 1455 OD1 ASP A 91 2.575 -5.075 4.834 1.00 41.11 O ATOM 1456 OD2 ASP A 91 3.072 -3.141 5.727 1.00 25.15 O ATOM 0 H ASP A 91 2.248 -5.503 9.561 1.00 74.11 H new ATOM 0 HA ASP A 91 3.198 -6.795 7.315 1.00 10.41 H new ATOM 0 HB2 ASP A 91 1.319 -5.357 7.111 1.00 53.04 H new ATOM 0 HB3 ASP A 91 2.145 -4.011 7.869 1.00 53.04 H new ATOM 1461 N LEU A 92 5.150 -4.251 8.136 1.00 4.24 N ATOM 1462 CA LEU A 92 6.464 -3.667 7.871 1.00 30.24 C ATOM 1463 C LEU A 92 7.590 -4.657 8.180 1.00 63.23 C ATOM 1464 O LEU A 92 8.675 -4.556 7.625 1.00 34.24 O ATOM 1465 CB LEU A 92 6.661 -2.323 8.623 1.00 43.42 C ATOM 1466 CG LEU A 92 6.908 -2.347 10.152 1.00 73.52 C ATOM 1467 CD1 LEU A 92 5.945 -3.273 10.876 1.00 54.14 C ATOM 1468 CD2 LEU A 92 8.354 -2.701 10.478 1.00 12.33 C ATOM 0 H LEU A 92 4.609 -3.770 8.854 1.00 4.24 H new ATOM 0 HA LEU A 92 6.509 -3.445 6.805 1.00 30.24 H new ATOM 0 HB2 LEU A 92 7.504 -1.808 8.162 1.00 43.42 H new ATOM 0 HB3 LEU A 92 5.777 -1.712 8.442 1.00 43.42 H new ATOM 0 HG LEU A 92 6.718 -1.337 10.515 1.00 73.52 H new ATOM 0 HD11 LEU A 92 6.158 -3.256 11.945 1.00 54.14 H new ATOM 0 HD12 LEU A 92 4.921 -2.940 10.704 1.00 54.14 H new ATOM 0 HD13 LEU A 92 6.064 -4.289 10.499 1.00 54.14 H new ATOM 0 HD21 LEU A 92 8.492 -2.709 11.559 1.00 12.33 H new ATOM 0 HD22 LEU A 92 8.587 -3.687 10.075 1.00 12.33 H new ATOM 0 HD23 LEU A 92 9.019 -1.961 10.033 1.00 12.33 H new ATOM 1480 N ARG A 93 7.322 -5.627 9.046 1.00 61.40 N ATOM 1481 CA ARG A 93 8.306 -6.650 9.355 1.00 53.40 C ATOM 1482 C ARG A 93 8.490 -7.555 8.150 1.00 13.43 C ATOM 1483 O ARG A 93 9.598 -7.712 7.632 1.00 21.01 O ATOM 1484 CB ARG A 93 7.866 -7.483 10.562 1.00 10.44 C ATOM 1485 CG ARG A 93 7.963 -6.755 11.893 1.00 52.23 C ATOM 1486 CD ARG A 93 7.321 -7.562 13.014 1.00 43.24 C ATOM 1487 NE ARG A 93 7.789 -8.950 13.035 1.00 14.53 N ATOM 1488 CZ ARG A 93 7.536 -9.813 14.017 1.00 42.51 C ATOM 1489 NH1 ARG A 93 6.851 -9.427 15.091 1.00 54.22 N ATOM 1490 NH2 ARG A 93 7.977 -11.063 13.920 1.00 72.53 N ATOM 0 H ARG A 93 6.436 -5.724 9.543 1.00 61.40 H new ATOM 0 HA ARG A 93 9.250 -6.162 9.599 1.00 53.40 H new ATOM 0 HB2 ARG A 93 6.835 -7.804 10.411 1.00 10.44 H new ATOM 0 HB3 ARG A 93 8.477 -8.384 10.609 1.00 10.44 H new ATOM 0 HG2 ARG A 93 9.010 -6.567 12.131 1.00 52.23 H new ATOM 0 HG3 ARG A 93 7.474 -5.784 11.815 1.00 52.23 H new ATOM 0 HD2 ARG A 93 7.543 -7.091 13.972 1.00 43.24 H new ATOM 0 HD3 ARG A 93 6.238 -7.547 12.895 1.00 43.24 H new ATOM 0 HE ARG A 93 8.345 -9.277 12.245 1.00 14.53 H new ATOM 0 HH11 ARG A 93 6.517 -8.466 15.165 1.00 54.22 H new ATOM 0 HH12 ARG A 93 6.660 -10.092 15.840 1.00 54.22 H new ATOM 0 HH21 ARG A 93 8.505 -11.355 13.098 1.00 72.53 H new ATOM 0 HH22 ARG A 93 7.787 -11.730 14.668 1.00 72.53 H new ATOM 1504 N GLU A 94 7.381 -8.117 7.691 1.00 42.22 N ATOM 1505 CA GLU A 94 7.399 -9.048 6.574 1.00 21.14 C ATOM 1506 C GLU A 94 7.838 -8.334 5.294 1.00 51.44 C ATOM 1507 O GLU A 94 8.713 -8.809 4.574 1.00 22.44 O ATOM 1508 CB GLU A 94 6.009 -9.657 6.364 1.00 40.31 C ATOM 1509 CG GLU A 94 5.219 -9.912 7.642 1.00 53.12 C ATOM 1510 CD GLU A 94 5.861 -10.938 8.554 1.00 1.44 C ATOM 1511 OE1 GLU A 94 5.654 -12.148 8.333 1.00 41.21 O ATOM 1512 OE2 GLU A 94 6.558 -10.542 9.514 1.00 5.04 O ATOM 0 H GLU A 94 6.453 -7.943 8.078 1.00 42.22 H new ATOM 0 HA GLU A 94 8.108 -9.843 6.804 1.00 21.14 H new ATOM 0 HB2 GLU A 94 5.430 -8.992 5.723 1.00 40.31 H new ATOM 0 HB3 GLU A 94 6.119 -10.600 5.828 1.00 40.31 H new ATOM 0 HG2 GLU A 94 5.108 -8.973 8.185 1.00 53.12 H new ATOM 0 HG3 GLU A 94 4.216 -10.248 7.379 1.00 53.12 H new ATOM 1519 N SER A 95 7.218 -7.183 5.034 1.00 65.51 N ATOM 1520 CA SER A 95 7.485 -6.384 3.835 1.00 71.11 C ATOM 1521 C SER A 95 8.966 -6.043 3.708 1.00 1.13 C ATOM 1522 O SER A 95 9.594 -6.298 2.678 1.00 73.23 O ATOM 1523 CB SER A 95 6.647 -5.097 3.880 1.00 5.22 C ATOM 1524 OG SER A 95 7.156 -4.101 3.005 1.00 75.11 O ATOM 0 H SER