USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 914 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 106 TYR OH : rot 94:sc= 2.1 USER MOD Set 1.2: A 114 ASN : amide:sc= -1.07 K(o=1,f=-2.5!) USER MOD Set 2.1: A 28 GLN : amide:sc= 0.13 K(o=-1,f=-13!) USER MOD Set 2.2: A 113 LYS NZ :NH3+ 164:sc= -1.17! (180deg=-2.84!) USER MOD Set 3.1: A 91 ASN : amide:sc= -3.12 K(o=-6.1,f=-9.5) USER MOD Set 3.2: A 95 HIS : no HD1:sc= -3.01 K(o=-6.1,f=-7.3) USER MOD Set 4.1: A 68 CYS SG : rot 180:sc= -0.297 USER MOD Set 4.2: A 76 TYR OH : rot -73:sc= -0.198 USER MOD Set 5.1: A 1 THR OG1 : rot 180:sc= 0.18 USER MOD Set 5.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 49 SER OG : rot -93:sc= 0.976 USER MOD Set 6.2: A 64 HIS : no HE2:sc= -5.62! C(o=-4.6!,f=-14!) USER MOD Set 7.1: A 21 GLN : amide:sc= -0.151 K(o=-2.1,f=-3.5!) USER MOD Set 7.2: A 24 GLN :FLIP amide:sc= -1.97! C(o=-3.5!,f=-2.1!) USER MOD Set 8.1: A 13 TYR OH : rot 165:sc= -1.06 USER MOD Set 8.2: A 15 LYS NZ :NH3+ -124:sc= -0.117 (180deg=-0.65!) USER MOD Set 9.1: A 14 SER OG : rot -150:sc= -0.34 USER MOD Set 9.2: A 17 MET CE :methyl -129:sc= -1.53 (180deg=-7.28!) USER MOD Single : A 1 THR N :NH3+ 147:sc= 0.369 (180deg=0.0479) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -170:sc= -1.93 (180deg=-2.44!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=-0.47) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= -1.11 (180deg=-1.14) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 110:sc= -0.179 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.575 USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= 0.921 (180deg=-0.473) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 60:sc= 0.991 USER MOD Single : A 59 GLN : amide:sc= -0.0445 K(o=-0.044,f=-1.2) USER MOD Single : A 65 TYR OH : rot 180:sc= 0.202 USER MOD Single : A 69 SER OG : rot -113:sc= 1.42 USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.44! USER MOD Single : A 72 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.21) USER MOD Single : A 74 GLN :FLIP amide:sc= -5.44! C(o=-9.3!,f=-5.4!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -1.35 F(o=-2.3,f=-1.3) USER MOD Single : A 84 SER OG : rot -8:sc= 0.877 USER MOD Single : A 85 THR OG1 : rot -57:sc= -0.194! USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.031) USER MOD Single : A 94 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.46) USER MOD Single : A 96 ASN : amide:sc= -0.708 K(o=-0.71,f=-4.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 96:sc= 0.314 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -97:sc= -1.07! USER MOD Single : A 110 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.02) USER MOD Single : A 111 GLN : amide:sc= 0.433 K(o=0.43,f=-5.9!) USER MOD Single : A 112 ASN : amide:sc= -0.0196 K(o=-0.02,f=-1.1) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 22.748 -5.133 -7.671 1.00 0.00 N ATOM 2 CA THR A 1 21.343 -4.780 -7.319 1.00 0.00 C ATOM 3 C THR A 1 20.404 -5.134 -8.476 1.00 0.00 C ATOM 4 O THR A 1 20.782 -5.087 -9.630 1.00 0.00 O ATOM 5 CB THR A 1 21.359 -3.269 -7.087 1.00 0.00 C ATOM 6 OG1 THR A 1 22.528 -2.914 -6.360 1.00 0.00 O ATOM 7 CG2 THR A 1 20.117 -2.862 -6.292 1.00 0.00 C ATOM 0 H1 THR A 1 23.398 -4.454 -7.226 1.00 0.00 H new ATOM 0 H2 THR A 1 22.961 -6.092 -7.329 1.00 0.00 H new ATOM 0 H3 THR A 1 22.866 -5.100 -8.704 1.00 0.00 H new ATOM 0 HA THR A 1 20.988 -5.323 -6.443 1.00 0.00 H new ATOM 0 HB THR A 1 21.359 -2.753 -8.047 1.00 0.00 H new ATOM 0 HG1 THR A 1 22.540 -1.945 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 1 20.128 -1.785 -6.126 1.00 0.00 H new ATOM 0 HG22 THR A 1 19.222 -3.134 -6.851 1.00 0.00 H new ATOM 0 HG23 THR A 1 20.115 -3.377 -5.331 1.00 0.00 H new ATOM 15 N GLU A 2 19.184 -5.489 -8.174 1.00 0.00 N ATOM 16 CA GLU A 2 18.219 -5.846 -9.255 1.00 0.00 C ATOM 17 C GLU A 2 17.607 -4.577 -9.854 1.00 0.00 C ATOM 18 O GLU A 2 17.735 -4.310 -11.033 1.00 0.00 O ATOM 19 CB GLU A 2 17.143 -6.690 -8.566 1.00 0.00 C ATOM 20 CG GLU A 2 16.878 -7.954 -9.388 1.00 0.00 C ATOM 21 CD GLU A 2 16.564 -9.119 -8.448 1.00 0.00 C ATOM 22 OE1 GLU A 2 17.156 -9.172 -7.384 1.00 0.00 O ATOM 23 OE2 GLU A 2 15.736 -9.939 -8.811 1.00 0.00 O ATOM 0 H GLU A 2 18.813 -5.547 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 2 18.695 -6.386 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.466 -6.959 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.225 -6.112 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.044 -7.789 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.748 -8.191 -10.000 1.00 0.00 H new ATOM 30 N ALA A 3 16.936 -3.792 -9.049 1.00 0.00 N ATOM 31 CA ALA A 3 16.305 -2.539 -9.562 1.00 0.00 C ATOM 32 C ALA A 3 15.259 -2.881 -10.610 1.00 0.00 C ATOM 33 O ALA A 3 15.543 -3.007 -11.785 1.00 0.00 O ATOM 34 CB ALA A 3 17.442 -1.715 -10.172 1.00 0.00 C ATOM 0 H ALA A 3 16.798 -3.967 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 3 15.800 -1.982 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 3 17.043 -0.781 -10.567 1.00 0.00 H new ATOM 0 HB2 ALA A 3 18.185 -1.497 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.909 -2.280 -10.979 1.00 0.00 H new ATOM 40 N GLU A 4 14.048 -3.033 -10.171 1.00 0.00 N ATOM 41 CA GLU A 4 12.931 -3.370 -11.094 1.00 0.00 C ATOM 42 C GLU A 4 12.957 -2.480 -12.346 1.00 0.00 C ATOM 43 O GLU A 4 12.622 -2.916 -13.430 1.00 0.00 O ATOM 44 CB GLU A 4 11.665 -3.112 -10.271 1.00 0.00 C ATOM 45 CG GLU A 4 11.760 -1.752 -9.558 1.00 0.00 C ATOM 46 CD GLU A 4 10.676 -0.814 -10.093 1.00 0.00 C ATOM 47 OE1 GLU A 4 9.564 -1.275 -10.288 1.00 0.00 O ATOM 48 OE2 GLU A 4 10.977 0.351 -10.298 1.00 0.00 O ATOM 0 H GLU A 4 13.777 -2.937 -9.192 1.00 0.00 H new ATOM 0 HA GLU A 4 12.993 -4.397 -11.455 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.790 -3.129 -10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.532 -3.907 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.641 -1.885 -8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.745 -1.314 -9.718 1.00 0.00 H new ATOM 55 N ASP A 5 13.356 -1.242 -12.204 1.00 0.00 N ATOM 56 CA ASP A 5 13.408 -0.324 -13.386 1.00 0.00 C ATOM 57 C ASP A 5 12.084 -0.361 -14.159 1.00 0.00 C ATOM 58 O ASP A 5 12.062 -0.519 -15.364 1.00 0.00 O ATOM 59 CB ASP A 5 14.554 -0.853 -14.249 1.00 0.00 C ATOM 60 CG ASP A 5 15.676 0.186 -14.310 1.00 0.00 C ATOM 61 OD1 ASP A 5 15.555 1.114 -15.092 1.00 0.00 O ATOM 62 OD2 ASP A 5 16.635 0.036 -13.571 1.00 0.00 O ATOM 0 H ASP A 5 13.649 -0.825 -11.320 1.00 0.00 H new ATOM 0 HA ASP A 5 13.565 0.714 -13.091 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.933 -1.787 -13.835 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.194 -1.073 -15.254 1.00 0.00 H new ATOM 67 N SER A 6 10.980 -0.220 -13.474 1.00 0.00 N ATOM 68 CA SER A 6 9.660 -0.249 -14.170 1.00 0.00 C ATOM 69 C SER A 6 8.909 1.066 -13.944 1.00 0.00 C ATOM 70 O SER A 6 9.253 1.848 -13.078 1.00 0.00 O ATOM 71 CB SER A 6 8.903 -1.414 -13.532 1.00 0.00 C ATOM 72 OG SER A 6 9.257 -2.621 -14.194 1.00 0.00 O ATOM 0 H SER A 6 10.935 -0.086 -12.464 1.00 0.00 H new ATOM 0 HA SER A 6 9.766 -0.371 -15.248 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.145 -1.483 -12.471 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.828 -1.248 -13.604 1.00 0.00 H new ATOM 0 HG SER A 6 8.775 -3.371 -13.787 1.00 0.00 H new ATOM 78 N ILE A 7 7.885 1.315 -14.716 1.00 0.00 N ATOM 79 CA ILE A 7 7.108 2.578 -14.550 1.00 0.00 C ATOM 80 C ILE A 7 5.657 2.259 -14.176 1.00 0.00 C ATOM 81 O ILE A 7 5.213 2.543 -13.081 1.00 0.00 O ATOM 82 CB ILE A 7 7.174 3.268 -15.915 1.00 0.00 C ATOM 83 CG1 ILE A 7 8.637 3.543 -16.285 1.00 0.00 C ATOM 84 CG2 ILE A 7 6.405 4.591 -15.861 1.00 0.00 C ATOM 85 CD1 ILE A 7 9.282 4.442 -15.226 1.00 0.00 C ATOM 0 H ILE A 7 7.552 0.697 -15.456 1.00 0.00 H new ATOM 0 HA ILE A 7 7.509 3.209 -13.757 1.00 0.00 H new ATOM 0 HB ILE A 7 6.726 2.618 -16.667 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.185 2.604 -16.360 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.690 4.022 -17.263 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.454 5.080 -16.834 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.364 4.396 -15.604 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.850 5.240 -15.106 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.321 4.633 -15.495 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.741 5.387 -15.172 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.244 3.947 -14.256 1.00 0.00 H new ATOM 97 N GLU A 8 4.918 1.666 -15.077 1.00 0.00 N ATOM 98 CA GLU A 8 3.492 1.320 -14.784 1.00 0.00 C ATOM 99 C GLU A 8 2.731 2.550 -14.276 1.00 0.00 C ATOM 100 O GLU A 8 2.774 2.880 -13.107 1.00 0.00 O ATOM 101 CB GLU A 8 3.557 0.242 -13.700 1.00 0.00 C ATOM 102 CG GLU A 8 4.318 -0.973 -14.234 1.00 0.00 C ATOM 103 CD GLU A 8 4.339 -2.073 -13.171 1.00 0.00 C ATOM 104 OE1 GLU A 8 4.970 -1.867 -12.146 1.00 0.00 O ATOM 105 OE2 GLU A 8 3.724 -3.101 -13.398 1.00 0.00 O ATOM 0 H GLU A 8 5.241 1.404 -16.008 1.00 0.00 H new ATOM 0 HA GLU A 8 2.966 0.973 -15.673 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.053 0.634 -12.812 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.550 -0.049 -13.401 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.843 -1.341 -15.143 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.337 -0.689 -14.499 1.00 0.00 H new ATOM 112 N MET A 9 2.034 3.227 -15.149 1.00 0.00 N ATOM 113 CA MET A 9 1.271 4.431 -14.728 1.00 0.00 C ATOM 114 C MET A 9 -0.227 4.115 -14.674 1.00 0.00 C ATOM 115 O MET A 9 -1.060 4.982 -14.853 1.00 0.00 O ATOM 116 CB MET A 9 1.558 5.481 -15.802 1.00 0.00 C ATOM 117 CG MET A 9 3.061 5.778 -15.842 1.00 0.00 C ATOM 118 SD MET A 9 3.641 5.763 -17.558 1.00 0.00 S ATOM 119 CE MET A 9 3.279 4.023 -17.902 1.00 0.00 C ATOM 0 H MET A 9 1.962 2.994 -16.139 1.00 0.00 H new ATOM 0 HA MET A 9 1.560 4.775 -13.735 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.222 5.122 -16.775 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.002 6.394 -15.590 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.262 6.749 -15.389 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.604 5.035 -15.258 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.722 3.741 -18.857 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.697 3.401 -17.111 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.200 3.878 -17.945 1.00 0.00 H new ATOM 129 N TYR A 10 -0.573 2.878 -14.433 1.00 0.00 N ATOM 130 CA TYR A 10 -2.018 2.501 -14.372 1.00 0.00 C ATOM 131 C TYR A 10 -2.764 3.392 -13.364 1.00 0.00 C ATOM 132 O TYR A 10 -3.206 4.473 -13.698 1.00 0.00 O ATOM 133 CB TYR A 10 -2.028 1.035 -13.931 1.00 0.00 C ATOM 134 CG TYR A 10 -1.888 0.144 -15.141 1.00 0.00 C ATOM 135 CD1 TYR A 10 -2.831 0.214 -16.173 1.00 0.00 C ATOM 136 CD2 TYR A 10 -0.815 -0.752 -15.231 1.00 0.00 C ATOM 137 CE1 TYR A 10 -2.701 -0.612 -17.297 1.00 0.00 C ATOM 138 CE2 TYR A 10 -0.686 -1.578 -16.354 1.00 0.00 C ATOM 139 CZ TYR A 10 -1.629 -1.508 -17.387 1.00 0.00 C ATOM 140 OH TYR A 10 -1.501 -2.322 -18.494 1.00 0.00 O ATOM 0 H TYR A 10 0.082 2.112 -14.276 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.522 2.635 -15.329 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.212 0.849 -13.233 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.956 0.809 -13.405 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.658 0.904 -16.103 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.088 -0.806 -14.434 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.428 -0.558 -18.094 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.141 -2.269 -16.424 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.703 -2.882 -18.398 1.00 0.00 H new ATOM 150 N GLU A 11 -2.912 2.953 -12.138 1.00 0.00 N ATOM 151 CA GLU A 11 -3.631 3.789 -11.132 1.00 0.00 C ATOM 152 C GLU A 11 -3.088 3.528 -9.724 1.00 0.00 C ATOM 153 O GLU A 11 -2.853 4.445 -8.962 1.00 0.00 O ATOM 154 CB GLU A 11 -5.093 3.348 -11.217 1.00 0.00 C ATOM 155 CG GLU A 11 -6.011 4.545 -10.967 1.00 0.00 C ATOM 156 CD GLU A 11 -6.529 5.083 -12.302 1.00 0.00 C ATOM 157 OE1 GLU A 11 -7.228 4.350 -12.983 1.00 0.00 O ATOM 158 OE2 GLU A 11 -6.217 6.219 -12.622 1.00 0.00 O ATOM 0 H GLU A 11 -2.568 2.057 -11.794 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.506 4.853 -11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.297 2.921 -12.199 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.290 2.567 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.847 4.249 -10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.469 5.326 -10.434 1.00 0.00 H new ATOM 165 N TRP A 12 -2.908 2.285 -9.365 1.00 0.00 N ATOM 166 CA TRP A 12 -2.402 1.967 -7.997 1.00 0.00 C ATOM 167 C TRP A 12 -1.074 2.676 -7.712 1.00 0.00 C ATOM 168 O TRP A 12 -0.672 2.812 -6.575 1.00 0.00 O ATOM 169 CB TRP A 12 -2.210 0.448 -7.978 1.00 0.00 C ATOM 170 CG TRP A 12 -1.267 0.042 -9.067 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.637 -0.421 -10.283 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.189 0.055 -9.058 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.499 -0.694 -11.022 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.652 -0.416 -10.310 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.144 0.427 -8.095 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.014 -0.517 -10.595 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.516 0.327 -8.379 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.949 -0.143 -9.627 1.00 0.00 C ATOM 0 H TRP A 12 -3.089 1.476 -9.959 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.099 2.305 -7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.819 0.134 -7.010 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.170 -0.051 -8.111 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.654 -0.556 -10.622 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.509 -1.056 -11.976 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.821 0.792 -7.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.343 -0.882 -11.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.241 0.614 -7.632 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.005 -0.216 -9.840 1.00 0.00 H new ATOM 189 N TYR A 13 -0.385 3.124 -8.727 1.00 0.00 N ATOM 190 CA TYR A 13 0.917 3.815 -8.489 1.00 0.00 C ATOM 191 C TYR A 13 0.681 5.287 -8.143 1.00 0.00 C ATOM 192 O TYR A 13 -0.097 5.967 -8.783 1.00 0.00 O ATOM 193 CB TYR A 13 1.676 3.689 -9.809 1.00 0.00 C ATOM 194 CG TYR A 13 3.121 4.066 -9.594 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.874 3.416 -8.610 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.708 5.068 -10.376 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.214 3.764 -8.409 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.047 5.417 -10.175 1.00 0.00 C ATOM 199 CZ TYR A 13 5.801 4.765 -9.192 1.00 0.00 C ATOM 200 OH TYR A 13 7.123 5.109 -8.994 1.00 0.00 O ATOM 0 H TYR A 13 -0.664 3.043 -9.705 1.00 0.00 H new ATOM 0 HA TYR A 13 1.470 3.380 -7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.607 2.668 -10.185 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.228 4.337 -10.562 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.420 2.645 -8.005 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.127 5.571 -11.134 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.795 3.261 -7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.500 6.190 -10.778 1.00 0.00 H new ATOM 0 HH TYR A 13 7.442 5.634 -9.757 1.00 0.00 H new ATOM 210 N SER A 14 1.345 5.784 -7.130 1.00 0.00 N ATOM 211 CA SER A 14 1.153 7.212 -6.743 1.00 0.00 C ATOM 212 C SER A 14 2.475 7.823 -6.275 1.00 0.00 C ATOM 213 O SER A 14 3.178 7.261 -5.458 1.00 0.00 O ATOM 214 CB SER A 14 0.149 7.187 -5.593 1.00 0.00 C ATOM 215 OG SER A 14 -0.820 6.174 -5.831 1.00 0.00 O ATOM 0 H SER A 14 2.009 5.264 -6.557 1.00 0.00 H new ATOM 0 HA SER A 14 0.802 7.814 -7.581 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.664 6.998 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.339 8.157 -5.501 1.00 0.00 H new ATOM 0 HG SER A 14 -1.672 6.434 -5.422 1.00 0.00 H new ATOM 221 N LYS A 15 2.814 8.971 -6.792 1.00 0.00 N ATOM 222 CA LYS A 15 4.088 9.631 -6.388 1.00 0.00 C ATOM 223 C LYS A 15 3.902 10.419 -5.088 1.00 0.00 C ATOM 224 O LYS A 15 3.171 11.388 -5.034 1.00 0.00 O ATOM 225 CB LYS A 15 4.430 10.573 -7.547 1.00 0.00 C ATOM 226 CG LYS A 15 5.660 10.047 -8.300 1.00 0.00 C ATOM 227 CD LYS A 15 5.466 8.566 -8.645 1.00 0.00 C ATOM 228 CE LYS A 15 6.384 7.708 -7.765 1.00 0.00 C ATOM 229 NZ LYS A 15 5.495 6.680 -7.147 1.00 0.00 N ATOM 0 H LYS A 15 2.262 9.483 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 15 4.881 8.908 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.582 10.650 -8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.626 11.576 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.814 10.625 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.553 10.173 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.426 8.279 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.691 8.395 -9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.172 7.241 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.874 8.313 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.581 6.724 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.509 6.864 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.775 5.735 -7.478 1.00 0.00 H new ATOM 243 N HIS A 16 4.573 10.005 -4.046 1.00 0.00 N ATOM 244 CA HIS A 16 4.469 10.713 -2.736 1.00 0.00 C ATOM 245 C HIS A 16 3.016 10.785 -2.262 1.00 0.00 C ATOM 246 O HIS A 16 2.570 11.796 -1.756 1.00 0.00 O ATOM 247 CB HIS A 16 5.024 12.116 -2.990 1.00 0.00 C ATOM 248 CG HIS A 16 6.469 12.023 -3.399 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.241 10.899 -3.145 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.298 12.908 -4.044 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.473 11.135 -3.632 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.562 12.346 -4.190 1.00 0.00 N ATOM 0 H HIS A 16 5.196 9.197 -4.047 1.00 0.00 H new ATOM 0 HA HIS A 16 5.020 10.191 -1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.446 12.610 -3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.929 12.724 -2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.012 13.892 -4.386 