USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot -51:sc= 1.19 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -179:sc= 0.825 (180deg=0) USER MOD Set 2.1: A 4 GLN : amide:sc= 1.74 K(o=0.43,f=-8.6) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.0677 K(o=0.43,f=-7.3!) USER MOD Set 2.3: A 61 SER OG : rot 37:sc= -1.37 USER MOD Set 3.1: A 7 LYS NZ :NH3+ 161:sc= 2.37 (180deg=1.13) USER MOD Set 3.2: A 9 SER OG : rot -110:sc= 0.885 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.13 (180deg=1.03) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 137:sc= -0.534 (180deg=-2.47!) USER MOD Single : A 17 LYS NZ :NH3+ -126:sc= -0.772 (180deg=-2.48!) USER MOD Single : A 21 TYR OH : rot 150:sc= -0.189 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.07) USER MOD Single : A 29 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.7) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.406 USER MOD Single : A 35 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.078) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.0899 (180deg=-0.477) USER MOD Single : A 40 MET CE :methyl -172:sc= -2.81 (180deg=-2.98) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-0.94) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 1.3 (180deg=1.16) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 1.27 (180deg=0.32) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 22:sc= -2.28 USER MOD Single : A 52 CYS SG : rot 87:sc= -5.07! USER MOD Single : A 53 GLN : amide:sc= -0.922! C(o=-0.92!,f=-3.9!) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.68 F(o=-3.7!,f=-1.7) USER MOD Single : A 59 MET CE :methyl 163:sc= -0.0583 (180deg=-0.716) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.41 F(o=-2.2!,f=-1.4) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-3.1) USER MOD Single : A 76 THR OG1 : rot -110:sc= -0.774 USER MOD Single : A 82 MET CE :methyl 156:sc= -0.797 (180deg=-2.25) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.617! C(o=-0.62!,f=-1.9!) USER MOD Single : A 94 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.8) USER MOD Single : A 95 THR OG1 : rot -130:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.149 -2.227 -10.275 1.00 0.00 N ATOM 2 CA MET A 1 8.683 -3.601 -10.270 1.00 0.00 C ATOM 3 C MET A 1 10.044 -3.665 -9.572 1.00 0.00 C ATOM 4 O MET A 1 10.241 -4.459 -8.673 1.00 0.00 O ATOM 5 CB MET A 1 8.764 -4.168 -11.704 1.00 0.00 C ATOM 6 CG MET A 1 9.573 -3.322 -12.681 1.00 0.00 C ATOM 7 SD MET A 1 9.570 -4.002 -14.350 1.00 0.00 S ATOM 8 CE MET A 1 10.607 -2.811 -15.202 1.00 0.00 C ATOM 0 H1 MET A 1 7.287 -2.192 -10.855 1.00 0.00 H new ATOM 0 H2 MET A 1 7.923 -1.939 -9.302 1.00 0.00 H new ATOM 0 H3 MET A 1 8.860 -1.580 -10.672 1.00 0.00 H new ATOM 0 HA MET A 1 7.992 -4.225 -9.702 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.201 -5.166 -11.661 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.752 -4.280 -12.093 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.167 -2.311 -12.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.600 -3.245 -12.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.702 -3.095 -16.250 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.156 -1.821 -15.134 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.594 -2.792 -14.741 1.00 0.00 H new ATOM 18 N SER A 2 10.981 -2.816 -9.981 1.00 0.00 N ATOM 19 CA SER A 2 12.310 -2.756 -9.366 1.00 0.00 C ATOM 20 C SER A 2 12.211 -2.300 -7.902 1.00 0.00 C ATOM 21 O SER A 2 13.136 -2.474 -7.108 1.00 0.00 O ATOM 22 CB SER A 2 13.189 -1.800 -10.162 1.00 0.00 C ATOM 23 OG SER A 2 13.098 -2.082 -11.552 1.00 0.00 O ATOM 0 H SER A 2 10.846 -2.152 -10.743 1.00 0.00 H new ATOM 0 HA SER A 2 12.754 -3.751 -9.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.882 -0.771 -9.973 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.224 -1.890 -9.834 1.00 0.00 H new ATOM 0 HG SER A 2 13.667 -1.459 -12.050 1.00 0.00 H new ATOM 29 N ASP A 3 11.069 -1.740 -7.555 1.00 0.00 N ATOM 30 CA ASP A 3 10.781 -1.262 -6.205 1.00 0.00 C ATOM 31 C ASP A 3 10.156 -2.389 -5.383 1.00 0.00 C ATOM 32 O ASP A 3 9.286 -2.173 -4.542 1.00 0.00 O ATOM 33 CB ASP A 3 9.819 -0.074 -6.284 1.00 0.00 C ATOM 34 CG ASP A 3 8.467 -0.448 -6.876 1.00 0.00 C ATOM 35 OD1 ASP A 3 8.430 -1.008 -7.997 1.00 0.00 O ATOM 36 OD2 ASP A 3 7.443 -0.171 -6.233 1.00 0.00 O ATOM 0 H ASP A 3 10.299 -1.599 -8.209 1.00 0.00 H new ATOM 0 HA ASP A 3 11.706 -0.945 -5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.672 0.336 -5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.270 0.713 -6.888 1.00 0.00 H new ATOM 41 N GLN A 4 10.663 -3.588 -5.596 1.00 0.00 N ATOM 42 CA GLN A 4 10.144 -4.799 -4.966 1.00 0.00 C ATOM 43 C GLN A 4 10.845 -5.081 -3.648 1.00 0.00 C ATOM 44 O GLN A 4 10.766 -6.185 -3.102 1.00 0.00 O ATOM 45 CB GLN A 4 10.337 -5.971 -5.903 1.00 0.00 C ATOM 46 CG GLN A 4 11.782 -6.170 -6.328 1.00 0.00 C ATOM 47 CD GLN A 4 11.917 -7.126 -7.482 1.00 0.00 C ATOM 48 OE1 GLN A 4 12.082 -8.328 -7.295 1.00 0.00 O ATOM 49 NE2 GLN A 4 11.823 -6.597 -8.680 1.00 0.00 N ATOM 0 H GLN A 4 11.455 -3.756 -6.217 1.00 0.00 H new ATOM 0 HA GLN A 4 9.084 -4.652 -4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 4 9.981 -6.879 -5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.722 -5.823 -6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.211 -5.207 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 4 12.358 -6.544 -5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.686 -5.592 -8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.887 -7.191 -9.506 1.00 0.00 H new ATOM 58 N GLU A 5 11.542 -4.101 -3.154 1.00 0.00 N ATOM 59 CA GLU A 5 12.256 -4.226 -1.903 1.00 0.00 C ATOM 60 C GLU A 5 11.348 -3.855 -0.742 1.00 0.00 C ATOM 61 O GLU A 5 10.394 -3.095 -0.905 1.00 0.00 O ATOM 62 CB GLU A 5 13.504 -3.347 -1.915 1.00 0.00 C ATOM 63 CG GLU A 5 13.221 -1.875 -2.164 1.00 0.00 C ATOM 64 CD GLU A 5 14.481 -1.069 -2.323 1.00 0.00 C ATOM 65 OE1 GLU A 5 14.982 -0.969 -3.456 1.00 0.00 O ATOM 66 OE2 GLU A 5 14.987 -0.541 -1.319 1.00 0.00 O ATOM 0 H GLU A 5 11.636 -3.189 -3.602 1.00 0.00 H new ATOM 0 HA GLU A 5 12.569 -5.263 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.018 -3.451 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.185 -3.711 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.611 -1.772 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.638 -1.474 -1.334 1.00 0.00 H new ATOM 73 N ALA A 6 11.651 -4.369 0.433 1.00 0.00 N ATOM 74 CA ALA A 6 10.834 -4.123 1.605 1.00 0.00 C ATOM 75 C ALA A 6 11.612 -4.444 2.860 1.00 0.00 C ATOM 76 O ALA A 6 12.741 -4.935 2.798 1.00 0.00 O ATOM 77 CB ALA A 6 9.559 -4.959 1.548 1.00 0.00 C ATOM 0 H ALA A 6 12.462 -4.963 0.602 1.00 0.00 H new ATOM 0 HA ALA A 6 10.559 -3.068 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.956 -4.764 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.990 -4.695 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.819 -6.017 1.512 1.00 0.00 H new ATOM 83 N LYS A 7 11.028 -4.158 3.998 1.00 0.00 N ATOM 84 CA LYS A 7 11.635 -4.459 5.274 1.00 0.00 C ATOM 85 C LYS A 7 10.568 -4.902 6.273 1.00 0.00 C ATOM 86 O LYS A 7 9.391 -4.594 6.098 1.00 0.00 O ATOM 87 CB LYS A 7 12.479 -3.264 5.806 1.00 0.00 C ATOM 88 CG LYS A 7 11.909 -1.872 5.540 1.00 0.00 C ATOM 89 CD LYS A 7 10.564 -1.671 6.199 1.00 0.00 C ATOM 90 CE LYS A 7 10.110 -0.230 6.105 1.00 0.00 C ATOM 91 NZ LYS A 7 8.665 -0.098 6.403 1.00 0.00 N ATOM 0 H LYS A 7 10.115 -3.708 4.067 1.00 0.00 H new ATOM 0 HA LYS A 7 12.331 -5.287 5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.605 -3.384 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.472 -3.320 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.607 -1.119 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.811 -1.720 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.825 -2.318 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.623 -1.967 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.684 0.380 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.313 0.153 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.450 0.890 6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.111 -0.377 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.418 -0.714 7.204 1.00 0.00 H new ATOM 105 N PRO A 8 10.957 -5.651 7.314 1.00 0.00 N ATOM 106 CA PRO A 8 10.011 -6.167 8.304 1.00 0.00 C ATOM 107 C PRO A 8 9.355 -5.060 9.130 1.00 0.00 C ATOM 108 O PRO A 8 9.994 -4.418 9.967 1.00 0.00 O ATOM 109 CB PRO A 8 10.870 -7.071 9.194 1.00 0.00 C ATOM 110 CG PRO A 8 12.260 -6.579 9.012 1.00 0.00 C ATOM 111 CD PRO A 8 12.340 -6.054 7.609 1.00 0.00 C ATOM 0 HA PRO A 8 9.179 -6.687 7.829 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.562 -7.006 10.237 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.779 -8.116 8.899 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.493 -5.796 9.734 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.980 -7.382 9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.028 -5.212 7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.693 -6.817 6.915 1.00 0.00 H new ATOM 119 N SER A 9 8.085 -4.826 8.875 1.00 0.00 N ATOM 120 CA SER A 9 7.317 -3.831 9.601 1.00 0.00 C ATOM 121 C SER A 9 5.939 -4.389 9.931 1.00 0.00 C ATOM 122 O SER A 9 4.934 -3.679 9.885 1.00 0.00 O ATOM 123 CB SER A 9 7.182 -2.557 8.764 1.00 0.00 C ATOM 124 OG SER A 9 8.455 -1.990 8.489 1.00 0.00 O ATOM 0 H SER A 9 7.553 -5.320 8.158 1.00 0.00 H new ATOM 0 HA SER A 9 7.835 -3.586 10.528 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.672 -2.785 7.828 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.565 -1.833 9.295 1.00 0.00 H new ATOM 0 HG SER A 9 8.556 -1.153 8.989 1.00 0.00 H new ATOM 130 N THR A 10 5.896 -5.676 10.242 1.00 0.00 N ATOM 131 CA THR A 10 4.654 -6.357 10.575 1.00 0.00 C ATOM 132 C THR A 10 3.921 -5.680 11.732 1.00 0.00 C ATOM 133 O THR A 10 4.539 -5.113 12.647 1.00 0.00 O ATOM 134 CB THR A 10 4.910 -7.836 10.919 1.00 0.00 C ATOM 135 OG1 THR A 10 5.967 -7.934 11.883 1.00 0.00 O ATOM 136 CG2 THR A 10 5.291 -8.617 9.669 1.00 0.00 C ATOM 0 H THR A 10 6.720 -6.277 10.271 1.00 0.00 H new ATOM 0 HA THR A 10 4.019 -6.299 9.691 1.00 0.00 H new ATOM 0 HB THR A 10 3.995 -8.258 11.334 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.125 -8.876 12.100 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.468 -9.660 9.932 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.481 -8.558 8.942 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.197 -8.193 9.237 1.00 0.00 H new ATOM 144 N GLU A 11 2.607 -5.733 11.688 1.00 0.00 N ATOM 145 CA GLU A 11 1.783 -5.125 12.704 1.00 0.00 C ATOM 146 C GLU A 11 1.667 -6.035 13.912 1.00 0.00 C ATOM 147 O GLU A 11 0.993 -7.067 13.875 1.00 0.00 O ATOM 148 CB GLU A 11 0.404 -4.810 12.139 1.00 0.00 C ATOM 149 CG GLU A 11 -0.565 -4.210 13.141 1.00 0.00 C ATOM 150 CD GLU A 11 -1.881 -3.849 12.503 1.00 0.00 C ATOM 151 OE1 GLU A 11 -2.690 -4.757 12.239 1.00 0.00 O ATOM 152 OE2 GLU A 11 -2.099 -2.660 12.221 1.00 0.00 O ATOM 0 H GLU A 11 2.083 -6.199 10.947 1.00 0.00 H new ATOM 0 HA GLU A 11 2.252 -4.194 13.023 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.517 -4.119 11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.029 -5.727 11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.736 -4.920 13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.121 -3.320 13.587 1.00 0.00 H new ATOM 159 N ASP A 12 2.350 -5.670 14.971 1.00 0.00 N ATOM 160 CA ASP A 12 2.301 -6.422 16.208 1.00 0.00 C ATOM 161 C ASP A 12 1.110 -5.989 17.021 1.00 0.00 C ATOM 162 O ASP A 12 0.413 -6.798 17.623 1.00 0.00 O ATOM 163 CB ASP A 12 3.562 -6.185 17.019 1.00 0.00 C ATOM 164 CG ASP A 12 3.578 -6.976 18.307 1.00 0.00 C ATOM 165 OD1 ASP A 12 4.031 -8.139 18.287 1.00 0.00 O ATOM 166 OD2 ASP A 12 3.143 -6.444 19.341 1.00 0.00 O ATOM 0 H ASP A 12 2.953 -4.848 15.003 1.00 0.00 H new ATOM 0 HA ASP A 12 2.220 -7.482 15.966 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.432 -6.455 16.420 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.649 -5.123 17.247 1.00 0.00 H new ATOM 171 N LEU A 13 0.863 -4.700 