A 95 6.514 -6.776 5.650 1.00 65.51 H new ATOM 0 HA SER A 95 7.207 -6.974 2.962 1.00 71.11 H new ATOM 0 HB2 SER A 95 5.616 -5.326 3.609 1.00 5.22 H new ATOM 0 HB3 SER A 95 6.630 -4.710 4.899 1.00 5.22 H new ATOM 0 HG SER A 95 6.700 -4.161 2.140 1.00 75.11 H new ATOM 1530 N LEU A 96 9.515 -5.483 4.771 1.00 31.14 N ATOM 1531 CA LEU A 96 10.901 -5.056 4.787 1.00 70.52 C ATOM 1532 C LEU A 96 11.851 -6.238 4.587 1.00 31.12 C ATOM 1533 O LEU A 96 12.884 -6.107 3.926 1.00 50.24 O ATOM 1534 CB LEU A 96 11.191 -4.342 6.107 1.00 20.12 C ATOM 1535 CG LEU A 96 11.082 -2.807 6.072 1.00 25.55 C ATOM 1536 CD1 LEU A 96 9.671 -2.357 5.713 1.00 32.41 C ATOM 1537 CD2 LEU A 96 11.497 -2.213 7.411 1.00 22.24 C ATOM 0 H LEU A 96 9.015 -5.312 5.643 1.00 31.14 H new ATOM 0 HA LEU A 96 11.067 -4.367 3.959 1.00 70.52 H new ATOM 0 HB2 LEU A 96 10.502 -4.720 6.863 1.00 20.12 H new ATOM 0 HB3 LEU A 96 12.197 -4.609 6.430 1.00 20.12 H new ATOM 0 HG LEU A 96 11.758 -2.445 5.298 1.00 25.55 H new ATOM 0 HD11 LEU A 96 9.629 -1.268 5.697 1.00 32.41 H new ATOM 0 HD12 LEU A 96 9.405 -2.745 4.730 1.00 32.41 H new ATOM 0 HD13 LEU A 96 8.968 -2.736 6.455 1.00 32.41 H new ATOM 0 HD21 LEU A 96 11.414 -1.127 7.369 1.00 22.24 H new ATOM 0 HD22 LEU A 96 10.846 -2.596 8.197 1.00 22.24 H new ATOM 0 HD23 LEU A 96 12.529 -2.490 7.628 1.00 22.24 H new ATOM 1549 N ARG A 97 11.488 -7.393 5.139 1.00 74.43 N ATOM 1550 CA ARG A 97 12.310 -8.591 5.009 1.00 73.43 C ATOM 1551 C ARG A 97 12.223 -9.186 3.607 1.00 34.12 C ATOM 1552 O ARG A 97 13.201 -9.732 3.098 1.00 40.33 O ATOM 1553 CB ARG A 97 11.901 -9.640 6.042 1.00 62.30 C ATOM 1554 CG ARG A 97 12.266 -9.260 7.465 1.00 53.22 C ATOM 1555 CD ARG A 97 13.771 -9.189 7.648 1.00 23.12 C ATOM 1556 NE ARG A 97 14.401 -10.496 7.490 1.00 52.32 N ATOM 1557 CZ ARG A 97 15.169 -11.069 8.413 1.00 4.03 C ATOM 1558 NH1 ARG A 97 15.399 -10.457 9.569 1.00 30.12 N ATOM 1559 NH2 ARG A 97 15.707 -12.256 8.179 1.00 34.12 N ATOM 0 H ARG A 97 10.633 -7.524 5.679 1.00 74.43 H new ATOM 0 HA ARG A 97 13.343 -8.294 5.188 1.00 73.43 H new ATOM 0 HB2 ARG A 97 10.824 -9.798 5.981 1.00 62.30 H new ATOM 0 HB3 ARG A 97 12.377 -10.588 5.794 1.00 62.30 H new ATOM 0 HG2 ARG A 97 11.822 -8.296 7.712 1.00 53.22 H new ATOM 0 HG3 ARG A 97 11.847 -9.990 8.157 1.00 53.22 H new ATOM 0 HD2 ARG A 97 14.192 -8.493 6.923 1.00 23.12 H new ATOM 0 HD3 ARG A 97 13.998 -8.794 8.638 1.00 23.12 H new ATOM 0 HE ARG A 97 14.243 -11.001 6.618 1.00 52.32 H new ATOM 0 HH11 ARG A 97 14.986 -9.543 9.753 1.00 30.12 H new ATOM 0 HH12 ARG A 97 15.989 -10.901 10.273 1.00 30.12 H new ATOM 0 HH21 ARG A 97 15.532 -12.729 7.292 1.00 34.12 H new ATOM 0 HH22 ARG A 97 16.296 -12.697 8.885 1.00 34.12 H new ATOM 1573 N ALA A 98 11.051 -9.086 2.995 1.00 75.22 N ATOM 1574 CA ALA A 98 10.831 -9.635 1.662 1.00 73.52 C ATOM 1575 C ALA A 98 11.633 -8.872 0.617 1.00 3.03 C ATOM 1576 O ALA A 98 12.440 -9.459 -0.107 1.00 74.34 O ATOM 1577 CB ALA A 98 9.348 -9.609 1.317 1.00 14.04 C ATOM 0 H ALA A 98 10.235 -8.628 3.401 1.00 75.22 H new ATOM 0 HA ALA A 98 11.174 -10.670 1.661 1.00 73.52 H new ATOM 0 HB1 ALA A 98 9.199 -10.022 0.319 1.00 14.04 H new ATOM 0 HB2 ALA A 98 8.795 -10.206 2.043 1.00 14.04 H new ATOM 0 HB3 ALA A 98 8.987 -8.581 1.342 1.00 14.04 H new ATOM 1583 N ALA A 99 11.418 -7.561 0.563 1.00 14.43 N ATOM 1584 CA ALA A 99 12.058 -6.709 -0.433 1.00 41.05 C ATOM 1585 C ALA A 99 13.577 -6.846 -0.417 1.00 64.13 C ATOM 1586 O ALA A 99 14.182 -7.176 -1.436 1.00 32.40 O ATOM 1587 CB ALA A 99 11.667 -5.262 -0.213 1.00 55.55 C ATOM 0 H ALA A 99 10.800 -7.063 1.203 1.00 14.43 H new ATOM 0 HA ALA A 99 11.709 -7.037 -1.412 1.00 41.05 H new ATOM 0 HB1 ALA A 99 12.151 -4.636 -0.963 1.00 55.55 H new ATOM 0 HB2 ALA A 99 10.585 -5.160 -0.299 1.00 55.55 H new ATOM 0 HB3 ALA A 99 11.983 -4.947 0.781 1.00 55.55 H new ATOM 1593 N SER A 100 14.180 -6.572 0.740 1.00 2.20 N ATOM 1594 CA SER A 100 15.633 -6.666 