USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 785 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 NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD NoAdj-H: A 125 HIS HE2 : A 125 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD Set 1.1: A 137 LYS NZ :NH3+ -135:sc= 0 (180deg=0) USER MOD Set 1.2: A 140 ASN : amide:sc= 0.576 X(o=0.58,f=0.3) USER MOD Set 2.1: A 100 SER OG : rot -64:sc= 0.267 USER MOD Set 2.2: A 135 MET CE :methyl 163:sc= -0.051 (180deg=-0.285) USER MOD Set 3.1: A 73 LYS NZ :NH3+ -164:sc= 2.59 (180deg=0.637) USER MOD Set 3.2: A 99 ASN : amide:sc= 0.16 K(o=3.5,f=-0.62) USER MOD Set 3.3: A 101 SER OG : rot -90:sc= 0.703 USER MOD Set 4.1: A 61 GLN : amide:sc= 0.497 K(o=2.8,f=-14!) USER MOD Set 4.2: A 65 LYS NZ :NH3+ -154:sc= 2.25 (180deg=-0.297!) USER MOD Set 5.1: A -1 HIS :FLIP no HD1:sc= 0.555 F(o=-1.1,f=1.2) USER MOD Set 5.2: A 60 ASN :FLIP amide:sc= 0.624 F(o=0.28,f=1.2) USER MOD Single : A -2 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.09) USER MOD Single : A -3 HIS : no HD1:sc= -0.068 X(o=-0.068,f=-0.53) USER MOD Single : A -4 HIS :FLIP no HD1:sc= 0 F(o=-0.54,f=0) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ 162:sc= 1.38 (180deg=0.961) USER MOD Single : A 62 GLN :FLIP amide:sc=-0.00017 F(o=-0.94,f=-0.00017) USER MOD Single : A 63 ASN : amide:sc= 1.14 K(o=1.1,f=-0.11) USER MOD Single : A 64 LYS NZ :NH3+ 139:sc= -0.839 (180deg=-2.91!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 149:sc= -1.6! USER MOD Single : A 74 TYR OH : rot 180:sc= -0.472 USER MOD Single : A 75 CYS SG : rot -134:sc= -3.77! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.25 K(o=-1.2,f=-5.1!) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0.0251 USER MOD Single : A 83 ASN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 84 MET CE :methyl -167:sc= -0.0396 (180deg=-0.27) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -70:sc= 1.22 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -164:sc= -4.65! USER MOD Single : A 107 CYS SG : rot 49:sc= -5.65! USER MOD Single : A 108 ASN :FLIP amide:sc= -0.0789 F(o=-0.91,f=-0.079) USER MOD Single : A 111 THR OG1 : rot 85:sc= -0.242 USER MOD Single : A 112 LYS NZ :NH3+ -168:sc= 1.05 (180deg=0.617!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -3.58! C(o=-3.6!,f=-6.9!) USER MOD Single : A 123 LYS NZ :NH3+ 161:sc= 0.212 (180deg=0.109) USER MOD Single : A 124 TYR OH : rot -177:sc= -1.09 USER MOD Single : A 130 ASN :FLIP amide:sc= -0.775 F(o=-3.9!,f=-0.77) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 ASN : amide:sc= -0.012 K(o=-0.012,f=-0.91) USER MOD Single : A 141 GLN : amide:sc= -2.38! C(o=-2.4!,f=-3!) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : A 146 GLN : amide:sc= -0.833 X(o=-0.83,f=-0.37) USER MOD Single : A 147 THR OG1 : rot -156:sc= -2.55! USER MOD Single : A 149 ASN :FLIP amide:sc= -1.88! C(o=-3.9!,f=-1.9!) USER MOD Single : A 152 THR OG1 : rot -85:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 15.738 8.948 -13.117 1.00 21.31 N ATOM 2 CA MET A -8 14.368 8.528 -12.812 1.00 22.34 C ATOM 3 C MET A -8 13.405 9.656 -13.060 1.00 71.24 C ATOM 4 O MET A -8 13.809 10.816 -13.089 1.00 51.03 O ATOM 5 CB MET A -8 14.227 8.035 -11.359 1.00 52.44 C ATOM 6 CG MET A -8 14.816 6.658 -11.080 1.00 53.52 C ATOM 7 SD MET A -8 16.583 6.552 -11.413 1.00 10.25 S ATOM 8 CE MET A -8 16.891 4.843 -10.958 1.00 43.54 C ATOM 0 H1 MET A -8 16.410 8.294 -12.667 1.00 21.31 H new ATOM 0 H2 MET A -8 15.883 8.938 -14.147 1.00 21.31 H new ATOM 0 H3 MET A -8 15.895 9.910 -12.754 1.00 21.31 H new ATOM 0 HA MET A -8 14.132 7.695 -13.474 1.00 22.34 H new ATOM 0 HB2 MET A -8 14.707 8.758 -10.699 1.00 52.44 H new ATOM 0 HB3 MET A -8 13.169 8.019 -11.099 1.00 52.44 H new ATOM 0 HG2 MET A -8 14.635 6.398 -10.037 1.00 53.52 H new ATOM 0 HG3 MET A -8 14.295 5.919 -11.688 1.00 53.52 H new ATOM 0 HE1 MET A -8 17.946 4.612 -11.106 1.00 43.54 H new ATOM 0 HE2 MET A -8 16.630 4.693 -9.911 1.00 43.54 H new ATOM 0 HE3 MET A -8 16.285 4.186 -11.581 1.00 43.54 H new ATOM 17 N ALA A -7 12.150 9.288 -13.282 1.00 22.21 N ATOM 18 CA ALA A -7 11.019 10.197 -13.448 1.00 54.05 C ATOM 19 C ALA A -7 11.213 11.285 -14.495 1.00 44.42 C ATOM 20 O ALA A -7 11.559 12.423 -14.181 1.00 5.03 O ATOM 21 CB ALA A -7 10.534 10.775 -12.121 1.00 75.23 C ATOM 0 H ALA A -7 11.879 8.307 -13.355 1.00 22.21 H new ATOM 0 HA ALA A -7 10.229 9.560 -13.847 1.00 54.05 H new ATOM 0 HB1 ALA A -7 9.692 11.444 -12.301 1.00 75.23 H new ATOM 0 HB2 ALA A -7 10.219 9.964 -11.464 1.00 75.23 H new ATOM 0 HB3 ALA A -7 11.344 11.330 -11.648 1.00 75.23 H new ATOM 27 N HIS A -6 11.055 10.914 -15.739 1.00 35.14 N ATOM 28 CA HIS A -6 11.009 11.881 -16.829 1.00 1.22 C ATOM 29 C HIS A -6 9.561 12.249 -17.024 1.00 4.42 C ATOM 30 O HIS A -6 9.209 13.314 -17.546 1.00 54.50 O ATOM 31 CB HIS A -6 11.620 11.321 -18.118 1.00 50.31 C ATOM 32 CG HIS A -6 13.110 11.181 -18.058 1.00 51.25 C ATOM 33 ND1 HIS A -6 13.978 11.979 -18.760 1.00 64.23 N ATOM 34 CD2 HIS A -6 13.881 10.320 -17.360 1.00 64.44 C ATOM 35 CE1 HIS A -6 15.216 11.597 -18.479 1.00 73.10 C ATOM 36 NE2 HIS A -6 15.220 10.587 -17.630 1.00 63.52 N ATOM 0 H HIS A -6 10.954 9.943 -16.034 1.00 35.14 H new ATOM 0 HA HIS A -6 11.604 12.760 -16.579 1.00 1.22 H new ATOM 0 HB2 HIS A -6 11.179 10.346 -18.327 1.00 50.31 H new ATOM 0 HB3 HIS A -6 11.357 11.975 -18.950 1.00 50.31 H new ATOM 0 HD2 HIS A -6 13.517 9.548 -16.698 1.00 64.44 H new ATOM 0 HE1 HIS A -6 16.104 12.053 -18.891 1.00 73.10 H new ATOM 0 HE2 HIS A -6 16.034 10.103 -17.251 1.00 63.52 H new ATOM 44 N HIS A -5 8.735 11.348 -16.578 1.00 65.10 N ATOM 45 CA HIS A -5 7.337 11.533 -16.510 1.00 12.04 C ATOM 46 C HIS A -5 7.022 11.557 -15.042 1.00 11.21 C ATOM 47 O HIS A -5 7.426 10.652 -14.314 1.00 20.35 O ATOM 48 CB HIS A -5 6.593 10.375 -17.196 1.00 54.24 C ATOM 49 CG HIS A -5 6.917 10.204 -18.655 1.00 63.02 C ATOM 50 ND1 HIS A -5 7.801 9.261 -19.146 1.00 1.21 N ATOM 51 CD2 HIS A -5 6.449 10.865 -19.737 1.00 14.34 C ATOM 52 CE1 HIS A -5 7.841 9.378 -20.470 1.00 13.34 C ATOM 53 NE2 HIS A -5 7.034 10.341 -20.884 1.00 24.10 N ATOM 0 H HIS A -5 9.040 10.435 -16.242 1.00 65.10 H new ATOM 0 HA HIS A -5 7.025 12.445 -17.018 1.00 12.04 H new ATOM 0 HB2 HIS A -5 6.829 9.448 -16.673 1.00 54.24 H new ATOM 0 HB3 HIS A -5 5.520 10.536 -17.091 1.00 54.24 H new ATOM 0 HD2 HIS A -5 5.733 11.673 -19.714 1.00 14.34 H new ATOM 0 HE1 HIS A -5 8.451 8.768 -21.120 1.00 13.34 H new ATOM 0 HE2 HIS A -5 6.874 10.638 -21.847 1.00 24.10 H new ATOM 61 N HIS A -4 6.385 12.599 -14.592 1.00 21.11 N ATOM 62 CA HIS A -4 6.073 12.732 -13.181 1.00 60.11 C ATOM 63 C HIS A -4 4.774 11.979 -12.893 1.00 51.22 C ATOM 64 O HIS A -4 4.483 11.617 -11.756 1.00 2.44 O ATOM 65 CB HIS A -4 5.999 14.231 -12.805 1.00 13.21 C ATOM 66 CG HIS A -4 5.793 14.535 -11.343 1.00 44.12 C ATOM 67 ND1 HIS A -4 4.718 15.050 -10.711 1.00 3.54 N flip ATOM 68 CD2 HIS A -4 6.747 14.337 -10.363 1.00 74.40 C flip ATOM 69 CE1 HIS A -4 4.993 15.173 -9.355 1.00 60.51 C flip ATOM 70 NE2 HIS A -4 6.231 14.727 -9.199 1.00 43.42 N flip ATOM 0 H HIS A -4 6.067 13.374 -15.174 1.00 21.11 H new ATOM 0 HA HIS A -4 6.854 12.292 -12.562 1.00 60.11 H new ATOM 0 HB2 HIS A -4 6.921 14.713 -13.130 1.00 13.21 H new ATOM 0 HB3 HIS A -4 5.185 14.687 -13.369 1.00 13.21 H new ATOM 0 HD2 HIS A -4 7.738 13.936 -10.515 1.00 74.40 H new ATOM 0 HE1 HIS A -4 4.335 15.553 -8.588 1.00 60.51 H new ATOM 0 HE2 HIS A -4 6.723 14.688 -8.306 1.00 43.42 H new ATOM 78 N HIS A -3 4.012 11.758 -13.969 1.00 61.13 N ATOM 79 CA HIS A -3 2.774 10.976 -13.972 1.00 64.32 C ATOM 80 C HIS A -3 1.661 11.641 -13.186 1.00 51.13 C ATOM 81 O HIS A -3 0.698 10.978 -12.751 1.00 71.51 O ATOM 82 CB HIS A -3 2.989 9.510 -13.513 1.00 63.11 C ATOM 83 CG HIS A -3 3.854 8.684 -14.436 1.00 24.24 C ATOM 84 ND1 HIS A -3 3.417 8.147 -15.632 1.00 62.15 N ATOM 85 CD2 HIS A -3 5.146 8.306 -14.314 1.00 24.54 C ATOM 86 CE1 HIS A -3 4.427 7.481 -16.183 1.00 13.02 C ATOM 87 NE2 HIS A -3 5.507 7.543 -15.423 1.00 35.30 N ATOM 0 H HIS A -3 4.248 12.130 -14.889 1.00 61.13 H new ATOM 0 HA HIS A -3 2.455 10.941 -15.014 1.00 64.32 H new ATOM 0 HB2 HIS A -3 3.441 9.516 -12.521 1.00 63.11 H new ATOM 0 HB3 HIS A -3 2.017 9.026 -13.418 1.00 63.11 H new ATOM 0 HD2 HIS A -3 5.796 8.556 -13.488 1.00 24.54 H new ATOM 0 HE1 HIS A -3 4.372 6.958 -17.127 1.00 13.02 H new ATOM 0 HE2 HIS A -3 6.416 7.120 -15.610 1.00 35.30 H new ATOM 95 N HIS A -2 1.746 12.951 -13.036 1.00 71.33 N ATOM 96 CA HIS A -2 0.693 13.665 -12.372 1.00 11.15 C ATOM 97 C HIS A -2 -0.340 14.065 -13.406 1.00 71.33 C ATOM 98 O HIS A -2 -0.281 15.146 -14.004 1.00 32.44 O ATOM 99 CB HIS A -2 1.195 14.876 -11.563 1.00 33.20 C ATOM 100 CG HIS A -2 0.131 15.495 -10.687 1.00 51.55 C ATOM 101 ND1 HIS A -2 -0.262 16.817 -10.743 1.00 4.12 N ATOM 102 CD2 HIS A -2 -0.602 14.936 -9.699 1.00 65.20 C ATOM 103 CE1 HIS A -2 -1.199 17.008 -9.805 1.00 51.13 C ATOM 104 NE2 HIS A -2 -1.440 15.892 -9.145 1.00 3.10 N ATOM 0 H HIS A -2 2.523 13.526 -13.362 1.00 71.33 H new ATOM 0 HA HIS A -2 0.241 13.005 -11.631 1.00 11.15 H new ATOM 0 HB2 HIS A -2 2.033 14.565 -10.939 1.00 33.20 H new ATOM 0 HB3 HIS A -2 1.573 15.632 -12.251 1.00 33.20 H new ATOM 0 HD2 HIS A -2 -0.544 13.903 -9.388 1.00 65.20 H new ATOM 0 HE1 HIS A -2 -1.691 17.950 -9.615 1.00 51.13 H new ATOM 0 HE2 HIS A -2 -2.106 15.759 -8.384 1.00 3.10 H new ATOM 112 N HIS A -1 -1.222 13.138 -13.667 1.00 44.21 N ATOM 113 CA HIS A -1 -2.261 13.285 -14.646 1.00 60.13 C ATOM 114 C HIS A -1 -3.363 14.190 -14.111 1.00 32.23 C ATOM 115 O HIS A -1 -3.800 15.114 -14.805 1.00 74.11 O ATOM 116 CB HIS A -1 -2.797 11.891 -15.029 1.00 63.13 C ATOM 117 CG HIS A -1 -3.846 11.875 -16.105 1.00 64.14 C ATOM 118 ND1 HIS A -1 -5.158 11.587 -16.025 1.00 52.14 N flip ATOM 119 CD2 HIS A -1 -3.600 12.154 -17.432 1.00 71.41 C flip ATOM 120 CE1 HIS A -1 -5.730 11.680 -17.286 1.00 33.32 C flip ATOM 121 NE2 HIS A -1 -4.747 12.024 -18.098 1.00 54.54 N flip ATOM 0 H HIS A -1 -1.237 12.236 -13.191 1.00 44.21 H new ATOM 0 HA HIS A -1 -1.864 13.757 -15.545 1.00 60.13 H new ATOM 0 HB2 HIS A -1 -1.958 11.275 -15.354 1.00 63.13 H new ATOM 0 HB3 HIS A -1 -3.210 11.422 -14.136 1.00 63.13 H new ATOM 0 HD2 HIS A -1 -2.646 12.429 -17.857 1.00 71.41 H new ATOM 0 HE1 HIS A -1 -6.763 11.507 -17.548 1.00 33.32 H new ATOM 0 HE2 HIS A -1 -4.852 12.171 -19.102 1.00 54.54 H new ATOM 129 N ASN A 60 -3.749 13.961 -12.856 1.00 71.42 N ATOM 130 CA ASN A 60 -4.818 14.751 -12.180 1.00 21.11 C ATOM 131 C ASN A 60 -5.080 14.187 -10.791 1.00 74.55 C ATOM 132 O ASN A 60 -5.625 14.874 -9.934 1.00 75.20 O ATOM 133 CB ASN A 60 -6.167 14.761 -12.981 1.00 22.35 C ATOM 134 CG ASN A 60 -6.969 13.454 -12.911 1.00 33.42 C ATOM 135 OD1 ASN A 60 -7.955 13.407 -12.052 1.00 11.35 O flip ATOM 136 ND2 ASN A 60 -6.734 12.523 -13.668 1.00 74.14 N flip ATOM 0 H ASN A 60 -3.343 13.232 -12.270 1.00 71.42 H new ATOM 0 HA ASN A 60 -4.456 15.778 -12.121 1.00 21.11 H new ATOM 0 HB2 ASN A 60 -6.790 15.573 -12.606 1.00 22.35 H new ATOM 0 HB3 ASN A 60 -5.951 14.982 -14.026 1.00 22.35 H new ATOM 0 HD21 ASN A 60 -5.959 12.586 -14.328 1.00 74.14 H new ATOM 0 HD22 ASN A 60 -7.313 11.684 -13.639 1.00 74.14 H new ATOM 143 N GLN A 61 -4.687 12.919 -10.597 1.00 63.10 N ATOM 144 CA GLN A 61 -4.909 12.167 -9.358 1.00 60.23 C ATOM 145 C GLN A 61 -6.303 11.655 -9.233 1.00 52.33 C ATOM 146 O GLN A 61 -7.258 12.404 -9.026 1.00 14.02 O ATOM 147 CB GLN A 61 -4.441 12.873 -8.081 1.00 43.43 C ATOM 148 CG GLN A 61 -2.953 12.825 -7.907 1.00 45.13 C ATOM 149 CD GLN A 61 -2.455 11.398 -7.790 1.00 53.10 C ATOM 150 OE1 GLN A 61 -2.148 10.752 -8.792 1.00 31.13 O ATOM 151 NE2 GLN A 61 -2.395 10.894 -6.601 1.00 64.31 N ATOM 0 H GLN A 61 -4.197 12.380 -11.311 1.00 63.10 H new ATOM 0 HA GLN A 61 -4.252 11.303 -9.457 1.00 60.23 H new ATOM 0 HB2 GLN A 61 -4.767 13.913 -8.105 1.00 43.43 H new ATOM 0 HB3 GLN A 61 -4.919 12.409 -7.218 1.00 43.43 H new ATOM 0 HG2 GLN A 61 -2.470 13.312 -8.754 1.00 45.13 H new ATOM 0 