17.019 1.00 0.00 N ATOM 172 CA LEU A 13 -0.209 -4.127 17.783 1.00 0.00 C ATOM 173 C LEU A 13 -0.740 -2.890 17.097 1.00 0.00 C ATOM 174 O LEU A 13 -0.171 -2.415 16.109 1.00 0.00 O ATOM 175 CB LEU A 13 0.258 -3.806 19.222 1.00 0.00 C ATOM 176 CG LEU A 13 1.606 -3.061 19.369 1.00 0.00 C ATOM 177 CD1 LEU A 13 1.485 -1.594 18.978 1.00 0.00 C ATOM 178 CD2 LEU A 13 2.131 -3.191 20.789 1.00 0.00 C ATOM 0 H LEU A 13 1.404 -4.021 16.484 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.018 -4.855 17.848 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.515 -3.208 19.704 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.326 -4.743 19.774 1.00 0.00 H new ATOM 0 HG LEU A 13 2.316 -3.526 18.685 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.452 -1.105 19.095 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.164 -1.520 17.939 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.752 -1.106 19.620 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.080 -2.662 20.876 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.410 -2.761 21.484 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.280 -4.244 21.027 1.00 0.00 H new ATOM 190 N GLY A 14 -1.809 -2.359 17.622 1.00 0.00 N ATOM 191 CA GLY A 14 -2.405 -1.178 17.063 1.00 0.00 C ATOM 192 C GLY A 14 -2.757 -0.189 18.133 1.00 0.00 C ATOM 193 O GLY A 14 -3.792 0.476 18.072 1.00 0.00 O ATOM 0 H GLY A 14 -2.288 -2.729 18.443 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.715 -0.720 16.354 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.302 -1.449 16.506 1.00 0.00 H new ATOM 197 N ASP A 15 -1.895 -0.077 19.122 1.00 0.00 N ATOM 198 CA ASP A 15 -2.114 0.818 20.237 1.00 0.00 C ATOM 199 C ASP A 15 -1.288 2.070 20.060 1.00 0.00 C ATOM 200 O ASP A 15 -0.096 2.095 20.374 1.00 0.00 O ATOM 201 CB ASP A 15 -1.747 0.137 21.556 1.00 0.00 C ATOM 202 CG ASP A 15 -2.698 -0.978 21.933 1.00 0.00 C ATOM 203 OD1 ASP A 15 -2.477 -2.126 21.502 1.00 0.00 O ATOM 204 OD2 ASP A 15 -3.671 -0.714 22.672 1.00 0.00 O ATOM 0 H ASP A 15 -1.023 -0.604 19.175 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.171 1.083 20.266 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.737 -0.265 21.482 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.736 0.882 22.352 1.00 0.00 H new ATOM 209 N LYS A 16 -1.903 3.099 19.526 1.00 0.00 N ATOM 210 CA LYS A 16 -1.232 4.360 19.277 1.00 0.00 C ATOM 211 C LYS A 16 -2.261 5.441 19.016 1.00 0.00 C ATOM 212 O LYS A 16 -3.435 5.148 18.789 1.00 0.00 O ATOM 213 CB LYS A 16 -0.269 4.226 18.080 1.00 0.00 C ATOM 214 CG LYS A 16 -0.927 3.708 16.807 1.00 0.00 C ATOM 215 CD LYS A 16 0.096 3.337 15.725 1.00 0.00 C ATOM 216 CE LYS A 16 0.711 4.561 15.035 1.00 0.00 C ATOM 217 NZ LYS A 16 1.700 5.273 15.889 1.00 0.00 N ATOM 0 H LYS A 16 -2.885 3.089 19.250 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.647 4.635 20.155 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.177 5.199 17.876 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.544 3.554 18.355 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.532 2.833 17.045 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.604 4.468 16.417 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.892 2.742 16.174 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.387 2.710 14.976 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.197 4.245 14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.084 5.252 14.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.530 5.531 15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.266 6.134 16.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.996 4.652 16.669 1.00 0.00 H new ATOM 231 N LYS A 17 -1.845 6.687 19.050 1.00 0.00 N ATOM 232 CA LYS A 17 -2.766 7.779 18.818 1.00 0.00 C ATOM 233 C LYS A 17 -2.756 8.179 17.355 1.00 0.00 C ATOM 234 O LYS A 17 -1.783 7.929 16.631 1.00 0.00 O ATOM 235 CB LYS A 17 -2.420 8.992 19.687 1.00 0.00 C ATOM 236 CG LYS A 17 -1.125 9.686 19.300 1.00 0.00 C ATOM 237 CD LYS A 17 -0.969 11.043 19.986 1.00 0.00 C ATOM 238 CE LYS A 17 -2.012 12.059 19.510 1.00 0.00 C ATOM 239 NZ LYS A 17 -3.265 12.023 20.317 1.00 0.00 N ATOM 0 H LYS A 17 -0.882 6.969 19.235 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.763 7.433 19.090 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.236 9.712 19.628 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.351 8.672 20.727 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.281 9.049 19.563 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.097 9.822 18.219 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.057 10.914 21.065 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.030 11.433 19.792 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.584 13.060 19.556 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.253 11.863 18.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.081 11.893 19.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.221 11.233 20.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.369 12.918 20.837 1.00 0.00 H new ATOM 253 N GLU A 18 -3.834 8.781 16.904 1.00 0.00 N ATOM 254 CA GLU A 18 -3.918 9.261 15.546 1.00 0.00 C ATOM 255 C GLU A 18 -3.357 10.664 15.451 1.00 0.00 C ATOM 256 O GLU A 18 -2.966 11.257 16.461 1.00 0.00 O ATOM 257 CB GLU A 18 -5.353 9.187 15.025 1.00 0.00 C ATOM 258 CG GLU A 18 -6.372 9.883 15.907 1.00 0.00 C ATOM 259 CD GLU A 18 -7.740 9.253 15.801 1.00 0.00 C ATOM 260 OE1 GLU A 18 -7.930 8.154 16.365 1.00 0.00 O ATOM 261 OE2 GLU A 18 -8.636 9.848 15.167 1.00 0.00 O ATOM 0 H GLU A 18 -4.670 8.950 17.464 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.314 8.615 14.909 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.389 9.629 14.029 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.636 8.140 14.920 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.037 9.849 16.944 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.435 10.935 15.627 1.00 0.00 H new ATOM 268 N GLY A 19 -3.306 11.204 14.255 1.00 0.00 N ATOM 269 CA GLY A 19 -2.729 12.505 14.087 1.00 0.00 C ATOM 270 C GLY A 19 -3.078 13.130 12.765 1.00 0.00 C ATOM 271 O GLY A 19 -4.111 13.780 12.627 1.00 0.00 O ATOM 0 H GLY A 19 -3.652 10.767 13.401 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.070 13.155 14.893 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.645 12.431 14.174 1.00 0.00 H new ATOM 275 N GLU A 20 -2.221 12.933 11.784 1.00 0.00 N ATOM 276 CA GLU A 20 -2.422 13.500 10.462 1.00 0.00 C ATOM 277 C GLU A 20 -2.409 12.409 9.403 1.00 0.00 C ATOM 278 O GLU A 20 -2.424 12.688 8.203 1.00 0.00 O ATOM 279 CB GLU A 20 -1.319 14.509 10.163 1.00 0.00 C ATOM 280 CG GLU A 20 -1.240 15.651 11.157 1.00 0.00 C ATOM 281 CD GLU A 20 0.023 16.456 11.003 1.00 0.00 C ATOM 282 OE1 GLU A 20 0.087 17.303 10.093 1.00 0.00 O ATOM 283 OE2 GLU A 20 0.964 16.241 11.793 1.00 0.00 O ATOM 0 H GLU A 20 -1.370 12.379 11.877 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.392 13.997 10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.361 13.990 10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.477 14.920 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.103 16.304 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.293 15.252 12.170 1.00 0.00 H new ATOM 290 N TYR A 21 -2.366 11.158 9.838 1.00 0.00 N ATOM 291 CA TYR A 21 -2.329 10.049 8.910 1.00 0.00 C ATOM 292 C TYR A 21 -3.727 9.591 8.526 1.00 0.00 C ATOM 293 O TYR A 21 -4.687 9.756 9.282 1.00 0.00 O ATOM 294 CB TYR A 21 -1.496 8.877 9.456 1.00 0.00 C ATOM 295 CG TYR A 21 -2.034 8.226 10.717 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.994 7.221 10.653 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.558 8.591 11.968 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.460 6.604 11.795 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.023 7.984 13.113 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.975 6.987 13.021 1.00 0.00 C ATOM 301 OH TYR A 21 -3.435 6.362 14.162 1.00 0.00 O ATOM 0 H TYR A 21 -2.356 10.892 10.823 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.839 10.409 8.006 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.419 8.116 8.680 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.485 9.234 9.655 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.381 6.918 9.691 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.809 9.365 12.045 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.203 5.823 11.725 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.645 8.286 14.079 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.729 6.362 14.842 1.00 0.00 H new ATOM 311 N ILE A 22 -3.831 9.027 7.350 1.00 0.00 N ATOM 312 CA ILE A 22 -5.088 8.550 6.822 1.00 0.00 C ATOM 313 C ILE A 22 -5.069 7.038 6.699 1.00 0.00 C ATOM 314 O ILE A 22 -4.038 6.395 6.883 1.00 0.00 O ATOM 315 CB ILE A 22 -5.392 9.167 5.443 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.446 8.598 4.386 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.267 10.682 5.511 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.674 9.149 2.995 1.00 0.00 C ATOM 0 H ILE A 22 -3.039 8.884 6.724 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.870 8.853 7.518 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.414 8.913 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.418 8.805 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.558 7.514 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.484 11.109 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.975 11.073 6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.253 10.950 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.964 8.696 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.690 8.919 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.533 10.230 3.004 1.00 0.00 H new ATOM 330 N LYS A 23 -6.204 6.469 6.396 1.00 0.00 N ATOM 331 CA LYS A 23 -6.316 5.038 6.245 1.00 0.00 C ATOM 332 C LYS A 23 -6.565 4.698 4.802 1.00 0.00 C ATOM 333 O LYS A 23 -7.154 5.469 4.083 1.00 0.00 O ATOM 334 CB LYS A 23 -7.472 4.505 7.087 1.00 0.00 C ATOM 335 CG LYS A 23 -7.335 4.776 8.571 1.00 0.00 C ATOM 336 CD LYS A 23 -8.572 4.329 9.343 1.00 0.00 C ATOM 337 CE LYS A 23 -9.813 5.114 8.930 1.00 0.00 C ATOM 338 NZ LYS A 23 -11.001 4.737 9.738 1.00 0.00 N ATOM 0 H LYS A 23 -7.075 6.978 6.247 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.385 4.580 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.401 4.951 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.554 3.429 6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.458 4.256 8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.170 5.841 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.742 3.266 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.400 4.458 10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.622 6.181 9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.020 4.936 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.823 5.293 9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.200 3.724 9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.813 4.930 10.742 1.00 0.00 H new ATOM 352 N LEU A 24 -6.054 3.593 4.360 1.00 0.00 N ATOM 353 CA LEU A 24 -6.363 3.114 3.028 1.00 0.00 C ATOM 354 C LEU A 24 -6.565 1.619 3.041 1.00 0.00 C ATOM 355 O LEU A 24 -6.122 0.921 3.965 1.00 0.00 O ATOM 356 CB LEU A 24 -5.290 3.511 2.005 1.00 0.00 C ATOM 357 CG LEU A 24 -5.150 5.007 1.720 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.063 5.612 2.578 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.877 5.257 0.248 1.00 0.00 C ATOM 0 H LEU A 24 -5.420 2.998 4.893 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.291 3.593 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.328 3.137 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.507 3.002 1.066 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.094 5.490 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.978 6.677 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.312 5.475 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.114 5.121 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.782 6.329 