0.928 1.00 71.12 C ATOM 1595 C SER A 100 16.401 -5.525 0.237 1.00 54.14 C ATOM 1596 O SER A 100 17.319 -4.957 0.829 1.00 25.00 O ATOM 1597 CB SER A 100 16.159 -8.028 0.460 1.00 52.12 C ATOM 1598 OG SER A 100 15.516 -9.084 1.160 1.00 12.20 O ATOM 0 H SER A 100 13.676 -6.278 1.577 1.00 2.20 H new ATOM 0 HA SER A 100 15.812 -6.565 1.998 1.00 71.12 H new ATOM 0 HB2 SER A 100 15.990 -8.140 -0.611 1.00 52.12 H new ATOM 0 HB3 SER A 100 17.236 -8.082 0.620 1.00 52.12 H new ATOM 0 HG SER A 100 14.617 -9.220 0.794 1.00 12.20 H new ATOM 1604 N LEU A 101 16.025 -5.173 -0.996 1.00 73.20 N ATOM 1605 CA LEU A 101 16.729 -4.123 -1.752 1.00 65.40 C ATOM 1606 C LEU A 101 16.334 -2.717 -1.269 1.00 60.34 C ATOM 1607 O LEU A 101 16.265 -1.755 -2.047 1.00 25.43 O ATOM 1608 CB LEU A 101 16.480 -4.267 -3.268 1.00 22.25 C ATOM 1609 CG LEU A 101 15.103 -3.833 -3.793 1.00 10.53 C ATOM 1610 CD1 LEU A 101 15.148 -3.649 -5.302 1.00 10.55 C ATOM 1611 CD2 LEU A 101 14.027 -4.847 -3.432 1.00 53.23 C ATOM 0 H LEU A 101 15.241 -5.595 -1.494 1.00 73.20 H new ATOM 0 HA LEU A 101 17.796 -4.251 -1.567 1.00 65.40 H new ATOM 0 HB2 LEU A 101 17.240 -3.688 -3.793 1.00 22.25 H new ATOM 0 HB3 LEU A 101 16.632 -5.312 -3.538 1.00 22.25 H new ATOM 0 HG LEU A 101 14.852 -2.884 -3.319 1.00 10.53 H new ATOM 0 HD11 LEU A 101 14.166 -3.341 -5.660 1.00 10.55 H new ATOM 0 HD12 LEU A 101 15.882 -2.883 -5.553 1.00 10.55 H new ATOM 0 HD13 LEU A 101 15.429 -4.590 -5.775 1.00 10.55 H new ATOM 0 HD21 LEU A 101 13.065 -4.510 -3.818 1.00 53.23 H new ATOM 0 HD22 LEU A 101 14.276 -5.813 -3.871 1.00 53.23 H new ATOM 0 HD23 LEU A 101 13.969 -4.945 -2.348 1.00 53.23 H new ATOM 1623 N LEU A 102 16.145 -2.593 0.039 1.00 30.34 N ATOM 1624 CA LEU A 102 15.730 -1.338 0.655 1.00 40.24 C ATOM 1625 C LEU A 102 16.859 -0.316 0.629 1.00 12.33 C ATOM 1626 O LEU A 102 16.701 0.818 1.079 1.00 14.02 O ATOM 1627 CB LEU A 102 15.288 -1.582 2.098 1.00 75.43 C ATOM 1628 CG LEU A 102 14.179 -2.618 2.266 1.00 11.41 C ATOM 1629 CD1 LEU A 102 13.819 -2.777 3.731 1.00 54.50 C ATOM 1630 CD2 LEU A 102 12.953 -2.228 1.454 1.00 11.04 C ATOM 0 H LEU A 102 16.275 -3.358 0.702 1.00 30.34 H new ATOM 0 HA LEU A 102 14.892 -0.941 0.081 1.00 40.24 H new ATOM 0 HB2 LEU A 102 16.154 -1.901 2.678 1.00 75.43 H new ATOM 0 HB3 LEU A 102 14.950 -0.637 2.523 1.00 75.43 H new ATOM 0 HG LEU A 102 14.544 -3.575 1.895 1.00 11.41 H new ATOM 0 HD11 LEU A 102 13.027 -3.519 3.833 1.00 54.50 H new ATOM 0 HD12 LEU A 102 14.697 -3.105 4.288 1.00 54.50 H new ATOM 0 HD13 LEU A 102 13.474 -1.822 4.127 1.00 54.50 H new ATOM 0 HD21 LEU A 102 12.174 -2.979 1.587 1.00 11.04 H new ATOM 0 HD22 LEU A 102 12.585 -1.260 1.793 1.00 11.04 H new ATOM 0 HD23 LEU A 102 13.220 -2.166 0.399 1.00 11.04 H new ATOM 1642 N ASP A 103 17.998 -0.730 0.095 1.00 71.33 N ATOM 1643 CA ASP A 103 19.160 0.133 -0.013 1.00 15.40 C ATOM 1644 C ASP A 103 18.990 1.128 -1.154 1.00 54.10 C ATOM 1645 O ASP A 103 19.672 2.152 -1.205 1.00 24.11 O ATOM 1646 CB ASP A 103 20.419 -0.711 -0.228 1.00 4.12 C ATOM 1647 CG ASP A 103 20.367 -1.518 -1.509 1.00 60.01 C ATOM 1648 OD1 ASP A 103 19.612 -2.513 -1.559 1.00 14.22 O ATOM 1649 OD2 ASP A 103 21.074 -1.160 -2.473 1.00 44.24 O ATOM 0 H ASP A 103 18.141 -1.670 -0.274 1.00 71.33 H new ATOM 0 HA ASP A 103 19.262 0.694 0.916 1.00 15.40 H new ATOM 0 HB2 ASP A 103 21.291 -0.057 -0.250 1.00 4.12 H new ATOM 0 HB3 ASP A 103 20.548 -1.386 0.618 1.00 4.12 H new ATOM 1654 N LYS A 104 18.080 0.827 -2.068 1.00 72.41 N ATOM 1655 CA LYS A 104 17.814 1.718 -3.190 1.00 52.55 C ATOM 1656 C LYS A 104 16.366 2.196 -3.168 1.00 43.52 C ATOM 1657 O LYS A 104 16.059 3.309 -3.598 1.00 34.05 O ATOM 1658 CB LYS A 104 18.139 1.021 -4.515 1.00 23.00 C ATOM 1659 CG LYS A 104 17.230 -0.151 -4.841 1.00 52.25 C ATOM 1660 CD LYS A 104 17.958 -1.194 -5.671 1.00 31.11 C ATOM 1661 CE LYS A 104 19.016 -1.910 -4.843 1.00 2.03 C ATOM 1662 NZ LYS A 104 19.821 -2.857 -5.655 1.00 32.22 N ATOM 0 H LYS A 104 17.515 -0.022 -2.057 1.00 72.41 H new ATOM 0 HA LYS A 104 18.458 2.592 -3.097 1.00 52.55 H new ATOM 0 HB2 LYS A 104 18.075 1.751 -5.322 1.00 23.00 H new ATOM 0 HB3 LYS A 104 19.170 0.669 -4.484 1.00 23.00 H new ATOM 0 HG2 LYS A 104 16.870 -0.604 -3.917 1.00 52.25 H new ATOM 0 HG3 LYS A 104 16.354 0.204 -5.384 1.00 52.25 H new ATOM 0 HD2 LYS A 104 17.243 -1.919 -6.059 1.00 31.11 H new ATOM 0 HD3 LYS A 104 18.426 -0.717 -6.532 1.00 31.11 H new ATOM 0 HE2 LYS A 104 19.677 -1.173 -4.387 1.00 2.03 H new ATOM 0 HE3 LYS A 104 18.533 -2.452 -4.030 1.00 2.03 H new ATOM 0 HZ1 LYS A 104 20.528 -3.320 -5.049 1.00 32.22 H new ATOM 0 HZ2 LYS A 104 19.196 -3.577 -6.070 1.00 32.22 H new ATOM 0 HZ3 LYS A 104 20.304 -2.338 -6.416 1.00 32.22 H new ATOM 1676 N ILE A 105 15.472 1.359 -2.650 1.00 21.24 N ATOM 1677 CA ILE A 105 14.067 1.742 -2.517 1.00 51.24 C ATOM 1678 C ILE A 105 13.800 2.309 -1.125 1.00 44.01 C ATOM 1679 O ILE A 105 12.698 2.213 -0.600 1.00 70.12 O ATOM 1680 CB ILE A 105 13.133 0.542 -2.768 1.00 33.52 C ATOM 1681 CG1 ILE A 105 13.469 -0.592 -1.800 1.00 41.52 C ATOM 1682 CG2 ILE A 105 13.243 0.077 -4.213 1.00 62.02 C ATOM 1683 CD1 ILE A 105 12.646 -1.839 -1.999 1.00 54.33 C ATOM 0 H ILE A 105 15.690 0.420 -2.318 1.00 21.24 H new ATOM 0 HA ILE A 105 13.862 2.505 -3.268 1.00 51.24 H new ATOM 0 HB ILE A 105 12.102 0.851 -2.592 1.00 33.52 H new ATOM 0 HG12 ILE A 105 14.524 -0.845 -1.907 1.00 41.52 H new ATOM 0 HG13 ILE A 105 13.329 -0.237 -0.779 1.00 41.52 H new ATOM 0 HG21 ILE A 105 12.577 -0.771 -4.374 1.00 62.02 H new ATOM 0 HG22 ILE A 105 12.961 0.892 -4.880 1.00 62.02 H new ATOM 0 HG23 ILE A 105 14.270 -0.223 -4.421 1.00 62.02 H new ATOM 0 HD11 ILE A 105 12.947 -2.594 -1.272 1.00 54.33 H new ATOM 0 HD12 ILE A 105 11.591 -1.604 -1.862 1.00 54.33 H new ATOM 0 HD13 ILE A 105 12.804 -2.222 -3.007 1.00 54.33 H new ATOM 1695 N GLY A 106 14.825 2.903 -0.536 1.00 44.55 N ATOM 1696 CA GLY A 106 14.709 3.438 0.806 1.00 41.53 C ATOM 1697 C GLY A 106 13.716 4.581 0.917 1.00 73.13 C ATOM 1698 O GLY A 106 13.574 5.384 -0.009 1.00 72.13 O ATOM 0 H GLY A 106 15.742 3.025 -0.966 1.00 44.55 H new ATOM 0 HA2 GLY A 106 14.408 2.638 1.483 1.00 41.53 H new ATOM 0 HA3 GLY A 106 15.688 3.784 1.137 1.00 41.53 H new ATOM 1702 N GLU A 107 13.028 4.638 2.061 1.00 32.50 N ATOM 1703 CA GLU A 107 12.079 5.712 2.379 1.00 23.12 C ATOM 1704 C GLU A 107 10.859 5.713 1.457 1.00 1.51 C ATOM 1705 O GLU A 107 10.162 6.724 1.352 1.00 0.24 O ATOM 1706 CB GLU A 107 12.766 7.080 2.329 1.00 21.54 C ATOM 1707 CG GLU A 107 13.802 7.289 3.421 1.00 31.50 C ATOM 1708 CD GLU A 107 14.476 8.641 3.326 1.00 24.45 C ATOM 1709 OE1 GLU A 107 13.941 9.626 3.882 1.00 41.14 O ATOM 1710 OE2 GLU A 107 15.547 8.730 2.697 1.00 30.33 O ATOM 0 H GLU A 107 13.113 3.937 2.797 1.00 32.50 H new ATOM 0 HA GLU A 107 11.726 5.519 3.392 1.00 23.12 H new ATOM 0 HB2 GLU A 107 13.247 7.199 1.358 1.00 21.54 H new ATOM 0 HB3 GLU A 107 12.008 7.859 2.407 1.00 21.54 H new ATOM 0 HG2 GLU A 107 13.323 7.192 4.395 1.00 31.50 H new ATOM 0 HG3 GLU A 107 14.556 6.505 3.357 1.00 31.50 H new ATOM 1717 N ASP A 108 10.581 4.589 0.811 1.00 2.03 N ATOM 1718 CA ASP A 108 9.418 4.507 -0.068 1.00 23.10 C ATOM 1719 C ASP A 108 8.195 4.008 0.707 1.00 53.24 C ATOM 1720 O ASP A 108 7.091 4.525 0.547 1.00 45.34 O ATOM 1721 CB ASP A 108 9.708 3.604 -1.276 1.00 41.23 C ATOM 1722 CG ASP A 108 9.436 2.138 -1.013 1.00 41.53 C ATOM 1723 OD1 ASP A 108 10.073 1.557 -0.106 1.00 14.34 O ATOM 1724 OD2 ASP A 108 8.581 1.558 -1.710 1.00 1.41 O ATOM 0 H ASP A 108 11.133 3.734 0.875 1.00 2.03 H new ATOM 0 HA ASP A 108 9.200 5.507 -0.443 1.00 23.10 H new ATOM 0 HB2 ASP A 108 9.101 3.933 -2.119 1.00 41.23 H new ATOM 0 HB3 ASP A 108 10.751 3.725 -1.568 1.00 41.23 H new ATOM 1729 N HIS A 109 8.398 3.000 1.550 1.00 10.22 N ATOM 1730 CA HIS A 109 7.341 2.503 2.422 1.00 32.02 C ATOM 1731 