USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 637 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 10 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0147) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 168:sc= -0.0621 (180deg=-0.358) USER MOD Set 2.1: A 38 GLN : amide:sc= -2.55 K(o=-1.8,f=-5.9!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -124:sc= 0.786 (180deg=0) USER MOD Set 3.1: A 37 GLN : amide:sc= 0.235 K(o=-0.26,f=-7.3!) USER MOD Set 3.2: A 51 TYR OH : rot -179:sc= -0.0698 USER MOD Set 3.3: A 58 SER OG : rot -103:sc= -0.424 USER MOD Set 4.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 18 LYS NZ :NH3+ 175:sc= 0.00173 (180deg=0.00111) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0911 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.786 X(o=-0.79,f=-0.93) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= -0.0274 (180deg=-0.272) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 13 THR OG1 : rot -81:sc= 0.282 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.319 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0349 F(o=-1.8!,f=-0.035) USER MOD Single : A 28 HIS : no HD1:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.0745 F(o=-1.1,f=-0.074) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0035 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.412 F(o=-0.31,f=0.41) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.707 K(o=-0.71,f=-5.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.483 -2.008 2.453 1.00 44.11 N ATOM 2 CA GLY A 1 -3.255 -2.384 3.129 1.00 44.23 C ATOM 3 C GLY A 1 -2.149 -2.754 2.160 1.00 74.13 C ATOM 4 O GLY A 1 -2.316 -2.642 0.945 1.00 10.22 O ATOM 0 H1 GLY A 1 -4.772 -1.057 2.761 1.00 44.11 H new ATOM 0 H2 GLY A 1 -4.327 -2.006 1.425 1.00 44.11 H new ATOM 0 H3 GLY A 1 -5.232 -2.690 2.688 1.00 44.11 H new ATOM 0 HA2 GLY A 1 -2.922 -1.558 3.757 1.00 44.23 H new ATOM 0 HA3 GLY A 1 -3.452 -3.228 3.790 1.00 44.23 H new ATOM 8 N SER A 2 -1.017 -3.196 2.697 1.00 44.40 N ATOM 9 CA SER A 2 0.123 -3.578 1.871 1.00 33.44 C ATOM 10 C SER A 2 0.245 -5.097 1.785 1.00 4.32 C ATOM 11 O SER A 2 1.048 -5.706 2.491 1.00 72.42 O ATOM 12 CB SER A 2 1.413 -2.982 2.438 1.00 70.44 C ATOM 13 OG SER A 2 2.488 -3.137 1.528 1.00 43.33 O ATOM 0 H SER A 2 -0.864 -3.299 3.700 1.00 44.40 H new ATOM 0 HA SER A 2 -0.038 -3.186 0.867 1.00 33.44 H new ATOM 0 HB2 SER A 2 1.265 -1.924 2.654 1.00 70.44 H new ATOM 0 HB3 SER A 2 1.658 -3.469 3.382 1.00 70.44 H new ATOM 0 HG SER A 2 3.301 -2.747 1.912 1.00 43.33 H new ATOM 19 N ASN A 3 -0.557 -5.700 0.915 1.00 70.45 N ATOM 20 CA ASN A 3 -0.540 -7.148 0.735 1.00 3.34 C ATOM 21 C ASN A 3 -1.082 -7.532 -0.638 1.00 23.31 C ATOM 22 O ASN A 3 -2.051 -6.947 -1.119 1.00 34.20 O ATOM 23 CB ASN A 3 -1.364 -7.828 1.830 1.00 11.22 C ATOM 24 CG ASN A 3 -0.606 -7.942 3.139 1.00 43.35 C ATOM 25 OD1 ASN A 3 -0.786 -7.130 4.046 1.00 11.41 O ATOM 26 ND2 ASN A 3 0.249 -8.953 3.241 1.00 72.02 N ATOM 0 H ASN A 3 -1.227 -5.209 0.323 1.00 70.45 H new ATOM 0 HA ASN A 3 0.494 -7.486 0.805 1.00 3.34 H new ATOM 0 HB2 ASN A 3 -2.282 -7.264 1.993 1.00 11.22 H new ATOM 0 HB3 ASN A 3 -1.657 -8.823 1.495 1.00 11.22 H new ATOM 0 HD21 ASN A 3 0.789 -9.080 4.097 1.00 72.02 H new ATOM 0 HD22 ASN A 3 0.366 -9.602 2.463 1.00 72.02 H new ATOM 33 N GLU A 4 -0.448 -8.520 -1.263 1.00 34.34 N ATOM 34 CA GLU A 4 -0.867 -8.983 -2.581 1.00 15.54 C ATOM 35 C GLU A 4 -2.251 -9.622 -2.518 1.00 75.21 C ATOM 36 O GLU A 4 -2.560 -10.373 -1.593 1.00 20.43 O ATOM 37 CB GLU A 4 0.145 -9.985 -3.140 1.00 12.53 C ATOM 38 CG GLU A 4 0.289 -11.240 -2.296 1.00 13.34 C ATOM 39 CD GLU A 4 1.428 -12.127 -2.759 1.00 13.00 C ATOM 40 OE1 GLU A 4 2.598 -11.764 -2.521 1.00 3.33 O ATOM 41 OE2 GLU A 4 1.148 -13.185 -3.360 1.00 34.40 O ATOM 0 H GLU A 4 0.357 -9.015 -0.878 1.00 34.34 H new ATOM 0 HA GLU A 4 -0.915 -8.119 -3.243 1.00 15.54 H new ATOM 0 HB2 GLU A 4 -0.156 -10.268 -4.149 1.00 12.53 H new ATOM 0 HB3 GLU A 4 1.117 -9.499 -3.222 1.00 12.53 H new ATOM 0 HG2 GLU A 4 0.453 -10.957 -1.256 1.00 13.34 H new ATOM 0 HG3 GLU A 4 -0.643 -11.805 -2.329 1.00 13.34 H new ATOM 48 N LYS A 5 -3.082 -9.318 -3.509 1.00 74.45 N ATOM 49 CA LYS A 5 -4.434 -9.863 -3.570 1.00 3.22 C ATOM 50 C LYS A 5 -4.596 -10.785 -4.774 1.00 44.21 C ATOM 51 O LYS A 5 -4.849 -10.343 -5.895 1.00 12.01 O ATOM 52 CB LYS A 5 -5.460 -8.729 -3.640 1.00 65.34 C ATOM 53 CG LYS A 5 -5.246 -7.650 -2.594 1.00 1.43 C ATOM 54 CD LYS A 5 -4.348 -6.539 -3.113 1.00 62.41 C ATOM 55 CE LYS A 5 -4.511 -5.264 -2.300 1.00 75.15 C ATOM 56 NZ LYS A 5 -5.840 -4.630 -2.525 1.00 40.11 N ATOM 0 H LYS A 5 -2.843 -8.697 -4.282 1.00 74.45 H new ATOM 0 HA LYS A 5 -4.605 -10.445 -2.664 1.00 3.22 H new ATOM 0 HB2 LYS A 5 -5.421 -8.276 -4.631 1.00 65.34 H new ATOM 0 HB3 LYS A 5 -6.460 -9.147 -3.520 1.00 65.34 H new ATOM 0 HG2 LYS A 5 -6.209 -7.233 -2.299 1.00 1.43 H new ATOM 0 HG3 LYS A 5 -4.802 -8.091 -1.701 1.00 1.43 H new ATOM 0 HD2 LYS A 5 -3.308 -6.864 -3.077 1.00 62.41 H new ATOM 0 HD3 LYS A 5 -4.583 -6.338 -4.158 1.00 62.41 H new ATOM 0 HE2 LYS A 5 -4.391 -5.491 -1.241 1.00 75.15 H new ATOM 0 HE3 LYS A 5 -3.723 -4.560 -2.566 1.00 75.15 H new ATOM 0 HZ1 LYS A 5 -5.804 -3.634 -2.229 1.00 40.11 H new ATOM 0 HZ2 LYS A 5 -6.083 -4.683 -3.535 1.00 40.11 H new ATOM 0 HZ3 LYS A 5 -6.562 -5.130 -1.968 1.00 40.11 H new ATOM 70 N PRO A 6 -4.447 -12.097 -4.540 1.00 33.22 N ATOM 71 CA PRO A 6 -4.575 -13.109 -5.593 1.00 50.31 C ATOM 72 C PRO A 6 -6.012 -13.258 -6.082 1.00 24.40 C ATOM 73 O PRO A 6 -6.943 -12.724 -5.479 1.00 44.55 O ATOM 74 CB PRO A 6 -4.106 -14.395 -4.908 1.00 54.03 C ATOM 75 CG PRO A 6 -4.358 -14.165 -3.458 1.00 61.31 C ATOM 76 CD PRO A 6 -4.144 -12.695 -3.229 1.00 13.35 C ATOM 0 HA PRO A 6 -3.999 -12.849 -6.481 1.00 50.31 H new ATOM 0 HB2 PRO A 6 -4.657 -15.262 -5.273 1.00 54.03 H new ATOM 0 HB3 PRO A 6 -3.050 -14.584 -5.101 1.00 54.03 H new ATOM 0 HG2 PRO A 6 -5.372 -14.459 -3.187 1.00 61.31 H new ATOM 0 HG3 PRO A 6 -3.680 -14.758 -2.845 1.00 61.31 H new ATOM 0 HD2 PRO A 6 -4.802 -12.310 -2.450 1.00 13.35 H new ATOM 0 HD3 PRO A 6 -3.122 -12.482 -2.917 1.00 13.35 H new ATOM 84 N LYS A 7 -6.186 -13.990 -7.178 1.00 4.43 N ATOM 85 CA LYS A 7 -7.509 -14.212 -7.748 1.00 12.15 C ATOM 86 C LYS A 7 -7.660 -15.652 -8.227 1.00 33.23 C ATOM 87 O LYS A 7 -6.692 -16.279 -8.656 1.00 24.23 O ATOM 88 CB LYS A 7 -7.755 -13.248 -8.910 1.00 41.14 C ATOM 89 CG LYS A 7 -7.583 -11.786 -8.535 1.00 73.13 C ATOM 90 CD LYS A 7 -8.775 -11.269 -7.747 1.00 52.15 C ATOM 91 CE LYS A 7 -9.950 -10.951 -8.659 1.00 74.12 C ATOM 92 NZ LYS A 7 -9.827 -9.600 -9.273 1.00 1.34 N ATOM 0 H LYS A 7 -5.426 -14.440 -7.689 1.00 4.43 H new ATOM 0 HA LYS A 7 -8.248 -14.027 -6.969 1.00 12.15 H new ATOM 0 HB2 LYS A 7 -7.069 -13.489 -9.722 1.00 41.14 H new ATOM 0 HB3 LYS A 7 -8.765 -13.400 -9.290 1.00 41.14 H new ATOM 0 HG2 LYS A 7 -6.675 -11.665 -7.944 1.00 73.13 H new ATOM 0 HG3 LYS A 7 -7.457 -11.190 -9.439 1.00 73.13 H new ATOM 0 HD2 LYS A 7 -9.076 -12.014 -7.010 1.00 52.15 H new ATOM 0 HD3 LYS A 7 -8.488 -10.373 -7.196 1.00 52.15 H new ATOM 0 HE2 LYS A 7 -10.013 -11.703 -9.446 1.00 74.12 H new ATOM 0 HE3 LYS A 7 -10.877 -11.008 -8.089 1.00 74.12 H new ATOM 0 HZ1 LYS A 7 -10.647 -9.422 -9.887 1.00 1.34 H new ATOM 0 HZ2 LYS A 7 -9.793 -8.880 -8.523 1.00 1.34 H new ATOM 0 HZ3 LYS A 7 -8.955 -9.553 -9.838 1.00 1.34 H new ATOM 106 N VAL A 8 -8.882 -16.171 -8.152 1.00 40.21 N ATOM 107 CA VAL A 8 -9.160 -17.536 -8.581 1.00 32.32 C ATOM 108 C VAL A 8 -10.319 -17.576 -9.570 1.00 75.31 C ATOM 109 O VAL A 8 -11.200 -16.716 -9.547 1.00 72.31 O ATOM 110 CB VAL A 8 -9.492 -18.445 -7.382 1.00 5.53 C ATOM 111 CG1 VAL A 8 -10.816 -18.038 -6.754 1.00 32.41 C ATOM 112 CG2 VAL A 8 -9.521 -19.904 -7.811 1.00 4.40 C ATOM 0 H VAL A 8 -9.695 -15.666 -7.798 1.00 40.21 H new ATOM 0 HA VAL A 8 -8.257 -17.904 -9.068 1.00 32.32 H new ATOM 0 HB VAL A 8 -8.710 -18.327 -6.632 1.00 5.53 H new ATOM 0 HG11 VAL A 8 -11.034 -18.691 -5.909 1.00 32.41 H new ATOM 0 HG12 VAL A 8 -10.753 -17.006 -6.408 1.00 32.41 H new ATOM 0 HG13 VAL A 8 -11.612 -18.125 -7.494 1.00 32.41 H new ATOM 0 HG21 VAL A 8 -9.757 -20.531 -6.951 1.00 4.40 H new ATOM 0 HG22 VAL A 8 -10.281 -20.042 -8.580 1.00 4.40 H new ATOM 0 HG23 VAL A 8 -8.546 -20.186 -8.209 1.00 4.40 H new ATOM 122 N LYS A 9 -10.314 -18.581 -10.439 1.00 61.42 N ATOM 123 CA LYS A 9 -11.366 -18.736 -11.437 1.00 64.41 C ATOM 124 C LYS A 9 -12.738 -18.804 -10.775 1.00 71.20 C ATOM 125 O LYS A 9 -13.713 -18.253 -11.286 1.00 13.33 O ATOM 126 CB LYS A 9 -11.126 -19.999 -12.269 1.00 1.53 C ATOM 127 CG LYS A 9 -9.762 -20.037 -12.937 1.00 32.05 C ATOM 128 CD LYS A 9 -9.646 -18.986 -14.027 1.00 44.34 C ATOM 129 CE LYS A 9 -8.232 -18.914 -14.584 1.00 61.51 C ATOM 130 NZ LYS A 9 -8.041 -17.727 -15.462 1.00 4.22 N ATOM 0 H LYS A 9 -9.592 -19.301 -10.472 1.00 61.42 H new ATOM 0 HA LYS A 9 -11.341 -17.866 -12.093 1.00 64.41 H new ATOM 0 HB2 LYS A 9 -11.231 -20.873 -11.626 1.00 1.53 H new ATOM 0 HB3 LYS A 9 -11.898 -20.072 -13.035 1.00 1.53 H new ATOM 0 HG2 LYS A 9 -8.985 -19.875 -12.190 1.00 32.05 H new ATOM 0 HG3 LYS A 9 -9.592 -21.025 -13.364 1.00 32.05 H new ATOM 0 HD2 LYS A 9 -10.344 -19.217 -14.832 1.00 44.34 H new ATOM 0 HD3 LYS A 9 -9.931 -18.013 -13.627 1.00 44.34 H new ATOM 0 HE2 LYS A 9 -7.519 -18.875 -13.760 1.00 61.51 H new ATOM 0 HE3 LYS A 9 -8.018 -19.821 -15.149 1.00 61.51 H new ATOM 0 HZ1 LYS A 9 -7.065 -17.714 -15.821 1.00 4.22 H new ATOM 0 HZ2 LYS A 9 -8.704 -17.777 -16.262 1.00 4.22 H new ATOM 0 HZ3 LYS A 9 -8.221 -16.860 -14.917 1.00 4.22 H new ATOM 144 N LYS A 10 -12.807 -19.483 -9.635 1.00 0.33 N ATOM 145 CA LYS A 10 -14.059 -19.621 -8.900 1.00 51.34 C ATOM 146 C LYS A 10 -14.612 -18.255 -8.506 1.00 50.23 C ATOM 147 O LYS A 10 -15.819 -18.091 -8.328 1.00 55.54 O ATOM 148 CB LYS A 10 -13.849 -20.478 -7.650 1.00 51.30 C ATOM 149 CG LYS A 10 -13.743 -21.964 -7.942 1.00 73.44 C ATOM 150 CD LYS A 10 -12.355 -22.338 -8.435 1.00 74.51 C ATOM 151 CE LYS A 10 -12.144 -23.845 -8.414 1.00 42.44 C ATOM 152 NZ LYS A 10 -11.893 -24.351 -7.036 1.00 51.45 N ATOM 0 H LYS A 10 -12.010 -19.947 -9.200 1.00 0.33 H new ATOM 0 HA LYS A 10 -14.782 -20.112 -9.552 1.00 51.34 H new ATOM 0 HB2 LYS A 10 -12.941 -20.150 -7.143 1.00 51.30 H new ATOM 0 HB3 LYS A 10 -14.677 -20.310 -6.961 1.00 51.30 H new ATOM 0 HG2 LYS A 10 -13.975 -22.530 -7.040 1.00 73.44 H new ATOM 0 HG3 LYS A 10 -14.484 -22.242 -8.692 1.00 73.44 H new ATOM 0 HD2 LYS A 10 -12.215 -21.964 -9.449 1.00 74.51 H new ATOM 0 HD3 LYS A 10 -11.603 -21.855 -7.810 1.00 74.51 H new ATOM 0 HE2 LYS A 10 -13.022 -24.340 -8.828 1.00 42.44 H new ATOM 0 HE3 LYS A 10 -11.301 -24.103 -9.055 1.00 42.44 H new ATOM 0 HZ1 LYS A 10 -11.671 -25.366 -7.074 1.00 51.45 H new ATOM 0 HZ2 LYS A 10 -11.092 -23.837 -6.618 1.00 51.45 H new ATOM 0 HZ3 LYS A 10 -12.741 -24.204 -6.452 1.00 51.45 H new ATOM 166 N HIS A 11 -13.722 -17.277 -8.373 1.00 4.11 N ATOM 167 CA HIS A 11 -14.122 -15.924 -8.002 1.00 24.11 C ATOM 168 C HIS A 11 -15.135 -15.366 -8.996 1.00 14.51 C ATOM 169 O HIS A 11 -15.913 -14.470 -8.666 1.00 52.32 O ATOM 170 CB HIS A 11 -12.899 -15.009 -7.934 1.00 2.40 C ATOM 171 CG HIS A 11 -13.197 -13.651 -7.377 1.00 55.20 C ATOM 172 ND1 HIS A 11 -13.510 -12.565 -8.168 1.00 33.23 N ATOM 173 CD2 HIS A 11 -13.231 -13.206 -6.099 1.00 55.11 C ATOM 174 CE1 HIS A 11 -13.722 -11.511 -7.400 1.00 50.13 C ATOM 175 NE2 HIS A 11 -13.560 -11.873 -6.141 1.00 24.15 N ATOM 0 H HIS A 11 -12.719 -17.396 -8.517 1.00 4.11 H new ATOM 0 HA HIS A 11 -14.590 -15.966 -7.018 1.00 24.11 H new ATOM 0 HB2 HIS A 11 -12.134 -15.484 -7.321 1.00 2.40 H new ATOM 0 HB3 HIS A 11 -12.482 -14.899 -8.935 1.00 2.40 H new ATOM 0 HD2 HIS A 11 -13.036 -13.790 -5.212 1.00 55.11 H new ATOM 0 HE1 HIS A 11 -13.983 -10.521 -7.744 1.00 50.13 H new ATOM 0 HE2 HIS A 11 -13.662 -11.262 -5.331 1.00 24.15 H new ATOM 184 N ILE A 12 -15.120 -15.900 -10.212 1.00 51.34 N ATOM 185 CA ILE A 12 -16.038 -15.454 -11.253 1.00 72.43 C ATOM 186 C ILE A 12 -17.480 -15.470 -10.758 1.00 13.02 C ATOM 187 O ILE A 12 -18.309 -14.673 -11.199 1.00 12.04 O ATOM 188 CB ILE A 12 -15.930 -16.334 -12.513 1.00 15.01 C ATOM 189 CG1 ILE A 12 -16.737 -15.721 -13.660 1.00 21.32 C ATOM 190 CG2 ILE A 12 -16.411 -17.746 -12.215 1.00 75.34 C ATOM 191 CD1 ILE A 12 -16.220 -16.097 -15.031 1.00 25.34 C ATOM 0 H ILE A 12 -14.483 -16.642 -10.501 1.00 51.34 H new ATOM 0 HA ILE A 12 -15.755 -14.433 -11.507 1.00 72.43 H new ATOM 0 HB ILE A 12 -14.884 -16.384 -12.816 1.00 15.01 H new ATOM 0 HG12 ILE A 12 -17.776 -16.039 -13.573 1.00 21.32 H new ATOM 0 HG13 ILE A 12 -16.726 -14.636 -13.562 1.00 21.32 H new ATOM 0 HG21 ILE A 12 -16.329 -18.356 -13.115 1.00 75.34 H new ATOM 0 HG22 ILE A 12 -15.798 -18.180 -11.425 1.00 75.34 H new ATOM 0 HG23 ILE A 12 -17.451 -17.715 -11.891 1.00 75.34 H new ATOM 0 HD11 ILE A 12 -16.840 -15.627 -15.795 1.00 25.34 H new ATOM 0 HD12 ILE A 12 -15.191 -15.755 -15.138 1.00 25.34 H new ATOM 0 HD13 ILE A 12 -16.257 -17.180 -15.149 1.00 25.34 H new ATOM 203 N THR A 13 -17.774 -16.382 -9.836 1.00 61.11 N ATOM 204 CA THR A 13 -19.115 -16.502 -9.279 1.00 54.43 C ATOM 205 C THR A 13 -19.623 -15.156 -8.775 1.00 54.21 C ATOM 206 O THR A 13 -20.706 -14.709 -9.153 1.00 34.21 O ATOM 207 CB THR A 13 -19.155 -17.519 -8.123 1.00 11.50 C ATOM 208 OG1 THR A 13 -18.286 -17.094 -7.067 1.00 42.02 O ATOM 209 CG2 THR A 13 -18.740 -18.901 -8.604 1.00 11.15 C ATOM 0 H THR A 13 -17.100 -17.049 -9.459 1.00 61.11 H new ATOM 0 HA THR A 13 -19.761 -16.853 -10.084 1.00 54.43 H new ATOM 0 HB THR A 13 -20.178 -17.574 -7.751 1.00 11.50 H new ATOM 0 HG1 THR A 13 -17.362 -17.338 -7.285 1.00 42.02 H new ATOM 0 HG21 THR A 13 -18.776 -19.602 -7.770 1.00 11.15 H new ATOM 0 HG22 THR A 13 -19.421 -19.233 -9.387 1.00 11.15 H new ATOM 0 HG23 THR A 13 -17.725 -18.859 -8.999 1.00 11.15 H new ATOM 217 N SER A 14 -18.834 -14.513 -7.920 1.00 71.11 N ATOM 218 CA SER A 14 -19.206 -13.219 -7.362 1.00 0.55 C ATOM 219 C SER A 14 -19.131 -12.127 -8.424 1.00 55.44 C ATOM 220 O SER A 14 -19.941 -11.199 -8.435 1.00 65.42 O ATOM 221 CB SER A 14 -18.293 -12.865 -6.186 1.00 64.12 C ATOM 222 OG SER A 14 -18.847 -11.820 -5.406 1.00 43.10 O ATOM 0 H SER A 14 -17.933 -14.867 -7.599 1.00 71.11 H new ATOM 0 HA SER A 14 -20.234 -13.287 -7.007 1.00 0.55 H new ATOM 0 HB2 SER A 14 -18.140 -13.746 -5.563 1.00 64.12 H new ATOM 0 HB3 SER A 14 -17.314 -12.564 -6.559 1.00 64.12 H new ATOM 0 HG SER A 14 -18.245 -11.614 -4.660 1.00 43.10 H new ATOM 228 N ALA A 15 -18.154 -12.244 -9.317 1.00 70.42 N ATOM 229 CA ALA A 15 -17.974 -11.270 -10.386 1.00 2.53 C ATOM 230 C ALA A 15 -19.242 -11.130 -11.221 1.00 63.45 C ATOM 231 O ALA A 15 -19.703 -10.020 -11.488 1.00 52.11 O ATOM 232 CB ALA A 15 -16.799 -11.664 -11.268 1.00 24.43 C ATOM 0 H ALA A 15 -17.474 -13.005 -9.321 1.00 70.42 H new ATOM 0 HA ALA A 15 -17.763 -10.303 -9.930 1.00 2.53 H new ATOM 0 HB1 ALA A 15 -16.677 -10.927 -12.062 1.00 24.43 H new ATOM 0 HB2 ALA A 15 -15.890 -11.704 -10.667 1.00 24.43 H new ATOM 0 HB3 ALA A 15 -16.987 -12.644 -11.708 1.00 24.43 H new ATOM 238 N LEU A 16 -19.800 -12.263 -11.633 1.00 75.11 N ATOM 239 CA LEU A 16 -21.016 -12.268 -12.440 1.00 2.40 C ATOM 240 C LEU A 16 -22.128 -11.482 -11.753 1.00 53.12 C ATOM 241 O LEU A 16 -22.858 -10.727 -12.396 1.00 12.11 O ATOM 242 CB LEU A 16 -21.475 -13.704 -12.698 1.00 43.22 C ATOM 243 CG LEU A 16 -21.308 -14.214 -14.130 1.00 34.41 C ATOM 244 CD1 LEU A 16 -19.875 -14.026 -14.601 1.00 24.24 C ATOM 245 CD2 LEU A 16 -21.715 -15.678 -14.225 1.00 12.31 C ATOM 0 H LEU A 16 -19.430 -13.190 -11.422 1.00 75.11 H new ATOM 0 HA LEU A 16 -20.792 -11.788 -13.393 1.00 2.40 H new ATOM 0 HB2 LEU A 16 -20.923 -14.366 -12.031 1.00 43.22 H new ATOM 0 HB3 LEU A 16 -22.528 -13.782 -12.426 1.00 43.22 H new ATOM 0 HG LEU A 16 -21.961 -13.632 -14.781 1.00 34.41 H new ATOM 0 HD11 LEU A 16 -19.776 -14.395 -15.622 1.00 24.24 H new ATOM 0 HD12 LEU A 16 -19.618 -12.967 -14.571 1.00 24.24 H new ATOM 0 HD13 LEU A 16 -19.202 -14.581 -13.948 1.00 24.24 H new ATOM 0 HD21 LEU A 16 -21.590 -16.025 -15.251 1.00 12.31 H new ATOM 0 HD22 LEU A 16 -21.088 -16.274 -13.562 1.00 12.31 H new ATOM 0 HD23 LEU A 16 -22.759 -15.785 -13.931 1.00 12.31 H new ATOM 257 N LYS A 17 -22.251 -11.663 -10.443 1.00 12.14 N ATOM 258 CA LYS A 17 -23.272 -10.969 -9.666 1.00 61.03 C ATOM 259 C LYS A 17 -23.176 -9.460 -9.867 1.00 3.02 C ATOM 260 O LYS A 17 -24.187 -8.757 -9.866 1.00 63.30 O ATOM 261 CB LYS A 17 -23.129 -11.307 -8.181 1.00 13.15 C ATOM 262 CG LYS A 17 -23.281 -12.787 -7.876 1.00 63.32 C ATOM 263 CD LYS A 17 -24.659 -13.104 -7.322 1.00 35.52 C ATOM 264 CE LYS A 17 -24.571 -13.813 -5.979 1.00 2.22 C ATOM 265 NZ LYS A 17 -25.897 -13.896 -5.307 1.00 72.30 N ATOM 0 H LYS A 17 -21.656 -12.285 -9.896 1.00 12.14 H new ATOM 0 HA LYS A 17 -24.249 -11.303 -10.016 1.00 61.03 H new ATOM 0 HB2 LYS A 17 -22.152 -10.972 -7.833 1.00 13.15 H new ATOM 0 HB3 LYS A 17 -23.877 -10.750 -7.617 1.00 13.15 H new ATOM 0 HG2 LYS A 17 -23.111 -13.366 -8.784 1.00 63.32 H new ATOM 0 HG3 LYS A 17 -22.520 -13.091 -7.157 1.00 63.32 H new ATOM 0 HD2 LYS A 17 -25.229 -12.181 -7.211 1.00 35.52 H new ATOM 0 HD3 LYS A 17 -25.202 -13.730 -8.030 1.00 35.52 H new ATOM 0 HE2 LYS A 17 -24.174 -14.818 -6.124 1.00 2.22 H new ATOM 0 HE3 LYS A 17 -23.870 -13.283 -5.334 1.00 2.22 H new ATOM 0 HZ1 LYS A 17 -25.794 -14.386 -4.395 1.00 72.30 H new ATOM 0 HZ2 LYS A 17 -26.265 -12.937 -5.145 1.00 72.30 H new ATOM 0 HZ3 LYS A 17 -26.560 -14.423 -5.911 1.00 72.30 H new ATOM 279 N LYS A 18 -21.954 -8.967 -10.040 1.00 22.43 N ATOM 280 CA LYS A 18 -21.725 -7.542 -10.244 1.00 61.04 C ATOM 281 C LYS A 18 -22.050 -7.139 -11.679 1.00 75.21 C ATOM 282 O LYS A 18 -22.539 -6.037 -11.929 1.00 52.45 O ATOM 283 CB LYS A 18 -20.272 -7.186 -9.921 1.00 31.22 C ATOM 284 CG LYS A 18 -19.926 -7.321 -8.448 1.00 34.21 C ATOM 285 CD LYS A 18 -18.474 -6.964 -8.181 1.00 63.51 C ATOM 286 CE LYS A 18 -17.920 -7.734 -6.992 1.00 31.32 C ATOM 287 NZ LYS A 18 -17.461 -9.097 -7.378 1.00 62.14 N ATOM 0 H LYS A 18 -21.106 -9.534 -10.043 1.00 22.43 H new ATOM 0 HA LYS A 18 -22.385 -6.994 -9.572 1.00 61.04 H new ATOM 0 HB2 LYS A 18 -19.611 -7.830 -10.501 1.00 31.22 H new ATOM 0 HB3 LYS A 18 -20.078 -6.161 -10.239 1.00 31.22 H new ATOM 0 HG2 LYS A 18 -20.575 -6.672 -7.860 1.00 34.21 H new ATOM 0 HG3 LYS A 18 -20.116 -8.343 -8.121 1.00 34.21 H new ATOM 0 HD2 LYS A 18 -17.876 -7.181 -9.066 1.00 63.51 H new ATOM 0 HD3 LYS A 18 -18.390 -5.894 -7.994 1.00 63.51 H new ATOM 0 HE2 LYS A 18 -17.088 -7.180 -6.557 1.00 31.32 H new ATOM 0 HE3 LYS A 18 -18.687 -7.814 -6.222 1.00 31.32 H new ATOM 0 HZ1 LYS A 18 -17.014 -9.557 -6.560 1.00 62.14 H new ATOM 0 HZ2 LYS A 18 -18.276 -9.662 -7.690 1.00 62.14 H new ATOM 0 HZ3 LYS A 18 -16.772 -9.025 -8.154 1.00 62.14 H new ATOM 301 N LEU A 19 -21.778 -8.039 -12.618 1.00 33.14 N ATOM 302 CA LEU A 19 -22.044 -7.778 -14.028 1.00 40.00 C ATOM 303 C LEU A 19 -23.531 -7.536 -14.266 1.00 70.14 C ATOM 304 O LEU A 19 -23.921 -6.524 -14.849 1.00 4.00 O ATOM 305 CB LEU A 19 -21.563 -8.951 -14.884 1.00 21.23 C ATOM 306 CG LEU