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.952 4.758 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.701 4.864 -0.347 1.00 0.00 H new ATOM 371 N LYS A 25 -7.241 1.117 2.036 1.00 0.00 N ATOM 372 CA LYS A 25 -7.510 -0.292 1.945 1.00 0.00 C ATOM 373 C LYS A 25 -7.129 -0.814 0.581 1.00 0.00 C ATOM 374 O LYS A 25 -7.288 -0.137 -0.427 1.00 0.00 O ATOM 375 CB LYS A 25 -8.985 -0.574 2.258 1.00 0.00 C ATOM 376 CG LYS A 25 -9.342 -2.057 2.357 1.00 0.00 C ATOM 377 CD LYS A 25 -9.782 -2.639 1.020 1.00 0.00 C ATOM 378 CE LYS A 25 -11.066 -2.000 0.508 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.247 -2.384 1.308 1.00 0.00 N ATOM 0 H LYS A 25 -7.616 1.671 1.266 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.904 -0.815 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.242 -0.088 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.601 -0.116 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.479 -2.612 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.140 -2.188 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.989 -2.496 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.930 -3.714 1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.959 -0.915 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.224 -2.291 -0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.108 -2.021 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.300 -3.421 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.165 -1.981 2.263 1.00 0.00 H new ATOM 393 N VAL A 26 -6.603 -2.007 0.551 1.00 0.00 N ATOM 394 CA VAL A 26 -6.178 -2.616 -0.689 1.00 0.00 C ATOM 395 C VAL A 26 -7.006 -3.836 -1.022 1.00 0.00 C ATOM 396 O VAL A 26 -7.411 -4.585 -0.138 1.00 0.00 O ATOM 397 CB VAL A 26 -4.654 -2.978 -0.643 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.364 -4.362 -1.231 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.852 -1.921 -1.377 1.00 0.00 C ATOM 0 H VAL A 26 -6.455 -2.586 1.378 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.333 -1.884 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.357 -3.006 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.294 -4.564 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.906 -5.119 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.685 -4.389 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.793 -2.178 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.179 -1.872 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.006 -0.952 -0.902 1.00 0.00 H new ATOM 409 N ILE A 27 -7.285 -4.012 -2.298 1.00 0.00 N ATOM 410 CA ILE A 27 -7.967 -5.185 -2.778 1.00 0.00 C ATOM 411 C ILE A 27 -6.940 -6.047 -3.473 1.00 0.00 C ATOM 412 O ILE A 27 -6.390 -5.657 -4.499 1.00 0.00 O ATOM 413 CB ILE A 27 -9.104 -4.839 -3.776 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.170 -3.963 -3.110 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.735 -6.113 -4.338 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.862 -4.622 -1.942 1.00 0.00 C ATOM 0 H ILE A 27 -7.043 -3.342 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.429 -5.697 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.667 -4.276 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.705 -3.038 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.917 -3.688 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.530 -5.848 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.975 -6.696 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.151 -6.704 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.602 -3.939 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.358 -5.532 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.127 -4.872 -1.177 1.00 0.00 H new ATOM 428 N GLY A 28 -6.661 -7.204 -2.923 1.00 0.00 N ATOM 429 CA GLY A 28 -5.650 -8.035 -3.486 1.00 0.00 C ATOM 430 C GLY A 28 -6.176 -8.860 -4.622 1.00 0.00 C ATOM 431 O GLY A 28 -7.378 -8.908 -4.869 1.00 0.00 O ATOM 0 H GLY A 28 -7.121 -7.580 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.825 -7.416 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.249 -8.692 -2.715 1.00 0.00 H new ATOM 435 N GLN A 29 -5.280 -9.521 -5.302 1.00 0.00 N ATOM 436 CA GLN A 29 -5.618 -10.404 -6.413 1.00 0.00 C ATOM 437 C GLN A 29 -6.524 -11.547 -5.950 1.00 0.00 C ATOM 438 O GLN A 29 -7.257 -12.141 -6.735 1.00 0.00 O ATOM 439 CB GLN A 29 -4.332 -10.955 -7.063 1.00 0.00 C ATOM 440 CG GLN A 29 -3.082 -10.763 -6.206 1.00 0.00 C ATOM 441 CD GLN A 29 -3.186 -11.463 -4.864 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.703 -12.572 -4.767 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.772 -10.787 -3.813 1.00 0.00 N ATOM 0 H GLN A 29 -4.280 -9.469 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.166 -9.826 -7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.464 -12.018 -7.265 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.182 -10.464 -8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.214 -11.143 -6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.916 -9.698 -6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.347 -9.868 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.876 -11.183 -2.879 1.00 0.00 H new ATOM 452 N ASP A 30 -6.460 -11.850 -4.668 1.00 0.00 N ATOM 453 CA ASP A 30 -7.273 -12.893 -4.074 1.00 0.00 C ATOM 454 C ASP A 30 -8.429 -12.263 -3.295 1.00 0.00 C ATOM 455 O ASP A 30 -9.082 -12.910 -2.472 1.00 0.00 O ATOM 456 CB ASP A 30 -6.401 -13.745 -3.147 1.00 0.00 C ATOM 457 CG ASP A 30 -7.065 -15.030 -2.721 1.00 0.00 C ATOM 458 OD1 ASP A 30 -7.240 -15.924 -3.573 1.00 0.00 O ATOM 459 OD2 ASP A 30 -7.402 -15.163 -1.527 1.00 0.00 O ATOM 0 H ASP A 30 -5.841 -11.379 -4.008 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.688 -13.530 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.464 -13.978 -3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.148 -13.163 -2.261 1.00 0.00 H new ATOM 464 N SER A 31 -8.663 -10.970 -3.563 1.00 0.00 N ATOM 465 CA SER A 31 -9.714 -10.177 -2.903 1.00 0.00 C ATOM 466 C SER A 31 -9.263 -9.876 -1.496 1.00 0.00 C ATOM 467 O SER A 31 -10.053 -9.602 -0.588 1.00 0.00 O ATOM 468 CB SER A 31 -11.070 -10.901 -2.926 1.00 0.00 C ATOM 469 OG SER A 31 -11.451 -11.227 -4.259 1.00 0.00 O ATOM 0 H SER A 31 -8.125 -10.440 -4.249 1.00 0.00 H new ATOM 0 HA SER A 31 -9.865 -9.243 -3.445 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.011 -11.810 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.832 -10.269 -2.470 1.00 0.00 H new ATOM 0 HG SER A 31 -12.316 -11.688 -4.249 1.00 0.00 H new ATOM 475 N SER A 32 -7.958 -9.925 -1.347 1.00 0.00 N ATOM 476 CA SER A 32 -7.265 -9.699 -0.119 1.00 0.00 C ATOM 477 C SER A 32 -7.412 -8.247 0.337 1.00 0.00 C ATOM 478 O SER A 32 -6.683 -7.372 -0.122 1.00 0.00 O ATOM 479 CB SER A 32 -5.806 -10.011 -0.370 1.00 0.00 C ATOM 480 OG SER A 32 -5.674 -11.083 -1.303 1.00 0.00 O ATOM 0 H SER A 32 -7.330 -10.134 -2.123 1.00 0.00 H new ATOM 0 HA SER A 32 -7.679 -10.331 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.300 -9.125 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.319 -10.276 0.568 1.00 0.00 H new ATOM 0 HG SER A 32 -4.724 -11.270 -1.454 1.00 0.00 H new ATOM 486 N GLU A 33 -8.371 -7.977 1.207 1.00 0.00 N ATOM 487 CA GLU A 33 -8.566 -6.626 1.697 1.00 0.00 C ATOM 488 C GLU A 33 -7.636 -6.325 2.849 1.00 0.00 C ATOM 489 O GLU A 33 -7.811 -6.819 3.965 1.00 0.00 O ATOM 490 CB GLU A 33 -10.003 -6.389 2.121 1.00 0.00 C ATOM 491 CG GLU A 33 -11.019 -6.611 1.019 1.00 0.00 C ATOM 492 CD GLU A 33 -12.411 -6.208 1.433 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.750 -5.015 1.303 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.176 -7.079 1.890 1.00 0.00 O ATOM 0 H GLU A 33 -9.019 -8.668 1.584 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.335 -5.951 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.238 -7.050 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.098 -5.367 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.725 -6.041 0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.018 -7.663 0.734 1.00 0.00 H new ATOM 501 N ILE A 34 -6.644 -5.524 2.580 1.00 0.00 N ATOM 502 CA ILE A 34 -5.682 -5.136 3.584 1.00 0.00 C ATOM 503 C ILE A 34 -5.973 -3.715 4.047 1.00 0.00 C ATOM 504 O ILE A 34 -6.332 -2.858 3.241 1.00 0.00 O ATOM 505 CB ILE A 34 -4.239 -5.206 3.034 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.957 -6.585 2.409 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.240 -4.908 4.137 1.00 0.00 C ATOM 508 CD1 ILE A 34 -4.080 -7.743 3.381 1.00 0.00 C ATOM 0 H ILE A 34 -6.475 -5.119 1.659 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.767 -5.829 4.421 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.133 -4.452 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.648 -6.745 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.951 -6.583 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.228 -4.961 3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.422 -3.909 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.352 -5.640 4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.866 -8.678 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.370 -7.610 4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.093 -7.775 3.783 1.00 0.00 H new ATOM 520 N HIS A 35 -5.837 -3.460 5.337 1.00 0.00 N ATOM 521 CA HIS A 35 -6.097 -2.136 5.894 1.00 0.00 C ATOM 522 C HIS A 35 -4.811 -1.560 6.468 1.00 0.00 C ATOM 523 O HIS A 35 -4.088 -2.237 7.202 1.00 0.00 O ATOM 524 CB HIS A 35 -7.159 -2.204 7.003 1.00 0.00 C ATOM 525 CG HIS A 35 -8.538 -2.575 6.541 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.679 -2.105 7.146 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.956 -3.398 5.550 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.736 -2.623 6.554 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.325 -3.412 5.581 1.00 0.00 N ATOM 0 H HIS A 35 -5.546 -4.155 6.025 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.468 -1.497 5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.836 -2.928 7.750 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.207 -1.234 7.499 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.326 -3.943 4.862 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.765 -2.433 6.821 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.928 -3.945 4.954 1.00 0.00 H new ATOM 538 N PHE A 36 -4.512 -0.324 6.144 1.00 0.00 N ATOM 539 CA PHE A 36 -3.292 0.306 6.624 1.00 0.00 C ATOM 540 C PHE A 36 -3.472 1.795 6.849 1.00 0.00 C ATOM 541 O PHE A 36 -4.383 2.423 6.303 1.00 0.00 O ATOM 542 CB PHE A 36 -2.131 0.035 5.660 1.00 0.00 C ATOM 543 CG PHE A 36 -2.576 -0.114 4.245 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.875 0.989 3.480 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.718 -1.369 3.689 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.308 0.838 2.184 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.153 -1.518 2.397 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.447 -0.413 1.647 1.00 0.00 C ATOM 0 H PHE A 36 -5.092 0.270 5.551 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.053 -0.138 7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.412 0.852 5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.612 -0.872 5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.769 1.979 3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.484 -2.244 4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.539 1.709 1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.263 -2.505 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.789 -0.528 0.629 1.00 0.00 H new ATOM 558 N LYS A 37 -2.601 2.354 7.655 1.00 0.00 N ATOM 559 CA LYS A 37 -2.637 3.761 7.995 1.00 0.00 C ATOM 560 C LYS A 37 -1.338 4.436 7.590 1.00 0.00 C ATOM 561 O LYS A 37 -0.262 4.070 8.067 1.00 0.00 O ATOM 562 CB LYS A 37 -2.871 3.912 9.496 1.00 0.00 C ATOM 563 CG LYS A 37 -4.290 3.570 9.921 1.00 0.00 C ATOM 564 CD LYS A 37 -4.359 3.084 11.360 1.00 0.00 C ATOM 565 CE LYS A 37 -3.686 1.732 11.519 1.00 0.00 C ATOM 566 NZ LYS A 37 -3.847 1.189 12.888 1.00 0.00 N ATOM 0 H LYS A 37 -1.839 1.842 8.099 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.452 4.242 