C HIS A 109 7.673 2.792 3.883 1.00 44.21 C ATOM 1732 O HIS A 109 8.639 2.269 4.444 1.00 42.32 O ATOM 1733 CB HIS A 109 7.046 1.003 2.186 1.00 13.35 C ATOM 1734 CG HIS A 109 8.223 0.068 2.296 1.00 41.02 C ATOM 1735 ND1 HIS A 109 8.097 -1.303 2.190 1.00 75.24 N ATOM 1736 CD2 HIS A 109 9.544 0.301 2.487 1.00 45.14 C ATOM 1737 CE1 HIS A 109 9.283 -1.863 2.310 1.00 34.10 C ATOM 1738 NE2 HIS A 109 10.180 -0.914 2.492 1.00 63.43 N ATOM 0 H HIS A 109 9.288 2.511 1.647 1.00 10.22 H new ATOM 0 HA HIS A 109 6.425 3.038 2.170 1.00 32.02 H new ATOM 0 HB2 HIS A 109 6.288 0.686 2.903 1.00 13.35 H new ATOM 0 HB3 HIS A 109 6.611 0.891 1.193 1.00 13.35 H new ATOM 0 HD1 HIS A 109 7.221 -1.804 2.042 1.00 75.24 H new ATOM 0 HD2 HIS A 109 10.011 1.267 2.612 1.00 45.14 H new ATOM 0 HE1 HIS A 109 9.487 -2.923 2.267 1.00 34.10 H new ATOM 1747 N ILE A 110 6.870 3.653 4.483 1.00 71.12 N ATOM 1748 CA ILE A 110 7.110 4.126 5.840 1.00 65.33 C ATOM 1749 C ILE A 110 5.825 4.042 6.665 1.00 44.45 C ATOM 1750 O ILE A 110 4.956 3.219 6.382 1.00 64.03 O ATOM 1751 CB ILE A 110 7.662 5.586 5.869 1.00 52.23 C ATOM 1752 CG1 ILE A 110 6.615 6.617 5.397 1.00 24.04 C ATOM 1753 CG2 ILE A 110 8.935 5.699 5.036 1.00 71.01 C ATOM 1754 CD1 ILE A 110 6.238 6.538 3.931 1.00 20.44 C ATOM 0 H ILE A 110 6.035 4.044 4.047 1.00 71.12 H new ATOM 0 HA ILE A 110 7.870 3.478 6.276 1.00 65.33 H new ATOM 0 HB ILE A 110 7.898 5.817 6.908 1.00 52.23 H new ATOM 0 HG12 ILE A 110 5.712 6.491 5.994 1.00 24.04 H new ATOM 0 HG13 ILE A 110 6.997 7.617 5.603 1.00 24.04 H new ATOM 0 HG21 ILE A 110 9.302 6.725 5.070 1.00 71.01 H new ATOM 0 HG22 ILE A 110 9.694 5.028 5.438 1.00 71.01 H new ATOM 0 HG23 ILE A 110 8.720 5.425 4.003 1.00 71.01 H new ATOM 0 HD11 ILE A 110 5.497 7.305 3.704 1.00 20.44 H new ATOM 0 HD12 ILE A 110 7.125 6.698 3.318 1.00 20.44 H new ATOM 0 HD13 ILE A 110 5.820 5.555 3.715 1.00 20.44 H new ATOM 1766 N PHE A 111 5.712 4.879 7.687 1.00 72.54 N ATOM 1767 CA PHE A 111 4.544 4.870 8.552 1.00 2.53 C ATOM 1768 C PHE A 111 3.662 6.096 8.320 1.00 41.03 C ATOM 1769 O PHE A 111 3.904 6.884 7.405 1.00 24.24 O ATOM 1770 CB PHE A 111 4.973 4.791 10.018 1.00 5.05 C ATOM 1771 CG PHE A 111 5.675 3.508 10.348 1.00 40.23 C ATOM 1772 CD1 PHE A 111 4.956 2.333 10.480 1.00 24.22 C ATOM 1773 CD2 PHE A 111 7.049 3.474 10.521 1.00 44.21 C ATOM 1774 CE1 PHE A 111 5.593 1.145 10.775 1.00 42.42 C ATOM 1775 CE2 PHE A 111 7.692 2.288 10.818 1.00 3.11 C ATOM 1776 CZ PHE A 111 6.964 1.122 10.946 1.00 42.42 C ATOM 0 H PHE A 111 6.417 5.573 7.936 1.00 72.54 H new ATOM 0 HA PHE A 111 3.953 3.988 8.305 1.00 2.53 H new ATOM 0 HB2 PHE A 111 5.632 5.629 10.245 1.00 5.05 H new ATOM 0 HB3 PHE A 111 4.095 4.894 10.655 1.00 5.05 H new ATOM 0 HD1 PHE A 111 3.884 2.346 10.351 1.00 24.22 H new ATOM 0 HD2 PHE A 111 7.623 4.384 10.423 1.00 44.21 H new ATOM 0 HE1 PHE A 111 5.021 0.234 10.872 1.00 42.42 H new ATOM 0 HE2 PHE A 111 8.764 2.273 10.950 1.00 3.11 H new ATOM 0 HZ PHE A 111 7.465 0.194 11.179 1.00 42.42 H new ATOM 1786 N MET A 112 2.622 6.208 9.141 1.00 51.44 N ATOM 1787 CA MET A 112 1.672 7.326 9.107 1.00 12.21 C ATOM 1788 C MET A 112 2.368 8.686 8.974 1.00 2.33 C ATOM 1789 O MET A 112 2.944 9.192 9.939 1.00 32.52 O ATOM 1790 CB MET A 112 0.820 7.299 10.385 1.00 72.13 C ATOM 1791 CG MET A 112 -0.056 8.529 10.600 1.00 74.01 C ATOM 1792 SD MET A 112 -1.772 8.284 10.102 1.00 14.23 S ATOM 1793 CE MET A 112 -1.631 8.248 8.317 1.00 60.21 C ATOM 0 H MET A 112 2.409 5.517 9.860 1.00 51.44 H new ATOM 0 HA MET A 112 1.044 7.203 8.225 1.00 12.21 H new ATOM 0 HB2 MET A 112 0.181 6.416 10.360 1.00 72.13 H new ATOM 0 HB3 MET A 112 1.483 7.188 11.243 1.00 72.13 H new ATOM 0 HG2 MET A 112 -0.028 8.806 11.654 1.00 74.01 H new ATOM 0 HG3 MET A 112 0.361 9.365 10.039 1.00 74.01 H new ATOM 0 HE1 MET A 112 -2.331 7.518 7.911 1.00 60.21 H new ATOM 0 HE2 MET A 112 -1.861 9.234 7.914 1.00 60.21 H new ATOM 0 HE3 MET A 