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.290 10.431 -3.578 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.381 12.768 -4.629 1.00 0.00 H new ATOM 260 N MET A 17 2.276 9.717 -2.407 1.00 0.00 N ATOM 261 CA MET A 17 0.859 9.730 -1.943 1.00 0.00 C ATOM 262 C MET A 17 0.820 9.495 -0.429 1.00 0.00 C ATOM 263 O MET A 17 1.399 8.554 0.079 1.00 0.00 O ATOM 264 CB MET A 17 0.180 8.586 -2.700 1.00 0.00 C ATOM 265 CG MET A 17 -1.228 8.354 -2.143 1.00 0.00 C ATOM 266 SD MET A 17 -1.173 7.065 -0.874 1.00 0.00 S ATOM 267 CE MET A 17 -0.718 5.693 -1.961 1.00 0.00 C ATOM 0 H MET A 17 2.590 8.841 -2.825 1.00 0.00 H new ATOM 0 HA MET A 17 0.357 10.679 -2.133 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.125 8.824 -3.762 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.772 7.675 -2.607 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.620 9.279 -1.720 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.904 8.060 -2.946 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.400 4.859 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.780 6.016 -3.000 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.301 5.376 -1.740 1.00 0.00 H new ATOM 277 N THR A 18 0.158 10.358 0.295 1.00 0.00 N ATOM 278 CA THR A 18 0.097 10.207 1.779 1.00 0.00 C ATOM 279 C THR A 18 -0.686 8.952 2.180 1.00 0.00 C ATOM 280 O THR A 18 -1.699 8.619 1.595 1.00 0.00 O ATOM 281 CB THR A 18 -0.622 11.461 2.277 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.102 12.601 1.607 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.403 11.606 3.782 1.00 0.00 C ATOM 0 H THR A 18 -0.345 11.163 -0.078 1.00 0.00 H new ATOM 0 HA THR A 18 1.092 10.098 2.210 1.00 0.00 H new ATOM 0 HB THR A 18 -1.689 11.377 2.072 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.563 13.405 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.915 12.499 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.802 10.730 4.294 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.664 11.692 3.988 1.00 0.00 H new ATOM 291 N ARG A 19 -0.221 8.264 3.191 1.00 0.00 N ATOM 292 CA ARG A 19 -0.927 7.035 3.665 1.00 0.00 C ATOM 293 C ARG A 19 -2.394 7.353 3.950 1.00 0.00 C ATOM 294 O ARG A 19 -3.291 6.583 3.654 1.00 0.00 O ATOM 295 CB ARG A 19 -0.212 6.657 4.969 1.00 0.00 C ATOM 296 CG ARG A 19 -0.465 7.737 6.036 1.00 0.00 C ATOM 297 CD ARG A 19 0.459 7.501 7.233 1.00 0.00 C ATOM 298 NE ARG A 19 -0.322 7.955 8.417 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.485 7.158 9.437 1.00 0.00 C ATOM 300 NH1 ARG A 19 0.553 6.614 10.012 1.00 0.00 N ATOM 301 NH2 ARG A 19 -1.685 6.905 9.882 1.00 0.00 N ATOM 0 H ARG A 19 0.623 8.502 3.712 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.905 6.232 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.571 5.691 5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.858 6.553 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.287 8.727 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.506 7.709 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.732 6.449 7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.387 8.064 7.133 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.730 8.890 8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.491 6.812 9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.426 5.991 10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.496 7.330 9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.812 6.282 10.679 1.00 0.00 H new ATOM 315 N SER A 20 -2.625 8.491 4.530 1.00 0.00 N ATOM 316 CA SER A 20 -4.006 8.905 4.866 1.00 0.00 C ATOM 317 C SER A 20 -4.791 9.143 3.578 1.00 0.00 C ATOM 318 O SER A 20 -5.939 8.762 3.464 1.00 0.00 O ATOM 319 CB SER A 20 -3.812 10.184 5.682 1.00 0.00 C ATOM 320 OG SER A 20 -4.651 11.217 5.178 1.00 0.00 O ATOM 0 H SER A 20 -1.902 9.162 4.789 1.00 0.00 H new ATOM 0 HA SER A 20 -4.575 8.162 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.044 9.995 6.730 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.769 10.498 5.638 1.00 0.00 H new ATOM 0 HG SER A 20 -4.521 12.031 5.708 1.00 0.00 H new ATOM 326 N GLN A 21 -4.172 9.740 2.593 1.00 0.00 N ATOM 327 CA GLN A 21 -4.880 9.959 1.304 1.00 0.00 C ATOM 328 C GLN A 21 -5.305 8.604 0.747 1.00 0.00 C ATOM 329 O GLN A 21 -6.369 8.456 0.178 1.00 0.00 O ATOM 330 CB GLN A 21 -3.861 10.631 0.386 1.00 0.00 C ATOM 331 CG GLN A 21 -3.674 12.084 0.823 1.00 0.00 C ATOM 332 CD GLN A 21 -4.826 12.934 0.285 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.313 12.699 -0.803 1.00 0.00 O ATOM 334 NE2 GLN A 21 -5.282 13.920 1.006 1.00 0.00 N ATOM 0 H GLN A 21 -3.212 10.083 2.628 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.774 10.575 1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.910 10.100 0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.203 10.591 -0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.640 12.146 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.723 12.466 0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.872 14.116 1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.049 14.495 0.657 1.00 0.00 H new ATOM 343 N ALA A 22 -4.483 7.604 0.935 1.00 0.00 N ATOM 344 CA ALA A 22 -4.841 6.247 0.450 1.00 0.00 C ATOM 345 C ALA A 22 -6.067 5.754 1.209 1.00 0.00 C ATOM 346 O ALA A 22 -7.016 5.275 0.628 1.00 0.00 O ATOM 347 CB ALA A 22 -3.623 5.371 0.750 1.00 0.00 C ATOM 0 H ALA A 22 -3.580 7.673 1.404 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.083 6.228 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.817 4.351 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.753 5.765 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.430 5.372 1.823 1.00 0.00 H new ATOM 353 N GLU A 23 -6.058 5.883 2.508 1.00 0.00 N ATOM 354 CA GLU A 23 -7.235 5.434 3.310 1.00 0.00 C ATOM 355 C GLU A 23 -8.504 6.138 2.828 1.00 0.00 C ATOM 356 O GLU A 23 -9.505 5.504 2.556 1.00 0.00 O ATOM 357 CB GLU A 23 -6.928 5.841 4.753 1.00 0.00 C ATOM 358 CG GLU A 23 -5.685 5.103 5.249 1.00 0.00 C ATOM 359 CD GLU A 23 -5.407 5.496 6.701 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.218 5.167 7.550 1.00 0.00 O ATOM 361 OE2 GLU A 23 -4.385 6.120 6.939 1.00 0.00 O ATOM 0 H GLU A 23 -5.289 6.279 3.049 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.401 4.361 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.769 6.918 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.779 5.610 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.834 4.026 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.828 5.350 4.623 1.00 0.00 H new ATOM 368 N GLN A 24 -8.479 7.442 2.733 1.00 0.00 N ATOM 369 CA GLN A 24 -9.698 8.164 2.283 1.00 0.00 C ATOM 370 C GLN A 24 -10.005 7.844 0.821 1.00 0.00 C ATOM 371 O GLN A 24 -11.135 7.562 0.476 1.00 0.00 O ATOM 372 CB GLN A 24 -9.410 9.657 2.477 1.00 0.00 C ATOM 373 CG GLN A 24 -8.224 10.094 1.617 1.00 0.00 C ATOM 374 CD GLN A 24 -7.908 11.564 1.904 1.00 0.00 C ATOM 375 OE1 GLN A 24 -7.795 12.400 0.909 1.00 0.00 O flip ATOM 376 NE2 GLN A 24 -7.764 11.955 3.045 1.00 0.00 N flip ATOM 0 H GLN A 24 -7.674 8.031 2.946 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.574 7.861 2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.292 10.240 2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.198 9.858 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.354 9.474 1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.456 9.959 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.852 11.301 3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.555 12.937 3.225 1.00 0.00 H new ATOM 385 N LEU A 25 -9.025 7.870 -0.047 1.00 0.00 N ATOM 386 CA LEU A 25 -9.326 7.547 -1.466 1.00 0.00 C ATOM 387 C LEU A 25 -9.725 6.075 -1.569 1.00 0.00 C ATOM 388 O LEU A 25 -10.503 5.693 -2.420 1.00 0.00 O ATOM 389 CB LEU A 25 -8.054 7.873 -2.269 1.00 0.00 C ATOM 390 CG LEU A 25 -7.066 6.704 -2.235 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.433 5.690 -3.323 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.656 7.236 -2.492 1.00 0.00 C ATOM 0 H LEU A 25 -8.053 8.096 0.162 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.160 8.126 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.320 8.098 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.581 8.765 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.106 6.217 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.729 4.858 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.442 5.317 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.390 6.172 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.946 6.410 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.621 7.718 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.394 7.960 -1.721 1.00 0.00 H new ATOM 404 N LEU A 26 -9.227 5.251 -0.681 1.00 0.00 N ATOM 405 CA LEU A 26 -9.619 3.819 -0.711 1.00 0.00 C ATOM 406 C LEU A 26 -11.061 3.712 -0.219 1.00 0.00 C ATOM 407 O LEU A 26 -11.947 3.306 -0.945 1.00 0.00 O ATOM 408 CB LEU A 26 -8.663 3.110 0.248 1.00 0.00 C ATOM 409 CG LEU A 26 -7.453 2.574 -0.528 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.362 2.132 0.454 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.883 1.379 -1.383 1.00 0.00 C ATOM 