7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.174 3.268 10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.648 4.938 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.924 4.450 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.690 2.801 9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.879 3.811 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.401 3.013 11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.107 1.030 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.625 1.826 11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.373 0.266 12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.422 1.845 13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.859 1.074 13.099 1.00 0.00 H new ATOM 580 N VAL A 38 -1.428 5.416 6.704 1.00 0.00 N ATOM 581 CA VAL A 38 -0.245 6.117 6.215 1.00 0.00 C ATOM 582 C VAL A 38 -0.502 7.621 6.118 1.00 0.00 C ATOM 583 O VAL A 38 -1.645 8.069 6.069 1.00 0.00 O ATOM 584 CB VAL A 38 0.221 5.592 4.819 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.491 4.091 4.849 1.00 0.00 C ATOM 586 CG2 VAL A 38 -0.795 5.931 3.742 1.00 0.00 C ATOM 0 H VAL A 38 -2.308 5.746 6.307 1.00 0.00 H new ATOM 0 HA VAL A 38 0.547 5.922 6.938 1.00 0.00 H new ATOM 0 HB VAL A 38 1.157 6.095 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.813 3.759 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.273 3.877 5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.420 3.563 5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.446 5.554 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.752 5.470 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.917 7.013 3.685 1.00 0.00 H new ATOM 596 N LYS A 39 0.560 8.397 6.100 1.00 0.00 N ATOM 597 CA LYS A 39 0.464 9.846 5.981 1.00 0.00 C ATOM 598 C LYS A 39 0.115 10.258 4.563 1.00 0.00 C ATOM 599 O LYS A 39 0.403 9.543 3.606 1.00 0.00 O ATOM 600 CB LYS A 39 1.786 10.491 6.391 1.00 0.00 C ATOM 601 CG LYS A 39 1.897 10.780 7.870 1.00 0.00 C ATOM 602 CD LYS A 39 1.232 12.098 8.207 1.00 0.00 C ATOM 603 CE LYS A 39 2.150 13.282 7.931 1.00 0.00 C ATOM 604 NZ LYS A 39 3.357 13.274 8.802 1.00 0.00 N ATOM 0 H LYS A 39 1.516 8.047 6.167 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.332 10.187 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.605 9.835 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.910 11.423 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.431 9.976 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.947 10.811 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.318 12.203 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.942 12.100 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.458 13.264 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.599 14.210 8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.749 14.236 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.096 12.947 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.071 12.633 8.400 1.00 0.00 H new ATOM 618 N MET A 40 -0.496 11.423 4.419 1.00 0.00 N ATOM 619 CA MET A 40 -0.846 11.929 3.107 1.00 0.00 C ATOM 620 C MET A 40 0.394 12.322 2.346 1.00 0.00 C ATOM 621 O MET A 40 0.500 12.099 1.144 1.00 0.00 O ATOM 622 CB MET A 40 -1.782 13.142 3.213 1.00 0.00 C ATOM 623 CG MET A 40 -3.211 12.798 3.580 1.00 0.00 C ATOM 624 SD MET A 40 -4.355 12.995 2.194 1.00 0.00 S ATOM 625 CE MET A 40 -3.587 11.958 0.956 1.00 0.00 C ATOM 0 H MET A 40 -0.758 12.033 5.194 1.00 0.00 H new ATOM 0 HA MET A 40 -1.363 11.132 2.573 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.383 13.829 3.959 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.781 13.671 2.260 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.252 11.769 3.936 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.533 13.434 4.405 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.099 12.090 0.003 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.539 12.237 0.847 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.655 10.914 1.263 1.00 0.00 H new ATOM 635 N THR A 41 1.356 12.877 3.052 1.00 0.00 N ATOM 636 CA THR A 41 2.541 13.378 2.415 1.00 0.00 C ATOM 637 C THR A 41 3.727 12.396 2.522 1.00 0.00 C ATOM 638 O THR A 41 4.897 12.789 2.447 1.00 0.00 O ATOM 639 CB THR A 41 2.913 14.781 2.961 1.00 0.00 C ATOM 640 OG1 THR A 41 3.922 15.381 2.141 1.00 0.00 O ATOM 641 CG2 THR A 41 3.390 14.702 4.407 1.00 0.00 C ATOM 0 H THR A 41 1.335 12.990 4.066 1.00 0.00 H new ATOM 0 HA THR A 41 2.317 13.477 1.353 1.00 0.00 H new ATOM 0 HB THR A 41 2.017 15.401 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.666 14.754 2.026 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.643 15.701 4.762 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.598 14.286 5.029 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.271 14.062 4.465 1.00 0.00 H new ATOM 649 N THR A 42 3.432 11.118 2.667 1.00 0.00 N ATOM 650 CA THR A 42 4.478 10.116 2.711 1.00 0.00 C ATOM 651 C THR A 42 4.457 9.309 1.415 1.00 0.00 C ATOM 652 O THR A 42 3.514 9.416 0.628 1.00 0.00 O ATOM 653 CB THR A 42 4.336 9.173 3.938 1.00 0.00 C ATOM 654 OG1 THR A 42 5.560 8.452 4.145 1.00 0.00 O ATOM 655 CG2 THR A 42 3.199 8.178 3.741 1.00 0.00 C ATOM 0 H THR A 42 2.484 10.752 2.756 1.00 0.00 H new ATOM 0 HA THR A 42 5.434 10.629 2.815 1.00 0.00 H new ATOM 0 HB THR A 42 4.114 9.790 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.464 7.861 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.125 7.532 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.262 8.718 3.608 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.396 7.571 2.858 1.00 0.00 H new ATOM 663 N HIS A 43 5.483 8.516 1.180 1.00 0.00 N ATOM 664 CA HIS A 43 5.550 7.728 -0.039 1.00 0.00 C ATOM 665 C HIS A 43 4.667 6.491 0.036 1.00 0.00 C ATOM 666 O HIS A 43 4.585 5.815 1.062 1.00 0.00 O ATOM 667 CB HIS A 43 6.990 7.340 -0.382 1.00 0.00 C ATOM 668 CG HIS A 43 7.731 8.369 -1.187 1.00 0.00 C ATOM 669 ND1 HIS A 43 8.990 8.155 -1.704 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.382 9.617 -1.578 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.378 9.222 -2.371 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.419 10.121 -2.310 1.00 0.00 N ATOM 0 H HIS A 43 6.277 8.399 1.810 1.00 0.00 H new ATOM 0 HA HIS A 43 5.170 8.361 -0.841 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.535 7.158 0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.979 6.401 -0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.454 10.121 -1.353 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.323 9.339 -2.881 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.446 11.045 -2.740 1.00 0.00 H new ATOM 681 N LEU A 44 4.019 6.197 -1.079 1.00 0.00 N ATOM 682 CA LEU A 44 3.117 5.054 -1.226 1.00 0.00 C ATOM 683 C LEU A 44 3.898 3.762 -1.088 1.00 0.00 C ATOM 684 O LEU A 44 3.335 2.702 -0.845 1.00 0.00 O ATOM 685 CB LEU A 44 2.461 5.108 -2.617 1.00 0.00 C ATOM 686 CG LEU A 44 0.948 4.855 -2.707 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.596 3.441 -2.309 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.187 5.848 -1.862 1.00 0.00 C ATOM 0 H LEU A 44 4.103 6.755 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 44 2.351 5.093 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.662 6.091 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.961 4.376 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 44 0.656 4.989 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.482 3.299 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.102 2.740 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.914 3.262 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.882 5.650 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.497 5.754 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.395 6.859 -2.212 1.00 0.00 H new ATOM 700 N LYS A 45 5.212 3.861 -1.250 1.00 0.00 N ATOM 701 CA LYS A 45 6.096 2.716 -1.166 1.00 0.00 C ATOM 702 C LYS A 45 5.865 1.916 0.114 1.00 0.00 C ATOM 703 O LYS A 45 5.730 0.704 0.065 1.00 0.00 O ATOM 704 CB LYS A 45 7.560 3.163 -1.279 1.00 0.00 C ATOM 705 CG LYS A 45 8.012 4.151 -0.208 1.00 0.00 C ATOM 706 CD LYS A 45 8.731 3.455 0.946 1.00 0.00 C ATOM 707 CE LYS A 45 10.024 2.801 0.491 1.00 0.00 C ATOM 708 NZ LYS A 45 10.622 1.962 1.564 1.00 0.00 N ATOM 0 H LYS A 45 5.690 4.741 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 45 5.868 2.056 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.199 2.281 -1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.712 3.616 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.676 4.891 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.146 4.690 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.947 4.180 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.075 2.701 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.831 2.185 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.735 3.570 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.552 1.614 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.735 2.531 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.998 1.154 1.761 1.00 0.00 H new ATOM 722 N LYS A 46 5.759 2.613 1.258 1.00 0.00 N ATOM 723 CA LYS A 46 5.588 1.950 2.548 1.00 0.00 C ATOM 724 C LYS A 46 4.246 1.246 2.622 1.00 0.00 C ATOM 725 O LYS A 46 4.099 0.224 3.271 1.00 0.00 O ATOM 726 CB LYS A 46 5.724 2.947 3.703 1.00 0.00 C ATOM 727 CG LYS A 46 4.606 3.983 3.774 1.00 0.00 C ATOM 728 CD LYS A 46 4.727 4.855 5.012 1.00 0.00 C ATOM 729 CE LYS A 46 4.745 4.019 6.284 1.00 0.00 C ATOM 730 NZ LYS A 46 4.764 4.862 7.496 1.00 0.00 N ATOM 0 H LYS A 46 5.789 3.631 1.309 1.00 0.00 H new ATOM 0 HA LYS A 46 6.378 1.204 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.752 2.395 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.678 3.465 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.634 4.610 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.641 3.477 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.639 5.448 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.893 5.556 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.868 3.372 6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.621 3.370 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.776 4.255 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.614 5.462 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.916 5.464 7.514 1.00 0.00 H new ATOM 744 N LEU A 47 3.271 1.806 1.953 1.00 0.00 N ATOM 745 CA LEU A 47 1.946 1.240 1.887 1.00 0.00 C ATOM 746 C LEU A 47 1.993 -0.059 1.089 1.00 0.00 C ATOM 747 O LEU A 47 1.467 -1.094 1.507 1.00 0.00 O ATOM 748 CB LEU A 47 1.029 2.266 1.209 1.00 0.00 C ATOM 749 CG LEU A 47 -0.465 1.940 1.109 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.253 3.219 0.873 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.740 0.950 -0.024 1.00 0.00 C ATOM 0 H LEU A 47 3.375 2.677 1.433 1.00 0.00 H new ATOM 0 HA LEU A 47 1.565 1.013 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.130 3.210 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.403 2.432 0.199 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.778 1.481 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.315 2.984 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.088 3.906 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.922 3.684 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.808 0.738 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.414 1.381 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.194 0.025 0.161 1.00 0.00 H new ATOM 763 N LYS A 48 2.643 0.012 -0.056 1.00 0.00 N ATOM 764 CA LYS A 48 2.772 -1.114 -0.965 1.00 0.00 C ATOM 765 C LYS A 48 3.494 -2.283 -0.308 1.00 0.00 C ATOM 766 O LYS A 48 3.059 -3.430 -0.403 1.00 0.00 O ATOM 767 CB LYS A 48 3.494 -0.662 -2.224 1.00 0.00 C ATOM 768 CG LYS A 48 2.780 0.479 -2.922 1.00 0.00 C ATOM 769 CD LYS A 48 3.707 1.293 -3.819 1.00 0.00 C ATOM 770 CE LYS A 48 4.480 0.413 -4.764 1.00 0.00 C ATOM 771 NZ LYS A 48 5.377 1.180 -5.634 1.00 0.00 N ATOM 0 H LYS A 48 3.102 0.861 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 48 1.775 -1.467 