HG3 GLN A 61 -2.671 13.384 -7.015 1.00 45.13 H new ATOM 0 HE21 GLN A 61 -2.657 11.459 -5.794 1.00 64.31 H new ATOM 0 HE22 GLN A 61 -2.085 9.931 -6.470 1.00 64.31 H new ATOM 160 N GLN A 62 -6.415 10.373 -9.396 1.00 12.45 N ATOM 161 CA GLN A 62 -7.660 9.700 -9.277 1.00 33.21 C ATOM 162 C GLN A 62 -7.755 9.208 -7.868 1.00 44.15 C ATOM 163 O GLN A 62 -6.847 8.539 -7.396 1.00 32.02 O ATOM 164 CB GLN A 62 -7.714 8.534 -10.240 1.00 43.13 C ATOM 165 CG GLN A 62 -7.459 8.930 -11.680 1.00 42.13 C ATOM 166 CD GLN A 62 -7.469 7.750 -12.613 1.00 74.23 C ATOM 167 OE1 GLN A 62 -8.273 6.767 -12.317 1.00 1.20 O flip ATOM 168 NE2 GLN A 62 -6.769 7.740 -13.627 1.00 72.12 N flip ATOM 0 H GLN A 62 -5.630 9.761 -9.618 1.00 12.45 H new ATOM 0 HA GLN A 62 -8.489 10.367 -9.514 1.00 33.21 H new ATOM 0 HB2 GLN A 62 -6.976 7.790 -9.940 1.00 43.13 H new ATOM 0 HB3 GLN A 62 -8.693 8.059 -10.169 1.00 43.13 H new ATOM 0 HG2 GLN A 62 -8.218 9.646 -11.996 1.00 42.13 H new ATOM 0 HG3 GLN A 62 -6.496 9.436 -11.749 1.00 42.13 H new ATOM 0 HE21 GLN A 62 -6.151 8.526 -13.828 1.00 72.12 H new ATOM 0 HE22 GLN A 62 -6.808 6.946 -14.266 1.00 72.12 H new ATOM 177 N ASN A 63 -8.851 9.491 -7.230 1.00 74.51 N ATOM 178 CA ASN A 63 -9.039 9.221 -5.797 1.00 45.01 C ATOM 179 C ASN A 63 -9.026 7.748 -5.445 1.00 2.24 C ATOM 180 O ASN A 63 -8.996 7.384 -4.269 1.00 5.21 O ATOM 181 CB ASN A 63 -10.311 9.877 -5.291 1.00 1.44 C ATOM 182 CG ASN A 63 -10.246 11.382 -5.376 1.00 62.24 C ATOM 183 OD1 ASN A 63 -10.595 11.975 -6.400 1.00 23.02 O ATOM 184 ND2 ASN A 63 -9.789 12.009 -4.338 1.00 25.42 N ATOM 0 H ASN A 63 -9.661 9.921 -7.676 1.00 74.51 H new ATOM 0 HA ASN A 63 -8.177 9.660 -5.294 1.00 45.01 H new ATOM 0 HB2 ASN A 63 -11.160 9.518 -5.873 1.00 1.44 H new ATOM 0 HB3 ASN A 63 -10.485 9.580 -4.257 1.00 1.44 H new ATOM 0 HD21 ASN A 63 -9.709 13.026 -4.351 1.00 25.42 H new ATOM 0 HD22 ASN A 63 -9.510 11.486 -3.508 1.00 25.42 H new ATOM 191 N LYS A 64 -9.086 6.901 -6.443 1.00 32.50 N ATOM 192 CA LYS A 64 -8.997 5.484 -6.216 1.00 70.35 C ATOM 193 C LYS A 64 -7.541 5.110 -5.952 1.00 12.25 C ATOM 194 O LYS A 64 -7.248 4.185 -5.200 1.00 74.53 O ATOM 195 CB LYS A 64 -9.495 4.717 -7.439 1.00 52.01 C ATOM 196 CG LYS A 64 -9.621 3.209 -7.235 1.00 42.32 C ATOM 197 CD LYS A 64 -9.929 2.436 -8.533 1.00 61.41 C ATOM 198 CE LYS A 64 -11.316 2.728 -9.166 1.00 1.34 C ATOM 199 NZ LYS A 64 -11.484 4.107 -9.714 1.00 43.34 N ATOM 0 H LYS A 64 -9.196 7.171 -7.420 1.00 32.50 H new ATOM 0 HA LYS A 64 -9.616 5.224 -5.357 1.00 70.35 H new ATOM 0 HB2 LYS A 64 -10.468 5.114 -7.729 1.00 52.01 H new ATOM 0 HB3 LYS A 64 -8.814 4.902 -8.270 1.00 52.01 H new ATOM 0 HG2 LYS A 64 -8.693 2.830 -6.807 1.00 42.32 H new ATOM 0 HG3 LYS A 64 -10.410 3.013 -6.509 1.00 42.32 H new ATOM 0 HD2 LYS A 64 -9.157 2.668 -9.267 1.00 61.41 H new ATOM 0 HD3 LYS A 64 -9.860 1.368 -8.325 1.00 61.41 H new ATOM 0 HE2 LYS A 64 -11.490 2.011 -9.968 1.00 1.34 H new ATOM 0 HE3 LYS A 64 -12.085 2.557 -8.413 1.00 1.34 H new ATOM 0 HZ1 LYS A 64 -11.996 4.061 -10.618 1.00 43.34 H new ATOM 0 HZ2 LYS A 64 -12.024 4.685 -9.039 1.00 43.34 H new ATOM 0 HZ3 LYS A 64 -10.549 4.536 -9.867 1.00 43.34 H new ATOM 213 N LYS A 65 -6.626 5.866 -6.524 1.00 15.13 N ATOM 214 CA LYS A 65 -5.248 5.514 -6.440 1.00 61.03 C ATOM 215 C LYS A 65 -4.487 6.223 -5.329 1.00 63.53 C ATOM 216 O LYS A 65 -3.761 7.165 -5.538 1.00 13.12 O ATOM 217 CB LYS A 65 -4.538 5.481 -7.835 1.00 52.10 C ATOM 218 CG LYS A 65 -4.549 6.766 -8.657 1.00 21.34 C ATOM 219 CD LYS A 65 -3.426 7.714 -8.283 1.00 51.41 C ATOM 220 CE LYS A 65 -2.059 7.183 -8.696 1.00 53.41 C ATOM 221 NZ LYS A 65 -1.043 8.240 -8.669 1.00 5.13 N ATOM 0 H LYS A 65 -6.823 6.720 -7.046 1.00 15.13 H new ATOM 0 HA LYS A 65 -5.227 4.475 -6.110 1.00 61.03 H new ATOM 0 HB2 LYS A 65 -3.499 5.190 -7.678 1.00 52.10 H new ATOM 0 HB3 LYS A 65 -5.002 4.695 -8.431 1.00 52.10 H new ATOM 0 HG2 LYS A 65 -4.469 6.516 -9.715 1.00 21.34 H new ATOM 0 HG3 LYS A 65 -5.505 7.271 -8.520 1.00 21.34 H new ATOM 0 HD2 LYS A 65 -3.596 8.680 -8.757 1.00 51.41 H new ATOM 0 HD3 LYS A 65 -3.438 7.881 -7.206 1.00 51.41 H new ATOM 0 HE2 LYS A 65 -1.763 6.375 -8.026 1.00 53.41 H new ATOM 0 HE3 LYS A 65 -2.119 6.760 -9.699 1.00 53.41 H new ATOM 0 HZ1 LYS A 65 -0.280 8.005 -9.336 1.00 5.13 H new ATOM 0 HZ2 LYS A 65 -1.476 9.145 -8.943 1.00 5.13 H new ATOM 0 HZ3 LYS A 65 -0.651 8.320 -7.709 1.00 5.13 H new ATOM 235 N VAL A 66 -4.749 5.785 -4.140 1.00 2.04 N ATOM 236 CA VAL A 66 -4.023 6.201 -2.966 1.00 72.15 C ATOM 237 C VAL A 66 -4.266 7.661 -2.516 1.00 15.44 C ATOM 238 O VAL A 66 -3.885 8.650 -3.174 1.00 44.32 O ATOM 239 CB VAL A 66 -2.511 5.778 -3.038 1.00 63.21 C ATOM 240 CG1 VAL A 66 -1.510 6.935 -3.078 1.00 51.35 C ATOM 241 CG2 VAL A 66 -2.227 4.871 -1.897 1.00 12.20 C ATOM 0 H VAL A 66 -5.490 5.112 -3.945 1.00 2.04 H new ATOM 0 HA VAL A 66 -4.460 5.641 -2.140 1.00 72.15 H new ATOM 0 HB VAL A 66 -2.369 5.275 -3.995 1.00 63.21 H new ATOM 0 HG11 VAL A 66 -0.496 6.538 -3.127 1.00 51.35 H new ATOM 0 HG12 VAL A 66 -1.701 7.551 -3.957 1.00 51.35 H new ATOM 0 HG13 VAL A 66 -1.619 7.542 -2.179 1.00 51.35 H new ATOM 0 HG21 VAL A 66 -1.181 4.565 -1.927 1.00 12.20 H new ATOM 0 HG22 VAL A 66 -2.425 5.392 -0.960 1.00 12.20 H new ATOM 0 HG23 VAL A 66 -2.865 3.990 -1.965 1.00 12.20 H new ATOM 251 N GLU A 67 -4.949 7.783 -1.411 1.00 15.32 N ATOM 252 CA GLU A 67 -5.242 9.075 -0.865 1.00 63.34 C ATOM 253 C GLU A 67 -4.249 9.451 0.209 1.00 72.15 C ATOM 254 O GLU A 67 -3.315 10.203 -0.047 1.00 15.03 O ATOM 255 CB GLU A 67 -6.660 9.095 -0.358 1.00 34.35 C ATOM 256 CG GLU A 67 -7.646 8.829 -1.453 1.00 51.33 C ATOM 257 CD GLU A 67 -7.883 10.052 -2.315 1.00 71.33 C ATOM 258 OE1 GLU A 67 -7.047 10.384 -3.168 1.00 54.33 O ATOM 259 OE2 GLU A 67 -8.929 10.721 -2.129 1.00 53.34 O ATOM 0 H GLU A 67 -5.313 6.998 -0.871 1.00 15.32 H new ATOM 0 HA GLU A 67 -5.148 9.827 -1.649 1.00 63.34 H new ATOM 0 HB2 GLU A 67 -6.776 8.346 0.426 1.00 34.35 H new ATOM 0 HB3 GLU A 67 -6.871 10.064 0.093 1.00 34.35 H new ATOM 0 HG2 GLU A 67 -7.283 8.011 -2.076 1.00 51.33 H new ATOM 0 HG3 GLU A 67 -8.591 8.504 -1.018 1.00 51.33 H new ATOM 266 N GLY A 68 -4.434 8.936 1.394 1.00 34.43 N ATOM 267 CA GLY A 68 -3.504 9.232 2.443 1.00 70.22 C ATOM 268 C GLY A 68 -3.183 8.036 3.287 1.00 24.14 C ATOM 269 O GLY A 68 -2.273 8.078 4.112 1.00 21.11 O ATOM 0 H GLY A 68 -5.206 8.321 1.652 1.00 34.43 H new ATOM 0 HA2 GLY A 68 -2.584 9.622 2.008 1.00 70.22 H new ATOM 0 HA3 GLY A 68 -3.915 10.018 3.076 1.00 70.22 H new ATOM 273 N GLY A 69 -3.897 6.963 3.079 1.00 40.20 N ATOM 274 CA GLY A 69 -3.665 5.798 3.859 1.00 33.41 C ATOM 275 C GLY A 69 -2.951 4.709 3.129 1.00 64.03 C ATOM 276 O GLY A 69 -2.335 4.934 2.107 1.00 54.25 O ATOM 0 H GLY A 69 -4.636 6.880 2.381 1.00 40.20 H new ATOM 0 HA2 GLY A 69 -3.084 6.073 4.739 1.00 33.41 H new ATOM 0 HA3 GLY A 69 -4.622 5.416 4.215 1.00 33.41 H new ATOM 280 N TYR A 70 -3.084 3.525 3.609 1.00 64.34 N ATOM 281 CA TYR A 70 -2.382 2.402 3.063 1.00 53.51 C ATOM 282 C TYR A 70 -3.333 1.580 2.236 1.00 54.53 C ATOM 283 O TYR A 70 -4.311 1.028 2.753 1.00 41.31 O ATOM 284 CB TYR A 70 -1.768 1.570 4.197 1.00 31.34 C ATOM 285 CG TYR A 70 -1.056 2.422 5.236 1.00 3.54 C ATOM 286 CD1 TYR A 70 -0.040 3.305 4.874 1.00 75.04 C ATOM 287 CD2 TYR A 70 -1.447 2.392 6.570 1.00 5.30 C ATOM 288 CE1 TYR A 70 0.568 4.117 5.810 1.00 43.31 C ATOM 289 CE2 TYR A 70 -0.854 3.208 7.505 1.00 43.13 C ATOM 290 CZ TYR A 70 0.154 4.067 7.124 1.00 20.35 C ATOM 291 OH TYR A 70 0.735 4.894 8.059 1.00 44.21 O ATOM 0 H TYR A 70 -3.687 3.298 4.400 1.00 64.34 H new ATOM 0 HA TYR A 70 -1.570 2.744 2.421 1.00 53.51 H new ATOM 0 HB2 TYR A 70 -2.554 0.993 4.684 1.00 31.34 H new ATOM 0 HB3 TYR A 70 -1.062 0.855 3.775 1.00 31.34 H new ATOM 0 HD1 TYR A 70 0.277 3.355 3.843 1.00 75.04 H new ATOM 0 HD2 TYR A 70 -2.231 1.716 6.878 1.00 5.30 H new ATOM 0 HE1 TYR A 70 1.362 4.787 5.515 1.00 43.31 H new ATOM 0 HE2 TYR A 70 -1.177 3.176 8.535 1.00 43.13 H new ATOM 0 HH TYR A 70 0.328 4.733 8.936 1.00 44.21 H new ATOM 301 N GLU A 71 -3.100 1.583 0.950 1.00 53.30 N ATOM 302 CA GLU A 71 -3.889 0.822 0.027 1.00 25.40 C ATOM 303 C GLU A 71 -3.246 -0.523 -0.179 1.00 21.03 C ATOM 304 O GLU A 71 -2.125 -0.593 -0.641 1.00 21.14 O ATOM 305 CB GLU A 71 -3.992 1.516 -1.334 1.00 44.24 C ATOM 306 CG GLU A 71 -4.702 0.644 -2.351 1.00 2.01 C ATOM 307 CD GLU A 71 -4.612 1.117 -3.768 1.00 53.41 C ATOM 308 OE1 GLU A 71 -3.521 1.518 -4.216 1.00 23.33 O ATOM 309 OE2 GLU A 71 -5.628 0.980 -4.497 1.00 62.34 O ATOM 0 H GLU A 71 -2.350 2.119 0.513 1.00 53.30 H new ATOM 0 HA GLU A 71 -4.890 0.722 0.447 1.00 25.40 H new ATOM 0 HB2 GLU A 71 -4.529 2.458 -1.223 1.00 44.24 H new ATOM 0 HB3 GLU A 71 -2.993 1.759 -1.696 1.00 44.24 H new ATOM 0 HG2 GLU A 71 -4.289 -0.363 -2.294 1.00 2.01 H new ATOM 0 HG3 GLU A 71 -5.754 0.573 -2.074 1.00 2.01 H new ATOM 316 N CYS A 72 -3.950 -1.566 0.170 1.00 73.13 N ATOM 317 CA CYS A 72 -3.463 -2.907 -0.053 1.00 51.20 C ATOM 318 C CYS A 72 -3.445 -3.245 -1.554 1.00 0.13 C ATOM 319 O CYS A 72 -4.219 -2.694 -2.355 1.00 53.02 O ATOM 320 CB CYS A 72 -4.371 -3.919 0.615 1.00 34.31 C ATOM 321 SG CYS A 72 -4.793 -3.611 2.356 1.00 44.30 S ATOM 0 H CYS A 72 -4.868 -1.516 0.612 1.00 73.13 H new ATOM 0 HA CYS A 72 -2.456 -2.952 0.361 1.00 51.20 H new ATOM 0 HB2 CYS A 72 -5.298 -3.973 0.044 1.00 34.31 H new ATOM 0 HB3 CYS A 72 -3.897 -4.898 0.548 1.00 34.31 H new ATOM 0 HG CYS A 72 -5.981 -4.078 2.604 1.00 44.30 H new ATOM 326 N LYS A 73 -2.570 -4.138 -1.917 1.00 72.13 N ATOM 327 CA LYS A 73 -2.535 -4.685 -3.248 1.00 32.43 C ATOM 328 C LYS A 73 -3.682 -5.681 -3.412 1.00 71.05 C ATOM 329 O LYS A 73 -4.262 -5.810 -4.484 1.00 43.21 O ATOM 330 CB LYS A 73 -1.136 -5.345 -3.510 1.00 64.41 C ATOM 331 CG LYS A 73 -0.966 -6.092 -4.851 1.00 30.23 C ATOM 332 CD LYS A 73 -1.504 -7.520 -4.781 1.00 75.24 C ATOM 333 CE LYS A 73 -1.565 -8.195 -6.151 1.00 32.44 C ATOM 334 NZ LYS A 73 -0.239 -8.389 -6.758 1.00 43.31 N ATOM 0 H LYS A 73 -1.854 -4.512 -1.294 1.00 72.13 H new ATOM 0 HA LYS A 73 -2.668 -3.896 -3.989 1.00 32.43 H new ATOM 0 HB2 LYS A 73 -0.376 -4.566 -3.455 1.00 64.41 H new ATOM 0 HB3 LYS A 73 -0.933 -6.046 -2.701 1.00 64.41 H new ATOM 0 HG2 LYS A 73 -1.486 -5.547 -5.639 1.00 30.23 H new ATOM 0 HG3 LYS A 73 0.089 -6.115 -5.122 1.00 30.23 H new ATOM 0 HD2 LYS A 73 -0.872 -8.110 -4.118 1.00 75.24 H new ATOM 0 HD3 LYS A 73 -2.502 -7.507 -4.342 1.00 75.24 H new ATOM 0 HE2 LYS A 73 -2.057 -9.162 -6.051 1.00 32.44 H new ATOM 0 HE3 LYS A 73 -2.179 -7.592 -6.820 1.00 32.44 H new ATOM 0 HZ1 LYS A 73 -0.348 -8.592 -7.772 1.00 43.31 H new ATOM 0 HZ2 LYS A 73 0.328 -7.526 -6.637 1.00 43.31 H new ATOM 0 HZ3 LYS A 73 0.241 -9.187 -6.295 1.00 43.31 H new ATOM 348 N TYR A 74 -4.061 -6.296 -2.314 1.00 24.53 N ATOM 349 CA TYR A 74 -4.984 -7.407 -2.349 1.00 2.55 C ATOM 350 C TYR A 74 -6.407 -6.997 -2.020 1.00 23.42 C ATOM 351 O TYR A 74 -7.294 -7.832 -1.968 1.00 34.02 O ATOM 352 CB TYR A 74 -4.509 -8.547 -1.430 1.00 45.33 C ATOM 353 CG TYR A 74 -3.219 -8.270 -0.661 1.00 24.13 C ATOM 354 CD1 TYR A 74 -1.972 -8.489 -1.232 1.00 0.15 C ATOM 355 CD2 TYR A 74 -3.257 -7.817 0.642 1.00 44.33 C ATOM 356 CE1 TYR A 74 -0.814 -8.263 -0.514 1.00 34.34 C ATOM 357 CE2 TYR A 74 -2.118 -7.588 1.359 1.00 51.12 C ATOM 358 CZ TYR A 74 -0.899 -7.812 0.789 1.00 42.34 C ATOM 359 OH TYR A 74 0.243 -7.593 1.531 1.00 4.54 O ATOM 0 H TYR A 74 -3.741 -6.043 -1.379 1.00 24.53 H new ATOM 0 HA TYR A 74 -4.995 -7.773 -3.376 1.00 2.55 H new ATOM 0 HB2 TYR A 74 -5.300 -8.767 -0.713 1.00 45.33 H new ATOM 0 HB3 TYR A 74 -4.367 -9.443 -2.034 1.00 45.33 H new ATOM 0 HD1 TYR A 74 -1.907 -8.841 -2.251 1.00 0.15 H new ATOM 0 HD2 TYR A 74 -4.215 -7.639 1.108 1.00 44.33 H new ATOM 0 HE1 TYR A 74 0.150 -8.437 -0.968 1.00 34.34 H new ATOM 0 HE2 TYR A 74 -2.182 -7.230 2.376 1.00 51.12 H new ATOM 0 HH TYR A 74 -0.004 -7.276 2.425 1.00 4.54 H new ATOM 369 N CYS A 75 -6.628 -5.722 -1.814 1.00 64.35 N ATOM 370 CA CYS A 75 -7.960 -5.243 -1.567 1.00 2.31 C ATOM 