0 H LEU A 26 -8.571 5.510 0.056 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.563 3.377 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.332 3.801 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.178 2.290 0.749 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.061 3.362 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.505 1.752 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.053 2.983 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.752 1.347 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.023 0.998 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.278 0.594 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.655 1.693 -2.086 1.00 0.00 H new ATOM 423 N LYS A 27 -11.308 4.106 1.008 1.00 0.00 N ATOM 424 CA LYS A 27 -12.701 4.061 1.541 1.00 0.00 C ATOM 425 C LYS A 27 -13.647 4.801 0.588 1.00 0.00 C ATOM 426 O LYS A 27 -14.772 4.394 0.370 1.00 0.00 O ATOM 427 CB LYS A 27 -12.625 4.793 2.882 1.00 0.00 C ATOM 428 CG LYS A 27 -13.288 3.949 3.974 1.00 0.00 C ATOM 429 CD LYS A 27 -14.610 4.596 4.381 1.00 0.00 C ATOM 430 CE LYS A 27 -15.504 3.550 5.052 1.00 0.00 C ATOM 431 NZ LYS A 27 -14.953 3.399 6.427 1.00 0.00 N ATOM 0 H LYS A 27 -10.605 4.455 1.659 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.077 3.043 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.584 4.987 3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.121 5.761 2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.462 2.936 3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.628 3.869 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.426 5.425 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.110 5.009 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.544 3.877 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.480 2.604 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.524 2.710 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.970 3.065 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.980 4.317 6.914 1.00 0.00 H new ATOM 445 N GLN A 28 -13.193 5.891 0.027 1.00 0.00 N ATOM 446 CA GLN A 28 -14.057 6.676 -0.907 1.00 0.00 C ATOM 447 C GLN A 28 -14.366 5.875 -2.180 1.00 0.00 C ATOM 448 O GLN A 28 -15.511 5.752 -2.571 1.00 0.00 O ATOM 449 CB GLN A 28 -13.254 7.933 -1.241 1.00 0.00 C ATOM 450 CG GLN A 28 -14.110 8.866 -2.101 1.00 0.00 C ATOM 451 CD GLN A 28 -13.548 10.288 -2.029 1.00 0.00 C ATOM 452 OE1 GLN A 28 -12.382 10.479 -1.742 1.00 0.00 O ATOM 453 NE2 GLN A 28 -14.332 11.300 -2.279 1.00 0.00 N ATOM 0 H GLN A 28 -12.259 6.273 0.175 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.020 6.916 -0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.952 8.440 -0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.341 7.665 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.119 8.519 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.143 8.854 -1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.310 11.140 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.967 12.251 -2.234 1.00 0.00 H new ATOM 462 N GLU A 29 -13.371 5.319 -2.833 1.00 0.00 N ATOM 463 CA GLU A 29 -13.657 4.525 -4.068 1.00 0.00 C ATOM 464 C GLU A 29 -14.598 3.377 -3.692 1.00 0.00 C ATOM 465 O GLU A 29 -15.517 3.047 -4.416 1.00 0.00 O ATOM 466 CB GLU A 29 -12.295 4.023 -4.580 1.00 0.00 C ATOM 467 CG GLU A 29 -12.248 4.098 -6.111 1.00 0.00 C ATOM 468 CD GLU A 29 -13.444 3.364 -6.721 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.559 3.819 -6.526 1.00 0.00 O ATOM 470 OE2 GLU A 29 -13.223 2.368 -7.386 1.00 0.00 O ATOM 0 H GLU A 29 -12.388 5.380 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.147 5.103 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.493 4.625 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.131 2.996 -4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.252 5.140 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.320 3.657 -6.474 1.00 0.00 H new ATOM 477 N GLY A 30 -14.409 2.813 -2.528 1.00 0.00 N ATOM 478 CA GLY A 30 -15.322 1.738 -2.056 1.00 0.00 C ATOM 479 C GLY A 30 -14.994 0.383 -2.690 1.00 0.00 C ATOM 480 O GLY A 30 -15.839 -0.486 -2.769 1.00 0.00 O ATOM 0 H GLY A 30 -13.657 3.054 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.254 1.656 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.351 2.008 -2.291 1.00 0.00 H new ATOM 484 N LYS A 31 -13.786 0.183 -3.133 1.00 0.00 N ATOM 485 CA LYS A 31 -13.428 -1.133 -3.745 1.00 0.00 C ATOM 486 C LYS A 31 -12.874 -2.080 -2.680 1.00 0.00 C ATOM 487 O LYS A 31 -11.853 -1.813 -2.077 1.00 0.00 O ATOM 488 CB LYS A 31 -12.346 -0.807 -4.775 1.00 0.00 C ATOM 489 CG LYS A 31 -12.832 0.315 -5.703 1.00 0.00 C ATOM 490 CD LYS A 31 -14.230 -0.012 -6.246 1.00 0.00 C ATOM 491 CE LYS A 31 -14.181 -1.317 -7.044 1.00 0.00 C ATOM 492 NZ LYS A 31 -15.606 -1.650 -7.322 1.00 0.00 N ATOM 0 H LYS A 31 -13.031 0.868 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.291 -1.626 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.430 -0.502 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.107 -1.696 -5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.857 1.260 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.133 0.441 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.938 -0.104 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.583 0.801 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.616 -1.194 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.694 -2.109 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.656 -2.534 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.117 -1.768 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.042 -0.881 -7.870 1.00 0.00 H new ATOM 506 N GLU A 32 -13.528 -3.190 -2.442 1.00 0.00 N ATOM 507 CA GLU A 32 -13.003 -4.134 -1.410 1.00 0.00 C ATOM 508 C GLU A 32 -11.693 -4.749 -1.883 1.00 0.00 C ATOM 509 O GLU A 32 -11.670 -5.632 -2.719 1.00 0.00 O ATOM 510 CB GLU A 32 -14.058 -5.221 -1.206 1.00 0.00 C ATOM 511 CG GLU A 32 -14.523 -5.773 -2.559 1.00 0.00 C ATOM 512 CD GLU A 32 -14.618 -7.299 -2.484 1.00 0.00 C ATOM 513 OE1 GLU A 32 -15.661 -7.788 -2.085 1.00 0.00 O ATOM 514 OE2 GLU A 32 -13.645 -7.951 -2.826 1.00 0.00 O ATOM 0 H GLU A 32 -14.388 -3.479 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.807 -3.612 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.646 -6.027 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.909 -4.813 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.493 -5.350 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.824 -5.480 -3.343 1.00 0.00 H new ATOM 521 N GLY A 33 -10.602 -4.285 -1.351 1.00 0.00 N ATOM 522 CA GLY A 33 -9.285 -4.822 -1.750 1.00 0.00 C ATOM 523 C GLY A 33 -8.539 -3.791 -2.600 1.00 0.00 C ATOM 524 O GLY A 33 -7.595 -4.122 -3.286 1.00 0.00 O ATOM 0 H GLY A 33 -10.570 -3.547 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.699 -5.068 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.415 -5.746 -2.314 1.00 0.00 H new ATOM 528 N GLY A 34 -8.939 -2.539 -2.558 1.00 0.00 N ATOM 529 CA GLY A 34 -8.232 -1.501 -3.366 1.00 0.00 C ATOM 530 C GLY A 34 -6.732 -1.639 -3.143 1.00 0.00 C ATOM 531 O GLY A 34 -6.299 -2.089 -2.101 1.00 0.00 O ATOM 0 H GLY A 34 -9.721 -2.196 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.468 -1.621 -4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.566 -0.505 -3.075 1.00 0.00 H new ATOM 535 N PHE A 35 -5.938 -1.291 -4.118 1.00 0.00 N ATOM 536 CA PHE A 35 -4.464 -1.441 -3.958 1.00 0.00 C ATOM 537 C PHE A 35 -3.715 -0.225 -4.518 1.00 0.00 C ATOM 538 O PHE A 35 -3.866 0.132 -5.671 1.00 0.00 O ATOM 539 CB PHE A 35 -4.135 -2.696 -4.765 1.00 0.00 C ATOM 540 CG PHE A 35 -2.661 -2.998 -4.670 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.750 -2.272 -5.445 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.206 -4.008 -3.815 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.382 -2.557 -5.366 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.838 -4.292 -3.734 1.00 0.00 C ATOM 545 CZ PHE A 35 0.074 -3.567 -4.511 1.00 0.00 C ATOM 0 H PHE A 35 -6.244 -0.911 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.166 -1.516 -2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.713 -3.541 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.419 -2.553 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.102 -1.492 -6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.910 -4.568 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.322 -1.998 -5.965 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.486 -5.070 -3.073 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.130 -3.787 -4.450 1.00 0.00 H new ATOM 555 N ILE A 36 -2.893 0.398 -3.712 1.00 0.00 N ATOM 556 CA ILE A 36 -2.112 1.577 -4.196 1.00 0.00 C ATOM 557 C ILE A 36 -0.657 1.446 -3.741 1.00 0.00 C ATOM 558 O ILE A 36 -0.346 0.686 -2.846 1.00 0.00 O ATOM 559 CB ILE A 36 -2.749 2.807 -3.545 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.274 2.740 -3.664 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.239 4.068 -4.250 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.891 3.994 -3.037 1.00 0.00 C ATOM 0 H ILE A 36 -2.729 0.141 -2.739 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.125 