112 -0.615 7.970 8.038 1.00 60.21 H new ATOM 1803 N THR A 113 2.304 9.259 7.769 1.00 64.41 N ATOM 1804 CA THR A 113 2.853 10.592 7.501 1.00 11.44 C ATOM 1805 C THR A 113 2.791 10.932 6.005 1.00 41.43 C ATOM 1806 O THR A 113 2.746 12.104 5.634 1.00 13.11 O ATOM 1807 CB THR A 113 4.319 10.739 7.992 1.00 23.52 C ATOM 1808 OG1 THR A 113 4.757 12.095 7.841 1.00 1.41 O ATOM 1809 CG2 THR A 113 5.263 9.818 7.228 1.00 14.21 C ATOM 0 H THR A 113 1.874 8.816 6.957 1.00 64.41 H new ATOM 0 HA THR A 113 2.230 11.290 8.061 1.00 11.44 H new ATOM 0 HB THR A 113 4.341 10.457 9.045 1.00 23.52 H new ATOM 0 HG1 THR A 113 5.682 12.177 8.155 1.00 1.41 H new ATOM 0 HG21 THR A 113 6.279 9.949 7.600 1.00 14.21 H new ATOM 0 HG22 THR A 113 4.955 8.782 7.371 1.00 14.21 H new ATOM 0 HG23 THR A 113 5.230 10.063 6.166 1.00 14.21 H new ATOM 1817 N LEU A 114 2.769 9.902 5.160 1.00 41.53 N ATOM 1818 CA LEU A 114 2.801 10.069 3.700 1.00 42.54 C ATOM 1819 C LEU A 114 1.715 11.026 3.153 1.00 45.12 C ATOM 1820 O LEU A 114 2.026 11.853 2.297 1.00 13.34 O ATOM 1821 CB LEU A 114 2.711 8.695 3.027 1.00 15.50 C ATOM 1822 CG LEU A 114 2.775 8.672 1.494 1.00 33.31 C ATOM 1823 CD1 LEU A 114 3.998 9.411 0.978 1.00 34.43 C ATOM 1824 CD2 LEU A 114 2.786 7.238 1.006 1.00 20.32 C ATOM 0 H LEU A 114 2.729 8.929 5.463 1.00 41.53 H new ATOM 0 HA LEU A 114 3.751 10.545 3.456 1.00 42.54 H new ATOM 0 HB2 LEU A 114 3.521 8.075 3.411 1.00 15.50 H new ATOM 0 HB3 LEU A 114 1.777 8.226 3.335 1.00 15.50 H new ATOM 0 HG LEU A 114 1.892 9.182 1.108 1.00 33.31 H new ATOM 0 HD11 LEU A 114 4.012 9.375 -0.111 1.00 34.43 H new ATOM 0 HD12 LEU A 114 3.961 10.450 1.306 1.00 34.43 H new ATOM 0 HD13 LEU A 114 4.900 8.939 1.368 1.00 34.43 H new ATOM 0 HD21 LEU A 114 2.831 7.225 -0.083 1.00 20.32 H new ATOM 0 HD22 LEU A 114 3.656 6.722 1.412 1.00 20.32 H new ATOM 0 HD23 LEU A 114 1.878 6.734 1.337 1.00 20.32 H new ATOM 1836 N PRO A 115 0.438 10.942 3.614 1.00 30.24 N ATOM 1837 CA PRO A 115 -0.638 11.842 3.151 1.00 70.32 C ATOM 1838 C PRO A 115 -0.251 13.325 3.176 1.00 3.21 C ATOM 1839 O PRO A 115 -0.607 14.080 2.271 1.00 12.41 O ATOM 1840 CB PRO A 115 -1.804 11.581 4.124 1.00 20.33 C ATOM 1841 CG PRO A 115 -1.248 10.715 5.205 1.00 43.32 C ATOM 1842 CD PRO A 115 -0.083 9.964 4.574 1.00 71.14 C ATOM 0 HA PRO A 115 -0.881 11.637 2.108 1.00 70.32 H new ATOM 0 HB2 PRO A 115 -2.189 12.516 4.532 1.00 20.33 H new ATOM 0 HB3 PRO A 115 -2.633 11.088 3.617 1.00 20.33 H new ATOM 0 HG2 PRO A 115 -0.915 11.313 6.053 1.00 43.32 H new ATOM 0 HG3 PRO A 115 -2.003 10.023 5.580 1.00 43.32 H new ATOM 0 HD2 PRO A 115 0.666 9.681 5.313 1.00 71.14 H new ATOM 0 HD3 PRO A 115 -0.409 9.047 4.083 1.00 71.14 H new ATOM 1850 N THR A 116 0.469 13.748 4.208 1.00 21.20 N ATOM 1851 CA THR A 116 0.902 15.134 4.297 1.00 61.30 C ATOM 1852 C THR A 116 2.318 15.288 3.743 1.00 24.42 C ATOM 1853 O THR A 116 2.710 16.369 3.293 1.00 0.34 O ATOM 1854 CB THR A 116 0.838 15.674 5.747 1.00 33.04 C ATOM 1855 OG1 THR A 116 1.056 17.089 5.754 1.00 1.41 O ATOM 1856 CG2 THR A 116 1.874 14.997 6.634 1.00 62.34 C ATOM 0 H THR A 116 0.762 13.157 4.986 1.00 21.20 H new ATOM 0 HA THR A 116 0.212 15.725 3.695 1.00 61.30 H new ATOM 0 HB THR A 116 -0.153 15.453 6.143 1.00 33.04 H new ATOM 0 HG1 THR A 116 1.012 17.422 6.675 1.00 1.41 H new ATOM 0 HG21 THR A 116 1.804 15.397 7.645 1.00 62.34 H new ATOM 0 HG22 THR A 116 1.689 13.923 6.655 1.00 62.34 H new ATOM 0 HG23 THR A 116 2.872 15.185 6.237 1.00 62.34 H new ATOM 1864 N ALA A 117 3.071 14.189 3.750 1.00 3.41 N ATOM 1865 CA ALA A 117 4.432 14.188 3.236 1.00 55.45 C ATOM 1866 C ALA A 117 4.455 14.598 1.771 1.00 75.45 C ATOM 1867 O ALA A 117 5.231 15.463 1.382 1.00 74.21 O ATOM 1868 CB ALA A 117 5.072 12.820 3.416 1.00 35.25 C ATOM 0 H ALA A 117 2.757 13.287 4.108 1.00 3.41 H new ATOM 0 HA ALA A 117 5.010 14.916 3.805 1.00 55.45 H new ATOM 0 HB1 ALA A 117 6.089 12.840 3.025 1.00 35.25 H new ATOM 