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.506 -0.350 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.584 -1.504 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.962 0.078 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.336 1.136 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.121 2.014 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.402 1.864 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.063 -0.308 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.783 -0.157 -5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.051 0.535 -6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.819 1.672 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.898 1.878 -5.066 1.00 0.00 H new ATOM 785 N GLU A 49 4.577 -1.995 0.374 1.00 0.00 N ATOM 786 CA GLU A 49 5.327 -3.032 1.066 1.00 0.00 C ATOM 787 C GLU A 49 4.545 -3.534 2.281 1.00 0.00 C ATOM 788 O GLU A 49 4.578 -4.722 2.610 1.00 0.00 O ATOM 789 CB GLU A 49 6.712 -2.521 1.490 1.00 0.00 C ATOM 790 CG GLU A 49 6.689 -1.129 2.086 1.00 0.00 C ATOM 791 CD GLU A 49 7.972 -0.748 2.790 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.125 -1.098 3.975 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.830 -0.075 2.163 1.00 0.00 O ATOM 0 H GLU A 49 4.963 -1.056 0.468 1.00 0.00 H new ATOM 0 HA GLU A 49 5.472 -3.864 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.138 -3.212 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.372 -2.525 0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.492 -0.407 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.862 -1.060 2.793 1.00 0.00 H new ATOM 800 N SER A 50 3.798 -2.631 2.921 1.00 0.00 N ATOM 801 CA SER A 50 3.025 -2.966 4.107 1.00 0.00 C ATOM 802 C SER A 50 1.934 -3.981 3.787 1.00 0.00 C ATOM 803 O SER A 50 1.747 -4.958 4.513 1.00 0.00 O ATOM 804 CB SER A 50 2.407 -1.704 4.725 1.00 0.00 C ATOM 805 OG SER A 50 1.804 -1.983 5.981 1.00 0.00 O ATOM 0 H SER A 50 3.716 -1.657 2.630 1.00 0.00 H new ATOM 0 HA SER A 50 3.707 -3.415 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.178 -0.944 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.661 -1.292 4.045 1.00 0.00 H new ATOM 0 HG SER A 50 1.421 -1.160 6.350 1.00 0.00 H new ATOM 811 N TYR A 51 1.215 -3.779 2.697 1.00 0.00 N ATOM 812 CA TYR A 51 0.150 -4.694 2.365 1.00 0.00 C ATOM 813 C TYR A 51 0.713 -5.992 1.801 1.00 0.00 C ATOM 814 O TYR A 51 0.154 -7.069 2.015 1.00 0.00 O ATOM 815 CB TYR A 51 -0.897 -4.056 1.429 1.00 0.00 C ATOM 816 CG TYR A 51 -0.592 -4.118 -0.051 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.908 -5.247 -0.784 1.00 0.00 C ATOM 818 CD2 TYR A 51 -0.022 -3.047 -0.717 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.663 -5.315 -2.133 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.232 -3.106 -2.078 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.091 -4.241 -2.775 1.00 0.00 C ATOM 822 OH TYR A 51 0.155 -4.302 -4.122 1.00 0.00 O ATOM 0 H TYR A 51 1.348 -3.007 2.044 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.379 -4.935 3.287 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.856 -4.545 1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.017 -3.010 1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.357 -6.093 -0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.229 -2.152 -0.168 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.918 -6.206 -2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.681 -2.265 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.423 -4.981 -4.530 1.00 0.00 H new ATOM 832 N CYS A 52 1.843 -5.903 1.096 1.00 0.00 N ATOM 833 CA CYS A 52 2.480 -7.084 0.538 1.00 0.00 C ATOM 834 C CYS A 52 2.917 -8.030 1.637 1.00 0.00 C ATOM 835 O CYS A 52 2.704 -9.246 1.550 1.00 0.00 O ATOM 836 CB CYS A 52 3.666 -6.703 -0.339 1.00 0.00 C ATOM 837 SG CYS A 52 3.199 -5.942 -1.905 1.00 0.00 S ATOM 0 H CYS A 52 2.329 -5.027 0.902 1.00 0.00 H new ATOM 0 HA CYS A 52 1.746 -7.595 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.307 -6.014 0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.257 -7.596 -0.542 1.00 0.00 H new ATOM 0 HG CYS A 52 3.065 -4.659 -1.741 1.00 0.00 H new ATOM 843 N GLN A 53 3.506 -7.483 2.695 1.00 0.00 N ATOM 844 CA GLN A 53 3.940 -8.307 3.809 1.00 0.00 C ATOM 845 C GLN A 53 2.733 -8.917 4.518 1.00 0.00 C ATOM 846 O GLN A 53 2.795 -10.052 4.991 1.00 0.00 O ATOM 847 CB GLN A 53 4.820 -7.531 4.812 1.00 0.00 C ATOM 848 CG GLN A 53 4.172 -6.278 5.360 1.00 0.00 C ATOM 849 CD GLN A 53 4.828 -5.748 6.619 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.025 -5.933 6.852 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.040 -5.075 7.439 1.00 0.00 N ATOM 0 H GLN A 53 3.691 -6.486 2.801 1.00 0.00 H new ATOM 0 HA GLN A 53 4.558 -9.105 3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.073 -8.190 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.756 -7.260 4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.198 -5.503 4.594 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.122 -6.485 5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.055 -4.945 7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.417 -4.685 8.303 1.00 0.00 H new ATOM 860 N ARG A 54 1.619 -8.157 4.605 1.00 0.00 N ATOM 861 CA ARG A 54 0.379 -8.675 5.203 1.00 0.00 C ATOM 862 C ARG A 54 -0.032 -9.979 4.537 1.00 0.00 C ATOM 863 O ARG A 54 -0.377 -10.953 5.202 1.00 0.00 O ATOM 864 CB ARG A 54 -0.760 -7.662 5.048 1.00 0.00 C ATOM 865 CG ARG A 54 -0.550 -6.332 5.757 1.00 0.00 C ATOM 866 CD ARG A 54 -0.813 -6.414 7.251 1.00 0.00 C ATOM 867 NE ARG A 54 -0.894 -5.072 7.839 1.00 0.00 N ATOM 868 CZ ARG A 54 -1.419 -4.792 9.037 1.00 0.00 C ATOM 869 NH1 ARG A 54 -1.859 -5.772 9.824 1.00 0.00 N ATOM 870 NH2 ARG A 54 -1.496 -3.527 9.448 1.00 0.00 N ATOM 0 H ARG A 54 1.557 -7.195 4.272 1.00 0.00 H new ATOM 0 HA ARG A 54 0.570 -8.850 6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.910 -7.469 3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.679 -8.113 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.473 -5.994 5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.209 -5.583 5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.743 -6.952 7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.017 -6.981 7.735 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.522 -4.295 7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.797 -6.742 9.514 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.258 -5.553 10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.155 -2.775 8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.896 -3.311 10.361 1.00 0.00 H new ATOM 884 N GLN A 55 0.015 -10.000 3.211 1.00 0.00 N ATOM 885 CA GLN A 55 -0.362 -11.187 2.456 1.00 0.00 C ATOM 886 C GLN A 55 0.738 -12.233 2.507 1.00 0.00 C ATOM 887 O GLN A 55 0.484 -13.425 2.337 1.00 0.00 O ATOM 888 CB GLN A 55 -0.634 -10.813 1.010 1.00 0.00 C ATOM 889 CG GLN A 55 -1.802 -9.864 0.831 1.00 0.00 C ATOM 890 CD GLN A 55 -1.586 -8.888 -0.308 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.347 -8.463 -0.487 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.523 -8.499 -0.999 1.00 0.00 N flip ATOM 0 H GLN A 55 0.310 -9.210 2.637 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.263 -11.605 2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.261 -10.356 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.826 -11.722 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.709 -10.440 0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.961 -9.309 1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.464 -8.852 -0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.360 -7.822 -1.745 1.00 0.00 H new ATOM 901 N GLY A 56 1.965 -11.801 2.756 1.00 0.00 N ATOM 902 CA GLY A 56 3.066 -12.732 2.855 1.00 0.00 C ATOM 903 C GLY A 56 3.628 -13.094 1.499 1.00 0.00 C ATOM 904 O GLY A 56 4.156 -14.187 1.311 1.00 0.00 O ATOM 0 H GLY A 56 2.217 -10.822 2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.854 -12.297 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.731 -13.637 3.361 1.00 0.00 H new ATOM 908 N VAL A 57 3.528 -12.174 0.548 1.00 0.00 N ATOM 909 CA VAL A 57 4.008 -12.415 -0.808 1.00 0.00 C ATOM 910 C VAL A 57 4.927 -11.282 -1.254 1.00 0.00 C ATOM 911 O VAL A 57 4.825 -10.160 -0.748 1.00 0.00 O ATOM 912 CB VAL A 57 2.834 -12.553 -1.821 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.897 -13.684 -1.425 1.00 0.00 C ATOM 914 CG2 VAL A 57 2.072 -11.240 -1.954 1.00 0.00 C ATOM 0 H VAL A 57 3.118 -11.251 0.691 1.00 0.00 H new ATOM 0 HA VAL A 57 4.560 -13.355 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 57 3.261 -12.797 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.087 -13.756 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.449 -14.623 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.482 -13.484 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.257 -11.363 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.665 -10.956 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.748 -10.461 -2.306 1.00 0.00 H new ATOM 924 N PRO A 58 5.855 -11.563 -2.179 1.00 0.00 N ATOM 925 CA PRO A 58 6.762 -10.550 -2.707 1.00 0.00 C ATOM 926 C PRO A 58 6.035 -9.519 -3.576 1.00 0.00 C ATOM 927 O PRO A 58 5.050 -9.830 -4.261 1.00 0.00 O ATOM 928 CB PRO A 58 7.767 -11.348 -3.536 1.00 0.00 C ATOM 929 CG PRO A 58 7.060 -12.609 -3.889 1.00 0.00 C ATOM 930 CD PRO A 58 6.111 -12.894 -2.761 1.00 0.00 C ATOM 0 HA PRO A 58 7.229 -9.971 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.066 -10.800 -4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.675 -11.550 -2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.522 -12.502 -4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.768 -13.428 -4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.192 -13.359 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.549 -13.574 -2.030 1.00 0.00 H new ATOM 938 N MET A 59 6.546 -8.302 -3.572 1.00 0.00 N ATOM 939 CA MET A 59 5.931 -7.171 -4.279 1.00 0.00 C ATOM 940 C MET A 59 6.074 -7.294 -5.794 1.00 0.00 C ATOM 941 O MET A 59 5.479 -6.535 -6.549 1.00 0.00 O ATOM 942 CB MET A 59 6.576 -5.871 -3.815 1.00 0.00 C ATOM 943 CG MET A 59 6.566 -5.691 -2.310 1.00 0.00 C ATOM 944 SD MET A 59 7.439 -4.216 -1.775 1.00 0.00 S ATOM 945 CE MET A 59 6.405 -2.947 -2.485 1.00 0.00 C ATOM 0 H MET A 59 7.405 -8.059 -3.078 1.00 0.00 H new ATOM 0 HA MET A 59 4.867 -7.174 -4.044 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.606 -5.840 -4.169 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.055 -5.032 -4.276 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.534 -5.642 -1.962 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.019 -6.565 -1.842 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.622 -1.991 -2.008 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.603 -2.872 -3.554 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.357 -3.201 -2.328 1.00 0.00 H new ATOM 955 N ASN A 60 6.861 -8.250 -6.237 1.00 0.00 N ATOM 956 CA ASN A 60 7.100 -8.448 -7.661 1.00 0.00 C ATOM 957 C ASN A 60 6.080 -9.401 -8.272 1.00 0.00 C ATOM 958 O ASN A 60 5.967 -9.514 -9.489 1.00 0.00 O ATOM 959 CB ASN A 60 8.528 -8.964 -7.893 1.00 0.00 C ATOM 960 CG ASN A 60 8.870 -10.172 -7.031 1.00 0.00 C ATOM 961 OD1 ASN A 60 8.012 -10.992 -6.713 1.00 0.00 O ATOM 962 ND2 ASN A 60 10.122 -10.274 -6.635 1.00 0.00 N ATOM 0 H ASN A 60 7.352 -8.909 -5.632 1.00 0.00 H new ATOM 0 HA ASN A 60 6.988 -7.484 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.647 -9.229 -8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.237 -8.163 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.408 -11.054 -6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.806 -9.573 -6.920 1.00 0.00 H new ATOM 969 N SER A 61 5.348 -10.093 -7.425 1.00 0.00 N ATOM 970 CA SER A 61 4.355 -11.045 -7.863 1.00 0.00 C ATOM 971 C SER A 61 2.991 -10.394 -8.085 1.00 0.00 C ATOM 972 O SER A 61 2.106 -10.968 -8.726 1.00 0.00 O ATOM 973 CB SER A 61 4.241 -12.150 -6.831 1.00 0.00 C ATOM 974 OG SER A 61 5.466 -12.844 -6.697 1.00 0.00 O ATOM 0 H SER A 61 5.427 -10.010 -6.411 1.00 0.00 H new ATOM 0 HA SER A 61 