1.650 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.478 2.834 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.565 2.664 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.650 1.848 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.689 4.948 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.154 4.124 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.510 4.030 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.977 3.947 -3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.611 4.050 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.525 4.879 -3.558 1.00 0.00 H new ATOM 574 N VAL A 37 0.238 2.184 -4.342 1.00 0.00 N ATOM 575 CA VAL A 37 1.671 2.101 -3.933 1.00 0.00 C ATOM 576 C VAL A 37 2.366 3.447 -4.149 1.00 0.00 C ATOM 577 O VAL A 37 2.075 4.162 -5.090 1.00 0.00 O ATOM 578 CB VAL A 37 2.296 1.031 -4.831 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.766 0.844 -4.446 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.553 -0.294 -4.649 1.00 0.00 C ATOM 0 H VAL A 37 0.039 2.840 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 37 1.774 1.852 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 37 2.224 1.345 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.215 0.082 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.299 1.786 -4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.832 0.530 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.001 -1.053 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.623 -0.610 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.505 -0.164 -4.919 1.00 0.00 H new ATOM 590 N ARG A 38 3.289 3.794 -3.293 1.00 0.00 N ATOM 591 CA ARG A 38 4.010 5.091 -3.457 1.00 0.00 C ATOM 592 C ARG A 38 5.441 4.975 -2.921 1.00 0.00 C ATOM 593 O ARG A 38 5.754 4.091 -2.147 1.00 0.00 O ATOM 594 CB ARG A 38 3.207 6.112 -2.645 1.00 0.00 C ATOM 595 CG ARG A 38 3.134 5.674 -1.180 1.00 0.00 C ATOM 596 CD ARG A 38 4.286 6.311 -0.399 1.00 0.00 C ATOM 597 NE ARG A 38 3.670 6.800 0.865 1.00 0.00 N ATOM 598 CZ ARG A 38 4.036 6.289 2.009 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.273 6.402 2.409 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.164 5.667 2.754 1.00 0.00 N ATOM 0 H ARG A 38 3.575 3.237 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 38 4.088 5.385 -4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.674 7.094 -2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.202 6.206 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.179 5.972 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.190 4.588 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.075 5.587 -0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.739 7.129 -0.960 1.00 0.00 H new ATOM 0 HE ARG A 38 2.962 7.534 0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.954 6.890 1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.558 6.003 3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.197 5.580 2.442 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.450 5.268 3.648 1.00 0.00 H new ATOM 614 N ASP A 39 6.310 5.858 -3.334 1.00 0.00 N ATOM 615 CA ASP A 39 7.726 5.800 -2.859 1.00 0.00 C ATOM 616 C ASP A 39 7.843 6.351 -1.434 1.00 0.00 C ATOM 617 O ASP A 39 6.914 6.924 -0.899 1.00 0.00 O ATOM 618 CB ASP A 39 8.509 6.678 -3.836 1.00 0.00 C ATOM 619 CG ASP A 39 10.004 6.376 -3.710 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.409 5.306 -4.133 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.717 7.219 -3.193 1.00 0.00 O ATOM 0 H ASP A 39 6.102 6.619 -3.981 1.00 0.00 H new ATOM 0 HA ASP A 39 8.103 4.778 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.175 6.492 -4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.321 7.731 -3.626 1.00 0.00 H new ATOM 626 N SER A 40 8.983 6.180 -0.817 1.00 0.00 N ATOM 627 CA SER A 40 9.173 6.691 0.574 1.00 0.00 C ATOM 628 C SER A 40 10.266 7.771 0.596 1.00 0.00 C ATOM 629 O SER A 40 10.402 8.538 -0.338 1.00 0.00 O ATOM 630 CB SER A 40 9.598 5.467 1.385 1.00 0.00 C ATOM 631 OG SER A 40 9.223 5.652 2.743 1.00 0.00 O ATOM 0 H SER A 40 9.793 5.707 -1.217 1.00 0.00 H new ATOM 0 HA SER A 40 8.271 7.151 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.127 4.569 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.676 5.322 1.309 1.00 0.00 H new ATOM 0 HG SER A 40 8.491 5.040 2.966 1.00 0.00 H new ATOM 637 N SER A 41 11.042 7.842 1.649 1.00 0.00 N ATOM 638 CA SER A 41 12.115 8.880 1.714 1.00 0.00 C ATOM 639 C SER A 41 13.310 8.368 2.526 1.00 0.00 C ATOM 640 O SER A 41 14.416 8.279 2.029 1.00 0.00 O ATOM 641 CB SER A 41 11.467 10.075 2.412 1.00 0.00 C ATOM 642 OG SER A 41 12.436 11.102 2.581 1.00 0.00 O ATOM 0 H SER A 41 10.979 7.229 2.462 1.00 0.00 H new ATOM 0 HA SER A 41 12.495 9.139 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.628 10.444 1.822 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.068 9.773 3.380 1.00 0.00 H new ATOM 0 HG SER A 41 12.023 11.871 3.027 1.00 0.00 H new ATOM 648 N LYS A 42 13.098 8.037 3.774 1.00 0.00 N ATOM 649 CA LYS A 42 14.223 7.535 4.623 1.00 0.00 C ATOM 650 C LYS A 42 14.951 6.383 3.923 1.00 0.00 C ATOM 651 O LYS A 42 16.087 6.512 3.511 1.00 0.00 O ATOM 652 CB LYS A 42 13.561 7.044 5.911 1.00 0.00 C ATOM 653 CG LYS A 42 13.354 8.224 6.867 1.00 0.00 C ATOM 654 CD LYS A 42 14.360 8.138 8.018 1.00 0.00 C ATOM 655 CE LYS A 42 13.682 8.564 9.322 1.00 0.00 C ATOM 656 NZ LYS A 42 14.632 8.163 10.397 1.00 0.00 N ATOM 0 H LYS A 42 12.194 8.092 4.243 1.00 0.00 H new ATOM 0 HA LYS A 42 14.967 8.308 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.604 6.575 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.183 6.284 6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.479 9.165 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.337 8.213 7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.739 7.120 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.217 8.780 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.497 9.638 9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.717 8.073 9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.237 8.422 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.783 7.135 10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.540 8.652 10.258 1.00 0.00 H new ATOM 670 N ALA A 43 14.299 5.260 3.782 1.00 0.00 N ATOM 671 CA ALA A 43 14.945 4.098 3.102 1.00 0.00 C ATOM 672 C ALA A 43 14.752 4.198 1.591 1.00 0.00 C ATOM 673 O ALA A 43 15.380 3.492 0.828 1.00 0.00 O ATOM 674 CB ALA A 43 14.206 2.864 3.625 1.00 0.00 C ATOM 0 H ALA A 43 13.347 5.096 4.108 1.00 0.00 H new ATOM 0 HA ALA A 43 16.016 4.060 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.626 1.968 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.316 2.806 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.149 2.939 3.371 1.00 0.00 H new ATOM 680 N GLY A 44 13.858 5.041 1.159 1.00 0.00 N ATOM 681 CA GLY A 44 13.593 5.148 -0.298 1.00 0.00 C ATOM 682 C GLY A 44 12.845 3.885 -0.716 1.00 0.00 C ATOM 683 O GLY A 44 12.939 3.432 -1.840 1.00 0.00 O ATOM 0 H GLY A 44 13.302 5.658 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.000 6.036 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.526 5.243 -0.853 1.00 0.00 H new ATOM 687 N LYS A 45 12.109 3.309 0.201 1.00 0.00 N ATOM 688 CA LYS A 45 11.356 2.066 -0.109 1.00 0.00 C ATOM 689 C LYS A 45 9.966 2.418 -0.646 1.00 0.00 C ATOM 690 O LYS A 45 9.675 3.563 -0.931 1.00 0.00 O ATOM 691 CB LYS A 45 11.246 1.325 1.227 1.00 0.00 C ATOM 692 CG LYS A 45 10.389 2.136 2.206 1.00 0.00 C ATOM 693 CD LYS A 45 10.991 2.051 3.612 1.00 0.00 C ATOM 694 CE LYS A 45 10.919 3.423 4.285 1.00 0.00 C ATOM 695 NZ LYS A 45 11.299 3.174 5.705 1.00 0.00 N ATOM 0 H LYS A 45 12.000 3.652 1.155 1.00 0.00 H new ATOM 0 HA LYS A 45 11.848 1.459 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.803 0.341 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.239 1.165 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.338 3.176 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.368 1.754 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.450 1.314 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.027 1.716 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.600 4.131 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.917 3.847 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.273 4.069 6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.630 2.501 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.260 2.777 5.743 1.00 0.00 H new ATOM 709 N TYR A 46 9.107 1.445 -0.785 1.00 0.00 N ATOM 710 CA TYR A 46 7.737 1.734 -1.302 1.00 0.00 C ATOM 711 C TYR A 46 6.688 1.358 -0.251 1.00 0.00 C ATOM 712 O TYR A 46 6.980 0.688 0.723 1.00 0.00 O ATOM 713 CB TYR A 46 7.570 0.849 -2.541 1.00 0.00 C ATOM 714 CG TYR A 46 8.553 1.241 -3.626 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.934 1.129 -3.411 1.00 0.00 C ATOM 716 CD2 TYR A 46 8.077 1.698 -4.860 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.833 1.475 -4.424 1.00 0.00 C ATOM 718 CE2 TYR A 46 8.978 2.048 -5.874 1.00 0.00 C ATOM 719 CZ TYR A 46 10.355 1.937 -5.656 1.00 0.00 C ATOM 720 OH TYR A 46 11.243 2.279 -6.656 1.00 0.00 O ATOM 0 H TYR A 46 9.292 0.467 -0.564 1.00 0.00 H new ATOM 0 HA TYR A 46 7.608 2.791 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.721 -0.196 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.552 0.936 -2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.304 0.775 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.014 1.781 -5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.896 1.386 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.609 2.404 -6.825 1.00 0.00 H new ATOM 0 HH TYR A 46 10.746 2.579 -7.446 1.00 0.00 H new ATOM 730 N THR A 47 5.464 1.770 -0.454 1.00 0.00 N ATOM 731 CA THR A 47 4.382 1.425 0.515 1.00 0.00 C ATOM 732 C THR A 47 3.136 0.996 -0.256 1.00 0.00 C ATOM 733 O THR A 47 2.700 1.676 -1.164 1.00 0.00 O ATOM 734 CB THR A 47 4.111 2.706 1.310 1.00 0.00 C ATOM 735 OG1 THR A 47 5.285 3.075 2.022 1.00 0.00 O ATOM 736 CG2 THR A 47 2.964 2.468 2.301 1.00 0.00 C ATOM 0 H THR A 47 5.166 2.332 -1.251 1.00 0.00 H new ATOM 0 HA THR A 47 4.662 0.605 1.177 1.00 0.00 H new ATOM 0 HB THR A 47 3.832 3.506 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.073 3.797 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.775 3.382 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.064 2.185 1.755 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.237 1.668 2.989 1.00 0.00 H new ATOM 744 N VAL A 48 2.564 -0.127 0.092 1.00 0.00 N ATOM 745 CA VAL A 48 1.348 -0.600 -0.634 1.00 0.00 C ATOM 746 C VAL A 48 0.090 -0.308 0.187 1.00 0.00 C ATOM 747 O VAL A 48 -0.127 -0.885 1.233 1.00 0.00 O ATOM 748 CB VAL A 48 1.548 -2.107 -0.801 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.334 -2.712 -1.508 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.802 -2.363 -1.641 1.00 0.00 C ATOM 0 H VAL A 48 2.885 -0.735 0.845 1.00 0.00 H new ATOM 0 HA VAL A 48 1.219 -0.098 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 48 1.663 -2.567 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.479 -3.786 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.561 -2.530 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.218 -2.252 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.946 -3.437 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.684 -1.901 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.670 -1.934 -1.140 1.00 0.00 H new ATOM 760 N SER A 49 -0.739 0.585 -0.281 1.00 0.00 N ATOM 761 CA SER A 49 -1.983 0.923 0.470 1.00 0.00 C ATOM 762 C SER A 49 -3.177 0.152 -0.097 1.00 0.00 C ATOM 763 O SER A 49 -3.597 0.380 -1.215 1.00 0.00 O ATOM 764 CB SER A 49 -2.169 2.422 0.251 1.00 0.00 C ATOM 765 OG SER A 49 -1.475 3.134 1.266 1.00 0.00 O ATOM 0 H SER A 49 -0.608 1.097 -1.154 1.00 0.00 H new ATOM 0 HA SER A 49 -1.912 0.662 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.793 2.707 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.229 2.676 0.272 1.00 0.00 H new ATOM 0 HG SER A 49 -2.086 3.323 2.009 1.00 0.00 H new ATOM 771 N VAL A 50 -3.734 -0.757 0.664 1.00 0.00 N ATOM 772 CA VAL A 50 -4.905 -1.530 0.150 1.00 0.00 C ATOM 773 C VAL A 50 -6.065 -1.476 1.151 1.00 0.00 C ATOM 774 O VAL A 50 -5.857 -1.497 2.349 1.00 0.00 O ATOM 775 CB VAL A 50 -4.405 -2.968 -0.009 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.317 -3.019 -1.081 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.833 -3.468 1.321 1.00 0.00 C ATOM 0 H VAL A 50 -3.432 -0.995 1.609 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.277 -1.123 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.238 -3.605 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.963 -4.044 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.725 -2.671 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.486 -2.378 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.478 -4.492 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.003 -2.829 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.610 -3.439 2.085 1.00 0.00 H new ATOM 787 N PHE A 51 -7.289 -1.402 0.681 1.00 0.00 N ATOM 788 CA PHE A 51 -8.438 -1.348 1.640 1.00 0.00 C ATOM 789 C PHE A 51 -9.604 -2.215 1.151 1.00 0.00 C ATOM 790 O PHE A 51 -9.622 -2.657 0.025 1.00 0.00 O ATOM 791 CB PHE A 51 -8.840 0.136 1.692 1.00 0.00 C ATOM 792 CG PHE A 51 -10.293 0.309 1.294 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.662 0.209 -0.051 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.265 0.567 2.269 1.00 0.00 C ATOM 795 CE1 PHE A 51 -12.002 0.363 -0.421 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.605 0.721 1.897 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.973 0.619 0.551 1.00 0.00 C ATOM 0 H PHE A 51 -7.539 -1.377 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.168 -1.734 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.684 0.526 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.203 0.715 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.913 0.013 -0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.980 0.647 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.287 0.284 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.355 0.919 2.649 1.00 0.00 H new ATOM 0 HZ PHE A 51 -14.007 0.738 0.263 1.00 0.00 H new ATOM 807 N ALA A 52 -10.590 -2.433 1.992 1.00 0.00 N ATOM 808 CA ALA A 52 -11.770 -3.247 1.568 1.00 0.00 C ATOM 809 C ALA A 52 -12.959 -3.037 2.509 1.00 0.00 C ATOM 810 O ALA A 52 -12.828 -2.499 3.585 1.00 0.00 O ATOM 811 CB ALA A 52 -11.320 -4.704 1.625 1.00 0.00 C ATOM 0 H ALA A 52 -10.626 -2.083 2.949 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.098 -2.956 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.144 -5.351 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.478 -4.851 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.017 -4.952 2.642 1.00 0.00 H new ATOM 817 N LYS A 53 -14.122 -3.470 2.100 1.00 0.00 N ATOM 818 CA LYS A 53 -15.335 -3.314 2.953 1.00 0.00 C ATOM 819 C LYS A 53 -15.874 -4.695 3.355 1.00 0.00 C ATOM 820 O LYS A 53 -17.036 -4.994 3.161 1.00 0.00 O ATOM 821 CB LYS A 53 -16.336 -2.592 2.056 1.00 0.00 C ATOM 822 CG LYS A 53 -16.016 -1.097 2.038 1.00 0.00 C ATOM 823 CD LYS A 53 -17.316 -0.298 1.951 1.00 0.00 C ATOM 824 CE LYS A 53 -17.039 1.164 2.301 1.00 0.00 C ATOM 825 NZ LYS A 53 -18.265 1.632 3.005 1.00 0.00 N ATOM 0 H LYS A 53 -14.284 -3.929 1.204 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.136 -2.769 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.293 -2.997 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.350 -2.754 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.467 -0.821 2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.375 -0.862 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.733 -0.370 0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.057 -0.713 2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.159 1.257 2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.849 1.755 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.378 2.656 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -19.095 1.135 2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.179 1.432 4.022 1.00 0.00 H new ATOM 839 N SER A 54 -15.038 -5.542 3.903 1.00 0.00 N ATOM 840 CA SER A 54 -15.507 -6.904 4.308 1.00 0.00 C ATOM 841 C SER A 54 -14.407 -7.641 5.084 1.00 0.00 C ATOM 842 O SER A 54 -13.850 -8.613 4.618 1.00 0.00 O ATOM 843 CB SER A 54 -15.809 -7.629 2.995 1.00 0.00 C ATOM 844 OG SER A 54 -16.814 -8.607 3.220 1.00 0.00 O ATOM 0 H SER A 54 -14.053 -5.350 4.087 1.00 0.00 H new ATOM 0 HA SER A 54 -16.379 -6.858 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.141 -6.916 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.905 -8.101 2.611 1.00 0.00 H new ATOM 0 HG SER A 54 -17.011 -9.073 2.380 1.00 0.00 H new ATOM 850 N THR A 55 -14.100 -7.177 6.270 1.00 0.00 N ATOM 851 CA THR A 55 -13.039 -7.825 7.112 1.00 0.00 C ATOM 852 C THR A 55 -12.764 -6.923 8.317 1.00 0.00 C ATOM 853 O THR A 55 -12.148 -5.883 8.189 1.00 0.00 O ATOM 854 CB THR A 55 -11.801 -7.944 6.208 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.760 -9.245 5.640 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.514 -7.705 7.008 1.00 0.00 C ATOM 0 H THR A 55 -14.544 -6.365 6.699 1.00 0.00 H new ATOM 0 HA THR A 55 -13.328 -8.806 7.488 1.00 0.00 H new ATOM 0 HB THR A 55 -11.870 -7.190 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.569 -9.395 5.107 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.652 -7.795 6.346 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.536 -6.705 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.438 -8.445 7.805 1.00 0.00 H new ATOM 864 N GLY A 56 -13.240 -7.286 9.478 1.00 0.00 N ATOM 865 CA GLY A 56 -13.031 -6.414 10.664 1.00 0.00 C ATOM 866 C GLY A 56 -13.936 -5.193 10.497 1.00 0.00 C ATOM 867 O GLY A 56 -14.862 -4.980 11.255 1.00 0.00 O ATOM 0 H GLY A 56 -13.762 -8.145 9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.274 -6.949 11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.987 -6.111 10.739 1.00 0.00 H new ATOM 871 N ASP A 57 -13.690 -4.415 9.478 1.00 0.00 N ATOM 872 CA ASP A 57 -14.540 -3.232 9.201 1.00 0.00 C ATOM 873 C ASP A 57 -15.324 -3.498 7.904 1.00 0.00 C ATOM 874 O ASP A 57 -14.949 -3.034 6.849 1.00 0.00 O ATOM 875 CB ASP A 57 -13.559 -2.082 9.009 1.00 0.00 C ATOM 876 CG ASP A 57 -14.123 -0.812 9.648 1.00 0.00 C ATOM 877 OD1 ASP A 57 -15.240 -0.449 9.312 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.431 -0.223 10.461 1.00 0.00 O ATOM 0 H ASP A 57 -12.924 -4.555 8.819 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.256 -3.013 9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.598 -2.332 9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.380 -1.918 7.946 1.00 0.00 H new ATOM 883 N PRO A 58 -16.384 -4.258 8.020 1.00 0.00 N ATOM 884 CA PRO A 58 -17.211 -4.616 6.839 1.00 0.00 C ATOM 885 C PRO A 58 -17.581 -3.397 5.998 1.00 0.00 C ATOM 886 O PRO A 58 -17.946 -3.519 4.845 1.00 0.00 O ATOM 887 CB PRO A 58 -18.448 -5.235 7.485 1.00 0.00 C ATOM 888 CG PRO A 58 -18.258 -5.245 9.013 1.00 0.00 C ATOM 889 CD PRO A 58 -16.833 -4.786 9.329 1.00 0.00 C ATOM 0 HA PRO A 58 -16.694 -5.277 6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.338 -4.665 7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.598 -6.250 7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.983 -4.585 9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.430 -6.246 9.409 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.813 -4.022 10.106 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.206 -5.608 9.674 1.00 0.00 H new ATOM 897 N GLN A 59 -17.513 -2.234 6.560 1.00 0.00 N ATOM 898 CA GLN A 59 -17.886 -1.018 5.781 1.00 0.00 C ATOM 899 C GLN A 59 -16.665 -0.148 5.472 1.00 0.00 C ATOM 900 O GLN A 59 -16.809 0.981 5.047 1.00 0.00 O ATOM 901 CB GLN A 59 -18.871 -0.259 6.670 1.00 0.00 C ATOM 902 CG GLN A 59 -18.297 -0.148 8.084 1.00 0.00 C ATOM 903 CD GLN A 59 -18.830 1.117 8.761 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.832 1.668 8.348 1.00 0.00 O ATOM 905 NE2 GLN A 59 -18.199 1.604 9.795 1.00 0.00 N ATOM 0 H GLN A 59 -17.217 -2.064 7.521 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.317 -1.285 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.056 0.735 6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.830 -0.777 6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.571 -1.027 8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.208 -0.119 8.043 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -17.358 1.143 10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.547 2.445 10.255 1.00 0.00 H new ATOM 914 N GLY A 60 -15.468 -0.644 5.661 1.00 0.00 N ATOM 915 CA GLY A 60 -14.284 0.198 5.346 1.00 0.00 C ATOM 916 C GLY A 60 -13.020 -0.330 6.031 1.00 0.00 C ATOM 917 O GLY A 60 -12.806 -0.116 7.208 1.00 0.00 O ATOM 0 H GLY A 60 -15.265 -1.579 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.131 0.223 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.470 1.223 5.665 1.00 0.00 H new ATOM 921 N VAL A 61 -12.168 -0.992 5.292 1.00 0.00 N ATOM 922 CA VAL A 61 -10.900 -1.517 5.883 1.00 0.00 C ATOM 923 C VAL A 61 -9.711 -1.037 5.076 1.00 0.00 C ATOM 924 O VAL A 61 -9.754 -0.982 3.873 1.00 0.00 O ATOM 925 CB VAL A 61 -10.991 -3.040 5.790 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.686 -3.670 6.289 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.158 -3.533 6.632 1.00 0.00 C ATOM 0 H VAL A 61 -12.296 -1.193 4.300 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.772 -1.176 6.910 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.150 -3.329 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.757 -4.756 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.856 -3.321 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.517 -3.382 7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.222 -4.619 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.005 -3.242 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.084 -3.092 6.264 1.00 0.00 H new ATOM 937 N ILE A 62 -8.659 -0.676 5.741 1.00 0.00 N ATOM 938 CA ILE A 62 -7.454 -0.170 5.023 1.00 0.00 C ATOM 939 C ILE A 62 -6.169 -0.643 5.705 1.00 0.00 C ATOM 940 O ILE A 62 -6.164 -1.019 6.861 1.00 0.00 O ATOM 941 CB ILE A 62 -7.564 1.355 5.099 1.00 0.00 C ATOM 942 CG1 ILE A 62 -9.023 1.737 5.401 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.119 1.958 3.762 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.205 3.244 5.361 1.00 0.00 C ATOM 0 H ILE A 62 -8.576 -0.708 6.757 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.412 -0.535 3.997 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.924 1.742 5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.685 1.267 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.307 1.358 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.195 3.044 3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.086 1.675 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.759 1.584 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.244 3.491 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.559 3.708 6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.942 3.616 4.371 1.00 0.00 H new ATOM 956 N ARG A 63 -5.078 -0.616 4.988 1.00 0.00 N ATOM 957 CA ARG A 63 -3.775 -1.051 5.569 1.00 0.00 C ATOM 958 C ARG A 63 -2.652 -0.765 4.570 1.00 0.00 C ATOM 959 O ARG A 63 -2.664 -1.254 3.455 1.00 0.00 O ATOM 960 CB ARG A 63 -3.921 -2.558 5.799 1.00 0.00 C ATOM 961 CG ARG A 63 -3.339 -2.927 7.166 1.00 0.00 C ATOM 962 CD ARG A 63 -4.152 -4.071 7.776 1.00 0.00 C ATOM 963 NE ARG A 63 -3.978 -5.212 6.835 1.00 0.00 N ATOM 964 CZ ARG A 63 -4.051 -6.439 7.276 1.00 0.00 C ATOM 965 NH1 ARG A 63 -2.988 -7.027 7.754 1.00 0.00 N ATOM 966 NH2 ARG A 63 -5.188 -7.079 7.239 1.00 0.00 N ATOM 0 H ARG A 63 -5.033 -0.309 4.016 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.532 -0.527 6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.972 -2.843 5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.405 -3.108 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.296 -3.224 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.358 -2.061 7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.792 -4.323 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.203 -3.799 7.876 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.802 -5.035 5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.099 -6.528 7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.047 -7.985 8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.019 -6.621 6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.245 -8.037 7.583 1.00 0.00 H new ATOM 980 N HIS A 64 -1.686 0.030 4.950 1.00 0.00 N ATOM 981 CA HIS A 64 -0.574 0.344 4.004 1.00 0.00 C ATOM 982 C HIS A 64 0.636 -0.537 4.295 1.00 0.00 C ATOM 983 O HIS A 64 1.366 -0.315 5.242 1.00 0.00 O ATOM 984 CB HIS A 64 -0.212 1.818 4.227 1.00 0.00 C ATOM 985 CG HIS A 64 -1.457 2.623 4.488 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.572 2.546 3.668 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.779 3.518 5.476 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.504 3.372 4.174 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.071 3.992 5.277 1.00 0.00 N ATOM 0 H HIS A 64 -1.618 0.472 5.867 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.877 0.160 2.973 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.472 1.909 5.070 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.307 2.209 3.352 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.668 1.968 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.128 3.810 6.286 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.483 3.517 3.742 1.00 0.00 H new ATOM 997 N TYR A 65 0.866 -1.519 3.474 1.00 0.00 N ATOM 998 CA TYR A 65 2.044 -2.400 3.683 1.00 0.00 C ATOM 999 C TYR A 65 3.279 -1.693 3.151 1.00 0.00 C ATOM 1000 O TYR A 65 3.332 -1.307 2.004 1.00 0.00 O ATOM 1001 CB TYR A 65 1.778 -3.652 2.858 1.00 0.00 C ATOM 1002 CG TYR A 65 0.377 -4.171 3.114 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.176 -4.111 4.402 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.366 -4.724 2.063 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.465 -4.600 4.634 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.654 -5.216 2.298 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.204 -5.154 3.583 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.475 -5.640 3.814 1.00 0.00 O ATOM 0 H TYR A 65 0.288 -1.750 2.666 1.00 0.00 H new ATOM 0 HA TYR A 65 2.201 -2.640 4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.901 -3.429 1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.508 -4.421 3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.395 -3.687 5.215 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.056 -4.770 1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.891 -4.550 5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.224 -5.644 1.487 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.849 -5.989 2.978 1.00 0.00 H new ATOM 1018 N VAL A 66 4.266 -1.516 3.964 1.00 0.00 N ATOM 1019 CA VAL A 66 5.489 -0.819 3.485 1.00 0.00 C ATOM 1020 C VAL A 66 6.653 -1.798 3.411 1.00 0.00 C ATOM 1021 O VAL A 66 6.577 -2.906 3.905 1.00 0.00 O ATOM 1022 CB VAL A 66 5.771 0.273 4.518 1.00 0.00 C ATOM 1023 CG1 VAL A 66 6.987 1.091 4.074 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.554 