USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 966 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 109 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 ASN :FLIP amide:sc= -0.508 F(o=-2.2!,f=-0.54) USER MOD Set 2.2: A 33 THR OG1 : rot 12:sc= -0.0274 USER MOD Set 3.1: A 9 LYS NZ :NH3+ -177:sc= -0.342 (180deg=-0.384) USER MOD Set 3.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 33:sc= 0.0613 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 160:sc= -0.231 USER MOD Single : A 17 GLN : amide:sc= 0.184 K(o=0.18,f=-0.5) USER MOD Single : A 18 MET CE :methyl 152:sc= -0.253 (180deg=-0.855) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -87:sc= 1.17 USER MOD Single : A 23 TYR OH : rot 51:sc= 0.299 USER MOD Single : A 25 ASN : amide:sc=-0.00922 X(o=-0.0092,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0925 K(o=-0.092,f=-2.3!) USER MOD Single : A 29 HIS : no HD1:sc=-0.00195 X(o=-0.0019,f=-0.0019) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 34 SER OG : rot -130:sc= -0.365 USER MOD Single : A 42 ASN : amide:sc= -2.03! C(o=-2!,f=-4.5!) USER MOD Single : A 46 HIS : no HE2:sc= -0.825 K(o=-0.82,f=-1.9) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -5.9! C(o=-9.7!,f=-5.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00869) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -20:sc= 0.0106 USER MOD Single : A 62 ASN :FLIP amide:sc= 0.315 F(o=-4.3!,f=0.31) USER MOD Single : A 64 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-3.5!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00158 K(o=-0.0016,f=-1.8) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 69 ASN : amide:sc=-0.000385 X(o=-0.00039,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.56 F(o=-2.1,f=-1.6) USER MOD Single : A 76 LYS NZ :NH3+ -136:sc= -0.274 (180deg=-0.952) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -126:sc= -0.0227 (180deg=-0.648) USER MOD Single : A 90 ASN : amide:sc= -0.0529 K(o=-0.053,f=-2.2) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0534 USER MOD Single : A 101 THR OG1 : rot 73:sc= 0.396 USER MOD Single : A 102 TYR OH : rot 165:sc= -0.136 USER MOD Single : A 105 THR OG1 : rot -64:sc= 1.14 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -155:sc= -0.19 (180deg=-0.746) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 29:sc= 0.242 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.668 17.604 14.413 1.00 0.00 N ATOM 2 CA GLY A 1 11.889 18.345 14.157 1.00 0.00 C ATOM 3 C GLY A 1 12.847 17.591 13.257 1.00 0.00 C ATOM 4 O GLY A 1 13.182 16.438 13.523 1.00 0.00 O ATOM 0 H1 GLY A 1 10.047 18.162 15.033 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.181 17.416 13.514 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.900 16.702 14.876 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.640 19.301 13.697 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.382 18.565 15.104 1.00 0.00 H new ATOM 8 N SER A 2 13.288 18.244 12.186 1.00 0.00 N ATOM 9 CA SER A 2 14.209 17.627 11.240 1.00 0.00 C ATOM 10 C SER A 2 15.530 18.388 11.191 1.00 0.00 C ATOM 11 O SER A 2 15.640 19.497 11.713 1.00 0.00 O ATOM 12 CB SER A 2 13.584 17.578 9.844 1.00 0.00 C ATOM 13 OG SER A 2 13.494 18.875 9.281 1.00 0.00 O ATOM 0 H SER A 2 13.022 19.201 11.952 1.00 0.00 H new ATOM 0 HA SER A 2 14.408 16.610 11.577 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.183 16.937 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.591 17.133 9.902 1.00 0.00 H new ATOM 0 HG SER A 2 13.093 18.817 8.389 1.00 0.00 H new ATOM 19 N SER A 3 16.532 17.783 10.559 1.00 0.00 N ATOM 20 CA SER A 3 17.847 18.401 10.445 1.00 0.00 C ATOM 21 C SER A 3 18.203 18.656 8.984 1.00 0.00 C ATOM 22 O SER A 3 18.712 19.719 8.632 1.00 0.00 O ATOM 23 CB SER A 3 18.910 17.512 11.093 1.00 0.00 C ATOM 24 OG SER A 3 20.165 18.167 11.140 1.00 0.00 O ATOM 0 H SER A 3 16.457 16.866 10.119 1.00 0.00 H new ATOM 0 HA SER A 3 17.817 19.358 10.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.598 17.245 12.103 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.003 16.583 10.531 1.00 0.00 H new ATOM 0 HG SER A 3 20.826 17.578 11.560 1.00 0.00 H new ATOM 30 N GLY A 4 17.930 17.669 8.134 1.00 0.00 N ATOM 31 CA GLY A 4 18.228 17.805 6.720 1.00 0.00 C ATOM 32 C GLY A 4 18.321 16.465 6.016 1.00 0.00 C ATOM 33 O GLY A 4 19.129 15.616 6.391 1.00 0.00 O ATOM 0 H GLY A 4 17.508 16.779 8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.455 18.409 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.169 18.341 6.600 1.00 0.00 H new ATOM 37 N SER A 5 17.492 16.275 4.996 1.00 0.00 N ATOM 38 CA SER A 5 17.480 15.027 4.242 1.00 0.00 C ATOM 39 C SER A 5 17.938 15.256 2.805 1.00 0.00 C ATOM 40 O SER A 5 17.464 16.168 2.128 1.00 0.00 O ATOM 41 CB SER A 5 16.079 14.414 4.250 1.00 0.00 C ATOM 42 OG SER A 5 15.128 15.308 3.699 1.00 0.00 O ATOM 0 H SER A 5 16.819 16.970 4.672 1.00 0.00 H new ATOM 0 HA SER A 5 18.174 14.336 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.082 13.485 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.795 14.161 5.271 1.00 0.00 H new ATOM 0 HG SER A 5 15.549 15.838 2.991 1.00 0.00 H new ATOM 48 N SER A 6 18.866 14.422 2.345 1.00 0.00 N ATOM 49 CA SER A 6 19.392 14.536 0.991 1.00 0.00 C ATOM 50 C SER A 6 18.509 13.781 0.000 1.00 0.00 C ATOM 51 O SER A 6 17.911 14.378 -0.895 1.00 0.00 O ATOM 52 CB SER A 6 20.822 13.995 0.930 1.00 0.00 C ATOM 53 OG SER A 6 21.658 14.661 1.860 1.00 0.00 O ATOM 0 H SER A 6 19.268 13.660 2.891 1.00 0.00 H new ATOM 0 HA SER A 6 19.397 15.591 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.819 12.925 1.140 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.220 14.121 -0.077 1.00 0.00 H new ATOM 0 HG SER A 6 22.566 14.297 1.803 1.00 0.00 H new ATOM 59 N GLY A 7 18.433 12.465 0.168 1.00 0.00 N ATOM 60 CA GLY A 7 17.622 11.650 -0.718 1.00 0.00 C ATOM 61 C GLY A 7 17.215 10.335 -0.084 1.00 0.00 C ATOM 62 O GLY A 7 17.948 9.349 -0.159 1.00 0.00 O ATOM 0 H GLY A 7 18.918 11.948 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.728 12.206 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.178 11.452 -1.635 1.00 0.00 H new ATOM 66 N ALA A 8 16.043 10.320 0.543 1.00 0.00 N ATOM 67 CA ALA A 8 15.539 9.116 1.191 1.00 0.00 C ATOM 68 C ALA A 8 14.088 8.849 0.804 1.00 0.00 C ATOM 69 O ALA A 8 13.408 9.722 0.265 1.00 0.00 O ATOM 70 CB ALA A 8 15.670 9.236 2.702 1.00 0.00 C ATOM 0 H ALA A 8 15.425 11.128 0.616 1.00 0.00 H new ATOM 0 HA ALA A 8 16.139 8.272 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.290 8.330 3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.719 9.370 2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.095 10.094 3.050 1.00 0.00 H new ATOM 76 N LYS A 9 13.620 7.638 1.082 1.00 0.00 N ATOM 77 CA LYS A 9 12.249 7.255 0.764 1.00 0.00 C ATOM 78 C LYS A 9 11.976 7.402 -0.729 1.00 0.00 C ATOM 79 O LYS A 9 10.912 7.872 -1.132 1.00 0.00 O ATOM 80 CB LYS A 9 11.261 8.111 1.560 1.00 0.00 C ATOM 81 CG LYS A 9 11.392 7.949 3.065 1.00 0.00 C ATOM 82 CD LYS A 9 11.026 9.229 3.797 1.00 0.00 C ATOM 83 CE LYS A 9 11.135 9.059 5.305 1.00 0.00 C ATOM 84 NZ LYS A 9 11.504 10.334 5.981 1.00 0.00 N ATOM 0 H LYS A 9 14.170 6.903 1.527 1.00 0.00 H new ATOM 0 HA LYS A 9 12.117 6.208 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.411 9.159 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.245 7.851 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.746 7.138 3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.415 7.666 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.683 10.036 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.009 9.521 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.184 8.700 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.882 8.298 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.618 10.166 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.398 10.690 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.754 11.038 5.828 1.00 0.00 H new ATOM 98 N ASP A 10 12.942 6.995 -1.546 1.00 0.00 N ATOM 99 CA ASP A 10 12.805 7.078 -2.995 1.00 0.00 C ATOM 100 C ASP A 10 12.479 5.712 -3.590 1.00 0.00 C ATOM 101 O ASP A 10 11.576 5.582 -4.415 1.00 0.00 O ATOM 102 CB ASP A 10 14.088 7.629 -3.619 1.00 0.00 C ATOM 103 CG ASP A 10 14.524 8.936 -2.990 1.00 0.00 C ATOM 104 OD1 ASP A 10 13.796 9.939 -3.143 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.593 8.958 -2.345 1.00 0.00 O ATOM 0 H ASP A 10 13.829 6.604 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 10 11.982 7.756 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.885 6.894 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.934 7.777 -4.688 1.00 0.00 H new ATOM 110 N ALA A 11 13.223 4.696 -3.165 1.00 0.00 N ATOM 111 CA ALA A 11 13.013 3.339 -3.656 1.00 0.00 C ATOM 112 C ALA A 11 11.562 2.908 -3.473 1.00 0.00 C ATOM 113 O ALA A 11 10.954 2.340 -4.382 1.00 0.00 O ATOM 114 CB ALA A 11 13.946 2.370 -2.944 1.00 0.00 C ATOM 0 H ALA A 11 13.976 4.786 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 11 13.238 3.326 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.778 1.361 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.981 2.659 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.748 2.395 -1.872 1.00 0.00 H new ATOM 120 N LEU A 12 11.013 3.179 -2.295 1.00 0.00 N ATOM 121 CA LEU A 12 9.631 2.818 -1.994 1.00 0.00 C ATOM 122 C LEU A 12 8.659 3.785 -2.661 1.00 0.00 C ATOM 123 O LEU A 12 7.764 3.370 -3.401 1.00 0.00 O ATOM 124 CB LEU A 12 9.404 2.811 -0.482 1.00 0.00 C ATOM 125 CG LEU A 12 8.100 2.172 -0.002 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.122 0.670 -0.242 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.868 2.475 1.472 1.00 0.00 C ATOM 0 H LEU A 12 11.502 3.647 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 12 9.448 1.818 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.236 2.287 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.433 3.841 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 12 7.276 2.599 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.186 0.232 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.241 0.474 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.955 0.227 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.936 2.013 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.695 2.076 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.807 3.554 1.617 1.00 0.00 H new ATOM 139 N LEU A 13 8.839 5.074 -2.398 1.00 0.00 N ATOM 140 CA LEU A 13 7.978 6.101 -2.974 1.00 0.00 C ATOM 141 C LEU A 13 7.817 5.896 -4.478 1.00 0.00 C ATOM 142 O LEU A 13 6.729 6.073 -5.026 1.00 0.00 O ATOM 143 CB LEU A 13 8.552 7.491 -2.696 1.00 0.00 C ATOM 144 CG LEU A 13 7.807 8.665 -3.334 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.466 8.880 -2.651 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.650 9.930 -3.267 1.00 0.00 C ATOM 0 H LEU A 13 9.574 5.434 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 13 6.996 6.020 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.574 7.644 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.585 7.511 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 13 7.624 8.429 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.950 9.719 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.859 7.980 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.626 9.095 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.105 10.755 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.864 10.170 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.586 9.772 -3.802 1.00 0.00 H new ATOM 158 N LEU A 14 8.907 5.519 -5.138 1.00 0.00 N ATOM 159 CA LEU A 14 8.888 5.287 -6.578 1.00 0.00 C ATOM 160 C LEU A 14 8.053 4.057 -6.919 1.00 0.00 C ATOM 161 O LEU A 14 7.281 4.066 -7.878 1.00 0.00 O ATOM 162 CB LEU A 14 10.313 5.112 -7.105 1.00 0.00 C ATOM 163 CG LEU A 14 10.440 4.572 -8.530 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.839 5.551 -9.528 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.897 4.291 -8.867 1.00 0.00 C ATOM 0 H LEU A 14 9.815 5.368 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 14 8.435 6.156 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.818 6.077 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.847 4.439 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 14 9.887 3.635 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.939 5.150 -10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.784 5.701 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.363 6.504 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.968 3.907 -9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.474 5.212 -8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.295 3.551 -8.172 1.00 0.00 H new ATOM 177 N TRP A 15 8.213 3.002 -6.129 1.00 0.00 N ATOM 178 CA TRP A 15 7.471 1.765 -6.347 1.00 0.00 C ATOM 179 C TRP A 15 5.972 2.034 -6.415 1.00 0.00 C ATOM 180 O TRP A 15 5.335 1.793 -7.442 1.00 0.00 O ATOM 181 CB TRP A 15 7.772 0.763 -5.230 1.00 0.00 C ATOM 182 CG TRP A 15 7.300 -0.626 -5.536 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.846 -1.498 -6.435 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.185 -1.303 -4.945 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.139 -2.675 -6.439 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.115 -2.581 -5.533 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.241 -0.954 -3.977 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.137 -3.509 -5.182 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.271 -1.875 -3.629 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.225 -3.140 -4.230 1.00 0.00 C ATOM 0 H TRP A 15 8.849 2.978 -5.332 1.00 0.00 H new ATOM 0 HA TRP A 15 7.789 1.343 -7.300 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.847 0.742 -5.050 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.301 1.105 -4.308 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.708 -1.292 -7.052 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.343 -3.487 -7.021 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.268 0.019 -3.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.100 -4.484 -5.