4.675 -11.453 -8.822 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.951 -11.726 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.454 -12.846 -7.123 1.00 0.00 H new ATOM 0 HG SER A 61 6.211 -12.212 -6.776 1.00 0.00 H new ATOM 980 N LEU A 62 2.808 -9.208 -7.562 1.00 0.00 N ATOM 981 CA LEU A 62 1.536 -8.531 -7.694 1.00 0.00 C ATOM 982 C LEU A 62 1.671 -7.126 -8.271 1.00 0.00 C ATOM 983 O LEU A 62 2.767 -6.583 -8.384 1.00 0.00 O ATOM 984 CB LEU A 62 0.775 -8.542 -6.365 1.00 0.00 C ATOM 985 CG LEU A 62 1.589 -8.245 -5.109 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.992 -6.782 -5.048 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.805 -8.649 -3.875 1.00 0.00 C ATOM 0 H LEU A 62 3.517 -8.691 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 62 0.947 -9.090 -8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.032 -7.812 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.311 -9.521 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 62 2.507 -8.832 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.571 -6.601 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.597 -6.535 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.098 -6.158 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.394 -8.433 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.129 -8.088 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.586 -9.716 -3.916 1.00 0.00 H new ATOM 999 N ARG A 63 0.539 -6.543 -8.639 1.00 0.00 N ATOM 1000 CA ARG A 63 0.524 -5.225 -9.247 1.00 0.00 C ATOM 1001 C ARG A 63 -0.304 -4.271 -8.427 1.00 0.00 C ATOM 1002 O ARG A 63 -1.456 -4.545 -8.118 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.042 -5.269 -10.669 1.00 0.00 C ATOM 1004 CG ARG A 63 0.257 -6.539 -11.431 1.00 0.00 C ATOM 1005 CD ARG A 63 0.249 -6.293 -12.925 1.00 0.00 C ATOM 1006 NE ARG A 63 1.446 -5.572 -13.351 1.00 0.00 N ATOM 1007 CZ ARG A 63 1.532 -4.834 -14.458 1.00 0.00 C ATOM 1008 NH1 ARG A 63 0.491 -4.734 -15.279 1.00 0.00 N ATOM 1009 NH2 ARG A 63 2.666 -4.207 -14.755 1.00 0.00 N ATOM 0 H ARG A 63 -0.382 -6.965 -8.526 1.00 0.00 H new ATOM 0 HA ARG A 63 1.557 -4.880 -9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.123 -5.138 -10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.356 -4.423 -11.230 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.229 -6.928 -11.129 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.482 -7.300 -11.181 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.189 -7.245 -13.452 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.638 -5.721 -13.197 1.00 0.00 H new ATOM 0 HE ARG A 63 2.275 -5.638 -12.760 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.378 -5.223 -15.063 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.561 -4.168 -16.125 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.472 -4.290 -14.136 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.730 -3.643 -15.602 1.00 0.00 H new ATOM 1023 N PHE A 64 0.277 -3.154 -8.083 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.405 -2.124 -7.329 1.00 0.00 C ATOM 1025 C PHE A 64 -0.733 -0.932 -8.222 1.00 0.00 C ATOM 1026 O PHE A 64 0.167 -0.240 -8.719 1.00 0.00 O ATOM 1027 CB PHE A 64 0.457 -1.684 -6.133 1.00 0.00 C ATOM 1028 CG PHE A 64 1.941 -1.968 -6.303 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.671 -1.370 -7.323 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.597 -2.841 -5.444 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.018 -1.639 -7.485 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.944 -3.110 -5.600 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.655 -2.511 -6.621 1.00 0.00 C ATOM 0 H PHE A 64 1.243 -2.926 -8.317 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.342 -2.533 -6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.318 -0.615 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.101 -2.190 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.180 -0.686 -7.999 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.048 -3.315 -4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.571 -1.169 -8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.441 -3.789 -4.923 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.707 -2.723 -6.745 1.00 0.00 H new ATOM 1043 N LEU A 65 -2.014 -0.690 -8.448 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.431 0.425 -9.275 1.00 0.00 C ATOM 1045 C LEU A 65 -3.682 1.094 -8.705 1.00 0.00 C ATOM 1046 O LEU A 65 -4.397 0.521 -7.889 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.627 -0.011 -10.771 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.912 -0.786 -11.156 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.175 -1.926 -10.208 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.115 0.151 -11.260 1.00 0.00 C ATOM 0 H LEU A 65 -2.779 -1.250 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.633 1.167 -9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.586 0.888 -11.386 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.773 -0.627 -11.051 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.751 -1.220 -12.143 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.084 -2.447 -10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.335 -2.620 -10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.297 -1.538 -9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.001 -0.423 -11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.280 0.640 -10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.924 0.906 -12.023 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.940 2.304 -9.140 1.00 0.00 N ATOM 1063 CA PHE A 66 -5.102 3.053 -8.706 1.00 0.00 C ATOM 1064 C PHE A 66 -5.639 3.844 -9.866 1.00 0.00 C ATOM 1065 O PHE A 66 -4.870 4.446 -10.597 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.742 3.989 -7.552 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.871 4.873 -7.113 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.914 4.359 -6.378 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.883 6.221 -7.437 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.955 5.165 -5.966 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.921 7.036 -7.031 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.960 6.507 -6.293 1.00 0.00 C ATOM 0 H PHE A 66 -3.350 2.801 -9.807 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.863 2.358 -8.352 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.409 3.392 -6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.900 4.613 -7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.918 3.310 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.071 6.638 -8.014 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.766 4.747 -5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.920 8.084 -7.290 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.774 7.140 -5.972 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.966 3.823 -10.048 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.668 4.536 -11.138 1.00 0.00 C ATOM 1084 C GLU A 67 -7.031 4.280 -12.509 1.00 0.00 C ATOM 1085 O GLU A 67 -7.121 5.103 -13.415 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.771 6.049 -10.865 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.466 6.798 -10.978 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.664 8.285 -11.118 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.721 8.977 -10.085 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.779 8.773 -12.267 1.00 0.00 O ATOM 0 H GLU A 67 -7.596 3.304 -9.436 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.678 4.127 -11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.486 6.483 -11.564 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.174 6.198 -9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.858 6.597 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.911 6.426 -11.839 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.428 3.121 -12.675 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.785 2.796 -13.928 1.00 0.00 C ATOM 1099 C GLY A 68 -4.392 3.388 -14.055 1.00 0.00 C ATOM 1100 O GLY A 68 -3.924 3.658 -15.160 1.00 0.00 O ATOM 0 H GLY A 68 -6.370 2.394 -11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.723 1.712 -14.027 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.403 3.156 -14.751 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.726 3.600 -12.933 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.364 4.125 -12.938 1.00 0.00 C ATOM 1106 C GLN A 69 -1.499 3.285 -12.005 1.00 0.00 C ATOM 1107 O GLN A 69 -1.935 2.916 -10.914 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.345 5.600 -12.480 1.00 0.00 C ATOM 1109 CG GLN A 69 -2.109 5.778 -10.982 1.00 0.00 C ATOM 1110 CD GLN A 69 -2.272 7.200 -10.510 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -3.448 7.519 -10.034 1.00 0.00 O flip ATOM 1112 NE2 GLN A 69 -1.332 7.986 -10.537 1.00 0.00 N flip ATOM 0 H GLN A 69 -4.104 3.417 -12.003 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.971 4.076 -13.953 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.565 6.130 -13.027 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.294 6.066 -12.747 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.804 5.141 -10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.103 5.436 -10.738 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.432 7.692 -10.918 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.449 8.934 -10.179 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.299 2.946 -12.426 1.00 0.00 N ATOM 1122 CA ARG A 70 0.600 2.178 -11.582 1.00 0.00 C ATOM 1123 C ARG A 70 1.108 3.024 -10.433 1.00 0.00 C ATOM 1124 O ARG A 70 1.311 4.239 -10.561 1.00 0.00 O ATOM 1125 CB ARG A 70 1.771 1.598 -12.401 1.00 0.00 C ATOM 1126 CG ARG A 70 2.654 2.641 -13.079 1.00 0.00 C ATOM 1127 CD ARG A 70 3.839 3.057 -12.212 1.00 0.00 C ATOM 1128 NE ARG A 70 4.711 1.926 -11.870 1.00 0.00 N ATOM 1129 CZ ARG A 70 6.001 2.047 -11.527 1.00 0.00 C ATOM 1130 NH1 ARG A 70 6.607 3.233 -11.595 1.00 0.00 N ATOM 1131 NH2 ARG A 70 6.691 0.973 -11.147 1.00 0.00 N ATOM 0 H ARG A 70 0.078 3.187 -13.343 1.00 0.00 H new ATOM 0 HA ARG A 70 0.040 1.341 -11.166 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.391 0.990 -11.742 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.368 0.932 -13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.022 2.242 -14.024 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.055 3.520 -13.316 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.421 3.814 -12.737 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.470 3.517 -11.295 1.00 0.00 H new ATOM 0 HE ARG A 70 4.309 0.989 -11.895 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.089 4.053 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.589 3.320 -11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.238 0.060 -11.117 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.673 1.064 -10.886 1.00 0.00 H new ATOM 1145 N ILE A 71 1.307 2.405 -9.308 1.00 0.00 N ATOM 1146 CA ILE A 71 1.780 3.115 -8.154 1.00 0.00 C ATOM 1147 C ILE A 71 3.272 2.902 -7.990 1.00 0.00 C ATOM 1148 O ILE A 71 3.740 1.778 -7.839 1.00 0.00 O ATOM 1149 CB ILE A 71 1.069 2.661 -6.864 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.449 2.533 -7.073 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.367 3.632 -5.746 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.120 3.783 -7.604 1.00 0.00 C ATOM 0 H ILE A 71 1.149 1.408 -9.163 1.00 0.00 H new ATOM 0 HA ILE A 71 1.561 4.171 -8.314 1.00 0.00 H new ATOM 0 HB ILE A 71 1.448 1.675 -6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.639 1.712 -7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.912 2.263 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.862 3.306 -4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.442 3.667 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.012 4.625 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.188 3.601 -7.720 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.966 4.604 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.689 4.045 -8.570 1.00 0.00 H new ATOM 1164 N ALA