371 C CYS A 75 -8.019 -3.779 -1.923 1.00 21.52 C ATOM 372 O CYS A 75 -6.989 -3.105 -1.937 1.00 23.21 O ATOM 373 CB CYS A 75 -8.397 -5.492 -0.096 1.00 71.43 C ATOM 374 SG CYS A 75 -7.529 -4.503 1.208 1.00 62.25 S ATOM 0 H CYS A 75 -5.905 -5.003 -1.813 1.00 64.35 H new ATOM 0 HA CYS A 75 -8.663 -5.796 -2.190 1.00 2.31 H new ATOM 0 HB2 CYS A 75 -9.466 -5.292 -0.020 1.00 71.43 H new ATOM 0 HB3 CYS A 75 -8.254 -6.549 0.127 1.00 71.43 H new ATOM 0 HG CYS A 75 -7.184 -5.285 2.188 1.00 62.25 H new ATOM 379 N THR A 76 -9.176 -3.289 -2.228 1.00 11.21 N ATOM 380 CA THR A 76 -9.340 -1.899 -2.568 1.00 30.24 C ATOM 381 C THR A 76 -9.667 -1.084 -1.296 1.00 25.22 C ATOM 382 O THR A 76 -9.883 0.121 -1.330 1.00 43.12 O ATOM 383 CB THR A 76 -10.414 -1.761 -3.688 1.00 33.44 C ATOM 384 OG1 THR A 76 -10.034 -2.651 -4.754 1.00 64.42 O ATOM 385 CG2 THR A 76 -10.468 -0.344 -4.261 1.00 72.12 C ATOM 0 H THR A 76 -10.038 -3.834 -2.251 1.00 11.21 H new ATOM 0 HA THR A 76 -8.413 -1.488 -2.968 1.00 30.24 H new ATOM 0 HB THR A 76 -11.391 -1.995 -3.266 1.00 33.44 H new ATOM 0 HG1 THR A 76 -10.691 -2.592 -5.479 1.00 64.42 H new ATOM 0 HG21 THR A 76 -11.230 -0.295 -5.038 1.00 72.12 H new ATOM 0 HG22 THR A 76 -10.714 0.361 -3.466 1.00 72.12 H new ATOM 0 HG23 THR A 76 -9.498 -0.087 -4.687 1.00 72.12 H new ATOM 393 N PHE A 77 -9.629 -1.759 -0.161 1.00 74.31 N ATOM 394 CA PHE A 77 -9.853 -1.105 1.092 1.00 31.34 C ATOM 395 C PHE A 77 -8.541 -0.501 1.585 1.00 51.23 C ATOM 396 O PHE A 77 -7.560 -1.233 1.879 1.00 50.31 O ATOM 397 CB PHE A 77 -10.431 -2.079 2.137 1.00 52.51 C ATOM 398 CG PHE A 77 -10.845 -1.407 3.428 1.00 55.22 C ATOM 399 CD1 PHE A 77 -9.941 -1.235 4.466 1.00 4.25 C ATOM 400 CD2 PHE A 77 -12.138 -0.938 3.593 1.00 60.34 C ATOM 401 CE1 PHE A 77 -10.318 -0.613 5.638 1.00 54.21 C ATOM 402 CE2 PHE A 77 -12.520 -0.315 4.764 1.00 22.22 C ATOM 403 CZ PHE A 77 -11.609 -0.153 5.789 1.00 55.45 C ATOM 0 H PHE A 77 -9.444 -2.760 -0.093 1.00 74.31 H new ATOM 0 HA PHE A 77 -10.587 -0.312 0.948 1.00 31.34 H new ATOM 0 HB2 PHE A 77 -11.295 -2.588 1.709 1.00 52.51 H new ATOM 0 HB3 PHE A 77 -9.687 -2.845 2.358 1.00 52.51 H new ATOM 0 HD1 PHE A 77 -8.928 -1.593 4.355 1.00 4.25 H new ATOM 0 HD2 PHE A 77 -12.856 -1.061 2.796 1.00 60.34 H new ATOM 0 HE1 PHE A 77 -9.602 -0.486 6.437 1.00 54.21 H new ATOM 0 HE2 PHE A 77 -13.531 0.046 4.879 1.00 22.22 H new ATOM 0 HZ PHE A 77 -11.907 0.333 6.706 1.00 55.45 H new ATOM 413 N GLN A 78 -8.523 0.799 1.646 1.00 54.10 N ATOM 414 CA GLN A 78 -7.407 1.566 2.123 1.00 42.33 C ATOM 415 C GLN A 78 -7.747 2.181 3.461 1.00 25.43 C ATOM 416 O GLN A 78 -8.882 2.600 3.692 1.00 44.12 O ATOM 417 CB GLN A 78 -7.022 2.673 1.102 1.00 10.10 C ATOM 418 CG GLN A 78 -6.310 3.878 1.717 1.00 14.24 C ATOM 419 CD GLN A 78 -5.761 4.877 0.723 1.00 63.15 C ATOM 420 OE1 GLN A 78 -6.429 5.788 0.279 1.00 21.34 O ATOM 421 NE2 GLN A 78 -4.511 4.764 0.468 1.00 21.13 N ATOM 0 H GLN A 78 -9.313 1.375 1.355 1.00 54.10 H new ATOM 0 HA GLN A 78 -6.551 0.902 2.241 1.00 42.33 H new ATOM 0 HB2 GLN A 78 -6.379 2.237 0.337 1.00 10.10 H new ATOM 0 HB3 GLN A 78 -7.926 3.018 0.600 1.00 10.10 H new ATOM 0 HG2 GLN A 78 -7.007 4.393 2.379 1.00 14.24 H new ATOM 0 HG3 GLN A 78 -5.489 3.518 2.337 1.00 14.24 H new ATOM 0 HE21 GLN A 78 -3.979 3.986 0.858 1.00 21.13 H new ATOM 0 HE22 GLN A 78 -4.047 5.452 -0.125 1.00 21.13 H new ATOM 430 N THR A 79 -6.781 2.206 4.329 1.00 72.33 N ATOM 431 CA THR A 79 -6.932 2.834 5.597 1.00 50.44 C ATOM 432 C THR A 79 -5.601 3.447 6.002 1.00 20.53 C ATOM 433 O THR A 79 -4.551 2.848 5.799 1.00 43.30 O ATOM 434 CB THR A 79 -7.462 1.867 6.705 1.00 13.51 C ATOM 435 OG1 THR A 79 -7.613 2.578 7.940 1.00 22.32 O ATOM 436 CG2 THR A 79 -6.521 0.698 6.925 1.00 61.14 C ATOM 0 H THR A 79 -5.864 1.788 4.172 1.00 72.33 H new ATOM 0 HA THR A 79 -7.691 3.610 5.498 1.00 50.44 H new ATOM 0 HB THR A 79 -8.424 1.480 6.369 1.00 13.51 H new ATOM 0 HG1 THR A 79 -8.226 2.088 8.527 1.00 22.32 H new ATOM 0 HG21 THR A 79 -6.923 0.048 7.702 1.00 61.14 H new ATOM 0 HG22 THR A 79 -6.418 0.134 5.998 1.00 61.14 H new ATOM 0 HG23 THR A 79 -5.544 1.070 7.233 1.00 61.14 H new ATOM 444 N PRO A 80 -5.613 4.697 6.451 1.00 51.41 N ATOM 445 CA PRO A 80 -4.416 5.377 6.965 1.00 0.12 C ATOM 446 C PRO A 80 -4.002 4.894 8.339 1.00 13.21 C ATOM 447 O PRO A 80 -2.994 5.338 8.884 1.00 72.24 O ATOM 448 CB PRO A 80 -4.836 6.841 7.014 1.00 45.02 C ATOM 449 CG PRO A 80 -6.310 6.793 7.183 1.00 54.53 C ATOM 450 CD PRO A 80 -6.773 5.604 6.396 1.00 33.01 C ATOM 0 HA PRO A 80 -3.546 5.186 6.337 1.00 0.12 H new ATOM 0 HB2 PRO A 80 -4.357 7.365 7.841 1.00 45.02 H new ATOM 0 HB3 PRO A 80 -4.557 7.366 6.100 1.00 45.02 H new ATOM 0 HG2 PRO A 80 -6.580 6.695 8.234 1.00 54.53 H new ATOM 0 HG3 PRO A 80 -6.775 7.709 6.818 1.00 54.53 H new ATOM 0 HD2 PRO A 80 -7.661 5.150 6.836 1.00 33.01 H new ATOM 0 HD3 PRO A 80 -7.027 5.873 5.371 1.00 33.01 H new ATOM 458 N ASP A 81 -4.760 3.992 8.889 1.00 52.01 N ATOM 459 CA ASP A 81 -4.462 3.461 10.183 1.00 40.21 C ATOM 460 C ASP A 81 -3.674 2.221 9.991 1.00 73.21 C ATOM 461 O ASP A 81 -4.145 1.309 9.334 1.00 73.24 O ATOM 462 CB ASP A 81 -5.710 3.066 10.881 1.00 32.44 C ATOM 463 CG ASP A 81 -5.552 3.083 12.364 1.00 1.43 C ATOM 464 OD1 ASP A 81 -5.106 2.080 12.921 1.00 23.01 O ATOM 465 OD2 ASP A 81 -5.876 4.109 13.003 1.00 71.11 O ATOM 0 H ASP A 81 -5.598 3.606 8.454 1.00 52.01 H new ATOM 0 HA ASP A 81 -3.929 4.214 10.763 1.00 40.21 H new ATOM 0 HB2 ASP A 81 -6.515 3.743 10.595 1.00 32.44 H new ATOM 0 HB3 ASP A 81 -6.004 2.067 10.559 1.00 32.44 H new ATOM 470 N LEU A 82 -2.497 2.174 10.525 1.00 13.40 N ATOM 471 CA LEU A 82 -1.668 1.016 10.411 1.00 2.11 C ATOM 472 C LEU A 82 -2.330 -0.154 11.124 1.00 4.54 C ATOM 473 O LEU A 82 -2.345 -1.258 10.598 1.00 22.24 O ATOM 474 CB LEU A 82 -0.282 1.291 11.008 1.00 20.12 C ATOM 475 CG LEU A 82 0.916 0.514 10.417 1.00 34.30 C ATOM 476 CD1 LEU A 82 0.687 -0.977 10.432 1.00 2.12 C ATOM 477 CD2 LEU A 82 1.193 0.987 9.018 1.00 53.13 C ATOM 0 H LEU A 82 -2.081 2.940 11.055 1.00 13.40 H new ATOM 0 HA LEU A 82 -1.542 0.768 9.357 1.00 2.11 H new ATOM 0 HB2 LEU A 82 -0.076 2.356 10.904 1.00 20.12 H new ATOM 0 HB3 LEU A 82 -0.327 1.078 12.076 1.00 20.12 H new ATOM 0 HG LEU A 82 1.783 0.713 11.046 1.00 34.30 H new ATOM 0 HD11 LEU A 82 1.554 -1.483 10.007 1.00 2.12 H new ATOM 0 HD12 LEU A 82 0.538 -1.312 11.459 1.00 2.12 H new ATOM 0 HD13 LEU A 82 -0.197 -1.215 9.841 1.00 2.12 H new ATOM 0 HD21 LEU A 82 2.039 0.435 8.608 1.00 53.13 H new ATOM 0 HD22 LEU A 82 0.314 0.819 8.396 1.00 53.13 H new ATOM 0 HD23 LEU A 82 1.428 2.051 9.034 1.00 53.13 H new ATOM 489 N ASN A 83 -2.934 0.104 12.281 1.00 42.22 N ATOM 490 CA ASN A 83 -3.547 -0.945 13.047 1.00 51.31 C ATOM 491 C ASN A 83 -4.661 -1.528 12.258 1.00 3.30 C ATOM 492 O ASN A 83 -4.739 -2.715 12.101 1.00 41.41 O ATOM 493 CB ASN A 83 -4.108 -0.410 14.334 1.00 50.24 C ATOM 494 CG ASN A 83 -4.744 -1.480 15.185 1.00 43.22 C ATOM 495 OD1 ASN A 83 -4.089 -2.105 16.008 1.00 45.43 O ATOM 496 ND2 ASN A 83 -6.013 -1.690 15.004 1.00 71.11 N ATOM 0 H ASN A 83 -3.005 1.033 12.697 1.00 42.22 H new ATOM 0 HA ASN A 83 -2.791 -1.697 13.273 1.00 51.31 H new ATOM 0 HB2 ASN A 83 -3.311 0.071 14.900 1.00 50.24 H new ATOM 0 HB3 ASN A 83 -4.849 0.358 14.111 1.00 50.24 H new ATOM 0 HD21 ASN A 83 -6.497 -2.396 15.558 1.00 71.11 H new ATOM 0 HD22 ASN A 83 -6.525 -1.148 14.308 1.00 71.11 H new ATOM 503 N MET A 84 -5.490 -0.666 11.703 1.00 41.51 N ATOM 504 CA MET A 84 -6.639 -1.124 10.934 1.00 74.31 C ATOM 505 C MET A 84 -6.169 -1.783 9.676 1.00 52.23 C ATOM 506 O MET A 84 -6.770 -2.753 9.207 1.00 21.51 O ATOM 507 CB MET A 84 -7.608 0.001 10.604 1.00 12.12 C ATOM 508 CG MET A 84 -8.091 0.757 11.818 1.00 74.40 C ATOM 509 SD MET A 84 -8.898 -0.295 13.054 1.00 33.33 S ATOM 510 CE MET A 84 -10.317 -0.892 12.129 1.00 22.32 C ATOM 0 H MET A 84 -5.394 0.348 11.767 1.00 41.51 H new ATOM 0 HA MET A 84 -7.182 -1.839 11.552 1.00 74.31 H new ATOM 0 HB2 MET A 84 -7.123 0.698 9.921 1.00 12.12 H new ATOM 0 HB3 MET A 84 -8.468 -0.414 10.078 1.00 12.12 H new ATOM 0 HG2 MET A 84 -7.244 1.263 12.281 1.00 74.40 H new ATOM 0 HG3 MET A 84 -8.790 1.531 11.500 1.00 74.40 H new ATOM 0 HE1 MET A 84 -11.027 -1.359 12.812 1.00 22.32 H new ATOM 0 HE2 MET A 84 -10.798 -0.056 11.621 1.00 22.32 H new ATOM 0 HE3 MET A 84 -9.989 -1.624 11.391 1.00 22.32 H new ATOM 520 N PHE A 85 -5.079 -1.268 9.132 1.00 75.41 N ATOM 521 CA PHE A 85 -4.479 -1.857 7.955 1.00 11.03 C ATOM 522 C PHE A 85 -4.032 -3.286 8.228 1.00 62.44 C ATOM 523 O PHE A 85 -4.516 -4.209 7.590 1.00 4.34 O ATOM 524 CB PHE A 85 -3.295 -1.001 7.461 1.00 12.34 C ATOM 525 CG PHE A 85 -2.494 -1.631 6.350 1.00 3.10 C ATOM 526 CD1 PHE A 85 -2.949 -1.622 5.035 1.00 54.40 C ATOM 527 CD2 PHE A 85 -1.283 -2.246 6.630 1.00 64.31 C ATOM 528 CE1 PHE A 85 -2.207 -2.211 4.030 1.00 21.15 C ATOM 529 CE2 PHE A 85 -0.543 -2.837 5.625 1.00 20.10 C ATOM 530 CZ PHE A 85 -1.005 -2.820 4.325 1.00 52.30 C ATOM 0 H PHE A 85 -4.595 -0.444 9.489 1.00 75.41 H new ATOM 0 HA PHE A 85 -5.234 -1.884 7.169 1.00 11.03 H new ATOM 0 HB2 PHE A 85 -3.676 -0.039 7.118 1.00 12.34 H new ATOM 0 HB3 PHE A 85 -2.632 -0.800 8.302 1.00 12.34 H new ATOM 0 HD1 PHE A 85 -3.891 -1.150 4.798 1.00 54.40 H new ATOM 0 HD2 PHE A 85 -0.915 -2.263 7.645 1.00 64.31 H new ATOM 0 HE1 PHE A 85 -2.568 -2.195 3.012 1.00 21.15 H new ATOM 0 HE2 PHE A 85 0.398 -3.313 5.857 1.00 20.10 H new ATOM 0 HZ PHE A 85 -0.426 -3.283 3.539 1.00 52.30 H new ATOM 540 N THR A 86 -3.213 -3.469 9.240 1.00 31.33 N ATOM 541 CA THR A 86 -2.662 -4.780 9.537 1.00 61.02 C ATOM 542 C THR A 86 -3.730 -5.699 10.152 1.00 33.32 C ATOM 543 O THR A 86 -3.679 -6.925 9.991 1.00 62.44 O ATOM 544 CB THR A 86 -1.354 -4.708 10.403 1.00 5.22 C ATOM 545 OG1 THR A 86 -0.776 -6.011 10.595 1.00 71.54 O ATOM 546 CG2 THR A 86 -1.607 -4.070 11.751 1.00 70.14 C ATOM 0 H THR A 86 -2.912 -2.729 9.873 1.00 31.33 H new ATOM 0 HA THR A 86 -2.356 -5.224 8.590 1.00 61.02 H new ATOM 0 HB THR A 86 -0.652 -4.086 9.848 1.00 5.22 H new ATOM 0 HG1 THR A 86 0.037 -5.932 11.136 1.00 71.54 H new ATOM 0 HG21 THR A 86 -0.677 -4.039 12.319 1.00 70.14 H new ATOM 0 HG22 THR A 86 -1.979 -3.055 11.609 1.00 70.14 H new ATOM 0 HG23 THR A 86 -2.347 -4.655 12.297 1.00 70.14 H new ATOM 554 N PHE A 87 -4.720 -5.094 10.799 1.00 50.44 N ATOM 555 CA PHE A 87 -5.838 -5.821 11.352 1.00 62.21 C ATOM 556 C PHE A 87 -6.658 -6.425 10.237 1.00 34.41 C ATOM 557 O PHE A 87 -6.943 -7.621 10.246 1.00 2.25 O ATOM 558 CB PHE A 87 -6.706 -4.917 12.255 1.00 55.42 C ATOM 559 CG PHE A 87 -8.055 -5.491 12.606 1.00 11.02 C ATOM 560 CD1 PHE A 87 -8.173 -6.754 13.172 1.00 33.41 C ATOM 561 CD2 PHE A 87 -9.204 -4.766 12.358 1.00 71.15 C ATOM 562 CE1 PHE A 87 -9.412 -7.276 13.486 1.00 32.33 C ATOM 563 CE2 PHE A 87 -10.447 -5.280 12.672 1.00 41.13 C ATOM 564 CZ PHE A 87 -10.550 -6.535 13.240 1.00 33.11 C ATOM 0 H PHE A 87 -4.763 -4.086 10.951 1.00 50.44 H new ATOM 0 HA PHE A 87 -5.452 -6.625 11.979 1.00 62.21 H new ATOM 0 HB2 PHE A 87 -6.160 -4.715 13.177 1.00 55.42 H new ATOM 0 HB3 PHE A 87 -6.852 -3.959 11.755 1.00 55.42 H new ATOM 0 HD1 PHE A 87 -7.284 -7.335 13.369 1.00 33.41 H new ATOM 0 HD2 PHE A 87 -9.130 -3.785 11.913 1.00 71.15 H new ATOM 0 HE1 PHE A 87 -9.490 -8.261 13.923 1.00 32.33 H new ATOM 0 HE2 PHE A 87 -11.337 -4.701 12.474 1.00 41.13 H new ATOM 0 HZ PHE A 87 -11.521 -6.936 13.491 1.00 33.11 H new ATOM 574 N HIS A 88 -7.007 -5.615 9.250 1.00 12.14 N ATOM 575 CA HIS A 88 -7.778 -6.119 8.149 1.00 50.24 C ATOM 576 C HIS A 88 -6.930 -7.060 7.309 1.00 15.03 C ATOM 577 O HIS A 88 -7.451 -7.911 6.622 1.00 31.15 O ATOM 578 CB HIS A 88 -8.543 -5.036 7.344 1.00 73.12 C ATOM 579 CG HIS A 88 -7.826 -4.353 6.220 1.00 2.00 C ATOM 580 ND1 HIS A 88 -7.253 -3.112 6.313 1.00 54.35 N ATOM 581 CD2 HIS A 88 -7.671 -4.750 4.937 1.00 3.11 C ATOM 582 CE1 HIS A 88 -6.774 -2.779 5.121 1.00 55.41 C ATOM 583 NE2 HIS A 88 -7.005 -3.763 4.218 1.00 22.13 N ATOM 0 H HIS A 88 -6.769 -4.625 9.197 1.00 12.14 H new ATOM 0 HA HIS A 88 -8.598 -6.705 8.564 1.00 50.24 H new ATOM 0 HB2 HIS A 88 -9.441 -5.498 6.934 1.00 73.12 H new ATOM 0 HB3 HIS A 88 -8.871 -4.269 8.045 1.00 73.12 H new ATOM 0 HD1 HIS A 88 -7.203 -2.540 7.156 1.00 54.35 H new ATOM 0 HD2 HIS A 88 -8.013 -5.691 4.532 1.00 3.11 H new ATOM 0 HE1 HIS A 88 -6.269 -1.850 4.900 1.00 55.41 H new ATOM 591 N VAL A 89 -5.612 -6.851 7.332 1.00 12.11 N ATOM 592 CA VAL A 89 -4.690 -7.775 6.699 1.00 44.02 C ATOM 593 C VAL A 89 -4.875 -9.134 7.324 1.00 31.10 C ATOM 594 O VAL A 89 -5.313 -10.033 6.674 1.00 33.25 O ATOM 595 CB VAL A 89 -3.181 -7.357 6.825 1.00 72.34 C ATOM 596 CG1 VAL A 89 -2.272 -8.484 6.361 1.00 51.00 C ATOM 597 CG2 VAL A 89 -2.857 -6.128 6.002 1.00 33.45 C ATOM 0 H VAL A 89 -5.168 -6.051 7.782 1.00 12.11 H new ATOM 0 HA VAL A 89 -4.921 -7.777 5.634 1.00 44.02 H new ATOM 0 HB VAL A 89 -3.012 -7.135 7.879 1.00 72.34 H new ATOM 0 HG11 VAL A 89 -1.231 -8.175 6.456 1.00 51.00 H new ATOM 0 HG12 VAL A 89 -2.445 -9.368 6.975 1.00 51.00 H new ATOM 0 HG13 VAL A 89 -2.487 -8.719 5.319 1.00 51.00 H new ATOM 0 HG21 VAL A 89 -1.803 -5.878 6.121 1.00 33.45 H new ATOM 0 HG22 VAL A 89 -3.066 -6.328 4.951 1.00 33.45 H new ATOM 0 HG23 VAL A 89 -3.469 -5.292 6.340 1.00 33.45 H new ATOM 607 N ASP A 90 -4.660 -9.214 8.618 1.00 62.45 N ATOM 608 CA ASP A 90 -4.713 -10.483 9.357 1.00 4.13 C ATOM 609 C ASP A 90 -6.099 -11.111 9.288 1.00 2.11 C ATOM 610 O ASP A 90 -6.258 -12.329 9.419 1.00 1.13 O ATOM 611 CB ASP A 90 -4.301 -10.265 10.823 1.00 45.03 C ATOM 612 CG ASP A 90 -4.216 -11.549 11.623 1.00 45.02 C ATOM 613 OD1 ASP A 90 -3.130 -12.206 11.611 1.00 31.35 O ATOM 614 OD2 ASP A 90 -5.211 -11.934 12.284 1.00 62.43 O ATOM 0 H ASP A 90 -4.442 -8.406 9.201 1.00 62.45 H new ATOM 0 HA ASP A 90 -4.010 -11.171 8.887 1.00 4.13 H new ATOM 0 HB2 ASP A 90 -3.333 -9.765 10.850 1.00 45.03 H new ATOM 0 HB3 ASP A 90 -5.019 -9.597 11.299 1.00 45.03 H new ATOM 619 N SER A 91 -7.077 -10.279 9.066 1.00 63.34 N ATOM 620 CA SER A 91 -8.432 -10.711 8.986 1.00 51.31 C ATOM 621 C SER A 91 -8.799 -11.182 7.573 1.00 4.32 C ATOM 622 O SER A 91 -9.363 -12.261 7.403 1.00 24.14 O ATOM 623 CB SER A 91 -9.359 -9.562 9.444 1.00 61.22 C ATOM 624 OG SER A 91 -10.739 -9.936 9.465 1.00 45.45 O ATOM 0 H SER A 91 -6.949 -9.276 8.935 1.00 63.34 H new ATOM 0 HA SER A 91 -8.562 -11.569 9.646 1.00 51.31 H new ATOM 0 HB2 SER A 91 -9.061 -9.236 10.441 1.00 61.22 H new ATOM 0 HB3 SER A 91 -9.229 -8.709 8.778 1.00 61.22 H new ATOM 0 HG SER A 91 -11.062 -10.048 8.546 1.00 45.45 H new ATOM 630 N GLU A 92 -8.455 -10.407 6.564 1.00 4.30 N ATOM 631 CA GLU A 92 -8.967 -10.692 5.218 1.00 21.41 C ATOM 632 C GLU A 92 -7.928 -11.276 4.276 1.00 2.21 C ATOM 633 O GLU A 92 -8.247 -12.127 3.433 1.00 4.35 O ATOM 634 CB GLU A 92 -9.594 -9.442 4.599 1.00 74.12 C ATOM 635 CG GLU A 92 -10.668 -8.805 5.466 1.00 2.11 C ATOM 636 CD GLU A 92 -11.743 -9.785 5.880 1.00 30.34 C ATOM 637 OE1 GLU A 92 -12.530 -10.236 5.024 1.00 22.13 O ATOM 638 OE2 GLU A 92 -11.828 -10.124 7.082 1.00 5.24 O ATOM 0 H GLU A 92 -7.842 -9.595 6.634 1.00 4.30 H new ATOM 0 HA GLU A 92 -9.729 -11.460 5.350 1.00 21.41 H new ATOM 0 HB2 GLU A 92 -8.810 -8.709 4.409 1.00 74.12 H new ATOM 0 HB3 GLU A 92 -10.027 -9.703 3.633 1.00 74.12 H new ATOM 0 HG2 GLU A 92 -10.205 -8.382 6.358 1.00 2.11 H new ATOM 0 HG3 GLU A 92 -11.126 -7.979 4.922 1.00 2.11 H new ATOM 645 N HIS A 93 -6.706 -10.838 4.404 1.00 32.12 N ATOM 646 CA HIS A 93 -5.642 -11.277 3.567 1.00 1.21 C ATOM 647 C HIS A 93 -4.368 -11.500 4.400 1.00 72.03 C ATOM 648 O HIS A 93 -3.381 -10.770 4.245 1.00 64.13 O ATOM 649 CB HIS A 93 -5.402 -10.273 2.415 1.00 4.45 C ATOM 650 CG HIS A 93 -5.551 -8.781 2.745 1.00 75.52 C ATOM 651 ND1 HIS A 93 -4.653 -8.080 3.494 1.00 61.01 N ATOM 652 CD2 HIS A 93 -6.488 -7.861 2.341 1.00 62.53 C ATOM 653 CE1 HIS A 93 -5.029 -6.796 3.529 1.00 34.24 C ATOM 654 NE2 HIS A 93 -6.135 -6.585 2.849 1.00 60.13 N ATOM 0 H HIS A 93 -6.425 -10.155 5.107 1.00 32.12 H new ATOM 0 HA HIS A 93 -5.918 -12.230 3.116 1.00 1.21 H new ATOM 0 HB2 HIS A 93 -4.396 -10.435 2.029 1.00 4.45 H new ATOM 0 HB3 HIS A 93 -6.095 -10.512 1.608 1.00 4.45 H new ATOM 0 HD1 HIS A 93 -3.830 -8.470 3.953 1.00 61.01 H new ATOM 0 HD2 HIS A 93 -7.355 -8.075 1.734 1.00 62.53 H new ATOM 0 HE1 HIS A 93 -4.487 -6.023 4.054 1.00 34.24 H new ATOM 662 N PRO A 94 -4.413 -12.471 5.364 1.00 44.11 N ATOM 663 CA PRO A 94 -3.294 -12.740 6.290 1.00 23.11 C ATOM 664 C PRO A 94 -2.083 -13.314 5.578 1.00 65.13 C ATOM 665 O PRO A 94 -0.932 -13.058 5.951 1.00 31.04 O ATOM 666 CB PRO A 94 -3.881 -13.771 7.260 1.00 24.11 C ATOM 667 CG PRO A 94 -4.983 -14.424 6.497 1.00 44.25 C ATOM 668 CD PRO A 94 -5.569 -13.355 5.649 1.00 75.04 C ATOM 0 HA PRO A 94 -2.936 -11.832 6.774 1.00 23.11 H new ATOM 0 HB2 PRO A 94 -3.129 -14.497 7.569 1.00 24.11 H new ATOM 0 HB3 PRO A 94 -4.255 -13.294 8.166 1.00 24.11 H new ATOM 0 HG2 PRO A 94 -4.605 -15.245 5.888 1.00 44.25 H new ATOM 0 HG3 PRO A 94 -5.730 -14.844 7.170 1.00 44.25 H new ATOM 0 HD2 PRO A 94 -6.001 -13.760 4.734 1.00 75.04 H new ATOM 0 HD3 PRO A 94 -6.365 -12.821 6.168 1.00 75.04 H new ATOM 676 N ASN A 95 -2.351 -14.097 4.583 1.00 75.12 N ATOM 677 CA ASN A 95 -1.346 -14.667 3.755 1.00 11.23 C ATOM 678 C ASN A 95 -1.812 -14.517 2.349 1.00 4.30 C ATOM 679 O ASN A 95 -3.010 -14.646 2.074 1.00 31.43 O ATOM 680 CB ASN A 95 -1.038 -16.135 4.105 1.00 54.14 C ATOM 681 CG ASN A 95 -2.192 -17.097 3.908 1.00 1.20 C ATOM 682 OD1 ASN A 95 -2.363 -17.682 2.834 1.00 54.02 O ATOM 683 ND2 ASN A 95 -2.959 -17.294 4.939 1.00 11.31 N ATOM 0 H ASN A 95 -3.300 -14.362 4.320 1.00 75.12 H new ATOM 0 HA ASN A 95 -0.401 -14.147 3.910 1.00 11.23 H new ATOM 0 HB2 ASN A 95 -0.198 -16.469 3.496 1.00 54.14 H new ATOM 0 HB3 ASN A 95 -0.717 -16.185 5.145 1.00 54.14 H new ATOM 0 HD21 ASN A 95 -3.736 -17.952 4.878 1.00 11.31 H new ATOM 0 HD22 ASN A 95 -2.784 -16.790 5.809 1.00 11.31 H new ATOM 690 N VAL A 96 -0.918 -14.197 1.484 1.00 3.14 N ATOM 691 CA VAL A 96 -1.242 -13.892 0.128 1.00 72.42 C ATOM 692 C VAL A 96 0.030 -14.026 -0.695 1.00 24.32 C ATOM 693 O VAL A 96 1.112 -13.712 -0.206 1.00 62.33 O ATOM 694 CB VAL A 96 -1.906 -12.473 0.046 1.00 23.15 C ATOM 695 CG1 VAL A 96 -1.087 -11.414 0.763 1.00 72.30 C ATOM 696 CG2 VAL A 96 -2.220 -12.057 -1.380 1.00 34.24 C ATOM 0 H VAL A 96 0.078 -14.137 1.697 1.00 3.14 H new ATOM 0 HA VAL A 96 -1.977 -14.584 -0.282 1.00 72.42 H new ATOM 0 HB VAL A 96 -2.859 -12.557 0.569 1.00 23.15 H new ATOM 0 HG11 VAL A 96 -1.587 -10.449 0.679 1.00 72.30 H new ATOM 0 HG12 VAL A 96 -0.988 -11.681 1.815 1.00 72.30 H new ATOM 0 HG13 VAL A 96 -0.097 -11.351 0.310 1.00 72.30 H new ATOM 0 HG21 VAL A 96 -2.678 -11.068 -1.378 1.00 34.24 H new ATOM 0 HG22 VAL A 96 -1.299 -12.029 -1.962 1.00 34.24 H new ATOM 0 HG23 VAL A 96 -2.909 -12.775 -1.825 1.00 34.24 H new ATOM 706 N VAL A 97 -0.094 -14.534 -1.902 1.00 52.42 N ATOM 707 CA VAL A 97 1.068 -14.916 -2.683 1.00 23.14 C ATOM 708 C VAL A 97 0.899 -14.503 -4.186 1.00 41.24 C ATOM 709 O VAL A 97 1.495 -15.094 -5.102 1.00 73.21 O ATOM 710 CB VAL A 97 1.225 -16.469 -2.529 1.00 24.44 C ATOM 711 CG1 VAL A 97 0.052 -17.223 -3.138 1.00 21.45 C ATOM 712 CG2 VAL A 97 2.552 -16.991 -3.045 1.00 1.11 C ATOM 0 H VAL A 97 -0.988 -14.693 -2.367 1.00 52.42 H new ATOM 0 HA VAL A 97 1.962 -14.404 -2.327 1.00 23.14 H new ATOM 0 HB VAL A 97 1.220 -16.661 -1.456 1.00 24.44 H new ATOM 0 HG11 VAL A 97 0.202 -18.295 -3.009 1.00 21.45 H new ATOM 0 HG12 VAL A 97 -0.871 -16.923 -2.641 1.00 21.45 H new ATOM 0 HG13 VAL A 97 -0.017 -16.992 -4.201 1.00 21.45 H new ATOM 0 HG21 VAL A 97 2.596 -18.072 -2.909 1.00 1.11 H new ATOM 0 HG22 VAL A 97 2.649 -16.755 -4.105 1.00 1.11 H new ATOM 0 HG23 VAL A 97 3.367 -16.522 -2.493 1.00 1.11 H new ATOM 722 N LEU A 98 0.173 -13.435 -4.418 1.00 75.44 N ATOM 723 CA LEU A 98 -0.194 -13.067 -5.783 1.00 21.14 C ATOM 724 C LEU A 98 0.752 -12.069 -6.458 1.00 2.32 C ATOM 725 O LEU A 98 0.706 -10.863 -6.181 1.00 14.51 O ATOM 726 CB LEU A 98 -1.665 -12.598 -5.903 1.00 14.23 C ATOM 727 CG LEU A 98 -2.784 -13.669 -5.777 1.00 24.30 C ATOM 728 CD1 LEU A 98 -2.587 -14.806 -6.768 1.00 62.21 C ATOM 729 CD2 LEU A 98 -2.923 -14.201 -4.358 1.00 35.41 C ATOM 0 H LEU A 98 -0.176 -12.806 -3.695 1.00 75.44 H new ATOM 0 HA LEU A 98 -0.086 -14.000 -6.336 1.00 21.14 H new ATOM 0 HB2 LEU A 98 -1.838 -11.842 -5.137 1.00 14.23 H new ATOM 0 HB3 LEU A 98 -1.781 -12.106 -6.869 1.00 14.23 H new ATOM 0 HG LEU A 98 -3.719 -13.166 -6.023 1.00 24.30 H new ATOM 0 HD11 LEU A 98 -3.389 -15.535 -6.650 1.00 62.21 H new ATOM 0 HD12 LEU A 98 -2.603 -14.410 -7.784 1.00 62.21 H new ATOM 0 HD13 LEU A 98 -1.628 -15.289 -6.582 1.00 62.21 H new ATOM 0 HD21 LEU A 98 -3.718 -14.946 -4.325 1.00 35.41 H new ATOM 0 HD22 LEU A 98 -1.984 -14.659 -4.047 1.00 35.41 H new ATOM 0 HD23 LEU A 98 -3.167 -13.380 -3.684 1.00 35.41 H new ATOM 741 N ASN A 99 1.604 -12.622 -7.338 1.00 15.51 N ATOM 742 CA ASN A 99 2.532 -11.913 -8.287 1.00 63.22 C ATOM 743 C ASN A 99 3.431 -10.830 -7.649 1.00 71.23 C ATOM 744 O ASN A 99 3.502 -10.704 -6.442 1.00 54.32 O ATOM 745 CB ASN A 99 1.780 -11.393 -9.558 1.00 62.12 C ATOM 746 CG ASN A 99 0.893 -10.164 -9.353 1.00 10.22 C ATOM 747 OD1 ASN A 99 -0.265 -10.264 -8.937 1.00 53.12 O ATOM 748 ND2 ASN A 99 1.390 -9.016 -9.702 1.00 4.23 N ATOM 0 H ASN A 99 1.682 -13.635 -7.425 1.00 15.51 H new ATOM 0 HA ASN A 99 3.237 -12.682 -8.604 1.00 63.22 H new ATOM 0 HB2 ASN A 99 2.520 -11.160 -10.324 1.00 62.12 H new ATOM 0 HB3 ASN A 99 1.162 -12.202 -9.947 1.00 62.12 H new ATOM 0 HD21 ASN A 99 0.821 -8.172 -9.635 1.00 4.23 H new ATOM 0 HD22 ASN A 99 2.350 -8.958 -10.043 1.00 4.23 H new ATOM 755 N SER A 100 4.153 -10.090 -8.475 1.00 3.15 N ATOM 756 CA SER A 100 5.054 -9.075 -7.988 1.00 21.15 C ATOM 757 C SER A 100 4.361 -7.691 -7.965 1.00 45.20 C ATOM 758 O SER A 100 3.531 -7.380 -8.814 1.00 51.11 O ATOM 759 CB SER A 100 6.322 -9.080 -8.830 1.00 25.10 C ATOM 760 OG SER A 100 6.904 -10.387 -8.815 1.00 71.34 O ATOM 0 H SER A 100 4.127 -10.179 -9.491 1.00 3.15 H new ATOM 0 HA SER A 100 5.336 -9.295 -6.958 1.00 21.15 H new ATOM 0 HB2 SER A 100 6.092 -8.785 -9.854 1.00 25.10 H new ATOM 0 HB3 SER A 100 7.032 -8.350 -8.440 1.00 25.10 H new ATOM 0 HG SER A 100 7.181 -10.611 -7.902 1.00 71.34 H new ATOM 766 N SER A 101 4.703 -6.888 -6.985 1.00 50.34 N ATOM 767 CA SER A 101 4.077 -5.643 -6.667 1.00 32.34 C ATOM 768 C SER A 101 5.062 -4.848 -5.826 1.00 52.24 C ATOM 769 O SER A 101 6.144 -5.357 -5.537 1.00 63.41 O ATOM 770 CB SER A 101 2.815 -5.937 -5.865 1.00 43.55 C ATOM 771 OG SER A 101 1.886 -6.699 -6.627 1.00 32.30 O ATOM 0 H SER A 101 5.474 -7.108 -6.355 1.00 50.34 H new ATOM 0 HA SER A 101 3.808 -5.079 -7.560 1.00 32.34 H new ATOM 0 HB2 SER A 101 3.077 -6.480 -4.957 1.00 43.55 H new ATOM 0 HB3 SER A 101 2.352 -5.000 -5.554 1.00 43.55 H new ATOM 0 HG SER A 101 1.290 -6.094 -7.116 1.00 32.30 H new ATOM 777 N TYR A 102 4.728 -3.629 -5.473 1.00 64.42 N ATOM 778 CA TYR A 102 5.612 -2.786 -4.686 1.00 2.53 C ATOM 779 C TYR A 102 5.059 -2.559 -3.282 1.00 63.00 C ATOM 780 O TYR A 102 3.841 -2.396 -3.099 1.00 42.32 O ATOM 781 CB TYR A 102 5.785 -1.439 -5.347 1.00 30.44 C ATOM 782 CG TYR A 102 6.734 -1.329 -6.514 1.00 23.14 C ATOM 783 CD1 TYR A 102 6.944 -2.366 -7.411 1.00 72.41 C ATOM 784 CD2 TYR A 102 7.411 -0.141 -6.719 1.00 54.51 C ATOM 785 CE1 TYR A 102 7.804 -2.220 -8.478 1.00 60.55 C ATOM 786 CE2 TYR A 102 8.263 0.019 -7.786 1.00 71.03 C ATOM 787 CZ TYR A 102 8.456 -1.022 -8.665 1.00 25.14 C ATOM 788 OH TYR A 102 9.303 -0.860 -9.737 1.00 72.10 O ATOM 0 H TYR A 102 3.841 -3.190 -5.719 1.00 64.42 H new ATOM 0 HA TYR A 102 6.570 -3.301 -4.620 1.00 2.53 H new ATOM 0 HB2 TYR A 102 4.803 -1.107 -5.685 1.00 30.44 H new ATOM 0 HB3 TYR A 102 6.115 -0.734 -4.583 1.00 30.44 H new ATOM 0 HD1 TYR A 102 6.425 -3.303 -7.271 1.00 72.41 H new ATOM 0 HD2 TYR A 102 7.268 0.677 -6.028 1.00 54.51 H new ATOM 0 HE1 TYR A 102 7.965 -3.040 -9.163 1.00 60.55 H new ATOM 0 HE2 TYR A 102 8.778 0.957 -7.934 1.00 71.03 H new ATOM 0 HH TYR A 