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.536 -1.615 -2.881 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.455 -3.838 -3.936 1.00 0.00 H new ATOM 201 N CYS A 16 5.414 2.533 -5.318 1.00 0.00 N ATOM 202 CA CYS A 16 3.988 2.833 -5.254 1.00 0.00 C ATOM 203 C CYS A 16 3.564 3.707 -6.430 1.00 0.00 C ATOM 204 O CYS A 16 2.554 3.440 -7.082 1.00 0.00 O ATOM 205 CB CYS A 16 3.651 3.533 -3.937 1.00 0.00 C ATOM 206 SG CYS A 16 4.336 2.720 -2.474 1.00 0.00 S ATOM 0 H CYS A 16 5.927 2.738 -4.461 1.00 0.00 H new ATOM 0 HA CYS A 16 3.441 1.892 -5.307 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.021 4.557 -3.977 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.567 3.589 -3.835 1.00 0.00 H new ATOM 0 HG CYS A 16 4.377 3.565 -1.487 1.00 0.00 H new ATOM 212 N GLN A 17 4.341 4.753 -6.696 1.00 0.00 N ATOM 213 CA GLN A 17 4.043 5.666 -7.791 1.00 0.00 C ATOM 214 C GLN A 17 3.953 4.917 -9.117 1.00 0.00 C ATOM 215 O GLN A 17 3.073 5.186 -9.934 1.00 0.00 O ATOM 216 CB GLN A 17 5.113 6.755 -7.880 1.00 0.00 C ATOM 217 CG GLN A 17 4.869 7.927 -6.943 1.00 0.00 C ATOM 218 CD GLN A 17 5.808 9.089 -7.203 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.892 8.913 -7.761 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.396 10.285 -6.800 1.00 0.00 N ATOM 0 H GLN A 17 5.181 4.988 -6.167 1.00 0.00 H new ATOM 0 HA GLN A 17 3.077 6.130 -7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.085 6.317 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.160 7.124 -8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.839 8.266 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.987 7.593 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.490 10.385 -6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.985 11.104 -6.949 1.00 0.00 H new ATOM 229 N MET A 18 4.868 3.975 -9.321 1.00 0.00 N ATOM 230 CA MET A 18 4.890 3.186 -10.547 1.00 0.00 C ATOM 231 C MET A 18 3.610 2.368 -10.691 1.00 0.00 C ATOM 232 O MET A 18 2.941 2.421 -11.723 1.00 0.00 O ATOM 233 CB MET A 18 6.106 2.258 -10.560 1.00 0.00 C ATOM 234 CG MET A 18 7.409 2.967 -10.887 1.00 0.00 C ATOM 235 SD MET A 18 8.656 1.853 -11.563 1.00 0.00 S ATOM 236 CE MET A 18 9.239 1.052 -10.071 1.00 0.00 C ATOM 0 H MET A 18 5.603 3.740 -8.654 1.00 0.00 H new ATOM 0 HA MET A 18 4.957 3.873 -11.390 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.197 1.779 -9.585 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.940 1.466 -11.290 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.214 3.765 -11.603 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.799 3.437 -9.984 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.604 0.054 -10.313 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.048 1.639 -9.635 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.420 0.975 -9.356 1.00 0.00 H new ATOM 246 N LYS A 19 3.276 1.614 -9.650 1.00 0.00 N ATOM 247 CA LYS A 19 2.076 0.786 -9.660 1.00 0.00 C ATOM 248 C LYS A 19 0.821 1.646 -9.774 1.00 0.00 C ATOM 249 O LYS A 19 0.061 1.532 -10.736 1.00 0.00 O ATOM 250 CB LYS A 19 2.008 -0.065 -8.389 1.00 0.00 C ATOM 251 CG LYS A 19 3.297 -0.811 -8.088 1.00 0.00 C ATOM 252 CD LYS A 19 3.746 -1.648 -9.274 1.00 0.00 C ATOM 253 CE LYS A 19 4.665 -2.781 -8.841 1.00 0.00 C ATOM 254 NZ LYS A 19 4.935 -3.732 -9.954 1.00 0.00 N ATOM 0 H LYS A 19 3.819 1.559 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 19 2.126 0.130 -10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.764 0.578 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.195 -0.785 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.079 -0.098 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.152 -1.455 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.873 -2.060 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.263 -1.013 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.607 -2.367 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.212 -3.317 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.565 -4.489 -9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.039 -4.146 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.390 -3.226 -10.740 1.00 0.00 H new ATOM 268 N THR A 20 0.611 2.513 -8.786 1.00 0.00 N ATOM 269 CA THR A 20 -0.551 3.393 -8.777 1.00 0.00 C ATOM 270 C THR A 20 -0.716 4.100 -10.117 1.00 0.00 C ATOM 271 O THR A 20 -1.811 4.538 -10.468 1.00 0.00 O ATOM 272 CB THR A 20 -0.445 4.449 -7.661 1.00 0.00 C ATOM 273 OG1 THR A 20 0.773 5.189 -7.800 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.492 3.794 -6.289 1.00 0.00 C ATOM 0 H THR A 20 1.230 2.624 -7.983 1.00 0.00 H new ATOM 0 HA THR A 20 -1.423 2.765 -8.592 1.00 0.00 H new ATOM 0 HB THR A 20 -1.294 5.127 -7.752 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.496 4.720 -7.334 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.415 4.560 -5.517 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.433 3.256 -6.175 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.339 3.096 -6.191 1.00 0.00 H new ATOM 282 N ALA A 21 0.379 4.207 -10.863 1.00 0.00 N ATOM 283 CA ALA A 21 0.355 4.860 -12.166 1.00 0.00 C ATOM 284 C ALA A 21 -0.866 4.429 -12.972 1.00 0.00 C ATOM 285 O ALA A 21 -1.601 5.264 -13.497 1.00 0.00 O ATOM 286 CB ALA A 21 1.632 4.553 -12.934 1.00 0.00 C ATOM 0 H ALA A 21 1.294 3.850 -10.587 1.00 0.00 H new ATOM 0 HA ALA A 21 0.291 5.936 -12.005 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.600 5.047 -13.905 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.492 4.916 -12.370 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.720 3.476 -13.078 1.00 0.00 H new ATOM 292 N GLY A 22 -1.076 3.120 -13.066 1.00 0.00 N ATOM 293 CA GLY A 22 -2.209 2.602 -13.811 1.00 0.00 C ATOM 294 C GLY A 22 -3.490 3.357 -13.519 1.00 0.00 C ATOM 295 O GLY A 22 -4.233 3.712 -14.435 1.00 0.00 O ATOM 0 H GLY A 22 -0.482 2.409 -12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.994 2.657 -14.878 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.349 1.549 -13.568 1.00 0.00 H new ATOM 299 N TYR A 23 -3.751 3.604 -12.239 1.00 0.00 N ATOM 300 CA TYR A 23 -4.953 4.319 -11.828 1.00 0.00 C ATOM 301 C TYR A 23 -4.723 5.827 -11.848 1.00 0.00 C ATOM 302 O TYR A 23 -3.844 6.356 -11.167 1.00 0.00 O ATOM 303 CB TYR A 23 -5.383 3.875 -10.429 1.00 0.00 C ATOM 304 CG TYR A 23 -5.268 2.384 -10.205 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.056 1.806 -9.852 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.374 1.554 -10.346 1.00 0.00 C ATOM 307 CE1 TYR A 23 -3.947 0.443 -9.647 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.274 0.191 -10.142 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.059 -0.359 -9.792 1.00 0.00 C ATOM 310 OH TYR A 23 -4.955 -1.716 -9.588 1.00 0.00 O ATOM 0 H TYR A 23 -3.146 3.319 -11.469 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.747 4.082 -12.536 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.773 4.393 -9.689 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.416 4.181 -10.261 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.183 2.432 -9.736 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.327 1.981 -10.620 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.996 0.009 -9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.143 -0.440 -10.256 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.525 -1.885 -8.724 1.00 0.00 H new ATOM 320 N PRO A 24 -5.534 6.538 -12.646 1.00 0.00 N ATOM 321 CA PRO A 24 -5.441 7.995 -12.773 1.00 0.00 C ATOM 322 C PRO A 24 -5.891 8.718 -11.508 1.00 0.00 C ATOM 323 O PRO A 24 -5.403 9.803 -11.195 1.00 0.00 O ATOM 324 CB PRO A 24 -6.385 8.311 -13.935 1.00 0.00 C ATOM 325 CG PRO A 24 -7.364 7.187 -13.944 1.00 0.00 C ATOM 326 CD PRO A 24 -6.605 5.973 -13.485 1.00 0.00 C ATOM 0 HA PRO A 24 -4.415 8.325 -12.938 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.884 9.269 -13.791 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.844 8.372 -14.879 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.204 7.396 -13.281 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.775 7.036 -14.942 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.241 5.291 -12.920 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.202 5.409 -14.326 1.00 0.00 H new ATOM 334 N ASN A 25 -6.824 8.108 -10.785 1.00 0.00 N ATOM 335 CA ASN A 25 -7.341 8.694 -9.554 1.00 0.00 C ATOM 336 C ASN A 25 -6.465 8.318 -8.363 1.00 0.00 C ATOM 337 O ASN A 25 -6.879 8.439 -7.210 1.00 0.00 O ATOM 338 CB ASN A 25 -8.779 8.232 -9.308 1.00 0.00 C ATOM 339 CG ASN A 25 -9.636 8.322 -10.557 1.00 0.00 C ATOM 340 OD1 ASN A 25 -10.290 7.354 -10.944 1.00 0.00 O ATOM 341 ND2 ASN A 25 -9.636 9.488 -11.191 1.00 0.00 N ATOM 0 H ASN A 25 -7.237 7.208 -11.030 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.329 9.778 -9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.771 7.203 -8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.224 8.840 -8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.194 9.609 -12.036 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.078 10.263 -10.833 1.00 0.00 H new ATOM 348 N VAL A 26 -5.249 7.862 -8.650 1.00 0.00 N ATOM 349 CA VAL A 26 -4.312 7.470 -7.604 1.00 0.00 C ATOM 350 C VAL A 26 -2.927 8.054 -7.859 1.00 0.00 C ATOM 351 O VAL A 26 -2.297 7.762 -8.874 1.00 0.00 O ATOM 352 CB VAL A 26 -4.200 5.938 -7.497 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.358 5.547 -6.291 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.582 5.306 -7.420 1.00 0.00 C ATOM 0 H VAL A 26 -4.890 7.755 -9.599 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.702 7.865 -6.666 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.705 5.564 -8.393 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.290 4.461 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.358 5.968 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.822 5.932 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.483 4.223 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.107 5.684 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.148 5.557 -8.317 1.00 0.00 H new ATOM 364 N ASN A 27 -2.460 8.881 -6.929 1.00 0.00 N ATOM 365 CA ASN A 27 -1.148 9.507 -7.054 1.00 0.00 C ATOM 366 C ASN A 27 -0.400 9.471 -5.724 1.00 0.00 C ATOM 367 O ASN A 27 -0.845 10.052 -4.734 1.00 0.00 O ATOM 368 CB ASN A 27 -1.293 10.952 -7.532 1.00 0.00 C ATOM 369 CG ASN A 27 -0.010 11.494 -8.134 1.00 0.00 C ATOM 370 OD1 ASN A 27 1.076 11.301 -7.587 1.00 0.00 O ATOM 371 ND2 ASN A 27 -0.131 12.175 -9.267 1.00 0.00 N ATOM 0 H ASN A 27 -2.969 9.133 -6.082 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.573 8.945 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.091 11.008 -8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.592 11.581 -6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.697 12.563 -9.720 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.052 12.310 -9.685 1.00 0.00 H new ATOM 378 N VAL A 28 0.738 8.787 -5.709 1.00 0.00 N ATOM 379 CA VAL A 28 1.549 8.677 -4.503 1.00 0.00 C ATOM 380 C VAL A 28 2.671 9.709 -4.498 1.00 0.00 C ATOM 381 O VAL A 28 3.836 9.377 -4.716 1.00 0.00 O ATOM 382 CB VAL A 28 2.161 7.270 -4.363 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.858 7.121 -3.020 1.00 0.00 C ATOM 384 CG2 VAL A 28 1.090 6.204 -4.538 1.00 0.00 C ATOM 0 H VAL A 28 1.120 8.300 -6.520 1.00 0.00 H new ATOM 0 HA VAL A 28 0.885 8.862 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 28 2.906 7.137 -5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.284 6.121 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.654 7.862 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.137 7.274 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.540 5.216 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.321 6.333 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.641 6.298 -5.527 1.00 0.00 H new ATOM 394 N HIS A 29 2.311 10.964 -4.249 1.00 0.00 N ATOM 395 CA HIS A 29 3.289 12.047 -4.215 1.00 0.00 C ATOM 396 C HIS A 29 3.843 12.234 -2.806 1.00 0.00 C ATOM 397 O HIS A 29 4.924 12.794 -2.623 1.00 0.00 O ATOM 398 CB HIS A 29 2.654 13.350 -4.703 1.00 0.00 C ATOM 399 CG HIS A 29 3.626 14.485 -4.810 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.699 15.502 -3.882 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.568 14.760 -5.742 1.00 0.00 C ATOM 402 CE1 HIS A 29 4.643 16.354 -4.240 1.00 0.00 C ATOM 403 NE2 HIS A 29 5.187 15.926 -5.365 1.00 0.00 N ATOM 0 H HIS A 29 1.351 11.257 -4.068 1.00 0.00 H new ATOM 0 HA HIS A 29 4.113 11.782 -4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.198 13.180 -5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.852 13.632 -4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.791 14.171 -6.620 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.923 17.249 -3.704 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.943 16.387 -5.871 1.00 0.00 H new ATOM 412 N ASN A 30 3.095 11.764 -1.813 1.00 0.00 N ATOM 413 CA ASN A 30 3.512 11.881 -0.421 1.00 0.00 C ATOM 414 C ASN A 30 3.105 10.644 0.375 1.00 0.00 C ATOM 415 O ASN A 30 2.359 9.795 -0.115 1.00 0.00 O ATOM 416 CB ASN A 30 2.900 13.132 0.213 1.00 0.00 C ATOM 417 CG ASN A 30 1.539 13.468 -0.367 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.600 12.536 -0.249 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.335 14.551 -0.914 1.00 0.00 N flip ATOM 0 H ASN A 30 2.197 11.299 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 30 4.599 11.964 -0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.807 12.982 1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.573 13.977 0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.086 15.238 -0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.415 14.762 -1.299 1.00 0.00 H new ATOM 426 N PHE A 31 3.600 10.549 1.604 1.00 0.00 N ATOM 427 CA PHE A 31 3.288 9.416 2.468 1.00 0.00 C ATOM 428 C PHE A 31 2.355 9.834 3.599 1.00 0.00 C ATOM 429 O PHE A 31 2.315 9.202 4.654 1.00 0.00 O ATOM 430 CB PHE A 31 4.574 8.821 3.047 1.00 0.00 C ATOM 431 CG PHE A 31 5.359 8.008 2.056 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.798 6.891 1.460 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.655 8.363 1.722 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.519 6.142 0.548 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.380 7.619 0.810 1.00 0.00 C ATOM 436 CZ PHE A 31 6.810 6.507 0.223 1.00 0.00 C ATOM 0 H PHE A 31 4.219 11.242 2.024 1.00 0.00 H new ATOM 0 HA PHE A 31 2.784 8.660 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.203 9.629 3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.322 8.193 3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.788 6.602 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.105 9.232 2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.072 5.272 0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.390 7.907 0.557 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.374 5.923 -0.490 1.00 0.00 H new ATOM 446 N THR A 32 1.603 10.907 3.371 1.00 0.00 N ATOM 447 CA THR A 32 0.669 11.413 4.370 1.00 0.00 C ATOM 448 C THR A 32 -0.723 11.597 3.778 1.00 0.00 C ATOM 449 O THR A 32 -1.662 10.886 4.137 1.00 0.00 O ATOM 450 CB THR A 32 1.147 12.755 4.957 1.00 0.00 C ATOM 451 OG1 THR A 32 1.772 13.540 3.936 1.00 0.00 O ATOM 452 CG2 THR A 32 2.126 12.528 6.100 1.00 0.00 C ATOM 0 H THR A 32 1.623 11.442 2.503 1.00 0.00 H new ATOM 0 HA THR A 32 0.626 10.671 5.167 1.00 0.00 H new ATOM 0 HB THR A 32 0.278 13.287 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.072 14.392 4.316 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.450 13.490 6.498 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.638 11.954 6.888 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.992 11.977 5.733 1.00 0.00 H new ATOM 460 N THR A 33 -0.852 12.557 2.867 1.00 0.00 N ATOM 461 CA THR A 33 -2.130 12.835 2.224 1.00 0.00 C ATOM 462 C THR A 33 -2.323 11.969 0.986 1.00 0.00 C ATOM 463 O THR A 33 -3.007 12.363 0.041 1.00 0.00 O ATOM 464 CB THR A 33 -2.247 14.318 1.825 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.239 14.646 0.861 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.105 15.220 3.041 1.00 0.00 C ATOM 0 H THR A 33 -0.086 13.155 2.558 1.00 0.00 H new ATOM 0 HA THR A 33 -2.907 12.600 2.951 1.00 0.00 H new ATOM 0 HB THR A 33 -3.233 14.477 1.389 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.828 13.823 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.191 16.262 2.733 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.891 14.988 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.131 15.058 3.503 1.00 0.00 H new ATOM 474 N SER A 34 -1.717 10.787 0.995 1.00 0.00 N ATOM 475 CA SER A 34 -1.819 9.865 -0.130 1.00 0.00 C ATOM 476 C SER A 34 -2.474 8.555 0.298 1.00 0.00 C ATOM 477 O SER A 34 -3.044 7.836 -0.522 1.00 0.00 O ATOM 478 CB SER A 34 -0.434 9.588 -0.718 1.00 0.00 C ATOM 479 OG SER A 34 -0.504 8.622 -1.753 1.00 0.00 O ATOM 0 H SER A 34 -1.149 10.444 1.770 1.00 0.00 H new ATOM 0 HA SER A 34 -2.443 10.330 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.009 10.513 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.235 9.236 0.068 1.00 0.00 H new ATOM 0 HG SER A 34 0.167 7.925 -1.596 1.00 0.00 H new ATOM 485 N TRP A 35 -2.387 8.252 1.588 1.00 0.00 N ATOM 486 CA TRP A 35 -2.971 7.028 2.127 1.00 0.00 C ATOM 487 C TRP A 35 -4.054 7.347 3.150 1.00 0.00 C ATOM 488 O TRP A 35 -4.539 6.459 3.851 1.00 0.00 O ATOM 489 CB TRP A 35 -1.885 6.161 2.767 1.00 0.00 C ATOM 490 CG TRP A 35 -0.625 6.092 1.958 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.327 7.063 1.840 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.184 4.992 1.154 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.335 6.634 1.010 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.046 5.367 0.577 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.706 3.729 0.867 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.759 4.522 -0.270 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.002 2.891 0.025 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.224 3.290 -0.534 1.00 0.00 C ATOM 0 H TRP A 35 -1.918 8.836 2.280 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.427 6.478 1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.652 6.555 3.756 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.273 5.152 2.909 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.293 8.026 2.327 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.164 7.172 0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.646 3.412 1.