A 72 4.024 3.974 -7.998 1.00 0.00 N ATOM 1165 CA ALA A 72 5.460 3.878 -7.862 1.00 0.00 C ATOM 1166 C ALA A 72 5.854 4.086 -6.427 1.00 0.00 C ATOM 1167 O ALA A 72 5.060 4.566 -5.619 1.00 0.00 O ATOM 1168 CB ALA A 72 6.149 4.892 -8.745 1.00 0.00 C ATOM 0 H ALA A 72 3.668 4.925 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 72 5.773 2.882 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.229 4.803 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.881 4.710 -9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.835 5.896 -8.460 1.00 0.00 H new ATOM 1174 N ASP A 73 7.075 3.722 -6.094 1.00 0.00 N ATOM 1175 CA ASP A 73 7.584 3.881 -4.744 1.00 0.00 C ATOM 1176 C ASP A 73 7.690 5.353 -4.383 1.00 0.00 C ATOM 1177 O ASP A 73 7.675 5.725 -3.214 1.00 0.00 O ATOM 1178 CB ASP A 73 8.952 3.199 -4.603 1.00 0.00 C ATOM 1179 CG ASP A 73 9.991 3.765 -5.546 1.00 0.00 C ATOM 1180 OD1 ASP A 73 9.927 3.460 -6.759 1.00 0.00 O ATOM 1181 OD2 ASP A 73 10.877 4.519 -5.079 1.00 0.00 O ATOM 0 H ASP A 73 7.741 3.309 -6.747 1.00 0.00 H new ATOM 0 HA ASP A 73 6.885 3.406 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.303 3.307 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.841 2.131 -4.791 1.00 0.00 H new ATOM 1186 N ASN A 74 7.758 6.203 -5.393 1.00 0.00 N ATOM 1187 CA ASN A 74 7.870 7.631 -5.168 1.00 0.00 C ATOM 1188 C ASN A 74 6.515 8.283 -5.282 1.00 0.00 C ATOM 1189 O ASN A 74 6.393 9.495 -5.167 1.00 0.00 O ATOM 1190 CB ASN A 74 8.816 8.284 -6.179 1.00 0.00 C ATOM 1191 CG ASN A 74 10.075 7.492 -6.393 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.061 7.668 -5.682 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.056 6.634 -7.388 1.00 0.00 N ATOM 0 H ASN A 74 7.738 5.928 -6.375 1.00 0.00 H new ATOM 0 HA ASN A 74 8.273 7.773 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.299 8.400 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.076 9.285 -5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.885 6.078 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.212 6.524 -7.950 1.00 0.00 H new ATOM 1200 N HIS A 75 5.478 7.487 -5.509 1.00 0.00 N ATOM 1201 CA HIS A 75 4.138 8.053 -5.634 1.00 0.00 C ATOM 1202 C HIS A 75 3.561 8.273 -4.262 1.00 0.00 C ATOM 1203 O HIS A 75 3.875 7.545 -3.342 1.00 0.00 O ATOM 1204 CB HIS A 75 3.217 7.152 -6.470 1.00 0.00 C ATOM 1205 CG HIS A 75 3.103 7.574 -7.910 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.365 6.876 -8.850 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.623 8.641 -8.565 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.445 7.495 -10.013 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.199 8.563 -9.864 1.00 0.00 N ATOM 0 H HIS A 75 5.533 6.473 -5.608 1.00 0.00 H new ATOM 0 HA HIS A 75 4.213 9.007 -6.156 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.590 6.129 -6.429 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.223 7.148 -6.022 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.254 9.409 -8.141 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.972 7.179 -10.931 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.431 9.229 -10.601 1.00 0.00 H new ATOM 1218 N THR A 76 2.772 9.304 -4.099 1.00 0.00 N ATOM 1219 CA THR A 76 2.163 9.584 -2.807 1.00 0.00 C ATOM 1220 C THR A 76 0.648 9.585 -2.901 1.00 0.00 C ATOM 1221 O THR A 76 0.087 9.821 -3.976 1.00 0.00 O ATOM 1222 CB THR A 76 2.639 10.942 -2.259 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.264 11.980 -3.156 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.138 10.953 -2.098 1.00 0.00 C ATOM 0 H THR A 76 2.532 9.966 -4.837 1.00 0.00 H new ATOM 0 HA THR A 76 2.473 8.792 -2.126 1.00 0.00 H new ATOM 0 HB THR A 76 2.173 11.102 -1.287 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.064 12.340 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.455 11.921 -1.710 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.435 10.168 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.609 10.778 -3.065 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.044 9.325 -1.774 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.504 9.312 -1.736 1.00 0.00 C ATOM 1234 C PRO A 77 -2.075 10.676 -2.095 1.00 0.00 C ATOM 1235 O PRO A 77 -3.070 10.788 -2.800 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.834 8.978 -0.272 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.586 8.402 0.298 1.00 0.00 C ATOM 1238 CD PRO A 77 0.548 9.023 -0.456 1.00 0.00 C ATOM 0 HA PRO A 77 -1.926 8.603 -2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.139 9.870 0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.658 8.268 -0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.509 8.619 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.575 7.317 0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.913 9.924 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.395 8.342 -0.542 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.414 11.717 -1.624 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.850 13.084 -1.861 1.00 0.00 C ATOM 1248 C LYS A 78 -1.723 13.444 -3.334 1.00 0.00 C ATOM 1249 O LYS A 78 -2.591 14.107 -3.901 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.017 14.049 -1.030 1.00 0.00 C ATOM 1251 CG LYS A 78 0.451 13.949 -1.339 1.00 0.00 C ATOM 1252 CD LYS A 78 1.252 15.062 -0.739 1.00 0.00 C ATOM 1253 CE LYS A 78 2.625 15.083 -1.361 1.00 0.00 C ATOM 1254 NZ LYS A 78 3.533 16.050 -0.694 1.00 0.00 N ATOM 0 H LYS A 78 -0.562 11.641 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.897 13.162 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.356 15.069 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.178 13.845 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.830 12.996 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.590 13.950 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.751 16.016 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.331 14.927 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.060 14.085 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.539 15.339 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.459 16.040 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.125 17.005 -0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.652 15.783 0.304 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.646 12.993 -3.966 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.395 13.321 -5.345 1.00 0.00 C ATOM 1270 C GLU A 79 -1.288 12.537 -6.274 1.00 0.00 C ATOM 1271 O GLU A 79 -1.687 13.025 -7.327 1.00 0.00 O ATOM 1272 CB GLU A 79 1.061 13.103 -5.707 1.00 0.00 C ATOM 1273 CG GLU A 79 1.976 14.215 -5.220 1.00 0.00 C ATOM 1274 CD GLU A 79 1.525 15.588 -5.681 1.00 0.00 C ATOM 1275 OE1 GLU A 79 0.531 16.113 -5.132 1.00 0.00 O ATOM 1276 OE2 GLU A 79 2.157 16.148 -6.594 1.00 0.00 O ATOM 0 H GLU A 79 0.063 12.399 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.625 14.379 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.395 12.156 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.150 13.017 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.015 14.197 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.989 14.030 -5.579 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.606 11.308 -5.894 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.469 10.478 -6.718 1.00 0.00 C ATOM 1285 C LEU A 80 -3.938 10.805 -6.464 1.00 0.00 C ATOM 1286 O LEU A 80 -4.835 10.222 -7.071 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.204 8.984 -6.487 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.742 8.518 -6.632 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.678 7.039 -6.940 1.00 0.00 C ATOM 1290 CD2 LEU A 80 -0.007 9.313 -7.688 1.00 0.00 C ATOM 0 H LEU A 80 -1.284 10.869 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.238 10.700 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.547 8.727 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.815 8.416 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.246 8.695 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.363 6.733 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.147 6.478 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.205 6.839 -7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.020 8.957 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.505 9.188 -8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.006 10.368 -7.414 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.180 11.735 -5.550 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.533 12.172 -5.265 1.00 0.00 C ATOM 1304 C GLY A 81 -6.313 11.182 -4.428 1.00 0.00 C ATOM 1305 O GLY A 81 -7.457 10.851 -4.741 1.00 0.00 O ATOM 0 H GLY A 81 -3.458 12.197 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.497 13.129 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.060 12.339 -6.204 1.00 0.00 H new ATOM 1309 N MET A 82 -5.699 10.691 -3.377 1.00 0.00 N ATOM 1310 CA MET A 82 -6.341 9.755 -2.470 1.00 0.00 C ATOM 1311 C MET A 82 -6.675 10.458 -1.162 1.00 0.00 C ATOM 1312 O MET A 82 -6.205 11.569 -0.909 1.00 0.00 O ATOM 1313 CB MET A 82 -5.399 8.584 -2.186 1.00 0.00 C ATOM 1314 CG MET A 82 -4.982 7.802 -3.417 1.00 0.00 C ATOM 1315 SD MET A 82 -3.683 6.601 -3.054 1.00 0.00 S ATOM 1316 CE MET A 82 -3.374 5.934 -4.683 1.00 0.00 C ATOM 0 H MET A 82 -4.740 10.926 -3.122 1.00 0.00 H new ATOM 0 HA MET A 82 -7.257 9.383 -2.930 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.505 8.964 -1.692 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.885 7.904 -1.486 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.849 7.284 -3.827 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.631 8.493 -4.183 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.365 5.524 -4.723 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.095 5.145 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.473 6.726 -5.425 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.479 9.824 -0.330 1.00 0.00 N ATOM 1327 CA GLU A 83 -7.838 10.378 0.966 1.00 0.00 C ATOM 1328 C GLU A 83 -8.064 9.252 1.968 1.00 0.00 C ATOM 1329 O GLU A 83 -7.771 8.090 1.674 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.076 11.277 0.853 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.313 10.581 0.318 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.452 11.544 0.094 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.060 11.995 1.087 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -11.740 11.866 -1.080 1.00 0.00 O ATOM 0 H GLU A 83 -7.900 8.917 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.015 10.998 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.303 11.687 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.839 12.120 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.071 10.082 -0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.625 9.807 1.019 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.570 9.575 3.152 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.782 8.560 4.169 1.00 0.00 C ATOM 1343 C GLU A 84 -9.854 7.567 3.755 1.00 0.00 C ATOM 1344 O GLU A 84 -10.901 7.935 3.219 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.121 9.172 5.528 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.393 9.983 5.545 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.889 10.239 6.943 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -10.431 11.208 7.572 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -11.747 9.468 7.421 1.00 0.00 O ATOM 0 H GLU A 84 -8.837 10.520 3.427 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.839 8.023 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.205 8.371 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.294 9.809 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.221 10.935 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.163 9.459 4.979 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.551 6.298 3.978 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.424 5.175 3.691 1.00 0.00 C ATOM 1358 C GLU A 85 -10.507 4.864 2.198 1.00 0.00 C ATOM 1359 O GLU A 85 -11.298 4.014 1.772 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.794 