A 19 -20.125 -8.863 -15.396 1.00 50.13 C ATOM 307 CD1 LEU A 19 -19.642 -10.226 -15.868 1.00 2.51 C ATOM 308 CD2 LEU A 19 -20.021 -7.840 -16.518 1.00 63.34 C ATOM 0 H LEU A 19 -21.373 -8.956 -12.428 1.00 33.14 H new ATOM 0 HA LEU A 19 -21.498 -6.879 -14.315 1.00 40.00 H new ATOM 0 HB2 LEU A 19 -21.664 -9.866 -14.301 1.00 21.23 H new ATOM 0 HB3 LEU A 19 -22.228 -9.045 -15.742 1.00 21.23 H new ATOM 0 HG LEU A 19 -19.486 -8.539 -14.575 1.00 50.13 H new ATOM 0 HD11 LEU A 19 -18.617 -10.144 -16.229 1.00 2.51 H new ATOM 0 HD12 LEU A 19 -19.679 -10.932 -15.039 1.00 2.51 H new ATOM 0 HD13 LEU A 19 -20.283 -10.580 -16.675 1.00 2.51 H new ATOM 0 HD21 LEU A 19 -18.991 -7.790 -16.871 1.00 63.34 H new ATOM 0 HD22 LEU A 19 -20.672 -8.135 -17.341 1.00 63.34 H new ATOM 0 HD23 LEU A 19 -20.325 -6.861 -16.147 1.00 63.34 H new ATOM 320 N VAL A 20 -24.358 -8.471 -13.810 1.00 31.30 N ATOM 321 CA VAL A 20 -25.803 -8.359 -13.970 1.00 41.53 C ATOM 322 C VAL A 20 -26.336 -7.106 -13.283 1.00 60.41 C ATOM 323 O VAL A 20 -27.356 -6.549 -13.690 1.00 24.02 O ATOM 324 CB VAL A 20 -26.529 -9.592 -13.401 1.00 2.11 C ATOM 325 CG1 VAL A 20 -26.407 -9.631 -11.885 1.00 52.32 C ATOM 326 CG2 VAL A 20 -27.989 -9.594 -13.827 1.00 51.01 C ATOM 0 H VAL A 20 -24.052 -9.315 -13.326 1.00 31.30 H new ATOM 0 HA VAL A 20 -25.999 -8.295 -15.040 1.00 41.53 H new ATOM 0 HB VAL A 20 -26.056 -10.488 -13.803 1.00 2.11 H new ATOM 0 HG11 VAL A 20 -26.926 -10.509 -11.501 1.00 52.32 H new ATOM 0 HG12 VAL A 20 -25.355 -9.681 -11.606 1.00 52.32 H new ATOM 0 HG13 VAL A 20 -26.853 -8.731 -11.461 1.00 52.32 H new ATOM 0 HG21 VAL A 20 -28.487 -10.472 -13.416 1.00 51.01 H new ATOM 0 HG22 VAL A 20 -28.478 -8.693 -13.456 1.00 51.01 H new ATOM 0 HG23 VAL A 20 -28.051 -9.618 -14.915 1.00 51.01 H new ATOM 336 N ASP A 21 -25.640 -6.669 -12.240 1.00 24.01 N ATOM 337 CA ASP A 21 -26.042 -5.481 -11.496 1.00 44.10 C ATOM 338 C ASP A 21 -25.616 -4.212 -12.228 1.00 4.25 C ATOM 339 O ASP A 21 -26.350 -3.224 -12.259 1.00 71.25 O ATOM 340 CB ASP A 21 -25.436 -5.503 -10.092 1.00 3.11 C ATOM 341 CG ASP A 21 -26.184 -4.607 -9.124 1.00 44.35 C ATOM 342 OD1 ASP A 21 -27.403 -4.809 -8.951 1.00 33.44 O ATOM 343 OD2 ASP A 21 -25.549 -3.702 -8.542 1.00 34.02 O ATOM 0 H ASP A 21 -24.794 -7.120 -11.890 1.00 24.01 H new ATOM 0 HA ASP A 21 -27.129 -5.484 -11.414 1.00 44.10 H new ATOM 0 HB2 ASP A 21 -25.440 -6.525 -9.714 1.00 3.11 H new ATOM 0 HB3 ASP A 21 -24.394 -5.187 -10.144 1.00 3.11 H new ATOM 348 N LYS A 22 -24.424 -4.245 -12.814 1.00 4.34 N ATOM 349 CA LYS A 22 -23.898 -3.098 -13.545 1.00 74.24 C ATOM 350 C LYS A 22 -24.195 -3.222 -15.036 1.00 54.34 C ATOM 351 O LYS A 22 -23.521 -2.611 -15.866 1.00 53.12 O ATOM 352 CB LYS A 22 -22.389 -2.973 -13.324 1.00 33.52 C ATOM 353 CG LYS A 22 -21.995 -2.880 -11.860 1.00 32.11 C ATOM 354 CD LYS A 22 -20.576 -3.374 -11.632 1.00 13.32 C ATOM 355 CE LYS A 22 -19.551 -2.414 -12.216 1.00 15.51 C ATOM 356 NZ LYS A 22 -18.175 -2.980 -12.176 1.00 2.24 N ATOM 0 H LYS A 22 -23.803 -5.054 -12.797 1.00 4.34 H new ATOM 0 HA LYS A 22 -24.389 -2.202 -13.167 1.00 74.24 H new ATOM 0 HB2 LYS A 22 -21.892 -3.834 -13.771 1.00 33.52 H new ATOM 0 HB3 LYS A 22 -22.026 -2.088 -13.846 1.00 33.52 H new ATOM 0 HG2 LYS A 22 -22.080 -1.846 -11.524 1.00 32.11 H new ATOM 0 HG3 LYS A 22 -22.687 -3.468 -11.258 1.00 32.11 H new ATOM 0 HD2 LYS A 22 -20.398 -3.492 -10.563 1.00 13.32 H new ATOM 0 HD3 LYS A 22 -20.455 -4.358 -12.086 1.00 13.32 H new ATOM 0 HE2 LYS A 22 -19.818 -2.181 -13.247 1.00 15.51 H new ATOM 0 HE3 LYS A 22 -19.574 -1.476 -11.661 1.00 15.51 H new ATOM 0 HZ1 LYS A 22 -17.506 -2.295 -12.583 1.00 2.24 H new ATOM 0 HZ2 LYS A 22 -17.910 -3.179 -11.190 1.00 2.24 H new ATOM 0 HZ3 LYS A 22 -18.146 -3.862 -12.727 1.00 2.24 H new ATOM 370 N TYR A 23 -25.208 -4.014 -15.369 1.00 53.14 N ATOM 371 CA TYR A 23 -25.594 -4.218 -16.761 1.00 3.13 C ATOM 372 C TYR A 23 -26.100 -2.920 -17.382 1.00 13.44 C ATOM 373 O TYR A 23 -25.747 -2.579 -18.511 1.00 34.50 O ATOM 374 CB TYR A 23 -26.672 -5.298 -16.860 1.00 63.51 C ATOM 375 CG TYR A 23 -27.204 -5.495 -18.261 1.00 73.34 C ATOM 376 CD1 TYR A 23 -28.235 -4.703 -18.751 1.00 51.35 C ATOM 377 CD2 TYR A 23 -26.678 -6.474 -19.095 1.00 20.31 C ATOM 378 CE1 TYR A 23 -28.726 -4.879 -20.031 1.00 25.31 C ATOM 379 CE2 TYR A 23 -27.161 -6.657 -20.376 1.00 51.01 C ATOM 380 CZ TYR A 23 -28.185 -5.857 -20.839 1.00 60.34 C ATOM 381 OH TYR A 23 -28.670 -6.037 -22.115 1.00 30.15 O ATOM 0 H TYR A 23 -25.777 -4.525 -14.694 1.00 53.14 H new ATOM 0 HA TYR A 23 -24.712 -4.543 -17.312 1.00 3.13 H new ATOM 0 HB2 TYR A 23 -26.263 -6.242 -16.500 1.00 63.51 H new ATOM 0 HB3 TYR A 23 -27.499 -5.036 -16.200 1.00 63.51 H new ATOM 0 HD1 TYR A 23 -28.660 -3.936 -18.121 1.00 51.35 H new ATOM 0 HD2 TYR A 23 -25.877 -7.103 -18.735 1.00 20.31 H new ATOM 0 HE1 TYR A 23 -29.528 -4.255 -20.396 1.00 25.31 H new ATOM 0 HE2 TYR A 23 -26.739 -7.422 -21.011 1.00 51.01 H new ATOM 0 HH TYR A 23 -28.180 -6.765 -22.551 1.00 30.15 H new ATOM 391 N ARG A 24 -26.930 -2.198 -16.635 1.00 24.45 N ATOM 392 CA ARG A 24 -27.486 -0.938 -17.110 1.00 51.43 C ATOM 393 C ARG A 24 -26.597 0.235 -16.708 1.00 40.40 C ATOM 394 O ARG A 24 -27.001 1.394 -16.801 1.00 60.43 O ATOM 395 CB ARG A 24 -28.897 -0.736 -16.554 1.00 60.23 C ATOM 396 CG ARG A 24 -29.987 -0.829 -17.610 1.00 4.12 C ATOM 397 CD ARG A 24 -30.146 0.483 -18.363 1.00 20.43 C ATOM 398 NE ARG A 24 -31.210 0.415 -19.361 1.00 63.11 N ATOM 399 CZ ARG A 24 -31.382 1.324 -20.314 1.00 14.32 C ATOM 400 NH1 ARG A 24 -30.565 2.365 -20.397 1.00 54.23 N ATOM 401 NH2 ARG A 24 -32.374 1.193 -21.186 1.00 2.20 N ATOM 0 H ARG A 24 -27.232 -2.465 -15.698 1.00 24.45 H new ATOM 0 HA ARG A 24 -27.534 -0.979 -18.198 1.00 51.43 H new ATOM 0 HB2 ARG A 24 -29.085 -1.483 -15.783 1.00 60.23 H new ATOM 0 HB3 ARG A 24 -28.952 0.240 -16.072 1.00 60.23 H new ATOM 0 HG2 ARG A 24 -29.747 -1.627 -18.313 1.00 4.12 H new ATOM 0 HG3 ARG A 24 -30.932 -1.095 -17.137 1.00 4.12 H new ATOM 0 HD2 ARG A 24 -30.363 1.283 -17.655 1.00 20.43 H new ATOM 0 HD3 ARG A 24 -29.206 0.737 -18.852 1.00 20.43 H new ATOM 0 HE ARG A 24 -31.856 -0.373 -19.324 1.00 63.11 H new ATOM 0 HH11 ARG A 24 -29.802 2.469 -19.728 1.00 54.23 H new ATOM 0 HH12 ARG A 24 -30.699 3.062 -21.130 1.00 54.23 H new ATOM 0 HH21 ARG A 24 -33.005 0.394 -21.125 1.00 2.20 H new ATOM 0 HH22 ARG A 24 -32.505 1.891 -21.918 1.00 2.20 H new ATOM 415 N ASN A 25 -25.385 -0.074 -16.260 1.00 24.21 N ATOM 416 CA ASN A 25 -24.439 0.954 -15.842 1.00 45.12 C ATOM 417 C ASN A 25 -23.356 1.158 -16.897 1.00 63.04 C ATOM 418 O ASN A 25 -22.941 2.286 -17.166 1.00 61.42 O ATOM 419 CB ASN A 25 -23.799 0.575 -14.505 1.00 64.12 C ATOM 420 CG ASN A 25 -24.726 0.818 -13.331 1.00 34.05 C ATOM 421 OD1 ASN A 25 -25.975 0.387 -13.464 1.00 63.32 O flip ATOM 422 ND2 ASN A 25 -24.325 1.387 -12.315 1.00 72.40 N flip ATOM 0 H ASN A 25 -25.035 -1.028 -16.177 1.00 24.21 H new ATOM 0 HA ASN A 25 -24.986 1.889 -15.723 1.00 45.12 H new ATOM 0 HB2 ASN A 25 -23.513 -0.477 -14.527 1.00 64.12 H new ATOM 0 HB3 ASN A 25 -22.884 1.151 -14.367 1.00 64.12 H new ATOM 0 HD21 ASN A 25 -23.357 1.702 -12.255 1.00 72.40 H new ATOM 0 HD22 ASN A 25 -24.961 1.543 -11.533 1.00 72.40 H new ATOM 429 N ASP A 26 -22.903 0.060 -17.492 1.00 61.12 N ATOM 430 CA ASP A 26 -21.869 0.117 -18.519 1.00 54.45 C ATOM 431 C ASP A 26 -22.360 -0.511 -19.820 1.00 14.00 C ATOM 432 O ASP A 26 -22.865 -1.633 -19.826 1.00 23.32 O ATOM 433 CB ASP A 26 -20.604 -0.595 -18.040 1.00 43.03 C ATOM 434 CG ASP A 26 -19.628 0.349 -17.367 1.00 5.51 C ATOM 435 OD1 ASP A 26 -19.815 0.640 -16.167 1.00 1.43 O ATOM 436 OD2 ASP A 26 -18.676 0.797 -18.040 1.00 3.03 O ATOM 0 H ASP A 26 -23.236 -0.881 -17.281 1.00 61.12 H new ATOM 0 HA ASP A 26 -21.637 1.165 -18.708 1.00 54.45 H new ATOM 0 HB2 ASP A 26 -20.878 -1.387 -17.343 1.00 43.03 H new ATOM 0 HB3 ASP A 26 -20.116 -1.073 -18.889 1.00 43.03 H new ATOM 441 N GLU A 27 -22.210 0.221 -20.919 1.00 42.41 N ATOM 442 CA GLU A 27 -22.640 -0.264 -22.225 1.00 20.51 C ATOM 443 C GLU A 27 -21.823 -1.482 -22.649 1.00 2.52 C ATOM 444 O GLU A 27 -22.366 -2.458 -23.167 1.00 44.12 O ATOM 445 CB GLU A 27 -22.509 0.842 -23.274 1.00 33.21 C ATOM 446 CG GLU A 27 -21.107 1.417 -23.380 1.00 40.13 C ATOM 447 CD GLU A 27 -21.106 2.891 -23.738 1.00 74.43 C ATOM 448 OE1 GLU A 27 -21.907 3.289 -24.610 1.00 71.12 O ATOM 449 OE2 GLU A 27 -20.306 3.645 -23.147 1.00 50.03 O ATOM 0 H GLU A 27 -21.794 1.152 -20.931 1.00 42.41 H new ATOM 0 HA GLU A 27 -23.687 -0.559 -22.148 1.00 20.51 H new ATOM 0 HB2 GLU A 27 -22.805 0.446 -24.246 1.00 33.21 H new ATOM 0 HB3 GLU A 27 -23.205 1.645 -23.032 1.00 33.21 H new ATOM 0 HG2 GLU A 27 -20.588 1.277 -22.432 1.00 40.13 H new ATOM 0 HG3 GLU A 27 -20.547 0.863 -24.134 1.00 40.13 H new ATOM 456 N HIS A 28 -20.514 -1.415 -22.425 1.00 71.42 N ATOM 457 CA HIS A 28 -19.621 -2.511 -22.784 1.00 20.44 C ATOM 458 C HIS A 28 -20.024 -3.797 -22.068 1.00 31.03 C ATOM 459 O HIS A 28 -19.814 -4.897 -22.579 1.00 43.23 O ATOM 460 CB HIS A 28 -18.175 -2.153 -22.438 1.00 34.11 C ATOM 461 CG HIS A 28 -17.498 -1.323 -23.484 1.00 5.31 C ATOM 462 ND1 HIS A 28 -16.127 -1.244 -23.611 1.00 23.41 N ATOM 463 CD2 HIS A 28 -18.010 -0.533 -24.456 1.00 42.05 C ATOM 464 CE1 HIS A 28 -15.825 -0.441 -24.615 1.00 50.12 C ATOM 465 NE2 HIS A 28 -16.950 0.004 -25.146 1.00 31.35 N ATOM 0 H HIS A 28 -20.049 -0.614 -21.997 1.00 71.42 H new ATOM 0 HA HIS A 28 -19.700 -2.674 -23.859 1.00 20.44 H new ATOM 0 HB2 HIS A 28 -18.159 -1.613 -21.491 1.00 34.11 H new ATOM 0 HB3 HIS A 28 -17.607 -3.072 -22.291 1.00 34.11 H new ATOM 0 HD2 HIS A 28 -19.057 -0.357 -24.653 1.00 42.05 H new ATOM 0 HE1 HIS A 28 -14.828 -0.191 -24.946 1.00 50.12 H new ATOM 0 HE2 HIS A 28 -17.020 0.642 -25.939 1.00 31.35 H new ATOM 474 N VAL A 29 -20.604 -3.651 -20.881 1.00 0.25 N ATOM 475 CA VAL A 29 -21.037 -4.800 -20.094 1.00 42.14 C ATOM 476 C VAL A 29 -22.262 -5.461 -20.716 1.00 64.22 C ATOM 477 O VAL A 29 -22.426 -6.679 -20.644 1.00 63.33 O ATOM 478 CB VAL A 29 -21.365 -4.397 -18.645 1.00 11.44 C ATOM 479 CG1 VAL A 29 -21.864 -5.598 -17.856 1.00 11.30 C ATOM 480 CG2 VAL A 29 -20.147 -3.778 -17.975 1.00 53.45 C ATOM 0 H VAL A 29 -20.785 -2.748 -20.443 1.00 0.25 H new ATOM 0 HA VAL A 29 -20.209 -5.509 -20.087 1.00 42.14 H new ATOM 0 HB VAL A 29 -22.159 -3.650 -18.665 1.00 11.44 H new ATOM 0 HG11 VAL A 29 -22.091 -5.293 -16.834 1.00 11.30 H new ATOM 0 HG12 VAL A 29 -22.765 -5.993 -18.325 1.00 11.30 H new ATOM 0 HG13 VAL A 29 -21.094 -6.370 -17.842 1.00 11.30 H new ATOM 0 HG21 VAL A 29 -20.397 -3.499 -16.951 1.00 53.45 H new ATOM 0 HG22 VAL A 29 -19.331 -4.500 -17.965 1.00 53.45 H new ATOM 0 HG23 VAL A 29 -19.839 -2.890 -18.528 1.00 53.45 H new ATOM 490 N ARG A 30 -23.119 -4.650 -21.327 1.00 31.20 N ATOM 491 CA ARG A 30 -24.330 -5.156 -21.961 1.00 72.53 C ATOM 492 C ARG A 30 -23.988 -6.093 -23.116 1.00 72.13 C ATOM 493 O ARG A 30 -24.452 -7.232 -23.165 1.00 35.43 O ATOM 494 CB ARG A 30 -25.189 -3.996 -22.469 1.00 20.55 C ATOM 495 CG ARG A 30 -25.720 -3.102 -21.360 1.00 42.34 C ATOM 496 CD ARG A 30 -26.928 -2.302 -21.821 1.00 35.10 C ATOM 497 NE ARG A 30 -26.856 -0.907 -21.396 1.00 11.25 N ATOM 498 CZ ARG A 30 -27.661 0.044 -21.856 1.00 1.52 C ATOM 499 NH1 ARG A 30 -28.594 -0.248 -22.751 1.00 13.10 N ATOM 500 NH2 ARG A 30 -27.533 1.291 -21.420 1.00 53.32 N ATOM 0 H ARG A 30 -22.997 -3.640 -21.396 1.00 31.20 H new ATOM 0 HA ARG A 30 -24.893 -5.717 -21.215 1.00 72.53 H new ATOM 0 HB2 ARG A 30 -24.599 -3.393 -23.159 1.00 20.55 H new ATOM 0 HB3 ARG A 30 -26.030 -4.398 -23.035 1.00 20.55 H new ATOM 0 HG2 ARG A 30 -25.993 -3.712 -20.499 1.00 42.34 H new ATOM 0 HG3 ARG A 30 -24.934 -2.421 -21.032 1.00 42.34 H new ATOM 0 HD2 ARG A 30 -26.999 -2.346 -22.908 1.00 35.10 H new ATOM 0 HD3 ARG A 30 -27.836 -2.755 -21.424 1.00 35.10 H new ATOM 0 HE ARG A 30 -26.149 -0.649 -20.708 1.00 11.25 H new ATOM 0 HH11 ARG A 30 -28.695 -1.205 -23.088 1.00 13.10 H new ATOM 0 HH12 ARG A 30 -29.211 0.485 -23.102 1.00 13.10 H new ATOM 0 HH21 ARG A 30 -26.816 1.519 -20.731 1.00 53.32 H new ATOM 0 HH22 ARG A 30 -28.151 2.021 -21.774 1.00 53.32 H new ATOM 514 N LYS A 31 -23.174 -5.605 -24.046 1.00 25.14 N ATOM 515 CA LYS A 31 -22.768 -6.397 -25.201 1.00 22.24 C ATOM 516 C LYS A 31 -21.997 -7.639 -24.765 1.00 23.02 C ATOM 517 O LYS A 31 -22.109 -8.699 -25.380 1.00 61.41 O ATOM 518 CB LYS A 31 -21.908 -5.555 -26.146 1.00 25.24 C ATOM 519 CG LYS A 31 -20.491 -5.335 -25.645 1.00 24.23 C ATOM 520 CD LYS A 31 -19.662 -4.546 -26.644 1.00 60.14 C ATOM 521 CE LYS A 31 -18.179 -4.611 -26.314 1.00 22.24 C ATOM 522 NZ LYS A 31 -17.336 -4.151 -27.452 1.00 1.44 N ATOM 0 H LYS A 31 -22.782 -4.664 -24.022 1.00 25.14 H new ATOM 0 HA LYS A 31 -23.668 -6.716 -25.726 1.00 22.24 H new ATOM 0 HB2 LYS A 31 -21.868 -6.043 -27.120 1.00 25.24 H new ATOM 0 HB3 LYS A 31 -22.387 -4.587 -26.294 1.00 25.24 H new ATOM 0 HG2 LYS A 31 -20.519 -4.803 -24.694 1.00 24.23 H new ATOM 0 HG3 LYS A 31 -20.017 -6.298 -25.458 1.00 24.23 H new ATOM 0 HD2 LYS A 31 -19.830 -4.938 -27.647 1.00 60.14 H new ATOM 0 HD3 LYS A 31 -19.989 -3.506 -26.649 1.00 60.14 H new ATOM 0 HE2 LYS A 31 -17.975 -3.995 -25.439 1.00 22.24 H new ATOM 0 HE3 LYS A 31 -17.910 -5.635 -26.053 1.00 22.24 H new ATOM 0 HZ1 LYS A 31 -16.332 -4.211 -27.187 1.00 1.44 H new ATOM 0 HZ2 LYS A 31 -17.512 -4.755 -28.280 1.00 1.44 H new ATOM 0 HZ3 LYS A 31 -17.575 -3.166 -27.685 1.00 1.44 H new ATOM 536 N VAL A 32 -21.214 -7.501 -23.699 1.00 15.21 N ATOM 537 CA VAL A 32 -20.427 -8.612 -23.179 1.00 61.33 C ATOM 538 C VAL A 32 -21.321 -9.667 -22.538 1.00 74.32 C ATOM 539 O VAL A 32 -21.207 -10.857 -22.834 1.00 41.13 O ATOM 540 CB VAL A 32 -19.394 -8.132 -22.143 1.00 10.05 C ATOM 541 CG1 VAL A 32 -18.796 -9.315 -21.397 1.00 22.12 C ATOM 542 CG2 VAL A 32 -18.306 -7.310 -22.817 1.00 25.54 C ATOM 0 H VAL A 32 -21.108 -6.630 -23.179 1.00 15.21 H new ATOM 0 HA VAL A 32 -19.902 -9.052 -24.027 1.00 61.33 H new ATOM 0 HB VAL A 32 -19.901 -7.496 -21.418 1.00 10.05 H new ATOM 0 HG11 VAL A 32 -18.068 -8.956 -20.669 1.00 22.12 H new ATOM 0 HG12 VAL A 32 -19.588 -9.858 -20.881 1.00 22.12 H new ATOM 0 HG13 VAL A 32 -18.303 -9.980 -22.106 1.00 22.12 H new ATOM 0 HG21 VAL A 32 -17.585 -6.979 -22.070 1.00 25.54 H new ATOM 0 HG22 VAL A 32 -17.800 -7.920 -23.565 1.00 25.54 H new ATOM 0 HG23 VAL A 32 -18.753 -6.441 -23.300 1.00 25.54 H new ATOM 552 N PHE A 33 -22.213 -9.224 -21.658 1.00 40.33 N ATOM 553 CA PHE A 33 -23.128 -10.130 -20.974 1.00 40.11 C ATOM 554 C PHE A 33 -24.165 -10.690 -21.943 1.00 41.03 C ATOM 555 O PHE A 33 -24.735 -11.756 -21.711 1.00 70.23 O ATOM 556 CB PHE A 33 -23.829 -9.407 -19.822 1.00 25.13 C ATOM 557 CG PHE A 33 -23.964 -10.245 -18.583 1.00 34.13 C ATOM 558 CD1 PHE A 33 -22.853 -10.555 -17.815 1.00 73.41 C ATOM 559 CD2 PHE A 33 -25.203 -10.722 -18.185 1.00 60.12 C ATOM 560 CE1 PHE A 33 -22.976 -11.327 -16.675 1.00 64.10 C ATOM 561 CE2 PHE A 33 -25.331 -11.494 -17.046 1.00 15.23 C ATOM 562 CZ PHE A 33 -24.216 -11.796 -16.289 1.00 52.21 C ATOM 0 H PHE A 33 -22.322 -8.243 -21.402 1.00 40.33 H new ATOM 0 HA PHE A 33 -22.546 -10.960 -20.573 1.00 40.11 H new ATOM 0 HB2 PHE A 33 -23.273 -8.501 -19.580 1.00 25.13 H new ATOM 0 HB3 PHE A 33 -24.820 -9.094 -20.149 1.00 25.13 H new ATOM 0 HD1 PHE A 33 -21.881 -10.190 -18.110 1.00 73.41 H new ATOM 0 HD2 PHE A 33 -26.079 -10.488 -18.772 1.00 60.12 H new ATOM 0 HE1 PHE A 33 -22.102 -11.563 -16.086 1.00 64.10 H new ATOM 0 HE2 PHE A 33 -26.302 -11.861 -16.748 1.00 15.23 H new ATOM 0 HZ PHE A 33 -24.314 -12.397 -15.397 1.00 52.21 H new ATOM 572 N ASP A 34 -24.404 -9.963 -23.029 1.00 71.12 N ATOM 573 CA ASP A 34 -25.372 -10.386 -24.035 1.00 23.42 C ATOM 574 C ASP A 34 -24.848 -11.583 -24.823 1.00 41.43 C ATOM 575 O ASP A 34 -25.551 -12.577 -25.000 1.00 22.14 O ATOM 576 CB ASP A 34 -25.689 -9.232 -24.986 1.00 45.34 C ATOM 577 CG ASP A 34 -26.392 -9.696 -26.246 1.00 73.22 C ATOM 578 OD1 ASP A 34 -25.707 -10.221 -27.149 1.00 14.12 O ATOM 579 OD2 ASP A 34 -27.628 -9.534 -26.330 1.00 70.21 O ATOM 0 H ASP A 34 -23.941 -9.078 -23.235 1.00 71.12 H new ATOM 0 HA ASP A 34 -26.286 -10.684 -23.522 1.00 23.42 H new ATOM 0 HB2 ASP A 34 -26.315 -8.503 -24.472 1.00 45.34 H new ATOM 0 HB3 ASP A 34 -24.764 -8.723 -25.256 1.00 45.34 H new ATOM 584 N GLU A 35 -23.610 -11.477 -25.296 1.00 22.42 N ATOM 585 CA GLU A 35 -22.994 -12.550 -26.067 1.00 65.43 C ATOM 586 C GLU A 35 -22.759 -13.781 -25.196 1.00 62.23 C ATOM 587 O GLU A 35 -22.932 -14.915 -25.646 1.00 2.53 O ATOM 588 CB GLU A 35 -21.669 -12.079 -26.671 1.00 2.13 C ATOM 589 CG GLU A 35 -20.674 -11.577 -25.638 1.00 21.03 C ATOM 590 CD GLU A 35 -19.365 -11.129 -26.258 1.00 41.21 C ATOM 591 OE1 GLU A 35 -19.407 -10.343 -27.228 1.00 12.11 O ATOM 592 OE2 GLU A 35 -18.299 -11.564 -25.775 1.00 1.44 O ATOM 0 H GLU A 35 -23.015 -10.660 -25.159 1.00 22.42 H new ATOM 0 HA GLU A 35 -23.676 -12.821 -26.873 1.00 65.43 H new ATOM 0 HB2 GLU A 35 -21.219 -12.902 -27.226 1.00 2.13 H new ATOM 0 HB3 GLU A 35 -21.869 -11.283 -27.388 1.00 2.13 H new ATOM 0 HG2 GLU A 35 -21.115 -10.745 -25.089 1.00 21.03 H new ATOM 0 HG3 GLU A 35 -20.477 -12.368 -24.914 1.00 21.03 H new ATOM 599 N ILE A 36 -22.364 -13.549 -23.949 1.00 64.31 N ATOM 600 CA ILE A 36 -22.106 -14.638 -23.015 1.00 63.31 C ATOM 601 C ILE A 36 -23.396 -15.360 -22.643 1.00 31.35 C ATOM 602 O ILE A 36 -23.502 -16.578 -22.789 1.00 44.42 O ATOM 603 CB ILE A 36 -21.426 -14.129 -21.730 1.00 53.12 C ATOM 604 CG1 ILE A 36 -20.096 -13.452 -22.065 1.00 4.21 C ATOM 605 CG2 ILE A 36 -21.212 -15.276 -20.754 1.00 14.22 C ATOM 606 CD1 ILE A 36 -19.635 -12.470 -21.010 1.00 53.24 C ATOM 0 H ILE A 36 -22.216 -12.617 -23.562 1.00 64.31 H new ATOM 0 HA ILE A 36 -21.436 -15.334 -23.519 1.00 63.31 H new ATOM 0 HB ILE A 36 -22.078 -13.394 -21.258 1.00 53.12 H new ATOM 0 HG12 ILE A 36 -19.331 -14.217 -22.197 1.00 4.21 H new ATOM 0 HG13 ILE A 36 -20.193 -12.931 -23.017 1.00 4.21 H new ATOM 0 HG21 ILE A 36 -20.731 -14.900 -19.851 1.00 14.22 H new ATOM 0 HG22 ILE A 36 -22.174 -15.718 -20.495 1.00 14.22 H new ATOM 0 HG23 ILE A 36 -20.578 -16.033 -21.215 1.00 14.22 H new ATOM 0 HD11 ILE A 36 -18.686 -12.028 -21.314 1.00 53.24 H new ATOM 0 HD12 ILE A 36 -20.381 -11.684 -20.894 1.00 53.24 H new ATOM 0 HD13 ILE A 36 -19.506 -12.990 -20.061 1.00 53.24 H new ATOM 618 N GLN A 37 -24.375 -14.601 -22.162 1.00 11.31 N ATOM 619 CA GLN A 37 -25.659 -15.169 -21.769 1.00 55.45 C ATOM 620 C GLN A 37 -26.197 -16.098 -22.852 1.00 54.04 C ATOM 621 O GLN A 37 -26.817 -17.119 -22.555 1.00 3.01 O ATOM 622 CB GLN A 37 -26.669 -14.054 -21.489 1.00 74.42 C ATOM 623 CG GLN A 37 -26.597 -13.510 -20.072 1.00 34.55 C ATOM 624 CD GLN A 37 -27.444 -12.268 -19.880 1.00 11.25 C ATOM 625 OE1 GLN A 37 -28.249 -12.188 -18.951 1.00 23.12 O ATOM 626 NE2 GLN A 37 -27.267 -11.289 -20.759 1.00 11.30 N ATOM 0 H GLN A 37 -24.304 -13.591 -22.035 1.00 11.31 H new ATOM 0 HA GLN A 37 -25.508 -15.750 -20.859 1.00 55.45 H new ATOM 0 HB2 GLN A 37 -26.501 -13.238 -22.192 1.00 74.42 H new ATOM 0 HB3 GLN A 37 -27.675 -14.431 -21.674 1.00 74.42 H new ATOM 0 HG2 GLN A 37 -26.925 -14.280 -19.374 1.00 34.55 H new ATOM 0 HG3 GLN A 37 -25.560 -13.279 -19.828 1.00 34.55 H new ATOM 0 HE21 GLN A 37 -26.589 -11.397 -21.513 1.00 11.30 H new ATOM 0 HE22 GLN A 37 -27.809 -10.428 -20.680 1.00 11.30 H new ATOM 635 N GLN A 38 -25.957 -15.737 -24.109 1.00 3.44 N ATOM 636 CA GLN A 38 -26.418 -16.538 -25.236 1.00 34.45 C ATOM 637 C GLN A 38 -25.570 -17.796 -25.393 1.00 31.04 C ATOM 638 O GLN A 38 -26.076 -18.915 -25.302 1.00 11.23 O ATOM 639 CB GLN A 38 -26.377 -15.716 -26.525 1.00 25.22 C ATOM 640 CG GLN A 38 -27.322 -14.526 -26.518 1.00 74.25 C ATOM 641 CD GLN A 38 -28.662 -14.842 -27.154 1.00 42.05 C ATOM 642 OE1 GLN A 38 -28.993 -14.324 -28.221 1.00 51.13 O ATOM 643 NE2 GLN A 38 -29.441 -15.696 -26.501 1.00 62.45 N ATOM 0 H GLN A 38 -25.446 -14.894 -24.372 1.00 3.44 H new ATOM 0 HA GLN A 38 -27.447 -16.838 -25.039 1.00 34.45 H new ATOM 0 HB2 GLN A 38 -25.359 -15.360 -26.687 1.00 25.22 H new ATOM 0 HB3 GLN A 38 -26.626 -16.362 -27.366 1.00 25.22 H new ATOM 0 HG2 GLN A 38 -27.480 -14.198 -25.491 1.00 74.25 H new ATOM 0 HG3 GLN A 38 -26.858 -13.695 -27.050 1.00 74.25 H new ATOM 0 HE21 GLN A 38 -29.127 -16.102 -25.619 1.00 62.45 H new ATOM 0 HE22 GLN A 38 -30.354 -15.947 -26.881 1.00 62.45 H new ATOM 652 N LYS A 39 -24.277 -17.605 -25.629 1.00 63.45 N ATOM 653 CA LYS A 39 -23.356 -18.724 -25.799 1.00 14.43 C ATOM 654 C LYS A 39 -23.448 -19.687 -24.620 1.00 0.15 C ATOM 655 O LYS A 39 -23.194 -20.884 -24.761 1.00 53.14 O ATOM 656 CB LYS A 39 -21.921 -18.212 -25.943 1.00 32.31 C ATOM 657 CG LYS A 39 -21.234 -17.947 -24.615 1.00 24.12 C ATOM 658 CD LYS A 39 -19.817 -17.434 -24.813 1.00 31.32 C ATOM 659 CE LYS A 39 -18.802 -18.565 -24.755 1.00 24.23 C ATOM 660 NZ LYS A 39 -17.618 -18.293 -25.616 1.00 41.51 N ATOM 0 H LYS A 39 -23.842 -16.686 -25.707 1.00 63.45 H new ATOM 0 HA LYS A 39 -23.637 -19.260 -26.706 1.00 14.43 H new ATOM 0 HB2 LYS A 39 -21.338 -18.942 -26.505 1.00 32.31 H new ATOM 0 HB3 LYS A 39 -21.929 -17.292 -26.528 1.00 32.31 H new ATOM 0 HG2 LYS A 39 -21.810 -17.217 -24.046 1.00 24.12 H new ATOM 0 HG3 LYS A 39 -21.211 -18.864 -24.027 1.00 24.12 H new ATOM 0 HD2 LYS A 39 -19.744 -16.927 -25.775 1.00 31.32 H new ATOM 0 HD3 LYS A 39 -19.585 -16.696 -24.045 1.00 31.32 H new ATOM 0 HE2 LYS A 39 -18.476 -18.708 -23.725 1.00 24.23 H new ATOM 0 HE3 LYS A 39 -19.275 -19.494 -25.072 1.00 24.23 H new ATOM 0 HZ1 LYS A 39 -16.950 -19.087 -25.549 1.00 41.51 H new ATOM 0 HZ2 LYS A 39 -17.925 -18.182 -26.603 1.00 41.51 H new ATOM 0 HZ3 LYS A 39 -17.151 -17.420 -25.298 1.00 41.51 H new ATOM 674 N LEU A 40 -23.813 -19.158 -23.457 1.00 31.32 N ATOM 675 CA LEU A 40 -23.940 -19.972 -22.253 1.00 0.04 C ATOM 676 C LEU A 40 -25.379 -20.440 -22.061 1.00 61.30 C ATOM 677 O LEU A 40 -25.642 -21.381 -21.311 1.00 12.32 O ATOM 678 CB LEU A 40 -23.482 -19.179 -21.027 1.00 72.21 C ATOM 679 CG LEU A 40 -22.025 -19.375 -20.607 1.00 31.21 C ATOM 680 CD1 LEU A 40 -21.099 -18.561 -21.497 1.00 2.25 C ATOM 681 CD2 LEU A 40 -21.836 -18.994 -19.146 1.00 25.21 C ATOM 0 H LEU A 40 -24.026 -18.170 -23.322 1.00 31.32 H new ATOM 0 HA LEU A 40 -23.304 -20.850 -22.369 1.00 0.04 H new ATOM 0 HB2 LEU A 40 -23.643 -18.119 -21.224 1.00 72.21 H new ATOM 0 HB3 LEU A 40 -24.121 -19.448 -20.186 1.00 72.21 H new ATOM 0 HG LEU A 40 -21.772 -20.429 -20.722 1.00 31.21 H new ATOM 0 HD11 LEU A 40 -20.066 -18.713 -21.183 1.00 2.25 H new ATOM 0 HD12 LEU A 40 -21.215 -18.882 -22.532 1.00 2.25 H new ATOM 0 HD13 LEU A 40 -21.351 -17.504 -21.414 1.00 2.25 H new ATOM 0 HD21 LEU A 40 -20.793 -19.140 -18.864 1.00 25.21 H new ATOM 0 HD22 LEU A 40 -22.107 -17.948 -19.005 1.00 25.21 H new ATOM 0 HD23 LEU A 40 -22.472 -19.621 -18.521 1.00 25.21 H new ATOM 693 N HIS A 41 -26.307 -19.780 -22.746 1.00 11.42 N ATOM 694 CA HIS A 41 -27.720 -20.130 -22.653 1.00 61.22 C ATOM 695 C HIS A 41 -28.242 -19.913 -21.236 1.00 42.01 C ATOM 696 O HIS A 41 -28.965 -20.750 -20.695 1.00 11.34 O ATOM 697 CB HIS A 41 -27.934 -21.585 -23.071 1.00 34.32 C ATOM 698 CG HIS A 41 -27.312 -21.928 -24.389 1.00 65.20 C ATOM 699 ND1 HIS A 41 -26.012 -22.041 -24.752 1.00 71.41 N flip ATOM 700 CD2 HIS A 41 -28.049 -22.199 -25.522 1.00 34.55 C flip ATOM 701 CE1 HIS A 41 -25.989 -22.377 -26.083 1.00 64.51 C flip ATOM 702 NE2 HIS A 41 -27.231 -22.466 -26.524 1.00 1.10 N flip ATOM 0 H HIS A 41 -26.106 -19.000 -23.372 1.00 11.42 H new ATOM 0 HA HIS A 41 -28.276 -19.480 -23.329 1.00 61.22 H new ATOM 0 HB2 HIS A 41 -27.522 -22.239 -22.303 1.00 34.32 H new ATOM 0 HB3 HIS A 41 -29.004 -21.786 -23.120 1.00 34.32 H new ATOM 0 HD2 HIS A 41 -29.127 -22.194 -25.581 1.00 34.55 H new ATOM 0 HE1 HIS A 41 -25.100 -22.542 -26.674 1.00 64.51 H new ATOM 0 HE2 HIS A 41 -27.511 -22.701 -27.476 1.00 1.10 H new ATOM 711 N CYS A 42 -27.870 -18.785 -20.640 1.00 61.12 N ATOM 712 CA CYS A 42 -28.299 -18.458 -19.286 1.00 3.32 C ATOM 713 C CYS A 42 -28.771 -17.009 -19.200 1.00 75.41 C ATOM 714 O CYS A 42 -28.573 -16.224 -20.127 1.00 42.23 O ATOM 715 CB CYS A 42 -27.156 -18.692 -18.296 1.00 20.21 C ATOM 716 SG CYS A 42 -25.652 -17.729 -18.655 1.00 20.12 S ATOM 0 H CYS A 42 -27.272 -18.082 -21.074 1.00 61.12 H new ATOM 0 HA CYS A 42 -29.134 -19.110 -19.029 1.00 3.32 H new ATOM 0 HB2 CYS A 42 -27.502 -18.444 -17.293 1.00 20.21 H new ATOM 0 HB3 CYS A 42 -26.903 -19.752 -18.293 1.00 20.21 H new ATOM 721 N CYS A 43 -29.398 -16.663 -18.081 1.00 1.44 N ATOM 722 CA CYS A 43 -29.900 -15.310 -17.872 1.00 44.21 C ATOM 723 C CYS A 43 -29.316 -14.704 -16.599 1.00 13.41 C ATOM 724 O CYS A 43 -29.095 -15.402 -15.611 1.00 20.31 O ATOM 725 CB CYS A 43 -31.427 -15.317 -17.793 1.00 55.43 C ATOM 726 SG CYS A 43 -32.248 -15.892 -19.314 1.00 61.54 S ATOM 0 H CYS A 43 -29.571 -17.301 -17.304 1.00 1.44 H new ATOM 0 HA CYS A 43 -29.590 -14.699 -18.720 1.00 44.21 H new ATOM 0 HB2 CYS A 43 -31.734 -15.954 -16.964 1.00 55.43 H new ATOM 0 HB3 CYS A 43 -31.773 -14.309 -17.565 1.00 55.43 H new ATOM 731 N GLY A 44 -29.070 -13.397 -16.631 1.00 22.31 N ATOM 732 CA GLY A 44 -28.515 -12.719 -15.474 1.00 41.45 C ATOM 733 C GLY A 44 -27.283 -13.414 -14.929 1.00 75.54 C ATOM 734 O GLY A 44 -26.731 -14.307 -15.572 1.00 34.22 O ATOM 0 H GLY A 44 -29.245 -12.797 -17.437 1.00 22.31 H new ATOM 0 HA2 GLY A 44 -28.260 -11.694 -15.745 1.00 41.45 H new ATOM 0 HA3 GLY A 44 -29.272 -12.663 -14.692 1.00 41.45 H new ATOM 738 N ALA A 45 -26.851 -13.004 -13.742 1.00 22.13 N ATOM 739 CA ALA A 45 -25.677 -13.594 -13.111 1.00 30.55 C ATOM 740 C ALA A 45 -26.002 -14.962 -12.518 1.00 4.50 C ATOM 741 O ALA A 45 -25.492 -15.984 -12.976 1.00 64.10 O ATOM 742 CB ALA A 45 -25.133 -12.666 -12.035 1.00 33.25 C ATOM 0 H ALA A 45 -27.296 -12.265 -13.197 1.00 22.13 H new ATOM 0 HA ALA A 45 -24.914 -13.731 -13.877 1.00 30.55 H new ATOM 0 HB1 ALA A 45 -24.256 -13.120 -11.572 1.00 33.25 H new ATOM 0 HB2 ALA A 45 -24.854 -11.713 -12.484 1.00 33.25 H new ATOM 0 HB3 ALA A 45 -25.898 -12.500 -11.277 1.00 33.25 H new ATOM 748 N ASP A 46 -26.852 -14.972 -11.497 1.00 43.23 N ATOM 749 CA ASP A 46 -27.245 -16.214 -10.842 1.00 4.01 C ATOM 750 C ASP A 46 -28.672 -16.599 -11.218 1.00 11.22 C ATOM 751 O ASP A 46 -29.107 -17.724 -10.974 1.00 22.31 O ATOM 752 CB ASP A 46 -27.124 -16.075 -9.324 1.00 5.14 C ATOM 753 CG ASP A 46 -26.774 -17.386 -8.648 1.00 72.51 C ATOM 754 OD1 ASP A 46 -26.120 -18.231 -9.295 1.00 2.51 O ATOM 755 OD2 ASP A 46 -27.156 -17.569 -7.473 1.00 31.20 O ATOM 0 H ASP A 46 -27.282 -14.134 -11.105 1.00 43.23 H new ATOM 0 HA ASP A 46 -26.574 -17.003 -11.181 1.00 4.01 H new ATOM 0 HB2 ASP A 46 -26.360 -15.334 -9.090 1.00 5.14 H new ATOM 0 HB3 ASP A 46 -28.065 -15.701 -8.920 1.00 5.14 H new ATOM 760 N SER A 47 -29.397 -15.656 -11.812 1.00 22.02 N ATOM 761 CA SER A 47 -30.777 -15.895 -12.217 1.00 11.31 C ATOM 762 C SER A 47 -31.307 -14.732 -13.051 1.00 71.41 C ATOM 763 O SER A 47 -30.768 -13.626 -13.034 1.00 2.31 O ATOM 764 CB SER A 47 -31.664 -16.100 -10.987 1.00 64.30 C ATOM 765 OG SER A 47 -31.136 -15.424 -9.859 1.00 25.40 O ATOM 0 H SER A 47 -29.051 -14.720 -12.023 1.00 22.02 H new ATOM 0 HA SER A 47 -30.799 -16.798 -12.827 1.00 11.31 H new ATOM 0 HB2 SER A 47 -32.670 -15.735 -11.195 1.00 64.30 H new ATOM 0 HB3 SER A 47 -31.749 -17.165 -10.770 1.00 64.30 H new ATOM 0 HG SER A 47 -31.722 -15.569 -9.087 1.00 25.40 H new ATOM 771 N PRO A 48 -32.390 -14.988 -13.800 1.00 61.32 N ATOM 772 CA PRO A 48 -33.018 -13.977 -14.655 1.00 40.23 C ATOM 773 C PRO A 48 -33.713 -12.886 -13.848 1.00 53.10 C ATOM 774 O PRO A 48 -33.902 -11.768 -14.328 1.00 71.15 O ATOM 775 CB PRO A 48 -34.042 -14.780 -15.462 1.00 4.03 C ATOM 776 CG PRO A 48 -34.354 -15.961 -14.608 1.00 42.45 C ATOM 777 CD PRO A 48 -33.085 -16.285 -13.870 1.00 1.34 C ATOM 0 HA PRO A 48 -32.287 -13.453 -15.270 1.00 40.23 H new ATOM 0 HB2 PRO A 48 -34.936 -14.191 -15.665 1.00 4.03 H new ATOM 0 HB3 PRO A 48 -33.635 -15.085 -16.426 1.00 4.03 H new ATOM 0 HG2 PRO A 48 -35.163 -15.737 -13.913 1.00 42.45 H new ATOM 0 HG3 PRO A 48 -34.679 -16.806 -15.215 1.00 42.45 H new ATOM 0 HD2 PRO A 48 -33.289 -16.686 -12.877 1.00 1.34 H new ATOM 0 HD3 PRO A 48 -32.492 -17.031 -14.399 1.00 1.34 H new ATOM 785 N LYS A 49 -34.092 -13.217 -12.618 1.00 74.04 N ATOM 786 CA LYS A 49 -34.766 -12.265 -11.742 1.00 64.54 C ATOM 787 C LYS A 49 -33.858 -11.081 -11.425 1.00 62.43 C ATOM 788 O LYS A 49 -34.325 -10.026 -10.998 1.00 53.55 O ATOM 789 CB LYS A 49 -35.197 -12.952 -10.445 1.00 35.51 C ATOM 790 CG LYS A 49 -36.150 -14.116 -10.661 1.00 3.05 C ATOM 791 CD LYS A 49 -37.567 -13.635 -10.923 1.00 32.34 C ATOM 792 CE LYS A 49 -38.251 -13.189 -9.639 1.00 64.11 C ATOM 793 NZ LYS A 49 -39.686 -12.859 -9.861 1.00 22.43 N ATOM 0 H LYS A 49 -33.944 -14.138 -12.205 1.00 74.04 H new ATOM 0 HA LYS A 49 -35.650 -11.894 -12.261 1.00 64.54 H new ATOM 0 HB2 LYS A 49 -34.311 -13.311 -9.922 1.00 35.51 H new ATOM 0 HB3 LYS A 49 -35.675 -12.218 -9.796 1.00 35.51 H new ATOM 0 HG2 LYS A 49 -35.807 -14.717 -11.503 1.00 3.05 H new ATOM 0 HG3 LYS A 49 -36.141 -14.763 -9.784 1.00 3.05 H new ATOM 0 HD2 LYS A 49 -37.546 -12.807 -11.632 1.00 32.34 H new ATOM 0 HD3 LYS A 49 -38.145 -14.436 -11.385 1.00 32.34 H new ATOM 0 HE2 LYS A 49 -38.171 -13.979 -8.892 1.00 64.11 H new ATOM 0 HE3 LYS A 49 -37.736 -12.317 -9.237 1.00 64.11 H new ATOM 0 HZ1 LYS A 49 -40.116 -12.560 -8.963 1.00 22.43 H new ATOM 0 HZ2 LYS A 49 -39.762 -12.088 -10.555 1.00 22.43 H new ATOM 0 HZ3 LYS A 49 -40.184 -13.698 -10.220 1.00 22.43 H new ATOM 807 N ASP A 50 -32.559 -11.264 -11.638 1.00 13.11 N ATOM 808 CA ASP A 50 -31.586 -10.210 -11.377 1.00 52.51 C ATOM 809 C ASP A 50 -31.945 -8.938 -12.140 1.00 61.22 C ATOM 810 O ASP A 50 -31.654 -7.829 -11.691 1.00 22.41 O ATOM 811 CB ASP A 50 -30.182 -10.674 -11.767 1.00 31.11 C ATOM 812 CG ASP A 50 -29.674 -11.790 -10.876 1.00 25.40 C ATOM 813 OD1 ASP A 50 -29.977 -11.767 -9.665 1.00 62.20 O ATOM 814 OD2 ASP A 50 -28.972 -12.687 -11.390 1.00 5.24 O ATOM 0 H ASP A 50 -32.156 -12.132 -11.991 1.00 13.11 H new ATOM 0 HA ASP A 50 -31.604 -9.990 -10.310 1.00 52.51 H new ATOM 0 HB2 ASP A 50 -30.189 -11.014 -12.802 1.00 31.11 H new ATOM 0 HB3 ASP A 50 -29.495 -9.829 -11.714 1.00 31.11 H new ATOM 819 N TYR A 51 -32.577 -9.107 -13.296 1.00 50.22 N ATOM 820 CA TYR A 51 -32.972 -7.973 -14.124 1.00 33.24 C ATOM 821 C TYR A 51 -34.341 -7.444 -13.705 1.00 63.12 C ATOM 822 O TYR A 51 -34.668 -6.282 -13.940 1.00 2.44 O ATOM 823 CB TYR A 51 -32.998 -8.376 -15.599 1.00 32.21 C ATOM 824 CG TYR A 51 -31.627 -8.645 -16.177 1.00 53.24 C ATOM 825 CD1 TYR A 51 -30.628 -7.680 -16.124 1.00 32.52 C ATOM 826 CD2 TYR A 51 -31.331 -9.862 -16.778 1.00 52.14 C ATOM 827 CE1 TYR A 51 -29.374 -7.921 -16.652 1.00 13.04 C ATOM 828 CE2 TYR A 51 -30.080 -10.112 -17.307 1.00 42.44 C ATOM 829 CZ TYR A 51 -29.105 -9.138 -17.242 1.00 21.11 C ATOM 830 OH TYR A 51 -27.858 -9.383 -17.769 1.00 45.50 O ATOM 0 H TYR A 51 -32.827 -10.018 -13.681 1.00 50.22 H new ATOM 0 HA TYR A 51 -32.237 -7.180 -13.984 1.00 33.24 H new ATOM 0 HB2 TYR A 51 -33.613 -9.269 -15.712 1.00 32.21 H new ATOM 0 HB3 TYR A 51 -33.477 -7.584 -16.175 1.00 32.21 H new ATOM 0 HD1 TYR A 51 -30.835 -6.726 -15.662 1.00 32.52 H new ATOM 0 HD2 TYR A 51 -32.092 -10.626 -16.832 1.00 52.14 H new ATOM 0 HE1 TYR A 51 -28.609 -7.160 -16.603 1.00 13.04 H new ATOM 0 HE2 TYR A 51 -29.866 -11.065 -17.769 1.00 42.44 H new ATOM 0 HH TYR A 51 -27.839 -10.281 -18.160 1.00 45.50 H new ATOM 840 N GLY A 52 -35.137 -8.308 -13.083 1.00 31.22 N ATOM 841 CA GLY A 52 -36.461 -7.911 -12.640 1.00 41.15 C ATOM 842 C GLY A 52 -37.562 -8.691 -13.332 1.00 24.14 C ATOM 843 O GLY A 52 -37.805 -9.853 -13.007 1.00 45.11 O ATOM 0 H GLY A 52 -34.889 -9.276 -12.878 1.00 31.22 H new ATOM 0 HA2 GLY A 52 -36.539 -8.056 -11.563 1.00 41.15 H new ATOM 0 HA3 GLY A 52 -36.600 -6.847 -12.829 1.00 41.15 H new ATOM 847 N GLU A 53 -38.230 -8.050 -14.286 1.00 24.42 N ATOM 848 CA GLU A 53 -39.312 -8.692 -15.022 1.00 73.30 C ATOM 849 C GLU A 53 -39.220 -8.375 -16.512 1.00 11.02 C ATOM 850 O GLU A 53 -40.235 -8.267 -17.198 1.00 73.21 O ATOM 851 CB GLU A 53 -40.668 -8.240 -14.476 1.00 73.11 C ATOM 852 CG GLU A 53 -40.979 -6.779 -14.752 1.00 2.51 C ATOM 853 CD GLU A 53 -42.053 -6.227 -13.834 1.00 64.02 C ATOM 854 OE1 GLU A 53 -41.948 -6.435 -12.607 1.00 45.22 O ATOM 855 OE2 GLU A 53 -42.998 -5.588 -14.342 1.00 65.35 O ATOM 0 H GLU A 53 -38.041 -7.088 -14.567 1.00 24.42 H new ATOM 0 HA GLU A 53 -39.216 -9.770 -14.891 1.00 73.30 H new ATOM 0 HB2 GLU A 53 -41.451 -8.859 -14.914 1.00 73.11 H new ATOM 0 HB3 GLU A 53 -40.692 -8.411 -13.400 1.00 73.11 H new ATOM 0 HG2 GLU A 53 -40.069 -6.190 -14.636 1.00 2.51 H new ATOM 0 HG3 GLU A 53 -41.300 -6.669 -15.788 1.00 2.51 H new ATOM 862 N ASN A 54 -37.995 -8.226 -17.004 1.00 64.13 N ATOM 863 CA ASN A 54 -37.769 -7.920 -18.412 1.00 43.12 C ATOM 864 C ASN A 54 -36.286 -8.016 -18.759 1.00 1.44 C ATOM 865 O ASN A 54 -35.598 -7.010 -18.934 1.00 3.14 O ATOM 866 CB ASN A 54 -38.292 -6.520 -18.741 1.00 65.25 C ATOM 867 CG ASN A 54 -37.886 -5.492 -17.703 1.00 24.30 C ATOM 868 OD1 ASN A 54 -38.801 -5.177 -16.794 1.00 63.04 O flip ATOM 869 ND2 ASN A 54 -36.763 -4.988 -17.718 1.00 24.35 N flip ATOM 0 H ASN A 54 -37.144 -8.312 -16.449 1.00 64.13 H new ATOM 0 HA ASN A 54 -38.311 -8.653 -19.009 1.00 43.12 H new ATOM 0 HB2 ASN A 54 -37.915 -6.215 -19.717 1.00 65.25 H new ATOM 0 HB3 ASN A 54 -39.379 -6.549 -18.814 1.00 65.25 H new ATOM 0 HD21 ASN A 54 -36.091 -5.260 -18.436 1.00 24.35 H new ATOM 0 HD22 ASN A 54 -36.504 -4.298 -17.013 1.00 24.35 H new ATOM 876 N PRO A 55 -35.781 -9.254 -18.861 1.00 20.01 N ATOM 877 CA PRO A 55 -34.375 -9.511 -19.188 1.00 74.24 C ATOM 878 C PRO A 55 -34.041 -9.150 -20.632 1.00 1.24 C ATOM 879 O PRO A 55 -34.922 -8.910 -21.457 1.00 73.42 O ATOM 880 CB PRO A 55 -34.230 -11.019 -18.967 1.00 42.21 C ATOM 881 CG PRO A 55 -35.603 -11.564 -19.157 1.00 51.03 C ATOM 882 CD PRO A 55 -36.543 -10.499 -18.665 1.00 54.54 C ATOM 0 HA PRO A 55 -33.698 -8.910 -18.581 1.00 74.24 H new ATOM 0 HB2 PRO A 55 -33.528 -11.457 -19.677 1.00 42.21 H new ATOM 0 HB3 PRO A 55 -33.852 -11.238 -17.968 1.00 42.21 H new ATOM 0 HG2 PRO A 55 -35.789 -11.795 -20.206 1.00 51.03 H new ATOM 0 HG3 PRO A 55 -35.736 -12.490 -18.598 1.00 51.03 H new ATOM 0 HD2 PRO A 55 -37.475 -10.493 -19.231 1.00 54.54 H new ATOM 0 HD3 PRO A 55 -36.807 -10.648 -17.618 1.00 54.54 H new ATOM 890 N PRO A 56 -32.737 -9.109 -20.945 1.00 75.24 N ATOM 891 CA PRO A 56 -32.257 -8.779 -22.290 1.00 50.23 C ATOM 892 C PRO A 56 -32.567 -9.876 -23.303 1.00 20.35 C ATOM 893 O PRO A 56 -32.814 -11.025 -22.933 1.00 43.02 O ATOM 894 CB PRO A 56 -30.745 -8.637 -22.102 1.00 4.13 C ATOM 895 CG PRO A 56 -30.431 -9.476 -20.911 1.00 40.41 C ATOM 896 CD PRO A 56 -31.632 -9.383 -20.012 1.00 34.45 C ATOM 0 HA PRO A 56 -32.738 -7.884 -22.685 1.00 50.23 H new ATOM 0 HB2 PRO A 56 -30.203 -8.981 -22.983 1.00 4.13 H new ATOM 0 HB3 PRO A 56 -30.462 -7.597 -21.939 1.00 4.13 H new ATOM 0 HG2 PRO A 56 -30.239 -10.509 -21.201 1.00 40.41 H new ATOM 0 HG3 PRO A 56 -29.536 -9.116 -20.405 1.00 40.41 H new ATOM 0 HD2 PRO A 56 -31.793 -10.309 -19.460 1.00 34.45 H new ATOM 0 HD3 PRO A 56 -31.522 -8.587 -19.275 1.00 34.45 H new ATOM 904 N THR A 57 -32.552 -9.516 -24.582 1.00 75.23 N ATOM 905 CA THR A 57 -32.833 -10.470 -25.648 1.00 23.11 C ATOM 906 C THR A 57 -31.879 -11.658 -25.587 1.00 41.35 C ATOM 907 O THR A 57 -32.201 -12.749 -26.057 1.00 43.15 O ATOM 908 CB THR A 57 -32.725 -9.810 -27.035 1.00 51.14 C ATOM 909 OG1 THR A 57 -32.999 -10.773 -28.059 1.00 21.21 O ATOM 910 CG2 THR A 57 -31.340 -9.217 -27.247 1.00 30.50 C ATOM 0 H THR A 57 -32.348 -8.570 -24.905 1.00 75.23 H new ATOM 0 HA THR A 57 -33.855 -10.819 -25.499 1.00 23.11 H new ATOM 0 HB THR A 57 -33.459 -9.006 -27.087 1.00 51.14 H new ATOM 0 HG1 THR A 57 -32.930 -10.345 -28.938 1.00 21.21 H new ATOM 0 HG21 THR A 57 -31.288 -8.757 -28.234 1.00 30.50 H new ATOM 0 HG22 THR A 57 -31.146 -8.463 -26.484 1.00 30.50 H new ATOM 0 HG23 THR A 57 -30.591 -10.006 -27.175 1.00 30.50 H new ATOM 918 N SER A 58 -30.704 -11.438 -25.005 1.00 72.44 N ATOM 919 CA SER A 58 -29.702 -12.491 -24.886 1.00 41.24 C ATOM 920 C SER A 58 -30.190 -13.604 -23.965 1.00 30.24 C ATOM 921 O SER A 58 -29.638 -14.705 -23.955 1.00 10.13 O ATOM 922 CB SER A 58 -28.387 -11.915 -24.357 1.00 12.40 C ATOM 923 OG SER A 58 -28.622 -10.802 -23.511 1.00 20.42 O ATOM 0 H SER A 58 -30.423 -10.541 -24.609 1.00 72.44 H new ATOM 0 HA SER A 58 -29.533 -12.912 -25.877 1.00 41.24 H new ATOM 0 HB2 SER A 58 -27.844 -12.684 -23.809 1.00 12.40 H new ATOM 0 HB3 SER A 58 -27.756 -11.614 -25.193 1.00 12.40 H new ATOM 0 HG SER A 58 -28.423 -9.974 -23.997 1.00 20.42 H new ATOM 929 N CYS A 59 -31.229 -13.310 -23.190 1.00 51.34 N ATOM 930 CA CYS A 59 -31.793 -14.284 -22.264 1.00 13.42 C ATOM 931 C CYS A 59 -32.647 -15.309 -23.005 1.00 42.40 C ATOM 932 O CYS A 59 -32.851 -16.424 -22.526 1.00 71.14 O ATOM 933 CB CYS A 59 -32.635 -13.578 -21.199 1.00 3.52 C ATOM 934 SG CYS A 59 -33.574 -14.708 -20.123 1.00 21.41 S ATOM 0 H CYS A 59 -31.697 -12.404 -23.185 1.00 51.34 H new ATOM 0 HA CYS A 59 -30.968 -14.807 -21.779 1.00 13.42 H new ATOM 0 HB2 CYS A 59 -31.979 -12.965 -20.580 1.00 3.52 H new ATOM 0 HB3 CYS A 59 -33.332 -12.901 -21.692 1.00 3.52 H new ATOM 939 N SER A 60 -33.142 -14.922 -24.176 1.00 54.22 N ATOM 940 CA SER A 60 -33.977 -15.805 -24.982 1.00 63.14 C ATOM 941 C SER A 60 -33.336 -16.066 -26.342 1.00 41.02 C ATOM 942 O SER A 60 -32.458 -15.323 -26.781 1.00 52.44 O ATOM 943 CB SER A 60 -35.368 -15.197 -25.170 1.00 2.31 C ATOM 944 OG SER A 60 -35.285 -13.809 -25.443 1.00 42.32 O ATOM 0 H SER A 60 -32.979 -14.003 -24.588 1.00 54.22 H new ATOM 0 HA SER A 60 -34.072 -16.755 -24.455 1.00 63.14 H new ATOM 0 HB2 SER A 60 -35.881 -15.702 -25.988 1.00 2.31 H new ATOM 0 HB3 SER A 60 -35.964 -15.359 -24.272 1.00 2.31 H new ATOM 0 HG SER A 60 -36.187 -13.444 -25.561 1.00 42.32 H new ATOM 950 N LYS A 61 -33.781 -17.128 -27.005 1.00 31.11 N ATOM 951 CA LYS A 61 -33.254 -17.489 -28.316 1.00 20.14 C ATOM 952 C LYS A 61 -34.201 -18.440 -29.040 1.00 33.21 C ATOM 953 O LYS A 61 -34.664 -19.427 -28.467 1.00 0.45 O ATOM 954 CB LYS A 61 -31.875 -18.137 -28.173 1.00 2.33 C ATOM 955 CG LYS A 61 -31.319 -18.678 -29.478 1.00 61.33 C ATOM 956 CD LYS A 61 -30.013 -17.997 -29.854 1.00 34.44 C ATOM 957 CE LYS A 61 -30.187 -16.492 -29.981 1.00 5.45 C ATOM 958 NZ LYS A 61 -28.983 -15.843 -30.571 1.00 53.23 N ATOM 0 H LYS A 61 -34.506 -17.754 -26.656 1.00 31.11 H new ATOM 0 HA LYS A 61 -33.161 -16.577 -28.906 1.00 20.14 H new ATOM 0 HB2 LYS A 61 -31.178 -17.403 -27.767 1.00 2.33 H new ATOM 0 HB3 LYS A 61 -31.938 -18.950 -27.450 1.00 2.33 H new ATOM 0 HG2 LYS A 61 -31.157 -19.752 -29.388 1.00 61.33 H new ATOM 0 HG3 LYS A 61 -32.049 -18.531 -30.274 1.00 61.33 H new ATOM 0 HD2 LYS A 61 -29.257 -18.215 -29.099 1.00 34.44 H new ATOM 0 HD3 LYS A 61 -29.648 -18.403 -30.797 1.00 34.44 H new ATOM 0 HE2 LYS A 61 -31.056 -16.278 -30.603 1.00 5.45 H new ATOM 0 HE3 LYS A 61 -30.385 -16.065 -28.998 1.00 5.45 H new ATOM 0 HZ1 LYS A 61 -28.636 -15.104 -29.927 1.00 53.23 H new ATOM 0 HZ2 LYS A 61 -28.239 -16.556 -30.713 1.00 53.23 H new ATOM 0 HZ3 LYS A 61 -29.232 -15.415 -31.486 1.00 53.23 H new ATOM 972 N ASP A 62 -34.484 -18.138 -30.302 1.00 73.32 N ATOM 973 CA ASP A 62 -35.375 -18.968 -31.106 1.00 25.13 C ATOM 974 C ASP A 62 -36.762 -19.045 -30.476 1.00 2.32 C ATOM 975 O ASP A 62 -37.487 -20.020 -30.664 1.00 73.25 O ATOM 976 CB ASP A 62 -34.793 -20.374 -31.262 1.00 33.23 C ATOM 977 CG ASP A 62 -35.243 -21.048 -32.543 1.00 41.34 C ATOM 978 OD1 ASP A 62 -35.237 -20.379 -33.598 1.00 23.30 O ATOM 979 OD2 ASP A 62 -35.602 -22.243 -32.492 1.00 1.13 O ATOM 0 H ASP A 62 -34.110 -17.325 -30.791 1.00 73.32 H new ATOM 0 HA ASP A 62 -35.468 -18.510 -32.091 1.00 25.13 H new ATOM 0 HB2 ASP A 62 -33.705 -20.317 -31.248 1.00 33.23 H new ATOM 0 HB3 ASP A 62 -35.091 -20.984 -30.410 1.00 33.23 H new ATOM 984 N GLY A 63 -37.124 -18.009 -29.725 1.00 43.52 N ATOM 985 CA GLY A 63 -38.422 -17.979 -29.078 1.00 32.01 C ATOM 986 C GLY A 63 -38.461 -18.820 -27.817 1.00 61.14 C ATOM 987 O GLY A 63 -39.521 -19.299 -27.414 1.00 61.22 O ATOM 0 H GLY A 63 -36.541 -17.190 -29.553 1.00 43.52 H new ATOM 0 HA2 GLY A 63 -38.678 -16.949 -28.832 1.00 32.01 H new ATOM 0 HA3 GLY A 63 -39.180 -18.338 -29.774 1.00 32.01 H new ATOM 991 N VAL A 64 -37.301 -19.002 -27.193 1.00 74.14 N ATOM 992 CA VAL A 64 -37.207 -19.792 -25.972 1.00 5.15 C ATOM 993 C VAL A 64 -36.561 -18.990 -24.847 1.00 41.43 C ATOM 994 O VAL A 64 -35.805 -18.051 -25.097 1.00 60.21 O ATOM 995 CB VAL A 64 -36.395 -21.082 -26.198 1.00 55.53 C ATOM 996 CG1 VAL A 64 -34.915 -20.830 -25.958 1.00 23.52 C ATOM 997 CG2 VAL A 64 -36.908 -22.198 -25.301 1.00 11.43 C ATOM 0 H VAL A 64 -36.414 -18.613 -27.513 1.00 74.14 H new ATOM 0 HA VAL A 64 -38.225 -20.057 -25.688 1.00 5.15 H new ATOM 0 HB VAL A 64 -36.522 -21.394 -27.235 1.00 55.53 H new ATOM 0 HG11 VAL A 64 -34.358 -21.752 -26.122 1.00 23.52 H new ATOM 0 HG12 VAL A 64 -34.560 -20.064 -26.647 1.00 23.52 H new ATOM 0 HG13 VAL A 64 -34.765 -20.493 -24.932 1.00 23.52 H new ATOM 0 HG21 VAL A 64 -36.323 -23.102 -25.474 1.00 11.43 H new ATOM 0 HG22 VAL A 64 -36.813 -21.898 -24.257 1.00 11.43 H new ATOM 0 HG23 VAL A 64 -37.956 -22.395 -25.528 1.00 11.43 H new ATOM 1007 N GLN A 65 -36.864 -19.366 -23.609 1.00 72.33 N ATOM 1008 CA GLN A 65 -36.313 -18.681 -22.446 1.00 50.03 C ATOM 1009 C GLN A 65 -35.364 -19.593 -21.676 1.00 60.21 C ATOM 1010 O GLN A 65 -35.678 -20.755 -21.416 1.00 65.12 O ATOM 1011 CB GLN A 65 -37.439 -18.205 -21.527 1.00 54.44 C ATOM 1012 CG GLN A 65 -37.023 -17.088 -20.583 1.00 72.23 C ATOM 1013 CD GLN A 65 -36.826 -17.571 -19.160 1.00 3.11 C ATOM 1014 OE1 GLN A 65 -37.428 -18.558 -18.738 1.00 34.14 O ATOM 1015 NE2 GLN A 65 -35.978 -16.875 -18.411 1.00 22.50 N ATOM 0 H GLN A 65 -37.488 -20.141 -23.385 1.00 72.33 H new ATOM 0 HA GLN A 65 -35.751 -17.816 -22.798 1.00 50.03 H new ATOM 0 HB2 GLN A 65 -38.274 -17.861 -22.137 1.00 54.44 H new ATOM 0 HB3 GLN A 65 -37.799 -19.050 -20.940 1.00 54.44 H new ATOM 0 HG2 GLN A 65 -36.097 -16.640 -20.942 1.00 72.23 H new ATOM 0 HG3 GLN A 65 -37.782 -16.305 -20.595 1.00 72.23 H new ATOM 0 HE21 GLN A 65 -35.500 -16.063 -18.802 1.00 22.50 H new ATOM 0 HE22 GLN A 65 -35.804 -17.153 -17.445 1.00 22.50 H new ATOM 1024 N PHE A 66 -34.202 -19.060 -21.314 1.00 11.51 N ATOM 1025 CA PHE A 66 -33.206 -19.826 -20.574 1.00 71.24 C ATOM 1026 C PHE A 66 -33.455 -19.735 -19.072 1.00 13.03 C ATOM 1027 O PHE A 66 -33.180 -18.711 -18.445 1.00 53.25 O ATOM 1028 CB PHE A 66 -31.799 -19.323 -20.901 1.00 4.22 C ATOM 1029 CG PHE A 66 -31.460 -19.395 -22.362 1.00 52.44 C ATOM 1030 CD1 PHE A 66 -31.841 -20.489 -23.122 1.00 52.33 C ATOM 1031 CD2 PHE A 66 -30.761 -18.368 -22.976 1.00 63.13 C ATOM 1032 CE1 PHE A 66 -31.532 -20.558 -24.468 1.00 2.23 C ATOM 1033 CE2 PHE A 66 -30.449 -18.431 -24.321 1.00 62.42 C ATOM 1034 CZ PHE A 66 -30.834 -19.528 -25.068 1.00 23.14 C ATOM 0 H PHE A 66 -33.927 -18.100 -21.521 1.00 11.51 H new ATOM 0 HA PHE A 66 -33.290 -20.870 -20.875 1.00 71.24 H new ATOM 0 HB2 PHE A 66 -31.704 -18.290 -20.565 1.00 4.22 H new ATOM 0 HB3 PHE A 66 -31.073 -19.909 -20.339 1.00 4.22 H new ATOM 0 HD1 PHE A 66 -32.386 -21.298 -22.658 1.00 52.33 H new ATOM 0 HD2 PHE A 66 -30.457 -17.509 -22.397 1.00 63.13 H new ATOM 0 HE1 PHE A 66 -31.836 -21.416 -25.049 1.00 2.23 H new ATOM 0 HE2 PHE A 66 -29.905 -17.623 -24.788 1.00 62.42 H new ATOM 0 HZ PHE A 66 -30.590 -19.580 -26.119 1.00 23.14 H new ATOM 1044 N THR A 67 -33.979 -20.814 -18.498 1.00 51.11 N ATOM 1045 CA THR A 67 -34.268 -20.857 -17.070 1.00 44.52 C ATOM 1046 C THR A 67 -33.074 -21.387 -16.284 1.00 12.53 C ATOM 1047 O THR A 67 -33.226 -22.237 -15.407 1.00 43.13 O ATOM 1048 CB THR A 67 -35.496 -21.736 -16.771 1.00 54.13 C ATOM 1049 OG1 THR A 67 -35.434 -22.943 -17.540 1.00 1.43 O ATOM 1050 CG2 THR A 67 -36.785 -20.992 -17.090 1.00 24.12 C ATOM 0 H THR A 67 -34.212 -21.670 -19.001 1.00 51.11 H new ATOM 0 HA THR A 67 -34.479 -19.834 -16.759 1.00 44.52 H new ATOM 0 HB THR A 67 -35.489 -21.981 -15.709 1.00 54.13 H new ATOM 0 HG1 THR A 67 -36.218 -23.497 -17.343 1.00 1.43 H new ATOM 0 HG21 THR A 67 -37.639 -21.633 -16.871 1.00 24.12 H new ATOM 0 HG22 THR A 67 -36.844 -20.089 -16.482 1.00 24.12 H new ATOM 0 HG23 THR A 67 -36.797 -20.720 -18.146 1.00 24.12 H new ATOM 1058 N GLU A 68 -31.888 -20.878 -16.602 1.00 50.24 N ATOM 1059 CA GLU A 68 -30.669 -21.302 -15.924 1.00 43.52 C ATOM 1060 C GLU A 68 -29.743 -20.114 -15.676 1.00 53.22 C ATOM 1061 O GLU A 68 -29.646 -19.206 -16.501 1.00 22.12 O ATOM 1062 CB GLU A 68 -29.942 -22.364 -16.751 1.00 21.52 C ATOM 1063 CG GLU A 68 -30.870 -23.401 -17.361 1.00 54.22 C ATOM 1064 CD GLU A 68 -31.264 -23.064 -18.786 1.00 63.35 C ATOM 1065 OE1 GLU A 68 -30.392 -22.591 -19.546 1.00 13.14 O ATOM 1066 OE2 GLU A 68 -32.442 -23.274 -19.143 1.00 0.14 O ATOM 0 H GLU A 68 -31.746 -20.172 -17.324 1.00 50.24 H new ATOM 0 HA GLU A 68 -30.949 -21.730 -14.962 1.00 43.52 H new ATOM 0 HB2 GLU A 68 -29.385 -21.873 -17.549 1.00 21.52 H new ATOM 0 HB3 GLU A 68 -29.213 -22.869 -16.118 1.00 21.52 H new ATOM 0 HG2 GLU A 68 -30.382 -24.375 -17.344 1.00 54.22 H new ATOM 0 HG3 GLU A 68 -31.768 -23.484 -16.749 1.00 54.22 H new ATOM 1073 N GLY A 69 -29.065 -20.128 -14.532 1.00 55.33 N ATOM 1074 CA GLY A 69 -28.157 -19.047 -14.195 1.00 35.11 C ATOM 1075 C GLY A 69 -26.854 -19.123 -14.965 1.00 30.31 C ATOM 1076 O GLY A 69 -26.654 -20.030 -15.774 1.00 31.03 O ATOM 0 H GLY A 69 -29.128 -20.868 -13.833 1.00 55.33 H new ATOM 0 HA2 GLY A 69 -28.642 -18.092 -14.400 1.00 35.11 H new ATOM 0 HA3 GLY A 69 -27.946 -19.074 -13.126 1.00 35.11 H new ATOM 1080 N CYS A 70 -25.965 -18.168 -14.715 1.00 64.24 N ATOM 1081 CA CYS A 70 -24.674 -18.129 -15.392 1.00 50.44 C ATOM 1082 C CYS A 70 -23.559 -18.604 -14.465 1.00 42.15 C ATOM 1083 O CYS A 70 -22.673 -19.354 -14.877 1.00 51.33 O ATOM 1084 CB CYS A 70 -24.375 -16.710 -15.883 1.00 20.54 C ATOM 1085 SG CYS A 70 -25.227 -16.264 -17.430 1.00 3.54 S ATOM 0 H CYS A 70 -26.115 -17.411 -14.049 1.00 64.24 H new ATOM 0 HA CYS A 70 -24.720 -18.801 -16.249 1.00 50.44 H new ATOM 0 HB2 CYS A 70 -24.660 -16.001 -15.106 1.00 20.54 H new ATOM 0 HB3 CYS A 70 -23.300 -16.607 -16.030 1.00 20.54 H new ATOM 1090 N ILE A 71 -23.610 -18.163 -13.213 1.00 43.22 N ATOM 1091 CA ILE A 71 -22.605 -18.544 -12.228 1.00 73.01 C ATOM 1092 C ILE A 71 -22.451 -20.060 -12.158 1.00 54.51 C ATOM 1093 O ILE A 71 -21.379 -20.572 -11.837 1.00 1.10 O ATOM 1094 CB ILE A 71 -22.959 -18.010 -10.828 1.00 12.04 C ATOM 1095 CG1 ILE A 71 -23.071 -16.484 -10.853 1.00 31.21 C ATOM 1096 CG2 ILE A 71 -21.916 -18.453 -9.813 1.00 33.35 C ATOM 1097 CD1 ILE A 71 -23.886 -15.919 -9.711 1.00 22.14 C ATOM 0 H ILE A 71 -24.336 -17.542 -12.856 1.00 43.22 H new ATOM 0 HA ILE A 71 -21.663 -18.100 -12.550 1.00 73.01 H new ATOM 0 HB ILE A 71 -23.924 -18.421 -10.532 1.00 12.04 H new ATOM 0 HG12 ILE A 71 -22.070 -16.054 -10.822 1.00 31.21 H new ATOM 0 HG13 ILE A 71 -23.521 -16.176 -11.797 1.00 31.21 H new ATOM 0 HG21 ILE A 71 -22.180 -18.068 -8.828 1.00 33.35 H new ATOM 0 HG22 ILE A 71 -21.881 -19.542 -9.779 1.00 33.35 H new ATOM 0 HG23 ILE A 71 -20.939 -18.067 -10.103 1.00 33.35 H new ATOM 0 HD11 ILE A 71 -23.923 -14.833 -9.793 1.00 22.14 H new ATOM 0 HD12 ILE A 71 -24.898 -16.320 -9.753 1.00 22.14 H new ATOM 0 HD13 ILE A 71 -23.425 -16.196 -8.763 1.00 22.14 H new ATOM 1109 N LYS A 72 -23.530 -20.773 -12.463 1.00 12.14 N ATOM 1110 CA LYS A 72 -23.516 -22.231 -12.438 1.00 12.31 C ATOM 1111 C LYS A 72 -22.884 -22.790 -13.708 1.00 64.30 C ATOM 1112 O LYS A 72 -22.103 -23.741 -13.659 1.00 34.55 O ATOM 1113 CB LYS A 72 -24.939 -22.772 -12.283 1.00 31.33 C ATOM 1114 CG LYS A 72 -25.575 -22.438 -10.944 1.00 43.34 C ATOM 1115 CD LYS A 72 -25.022 -23.312 -9.831 1.00 14.53 C ATOM 1116 CE LYS A 72 -25.730 -24.657 -9.775 1.00 44.02 C ATOM 1117 NZ LYS A 72 -25.422 -25.394 -8.518 1.00 14.40 N ATOM 0 H LYS A 72 -24.426 -20.365 -12.731 1.00 12.14 H new ATOM 0 HA LYS A 72 -22.918 -22.550 -11.585 1.00 12.31 H new ATOM 0 HB2 LYS A 72 -25.561 -22.368 -13.082 1.00 31.33 H new ATOM 0 HB3 LYS A 72 -24.923 -23.855 -12.408 1.00 31.33 H new ATOM 0 HG2 LYS A 72 -25.397 -21.389 -10.707 1.00 43.34 H new ATOM 0 HG3 LYS A 72 -26.655 -22.571 -11.010 1.00 43.34 H new ATOM 0 HD2 LYS A 72 -23.954 -23.468 -9.986 1.00 14.53 H new ATOM 0 HD3 LYS A 72 -25.134 -22.800 -8.875 1.00 14.53 H new ATOM 0 HE2 LYS A 72 -26.806 -24.504 -9.852 1.00 44.02 H new ATOM 0 HE3 LYS A 72 -25.432 -25.260 -10.632 1.00 44.02 H new ATOM 0 HZ1 LYS A 72 -25.923 -26.305 -8.518 1.00 14.40 H new ATOM 0 HZ2 LYS A 72 -24.398 -25.562 -8.456 1.00 14.40 H new ATOM 0 HZ3 LYS A 72 -25.730 -24.830 -7.700 1.00 14.40 H new ATOM 1131 N LYS A 73 -23.224 -22.193 -14.845 1.00 64.44 N ATOM 1132 CA LYS A 73 -22.687 -22.630 -16.129 1.00 52.31 C ATOM 1133 C LYS A 73 -21.187 -22.367 -16.209 1.00 62.14 C ATOM 1134 O LYS A 73 -20.427 -23.197 -16.709 1.00 20.24 O ATOM 1135 CB LYS A 73 -23.404 -21.911 -17.275 1.00 65.50 C ATOM 1136 CG LYS A 73 -24.902 -22.158 -17.305 1.00 61.12 C ATOM 1137 CD LYS A 73 -25.221 -23.635 -17.464 1.00 21.34 C ATOM 1138 CE LYS A 73 -24.687 -24.183 -18.778 1.00 51.14 C ATOM 1139 NZ LYS A 73 -23.711 -25.287 -18.564 1.00 2.31 N ATOM 0 H LYS A 73 -23.869 -21.405 -14.904 1.00 64.44 H new ATOM 0 HA LYS A 73 -22.855 -23.703 -16.219 1.00 52.31 H new ATOM 0 HB2 LYS A 73 -23.223 -20.840 -17.191 1.00 65.50 H new ATOM 0 HB3 LYS A 73 -22.972 -22.234 -18.222 1.00 65.50 H new ATOM 0 HG2 LYS A 73 -25.352 -21.785 -16.385 1.00 61.12 H new ATOM 0 HG3 LYS A 73 -25.348 -21.598 -18.127 1.00 61.12 H new ATOM 0 HD2 LYS A 73 -24.789 -24.193 -16.634 1.00 21.34 H new ATOM 0 HD3 LYS A 73 -26.300 -23.782 -17.419 1.00 21.34 H new ATOM 0 HE2 LYS A 73 -25.517 -24.545 -19.384 1.00 51.14 H new ATOM 0 HE3 LYS A 73 -24.209 -23.380 -19.339 1.00 51.14 H new ATOM 0 HZ1 LYS A 73 -23.371 -25.633 -19.484 1.00 2.31 H new ATOM 0 HZ2 LYS A 73 -22.906 -24.936 -18.007 1.00 2.31 H new ATOM 0 HZ3 LYS A 73 -24.174 -26.065 -18.051 1.00 2.31 H new ATOM 1153 N VAL A 74 -20.766 -21.208 -15.714 1.00 11.34 N ATOM 1154 CA VAL A 74 -19.356 -20.837 -15.727 1.00 20.20 C ATOM 1155 C VAL A 74 -18.541 -21.743 -14.811 1.00 20.11 C ATOM 1156 O VAL A 74 -17.526 -22.307 -15.221 1.00 15.10 O ATOM 1157 CB VAL A 74 -19.156 -19.373 -15.293 1.00 13.12 C ATOM 1158 CG1 VAL A 74 -17.705 -18.955 -15.476 1.00 14.33 C ATOM 1159 CG2 VAL A 74 -20.087 -18.455 -16.071 1.00 64.24 C ATOM 0 H VAL A 74 -21.382 -20.509 -15.299 1.00 11.34 H new ATOM 0 HA VAL A 74 -19.008 -20.954 -16.753 1.00 20.20 H new ATOM 0 HB VAL A 74 -19.402 -19.289 -14.234 1.00 13.12 H new ATOM 0 HG11 VAL A 74 -17.583 -17.918 -15.164 1.00 14.33 H new ATOM 0 HG12 VAL A 74 -17.063 -19.594 -14.870 1.00 14.33 H new ATOM 0 HG13 VAL A 74 -17.428 -19.053 -16.526 1.00 14.33 H new ATOM 0 HG21 VAL A 74 -19.932 -17.424 -15.752 1.00 64.24 H new ATOM 0 HG22 VAL A 74 -19.875 -18.540 -17.137 1.00 64.24 H new ATOM 0 HG23 VAL A 74 -21.122 -18.742 -15.883 1.00 64.24 H new ATOM 1169 N SER A 75 -18.992 -21.879 -13.568 1.00 11.20 N ATOM 1170 CA SER A 75 -18.303 -22.714 -12.592 1.00 22.15 C ATOM 1171 C SER A 75 -18.310 -24.177 -13.026 1.00 51.52 C ATOM 1172 O SER A 75 -17.354 -24.913 -12.782 1.00 51.11 O ATOM 1173 CB SER A 75 -18.959 -22.576 -11.217 1.00 13.34 C ATOM 1174 OG SER A 75 -18.132 -23.115 -10.200 1.00 12.20 O ATOM 0 H SER A 75 -19.832 -21.421 -13.213 1.00 11.20 H new ATOM 0 HA SER A 75 -17.268 -22.377 -12.529 1.00 22.15 H new ATOM 0 HB2 SER A 75 -19.157 -21.525 -11.009 1.00 13.34 H new ATOM 0 HB3 SER A 75 -19.921 -23.088 -11.217 1.00 13.34 H new ATOM 0 HG SER A 75 -18.573 -23.013 -9.331 1.00 12.20 H new ATOM 1180 N ASP A 76 -19.395 -24.590 -13.672 1.00 12.35 N ATOM 1181 CA ASP A 76 -19.528 -25.964 -14.142 1.00 13.30 C ATOM 1182 C ASP A 76 -18.443 -26.296 -15.161 1.00 72.53 C ATOM 1183 O ASP A 76 -17.702 -27.268 -15.001 1.00 15.52 O ATOM 1184 CB ASP A 76 -20.910 -26.182 -14.760 1.00 32.10 C ATOM 1185 CG ASP A 76 -21.042 -27.541 -15.418 1.00 63.43 C ATOM 1186 OD1 ASP A 76 -20.820 -28.558 -14.728 1.00 60.23 O ATOM 1187 OD2 ASP A 76 -21.366 -27.588 -16.624 1.00 25.53 O ATOM 0 H ASP A 76 -20.195 -23.993 -13.882 1.00 12.35 H new ATOM 0 HA ASP A 76 -19.413 -26.629 -13.286 1.00 13.30 H new ATOM 0 HB2 ASP A 76 -21.671 -26.081 -13.986 1.00 32.10 H new ATOM 0 HB3 ASP A 76 -21.101 -25.404 -15.499 1.00 32.10 H new ATOM 1192 N LEU A 77 -18.355 -25.486 -16.210 1.00 54.11 N ATOM 1193 CA LEU A 77 -17.361 -25.695 -17.257 1.00 52.51 C ATOM 1194 C LEU A 77 -15.962 -25.349 -16.757 1.00 14.14 C ATOM 1195 O LEU A 77 -14.967 -25.874 -17.254 1.00 62.52 O ATOM 1196 CB LEU A 77 -17.700 -24.847 -18.485 1.00 64.41 C ATOM 1197 CG LEU A 77 -17.287 -23.376 -18.420 1.00 72.41 C ATOM 1198 CD1 LEU A 77 -15.892 -23.187 -18.996 1.00 34.21 C ATOM 1199 CD2 LEU A 77 -18.294 -22.507 -19.159 1.00 61.24 C ATOM 0 H LEU A 77 -18.960 -24.678 -16.358 1.00 54.11 H new ATOM 0 HA LEU A 77 -17.377 -26.749 -17.534 1.00 52.51 H new ATOM 0 HB2 LEU A 77 -17.225 -25.299 -19.356 1.00 64.41 H new ATOM 0 HB3 LEU A 77 -18.777 -24.894 -18.648 1.00 64.41 H new ATOM 0 HG LEU A 77 -17.270 -23.069 -17.374 1.00 72.41 H new ATOM 0 HD11 LEU A 77 -15.615 -22.134 -18.941 1.00 34.21 H new ATOM 0 HD12 LEU A 77 -15.179 -23.780 -18.424 1.00 34.21 H new ATOM 0 HD13 LEU A 77 -15.881 -23.511 -20.037 1.00 34.21 H new ATOM 0 HD21 LEU A 77 -17.985 -21.463 -19.103 1.00 61.24 H new ATOM 0 HD22 LEU A 77 -18.343 -22.815 -20.203 1.00 61.24 H new ATOM 0 HD23 LEU A 77 -19.277 -22.619 -18.701 1.00 61.24 H new ATOM 1211 N SER A 78 -15.895 -24.463 -15.768 1.00 34.34 N ATOM 1212 CA SER A 78 -14.618 -24.046 -15.200 1.00 75.32 C ATOM 1213 C SER A 78 -13.939 -25.207 -14.479 1.00 54.32 C ATOM 1214 O SER A 78 -12.720 -25.366 -14.544 1.00 53.13 O ATOM 1215 CB SER A 78 -14.823 -22.879 -14.232 1.00 73.33 C ATOM 1216 OG SER A 78 -13.643 -22.616 -13.494 1.00 45.44 O ATOM 0 H SER A 78 -16.710 -24.020 -15.344 1.00 34.34 H new ATOM 0 HA SER A 78 -13.973 -23.722 -16.017 1.00 75.32 H new ATOM 0 HB2 SER A 78 -15.114 -21.988 -14.788 1.00 73.33 H new ATOM 0 HB3 SER A 78 -15.640 -23.109 -13.548 1.00 73.33 H new ATOM 0 HG SER A 78 -13.799 -21.865 -12.884 1.00 45.44 H new ATOM 1222 N LYS A 79 -14.738 -26.016 -13.791 1.00 42.12 N ATOM 1223 CA LYS A 79 -14.217 -27.163 -13.058 1.00 20.42 C ATOM 1224 C LYS A 79 -14.528 -28.464 -13.791 1.00 32.42 C ATOM 1225 O LYS A 79 -14.776 -29.495 -13.166 1.00 73.44 O ATOM 1226 CB LYS A 79 -14.810 -27.206 -11.648 1.00 13.42 C ATOM 1227 CG LYS A 79 -14.506 -25.967 -10.822 1.00 64.54 C ATOM 1228 CD LYS A 79 -15.465 -25.827 -9.653 1.00 32.14 C ATOM 1229 CE LYS A 79 -15.334 -26.990 -8.681 1.00 63.02 C ATOM 1230 NZ LYS A 79 -13.936 -27.151 -8.194 1.00 45.34 N ATOM 0 H LYS A 79 -15.749 -25.898 -13.726 1.00 42.12 H new ATOM 0 HA LYS A 79 -13.135 -27.056 -12.987 1.00 20.42 H new ATOM 0 HB2 LYS A 79 -15.891 -27.328 -11.721 1.00 13.42 H new ATOM 0 HB3 LYS A 79 -14.425 -28.083 -11.128 1.00 13.42 H new ATOM 0 HG2 LYS A 79 -13.483 -26.019 -10.450 1.00 64.54 H new ATOM 0 HG3 LYS A 79 -14.571 -25.082 -11.455 1.00 64.54 H new ATOM 0 HD2 LYS A 79 -15.269 -24.891 -9.130 1.00 32.14 H new ATOM 0 HD3 LYS A 79 -16.488 -25.776 -10.025 1.00 32.14 H new ATOM 0 HE2 LYS A 79 -15.998 -26.830 -7.832 1.00 63.02 H new ATOM 0 HE3 LYS A 79 -15.657 -27.910 -9.169 1.00 63.02 H new ATOM 0 HZ1 LYS A 79 -13.922 -27.811 -7.391 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 -13.342 -27.526 -8.961 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 -13.566 -26.228 -7.890 1.00 45.34 H new ATOM 1244 N ALA A 80 -14.512 -28.409 -15.119 1.00 4.25 N ATOM 1245 CA ALA A 80 -14.788 -29.584 -15.936 1.00 15.52 C ATOM 1246 C ALA A 80 -13.698 -30.636 -15.771 1.00 21.52 C ATOM 1247 O ALA A 80 -12.561 -30.318 -15.422 1.00 3.31 O ATOM 1248 CB ALA A 80 -14.926 -29.188 -17.399 1.00 32.24 C ATOM 0 H ALA A 80 -14.311 -27.563 -15.652 1.00 4.25 H new ATOM 0 HA ALA A 80 -15.729 -30.019 -15.598 1.00 15.52 H new ATOM 0 HB1 ALA A 80 -15.132 -30.075 -17.998 1.00 32.24 H new ATOM 0 HB2 ALA A 80 -15.746 -28.478 -17.508 1.00 32.24 H new ATOM 0 HB3 ALA A 80 -13.999 -28.727 -17.740 1.00 32.24 H new ATOM 1254 N HIS A 81 -14.052 -31.893 -16.023 1.00 44.21 N ATOM 1255 CA HIS A 81 -13.102 -32.993 -15.902 1.00 71.41 C ATOM 1256 C HIS A 81 -13.374 -34.064 -16.955 1.00 14.05 C ATOM 1257 O HIS A 81 -14.524 -34.436 -17.192 1.00 50.00 O ATOM 1258 CB HIS A 81 -13.175 -33.606 -14.503 1.00 71.44 C ATOM 1259 CG HIS A 81 -14.430 -34.385 -14.256 1.00 31.35 C ATOM 1260 ND1 HIS A 81 -14.444 -35.752 -14.071 1.00 41.32 N ATOM 1261 CD2 HIS A 81 -15.718 -33.981 -14.160 1.00 75.32 C ATOM 1262 CE1 HIS A 81 -15.687 -36.155 -13.875 1.00 45.11 C ATOM 1263 NE2 HIS A 81 -16.479 -35.100 -13.924 1.00 15.32 N ATOM 0 H HIS A 81 -14.989 -32.174 -16.312 1.00 44.21 H new ATOM 0 HA HIS A 81 -12.100 -32.595 -16.064 1.00 71.41 H new ATOM 0 HB2 HIS A 81 -12.316 -34.261 -14.357 1.00 71.44 H new ATOM 0 HB3 HIS A 81 -13.099 -32.810 -13.762 1.00 71.44 H new ATOM 0 HD2 HIS A 81 -16.080 -32.968 -14.252 1.00 75.32 H new ATOM 0 HE1 HIS A 81 -16.001 -37.174 -13.704 1.00 45.11 H new ATOM 0 HE2 HIS A 81 -17.492 -35.114 -13.806 1.00 15.32 H new TER 1272 HIS A 81