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.700 4.828 -0.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.393 1.913 -0.206 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.754 2.612 -1.186 1.00 0.00 H new ATOM 509 N ARG A 36 -4.430 8.619 3.231 1.00 0.00 N ATOM 510 CA ARG A 36 -5.457 9.054 4.171 1.00 0.00 C ATOM 511 C ARG A 36 -6.805 8.426 3.832 1.00 0.00 C ATOM 512 O ARG A 36 -7.468 7.851 4.696 1.00 0.00 O ATOM 513 CB ARG A 36 -5.575 10.579 4.160 1.00 0.00 C ATOM 514 CG ARG A 36 -6.659 11.113 5.083 1.00 0.00 C ATOM 515 CD ARG A 36 -7.992 11.237 4.361 1.00 0.00 C ATOM 516 NE ARG A 36 -7.954 12.251 3.310 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.941 12.449 2.445 1.00 0.00 C ATOM 518 NH1 ARG A 36 -10.040 11.708 2.505 1.00 0.00 N ATOM 519 NH2 ARG A 36 -8.832 13.391 1.516 1.00 0.00 N ATOM 0 H ARG A 36 -4.039 9.366 2.657 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.164 8.726 5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.617 11.011 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.780 10.912 3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.768 10.449 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.361 12.087 5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.259 10.274 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.771 11.489 5.080 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.124 12.839 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.128 10.983 3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.797 11.863 1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.989 13.963 1.467 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.591 13.542 0.852 1.00 0.00 H new ATOM 533 N ASP A 37 -7.205 8.540 2.571 1.00 0.00 N ATOM 534 CA ASP A 37 -8.474 7.983 2.117 1.00 0.00 C ATOM 535 C ASP A 37 -8.451 6.459 2.177 1.00 0.00 C ATOM 536 O ASP A 37 -9.252 5.843 2.880 1.00 0.00 O ATOM 537 CB ASP A 37 -8.777 8.445 0.691 1.00 0.00 C ATOM 538 CG ASP A 37 -9.910 7.661 0.057 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.765 6.431 -0.097 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.940 8.279 -0.285 1.00 0.00 O ATOM 0 H ASP A 37 -6.669 9.013 1.844 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.259 8.343 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.034 9.504 0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.880 8.341 0.080 1.00 0.00 H new ATOM 545 N GLY A 38 -7.527 5.856 1.434 1.00 0.00 N ATOM 546 CA GLY A 38 -7.418 4.410 1.416 1.00 0.00 C ATOM 547 C GLY A 38 -7.287 3.855 0.012 1.00 0.00 C ATOM 548 O GLY A 38 -6.629 2.837 -0.203 1.00 0.00 O ATOM 0 H GLY A 38 -6.853 6.344 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.553 4.107 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.297 3.977 1.894 1.00 0.00 H new ATOM 552 N LEU A 39 -7.916 4.525 -0.947 1.00 0.00 N ATOM 553 CA LEU A 39 -7.868 4.092 -2.340 1.00 0.00 C ATOM 554 C LEU A 39 -6.490 3.541 -2.693 1.00 0.00 C ATOM 555 O LEU A 39 -6.358 2.394 -3.116 1.00 0.00 O ATOM 556 CB LEU A 39 -8.218 5.256 -3.269 1.00 0.00 C ATOM 557 CG LEU A 39 -9.690 5.670 -3.301 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.901 6.813 -4.282 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.570 4.483 -3.663 1.00 0.00 C ATOM 0 H LEU A 39 -8.465 5.370 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.601 3.296 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.624 6.121 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.914 4.991 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.973 6.015 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.954 7.094 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.299 7.669 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.601 6.495 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.614 4.796 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.287 4.107 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.440 3.695 -2.922 1.00 0.00 H new ATOM 571 N ALA A 40 -5.465 4.368 -2.512 1.00 0.00 N ATOM 572 CA ALA A 40 -4.096 3.962 -2.807 1.00 0.00 C ATOM 573 C ALA A 40 -3.853 2.513 -2.401 1.00 0.00 C ATOM 574 O ALA A 40 -3.500 1.676 -3.231 1.00 0.00 O ATOM 575 CB ALA A 40 -3.111 4.883 -2.102 1.00 0.00 C ATOM 0 H ALA A 40 -5.557 5.322 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.943 4.039 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.092 4.569 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.261 5.907 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.273 4.833 -1.025 1.00 0.00 H new ATOM 581 N PHE A 41 -4.044 2.223 -1.118 1.00 0.00 N ATOM 582 CA PHE A 41 -3.843 0.874 -0.601 1.00 0.00 C ATOM 583 C PHE A 41 -4.654 -0.141 -1.402 1.00 0.00 C ATOM 584 O PHE A 41 -4.141 -1.188 -1.795 1.00 0.00 O ATOM 585 CB PHE A 41 -4.238 0.807 0.876 1.00 0.00 C ATOM 586 CG PHE A 41 -3.203 1.384 1.800 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.878 0.989 1.711 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.557 2.323 2.756 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.924 1.518 2.559 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.607 2.857 3.606 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.289 2.452 3.509 1.00 0.00 C ATOM 0 H PHE A 41 -4.338 2.904 -0.417 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.786 0.628 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.178 1.341 1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.418 -0.233 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.587 0.259 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.586 2.641 2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.106 1.202 2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.894 3.590 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.546 2.865 4.175 1.00 0.00 H new ATOM 601 N ASN A 42 -5.922 0.178 -1.639 1.00 0.00 N ATOM 602 CA ASN A 42 -6.804 -0.706 -2.392 1.00 0.00 C ATOM 603 C ASN A 42 -6.435 -0.713 -3.872 1.00 0.00 C ATOM 604 O ASN A 42 -7.079 -1.379 -4.681 1.00 0.00 O ATOM 605 CB ASN A 42 -8.261 -0.273 -2.221 1.00 0.00 C ATOM 606 CG ASN A 42 -8.705 -0.294 -0.771 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.799 -1.356 -0.154 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.980 0.882 -0.220 1.00 0.00 N ATOM 0 H ASN A 42 -6.362 1.042 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.683 -1.716 -2.001 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.388 0.733 -2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.904 -0.932 -2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.283 0.931 0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.888 1.737 -0.769 1.00 0.00 H new ATOM 615 N ALA A 43 -5.391 0.035 -4.219 1.00 0.00 N ATOM 616 CA ALA A 43 -4.933 0.112 -5.600 1.00 0.00 C ATOM 617 C ALA A 43 -3.735 -0.802 -5.835 1.00 0.00 C ATOM 618 O ALA A 43 -3.616 -1.426 -6.889 1.00 0.00 O ATOM 619 CB ALA A 43 -4.580 1.549 -5.959 1.00 0.00 C ATOM 0 H ALA A 43 -4.848 0.595 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.745 -0.225 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.239 1.592 -6.993 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.460 2.181 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.787 1.904 -5.301 1.00 0.00 H new ATOM 625 N ILE A 44 -2.850 -0.875 -4.846 1.00 0.00 N ATOM 626 CA ILE A 44 -1.662 -1.713 -4.946 1.00 0.00 C ATOM 627 C ILE A 44 -2.038 -3.185 -5.074 1.00 0.00 C ATOM 628 O ILE A 44 -1.480 -3.910 -5.899 1.00 0.00 O ATOM 629 CB ILE A 44 -0.744 -1.536 -3.722 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.359 -0.064 -3.556 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.500 -2.400 -3.863 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.229 0.257 -2.200 1.00 0.00 C ATOM 0 H ILE A 44 -2.934 -0.364 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.127 -1.397 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.285 -1.855 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.362 0.204 -4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.242 0.555 -3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.139 -2.264 -2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.209 -3.448 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.045 -2.109 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.478 1.317 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.498 0.021 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.131 -0.335 -2.045 1.00 0.00 H new ATOM 644 N VAL A 45 -2.989 -3.623 -4.256 1.00 0.00 N ATOM 645 CA VAL A 45 -3.443 -5.007 -4.280 1.00 0.00 C ATOM 646 C VAL A 45 -4.283 -5.289 -5.520 1.00 0.00 C ATOM 647 O VAL A 45 -3.955 -6.168 -6.319 1.00 0.00 O ATOM 648 CB VAL A 45 -4.269 -5.350 -3.026 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.735 -6.797 -3.072 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.459 -5.082 -1.766 1.00 0.00 C ATOM 0 H VAL A 45 -3.461 -3.037 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.550 -5.631 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.151 -4.710 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.317 -7.020 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.354 -6.952 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.869 -7.457 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.057 -5.330 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.558 -5.695 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.181 -4.029 -1.730 1.00 0.00 H new ATOM 660 N HIS A 46 -5.368 -4.539 -5.676 1.00 0.00 N ATOM 661 CA HIS A 46 -6.256 -4.707 -6.821 1.00 0.00 C ATOM 662 C HIS A 46 -5.456 -4.936 -8.100 1.00 0.00 C ATOM 663 O HIS A 46 -5.950 -5.536 -9.055 1.00 0.00 O ATOM 664 CB HIS A 46 -7.155 -3.480 -6.982 1.00 0.00 C ATOM 665 CG HIS A 46 -8.395 -3.746 -7.777 1.00 0.00 C ATOM 666 ND1 HIS A 46 -8.623 -3.200 -9.022 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.479 -4.507 -7.498 1.00 0.00 C ATOM 668 CE1 HIS A 46 -9.793 -3.612 -9.474 1.00 0.00 C ATOM 669 NE2 HIS A 46 -10.333 -4.407 -8.568 1.00 0.00 N ATOM 0 H HIS A 46 -5.654 -3.809 -5.024 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.879 -5.583 -6.640 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.438 -3.115 -5.995 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.587 -2.685 -7.465 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.987 -2.575 -9.517 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.642 -5.085 -6.601 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.234 -3.344 -10.423 1.00 0.00 H new ATOM 678 N LYS A 47 -4.218 -4.454 -8.112 1.00 0.00 N ATOM 679 CA LYS A 47 -3.348 -4.607 -9.273 1.00 0.00 C ATOM 680 C LYS A 47 -2.861 -6.046 -9.401 1.00 0.00 C ATOM 681 O LYS A 47 -2.860 -6.617 -10.492 1.00 0.00 O ATOM 682 CB LYS A 47 -2.151 -3.659 -9.166 1.00 0.00 C ATOM 683 CG LYS A 47 -1.334 -3.565 -10.443 1.00 0.00 C ATOM 684 CD LYS A 47 -1.880 -2.497 -11.377 1.00 0.00 C ATOM 685 CE LYS A 47 -0.779 -1.890 -12.232 1.00 0.00 C ATOM 686 NZ LYS A 47 -0.289 -2.844 -13.266 1.00 0.00 N ATOM 0 H LYS A 47 -3.794 -3.954 -7.331 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.924 -4.357 -10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.509 -2.664 -8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.505 -3.994 -8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.297 -3.338 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.338 -4.530 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.645 -2.931 -12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.363 -1.713 -10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.152 -0.988 -12.718 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.052 -1.588 -11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.461 -2.392 -13.