102 9.680 0.044 -9.722 1.00 72.10 H new ATOM 798 N VAL A 103 5.947 -2.546 -2.313 1.00 11.43 N ATOM 799 CA VAL A 103 5.601 -2.320 -0.925 1.00 21.30 C ATOM 800 C VAL A 103 6.519 -1.240 -0.337 1.00 53.44 C ATOM 801 O VAL A 103 7.699 -1.185 -0.647 1.00 42.52 O ATOM 802 CB VAL A 103 5.731 -3.659 -0.098 1.00 22.22 C ATOM 803 CG1 VAL A 103 7.106 -4.170 -0.108 1.00 44.32 C ATOM 804 CG2 VAL A 103 5.288 -3.535 1.330 1.00 13.13 C ATOM 0 H VAL A 103 6.944 -2.694 -2.468 1.00 11.43 H new ATOM 0 HA VAL A 103 4.566 -1.982 -0.867 1.00 21.30 H new ATOM 0 HB VAL A 103 5.061 -4.356 -0.602 1.00 22.22 H new ATOM 0 HG11 VAL A 103 7.156 -5.092 0.471 1.00 44.32 H new ATOM 0 HG12 VAL A 103 7.413 -4.370 -1.135 1.00 44.32 H new ATOM 0 HG13 VAL A 103 7.773 -3.429 0.332 1.00 44.32 H new ATOM 0 HG21 VAL A 103 5.407 -4.495 1.833 1.00 13.13 H new ATOM 0 HG22 VAL A 103 5.894 -2.783 1.835 1.00 13.13 H new ATOM 0 HG23 VAL A 103 4.240 -3.237 1.361 1.00 13.13 H new ATOM 814 N CYS A 104 5.976 -0.366 0.457 1.00 1.13 N ATOM 815 CA CYS A 104 6.790 0.601 1.159 1.00 15.33 C ATOM 816 C CYS A 104 7.284 -0.112 2.353 1.00 63.21 C ATOM 817 O CYS A 104 6.527 -0.331 3.237 1.00 33.03 O ATOM 818 CB CYS A 104 5.931 1.832 1.573 1.00 22.01 C ATOM 819 SG CYS A 104 6.700 3.123 2.738 1.00 14.33 S ATOM 0 H CYS A 104 4.975 -0.297 0.640 1.00 1.13 H new ATOM 0 HA CYS A 104 7.606 0.979 0.543 1.00 15.33 H new ATOM 0 HB2 CYS A 104 5.628 2.347 0.661 1.00 22.01 H new ATOM 0 HB3 CYS A 104 5.022 1.459 2.045 1.00 22.01 H new ATOM 0 HG CYS A 104 5.761 3.871 3.237 1.00 14.33 H new ATOM 824 N VAL A 105 8.530 -0.541 2.340 1.00 71.51 N ATOM 825 CA VAL A 105 9.133 -1.289 3.456 1.00 74.21 C ATOM 826 C VAL A 105 9.018 -0.513 4.741 1.00 15.51 C ATOM 827 O VAL A 105 8.873 -1.085 5.811 1.00 72.03 O ATOM 828 CB VAL A 105 10.624 -1.556 3.231 1.00 13.52 C ATOM 829 CG1 VAL A 105 10.951 -2.960 3.488 1.00 32.11 C ATOM 830 CG2 VAL A 105 11.062 -1.176 1.869 1.00 1.30 C ATOM 0 H VAL A 105 9.166 -0.387 1.558 1.00 71.51 H new ATOM 0 HA VAL A 105 8.591 -2.233 3.513 1.00 74.21 H new ATOM 0 HB VAL A 105 11.164 -0.929 3.941 1.00 13.52 H new ATOM 0 HG11 VAL A 105 12.016 -3.122 3.321 1.00 32.11 H new ATOM 0 HG12 VAL A 105 10.704 -3.208 4.520 1.00 32.11 H new ATOM 0 HG13 VAL A 105 10.377 -3.596 2.815 1.00 32.11 H new ATOM 0 HG21 VAL A 105 12.126 -1.384 1.758 1.00 1.30 H new ATOM 0 HG22 VAL A 105 10.501 -1.751 1.133 1.00 1.30 H new ATOM 0 HG23 VAL A 105 10.882 -0.112 1.712 1.00 1.30 H new ATOM 840 N GLU A 106 9.046 0.797 4.600 1.00 52.10 N ATOM 841 CA GLU A 106 8.978 1.713 5.713 1.00 14.23 C ATOM 842 C GLU A 106 7.661 1.523 6.446 1.00 61.30 C ATOM 843 O GLU A 106 7.610 1.474 7.663 1.00 0.32 O ATOM 844 CB GLU A 106 9.064 3.155 5.200 1.00 12.11 C ATOM 845 CG GLU A 106 10.180 3.401 4.189 1.00 54.31 C ATOM 846 CD GLU A 106 11.570 3.253 4.753 1.00 14.04 C ATOM 847 OE1 GLU A 106 11.796 2.384 5.616 1.00 62.11 O ATOM 848 OE2 GLU A 106 12.456 3.972 4.303 1.00 42.12 O ATOM 0 H GLU A 106 9.118 1.259 3.693 1.00 52.10 H new ATOM 0 HA GLU A 106 9.809 1.516 6.391 1.00 14.23 H new ATOM 0 HB2 GLU A 106 8.111 3.422 4.743 1.00 12.11 H new ATOM 0 HB3 GLU A 106 9.208 3.822 6.050 1.00 12.11 H new ATOM 0 HG2 GLU A 106 10.062 2.706 3.358 1.00 54.31 H new ATOM 0 HG3 GLU A 106 10.071 4.406 3.782 1.00 54.31 H new ATOM 855 N CYS A 107 6.613 1.366 5.674 1.00 75.44 N ATOM 856 CA CYS A 107 5.263 1.212 6.241 1.00 34.04 C ATOM 857 C CYS A 107 4.811 -0.243 6.214 1.00 35.54 C ATOM 858 O CYS A 107 3.813 -0.596 6.831 1.00 42.30 O ATOM 859 CB CYS A 107 4.286 2.026 5.412 1.00 75.21 C ATOM 860 SG CYS A 107 4.856 3.723 5.060 1.00 72.35 S ATOM 0 H CYS A 107 6.651 1.339 4.655 1.00 75.44 H new ATOM 0 HA CYS A 107 5.288 1.554 7.276 1.00 34.04 H new ATOM 0 HB2 CYS A 107 4.106 1.510 4.469 1.00 75.21 H new ATOM 0 HB3 CYS A 107 3.331 2.075 5.936 1.00 75.21 H new ATOM 0 HG CYS A 107 6.077 3.687 4.615 1.00 72.35 H new ATOM 865 N ASN A 108 5.557 -1.060 5.484 1.00 5.01 N ATOM 866 CA ASN A 108 5.224 -2.451 5.203 1.00 34.15 C ATOM 867 C ASN A 108 3.810 -2.567 4.610 1.00 52.45 C ATOM 868 O ASN A 108 2.956 -3.313 5.108 1.00 5.33 O ATOM 869 CB ASN A 108 5.422 -3.301 6.451 1.00 2.01 C ATOM 870 CG ASN A 108 6.874 -3.636 6.742 1.00 31.44 C ATOM 871 OD1 ASN A 108 7.625 -4.009 5.727 1.00 25.31 O flip ATOM 872 ND2 ASN A 108 7.296 -3.640 7.899 1.00 35.55 N flip ATOM 0 H ASN A 108 6.436 -0.766 5.058 1.00 5.01 H new ATOM 0 HA ASN A 108 5.903 -2.839 4.444 1.00 34.15 H new ATOM 0 HB2 ASN A 108 5.002 -2.774 7.308 1.00 2.01 H new ATOM 0 HB3 ASN A 108 4.860 -4.229 6.340 1.00 2.01 H new ATOM 0 HD21 ASN A 108 6.689 -3.345 8.664 1.00 35.55 H new ATOM 0 HD22 ASN A 108 8.252 -3.938 8.092 1.00 35.55 H new ATOM 879 N PHE A 109 3.579 -1.826 3.516 1.00 74.23 N ATOM 880 CA PHE A 109 2.265 -1.799 2.876 1.00 55.33 C ATOM 881 C PHE A 109 2.411 -2.058 1.388 1.00 4.12 C ATOM 882 O PHE A 109 3.189 -1.376 0.699 1.00 60.53 O ATOM 883 CB PHE A 109 1.495 -0.461 3.158 1.00 62.22 C ATOM 884 CG PHE A 109 1.419 0.559 2.016 1.00 52.53 C ATOM 885 CD1 PHE A 109 0.376 0.511 1.109 1.00 54.34 C ATOM 886 CD2 PHE A 109 2.361 1.561 1.877 1.00 40.45 C ATOM 887 CE1 PHE A 109 0.273 1.443 0.083 1.00 33.22 C ATOM 888 CE2 PHE A 109 2.267 2.496 0.838 1.00 70.11 C ATOM 889 CZ PHE A 109 1.220 2.433 -0.055 1.00 70.12 C ATOM 0 H PHE A 109 4.282 -1.243 3.062 1.00 74.23 H new ATOM 0 HA PHE A 109 1.660 -2.594 3.311 1.00 55.33 H new ATOM 0 HB2 PHE A 109 0.477 -0.713 3.454 1.00 62.22 H new ATOM 0 HB3 PHE A 109 1.964 0.025 4.014 1.00 62.22 H new ATOM 0 HD1 PHE A 109 -0.371 -0.264 1.199 1.00 54.34 H new ATOM 0 HD2 PHE A 109 3.180 1.624 2.578 1.00 40.45 H new ATOM 0 HE1 PHE A 109 -0.554 1.390 -0.610 1.00 33.22 H new ATOM 0 HE2 PHE A 109 3.016 3.267 0.737 1.00 70.11 H new ATOM 0 HZ PHE A 109 1.143 3.153 -0.856 1.00 70.12 H new ATOM 899 N LEU A 110 1.709 -3.051 0.919 1.00 0.33 N ATOM 900 CA LEU A 110 1.740 -3.451 -0.468 1.00 73.12 C ATOM 901 C LEU A 110 0.618 -2.807 -1.177 1.00 74.13 C ATOM 902 O LEU A 110 -0.490 -2.855 -0.690 1.00 52.22 O ATOM 903 CB LEU A 110 1.578 -4.968 -0.602 1.00 1.22 C ATOM 904 CG LEU A 110 2.839 -5.762 -0.875 1.00 14.01 C ATOM 905 CD1 LEU A 110 2.532 -7.234 -0.802 1.00 63.10 C ATOM 906 CD2 LEU A 110 3.364 -5.432 -2.263 1.00 43.20 C ATOM 0 H LEU A 110 1.087 -3.618 1.496 1.00 0.33 H new ATOM 0 HA LEU A 110 2.699 -3.152 -0.892 1.00 73.12 H new ATOM 0 HB2 LEU A 110 1.130 -5.345 0.317 1.00 1.22 H new ATOM 0 HB3 LEU A 110 0.870 -5.166 -1.407 1.00 1.22 H new ATOM 0 HG LEU A 110 3.591 -5.504 -0.130 1.00 14.01 H new ATOM 0 HD11 LEU A 110 3.439 -7.805 -0.998 1.00 63.10 H new ATOM 0 HD12 LEU A 110 2.157 -7.479 0.192 1.00 63.10 H new ATOM 0 HD13 LEU A 110 1.777 -7.486 -1.547 1.00 63.10 H new ATOM 0 HD21 LEU A 110 4.271 -6.005 -2.455 1.00 43.20 H new ATOM 0 HD22 LEU A 110 2.610 -5.687 -3.007 1.00 43.20 H new ATOM 0 HD23 LEU A 110 3.588 -4.367 -2.323 1.00 43.20 H new ATOM 918 N THR A 111 0.885 -2.247 -2.311 1.00 71.23 N ATOM 919 CA THR A 111 -0.118 -1.605 -3.104 1.00 30.21 C ATOM 920 C THR A 111 -0.135 -2.197 -4.513 1.00 32.21 C ATOM 921 O THR A 111 0.793 -2.916 -4.911 1.00 33.21 O ATOM 922 CB THR A 111 0.041 -0.051 -3.100 1.00 43.40 C ATOM 923 OG1 THR A 111 -0.816 0.593 -4.083 1.00 31.34 O ATOM 924 CG2 THR A 111 1.493 0.360 -3.293 1.00 2.41 C ATOM 0 H THR A 111 1.819 -2.221 -2.721 1.00 71.23 H new ATOM 0 HA THR A 111 -1.092 -1.800 -2.655 1.00 30.21 H new ATOM 0 HB THR A 111 -0.281 0.293 -2.117 1.00 43.40 H new ATOM 0 HG1 THR A 111 -1.706 0.735 -3.698 1.00 31.34 H new ATOM 0 HG21 THR A 111 1.567 1.447 -3.285 1.00 2.41 H new ATOM 0 HG22 THR A 111 2.098 -0.051 -2.485 1.00 2.41 H new ATOM 0 HG23 THR A 111 1.855 -0.022 -4.248 1.00 2.41 H new ATOM 932 N LYS A 112 -1.200 -1.912 -5.243 1.00 1.13 N ATOM 933 CA LYS A 112 -1.451 -2.476 -6.567 1.00 11.03 C ATOM 934 C LYS A 112 -0.632 -1.745 -7.603 1.00 72.22 C ATOM 935 O LYS A 112 -0.444 -2.222 -8.719 1.00 23.43 O ATOM 936 CB LYS A 112 -2.917 -2.239 -6.951 1.00 3.32 C ATOM 937 CG LYS A 112 -3.942 -2.621 -5.912 1.00 13.35 C ATOM 938 CD LYS A 112 -5.334 -2.228 -6.379 1.00 72.32 C ATOM 939 CE LYS A 112 -6.377 -2.481 -5.310 1.00 12.04 C ATOM 940 NZ LYS A 112 -6.106 -1.691 -4.101 1.00 33.41 N ATOM 0 H LYS A 112 -1.930 -1.271 -4.931 1.00 1.13 H new ATOM 0 HA LYS A 112 -1.201 -3.537 -6.536 1.00 11.03 H new ATOM 0 HB2 LYS A 112 -3.044 -1.182 -7.187 1.00 3.32 H new ATOM 0 HB3 LYS A 112 -3.128 -2.797 -7.863 1.00 3.32 H new ATOM 0 HG2 LYS A 112 -3.902 -3.695 -5.728 1.00 13.35 H new ATOM 0 HG3 LYS A 112 -3.714 -2.127 -4.967 1.00 13.35 H new ATOM 0 HD2 LYS A 112 -5.342 -1.173 -6.652 1.00 72.32 H new ATOM 0 HD3 LYS A 112 -5.589 -2.791 -7.277 1.00 72.32 H new ATOM 0 HE2 LYS A 112 -7.365 -2.231 -5.697 1.00 12.04 H new ATOM 0 HE3 LYS A 112 -6.393 -3.541 -5.058 1.00 12.04 H new ATOM 0 HZ1 LYS A 112 -6.707 -2.030 -3.323 1.00 33.41 H new ATOM 0 HZ2 LYS A 112 -5.106 -1.794 -3.836 1.00 33.41 H new ATOM 0 HZ3 LYS A 112 -6.314 -0.689 -4.287 1.00 33.41 H new ATOM 954 N ARG A 113 -0.155 -0.598 -7.230 1.00 43.34 N ATOM 955 CA ARG A 113 0.426 0.301 -8.172 1.00 22.20 C ATOM 956 C ARG A 113 1.780 0.766 -7.693 1.00 73.51 C ATOM 957 O ARG A 113 2.017 0.820 -6.498 1.00 63.50 O ATOM 958 CB ARG A 113 -0.531 1.482 -8.318 1.00 3.23 C ATOM 959 CG ARG A 113 -0.685 2.305 -7.040 1.00 42.24 C ATOM 960 CD ARG A 113 -1.926 3.164 -7.052 1.00 34.23 C ATOM 961 NE ARG A 113 -3.142 2.388 -6.740 1.00 5.52 N ATOM 962 CZ ARG A 113 -4.148 2.097 -7.582 1.00 31.51 C ATOM 963 NH1 ARG A 113 -4.033 2.311 -8.902 1.00 51.21 N ATOM 964 NH2 ARG A 113 -5.260 1.563 -7.101 1.00 45.42 N ATOM 0 H ARG A 113 -0.158 -0.261 -6.267 1.00 43.34 H new ATOM 0 HA ARG A 113 0.576 -0.190 -9.133 1.00 22.20 H new ATOM 0 HB2 ARG A 113 -0.175 2.131 -9.118 1.00 3.23 H new ATOM 0 HB3 ARG A 113 -1.510 1.111 -8.621 1.00 3.23 H new ATOM 0 HG2 ARG A 113 -0.720 1.634 -6.182 1.00 42.24 H new ATOM 0 HG3 ARG A 113 0.192 2.940 -6.913 1.00 42.24 H new ATOM 0 HD2 ARG A 113 -1.815 3.970 -6.327 1.00 34.23 H new ATOM 0 HD3 ARG A 113 -2.035 3.629 -8.032 1.00 34.23 H new ATOM 0 HE ARG A 113 -3.228 2.036 -5.786 1.00 5.52 H new ATOM 0 HH11 ARG A 113 -3.171 2.701 -9.282 1.00 51.21 H new ATOM 0 HH12 ARG A 113 -4.808 2.084 -9.525 1.00 51.21 H new ATOM 0 HH21 ARG A 113 -5.346 1.377 -6.102 1.00 45.42 H new ATOM 0 HH22 ARG A 113 -6.031 1.338 -7.730 1.00 45.42 H new ATOM 978 N TYR A 114 2.661 1.132 -8.610 1.00 52.21 N ATOM 979 CA TYR A 114 3.977 1.617 -8.203 1.00 0.45 C ATOM 980 C TYR A 114 3.881 3.094 -7.817 1.00 42.53 C ATOM 981 O TYR A 114 4.719 3.635 -7.090 1.00 5.44 O ATOM 982 CB TYR A 114 5.055 1.396 -9.299 1.00 63.45 C ATOM 983 CG TYR A 114 4.930 2.253 -10.553 1.00 64.24 C ATOM 984 CD1 TYR A 114 4.140 1.859 -11.618 1.00 24.25 C ATOM 985 CD2 TYR A 114 5.632 3.453 -10.669 1.00 35.24 C ATOM 986 CE1 TYR A 114 4.042 2.629 -12.760 1.00 71.32 C ATOM 987 CE2 TYR A 114 5.541 4.227 -11.808 1.00 31.14 C ATOM 988 CZ TYR A 114 4.746 3.812 -12.849 1.00 62.41 C ATOM 989 OH TYR A 114 4.657 4.576 -13.992 1.00 5.13 O ATOM 0 H TYR A 114 2.499 1.106 -9.617 1.00 52.21 H new ATOM 0 HA TYR A 114 4.296 1.036 -7.338 1.00 0.45 H new ATOM 0 HB2 TYR A 114 6.035 1.578 -8.857 1.00 63.45 H new ATOM 0 HB3 TYR A 114 5.030 0.348 -9.597 1.00 63.45 H new ATOM 0 HD1 TYR A 114 3.590 0.932 -11.555 1.00 24.25 H new ATOM 0 HD2 TYR A 114 6.258 3.782 -9.853 1.00 35.24 H new ATOM 0 HE1 TYR A 114 3.417 2.307 -13.580 1.00 71.32 H new ATOM 0 HE2 TYR A 114 6.091 5.153 -11.881 1.00 31.14 H new ATOM 0 HH TYR A 114 5.212 5.378 -13.894 1.00 5.13 H new ATOM 999 N ASP A 115 2.815 3.720 -8.296 1.00 22.11 N ATOM 1000 CA ASP A 115 2.533 5.143 -8.088 1.00 2.41 C ATOM 1001 C ASP A 115 2.484 5.488 -6.640 1.00 53.51 C ATOM 1002 O ASP A 115 3.105 6.437 -6.217 1.00 13.24 O ATOM 1003 CB ASP A 115 1.188 5.541 -8.688 1.00 41.41 C ATOM 1004 CG ASP A 115 1.032 5.244 -10.146 1.00 65.13 C ATOM 1005 OD1 ASP A 115 0.820 4.065 -10.492 1.00 3.24 O ATOM 1006 OD2 ASP A 115 1.038 6.181 -10.945 1.00 33.12 O ATOM 0 H ASP A 115 2.103 3.247 -8.853 1.00 22.11 H new ATOM 0 HA ASP A 115 3.344 5.681 -8.579 1.00 2.41 