0 HB2 ALA A 117 5.095 12.566 4.476 1.00 35.25 H new ATOM 0 HB3 ALA A 117 4.491 12.072 2.876 1.00 35.25 H new ATOM 1874 N VAL A 118 3.578 13.996 0.969 1.00 23.20 N ATOM 1875 CA VAL A 118 3.502 14.320 -0.456 1.00 54.21 C ATOM 1876 C VAL A 118 3.228 15.808 -0.666 1.00 45.24 C ATOM 1877 O VAL A 118 3.784 16.426 -1.572 1.00 54.02 O ATOM 1878 CB VAL A 118 2.427 13.482 -1.190 1.00 34.22 C ATOM 1879 CG1 VAL A 118 2.839 12.022 -1.251 1.00 20.41 C ATOM 1880 CG2 VAL A 118 1.067 13.620 -0.520 1.00 32.34 C ATOM 0 H VAL A 118 2.914 13.286 1.278 1.00 23.20 H new ATOM 0 HA VAL A 118 4.473 14.070 -0.884 1.00 54.21 H new ATOM 0 HB VAL A 118 2.343 13.866 -2.207 1.00 34.22 H new ATOM 0 HG11 VAL A 118 2.071 11.449 -1.770 1.00 20.41 H new ATOM 0 HG12 VAL A 118 3.784 11.933 -1.787 1.00 20.41 H new ATOM 0 HG13 VAL A 118 2.958 11.635 -0.239 1.00 20.41 H new ATOM 0 HG21 VAL A 118 0.334 13.020 -1.059 1.00 32.34 H new ATOM 0 HG22 VAL A 118 1.133 13.273 0.511 1.00 32.34 H new ATOM 0 HG23 VAL A 118 0.760 14.666 -0.532 1.00 32.34 H new ATOM 1890 N GLN A 119 2.397 16.382 0.197 1.00 2.44 N ATOM 1891 CA GLN A 119 2.107 17.809 0.149 1.00 2.22 C ATOM 1892 C GLN A 119 3.383 18.610 0.383 1.00 71.43 C ATOM 1893 O GLN A 119 3.739 19.488 -0.405 1.00 55.13 O ATOM 1894 CB GLN A 119 1.064 18.171 1.208 1.00 24.14 C ATOM 1895 CG GLN A 119 0.796 19.663 1.316 1.00 34.31 C ATOM 1896 CD GLN A 119 -0.165 20.015 2.435 1.00 55.42 C ATOM 1897 OE1 GLN A 119 -0.912 20.989 2.337 1.00 10.24 O ATOM 1898 NE2 GLN A 119 -0.141 19.250 3.517 1.00 21.22 N ATOM 0 H GLN A 119 1.912 15.879 0.940 1.00 2.44 H new ATOM 0 HA GLN A 119 1.710 18.053 -0.836 1.00 2.22 H new ATOM 0 HB2 GLN A 119 0.130 17.659 0.976 1.00 24.14 H new ATOM 0 HB3 GLN A 119 1.399 17.800 2.177 1.00 24.14 H new ATOM 0 HG2 GLN A 119 1.739 20.185 1.478 1.00 34.31 H new ATOM 0 HG3 GLN A 119 0.391 20.023 0.370 1.00 34.31 H new ATOM 0 HE21 GLN A 119 0.491 18.451 3.563 1.00 21.22 H new ATOM 0 HE22 GLN A 119 -0.755 19.460 4.304 1.00 21.22 H new ATOM 1907 N ALA A 120 4.078 18.274 1.463 1.00 30.13 N ATOM 1908 CA ALA A 120 5.305 18.961 1.836 1.00 21.55 C ATOM 1909 C ALA A 120 6.390 18.758 0.787 1.00 62.25 C ATOM 1910 O ALA A 120 7.222 19.633 0.571 1.00 71.31 O ATOM 1911 CB ALA A 120 5.790 18.485 3.199 1.00 45.22 C ATOM 0 H ALA A 120 3.809 17.524 2.099 1.00 30.13 H new ATOM 0 HA ALA A 120 5.087 20.027 1.894 1.00 21.55 H new ATOM 0 HB1 ALA A 120 6.709 19.009 3.462 1.00 45.22 H new ATOM 0 HB2 ALA A 120 5.027 18.692 3.949 1.00 45.22 H new ATOM 0 HB3 ALA A 120 5.982 17.413 3.163 1.00 45.22 H new ATOM 1917 N PHE A 121 6.377 17.605 0.132 1.00 24.13 N ATOM 1918 CA PHE A 121 7.376 17.297 -0.884 1.00 12.22 C ATOM 1919 C PHE A 121 7.047 17.959 -2.220 1.00 10.53 C ATOM 1920 O PHE A 121 7.919 18.104 -3.076 1.00 43.03 O ATOM 1921 CB PHE A 121 7.519 15.783 -1.070 1.00 11.53 C ATOM 1922 CG PHE A 121 8.112 15.077 0.120 1.00 52.25 C ATOM 1923 CD1 PHE A 121 9.103 15.683 0.877 1.00 11.55 C ATOM 1924 CD2 PHE A 121 7.678 13.811 0.480 1.00 50.24 C ATOM 1925 CE1 PHE A 121 9.650 15.038 1.970 1.00 31.50 C ATOM 1926 CE2 PHE A 121 8.224 13.162 1.572 1.00 53.24 C ATOM 1927 CZ PHE A 121 9.209 13.777 2.316 1.00 52.02 C ATOM 0 H PHE A 121 5.688 16.869 0.285 1.00 24.13 H new ATOM 0 HA PHE A 121 8.325 17.701 -0.532 1.00 12.22 H new ATOM 0 HB2 PHE A 121 6.538 15.358 -1.281 1.00 11.53 H new ATOM 0 HB3 PHE A 121 8.143 15.591 -1.943 1.00 11.53 H new ATOM 0 HD1 PHE A 121 9.451 16.670 0.610 1.00 11.55 H new ATOM 0 HD2 PHE A 121 6.905 13.326 -0.098 1.00 50.24 H new ATOM 0 HE1 PHE A 121 10.421 15.520 2.552 1.00 31.50 H new ATOM 0 HE2 PHE A 121 7.880 12.175 1.842 1.00 53.24 H new ATOM 0 HZ PHE A 121 9.635 13.271 3.170 1.00 52.02 H new ATOM 1937 N ARG A 122 5.795 18.362 -2.405 1.00 11.52 N ATOM 1938 CA ARG A 122 5.390 18.990 -3.659 1.00 5.41 C ATOM 1939 C ARG A 122 5.691 20.486 -3.687 1.00 45.23 C ATOM 1940 O ARG A 122 6.346 20.963 -4.612 1.00 64.50 O ATOM 1941 