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.090 -3.694 -12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.076 -3.113 -13.891 1.00 0.00 H new ATOM 700 N HIS A 48 -2.446 -6.628 -8.280 1.00 0.00 N ATOM 701 CA HIS A 48 -1.957 -8.002 -8.268 1.00 0.00 C ATOM 702 C HIS A 48 -3.117 -8.991 -8.195 1.00 0.00 C ATOM 703 O HIS A 48 -3.167 -9.962 -8.951 1.00 0.00 O ATOM 704 CB HIS A 48 -1.012 -8.219 -7.086 1.00 0.00 C ATOM 705 CG HIS A 48 -0.145 -7.035 -6.786 1.00 0.00 C ATOM 706 ND1 HIS A 48 -0.017 -6.294 -5.662 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.722 -6.485 -7.707 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 0.916 -5.320 -5.920 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.347 -5.458 -7.160 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.439 -6.170 -7.369 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.412 -8.176 -9.196 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.600 -8.461 -6.201 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.377 -9.081 -7.293 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.520 -6.433 -4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.867 -6.839 -8.717 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.244 -4.564 -5.222 1.00 0.00 H new ATOM 718 N ARG A 49 -4.047 -8.737 -7.280 1.00 0.00 N ATOM 719 CA ARG A 49 -5.206 -9.606 -7.107 1.00 0.00 C ATOM 720 C ARG A 49 -6.503 -8.812 -7.229 1.00 0.00 C ATOM 721 O ARG A 49 -7.087 -8.375 -6.237 1.00 0.00 O ATOM 722 CB ARG A 49 -5.147 -10.305 -5.747 1.00 0.00 C ATOM 723 CG ARG A 49 -3.918 -11.178 -5.564 1.00 0.00 C ATOM 724 CD ARG A 49 -4.166 -12.598 -6.047 1.00 0.00 C ATOM 725 NE ARG A 49 -4.703 -12.629 -7.405 1.00 0.00 N ATOM 726 CZ ARG A 49 -3.945 -12.599 -8.495 1.00 0.00 C ATOM 727 NH1 ARG A 49 -2.625 -12.540 -8.388 1.00 0.00 N ATOM 728 NH2 ARG A 49 -4.508 -12.630 -9.697 1.00 0.00 N ATOM 0 H ARG A 49 -4.021 -7.937 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.186 -10.359 -7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.167 -9.552 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.040 -10.919 -5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.080 -10.747 -6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.636 -11.195 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.233 -13.160 -6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.862 -13.094 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.715 -12.676 -7.522 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.189 -12.518 -7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.046 -12.517 -9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.523 -12.677 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.925 -12.607 -10.534 1.00 0.00 H new ATOM 742 N PRO A 50 -6.966 -8.621 -8.472 1.00 0.00 N ATOM 743 CA PRO A 50 -8.200 -7.879 -8.753 1.00 0.00 C ATOM 744 C PRO A 50 -9.444 -8.634 -8.301 1.00 0.00 C ATOM 745 O PRO A 50 -10.568 -8.173 -8.503 1.00 0.00 O ATOM 746 CB PRO A 50 -8.187 -7.733 -10.277 1.00 0.00 C ATOM 747 CG PRO A 50 -7.363 -8.877 -10.760 1.00 0.00 C ATOM 748 CD PRO A 50 -6.322 -9.114 -9.702 1.00 0.00 C ATOM 0 HA PRO A 50 -8.235 -6.928 -8.221 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.196 -7.771 -10.687 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.756 -6.779 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.977 -9.765 -10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.899 -8.646 -11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.062 -10.170 -9.624 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.400 -8.574 -9.917 1.00 0.00 H new ATOM 756 N ASP A 51 -9.239 -9.793 -7.686 1.00 0.00 N ATOM 757 CA ASP A 51 -10.345 -10.610 -7.203 1.00 0.00 C ATOM 758 C ASP A 51 -10.653 -10.300 -5.742 1.00 0.00 C ATOM 759 O ASP A 51 -11.815 -10.263 -5.335 1.00 0.00 O ATOM 760 CB ASP A 51 -10.017 -12.096 -7.364 1.00 0.00 C ATOM 761 CG ASP A 51 -11.263 -12.953 -7.490 1.00 0.00 C ATOM 762 OD1 ASP A 51 -12.100 -12.657 -8.368 1.00 0.00 O ATOM 763 OD2 ASP A 51 -11.400 -13.918 -6.708 1.00 0.00 O ATOM 0 H ASP A 51 -8.315 -10.188 -7.510 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.226 -10.373 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.394 -12.234 -8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.434 -12.432 -6.507 1.00 0.00 H new ATOM 768 N LEU A 52 -9.605 -10.077 -4.956 1.00 0.00 N ATOM 769 CA LEU A 52 -9.763 -9.770 -3.539 1.00 0.00 C ATOM 770 C LEU A 52 -10.812 -8.683 -3.331 1.00 0.00 C ATOM 771 O LEU A 52 -11.847 -8.914 -2.705 1.00 0.00 O ATOM 772 CB LEU A 52 -8.426 -9.328 -2.941 1.00 0.00 C ATOM 773 CG LEU A 52 -7.323 -10.384 -2.908 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.135 -9.893 -2.095 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.854 -11.693 -2.340 1.00 0.00 C ATOM 0 H LEU A 52 -8.637 -10.103 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.099 -10.674 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.063 -8.471 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.603 -8.985 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.989 -10.562 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.360 -10.660 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.738 -8.983 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.454 -9.685 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.054 -12.434 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.217 -11.529 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.672 -12.055 -2.963 1.00 0.00 H new ATOM 787 N LEU A 53 -10.538 -7.495 -3.861 1.00 0.00 N ATOM 788 CA LEU A 53 -11.459 -6.371 -3.736 1.00 0.00 C ATOM 789 C LEU A 53 -11.878 -5.854 -5.109 1.00 0.00 C ATOM 790 O LEU A 53 -11.453 -6.381 -6.137 1.00 0.00 O ATOM 791 CB LEU A 53 -10.812 -5.243 -2.930 1.00 0.00 C ATOM 792 CG LEU A 53 -9.549 -4.629 -3.532 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.178 -3.347 -2.801 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.397 -5.623 -3.485 1.00 0.00 C ATOM 0 H LEU A 53 -9.686 -7.286 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.349 -6.720 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.549 -4.451 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.569 -5.625 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.749 -4.384 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.276 -2.924 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.995 -2.630 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.997 -3.567 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.506 -5.168 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.197 -5.899 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.662 -6.514 -4.054 1.00 0.00 H new ATOM 806 N ASP A 54 -12.712 -4.821 -5.117 1.00 0.00 N ATOM 807 CA ASP A 54 -13.185 -4.230 -6.363 1.00 0.00 C ATOM 808 C ASP A 54 -13.052 -2.711 -6.330 1.00 0.00 C ATOM 809 O ASP A 54 -13.978 -2.005 -5.926 1.00 0.00 O ATOM 810 CB ASP A 54 -14.642 -4.622 -6.617 1.00 0.00 C ATOM 811 CG ASP A 54 -14.782 -6.054 -7.096 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.491 -6.975 -6.304 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.183 -6.253 -8.262 1.00 0.00 O ATOM 0 H ASP A 54 -13.075 -4.375 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.567 -4.612 -7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.215 -4.491 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.072 -3.950 -7.360 1.00 0.00 H new ATOM 818 N PHE A 55 -11.897 -2.214 -6.757 1.00 0.00 N ATOM 819 CA PHE A 55 -11.642 -0.778 -6.774 1.00 0.00 C ATOM 820 C PHE A 55 -12.800 -0.028 -7.424 1.00 0.00 C ATOM 821 O PHE A 55 -13.196 1.042 -6.964 1.00 0.00 O ATOM 822 CB PHE A 55 -10.341 -0.479 -7.522 1.00 0.00 C ATOM 823 CG PHE A 55 -9.706 0.822 -7.123 1.00 0.00 C ATOM 824 CD1 PHE A 55 -9.217 1.006 -5.840 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.600 1.864 -8.031 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.632 2.201 -5.469 1.00 0.00 C ATOM 827 CE2 PHE A 55 -9.016 3.062 -7.666 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.532 3.232 -6.384 1.00 0.00 C ATOM 0 H PHE A 55 -11.122 -2.784 -7.096 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.546 -0.439 -5.743 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.634 -1.289 -7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.543 -0.462 -8.593 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.294 0.204 -5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.978 1.738 -9.035 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.253 2.329 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.938 3.865 -8.384 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.076 4.168 -6.097 1.00 0.00 H new ATOM 838 N GLU A 56 -13.338 -0.598 -8.499 1.00 0.00 N ATOM 839 CA GLU A 56 -14.449 0.018 -9.214 1.00 0.00 C ATOM 840 C GLU A 56 -15.637 0.243 -8.284 1.00 0.00 C ATOM 841 O GLU A 56 -16.333 1.253 -8.379 1.00 0.00 O ATOM 842 CB GLU A 56 -14.872 -0.857 -10.396 1.00 0.00 C ATOM 843 CG GLU A 56 -13.771 -1.067 -11.422 1.00 0.00 C ATOM 844 CD GLU A 56 -13.554 0.150 -12.301 1.00 0.00 C ATOM 845 OE1 GLU A 56 -13.881 1.270 -11.857 1.00 0.00 O ATOM 846 OE2 GLU A 56 -13.053 -0.019 -13.434 1.00 0.00 O ATOM 0 H GLU A 56 -13.022 -1.484 -8.893 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.114 0.985 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.197 -1.827 -10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.732 -0.400 -10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.841 -1.310 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.021 -1.923 -12.048 1.00 0.00 H new ATOM 853 N SER A 57 -15.863 -0.708 -7.382 1.00 0.00 N ATOM 854 CA SER A 57 -16.969 -0.617 -6.436 1.00 0.00 C ATOM 855 C SER A 57 -16.662 0.394 -5.336 1.00 0.00 C ATOM 856 O SER A 57 -17.517 1.195 -4.954 1.00 0.00 O ATOM 857 CB SER A 57 -17.255 -1.988 -5.818 1.00 0.00 C ATOM 858 OG SER A 57 -17.944 -2.824 -6.732 1.00 0.00 O ATOM 0 H SER A 57 -15.295 -1.550 -7.287 1.00 0.00 H new ATOM 0 HA SER A 57 -17.852 -0.280 -6.980 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.318 -2.460 -5.523 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.849 -1.866 -4.912 1.00 0.00 H new ATOM 0 HG SER A 57 -18.114 -3.694 -6.315 1.00 0.00 H new ATOM 864 N LEU A 58 -15.434 0.352 -4.829 1.00 0.00 N ATOM 865 CA LEU A 58 -15.011 1.265 -3.772 1.00 0.00 C ATOM 866 C LEU A 58 -15.529 2.675 -4.031 1.00 0.00 C ATOM 867 O LEU A 58 -15.265 3.263 -5.081 1.00 0.00 O ATOM 868 CB LEU A 58 -13.486 1.281 -3.666 1.00 0.00 C ATOM 869 CG LEU A 58 -12.817 -0.069 -3.399 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.304 0.076 -3.398 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.300 -0.652 -2.078 1.00 0.00 C ATOM 0 H LEU A 58 -14.714 -0.304 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.431 0.911 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.082 1.687 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.204 1.968 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.095 -0.755 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.846 -0.894 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.974 0.448 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.006 0.778 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.814 -1.612 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.052 0.032 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.380 -0.794 -2.116 1.00 0.00 H new ATOM 883 N LYS A 59 -16.267 3.216 -3.067 1.00 0.00 N ATOM 884 CA LYS A 59 -16.820 4.560 -3.188 1.00 0.00 C ATOM 885 C LYS A 59 -15.853 5.598 -2.627 1.00 0.00 C ATOM 886 O LYS A 59 -15.089 5.316 -1.704 1.00 0.00 O ATOM 887 CB LYS A 59 -18.162 4.650 -2.458 1.00 0.00 C ATOM 888 CG LYS A 59 -19.347 4.232 -3.311 1.00 0.00 C ATOM 889 CD LYS A 59 -19.723 5.313 -4.311 1.00 0.00 C ATOM 890 CE LYS A 59 -20.818 4.842 -5.255 1.00 0.00 C ATOM 891 NZ LYS A 59 -22.121 4.673 -4.554 1.00 0.00 N ATOM 0 H LYS A 59 -16.496 2.744 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.975 4.768 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -18.125 4.021 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.313 5.674 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -19.107 3.311 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -20.201 4.016 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.059 6.203 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -18.843 5.599 -4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.933 5.562 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.524 3.895 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.852 4.400 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.032 3.931 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.390 5.569 -4.100 1.00 0.00 H new ATOM 905 N LYS A 60 -15.893 6.802 -3.188 1.00 0.00 N ATOM 906 CA LYS A 60 -15.024 7.884 -2.742 1.00 0.00 C ATOM 907 C LYS A 60 -15.714 8.735 -1.682 1.00 0.00 C ATOM 908 O LYS A 60 -15.641 9.964 -1.713 1.00 0.00 O ATOM 909 CB LYS A 60 -14.617 8.761 -3.928 1.00 0.00 C ATOM 910 CG LYS A 60 -13.682 8.068 -4.905 1.00 0.00 C ATOM 911 CD LYS A 60 -13.240 9.005 -6.015 1.00 0.00 C ATOM 912 CE LYS A 60 -14.256 9.050 -7.145 1.00 0.00 C ATOM 913 NZ LYS A 60 -14.120 10.285 -7.966 1.00 0.00 N ATOM 0 H LYS A 60 -16.519 7.053 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.131 7.440 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.514 9.078 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.133 9.663 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.807 7.697 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.183 7.202 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.099 10.008 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.275 8.680 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.129 8.175 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.263 8.999 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.831 10.277 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.266 11.120 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.168 10.322 -8.383 1.00 0.00 H new ATOM 927 N CYS A 61 -16.383 8.074 -0.743 1.00 0.00 N ATOM 928 CA CYS A 61 -17.086 8.771 0.329 1.00 0.00 C ATOM 929 C CYS A 61 -16.776 8.140 1.682 1.00 0.00 C ATOM 930 O CYS A 61 -16.687 8.832 2.696 1.00 0.00 O ATOM 931 CB CYS A 61 -18.594 8.748 0.075 1.00 0.00 C ATOM 932 SG CYS A 61 -19.569 9.579 1.352 1.00 0.00 S ATOM 0 H CYS A 61 -16.453 7.057 -0.702 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.743 9.805 0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.797 9.219 -0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.923 7.712 -0.002 1.00 0.00 H new ATOM 0 HG CYS A 61 -18.866 9.673 2.442 1.00 0.00 H new ATOM 938 N ASN A 62 -16.614 6.820 1.691 1.00 0.00 N ATOM 939 CA ASN A 62 -16.317 6.096 2.922 1.00 0.00 C ATOM 940 C ASN A 62 -14.865 5.625 2.938 1.00 0.00 C ATOM 941 O ASN A 62 -14.547 4.541 2.450 1.00 0.00 O ATOM 942 CB ASN A 62 -17.254 4.896 3.071 1.00 0.00 C ATOM 943 CG ASN A 62 -17.415 4.465 4.515 1.00 0.00 C ATOM 944 OD1 ASN A 62 -16.296 4.270 5.204 1.00 0.00 O flip ATOM 945 ND2 ASN A 62 -18.533 4.307 5.008 1.00 0.00 N flip ATOM 0 H ASN A 62 -16.683 6.231 0.861 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.471 6.776 3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.231 5.148 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.867 4.061 2.486 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.367 4.468 4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.625 4.016 5.981 1.00 0.00 H new ATOM 952 N ALA A 63 -13.988 6.449 3.503 1.00 0.00 N ATOM 953 CA ALA A 63 -12.571 6.117 3.586 1.00 0.00 C ATOM 954 C ALA A 63 -12.329 4.993 4.587 1.00 0.00 C ATOM 955 O ALA A 63 -11.747 3.962 4.250 1.00 0.00 O ATOM 956 CB ALA A 63 -11.762 7.349 3.964 1.00 0.00 C ATOM 0 H ALA A 63 -14.234 7.351 3.910 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.245 5.770 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.706 7.087 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.903 8.122 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.097 7.722 4.932 1.00 0.00 H new ATOM 962 N HIS A 64 -12.776 5.201 5.822 1.00 0.00 N ATOM 963 CA HIS A 64 -12.608 4.204 6.873 1.00 0.00 C ATOM 964 C HIS A 64 -12.757 2.792 6.314 1.00 0.00 C ATOM 965 O HIS A 64 -11.810 2.006 6.325 1.00 0.00 O ATOM 966 CB HIS A 64 -13.627 4.433 7.990 1.00 0.00 C ATOM 967 CG HIS A 64 -13.226 3.828 9.300 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.799 2.522 9.427 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.185 4.358 10.545 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.517 2.275 10.694 1.00 0.00 C ATOM 971 NE2 HIS A 64 -12.742 3.372 11.393 1.00 0.00 N ATOM 0 H HIS A 64 -13.257 6.050 6.119 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.603 4.309 7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.772 5.505 8.124 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.587 4.017 7.686 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.451 5.368 10.820 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.163 1.335 11.091 