H new ATOM 0 HB2 ASP A 115 0.397 5.027 -8.142 1.00 41.41 H new ATOM 0 HB3 ASP A 115 1.040 6.610 -8.533 1.00 41.41 H new ATOM 1011 N ALA A 116 1.805 4.668 -5.880 1.00 5.30 N ATOM 1012 CA ALA A 116 1.542 4.941 -4.487 1.00 31.53 C ATOM 1013 C ALA A 116 2.843 5.033 -3.684 1.00 15.44 C ATOM 1014 O ALA A 116 2.902 5.694 -2.658 1.00 54.32 O ATOM 1015 CB ALA A 116 0.638 3.865 -3.938 1.00 63.34 C ATOM 0 H ALA A 116 1.415 3.785 -6.211 1.00 5.30 H new ATOM 0 HA ALA A 116 1.046 5.907 -4.399 1.00 31.53 H new ATOM 0 HB1 ALA A 116 0.434 4.063 -2.886 1.00 63.34 H new ATOM 0 HB2 ALA A 116 -0.299 3.858 -4.494 1.00 63.34 H new ATOM 0 HB3 ALA A 116 1.125 2.895 -4.037 1.00 63.34 H new ATOM 1021 N LEU A 117 3.872 4.366 -4.173 1.00 3.12 N ATOM 1022 CA LEU A 117 5.191 4.383 -3.549 1.00 3.34 C ATOM 1023 C LEU A 117 5.983 5.595 -3.995 1.00 50.20 C ATOM 1024 O LEU A 117 6.808 6.114 -3.265 1.00 23.51 O ATOM 1025 CB LEU A 117 6.016 3.142 -3.885 1.00 32.04 C ATOM 1026 CG LEU A 117 5.417 1.794 -3.571 1.00 13.11 C ATOM 1027 CD1 LEU A 117 4.842 1.739 -2.169 1.00 54.30 C ATOM 1028 CD2 LEU A 117 4.405 1.424 -4.599 1.00 74.24 C ATOM 0 H LEU A 117 3.821 3.794 -5.016 1.00 3.12 H new ATOM 0 HA LEU A 117 5.010 4.410 -2.475 1.00 3.34 H new ATOM 0 HB2 LEU A 117 6.242 3.168 -4.951 1.00 32.04 H new ATOM 0 HB3 LEU A 117 6.966 3.218 -3.356 1.00 32.04 H new ATOM 0 HG LEU A 117 6.219 1.056 -3.603 1.00 13.11 H new ATOM 0 HD11 LEU A 117 4.422 0.750 -1.987 1.00 54.30 H new ATOM 0 HD12 LEU A 117 5.631 1.937 -1.444 1.00 54.30 H new ATOM 0 HD13 LEU A 117 4.059 2.490 -2.067 1.00 54.30 H new ATOM 0 HD21 LEU A 117 3.982 0.449 -4.358 1.00 74.24 H new ATOM 0 HD22 LEU A 117 3.611 2.171 -4.613 1.00 74.24 H new ATOM 0 HD23 LEU A 117 4.881 1.381 -5.579 1.00 74.24 H new ATOM 1040 N SER A 118 5.730 6.027 -5.202 1.00 2.22 N ATOM 1041 CA SER A 118 6.461 7.135 -5.799 1.00 42.14 C ATOM 1042 C SER A 118 5.938 8.426 -5.212 1.00 54.31 C ATOM 1043 O SER A 118 6.677 9.374 -4.986 1.00 11.55 O ATOM 1044 CB SER A 118 6.241 7.114 -7.311 1.00 31.31 C ATOM 1045 OG SER A 118 7.269 7.804 -8.024 1.00 41.41 O ATOM 0 H SER A 118 5.013 5.627 -5.807 1.00 2.22 H new ATOM 0 HA SER A 118 7.528 7.050 -5.594 1.00 42.14 H new ATOM 0 HB2 SER A 118 6.197 6.080 -7.654 1.00 31.31 H new ATOM 0 HB3 SER A 118 5.277 7.568 -7.541 1.00 31.31 H new ATOM 0 HG SER A 118 7.085 7.761 -8.986 1.00 41.41 H new ATOM 1051 N GLU A 119 4.648 8.454 -4.986 1.00 54.01 N ATOM 1052 CA GLU A 119 4.016 9.598 -4.360 1.00 43.52 C ATOM 1053 C GLU A 119 4.196 9.520 -2.872 1.00 53.31 C ATOM 1054 O GLU A 119 4.012 10.480 -2.179 1.00 3.44 O ATOM 1055 CB GLU A 119 2.539 9.695 -4.651 1.00 23.11 C ATOM 1056 CG GLU A 119 2.162 9.279 -6.028 1.00 72.43 C ATOM 1057 CD GLU A 119 0.799 9.786 -6.412 1.00 14.42 C ATOM 1058 OE1 GLU A 119 0.673 10.970 -6.796 1.00 73.34 O ATOM 1059 OE2 GLU A 119 -0.173 9.008 -6.351 1.00 35.42 O ATOM 0 H GLU A 119 4.009 7.696 -5.226 1.00 54.01 H new ATOM 0 HA GLU A 119 4.497 10.482 -4.777 1.00 43.52 H new ATOM 0 HB2 GLU A 119 1.997 9.077 -3.935 1.00 23.11 H new ATOM 0 HB3 GLU A 119 2.215 10.724 -4.493 1.00 23.11 H new ATOM 0 HG2 GLU A 119 2.902 9.653 -6.736 1.00 72.43 H new ATOM 0 HG3 GLU A 119 2.177 8.191 -6.096 1.00 72.43 H new ATOM 1066 N HIS A 120 4.471 8.346 -2.398 1.00 70.45 N ATOM 1067 CA HIS A 120 4.591 8.068 -0.973 1.00 22.25 C ATOM 1068 C HIS A 120 5.498 9.086 -0.264 1.00 33.13 C ATOM 1069 O HIS A 120 5.076 9.733 0.598 1.00 2.31 O ATOM 1070 CB HIS A 120 5.101 6.675 -0.759 1.00 14.12 C ATOM 1071 CG HIS A 120 4.814 6.119 0.563 1.00 4.14 C ATOM 1072 ND1 HIS A 120 3.616 5.546 0.910 1.00 11.11 N ATOM 1073 CD2 HIS A 120 5.587 6.044 1.625 1.00 1.23 C ATOM 1074 CE1 HIS A 120 3.695 5.146 2.168 1.00 40.34 C ATOM 1075 NE2 HIS A 120 4.899 5.423 2.671 1.00 64.32 N ATOM 0 H HIS A 120 4.624 7.528 -2.988 1.00 70.45 H new ATOM 0 HA HIS A 120 3.597 8.157 -0.535 1.00 22.25 H new ATOM 0 HB2 HIS A 120 4.666 6.022 -1.516 1.00 14.12 H new ATOM 0 HB3 HIS A 120 6.180 6.669 -0.915 1.00 14.12 H new ATOM 0 HD1 HIS A 120 2.804 5.446 0.301 1.00 11.11 H new ATOM 0 HD2 HIS A 120 6.602 6.408 1.680 1.00 1.23 H new ATOM 0 HE1 HIS A 120 2.897 4.663 2.712 1.00 40.34 H new ATOM 1083 N ASN A 121 6.703 9.231 -0.685 1.00 55.51 N ATOM 1084 CA ASN A 121 7.655 10.230 -0.129 1.00 12.53 C ATOM 1085 C ASN A 121 7.251 11.672 -0.463 1.00 71.24 C ATOM 1086 O ASN A 121 7.783 12.639 0.060 1.00 72.14 O ATOM 1087 CB ASN A 121 9.092 9.914 -0.510 1.00 21.32 C ATOM 1088 CG ASN A 121 9.340 9.771 -1.984 1.00 74.24 C ATOM 1089 OD1 ASN A 121 8.456 9.462 -2.764 1.00 5.10 O ATOM 1090 ND2 ASN A 121 10.552 9.893 -2.352 1.00 34.03 N ATOM 0 H ASN A 121 7.099 8.668 -1.437 1.00 55.51 H new ATOM 0 HA ASN A 121 7.600 10.152 0.957 1.00 12.53 H new ATOM 0 HB2 ASN A 121 9.737 10.703 -0.123 1.00 21.32 H new ATOM 0 HB3 ASN A 121 9.388 8.989 -0.015 1.00 21.32 H new ATOM 0 HD21 ASN A 121 10.808 9.731 -3.326 1.00 34.03 H new ATOM 0 HD22 ASN A 121 11.267 10.153 -1.673 1.00 34.03 H new ATOM 1097 N LEU A 122 6.387 11.798 -1.397 1.00 64.54 N ATOM 1098 CA LEU A 122 5.847 13.072 -1.778 1.00 50.30 C ATOM 1099 C LEU A 122 4.762 13.511 -0.757 1.00 53.43 C ATOM 1100 O LEU A 122 4.816 14.617 -0.199 1.00 14.13 O ATOM 1101 CB LEU A 122 5.300 12.964 -3.227 1.00 70.11 C ATOM 1102 CG LEU A 122 4.152 13.886 -3.648 1.00 31.54 C ATOM 1103 CD1 LEU A 122 4.530 15.359 -3.539 1.00 12.13 C ATOM 1104 CD2 LEU A 122 3.724 13.566 -5.066 1.00 54.21 C ATOM 0 H LEU A 122 6.020 11.013 -1.936 1.00 64.54 H new ATOM 0 HA LEU A 122 6.618 13.843 -1.766 1.00 50.30 H new ATOM 0 HB2 LEU A 122 6.132 13.139 -3.909 1.00 70.11 H new ATOM 0 HB3 LEU A 122 4.972 11.936 -3.381 1.00 70.11 H new ATOM 0 HG LEU A 122 3.322 13.709 -2.964 1.00 31.54 H new ATOM 0 HD11 LEU A 122 3.686 15.975 -3.848 1.00 12.13 H new ATOM 0 HD12 LEU A 122 4.791 15.592 -2.507 1.00 12.13 H new ATOM 0 HD13 LEU A 122 5.384 15.564 -4.185 1.00 12.13 H new ATOM 0 HD21 LEU A 122 2.907 14.226 -5.357 1.00 54.21 H new ATOM 0 HD22 LEU A 122 4.567 13.711 -5.742 1.00 54.21 H new ATOM 0 HD23 LEU A 122 3.390 12.530 -5.120 1.00 54.21 H new ATOM 1116 N LYS A 123 3.809 12.641 -0.507 1.00 53.15 N ATOM 1117 CA LYS A 123 2.673 12.949 0.358 1.00 61.13 C ATOM 1118 C LYS A 123 2.715 12.270 1.726 1.00 21.45 C ATOM 1119 O LYS A 123 2.420 12.882 2.740 1.00 11.25 O ATOM 1120 CB LYS A 123 1.335 12.729 -0.385 1.00 54.53 C ATOM 1121 CG LYS A 123 1.393 11.709 -1.514 1.00 3.24 C ATOM 1122 CD LYS A 123 0.159 11.721 -2.413 1.00 74.21 C ATOM 1123 CE LYS A 123 -1.140 11.513 -1.658 1.00 60.21 C ATOM 1124 NZ LYS A 123 -2.307 11.381 -2.566 1.00 12.52 N ATOM 0 H LYS A 123 3.792 11.697 -0.894 1.00 53.15 H new ATOM 0 HA LYS A 123 2.753 14.010 0.594 1.00 61.13 H new ATOM 0 HB2 LYS A 123 0.583 12.409 0.336 1.00 54.53 H new ATOM 0 HB3 LYS A 123 1.001 13.683 -0.793 1.00 54.53 H new ATOM 0 HG2 LYS A 123 2.277 11.902 -2.122 1.00 3.24 H new ATOM 0 HG3 LYS A 123 1.511 10.713 -1.087 1.00 3.24 H new ATOM 0 HD2 LYS A 123 0.114 12.673 -2.943 1.00 74.21 H new ATOM 0 HD3 LYS A 123 0.261 10.941 -3.167 1.00 74.21 H new ATOM 0 HE2 LYS A 123 -1.060 10.618 -1.042 1.00 60.21 H new ATOM 0 HE3 LYS A 123 -1.302 12.352 -0.982 1.00 60.21 H new ATOM 0 HZ1 LYS A 123 -3.094 10.931 -2.057 1.00 12.52 H new ATOM 0 HZ2 LYS A 123 -2.601 12.323 -2.893 1.00 12.52 H new ATOM 0 HZ3 LYS A 123 -2.045 10.796 -3.385 1.00 12.52 H new ATOM 1138 N TYR A 124 3.094 11.037 1.733 1.00 72.21 N ATOM 1139 CA TYR A 124 3.114 10.204 2.945 1.00 44.43 C ATOM 1140 C TYR A 124 4.383 10.429 3.759 1.00 21.23 C ATOM 1141 O TYR A 124 4.315 10.670 4.955 1.00 51.20 O ATOM 1142 CB TYR A 124 3.023 8.729 2.573 1.00 35.42 C ATOM 1143 CG TYR A 124 1.724 8.304 1.937 1.00 63.04 C ATOM 1144 CD1 TYR A 124 1.276 8.888 0.767 1.00 32.14 C ATOM 1145 CD2 TYR A 124 0.960 7.299 2.495 1.00 43.31 C ATOM 1146 CE1 TYR A 124 0.108 8.499 0.184 1.00 14.21 C ATOM 1147 CE2 TYR A 124 -0.207 6.905 1.906 1.00 31.55 C ATOM 1148 CZ TYR A 124 -0.631 7.504 0.760 1.00 54.40 C ATOM 1149 OH TYR A 124 -1.810 7.106 0.206 1.00 41.13 O ATOM 0 H TYR A 124 3.409 10.547 0.896 1.00 72.21 H new ATOM 0 HA TYR A 124 2.254 10.492 3.550 1.00 44.43 H new ATOM 0 HB2 TYR A 124 3.838 8.493 1.889 1.00 35.42 H new ATOM 0 HB3 TYR A 124 3.180 8.134 3.473 1.00 35.42 H new ATOM 0 HD1 TYR A 124 1.864 9.668 0.306 1.00 32.14 H new ATOM 0 HD2 TYR A 124 1.288 6.820 3.406 1.00 43.31 H new ATOM 0 HE1 TYR A 124 -0.231 8.973 -0.725 1.00 14.21 H new ATOM 0 HE2 TYR A 124 -0.795 6.116 2.351 1.00 31.55 H new ATOM 0 HH TYR A 124 -2.223 6.422 0.773 1.00 41.13 H new ATOM 1159 N HIS A 125 5.544 10.310 3.114 1.00 12.51 N ATOM 1160 CA HIS A 125 6.832 10.559 3.785 1.00 44.13 C ATOM 1161 C HIS A 125 7.547 11.746 3.134 1.00 14.24 C ATOM 1162 O HIS A 125 8.537 11.559 2.471 1.00 23.33 O ATOM 1163 CB HIS A 125 7.771 9.322 3.723 1.00 3.21 C ATOM 1164 CG HIS A 125 7.289 8.057 4.394 1.00 53.41 C ATOM 1165 ND1 HIS A 125 6.578 8.001 5.573 1.00 32.32 N ATOM 1166 CD2 HIS A 125 7.411 6.781 3.972 1.00 5.34 C ATOM 1167 CE1 HIS A 125 6.284 6.725 5.827 1.00 24.53 C ATOM 1168 NE2 HIS A 125 6.776 5.912 4.851 1.00 64.13 N ATOM 0 H HIS A 125 5.625 10.044 2.133 1.00 12.51 H new ATOM 0 HA HIS A 125 6.608 10.774 4.830 1.00 44.13 H new ATOM 0 HB2 HIS A 125 7.964 9.096 2.674 1.00 3.21 H new ATOM 0 HB3 HIS A 125 8.726 9.599 4.170 1.00 3.21 H new ATOM 0 HD1 HIS A 125 6.320 8.800 6.153 1.00 32.32 H new ATOM 0 HD2 HIS A 125 7.930 6.477 3.075 1.00 5.34 H new ATOM 0 HE1 HIS A 125 5.731 6.383 6.689 1.00 24.53 H new ATOM 1176 N PRO A 126 7.034 12.967 3.295 1.00 51.04 N ATOM 1177 CA PRO A 126 7.582 14.150 2.638 1.00 63.31 C ATOM 1178 C PRO A 126 8.889 14.659 3.235 1.00 22.31 C ATOM 1179 O PRO A 126 9.105 14.625 4.456 1.00 42.01 O ATOM 1180 CB PRO A 126 6.479 15.178 2.802 1.00 52.30 C ATOM 1181 CG PRO A 126 5.829 14.786 4.078 1.00 12.12 C ATOM 1182 CD PRO A 126 5.881 13.301 4.117 1.00 75.44 C ATOM 0 HA PRO A 126 7.849 13.931 1.604 1.00 63.31 H new ATOM 0 HB2 PRO A 126 6.878 16.191 2.849 1.00 52.30 H new ATOM 0 HB3 PRO A 126 5.777 15.150 1.969 1.00 52.30 H new ATOM 0 HG2 PRO A 126 6.350 15.218 4.932 1.00 12.12 H new ATOM 0 HG3 PRO A 126 4.800 15.143 4.119 1.00 12.12 H new ATOM 0 HD2 PRO A 126 5.997 12.932 5.136 1.00 75.44 H new ATOM 0 HD3 PRO A 126 4.967 12.859 3.721 1.00 75.44 H new ATOM 1190 N GLY A 127 9.749 15.130 2.362 1.00 4.21 N ATOM 1191 CA GLY A 127 11.005 15.679 2.765 1.00 44.15 C ATOM 1192 C GLY A 127 12.008 15.682 1.638 1.00 22.43 C ATOM 1193 O GLY A 127 12.734 16.653 1.451 1.00 62.15 O ATOM 0 H GLY A 127 9.590 15.139 1.355 1.00 4.21 H new ATOM 0 HA2 GLY A 127 10.857 16.698 3.122 1.00 44.15 H new ATOM 0 HA3 GLY A 127 11.401 15.103 3.601 1.00 44.15 H new ATOM 1197 N GLU A 128 12.024 14.616 0.879 1.00 63.54 N ATOM 1198 CA GLU A 128 12.949 14.439 -0.228 1.00 24.42 C ATOM 1199 C GLU A 128 12.386 13.393 -1.148 1.00 63.11 C ATOM 1200 O GLU A 128 11.328 12.826 -0.851 1.00 61.02 O ATOM 1201 CB GLU A 128 14.360 14.069 0.304 1.00 1.12 C ATOM 1202 CG GLU A 128 14.434 12.826 1.182 1.00 71.23 C ATOM 1203 CD GLU A 128 14.877 11.595 0.446 1.00 53.24 C ATOM 1204 OE1 GLU A 128 14.050 10.919 -0.156 1.00 73.25 O ATOM 1205 OE2 GLU A 128 16.095 11.309 0.434 1.00 2.50 O ATOM 0 H GLU A 128 11.387 13.830 1.009 1.00 63.54 H new ATOM 0 HA GLU A 128 13.066 15.366 -0.789 1.00 24.42 H new ATOM 0 HB2 GLU A 128 15.024 13.928 -0.549 1.00 1.12 H new ATOM 0 HB3 GLU A 128 14.747 14.915 0.872 1.00 1.12 H new ATOM 0 HG2 GLU A 128 15.123 13.014 2.006 1.00 71.23 H new ATOM 0 HG3 GLU A 128 13.453 12.643 1.622 1.00 71.23 H new ATOM 1212 N GLU A 129 13.021 13.147 -2.264 1.00 23.14 N ATOM 1213 CA GLU A 129 12.523 12.118 -3.127 1.00 2.23 C ATOM 1214 C GLU A 129 13.639 11.204 -3.533 1.00 52.13 C ATOM 1215 O GLU A 129 14.344 11.467 -4.523 1.00 21.04 O ATOM 1216 CB GLU A 129 11.883 12.702 -4.369 1.00 45.25 C ATOM 1217 CG GLU A 129 11.182 11.655 -5.217 1.00 11.12 C ATOM 1218 CD GLU A 129 10.715 12.163 -6.546 1.00 53.51 C ATOM 1219 OE1 GLU A 129 9.656 12.812 -6.624 1.00 64.24 O ATOM 1220 OE2 GLU A 129 11.388 11.886 -7.556 1.00 45.14 O ATOM 0 H GLU A 129 13.859 