CB ARG A 122 3.908 18.733 -3.953 1.00 31.31 C ATOM 1942 CG ARG A 122 3.653 17.372 -4.581 1.00 24.12 C ATOM 1943 CD ARG A 122 4.407 17.229 -5.894 1.00 73.22 C ATOM 1944 NE ARG A 122 4.262 15.903 -6.481 1.00 34.44 N ATOM 1945 CZ ARG A 122 5.179 15.325 -7.254 1.00 74.14 C ATOM 1946 NH1 ARG A 122 6.343 15.920 -7.486 1.00 15.30 N ATOM 1947 NH2 ARG A 122 4.937 14.134 -7.772 1.00 10.54 N ATOM 0 H ARG A 122 5.051 18.267 -1.714 1.00 11.52 H new ATOM 0 HA ARG A 122 5.986 18.527 -4.445 1.00 5.41 H new ATOM 0 HB2 ARG A 122 3.341 18.811 -3.026 1.00 31.31 H new ATOM 0 HB3 ARG A 122 3.536 19.510 -4.620 1.00 31.31 H new ATOM 0 HG2 ARG A 122 3.962 16.586 -3.892 1.00 24.12 H new ATOM 0 HG3 ARG A 122 2.585 17.242 -4.755 1.00 24.12 H new ATOM 0 HD2 ARG A 122 4.045 17.977 -6.600 1.00 73.22 H new ATOM 0 HD3 ARG A 122 5.464 17.435 -5.726 1.00 73.22 H new ATOM 0 HE ARG A 122 3.405 15.386 -6.288 1.00 34.44 H new ATOM 0 HH11 ARG A 122 6.543 16.830 -7.070 1.00 15.30 H new ATOM 0 HH12 ARG A 122 7.038 15.467 -8.080 1.00 15.30 H new ATOM 0 HH21 ARG A 122 4.053 13.664 -7.579 1.00 10.54 H new ATOM 0 HH22 ARG A 122 5.634 13.685 -8.365 1.00 10.54 H new ATOM 1961 N ARG A 123 5.230 21.234 -2.692 1.00 62.21 N ATOM 1962 CA ARG A 123 5.431 22.681 -2.713 1.00 31.20 C ATOM 1963 C ARG A 123 6.616 23.086 -1.841 1.00 64.10 C ATOM 1964 O ARG A 123 7.071 24.227 -1.899 1.00 44.11 O ATOM 1965 CB ARG A 123 4.147 23.431 -2.307 1.00 41.21 C ATOM 1966 CG ARG A 123 4.018 23.800 -0.829 1.00 74.33 C ATOM 1967 CD ARG A 123 3.915 22.589 0.079 1.00 55.53 C ATOM 1968 NE ARG A 123 3.057 22.847 1.235 1.00 34.32 N ATOM 1969 CZ ARG A 123 3.450 22.769 2.505 1.00 41.10 C ATOM 1970 NH1 ARG A 123 4.735 22.616 2.813 1.00 32.24 N ATOM 1971 NH2 ARG A 123 2.554 22.906 3.469 1.00 10.13 N ATOM 0 H ARG A 123 4.727 20.877 -1.880 1.00 62.21 H new ATOM 0 HA ARG A 123 5.665 22.969 -3.738 1.00 31.20 H new ATOM 0 HB2 ARG A 123 4.085 24.347 -2.895 1.00 41.21 H new ATOM 0 HB3 ARG A 123 3.290 22.816 -2.582 1.00 41.21 H new ATOM 0 HG2 ARG A 123 4.881 24.397 -0.533 1.00 74.33 H new ATOM 0 HG3 ARG A 123 3.136 24.425 -0.692 1.00 74.33 H new ATOM 0 HD2 ARG A 123 3.520 21.744 -0.485 1.00 55.53 H new ATOM 0 HD3 ARG A 123 4.910 22.306 0.421 1.00 55.53 H new ATOM 0 HE ARG A 123 2.087 23.106 1.055 1.00 34.32 H new ATOM 0 HH11 ARG A 123 5.434 22.557 2.072 1.00 32.24 H new ATOM 0 HH12 ARG A 123 5.022 22.558 3.790 1.00 32.24 H new ATOM 0 HH21 ARG A 123 1.575 23.069 3.236 1.00 10.13 H new ATOM 0 HH22 ARG A 123 2.843 22.848 4.446 1.00 10.13 H new ATOM 1985 N ARG A 124 7.114 22.127 -1.060 1.00 54.14 N ATOM 1986 CA ARG A 124 8.242 22.346 -0.154 1.00 22.54 C ATOM 1987 C ARG A 124 8.000 23.567 0.725 1.00 64.10 C ATOM 1988 O ARG A 124 8.753 24.557 0.606 1.00 41.24 O ATOM 1989 CB ARG A 124 9.550 22.494 -0.941 1.00 34.21 C ATOM 1990 CG ARG A 124 9.866 21.305 -1.839 1.00 21.43 C ATOM 1991 CD ARG A 124 9.935 20.005 -1.052 1.00 54.23 C ATOM 1992 NE ARG A 124 11.054 19.977 -0.108 1.00 60.31 N ATOM 1993 CZ ARG A 124 10.950 19.585 1.166 1.00 43.44 C ATOM 1994 NH1 ARG A 124 9.760 19.299 1.679 1.00 54.30 N ATOM 1995 NH2 ARG A 124 12.035 19.502 1.931 1.00 4.52 N ATOM 0 H ARG A 124 6.746 21.176 -1.038 1.00 54.14 H new ATOM 0 HA ARG A 124 8.332 21.474 0.494 1.00 22.54 H new ATOM 0 HB2 ARG A 124 9.495 23.395 -1.553 1.00 34.21 H new ATOM 0 HB3 ARG A 124 10.372 22.635 -0.239 1.00 34.21 H new ATOM 0 HG2 ARG A 124 9.103 21.221 -2.613 1.00 21.43 H new ATOM 0 HG3 ARG A 124 10.816 21.474 -2.345 1.00 21.43 H new ATOM 0 HD2 ARG A 124 9.001 19.864 -0.507 1.00 54.23 H new ATOM 0 HD3 ARG A 124 10.028 19.169 -1.745 1.00 54.23 H new ATOM 0 HE ARG A 124 11.970 20.275 -0.443 1.00 60.31 H new ATOM 0 HH11 ARG A 124 8.923 19.378 1.101 1.00 54.30 H new ATOM 0 HH12 ARG A 124 9.682 19.000 2.651 1.00 54.30 H new ATOM 0 HH21 ARG A 124 12.950 19.738 1.546 1.00 4.52 H new ATOM 0 HH22 ARG A 124 11.952 19.203 2.903 1.00 4.52 H new TER 2009 ARG A 124