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.609 3.471 12.399 1.00 0.00 H new ATOM 980 N TYR A 65 -13.952 2.479 5.826 1.00 0.00 N ATOM 981 CA TYR A 65 -14.226 1.161 5.266 1.00 0.00 C ATOM 982 C TYR A 65 -13.153 0.764 4.256 1.00 0.00 C ATOM 983 O TYR A 65 -12.628 -0.348 4.296 1.00 0.00 O ATOM 984 CB TYR A 65 -15.602 1.143 4.596 1.00 0.00 C ATOM 985 CG TYR A 65 -15.782 0.011 3.612 1.00 0.00 C ATOM 986 CD1 TYR A 65 -16.022 -1.286 4.050 1.00 0.00 C ATOM 987 CD2 TYR A 65 -15.713 0.237 2.243 1.00 0.00 C ATOM 988 CE1 TYR A 65 -16.188 -2.323 3.153 1.00 0.00 C ATOM 989 CE2 TYR A 65 -15.879 -0.794 1.339 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.115 -2.073 1.799 1.00 0.00 C ATOM 991 OH TYR A 65 -16.280 -3.103 0.902 1.00 0.00 O ATOM 0 H TYR A 65 -14.746 3.119 5.807 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.217 0.439 6.083 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.370 1.070 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.758 2.090 4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.080 -1.486 5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.526 1.237 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.374 -3.325 3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.824 -0.600 0.278 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.200 -2.757 -0.011 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.833 1.683 3.350 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.822 1.431 2.329 1.00 0.00 C ATOM 1003 C ASN A 66 -10.494 1.032 2.966 1.00 0.00 C ATOM 1004 O ASN A 66 -9.872 0.048 2.563 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.629 2.673 1.456 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.841 2.966 0.593 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.875 2.309 0.710 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.718 3.959 -0.280 1.00 0.00 N ATOM 0 H ASN A 66 -13.259 2.609 3.302 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.168 0.607 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.423 3.533 2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.757 2.533 0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.500 4.204 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.842 4.477 -0.343 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.067 1.800 3.962 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.813 1.527 4.655 1.00 0.00 C ATOM 1017 C LEU A 67 -8.844 0.152 5.315 1.00 0.00 C ATOM 1018 O LEU A 67 -8.145 -0.767 4.891 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.543 2.605 5.705 1.00 0.00 C ATOM 1020 CG LEU A 67 -7.910 3.899 5.192 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.045 5.005 6.227 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.447 3.673 4.837 1.00 0.00 C ATOM 0 H LEU A 67 -10.571 2.617 4.308 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.009 1.537 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.486 2.854 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.891 2.183 6.470 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.438 4.207 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.589 5.918 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.100 5.185 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.542 4.706 7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.013 4.604 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.905 3.341 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.374 2.912 4.060 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.662 0.020 6.355 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.785 -1.243 7.073 1.00 0.00 C ATOM 1036 C GLN A 68 -9.901 -2.412 6.101 1.00 0.00 C ATOM 1037 O GLN A 68 -9.332 -3.479 6.328 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.004 -1.211 7.997 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.316 -1.490 7.285 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.462 -1.739 8.246 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.435 -1.288 9.392 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.478 -2.459 7.784 1.00 0.00 N ATOM 0 H GLN A 68 -10.248 0.771 6.718 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.885 -1.380 7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.867 -1.946 8.790 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.061 -0.233 8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.563 -0.645 6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.196 -2.358 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.459 -2.813 6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.277 -2.658 8.386 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.643 -2.205 5.018 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.834 -3.243 4.011 1.00 0.00 C ATOM 1053 C ASN A 69 -9.495 -3.701 3.442 1.00 0.00 C ATOM 1054 O ASN A 69 -9.254 -4.897 3.281 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.733 -2.730 2.884 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.103 -3.822 1.899 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.995 -4.630 2.158 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.418 -3.851 0.762 1.00 0.00 N ATOM 0 H ASN A 69 -11.122 -1.328 4.815 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.315 -4.096 4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.642 -2.307 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.224 -1.924 2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.623 -4.563 0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.687 -3.161 0.589 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.627 -2.741 3.139 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.312 -3.045 2.590 1.00 0.00 C ATOM 1067 C ALA A 70 -6.419 -3.702 3.636 1.00 0.00 C ATOM 1068 O ALA A 70 -5.733 -4.685 3.353 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.658 -1.780 2.055 1.00 0.00 C ATOM 0 H ALA A 70 -8.812 -1.746 3.265 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.443 -3.749 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.676 -2.022 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.281 -1.353 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.547 -1.058 2.864 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.432 -3.155 4.847 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.621 -3.688 5.936 1.00 0.00 C ATOM 1077 C PHE A 71 -6.013 -5.130 6.250 1.00 0.00 C ATOM 1078 O PHE A 71 -5.154 -5.996 6.407 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.777 -2.821 7.187 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.213 -1.438 7.032 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -3.951 -1.247 6.492 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -5.943 -0.328 7.425 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.429 0.025 6.348 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.426 0.945 7.284 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.169 1.123 6.743 1.00 0.00 C ATOM 0 H PHE A 71 -6.995 -2.343 5.099 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.578 -3.674 5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.835 -2.747 7.438 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.284 -3.314 8.025 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.369 -2.102 6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.928 -0.460 7.847 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.444 0.160 5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.005 1.801 7.597 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.765 2.118 6.629 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.316 -5.376 6.342 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.822 -6.711 6.639 1.00 0.00 C ATOM 1097 C ASN A 72 -7.483 -7.684 5.513 1.00 0.00 C ATOM 1098 O ASN A 72 -6.859 -8.721 5.740 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.336 -6.669 6.853 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.736 -5.719 7.966 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -10.822 -4.986 7.756 1.00 0.00 O flip ATOM 1102 ND2 ASN A 72 -9.076 -5.647 9.003 1.00 0.00 N flip ATOM 0 H ASN A 72 -8.040 -4.669 6.215 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.342 -7.059 7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.823 -6.365 5.927 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.695 -7.671 7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.247 -6.230 9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.358 -5.004 9.743 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.899 -7.342 4.298 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.639 -8.185 3.135 1.00 0.00 C ATOM 1111 C LEU A 73 -6.175 -8.609 3.087 1.00 0.00 C ATOM 1112 O LEU A 73 -5.863 -9.763 2.799 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.011 -7.443 1.851 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.496 -7.441 1.483 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.728 -6.644 0.208 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -10.008 -8.865 1.325 1.00 0.00 C ATOM 0 H LEU A 73 -8.417 -6.488 4.092 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.254 -9.081 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.679 -6.409 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.453 -7.885 1.025 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.051 -6.965 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.790 -6.653 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.399 -5.616 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.162 -7.091 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.066 -8.844 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.449 -9.367 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.877 -9.405 2.263 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.282 -7.666 3.370 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.851 -7.943 3.363 1.00 0.00 C ATOM 1130 C ALA A 74 -3.440 -8.743 4.593 1.00 0.00 C ATOM 1131 O ALA A 74 -2.589 -9.629 4.514 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.063 -6.644 3.287 1.00 0.00 C ATOM 0 H ALA A 74 -5.524 -6.704 3.607 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.627 -8.543 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.996 -6.866 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.327 -6.111 2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.301 -6.023 4.151 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.048 -8.424 5.732 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.744 -9.113 6.980 1.00 0.00 C ATOM 1140 C GLU A 75 -4.312 -10.529 6.972 1.00 0.00 C ATOM 1141 O GLU A 75 -3.985 -11.346 7.834 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.305 -8.333 8.170 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.094 -9.025 9.506 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.190 -10.025 9.823 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.040 -10.272 8.943 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.196 -10.560 10.952 1.00 0.00 O ATOM 0 H GLU A 75 -4.754 -7.693 5.815 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.660 -9.175 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.837 -7.349 8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.372 -8.173 8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.131 -9.536 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.051 -8.276 10.297 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.166 -10.813 5.995 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.780 -12.129 5.873 1.00 0.00 C ATOM 1155 C LYS A 76 -5.215 -12.885 4.675 1.00 0.00 C ATOM 1156 O LYS A 76 -4.577 -13.925 4.832 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.299 -11.995 5.734 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.061 -13.234 6.172 1.00 0.00 C ATOM 1159 CD LYS A 76 -8.172 -14.247 5.045 1.00 0.00 C ATOM 1160 CE LYS A 76 -9.291 -13.888 4.080 1.00 0.00 C ATOM 1161 NZ LYS A 76 -10.603 -13.763 4.774 1.00 0.00 N ATOM 0 H LYS A 76 -5.449 -10.148 5.275 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.552 -12.693 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.636 -11.143 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.543 -11.777 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.557 -13.690 7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.059 -12.950 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.227 -14.297 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.354 -15.238 5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.053 -12.948 3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.361 -14.651 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.339 -14.240 4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.542 -14.204 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.846 -12.757 4.879 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.453 -12.354 3.479 1.00 0.00 N ATOM 1176 CA GLU A 77 -4.965 -12.980 2.256 1.00 0.00 C ATOM 1177 C GLU A 77 -3.441 -13.043 2.247 1.00 0.00 C ATOM 1178 O GLU A 77 -2.852 -14.119 2.367 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.461 -12.209 1.031 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.975 -12.160 0.915 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.569 -13.480 0.463 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -6.980 -14.119 -0.433 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.622 -13.874 1.007 1.00 0.00 O ATOM 0 H GLU A 77 -5.980 -11.493 3.332 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.353 -13.998 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.075 -11.190 1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.051 -12.669 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.401 -11.886 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.256 -11.379 0.209 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.807 -11.885 2.104 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.350 -11.807 2.079 1.00 0.00 C ATOM 1192 C LEU A 78 -0.751 -12.420 3.341 1.00 0.00 C ATOM 1193 O LEU A 78 0.178 -13.224 3.273 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.899 -10.353 1.941 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.593 -9.535 0.851 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.199 -8.070 0.949 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.258 -10.089 -0.526 1.00 0.00 C ATOM 0 H LEU A 78 -3.279 -10.986 2.003 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.995 -12.373 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.055 -9.853 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.174 -10.343 1.747 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.670 -9.610 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.703 -7.504 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.491 -7.679 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.120 -7.975 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.760 -9.495 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.180 -10.046 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.593 -11.124 -0.593 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.290 -12.033 4.494 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.797 -12.555 5.755 1.00 0.00 C ATOM 1211 C GLY A 79 0.180 -11.613 6.431 1.00 0.00 C ATOM 1212 O GLY A 79 1.219 -12.041 6.936 1.00 0.00 O ATOM 0 H GLY A 79 -2.059 -11.368 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.639 -12.740 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.311 -13.515 5.582 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.153 -10.327 6.440 1.00 0.00 N ATOM 1217 CA LEU A 80 0.703 -9.320 7.058 1.00 0.00 C ATOM 1218 C LEU A 80 0.172 -8.920 8.431 1.00 0.00 C ATOM 1219 O LEU A 80 -0.999 -9.142 8.744 1.00 0.00 O ATOM 1220 CB LEU A 80 0.805 -8.086 6.158 1.00 0.00 C ATOM 1221 CG LEU A 80 1.542 -8.281 4.834 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.142 -7.204 3.837 1.00 0.00 C ATOM 1223 CD2 LEU A 80 3.048 -8.272 5.055 1.00 0.00 C ATOM 0 H LEU A 80 -1.009 -9.957 6.027 1.00 0.00 H new ATOM 0 HA LEU A 80 1.695 -9.752 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.204 -7.735 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.305 -7.294 6.716 1.00 0.00 H new ATOM 0 HG LEU A 80 1.261 -9.251 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.677 -7.359 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.069 -7.257 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.394 -6.223 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.557 -8.412 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.346 -7.317 5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.321 -9.080 5.734 1.00 0.00 H new ATOM 1235 N THR A 81 1.038 -8.328 9.247 1.00 0.00 N ATOM 1236 CA THR A 81 0.656 -7.896 10.585 1.00 0.00 C ATOM 1237 C THR A 81 0.240 -6.430 10.591 1.00 0.00 C ATOM 1238 O THR A 81 1.061 -5.539 10.375 1.00 0.00 O ATOM 1239 CB THR A 81 1.806 -8.096 11.590 1.00 0.00 C ATOM 1240 OG1 THR A 81 2.210 -9.470 11.605 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.383 -7.671 12.988 1.00 0.00 C ATOM 0 H THR A 81 2.010 -8.137 9.004 1.00 0.00 H new ATOM 0 HA THR A 81 -0.191 -8.512 10.886 1.00 0.00 H new ATOM 0 HB THR A 81 2.645 -7.475 11.277 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.943 -9.589 12.245 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.211 -7.821 13.680 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.104 -6.617 12.979 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.530 -8.269 13.308 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.042 -6.185 10.842 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.568 -4.825 10.879 1.00 0.00 C ATOM 1251 C LYS A 82 -0.782 -3.964 11.863 1.00 0.00 C ATOM 1252 O LYS A 82 -0.962 -4.070 13.077 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.049 -4.840 11.267 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.988 -4.951 10.079 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.402 -4.527 10.444 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.080 -5.558 11.333 1.00 0.00 C ATOM 1257 NZ LYS A 82 -5.844 -5.285 12.778 1.00 0.00 N ATOM 0 H LYS A 82 -1.736 -6.910 11.023 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.464 -4.394 9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.231 -5.676 11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.281 -3.929 11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.620 -4.329 9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.998 -5.979 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.374 -3.565 10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.987 -4.387 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.152 -5.560 11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.708 -6.552 11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.449 -6.133 13.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.174 -4.495 12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.744 -5.035 13.236 1.00 0.00 H new ATOM 1271 N LEU A 83 0.087 -3.112 11.331 1.00 0.00 N ATOM 1272 CA LEU A 83 0.899 -2.230 12.164 1.00 0.00 C ATOM 1273 C LEU A 83 0.158 -0.932 12.466 1.00 0.00 C ATOM 1274 O LEU A 83 0.342 -0.333 13.527 1.00 0.00 O ATOM 1275 CB LEU A 83 2.227 -1.923 11.468 1.00 0.00 C ATOM 1276 CG LEU A 83 2.926 -3.108 10.802 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.063 -2.627 9.914 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.442 -4.082 11.850 1.00 0.00 C ATOM 0 H LEU A 83 0.248 -3.013 10.329 1.00 0.00 H new ATOM 0 HA LEU A 83 1.098 -2.740 13.107 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.049 -1.160 10.711 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.907 -1.491 12.202 1.00 0.00 H new ATOM 0 HG LEU A 83 2.200 -3.629 10.178 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.549 -3.485 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.667 -1.970 9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.789 -2.081 10.516 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.936 -4.919 11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.153 -3.573 12.501 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.607 -4.453 12.444 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.680 -0.502 11.530 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.452 0.723 11.698 1.00 0.00 C ATOM 1292 C LEU A 84 -2.947 0.425 11.735 1.00 0.00 C ATOM 1293 O LEU A 84 -3.366 -0.719 11.565 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.143 1.702 10.563 1.00 0.00 C ATOM 1295 CG LEU A 84 0.323 2.109 10.406 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.515 2.933 9.143 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.794 2.883 11.628 1.00 0.00 C ATOM 0 H LEU A 84 -0.842 -0.984 10.646 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.168 1.175 12.648 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.478 1.257 9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.735 2.604 10.717 1.00 0.00 H new ATOM 0 HG LEU A 84 0.925 1.205 10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.564 3.214 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.217 2.344 8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.098 3.833 9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.839 3.165 11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.188 3.781 11.746 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.693 2.258 12.516 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.746 1.463 11.958 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.196 1.313 12.014 1.00 0.00 C ATOM 1311 C ASP A 85 -5.878 2.245 11.018 1.00 0.00 C ATOM 1312 O ASP A 85 -5.342 3.288 10.638 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.704 1.598 13.429 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.724 0.356 14.297 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -4.702 -0.360 14.335 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -6.764 0.101 14.941 1.00 0.00 O ATOM 0 H ASP A 85 -3.415 2.417 12.103 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.441 0.285 11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.070 2.353 13.894 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.709 2.016 13.374 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.088 1.864 10.582 1.00 0.00 N ATOM 1322 CA PRO A 86 -7.868 2.652 9.625 1.00 0.00 C ATOM 1323 C PRO A 86 -8.388 3.951 10.229 1.00 0.00 C ATOM 1324 O PRO A 86 -9.057 4.736 9.557 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.034 1.724 9.269 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.175 0.826 10.449 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.787 0.635 10.994 1.00 0.00 C ATOM 0 HA PRO A 86 -7.270 2.958 8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -9.949 2.288 9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.826 1.157 8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.831 1.268 11.199 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.616 -0.129 10.162 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.793 0.520 12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.312 -0.255 10.582 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.074 4.175 11.502 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.510 5.380 12.196 1.00 0.00 C ATOM 1337 C GLU A 87 -7.343 6.342 12.402 1.00 0.00 C ATOM 1338 O GLU A 87 -7.490 7.554 12.247 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.134 5.021 13.546 1.00 0.00 C ATOM 1340 CG GLU A 87 -10.604 4.647 13.458 1.00 0.00 C ATOM 1341 CD GLU A 87 -11.521 5.847 13.600 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -11.176 6.769 14.369 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -12.581 5.864 12.941 1.00 0.00 O ATOM 0 H GLU A 87 -7.519 3.537 12.073 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.260 5.873 11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.582 4.189 13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.023 5.867 14.224 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.795 4.160 12.502 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.838 3.922 14.237 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.186 5.792 12.750 1.00 0.00 N ATOM 1351 CA ASP A 88 -4.993 6.599 12.977 1.00 0.00 C ATOM 1352 C ASP A 88 -4.499 7.217 11.673 1.00 0.00 C ATOM 1353 O ASP A 88 -4.204 8.411 11.611 1.00 0.00 O ATOM 1354 CB ASP A 88 -3.887 5.749 13.605 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.122 5.490 15.079 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -3.751 6.355 15.900 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -4.676 4.421 15.413 1.00 0.00 O ATOM 0 H ASP A 88 -6.048 4.790 12.881 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.255 7.404 13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.821 4.797 13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.929 6.252 13.476 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.410 6.395 10.631 1.00 0.00 N ATOM 1363 CA VAL A 89 -3.951 6.861 9.327 1.00 0.00 C ATOM 1364 C VAL A 89 -4.884 7.926 8.765 1.00 0.00 C ATOM 1365 O VAL A 89 -4.439 8.974 8.299 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.849 5.699 8.321 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.416 6.211 6.956 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.889 4.636 8.830 1.00 0.00 C ATOM 0 H VAL A 89 -4.649 5.404 10.665 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.961 7.292 9.474 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.834 5.245 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.349 5.376 6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.146 6.932 6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.441 6.692 7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.830 3.823 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.900 5.074 8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.248 4.248 9.783 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.185 7.651 8.812 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.182 8.586 8.306 1.00 0.00 C ATOM 1380 C ASN A 90 -7.174 9.881 9.114 1.00 0.00 C ATOM 1381 O ASN A 90 -7.804 9.972 10.167 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.575 7.953 8.352 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.620 8.806 7.661 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.299 9.812 7.026 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.882 8.408 7.780 1.00 0.00 N ATOM 0 H ASN A 90 -6.572 6.788 9.195 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.930 8.822 7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.541 6.971 7.880 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.866 7.797 9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.629 8.942 7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.104 7.569 8.315 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.454 10.879 8.612 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.364 12.170 9.286 1.00 0.00 C ATOM 1394 C VAL A 91 -5.806 13.239 8.354 1.00 0.00 C ATOM 1395 O VAL A 91 -5.233 12.928 7.308 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.478 12.086 10.543 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -4.071 11.641 10.176 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.450 13.424 11.266 1.00 0.00 C ATOM 0 H VAL A 91 -5.925 10.819 7.742 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.377 12.444 9.582 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.905 11.343 11.217 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.460 11.588 11.077 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.111 10.658 9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.632 12.358 9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.819 13.346 12.152 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.049 14.189 10.601 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.462 13.698 11.564 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.974 14.499 8.738 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.485 15.615 7.938 1.00 0.00 C ATOM 1410 C ASP A 92 -4.006 15.439 7.607 1.00 0.00 C ATOM 1411 O ASP A 92 -3.614 15.473 6.441 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.701 16.935 8.679 1.00 0.00 C ATOM 1413 CG ASP A 92 -7.096 17.493 8.474 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.326 18.147 7.435 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.957 17.276 9.351 1.00 0.00 O ATOM 0 H ASP A 92 -6.446 14.773 9.600 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.048 15.635 7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.527 16.783 9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.967 17.665 8.337 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.191 15.253 8.641 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.756 15.075 8.459 1.00 0.00 C ATOM 1422 C GLN A 93 -1.239 13.918 9.309 1.00 0.00 C ATOM 1423 O GLN A 93 -0.742 14.107 10.420 1.00 0.00 O ATOM 1424 CB GLN A 93 -1.011 16.360 8.820 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.674 17.157 9.931 1.00 0.00 C ATOM 1426 CD GLN A 93 -1.217 18.602 9.967 1.00 0.00 C ATOM 1427 OE1 GLN A 93 -0.019 18.886 10.001 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -2.171 19.526 9.957 1.00 0.00 N ATOM 0 H GLN A 93 -3.500 15.222 9.612 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.575 14.841 7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.005 16.108 9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.933 16.987 7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.756 17.125 9.800 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.456 16.687 10.890 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -3.152 19.246 9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.923 20.515 9.978 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.359 12.693 8.778 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.910 11.482 9.472 1.00 0.00 C ATOM 1439 C PRO A 94 0.610 11.399 9.567 1.00 0.00 C ATOM 1440 O PRO A 94 1.322 12.265 9.058 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.453 10.349 8.596 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.585 10.950 7.239 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.941 12.395 7.459 1.00 0.00 C ATOM 0 HA PRO A 94 -1.262 11.449 10.503 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.775 9.496 8.587 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.413 9.989 8.965 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.654 10.858 6.679 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.356 10.442 6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.523 13.035 6.682 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.020 12.549 7.452 1.00 0.00 H new ATOM 1451 N ASP A 95 1.100 10.352 10.222 1.00 0.00 N ATOM 1452 CA ASP A 95 2.537 