13.631 -2.587 1.00 23.14 H new ATOM 0 HA GLU A 129 11.767 11.560 -2.575 1.00 2.23 H new ATOM 0 HB2 GLU A 129 11.164 13.467 -4.076 1.00 45.25 H new ATOM 0 HB3 GLU A 129 12.648 13.196 -4.968 1.00 45.25 H new ATOM 0 HG2 GLU A 129 11.861 10.818 -5.377 1.00 11.12 H new ATOM 0 HG3 GLU A 129 10.325 11.269 -4.665 1.00 11.12 H new ATOM 1227 N ASN A 130 13.828 10.154 -2.762 1.00 11.22 N ATOM 1228 CA ASN A 130 14.856 9.169 -3.013 1.00 21.11 C ATOM 1229 C ASN A 130 14.439 7.851 -2.428 1.00 14.41 C ATOM 1230 O ASN A 130 14.642 7.581 -1.242 1.00 60.21 O ATOM 1231 CB ASN A 130 16.185 9.597 -2.354 1.00 52.02 C ATOM 1232 CG ASN A 130 16.710 10.902 -2.898 1.00 4.11 C ATOM 1233 OD1 ASN A 130 16.281 11.983 -2.297 1.00 60.03 O flip ATOM 1234 ND2 ASN A 130 17.476 10.932 -3.858 1.00 54.15 N flip ATOM 0 H ASN A 130 13.265 9.959 -1.934 1.00 11.22 H new ATOM 0 HA ASN A 130 14.995 9.081 -4.090 1.00 21.11 H new ATOM 0 HB2 ASN A 130 16.039 9.689 -1.278 1.00 52.02 H new ATOM 0 HB3 ASN A 130 16.931 8.817 -2.509 1.00 52.02 H new ATOM 0 HD21 ASN A 130 17.783 10.062 -4.293 1.00 54.15 H new ATOM 0 HD22 ASN A 130 17.805 11.827 -4.220 1.00 54.15 H new ATOM 1241 N PHE A 131 13.836 7.060 -3.228 1.00 12.43 N ATOM 1242 CA PHE A 131 13.437 5.748 -2.848 1.00 10.32 C ATOM 1243 C PHE A 131 14.365 4.748 -3.491 1.00 12.25 C ATOM 1244 O PHE A 131 14.870 4.979 -4.599 1.00 53.51 O ATOM 1245 CB PHE A 131 12.002 5.475 -3.266 1.00 74.12 C ATOM 1246 CG PHE A 131 10.977 5.506 -2.155 1.00 43.53 C ATOM 1247 CD1 PHE A 131 10.890 4.462 -1.266 1.00 64.32 C ATOM 1248 CD2 PHE A 131 10.061 6.525 -2.053 1.00 5.41 C ATOM 1249 CE1 PHE A 131 9.911 4.426 -0.299 1.00 64.31 C ATOM 1250 CE2 PHE A 131 9.084 6.505 -1.064 1.00 25.42 C ATOM 1251 CZ PHE A 131 9.010 5.450 -0.196 1.00 13.45 C ATOM 0 H PHE A 131 13.597 7.305 -4.189 1.00 12.43 H new ATOM 0 HA PHE A 131 13.492 5.659 -1.763 1.00 10.32 H new ATOM 0 HB2 PHE A 131 11.717 6.210 -4.019 1.00 74.12 H new ATOM 0 HB3 PHE A 131 11.962 4.496 -3.744 1.00 74.12 H new ATOM 0 HD1 PHE A 131 11.604 3.654 -1.327 1.00 64.32 H new ATOM 0 HD2 PHE A 131 10.100 7.350 -2.748 1.00 5.41 H new ATOM 0 HE1 PHE A 131 9.854 3.588 0.380 1.00 64.31 H new ATOM 0 HE2 PHE A 131 8.383 7.323 -0.981 1.00 25.42 H new ATOM 0 HZ PHE A 131 8.245 5.426 0.566 1.00 13.45 H new ATOM 1261 N LYS A 132 14.611 3.682 -2.805 1.00 2.13 N ATOM 1262 CA LYS A 132 15.468 2.640 -3.278 1.00 34.33 C ATOM 1263 C LYS A 132 14.590 1.424 -3.550 1.00 11.44 C ATOM 1264 O LYS A 132 13.474 1.362 -3.059 1.00 21.14 O ATOM 1265 CB LYS A 132 16.522 2.296 -2.209 1.00 51.42 C ATOM 1266 CG LYS A 132 16.128 1.155 -1.292 1.00 55.44 C ATOM 1267 CD LYS A 132 17.220 0.788 -0.337 1.00 35.02 C ATOM 1268 CE LYS A 132 16.963 -0.597 0.212 1.00 34.22 C ATOM 1269 NZ LYS A 132 17.982 -1.016 1.189 1.00 64.35 N ATOM 0 H LYS A 132 14.216 3.505 -1.882 1.00 2.13 H new ATOM 0 HA LYS A 132 15.992 2.952 -4.181 1.00 34.33 H new ATOM 0 HB2 LYS A 132 17.458 2.041 -2.706 1.00 51.42 H new ATOM 0 HB3 LYS A 132 16.714 3.183 -1.605 1.00 51.42 H new ATOM 0 HG2 LYS A 132 15.237 1.435 -0.730 1.00 55.44 H new ATOM 0 HG3 LYS A 132 15.866 0.284 -1.892 1.00 55.44 H new ATOM 0 HD2 LYS A 132 18.185 0.817 -0.843 1.00 35.02 H new ATOM 0 HD3 LYS A 132 17.264 1.511 0.477 1.00 35.02 H new ATOM 0 HE2 LYS A 132 15.981 -0.620 0.684 1.00 34.22 H new ATOM 0 HE3 LYS A 132 16.938 -1.311 -0.611 1.00 34.22 H new ATOM 0 HZ1 LYS A 132 17.760 -1.971 1.534 1.00 64.35 H new ATOM 0 HZ2 LYS A 132 18.917 -1.021 0.734 1.00 64.35 H new ATOM 0 HZ3 LYS A 132 17.990 -0.352 1.989 1.00 64.35 H new ATOM 1283 N LEU A 133 15.091 0.460 -4.263 1.00 32.43 N ATOM 1284 CA LEU A 133 14.309 -0.701 -4.572 1.00 40.44 C ATOM 1285 C LEU A 133 15.045 -1.929 -4.109 1.00 33.13 C ATOM 1286 O LEU A 133 16.234 -2.085 -4.380 1.00 44.04 O ATOM 1287 CB LEU A 133 13.951 -0.807 -6.081 1.00 15.02 C ATOM 1288 CG LEU A 133 15.113 -0.832 -7.101 1.00 43.44 C ATOM 1289 CD1 LEU A 133 14.625 -1.398 -8.425 1.00 62.11 C ATOM 1290 CD2 LEU A 133 15.663 0.573 -7.343 1.00 51.43 C ATOM 0 H LEU A 133 16.038 0.454 -4.642 1.00 32.43 H new ATOM 0 HA LEU A 133 13.360 -0.613 -4.044 1.00 40.44 H new ATOM 0 HB2 LEU A 133 13.363 -1.714 -6.222 1.00 15.02 H new ATOM 0 HB3 LEU A 133 13.305 0.034 -6.331 1.00 15.02 H new ATOM 0 HG LEU A 133 15.905 -1.458 -6.690 1.00 43.44 H new ATOM 0 HD11 LEU A 133 15.448 -1.413 -9.140 1.00 62.11 H new ATOM 0 HD12 LEU A 133 14.257 -2.413 -8.273 1.00 62.11 H new ATOM 0 HD13 LEU A 133 13.819 -0.774 -8.812 1.00 62.11 H new ATOM 0 HD21 LEU A 133 16.479 0.525 -8.064 1.00 51.43 H new ATOM 0 HD22 LEU A 133 14.871 1.212 -7.733 1.00 51.43 H new ATOM 0 HD23 LEU A 133 16.032 0.986 -6.404 1.00 51.43 H new ATOM 1302 N THR A 134 14.376 -2.761 -3.376 1.00 33.22 N ATOM 1303 CA THR A 134 14.943 -3.968 -2.902 1.00 24.01 C ATOM 1304 C THR A 134 13.872 -5.044 -2.984 1.00 1.11 C ATOM 1305 O THR A 134 12.821 -4.916 -2.391 1.00 51.11 O ATOM 1306 CB THR A 134 15.494 -3.782 -1.439 1.00 42.11 C ATOM 1307 OG1 THR A 134 16.100 -4.984 -0.950 1.00 72.12 O ATOM 1308 CG2 THR A 134 14.423 -3.297 -0.459 1.00 25.34 C ATOM 0 H THR A 134 13.408 -2.613 -3.090 1.00 33.22 H new ATOM 0 HA THR A 134 15.796 -4.265 -3.512 1.00 24.01 H new ATOM 0 HB THR A 134 16.255 -3.004 -1.503 1.00 42.11 H new ATOM 0 HG1 THR A 134 16.434 -4.836 -0.041 1.00 72.12 H new ATOM 0 HG21 THR A 134 14.861 -3.187 0.533 1.00 25.34 H new ATOM 0 HG22 THR A 134 14.033 -2.335 -0.793 1.00 25.34 H new ATOM 0 HG23 THR A 134 13.611 -4.023 -0.419 1.00 25.34 H new ATOM 1316 N MET A 135 14.064 -6.071 -3.760 1.00 31.33 N ATOM 1317 CA MET A 135 12.990 -7.010 -3.828 1.00 1.40 C ATOM 1318 C MET A 135 13.295 -8.119 -2.891 1.00 41.04 C ATOM 1319 O MET A 135 14.163 -8.960 -3.158 1.00 61.14 O ATOM 1320 CB MET A 135 12.894 -7.542 -5.253 1.00 53.45 C ATOM 1321 CG MET A 135 11.719 -8.459 -5.544 1.00 13.10 C ATOM 1322 SD MET A 135 11.753 -9.029 -7.256 1.00 32.13 S ATOM 1323 CE MET A 135 10.217 -9.946 -7.367 1.00 64.15 C ATOM 0 H MET A 135 14.894 -6.271 -4.318 1.00 31.33 H new ATOM 0 HA MET A 135 12.042 -6.545 -3.557 1.00 1.40 H new ATOM 0 HB2 MET A 135 12.844 -6.692 -5.934 1.00 53.45 H new ATOM 0 HB3 MET A 135 13.814 -8.080 -5.482 1.00 53.45 H new ATOM 0 HG2 MET A 135 11.746 -9.316 -4.871 1.00 13.10 H new ATOM 0 HG3 MET A 135 10.785 -7.932 -5.351 1.00 13.10 H new ATOM 0 HE1 MET A 135 9.957 -10.094 -8.415 1.00 64.15 H new ATOM 0 HE2 MET A 135 10.336 -10.915 -6.882 1.00 64.15 H new ATOM 0 HE3 MET A 135 9.423 -9.387 -6.872 1.00 64.15 H new ATOM 1333 N VAL A 136 12.605 -8.106 -1.793 1.00 32.53 N ATOM 1334 CA VAL A 136 12.661 -9.131 -0.803 1.00 33.13 C ATOM 1335 C VAL A 136 11.325 -9.219 -0.119 1.00 64.34 C ATOM 1336 O VAL A 136 10.981 -8.342 0.600 1.00 23.45 O ATOM 1337 CB VAL A 136 13.807 -8.893 0.256 1.00 35.45 C ATOM 1338 CG1 VAL A 136 15.133 -9.433 -0.252 1.00 1.23 C ATOM 1339 CG2 VAL A 136 13.964 -7.397 0.565 1.00 34.13 C ATOM 0 H VAL A 136 11.963 -7.350 -1.555 1.00 32.53 H new ATOM 0 HA VAL A 136 12.895 -10.071 -1.303 1.00 33.13 H new ATOM 0 HB VAL A 136 13.525 -9.423 1.166 1.00 35.45 H new ATOM 0 HG11 VAL A 136 15.907 -9.258 0.495 1.00 1.23 H new ATOM 0 HG12 VAL A 136 15.043 -10.503 -0.437 1.00 1.23 H new ATOM 0 HG13 VAL A 136 15.401 -8.926 -1.179 1.00 1.23 H new ATOM 0 HG21 VAL A 136 14.759 -7.258 1.297 1.00 34.13 H new ATOM 0 HG22 VAL A 136 14.216 -6.861 -0.350 1.00 34.13 H new ATOM 0 HG23 VAL A 136 13.029 -7.009 0.968 1.00 34.13 H new ATOM 1349 N LYS A 137 10.572 -10.216 -0.316 1.00 43.03 N ATOM 1350 CA LYS A 137 9.378 -10.316 0.472 1.00 12.43 C ATOM 1351 C LYS A 137 9.225 -11.722 0.876 1.00 54.25 C ATOM 1352 O LYS A 137 9.194 -12.621 0.036 1.00 74.43 O ATOM 1353 CB LYS A 137 8.171 -9.796 -0.230 1.00 44.23 C ATOM 1354 CG LYS A 137 6.996 -9.433 0.672 1.00 63.33 C ATOM 1355 CD LYS A 137 7.305 -8.152 1.457 1.00 31.12 C ATOM 1356 CE LYS A 137 6.068 -7.551 2.130 1.00 73.42 C ATOM 1357 NZ LYS A 137 5.679 -8.283 3.360 1.00 64.32 N ATOM 0 H LYS A 137 10.733 -10.965 -0.989 1.00 43.03 H new ATOM 0 HA LYS A 137 9.474 -9.682 1.353 1.00 12.43 H new ATOM 0 HB2 LYS A 137 8.456 -8.912 -0.801 1.00 44.23 H new ATOM 0 HB3 LYS A 137 7.838 -10.545 -0.948 1.00 44.23 H new ATOM 0 HG2 LYS A 137 6.097 -9.292 0.071 1.00 63.33 H new ATOM 0 HG3 LYS A 137 6.792 -10.251 1.363 1.00 63.33 H new ATOM 0 HD2 LYS A 137 8.056 -8.370 2.217 1.00 31.12 H new ATOM 0 HD3 LYS A 137 7.739 -7.414 0.782 1.00 31.12 H new ATOM 0 HE2 LYS A 137 6.264 -6.508 2.378 1.00 73.42 H new ATOM 0 HE3 LYS A 137 5.235 -7.560 1.427 1.00 73.42 H new ATOM 0 HZ1 LYS A 137 4.650 -8.434 3.363 1.00 64.32 H new ATOM 0 HZ2 LYS A 137 6.164 -9.202 3.385 1.00 64.32 H new ATOM 0 HZ3 LYS A 137 5.949 -7.726 4.196 1.00 64.32 H new ATOM 1371 N ARG A 138 9.142 -11.929 2.122 1.00 34.23 N ATOM 1372 CA ARG A 138 9.189 -13.227 2.656 1.00 73.31 C ATOM 1373 C ARG A 138 7.869 -13.538 3.318 1.00 2.31 C ATOM 1374 O ARG A 138 7.200 -12.624 3.791 1.00 33.11 O ATOM 1375 CB ARG A 138 10.389 -13.339 3.631 1.00 73.13 C ATOM 1376 CG ARG A 138 11.769 -12.996 2.991 1.00 52.33 C ATOM 1377 CD ARG A 138 12.022 -11.469 2.806 1.00 22.21 C ATOM 1378 NE ARG A 138 12.130 -10.725 4.083 1.00 33.32 N ATOM 1379 CZ ARG A 138 12.036 -9.368 4.235 1.00 22.52 C ATOM 1380 NH1 ARG A 138 11.683 -8.578 3.214 1.00 33.14 N ATOM 1381 NH2 ARG A 138 12.268 -8.826 5.427 1.00 13.21 N ATOM 0 H ARG A 138 9.037 -11.190 2.817 1.00 34.23 H new ATOM 0 HA ARG A 138 9.342 -13.966 1.870 1.00 73.31 H new ATOM 0 HB2 ARG A 138 10.218 -12.673 4.477 1.00 73.13 H new ATOM 0 HB3 ARG A 138 10.427 -14.354 4.027 1.00 73.13 H new ATOM 0 HG2 ARG A 138 12.560 -13.412 3.615 1.00 52.33 H new ATOM 0 HG3 ARG A 138 11.839 -13.485 2.020 1.00 52.33 H new ATOM 0 HD2 ARG A 138 12.940 -11.328 2.235 1.00 22.21 H new ATOM 0 HD3 ARG A 138 11.210 -11.044 2.215 1.00 22.21 H new ATOM 0 HE ARG A 138 12.289 -11.275 4.927 1.00 33.32 H new ATOM 0 HH11 ARG A 138 11.478 -8.985 2.301 1.00 33.14 H new ATOM 0 HH12 ARG A 138 11.619 -7.569 3.348 1.00 33.14 H new ATOM 0 HH21 ARG A 138 12.514 -9.421 6.219 1.00 13.21 H new ATOM 0 HH22 ARG A 138 12.200 -7.816 5.550 1.00 13.21 H new ATOM 1395 N ASN A 139 7.452 -14.810 3.249 1.00 11.44 N ATOM 1396 CA ASN A 139 6.194 -15.309 3.867 1.00 31.35 C ATOM 1397 C ASN A 139 4.956 -14.823 3.135 1.00 45.43 C ATOM 1398 O ASN A 139 3.827 -15.039 3.584 1.00 62.50 O ATOM 1399 CB ASN A 139 6.109 -14.960 5.368 1.00 74.44 C ATOM 1400 CG ASN A 139 7.121 -15.712 6.196 1.00 71.42 C ATOM 1401 OD1 ASN A 139 7.451 -16.860 5.899 1.00 33.42 O ATOM 1402 ND2 ASN A 139 7.645 -15.078 7.211 1.00 70.33 N ATOM 0 H ASN A 139 7.976 -15.536 2.760 1.00 11.44 H new ATOM 0 HA ASN A 139 6.225 -16.395 3.775 1.00 31.35 H new ATOM 0 HB2 ASN A 139 6.263 -13.889 5.498 1.00 74.44 H new ATOM 0 HB3 ASN A 139 5.107 -15.185 5.733 1.00 74.44 H new ATOM 0 HD21 ASN A 139 8.352 -15.534 7.787 1.00 70.33 H new ATOM 0 HD22 ASN A 139 7.347 -14.127 7.427 1.00 70.33 H new ATOM 1409 N ASN A 140 5.162 -14.233 1.986 1.00 1.11 N ATOM 1410 CA ASN A 140 4.078 -13.682 1.198 1.00 54.32 C ATOM 1411 C ASN A 140 4.281 -14.087 -0.257 1.00 2.12 C ATOM 1412 O ASN A 140 3.939 -15.190 -0.659 1.00 74.00 O ATOM 1413 CB ASN A 140 4.034 -12.129 1.307 1.00 34.34 C ATOM 1414 CG ASN A 140 3.707 -11.566 2.680 1.00 45.42 C ATOM 1415 OD1 ASN A 140 2.555 -11.317 3.001 1.00 73.32 O ATOM 1416 ND2 ASN A 140 4.725 -11.303 3.471 1.00 53.24 N ATOM 0 H ASN A 140 6.084 -14.118 1.566 1.00 1.11 H new ATOM 0 HA ASN A 140 3.133 -14.071 1.576 1.00 54.32 H new ATOM 0 HB2 ASN A 140 5.002 -11.735 0.996 1.00 34.34 H new ATOM 0 HB3 ASN A 140 3.295 -11.756 0.598 1.00 34.34 H new ATOM 0 HD21 ASN A 140 4.565 -10.878 4.384 1.00 53.24 H new ATOM 0 HD22 ASN A 140 5.674 -11.524 3.171 1.00 53.24 H new ATOM 1423 N GLN A 141 4.925 -13.223 -0.988 1.00 2.31 N ATOM 1424 CA GLN A 141 5.300 -13.413 -2.353 1.00 71.25 C ATOM 1425 C GLN A 141 6.454 -12.523 -2.558 1.00 64.24 C ATOM 1426 O GLN A 141 6.662 -11.669 -1.728 1.00 54.32 O ATOM 1427 CB GLN A 141 4.200 -13.037 -3.355 1.00 35.41 C ATOM 1428 CG GLN A 141 3.716 -11.596 -3.401 1.00 64.25 C ATOM 1429 CD GLN A 141 2.708 -11.230 -2.335 1.00 4.33 C ATOM 1430 OE1 GLN A 141 1.507 -11.408 -2.513 1.00 32.41 O ATOM 1431 NE2 GLN A 141 3.163 -10.629 -1.278 1.00 74.43 N ATOM 0 H GLN A 141 5.217 -12.317 -0.623 1.00 2.31 H new ATOM 0 HA GLN A 141 5.510 -14.468 -2.529 1.00 71.25 H new ATOM 0 HB2 GLN A 141 4.557 -13.298 -4.351 1.00 35.41 H new ATOM 0 HB3 GLN A 141 3.336 -13.670 -3.150 1.00 35.41 H new ATOM 0 HG2 GLN A 141 4.578 -10.935 -3.308 1.00 64.25 H new ATOM 0 HG3 GLN A 141 3.274 -11.407 -4.379 1.00 64.25 H new ATOM 0 HE21 GLN A 141 4.167 -10.496 -1.159 1.00 74.43 H new ATOM 0 HE22 GLN A 141 2.516 -10.289 -0.566 1.00 74.43 H new ATOM 1440 N THR A 142 7.165 -12.648 -3.628 1.00 1.45 N ATOM 1441 CA THR A 142 8.283 -11.803 -3.816 1.00 34.43 C ATOM 1442 C THR A 142 7.890 -10.585 -4.628 1.00 4.43 C ATOM 1443 O THR A 142 7.533 -10.636 -5.812 1.00 75.21 O ATOM 1444 CB THR A 142 9.494 -12.554 -4.371 1.00 11.31 C ATOM 1445 OG1 THR A 142 9.073 -13.435 -5.421 1.00 33.32 O ATOM 1446 CG2 THR A 142 10.187 -13.349 -3.244 1.00 55.14 C ATOM 0 H THR A 142 6.991 -13.321 -4.375 1.00 1.45 H new ATOM 0 HA THR A 142 8.611 -11.440 -2.842 1.00 34.43 H new ATOM 0 HB THR A 142 10.209 -11.837 -4.776 1.00 11.31 H new ATOM 0 HG1 THR A 142 9.850 -13.914 -5.777 1.00 33.32 H new ATOM 0 HG21 THR A 142 11.048 -13.880 -3.650 1.00 55.14 H new ATOM 0 HG22 THR A 142 10.518 -12.662 -2.465 1.00 55.14 H new ATOM 0 HG23 THR A 142 9.485 -14.067 -2.820 1.00 55.14 H new ATOM 1454 N ILE A 143 7.912 -9.516 -3.923 1.00 44.32 N ATOM 1455 CA ILE A 143 7.470 -8.229 -4.314 1.00 53.14 C ATOM 1456 C ILE A 143 8.547 -7.220 -3.961 1.00 44.11 C ATOM 1457 O ILE A 143 9.397 -7.507 -3.105 1.00 73.23 O ATOM 1458 CB ILE A 143 6.056 -7.879 -3.749 1.00 23.13 C ATOM 1459 CG1 ILE A 143 5.954 -8.107 -2.297 1.00 23.32 C ATOM 1460 CG2 ILE A 143 4.957 -8.618 -4.439 1.00 24.14 C ATOM 1461 CD1 ILE A 143 6.517 -6.974 -1.521 1.00 10.41 C ATOM 0 H ILE A 143 8.273 -9.520 -2.969 1.00 44.32 H new ATOM 0 HA ILE A 143 7.325 -8.204 -5.394 1.00 53.14 H new ATOM 0 HB ILE A 143 5.934 -6.814 -3.946 1.00 23.13 H new ATOM 0 HG12 ILE A 143 4.909 -8.251 -2.024 1.00 23.32 H new ATOM 0 HG13 ILE A 143 6.481 -9.025 -2.035 1.00 23.32 H new ATOM 0 HG21 ILE A 143 3.999 -8.334 -4.004 1.00 24.14 H new ATOM 0 HG22 ILE A 143 4.962 -8.369 -5.500 1.00 24.14 H new ATOM 0 HG23 ILE A 143 5.107 -9.691 -4.317 1.00 24.14 H new ATOM 0 HD11 ILE A 143 6.423 -7.181 -0.455 1.00 10.41 H new ATOM 0 HD12 ILE A 143 7.570 -6.847 -1.774 1.00 10.41 H new ATOM 0 HD13 ILE A 143 5.973 -6.061 -1.763 1.00 10.41 H new ATOM 1473 N PHE A 144 8.573 -6.122 -4.637 1.00 15.33 N ATOM 1474 CA PHE A 144 9.648 -5.180 -4.533 1.00 11.50 C ATOM 1475 C PHE A 144 9.354 -4.222 -3.416 1.00 1.41 C ATOM 1476 O PHE A 144 8.317 -3.560 -3.403 1.00 65.41 O ATOM 1477 CB PHE A 144 9.702 -4.347 -5.817 1.00 71.41 C ATOM 1478 CG PHE A 144 10.036 -5.088 -7.066 1.00 75.21 C ATOM 1479 CD1 PHE A 144 9.055 -5.761 -7.785 1.00 60.22 C ATOM 1480 CD2 PHE A 144 11.322 -5.079 -7.544 1.00 3.45 C ATOM 1481 CE1 PHE A 144 9.367 -6.413 -8.961 1.00 61.32 C ATOM 1482 CE2 PHE A 144 11.646 -5.731 -8.715 1.00 2.13 C ATOM 1483 CZ PHE A 144 10.666 -6.397 -9.427 1.00 24.22 C ATOM 0 H PHE A 144 7.839 -5.844 -5.289 1.00 15.33 H new ATOM 0 HA PHE A 144 10.581 -5.718 -4.362 1.00 11.50 H new ATOM 0 HB2 PHE A 144 8.735 -3.864 -5.953 1.00 71.41 H new ATOM 0 HB3 PHE A 144 10.438 -3.555 -5.681 1.00 71.41 H new ATOM 0 HD1 PHE A 144 8.039 -5.774 -7.420 1.00 60.22 H new ATOM 0 HD2 PHE A 144 12.091 -4.554 -6.996 1.00 3.45 H new ATOM 0 HE1 PHE A 144 8.599 -6.933 -9.514 1.00 61.32 H new ATOM 0 HE2 PHE A 144 12.664 -5.721 -9.075 1.00 2.13 H new ATOM 0 HZ PHE A 144 10.917 -6.904 -10.347 1.00 24.22 H new ATOM 1493 N GLU A 145 10.254 -4.169 -2.481 1.00 32.33 N ATOM 1494 CA GLU A 145 10.115 -3.319 -1.367 1.00 1.04 C ATOM 1495 C GLU A 145 10.855 -2.050 -1.687 1.00 13.24 C ATOM 1496 O GLU A 145 11.962 -2.081 -2.229 1.00 63.24 O ATOM 1497 CB GLU A 145 10.657 -3.968 -0.070 1.00 24.34 C ATOM 1498 CG GLU A 145 10.117 -5.356 0.234 1.00 13.52 C ATOM 1499 CD GLU A 145 10.065 -5.677 1.751 1.00 64.13 C ATOM 1500 OE1 GLU A 145 11.101 -6.042 2.371 1.00 21.34 O ATOM 1501 OE2 GLU A 145 8.970 -5.545 2.359 1.00 11.51 O ATOM 0 H GLU A 145 11.109 -4.725 -2.482 1.00 32.33 H new ATOM 0 HA GLU A 145 9.060 -3.119 -1.181 1.00 1.04 H new ATOM 0 HB2 GLU A 145 11.743 -4.025 -0.138 1.00 24.34 H new ATOM 0 HB3 GLU A 145 10.424 -3.313 0.770 1.00 24.34 H new ATOM 0 HG2 GLU A 145 9.115 -5.448 -0.184 1.00 13.52 H new ATOM 0 HG3 GLU A 145 10.740 -6.098 -0.266 1.00 13.52 H new ATOM 1508 N GLN A 146 10.254 -0.955 -1.411 1.00 63.12 N ATOM 1509 CA GLN A 146 10.835 0.299 -1.740 1.00 30.14 C ATOM 1510 C GLN A 146 11.088 1.070 -0.444 1.00 62.14 C ATOM 1511 O GLN A 146 10.139 1.392 0.295 1.00 13.21 O ATOM 1512 CB GLN A 146 9.887 1.043 -2.696 1.00 12.02 C ATOM 1513 CG GLN A 146 10.589 2.086 -3.527 1.00 71.45 C ATOM 1514 CD GLN A 146 9.725 2.737 -4.569 1.00 2.32 C ATOM 1515 OE1 GLN A 146 9.647 2.285 -5.697 1.00 63.20 O ATOM 1516 NE2 GLN A 146 9.093 3.815 -4.211 1.00 52.50 N ATOM 0 H GLN A 146 9.346 -0.897 -0.951 1.00 63.12 H new ATOM 0 HA GLN A 146 11.792 0.182 -2.249 1.00 30.14 H new ATOM 0 HB2 GLN A 146 9.407 0.322 -3.358 1.00 12.02 H new ATOM 0 HB3 GLN A 146 9.096 1.520 -2.117 1.00 12.02 H new ATOM 0 HG2 GLN A 146 10.981 2.858 -2.864 1.00 71.45 H new ATOM 0 HG3 GLN A 146 11.445 1.624 -4.019 1.00 71.45 H new ATOM 0 HE21 GLN A 146 9.182 4.165 -3.257 1.00 52.50 H new ATOM 0 HE22 GLN A 146 8.508 4.311 -4.884 1.00 52.50 H new ATOM 1525 N THR A 147 12.357 1.281 -0.126 1.00 34.14 N ATOM 1526 CA THR A 147 12.773 1.939 1.118 1.00 61.34 C ATOM 1527 C THR A 147 13.399 3.285 0.819 1.00 71.14 C ATOM 1528 O THR A 147 13.855 3.516 -0.285 1.00 3.41 O ATOM 1529 CB THR A 147 13.821 1.075 1.846 1.00 63.04 C ATOM 1530 OG1 THR A 147 13.980 -0.185 1.145 1.00 1.11 O ATOM 1531 CG2 THR A 147 13.392 0.804 3.287 1.00 42.14 C ATOM 0 H THR A 147 13.136 1.002 -0.722 1.00 34.14 H new ATOM 0 HA THR A 147 11.889 2.070 1.743 1.00 61.34 H new ATOM 0 HB THR A 147 14.768 1.615 1.860 1.00 63.04 H new ATOM 0 HG1 THR A 147 14.322 -0.863 1.764 1.00 1.11 H new ATOM 0 HG21 THR A 147 14.146 0.192 3.782 1.00 42.14 H new ATOM 0 HG22 THR A 147 13.285 1.749 3.819 1.00 42.14 H new ATOM 0 HG23 THR A 147 12.438 0.276 3.290 1.00 42.14 H new ATOM 1539 N ILE A 148 13.417 4.154 1.778 1.00 11.21 N ATOM 1540 CA ILE A 148 13.991 5.470 1.610 1.00 11.22 C ATOM 1541 C ILE A 148 15.313 5.514 2.339 1.00 24.24 C ATOM 1542 O ILE A 148 15.545 4.739 3.266 1.00 41.52 O ATOM 1543 CB ILE A 148 13.063 6.553 2.193 1.00 52.40 C ATOM 1544 CG1 ILE A 148 11.647 6.224 1.778 1.00 5.43 C ATOM 1545 CG2 ILE A 148 13.455 7.906 1.609 1.00 5.43 C ATOM 1546 CD1 ILE A 148 10.558 6.850 2.585 1.00 52.24 C ATOM 0 H ILE A 148 13.035 3.980 2.708 1.00 11.21 H new ATOM 0 HA ILE A 148 14.126 5.664 0.546 1.00 11.22 H new ATOM 0 HB ILE A 148 13.144 6.588 3.279 1.00 52.40 H new ATOM 0 HG12 ILE A 148 11.517 6.523 0.738 1.00 5.43 H new ATOM 0 HG13 ILE A 148 11.522 5.142 1.816 1.00 5.43 H new ATOM 0 HG21 ILE A 148 12.804 8.680 2.015 1.00 5.43 H new ATOM 0 HG22 ILE A 148 14.490 8.129 1.869 1.00 5.43 H new ATOM 0 HG23 ILE A 148 13.352 7.878 0.524 1.00 5.43 H new ATOM 0 HD11 ILE A 148 9.590 6.540 2.192 1.00 52.24 H new ATOM 0 HD12 ILE A 148 10.647 6.533 3.624 1.00 52.24 H new ATOM 0 HD13 ILE A 148 10.642 7.935 2.529 1.00 52.24 H new ATOM 1558 N ASN A 149 16.175 6.385 1.910 1.00 22.04 N ATOM 1559 CA ASN A 149 17.486 6.560 2.503 1.00 35.24 C ATOM 1560 C ASN A 149 17.499 7.746 3.454 1.00 0.34 C ATOM 1561 O ASN A 149 18.555 8.188 3.885 1.00 73.54 O ATOM 1562 CB ASN A 149 18.537 6.758 1.383 1.00 30.10 C ATOM 1563 CG ASN A 149 18.150 7.800 0.322 1.00 62.50 C ATOM 1564 OD1 ASN A 149 17.473 8.861 0.713 1.00 43.10 O flip ATOM 1565 ND2 ASN A 149 18.501 7.655 -0.842 1.00 41.52 N flip ATOM 0 H ASN A 149 15.993 7.010 1.125 1.00 22.04 H new ATOM 0 HA ASN A 149 17.732 5.667 3.078 1.00 35.24 H new ATOM 0 HB2 ASN A 149 19.482 7.055 1.838 1.00 30.10 H new ATOM 0 HB3 ASN A 149 18.708 5.801 0.889 1.00 30.10 H new ATOM 0 HD21 ASN A 149 19.024 6.824 -1.117 1.00 41.52 H new ATOM 0 HD22 ASN A 149 18.270 8.365 -1.537 1.00 41.52 H new ATOM 1572 N ASP A 150 16.327 8.263 3.770 1.00 53.10 N ATOM 1573 CA ASP A 150 16.237 9.474 4.570 1.00 45.53 C ATOM 1574 C ASP A 150 14.961 9.514 5.360 1.00 30.54 C ATOM 1575 O ASP A 150 14.961 9.550 6.587 1.00 73.42 O ATOM 1576 CB ASP A 150 16.262 10.658 3.647 1.00 34.32 C ATOM 1577 CG ASP A 150 16.368 11.973 4.394 1.00 12.12 C ATOM 1578 OD1 ASP A 150 17.496 12.355 4.802 1.00 52.25 O ATOM 1579 OD2 ASP A 150 15.347 12.643 4.593 1.00 24.24 O ATOM 0 H ASP A 150 15.429 7.869 3.489 1.00 53.10 H new ATOM 0 HA ASP A 150 17.076 9.493 5.265 1.00 45.53 H new ATOM 0 HB2 ASP A 150 17.105 10.563 2.962 1.00 34.32 H new ATOM 0 HB3 ASP A 150 15.357 10.661 3.040 1.00 34.32 H new ATOM 1584 N LEU A 151 13.866 9.440 4.638 1.00 23.51 N ATOM 1585 CA LEU A 151 12.500 9.527 5.178 1.00 23.21 C ATOM 1586 C LEU A 151 12.079 8.172 5.752 1.00 72.54 C ATOM 1587 O LEU A 151 10.891 7.889 5.931 1.00 52.22 O ATOM 1588 CB LEU A 151 11.572 9.883 4.034 1.00 70.22 C ATOM 1589 CG LEU A 151 12.003 11.046 3.156 1.00 72.12 C ATOM 1590 CD1 LEU A 151 11.517 10.840 1.739 1.00 74.31 C ATOM 1591 CD2 LEU A 151 11.445 12.327 3.676 1.00 31.44 C ATOM 0 H LEU A 151 13.887 9.314 3.626 1.00 23.51 H new ATOM 0 HA LEU A 151 12.457 10.277 5.968 1.00 23.21 H new ATOM 0 HB2 LEU A 151 11.454 9.003 3.402 1.00 70.22 H new ATOM 0 HB3 LEU A 151 10.590 10.112 4.448 1.00 70.22 H new ATOM 0 HG LEU A 151 13.092 11.093 3.168 1.00 72.12 H new ATOM 0 HD11 LEU A 151 11.832 11.680 1.120 1.00 74.31 H new ATOM 0 HD12 LEU A 151 11.939 9.917 1.340 1.00 74.31 H new ATOM 0 HD13 LEU A 151 10.429 10.774 1.734 1.00 74.31 H new ATOM 0 HD21 LEU A 151 11.764 13.149 3.035 1.00 31.44 H new ATOM 0 HD22 LEU A 151 10.356 12.273 3.683 1.00 31.44 H new ATOM 0 HD23 LEU A 151 11.807 12.496 4.690 1.00 31.44 H new ATOM 1603 N THR A 152 13.066 7.365 6.025 1.00 5.12 N ATOM 1604 CA THR A 152 12.959 6.033 6.553 1.00 32.20 C ATOM 1605 C THR A 152 12.166 6.017 7.871 1.00 74.30 C ATOM 1606 O THR A 152 11.411 5.081 8.154 1.00 13.10 O ATOM 1607 CB THR A 152 14.391 5.549 6.793 1.00 40.41 C ATOM 1608 OG1 THR A 152 15.165 5.910 5.644 1.00 4.31 O ATOM 1609 CG2 THR A 152 14.462 4.044 6.981 1.00 24.05 C ATOM 0 H THR A 152 14.036 7.641 5.873 1.00 5.12 H new ATOM 0 HA THR A 152 12.426 5.386 5.857 1.00 32.20 H new ATOM 0 HB THR A 152 14.771 6.010 7.705 1.00 40.41 H new ATOM 0 HG1 THR A 152 15.072 5.218 4.956 1.00 4.31 H new ATOM 0 HG21 THR A 152 15.497 3.747 7.148 1.00 24.05 H new ATOM 0 HG22 THR A 152 13.858 3.756 7.842 1.00 24.05 H new ATOM 0 HG23 THR A 152 14.082 3.547 6.088 1.00 24.05 H new ATOM 1617 N PHE A 153 12.311 7.064 8.649 1.00 62.12 N ATOM 1618 CA PHE A 153 11.622 7.186 9.917 1.00 1.11 C ATOM 1619 C PHE A 153 11.087 8.590 10.048 1.00 22.42 C ATOM 1620 O PHE A 153 11.590 9.497 9.365 1.00 14.55 O ATOM 1621 CB PHE A 153 12.567 6.875 11.084 1.00 14.54 C ATOM 1622 CG PHE A 153 13.108 5.467 11.092 1.00 5.03 C ATOM 1623 CD1 PHE A 153 12.333 4.417 11.554 1.00 52.42 C ATOM 1624 CD2 PHE A 153 14.388 5.196 10.631 1.00 33.02 C ATOM 1625 CE1 PHE A 153 12.820 3.124 11.558 1.00 22.31 C ATOM 1626 CE2 PHE A 153 14.880 3.906 10.632 1.00 61.03 C ATOM 1627 CZ PHE A 153 14.096 2.869 11.095 1.00 11.25 C ATOM 0 H PHE A 153 12.910 7.858 8.422 1.00 62.12 H new ATOM 0 HA PHE A 153 10.801 6.469 9.948 1.00 1.11 H new ATOM 0 HB2 PHE A 153 13.404 7.572 11.053 1.00 14.54 H new ATOM 0 HB3 PHE A 153 12.038 7.053 12.020 1.00 14.54 H new ATOM 0 HD1 PHE A 153 11.334 4.611 11.916 1.00 52.42 H new ATOM 0 HD2 PHE A 153 15.007 6.003 10.267 1.00 33.02 H new ATOM 0 HE1 PHE A 153 12.204 2.315 11.922 1.00 22.31 H new ATOM 0 HE2 PHE A 153 15.878 3.708 10.270 1.00 61.03 H new ATOM 0 HZ PHE A 153 14.480 1.859 11.095 1.00 11.25 H new TER 1637 PHE A 153 HETATM 1638 ZN ZN A 205 -6.454 -4.227 2.594 1.00 12.24 ZN HETATM 1639 ZN ZN A 305 6.004 4.409 3.879 1.00 1.14 ZN