5.353 4.325 1.00 0.00 C ATOM 1361 CG GLU A 85 -11.767 5.235 5.834 1.00 0.00 C ATOM 1362 CD GLU A 85 -13.138 5.070 6.428 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -13.806 6.086 6.679 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -13.548 3.913 6.661 1.00 0.00 O ATOM 0 H GLU A 85 -8.657 6.013 4.379 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.972 4.298 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.192 6.330 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.476 4.605 3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.148 4.383 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.298 6.124 6.255 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.683 5.550 1.397 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.604 5.280 -0.041 1.00 0.00 C ATOM 1373 C ASP A 86 -9.122 3.854 -0.280 1.00 0.00 C ATOM 1374 O ASP A 86 -8.548 3.215 0.612 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.660 6.260 -0.732 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.109 6.609 -2.136 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.246 5.699 -2.970 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -9.339 7.811 -2.403 1.00 0.00 O ATOM 0 H ASP A 86 -9.064 6.293 1.720 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.602 5.404 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.591 7.172 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.660 5.829 -0.771 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.331 3.351 -1.468 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.983 1.983 -1.775 1.00 0.00 C ATOM 1385 C VAL A 87 -8.108 1.883 -3.027 1.00 0.00 C ATOM 1386 O VAL A 87 -8.296 2.609 -4.004 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.259 1.117 -1.945 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.172 1.703 -3.008 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.903 -0.324 -2.267 1.00 0.00 C ATOM 0 H VAL A 87 -9.742 3.869 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.404 1.602 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.797 1.123 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.060 1.079 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.468 2.711 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.644 1.740 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.816 -0.908 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.332 -0.359 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.305 -0.741 -1.457 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.152 0.971 -2.994 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.248 0.753 -4.104 1.00 0.00 C ATOM 1401 C ILE A 88 -6.489 -0.643 -4.684 1.00 0.00 C ATOM 1402 O ILE A 88 -6.931 -1.555 -3.971 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.760 0.896 -3.660 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.564 2.186 -2.862 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.820 0.875 -4.858 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.635 1.992 -1.365 1.00 0.00 C ATOM 0 H ILE A 88 -6.982 0.361 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.443 1.510 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.519 0.044 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.596 2.617 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.324 2.907 -3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.791 0.977 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.933 -0.068 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.063 1.702 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.487 2.950 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.612 1.590 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.857 1.296 -1.051 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.185 -0.826 -5.954 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.443 -2.083 -6.627 1.00 0.00 C ATOM 1420 C GLU A 89 -5.143 -2.852 -6.809 1.00 0.00 C ATOM 1421 O GLU A 89 -4.110 -2.280 -7.169 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.077 -1.822 -7.988 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.564 -3.071 -8.693 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.913 -3.530 -8.199 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -8.971 -4.226 -7.170 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -9.932 -3.196 -8.846 1.00 0.00 O ATOM 0 H GLU A 89 -5.756 -0.113 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.127 -2.675 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.917 -1.139 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.350 -1.318 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.620 -2.880 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.838 -3.871 -8.549 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.170 -4.137 -6.530 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.000 -4.969 -6.686 1.00 0.00 C ATOM 1435 C VAL A 90 -4.321 -6.203 -7.512 1.00 0.00 C ATOM 1436 O VAL A 90 -5.330 -6.868 -7.298 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.444 -5.401 -5.312 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.232 -6.315 -5.467 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.094 -4.181 -4.482 1.00 0.00 C ATOM 0 H VAL A 90 -5.996 -4.630 -6.192 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.244 -4.379 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.219 -5.966 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.864 -6.602 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.519 -7.209 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.446 -5.789 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.703 -4.499 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.340 -3.591 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.988 -3.575 -4.331 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.457 -6.514 -8.449 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.628 -7.671 -9.305 1.00 0.00 C ATOM 1451 C TYR A 91 -2.437 -8.600 -9.160 1.00 0.00 C ATOM 1452 O TYR A 91 -1.511 -8.317 -8.411 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.783 -7.245 -10.764 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.101 -6.578 -11.088 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.223 -7.336 -11.398 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.219 -5.196 -11.107 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.427 -6.737 -11.713 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.418 -4.588 -11.426 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.520 -5.364 -11.727 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.720 -4.762 -12.046 1.00 0.00 O ATOM 0 H TYR A 91 -2.614 -5.973 -8.642 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.534 -8.196 -9.001 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.973 -6.561 -11.017 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.669 -8.123 -11.399 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.153 -8.414 -11.393 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.360 -4.586 -10.869 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.290 -7.342 -11.947 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.493 -3.511 -11.440 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.617 -3.788 -12.009 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.457 -9.708 -9.864 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.371 -10.669 -9.816 1.00 0.00 C ATOM 1472 C GLN A 92 -0.590 -10.625 -11.123 1.00 0.00 C ATOM 1473 O GLN A 92 -1.175 -10.721 -12.196 1.00 0.00 O ATOM 1474 CB GLN A 92 -1.936 -12.075 -9.618 1.00 0.00 C ATOM 1475 CG GLN A 92 -0.943 -13.073 -9.057 1.00 0.00 C ATOM 1476 CD GLN A 92 -0.761 -12.919 -7.562 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.466 -13.545 -6.780 1.00 0.00 O ATOM 1478 NE2 GLN A 92 0.176 -12.085 -7.156 1.00 0.00 N ATOM 0 H GLN A 92 -3.222 -9.971 -10.485 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.711 -10.419 -8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.794 -12.018 -8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.303 -12.445 -10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.283 -14.085 -9.278 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.019 -12.945 -9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.742 -11.582 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.335 -11.943 -6.159 1.00 0.00 H new ATOM 1487 N GLU A 93 0.726 -10.480 -11.049 1.00 0.00 N ATOM 1488 CA GLU A 93 1.546 -10.468 -12.255 1.00 0.00 C ATOM 1489 C GLU A 93 2.527 -11.625 -12.258 1.00 0.00 C ATOM 1490 O GLU A 93 3.555 -11.590 -12.933 1.00 0.00 O ATOM 1491 CB GLU A 93 2.280 -9.135 -12.439 1.00 0.00 C ATOM 1492 CG GLU A 93 3.180 -8.723 -11.289 1.00 0.00 C ATOM 1493 CD GLU A 93 3.990 -7.487 -11.628 1.00 0.00 C ATOM 1494 OE1 GLU A 93 3.432 -6.368 -11.592 1.00 0.00 O ATOM 1495 OE2 GLU A 93 5.182 -7.630 -11.964 1.00 0.00 O ATOM 0 H GLU A 93 1.245 -10.370 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 93 0.870 -10.587 -13.101 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.882 -9.193 -13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.540 -8.351 -12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.574 -8.530 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.854 -9.543 -11.042 1.00 0.00 H new ATOM 1502 N GLN A 94 2.211 -12.654 -11.475 1.00 0.00 N ATOM 1503 CA GLN A 94 3.000 -13.882 -11.443 1.00 0.00 C ATOM 1504 C GLN A 94 2.964 -14.584 -12.817 1.00 0.00 C ATOM 1505 O GLN A 94 2.652 -13.969 -13.840 1.00 0.00 O ATOM 1506 CB GLN A 94 2.470 -14.815 -10.348 1.00 0.00 C ATOM 1507 CG GLN A 94 2.674 -14.275 -8.949 1.00 0.00 C ATOM 1508 CD GLN A 94 2.013 -15.118 -7.876 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.987 -15.761 -8.110 1.00 0.00 O ATOM 1510 NE2 GLN A 94 2.593 -15.120 -6.691 1.00 0.00 N ATOM 0 H GLN A 94 1.406 -12.660 -10.849 1.00 0.00 H new ATOM 0 HA GLN A 94 4.036 -13.629 -11.218 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.406 -14.988 -10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.967 -15.782 -10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.743 -14.212 -8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.279 -13.260 -8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.441 -14.575 -6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.193 -15.667 -5.928 1.00 0.00 H new ATOM 1519 N THR A 95 3.255 -15.857 -12.855 1.00 0.00 N ATOM 1520 CA THR A 95 3.279 -16.555 -14.113 1.00 0.00 C ATOM 1521 C THR A 95 2.773 -17.978 -13.952 1.00 0.00 C ATOM 1522 O THR A 95 3.077 -18.661 -12.969 1.00 0.00 O ATOM 1523 CB THR A 95 4.700 -16.554 -14.745 1.00 0.00 C ATOM 1524 OG1 THR A 95 4.673 -17.202 -16.029 1.00 0.00 O ATOM 1525 CG2 THR A 95 5.714 -17.248 -13.841 1.00 0.00 C ATOM 0 H THR A 95 3.477 -16.427 -12.039 1.00 0.00 H new ATOM 0 HA THR A 95 2.613 -16.022 -14.791 1.00 0.00 H new ATOM 0 HB THR A 95 5.007 -15.515 -14.867 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.390 -17.868 -16.074 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.696 -17.229 -14.314 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.762 -16.730 -12.883 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.409 -18.282 -13.679 1.00 0.00 H new ATOM 1533 N GLY A 96 1.974 -18.422 -14.904 1.00 0.00 N ATOM 1534 CA GLY A 96 1.462 -19.767 -14.866 1.00 0.00 C ATOM 1535 C GLY A 96 2.293 -20.695 -15.716 1.00 0.00 C ATOM 1536 O GLY A 96 1.983 -21.875 -15.862 1.00 0.00 O ATOM 0 H GLY A 96 1.670 -17.870 -15.706 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.451 -20.125 -13.837 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.430 -19.775 -15.217 1.00 0.00 H new ATOM 1540 N GLY A 97 3.358 -20.159 -16.282 1.00 0.00 N ATOM 1541 CA GLY A 97 4.226 -20.933 -17.124 1.00 0.00 C ATOM 1542 C GLY A 97 5.672 -20.604 -16.865 1.00 0.00 C ATOM 1543 O GLY A 97 6.543 -21.453 -17.141 1.00 0.00 O ATOM 1544 OXT GLY A 97 5.948 -19.491 -16.362 1.00 0.00 O ATOM 0 H GLY A 97 3.637 -19.184 -16.168 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.055 -21.995 -16.948 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.988 -20.741 -18.170 1.00 0.00 H new TER 1548 GLY A 97