10.156 10.382 1.00 0.00 C ATOM 1453 C ASP A 95 3.116 9.386 9.200 1.00 0.00 C ATOM 1454 O ASP A 95 3.026 8.159 9.143 1.00 0.00 O ATOM 1455 CB ASP A 95 2.828 9.409 11.686 1.00 0.00 C ATOM 1456 CG ASP A 95 2.754 10.313 12.900 1.00 0.00 C ATOM 1457 OD1 ASP A 95 1.629 10.670 13.305 1.00 0.00 O ATOM 1458 OD2 ASP A 95 3.822 10.664 13.444 1.00 0.00 O ATOM 0 H ASP A 95 0.525 9.627 10.650 1.00 0.00 H new ATOM 0 HA ASP A 95 3.011 11.137 10.420 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.115 8.593 11.801 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.820 8.960 11.631 1.00 0.00 H new ATOM 1463 N GLU A 96 3.707 10.114 8.259 1.00 0.00 N ATOM 1464 CA GLU A 96 4.298 9.498 7.076 1.00 0.00 C ATOM 1465 C GLU A 96 5.292 8.408 7.470 1.00 0.00 C ATOM 1466 O GLU A 96 5.433 7.401 6.776 1.00 0.00 O ATOM 1467 CB GLU A 96 4.997 10.555 6.219 1.00 0.00 C ATOM 1468 CG GLU A 96 6.039 11.361 6.976 1.00 0.00 C ATOM 1469 CD GLU A 96 6.211 12.761 6.418 1.00 0.00 C ATOM 1470 OE1 GLU A 96 5.274 13.575 6.560 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.283 13.043 5.840 1.00 0.00 O ATOM 0 H GLU A 96 3.790 11.130 8.292 1.00 0.00 H new ATOM 0 HA GLU A 96 3.496 9.042 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.475 10.065 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.248 11.235 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.752 11.425 8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.995 10.839 6.938 1.00 0.00 H new ATOM 1478 N LYS A 97 5.979 8.618 8.587 1.00 0.00 N ATOM 1479 CA LYS A 97 6.960 7.655 9.075 1.00 0.00 C ATOM 1480 C LYS A 97 6.276 6.379 9.556 1.00 0.00 C ATOM 1481 O LYS A 97 6.755 5.274 9.302 1.00 0.00 O ATOM 1482 CB LYS A 97 7.782 8.267 10.212 1.00 0.00 C ATOM 1483 CG LYS A 97 8.920 9.150 9.732 1.00 0.00 C ATOM 1484 CD LYS A 97 8.443 10.561 9.432 1.00 0.00 C ATOM 1485 CE LYS A 97 9.272 11.209 8.335 1.00 0.00 C ATOM 1486 NZ LYS A 97 10.477 11.892 8.881 1.00 0.00 N ATOM 0 H LYS A 97 5.875 9.447 9.172 1.00 0.00 H new ATOM 0 HA LYS A 97 7.626 7.400 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.122 8.854 10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.190 7.465 10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.701 9.183 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.365 8.717 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.396 10.536 9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.500 11.165 10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.579 10.450 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.659 11.930 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.016 12.321 8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.183 12.634 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.075 11.199 9.375 1.00 0.00 H new ATOM 1500 N SER A 98 5.155 6.541 10.252 1.00 0.00 N ATOM 1501 CA SER A 98 4.407 5.401 10.771 1.00 0.00 C ATOM 1502 C SER A 98 3.705 4.653 9.641 1.00 0.00 C ATOM 1503 O SER A 98 3.256 3.520 9.818 1.00 0.00 O ATOM 1504 CB SER A 98 3.380 5.866 11.805 1.00 0.00 C ATOM 1505 OG SER A 98 3.146 4.863 12.778 1.00 0.00 O ATOM 0 H SER A 98 4.745 7.449 10.469 1.00 0.00 H new ATOM 0 HA SER A 98 5.112 4.722 11.250 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.735 6.774 12.292 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.445 6.118 11.305 1.00 0.00 H new ATOM 0 HG SER A 98 2.487 5.185 13.428 1.00 0.00 H new ATOM 1511 N ILE A 99 3.613 5.295 8.482 1.00 0.00 N ATOM 1512 CA ILE A 99 2.967 4.690 7.324 1.00 0.00 C ATOM 1513 C ILE A 99 3.988 4.017 6.413 1.00 0.00 C ATOM 1514 O ILE A 99 3.856 2.839 6.080 1.00 0.00 O ATOM 1515 CB ILE A 99 2.181 5.734 6.509 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.083 6.363 7.371 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.583 5.095 5.265 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.284 7.426 6.649 1.00 0.00 C ATOM 0 H ILE A 99 3.977 6.234 8.320 1.00 0.00 H new ATOM 0 HA ILE A 99 2.274 3.940 7.706 1.00 0.00 H new ATOM 0 HB ILE A 99 2.867 6.520 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.406 5.580 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.536 6.801 8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.031 5.846 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.382 4.689 4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.907 4.292 5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.476 7.828 7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.950 8.229 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.198 6.988 5.775 1.00 0.00 H new ATOM 1530 N ILE A 100 5.008 4.771 6.018 1.00 0.00 N ATOM 1531 CA ILE A 100 6.054 4.246 5.149 1.00 0.00 C ATOM 1532 C ILE A 100 6.480 2.847 5.584 1.00 0.00 C ATOM 1533 O ILE A 100 6.891 2.027 4.763 1.00 0.00 O ATOM 1534 CB ILE A 100 7.289 5.165 5.136 1.00 0.00 C ATOM 1535 CG1 ILE A 100 6.964 6.484 4.432 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.460 4.471 4.456 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.774 7.656 4.940 1.00 0.00 C ATOM 0 H ILE A 100 5.132 5.747 6.286 1.00 0.00 H new ATOM 0 HA ILE A 100 5.635 4.200 4.144 1.00 0.00 H new ATOM 0 HB ILE A 100 7.570 5.384 6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.139 6.368 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.904 6.703 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.325 5.134 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.704 3.556 4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.190 4.225 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.491 8.557 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.581 7.798 6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.835 7.458 4.787 1.00 0.00 H new ATOM 1549 N THR A 101 6.376 2.580 6.882 1.00 0.00 N ATOM 1550 CA THR A 101 6.748 1.281 7.427 1.00 0.00 C ATOM 1551 C THR A 101 5.778 0.196 6.975 1.00 0.00 C ATOM 1552 O THR A 101 6.191 -0.897 6.585 1.00 0.00 O ATOM 1553 CB THR A 101 6.788 1.308 8.967 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.591 2.406 9.417 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.349 0.005 9.517 1.00 0.00 C ATOM 0 H THR A 101 6.037 3.247 7.575 1.00 0.00 H new ATOM 0 HA THR A 101 7.745 1.054 7.048 1.00 0.00 H new ATOM 0 HB THR A 101 5.768 1.429 9.333 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.106 3.246 9.276 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.367 0.048 10.606 1.00 0.00 H new ATOM 0 HG22 THR A 101 6.720 -0.826 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.362 -0.142 9.142 1.00 0.00 H new ATOM 1563 N TYR A 102 4.487 0.503 7.028 1.00 0.00 N ATOM 1564 CA TYR A 102 3.458 -0.447 6.625 1.00 0.00 C ATOM 1565 C TYR A 102 3.534 -0.730 5.127 1.00 0.00 C ATOM 1566 O TYR A 102 3.733 -1.870 4.708 1.00 0.00 O ATOM 1567 CB TYR A 102 2.071 0.088 6.985 1.00 0.00 C ATOM 1568 CG TYR A 102 0.981 -0.957 6.908 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.657 -1.565 5.703 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.275 -1.337 8.044 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.339 -2.520 5.629 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.722 -2.291 7.981 1.00 0.00 C ATOM 1573 CZ TYR A 102 -1.026 -2.879 6.770 1.00 0.00 C ATOM 1574 OH TYR A 102 -2.018 -3.830 6.701 1.00 0.00 O ATOM 0 H TYR A 102 4.128 1.403 7.346 1.00 0.00 H new ATOM 0 HA TYR A 102 3.630 -1.380 7.162 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.099 0.498 7.995 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.823 0.910 6.314 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.193 -1.287 4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.510 -0.878 8.993 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.578 -2.983 4.683 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.260 -2.575 8.873 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.235 -4.142 7.604 1.00 0.00 H new ATOM 1584 N VAL A 103 3.375 0.319 4.325 1.00 0.00 N ATOM 1585 CA VAL A 103 3.426 0.186 2.874 1.00 0.00 C ATOM 1586 C VAL A 103 4.669 -0.581 2.436 1.00 0.00 C ATOM 1587 O VAL A 103 4.655 -1.279 1.422 1.00 0.00 O ATOM 1588 CB VAL A 103 3.417 1.563 2.183 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.450 2.484 2.815 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.666 1.411 0.691 1.00 0.00 C ATOM 0 H VAL A 103 3.210 1.270 4.656 1.00 0.00 H new ATOM 0 HA VAL A 103 2.536 -0.368 2.576 1.00 0.00 H new ATOM 0 HB VAL A 103 2.434 2.013 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.429 3.452 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.220 2.617 3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.442 2.043 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.656 2.393 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.636 0.940 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.884 0.790 0.253 1.00 0.00 H new ATOM 1600 N ALA A 104 5.742 -0.448 3.208 1.00 0.00 N ATOM 1601 CA ALA A 104 6.993 -1.132 2.902 1.00 0.00 C ATOM 1602 C ALA A 104 6.766 -2.625 2.695 1.00 0.00 C ATOM 1603 O ALA A 104 7.382 -3.242 1.825 1.00 0.00 O ATOM 1604 CB ALA A 104 8.007 -0.898 4.013 1.00 0.00 C ATOM 0 H ALA A 104 5.771 0.127 4.050 1.00 0.00 H new ATOM 0 HA ALA A 104 7.387 -0.720 1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.936 -1.414 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.200 0.170 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.612 -1.283 4.953 1.00 0.00 H new ATOM 1610 N THR A 105 5.879 -3.202 3.500 1.00 0.00 N ATOM 1611 CA THR A 105 5.572 -4.623 3.405 1.00 0.00 C ATOM 1612 C THR A 105 5.017 -4.976 2.030 1.00 0.00 C ATOM 1613 O THR A 105 5.425 -5.965 1.421 1.00 0.00 O ATOM 1614 CB THR A 105 4.557 -5.052 4.481 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.274 -4.482 4.198 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.017 -4.616 5.864 1.00 0.00 C ATOM 0 H THR A 105 5.361 -2.706 4.225 1.00 0.00 H new ATOM 0 HA THR A 105 6.508 -5.159 3.564 1.00 0.00 H new ATOM 0 HB THR A 105 4.483 -6.139 4.466 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.330 -3.505 4.256 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.284 -4.930 6.607 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.980 -5.074 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.117 -3.531 5.889 1.00 0.00 H new ATOM 1624 N TYR A 106 4.087 -4.161 1.546 1.00 0.00 N ATOM 1625 CA TYR A 106 3.475 -4.389 0.242 1.00 0.00 C ATOM 1626 C TYR A 106 4.539 -4.587 -0.832 1.00 0.00 C ATOM 1627 O TYR A 106 4.367 -5.383 -1.755 1.00 0.00 O ATOM 1628 CB TYR A 106 2.569 -3.215 -0.132 1.00 0.00 C ATOM 1629 CG TYR A 106 1.208 -3.267 0.524 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.029 -3.897 1.749 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.100 -2.689 -0.083 1.00 0.00 C ATOM 1632 CE1 TYR A 106 -0.213 -3.948 2.352 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.146 -2.735 0.513 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.297 -3.365 1.731 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.537 -3.414 2.327 1.00 0.00 O ATOM 0 H TYR A 106 3.740 -3.337 2.037 1.00 0.00 H new ATOM 0 HA TYR A 106 2.875 -5.297 0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.062 -2.284 0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.441 -3.196 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.876 -4.355 2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.214 -2.195 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.334 -4.442 3.305 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.997 -2.280 0.028 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.191 -2.955 1.759 1.00 0.00 H new ATOM 1645 N TYR A 107 5.642 -3.856 -0.706 1.00 0.00 N ATOM 1646 CA TYR A 107 6.735 -3.949 -1.665 1.00 0.00 C ATOM 1647 C TYR A 107 7.583 -5.191 -1.409 1.00 0.00 C ATOM 1648 O TYR A 107 7.721 -6.053 -2.277 1.00 0.00 O ATOM 1649 CB TYR A 107 7.611 -2.697 -1.595 1.00 0.00 C ATOM 1650 CG TYR A 107 8.981 -2.881 -2.207 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.157 -2.864 -3.584 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.101 -3.072 -1.405 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.408 -3.033 -4.147 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.355 -3.240 -1.958 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.504 -3.220 -3.330 1.00 0.00 C ATOM 1656 OH TYR A 107 12.751 -3.388 -3.887 1.00 0.00 O ATOM 0 H TYR A 107 5.802 -3.192 0.052 1.00 0.00 H new ATOM 0 HA TYR A 107 6.302 -4.027 -2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.102 -1.879 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.725 -2.402 -0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.302 -2.716 -4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.988 -3.089 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.527 -3.019 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.214 -3.386 -1.321 1.00 0.00 H new ATOM 0 HH TYR A 107 13.414 -3.507 -3.175 1.00 0.00 H new ATOM 1666 N HIS A 108 8.148 -5.276 -0.208 1.00 0.00 N ATOM 1667 CA HIS A 108 8.981 -6.413 0.165 1.00 0.00 C ATOM 1668 C HIS A 108 8.243 -7.728 -0.067 1.00 0.00 C ATOM 1669 O HIS A 108 8.700 -8.581 -0.829 1.00 0.00 O ATOM 1670 CB HIS A 108 9.401 -6.304 1.632 1.00 0.00 C ATOM 1671 CG HIS A 108 10.451 -5.264 1.879 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.699 -5.302 1.293 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.432 -4.153 2.651 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.403 -4.258 1.697 1.00 0.00 C ATOM 1675 NE2 HIS A 108 11.657 -3.546 2.521 1.00 0.00 N ATOM 0 H HIS A 108 8.044 -4.572 0.522 1.00 0.00 H new ATOM 0 HA HIS A 108 9.871 -6.401 -0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.524 -6.073 2.236 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.774 -7.272 1.968 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.607 -3.808 3.257 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.416 -4.027 1.403 1.00 0.00 H new ATOM 0 HE2 HIS A 108 11.944 -2.685 2.986 1.00 0.00 H new ATOM 1684 N TYR A 109 7.101 -7.884 0.592 1.00 0.00 N ATOM 1685 CA TYR A 109 6.301 -9.096 0.459 1.00 0.00 C ATOM 1686 C TYR A 109 6.258 -9.564 -0.993 1.00 0.00 C ATOM 1687 O TYR A 109 6.885 -10.559 -1.356 1.00 0.00 O ATOM 1688 CB TYR A 109 4.881 -8.855 0.971 1.00 0.00 C ATOM 1689 CG TYR A 109 3.911 -9.956 0.611 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.739 -11.058 1.440 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.165 -9.897 -0.560 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.855 -12.068 1.114 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.277 -10.901 -0.893 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.126 -11.985 -0.053 1.00 0.00 C ATOM 1695 OH TYR A 109 1.243 -12.988 -0.381 1.00 0.00 O ATOM 0 H TYR A 109 6.708 -7.186 1.224 1.00 0.00 H new ATOM 0 HA TYR A 109 6.768 -9.876 1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 109 4.909 -8.747 2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.513 -7.912 0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.307 -11.126 2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.282 -9.051 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.736 -12.918 1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.704 -10.838 -1.806 1.00 0.00 H new ATOM 0 HH TYR A 109 0.809 -12.776 -1.234 1.00 0.00 H new ATOM 1705 N PHE A 110 5.514 -8.836 -1.819 1.00 0.00 N ATOM 1706 CA PHE A 110 5.387 -9.174 -3.232 1.00 0.00 C ATOM 1707 C PHE A 110 6.757 -9.415 -3.859 1.00 0.00 C ATOM 1708 O PHE A 110 6.929 -10.325 -4.670 1.00 0.00 O ATOM 1709 CB PHE A 110 4.660 -8.057 -3.983 1.00 0.00 C ATOM 1710 CG PHE A 110 3.169 -8.234 -4.023 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.596 -9.230 -4.797 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.339 -7.403 -3.286 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.225 -9.395 -4.836 1.00 0.00 C ATOM 1714 CE2 PHE A 110 0.966 -7.563 -3.322 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.408 -8.560 -4.097 1.00 0.00 C ATOM 0 H PHE A 110 4.990 -8.008 -1.534 1.00 0.00 H new ATOM 0 HA PHE A 110 4.805 -10.092 -3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.892 -7.102 -3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.040 -8.009 -5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.229 -9.885 -5.377 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.770 -6.622 -2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.792 -10.176 -5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.330 -6.908 -2.744 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.664 -8.687 -4.126 1.00 0.00 H new ATOM 1725 N SER A 111 7.729 -8.591 -3.478 1.00 0.00 N ATOM 1726 CA SER A 111 9.083 -8.711 -4.006 1.00 0.00 C ATOM 1727 C SER A 111 9.647 -10.104 -3.743 1.00 0.00 C ATOM 1728 O SER A 111 10.274 -10.708 -4.613 1.00 0.00 O ATOM 1729 CB SER A 111 9.992 -7.653 -3.378 1.00 0.00 C ATOM 1730 OG SER A 111 11.229 -7.572 -4.065 1.00 0.00 O ATOM 0 H SER A 111 7.604 -7.834 -2.806 1.00 0.00 H new ATOM 0 HA SER A 111 9.043 -8.552 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.496 -6.683 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.169 -7.896 -2.330 1.00 0.00 H new ATOM 0 HG SER A 111 11.792 -6.888 -3.646 1.00 0.00 H new ATOM 1736 N LYS A 112 9.419 -10.609 -2.535 1.00 0.00 N ATOM 1737 CA LYS A 112 9.903 -11.930 -2.155 1.00 0.00 C ATOM 1738 C LYS A 112 9.650 -12.943 -3.267 1.00 0.00 C ATOM 1739 O LYS A 112 10.567 -13.636 -3.709 1.00 0.00 O ATOM 1740 CB LYS A 112 9.222 -12.394 -0.865 1.00 0.00 C ATOM 1741 CG LYS A 112 9.530 -11.516 0.335 1.00 0.00 C ATOM 1742 CD LYS A 112 9.072 -12.161 1.632 1.00 0.00 C ATOM 1743 CE LYS A 112 9.250 -11.222 2.816 1.00 0.00 C ATOM 1744 NZ LYS A 112 10.638 -11.265 3.354 1.00 0.00 N ATOM 0 H LYS A 112 8.902 -10.123 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 112 10.978 -11.861 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.143 -12.416 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.534 -13.415 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.602 -11.325 0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.039 -10.550 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.023 -12.446 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.638 -13.076 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.010 -10.203 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.547 -11.493 3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.719 -10.612 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.859 -12.231 3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.308 -10.982 2.610 1.00 0.00 H new ATOM 1758 N MET A 113 8.402 -13.023 -3.716 1.00 0.00 N ATOM 1759 CA MET A 113 8.030 -13.950 -4.778 1.00 0.00 C ATOM 1760 C MET A 113 8.984 -13.831 -5.962 1.00 0.00 C ATOM 1761 O MET A 113 9.851 -12.955 -5.989 1.00 0.00 O ATOM 1762 CB MET A 113 6.595 -13.684 -5.237 1.00 0.00 C ATOM 1763 CG MET A 113 5.581 -13.704 -4.105 1.00 0.00 C ATOM 1764 SD MET A 113 3.887 -13.487 -4.685 1.00 0.00 S ATOM 1765 CE MET A 113 2.969 -14.195 -3.319 1.00 0.00 C ATOM 0 H MET A 113 7.631 -12.457 -3.361 1.00 0.00 H new ATOM 0 HA MET A 113 8.095 -14.963 -4.381 1.00 0.00 H new ATOM 0 HB2 MET A 113 6.555 -12.714 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 113 6.315 -14.433 -5.978 1.00 0.00 H new ATOM 0 HG2 MET A 113 5.659 -14.650 -3.569 1.00 0.00 H new ATOM 0 HG3 MET A 113 5.821 -12.914 -3.393 1.00 0.00 H new ATOM 0 HE1 MET A 113 1.901 -14.135 -3.528 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.255 -15.239 -3.190 1.00 0.00 H new ATOM 0 HE3 MET A 113 3.191 -13.643 -2.406 1.00 0.00 H new ATOM 1775 N LYS A 114 8.822 -14.716 -6.940 1.00 0.00 N ATOM 1776 CA LYS A 114 9.668 -14.710 -8.127 1.00 0.00 C ATOM 1777 C LYS A 114 10.037 -13.285 -8.525 1.00 0.00 C ATOM 1778 O LYS A 114 9.253 -12.588 -9.170 1.00 0.00 O ATOM 1779 CB LYS A 114 8.957 -15.408 -9.288 1.00 0.00 C ATOM 1780 CG LYS A 114 8.916 -16.920 -9.156 1.00 0.00 C ATOM 1781 CD LYS A 114 8.086 -17.555 -10.260 1.00 0.00 C ATOM 1782 CE LYS A 114 6.612 -17.606 -9.891 1.00 0.00 C ATOM 1783 NZ LYS A 114 6.372 -18.444 -8.684 1.00 0.00 N ATOM 0 H LYS A 114 8.111 -15.448 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 114 10.585 -15.251 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.937 -15.030 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.458 -15.147 -10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.931 -17.316 -9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.500 -17.190 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 114 8.212 -16.988 -11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.449 -18.564 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.248 -16.595 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.041 -18.005 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.397 -18.805 -8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.037 -19.244 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.515 -17.870 -7.829 1.00 0.00 H new ATOM 1797 N ALA A 115 11.234 -12.857 -8.138 1.00 0.00 N ATOM 1798 CA ALA A 115 11.707 -11.516 -8.458 1.00 0.00 C ATOM 1799 C ALA A 115 13.165 -11.336 -8.047 1.00 0.00 C ATOM 1800 O ALA A 115 13.504 -11.433 -6.867 1.00 0.00 O ATOM 1801 CB ALA A 115 10.832 -10.472 -7.780 1.00 0.00 C ATOM 0 H ALA A 115 11.894 -13.420 -7.602 1.00 0.00 H new ATOM 0 HA ALA A 115 11.642 -11.382 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.197 -9.475 -8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.804 -10.579 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.868 -10.613 -6.700 1.00 0.00 H new ATOM 1807 N LEU A 116 14.022 -11.073 -9.027 1.00 0.00 N ATOM 1808 CA LEU A 116 15.445 -10.879 -8.767 1.00 0.00 C ATOM 1809 C LEU A 116 15.688 -9.575 -8.015 1.00 0.00 C ATOM 1810 O LEU A 116 14.926 -8.618 -8.151 1.00 0.00 O ATOM 1811 CB LEU A 116 16.227 -10.878 -10.082 1.00 0.00 C ATOM 1812 CG LEU A 116 15.686 -9.969 -11.185 1.00 0.00 C ATOM 1813 CD1 LEU A 116 15.670 -8.521 -10.723 1.00 0.00 C ATOM 1814 CD2 LEU A 116 16.513 -10.119 -12.453 1.00 0.00 C ATOM 0 H LEU A 116 13.757 -10.989 -10.008 1.00 0.00 H new ATOM 0 HA LEU A 116 15.793 -11.704 -8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.255 -10.585 -9.870 1.00 0.00 H new ATOM 0 HB3 LEU A 116 16.259 -11.899 -10.463 1.00 0.00 H new ATOM 0 HG LEU A 116 14.662 -10.268 -11.407 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.282 -7.889 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.033 -8.427 -9.843 1.00 0.00 H new ATOM 0 HD13 LEU A 116 16.684 -8.208 -10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.113 -9.464 -13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.548 -9.847 -12.247 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.471 -11.153 -12.795 1.00 0.00 H new ATOM 1826 N ALA A 117 16.756 -9.544 -7.226 1.00 0.00 N ATOM 1827 CA ALA A 117 17.103 -8.355 -6.457 1.00 0.00 C ATOM 1828 C ALA A 117 18.475 -8.503 -5.805 1.00 0.00 C ATOM 1829 O ALA A 117 19.129 -9.537 -5.941 1.00 0.00 O ATOM 1830 CB ALA A 117 16.043 -8.082 -5.400 1.00 0.00 C ATOM 0 H ALA A 117 17.396 -10.328 -7.102 1.00 0.00 H new ATOM 0 HA ALA A 117 17.144 -7.509 -7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 117 16.315 -7.191 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 117 15.079 -7.924 -5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 117 15.974 -8.935 -4.725 1.00 0.00 H new ATOM 1836 N VAL A 118 18.904 -7.463 -5.097 1.00 0.00 N ATOM 1837 CA VAL A 118 20.197 -7.478 -4.425 1.00 0.00 C ATOM 1838 C VAL A 118 20.248 -8.565 -3.356 1.00 0.00 C ATOM 1839 O VAL A 118 19.911 -8.325 -2.198 1.00 0.00 O ATOM 1840 CB VAL A 118 20.505 -6.118 -3.771 1.00 0.00 C ATOM 1841 CG1 VAL A 118 20.829 -5.077 -4.833 1.00 0.00 C ATOM 1842 CG2 VAL A 118 19.339 -5.664 -2.908 1.00 0.00 C ATOM 0 H VAL A 118 18.375 -6.600 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 118 20.948 -7.685 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 118 21.378 -6.233 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.044 -4.122 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 118 21.699 -5.400 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 118 19.976 -4.963 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.575 -4.701 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 118 18.446 -5.565 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 118 19.158 -6.400 -2.124 1.00 0.00 H new ATOM 1852 N GLU A 119 20.673 -9.759 -3.756 1.00 0.00 N ATOM 1853 CA GLU A 119 20.767 -10.884 -2.831 1.00 0.00 C ATOM 1854 C GLU A 119 21.172 -10.410 -1.439 1.00 0.00 C ATOM 1855 O GLU A 119 21.886 -9.419 -1.291 1.00 0.00 O ATOM 1856 CB GLU A 119 21.778 -11.912 -3.346 1.00 0.00 C ATOM 1857 CG GLU A 119 21.202 -12.865 -4.380 1.00 0.00 C ATOM 1858 CD GLU A 119 20.365 -13.965 -3.757 1.00 0.00 C ATOM 1859 OE1 GLU A 119 19.963 -13.814 -2.585 1.00 0.00 O ATOM 1860 OE2 GLU A 119 20.111 -14.977 -4.444 1.00 0.00 O ATOM 0 H GLU A 119 20.957 -9.973 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 119 19.785 -11.352 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 119 22.628 -11.387 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.158 -12.490 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 119 20.590 -12.303 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.016 -13.312 -4.950 1.00 0.00 H new ATOM 1867 N GLY A 120 20.708 -11.126 -0.419 1.00 0.00 N ATOM 1868 CA GLY A 120 21.032 -10.764 0.950 1.00 0.00 C ATOM 1869 C GLY A 120 20.715 -11.873 1.933 1.00 0.00 C ATOM 1870 O GLY A 120 20.835 -13.055 1.608 1.00 0.00 O ATOM 0 H GLY A 120 20.114 -11.950 -0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.091 -10.516 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.477 -9.868 1.227 1.00 0.00 H new ATOM 1874 N LYS A 121 20.309 -11.494 3.140 1.00 0.00 N ATOM 1875 CA LYS A 121 19.975 -12.465 4.176 1.00 0.00 C ATOM 1876 C LYS A 121 19.247 -11.793 5.336 1.00 0.00 C ATOM 1877 O LYS A 121 19.425 -10.600 5.587 1.00 0.00 O ATOM 1878 CB LYS A 121 21.242 -13.154 4.687 1.00 0.00 C ATOM 1879 CG LYS A 121 20.983 -14.509 5.321 1.00 0.00 C ATOM 1880 CD LYS A 121 22.264 -15.127 5.858 1.00 0.00 C ATOM 1881 CE LYS A 121 22.706 -14.460 7.151 1.00 0.00 C ATOM 1882 NZ LYS A 121 23.519 -15.375 7.999 1.00 0.00 N ATOM 0 H LYS A 121 20.203 -10.520 3.425 1.00 0.00 H new ATOM 0 HA LYS A 121 19.314 -13.213 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 121 21.938 -13.277 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 121 21.728 -12.507 5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 121 20.262 -14.401 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 121 20.536 -15.177 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 121 22.110 -16.192 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 121 23.054 -15.036 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 121 23.288 -13.568 6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 121 21.829 -14.132 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 23.800 -14.882 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 22.956 -16.215 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 24.370 -15.668 7.477 1.00 0.00 H new ATOM 1896 N SER A 122 18.427 -12.566 6.040 1.00 0.00 N ATOM 1897 CA SER A 122 17.669 -12.045 7.172 1.00 0.00 C ATOM 1898 C SER A 122 16.914 -13.163 7.882 1.00 0.00 C ATOM 1899 O SER A 122 16.162 -13.912 7.260 1.00 0.00 O ATOM 1900 CB SER A 122 16.688 -10.968 6.704 1.00 0.00 C ATOM 1901 OG SER A 122 15.705 -11.514 5.842 1.00 0.00 O ATOM 0 H SER A 122 18.270 -13.555 5.847 1.00 0.00 H new ATOM 0 HA SER A 122 18.374 -11.603 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 122 16.205 -10.511 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 122 17.231 -10.177 6.187 1.00 0.00 H new ATOM 0 HG SER A 122 15.560 -12.457 6.067 1.00 0.00 H new ATOM 1907 N GLY A 123 17.121 -13.272 9.192 1.00 0.00 N ATOM 1908 CA GLY A 123 16.453 -14.302 9.965 1.00 0.00 C ATOM 1909 C GLY A 123 15.868 -13.768 11.257 1.00 0.00 C ATOM 1910 O GLY A 123 16.352 -14.058 12.351 1.00 0.00 O ATOM 0 H GLY A 123 17.739 -12.665 9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.658 -14.744 9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 123 17.161 -15.099 10.192 1.00 0.00 H new ATOM 1914 N PRO A 124 14.799 -12.966 11.139 1.00 0.00 N ATOM 1915 CA PRO A 124 14.123 -12.372 12.297 1.00 0.00 C ATOM 1916 C PRO A 124 13.375 -13.409 13.127 1.00 0.00 C ATOM 1917 O PRO A 124 13.444 -14.606 12.850 1.00 0.00 O ATOM 1918 CB PRO A 124 13.140 -11.383 11.665 1.00 0.00 C ATOM 1919 CG PRO A 124 12.885 -11.922 10.300 1.00 0.00 C ATOM 1920 CD PRO A 124 14.168 -12.577 9.867 1.00 0.00 C ATOM 0 HA PRO A 124 14.829 -11.911 12.988 1.00 0.00 H new ATOM 0 HB2 PRO A 124 12.218 -11.317 12.243 1.00 0.00 H new ATOM 0 HB3 PRO A 124 13.562 -10.379 11.622 1.00 0.00 H new ATOM 0 HG2 PRO A 124 12.065 -12.640 10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 124 12.602 -11.125 9.612 1.00 0.00 H new ATOM 0 HD2 PRO A 124 13.983 -13.442 9.230 1.00 0.00 H new ATOM 0 HD3 PRO A 124 14.797 -11.892 9.299 1.00 0.00 H new ATOM 1928 N SER A 125 12.660 -12.942 14.145 1.00 0.00 N ATOM 1929 CA SER A 125 11.901 -13.831 15.017 1.00 0.00 C ATOM 1930 C SER A 125 10.784 -13.072 15.728 1.00 0.00 C ATOM 1931 O SER A 125 10.668 -11.852 15.599 1.00 0.00 O ATOM 1932 CB SER A 125 12.826 -14.480 16.049 1.00 0.00 C ATOM 1933 OG SER A 125 13.398 -13.507 16.905 1.00 0.00 O ATOM 0 H SER A 125 12.590 -11.953 14.386 1.00 0.00 H new ATOM 0 HA SER A 125 11.453 -14.609 14.399 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.265 -15.204 16.640 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.617 -15.029 15.538 1.00 0.00 H new ATOM 0 HG SER A 125 13.983 -13.948 17.556 1.00 0.00 H new ATOM 1939 N SER A 126 9.964 -13.801 16.476 1.00 0.00 N ATOM 1940 CA SER A 126 8.854 -13.199 17.204 1.00 0.00 C ATOM 1941 C SER A 126 8.205 -14.213 18.142 1.00 0.00 C ATOM 1942 O SER A 126 8.126 -15.400 17.831 1.00 0.00 O ATOM 1943 CB SER A 126 7.812 -12.652 16.226 1.00 0.00 C ATOM 1944 OG SER A 126 7.388 -13.655 15.319 1.00 0.00 O ATOM 0 H SER A 126 10.047 -14.811 16.594 1.00 0.00 H new ATOM 0 HA SER A 126 9.247 -12.377 17.802 1.00 0.00 H new ATOM 0 HB2 SER A 126 6.954 -12.271 16.780 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.233 -11.812 15.673 1.00 0.00 H new ATOM 0 HG SER A 126 6.721 -13.281 14.706 1.00 0.00 H new ATOM 1950 N GLY A 127 7.740 -13.733 19.292 1.00 0.00 N ATOM 1951 CA GLY A 127 7.104 -14.610 20.258 1.00 0.00 C ATOM 1952 C GLY A 127 7.213 -14.086 21.676 1.00 0.00 C ATOM 1953 O GLY A 127 7.276 -12.875 21.895 1.00 0.00 O ATOM 0 H GLY A 127 7.792 -12.753 19.571 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.052 -14.730 19.998 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.561 -15.598 20.203 1.00 0.00 H new TER 1957 GLY A 127