1.198 4.637 1.00 0.00 C ATOM 0 H VAL A 66 4.286 -1.820 4.937 1.00 0.00 H new ATOM 0 HA VAL A 66 5.356 -0.401 2.487 1.00 0.00 H new ATOM 0 HB VAL A 66 5.971 -0.188 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.190 1.870 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.855 0.437 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.783 1.549 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.758 1.975 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.351 1.659 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.686 0.619 4.952 1.00 0.00 H new ATOM 1034 N VAL A 67 7.728 -1.401 2.798 1.00 0.00 N ATOM 1035 CA VAL A 67 8.893 -2.315 2.699 1.00 0.00 C ATOM 1036 C VAL A 67 10.121 -1.685 3.355 1.00 0.00 C ATOM 1037 O VAL A 67 10.509 -0.579 3.040 1.00 0.00 O ATOM 1038 CB VAL A 67 9.119 -2.507 1.203 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.384 -3.340 0.989 1.00 0.00 C ATOM 1040 CG2 VAL A 67 7.910 -3.226 0.597 1.00 0.00 C ATOM 0 H VAL A 67 7.850 -0.487 2.363 1.00 0.00 H new ATOM 0 HA VAL A 67 8.718 -3.263 3.208 1.00 0.00 H new ATOM 0 HB VAL A 67 9.240 -1.539 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.551 -3.481 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.239 -2.822 1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.265 -4.312 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.068 -3.365 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.787 -4.198 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.013 -2.627 0.757 1.00 0.00 H new ATOM 1050 N CYS A 68 10.737 -2.393 4.256 1.00 0.00 N ATOM 1051 CA CYS A 68 11.947 -1.858 4.929 1.00 0.00 C ATOM 1052 C CYS A 68 13.181 -2.213 4.102 1.00 0.00 C ATOM 1053 O CYS A 68 13.137 -3.085 3.258 1.00 0.00 O ATOM 1054 CB CYS A 68 11.983 -2.550 6.292 1.00 0.00 C ATOM 1055 SG CYS A 68 13.349 -1.880 7.274 1.00 0.00 S ATOM 0 H CYS A 68 10.452 -3.325 4.556 1.00 0.00 H new ATOM 0 HA CYS A 68 11.930 -0.773 5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.038 -2.399 6.814 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.107 -3.625 6.163 1.00 0.00 H new ATOM 0 HG CYS A 68 13.379 -2.467 8.434 1.00 0.00 H new ATOM 1061 N SER A 69 14.274 -1.536 4.318 1.00 0.00 N ATOM 1062 CA SER A 69 15.495 -1.830 3.524 1.00 0.00 C ATOM 1063 C SER A 69 16.720 -1.983 4.426 1.00 0.00 C ATOM 1064 O SER A 69 16.931 -1.217 5.345 1.00 0.00 O ATOM 1065 CB SER A 69 15.660 -0.614 2.621 1.00 0.00 C ATOM 1066 OG SER A 69 14.559 -0.538 1.727 1.00 0.00 O ATOM 0 H SER A 69 14.373 -0.793 5.010 1.00 0.00 H new ATOM 0 HA SER A 69 15.404 -2.764 2.970 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.718 0.294 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.593 -0.686 2.062 1.00 0.00 H new ATOM 0 HG SER A 69 14.870 -0.694 0.811 1.00 0.00 H new ATOM 1072 N THR A 70 17.541 -2.958 4.148 1.00 0.00 N ATOM 1073 CA THR A 70 18.775 -3.161 4.958 1.00 0.00 C ATOM 1074 C THR A 70 19.987 -2.712 4.124 1.00 0.00 C ATOM 1075 O THR A 70 19.912 -2.692 2.911 1.00 0.00 O ATOM 1076 CB THR A 70 18.811 -4.664 5.267 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.861 -4.941 6.183 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.030 -5.463 3.983 1.00 0.00 C ATOM 0 H THR A 70 17.409 -3.627 3.389 1.00 0.00 H new ATOM 0 HA THR A 70 18.793 -2.585 5.883 1.00 0.00 H new ATOM 0 HB THR A 70 17.857 -4.954 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.879 -5.901 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.054 -6.527 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.216 -5.262 3.286 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.977 -5.170 3.529 1.00 0.00 H new ATOM 1086 N PRO A 71 21.057 -2.333 4.782 1.00 0.00 N ATOM 1087 CA PRO A 71 22.260 -1.848 4.059 1.00 0.00 C ATOM 1088 C PRO A 71 22.890 -2.912 3.152 1.00 0.00 C ATOM 1089 O PRO A 71 23.878 -2.651 2.494 1.00 0.00 O ATOM 1090 CB PRO A 71 23.206 -1.456 5.198 1.00 0.00 C ATOM 1091 CG PRO A 71 22.504 -1.731 6.542 1.00 0.00 C ATOM 1092 CD PRO A 71 21.130 -2.355 6.264 1.00 0.00 C ATOM 0 HA PRO A 71 22.027 -1.031 3.376 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.133 -2.026 5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.474 -0.402 5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.107 -2.403 7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.391 -0.805 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.058 -3.369 6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.324 -1.779 6.718 1.00 0.00 H new ATOM 1100 N GLN A 72 22.334 -4.088 3.080 1.00 0.00 N ATOM 1101 CA GLN A 72 22.920 -5.115 2.178 1.00 0.00 C ATOM 1102 C GLN A 72 22.199 -5.063 0.823 1.00 0.00 C ATOM 1103 O GLN A 72 22.158 -6.027 0.087 1.00 0.00 O ATOM 1104 CB GLN A 72 22.680 -6.447 2.898 1.00 0.00 C ATOM 1105 CG GLN A 72 23.189 -7.619 2.051 1.00 0.00 C ATOM 1106 CD GLN A 72 24.657 -7.394 1.677 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.544 -7.631 2.473 1.00 0.00 O ATOM 1108 NE2 GLN A 72 24.952 -6.940 0.489 1.00 0.00 N ATOM 0 H GLN A 72 21.507 -4.380 3.601 1.00 0.00 H new ATOM 0 HA GLN A 72 23.981 -4.965 1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.187 -6.441 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.616 -6.571 3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.085 -8.552 2.605 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.586 -7.716 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.208 -6.741 -0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.926 -6.785 0.230 1.00 0.00 H new ATOM 1117 N SER A 73 21.619 -3.929 0.493 1.00 0.00 N ATOM 1118 CA SER A 73 20.883 -3.799 -0.802 1.00 0.00 C ATOM 1119 C SER A 73 19.721 -4.788 -0.816 1.00 0.00 C ATOM 1120 O SER A 73 19.538 -5.537 -1.755 1.00 0.00 O ATOM 1121 CB SER A 73 21.901 -4.141 -1.892 1.00 0.00 C ATOM 1122 OG SER A 73 21.675 -3.309 -3.023 1.00 0.00 O ATOM 0 H SER A 73 21.626 -3.088 1.069 1.00 0.00 H new ATOM 0 HA SER A 73 20.471 -2.801 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.914 -3.998 -1.517 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.811 -5.190 -2.174 1.00 0.00 H new ATOM 0 HG SER A 73 22.326 -3.524 -3.723 1.00 0.00 H new ATOM 1128 N GLN A 74 18.949 -4.812 0.239 1.00 0.00 N ATOM 1129 CA GLN A 74 17.812 -5.775 0.314 1.00 0.00 C ATOM 1130 C GLN A 74 16.552 -5.080 0.845 1.00 0.00 C ATOM 1131 O GLN A 74 16.600 -3.951 1.294 1.00 0.00 O ATOM 1132 CB GLN A 74 18.281 -6.864 1.284 1.00 0.00 C ATOM 1133 CG GLN A 74 19.813 -6.912 1.316 1.00 0.00 C ATOM 1134 CD GLN A 74 20.277 -8.262 1.870 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.368 -8.430 3.162 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 20.559 -9.174 1.119 1.00 0.00 N flip ATOM 0 H GLN A 74 19.057 -4.206 1.052 1.00 0.00 H new ATOM 0 HA GLN A 74 17.552 -6.183 -0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.894 -6.664 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.885 -7.832 0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.212 -6.764 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.199 -6.102 1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.488 -9.044 0.110 1.00 0.00 H new ATOM 0 HE22 GLN A 74 20.866 -10.070 1.498 1.00 0.00 H new ATOM 1145 N TYR A 75 15.419 -5.737 0.774 1.00 0.00 N ATOM 1146 CA TYR A 75 14.147 -5.091 1.254 1.00 0.00 C ATOM 1147 C TYR A 75 13.188 -6.114 1.872 1.00 0.00 C ATOM 1148 O TYR A 75 13.271 -7.291 1.607 1.00 0.00 O ATOM 1149 CB TYR A 75 13.504 -4.484 0.005 1.00 0.00 C ATOM 1150 CG TYR A 75 14.506 -3.624 -0.721 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.450 -4.214 -1.564 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.498 -2.240 -0.539 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.389 -3.423 -2.226 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.434 -1.444 -1.203 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.383 -2.035 -2.048 1.00 0.00 C ATOM 1156 OH TYR A 75 17.311 -1.249 -2.700 1.00 0.00 O ATOM 0 H TYR A 75 15.316 -6.684 0.409 1.00 0.00 H new ATOM 0 HA TYR A 75 14.359 -4.352 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.148 -5.277 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.636 -3.888 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.453 -5.285 -1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.769 -1.785 0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.120 -3.881 -2.875 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.426 -0.373 -1.065 1.00 0.00 H new ATOM 0 HH TYR A 75 17.165 -0.309 -2.466 1.00 0.00 H new ATOM 1166 N TYR A 76 12.257 -5.652 2.674 1.00 0.00 N ATOM 1167 CA TYR A 76 11.256 -6.568 3.316 1.00 0.00 C ATOM 1168 C TYR A 76 10.322 -5.775 4.237 1.00 0.00 C ATOM 1169 O TYR A 76 10.667 -4.719 4.721 1.00 0.00 O ATOM 1170 CB TYR A 76 12.071 -7.565 4.166 1.00 0.00 C ATOM 1171 CG TYR A 76 12.862 -6.826 5.226 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.233 -6.430 6.412 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.221 -6.555 5.035 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.957 -5.764 7.404 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.948 -5.891 6.030 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.317 -5.495 7.214 1.00 0.00 C ATOM 1177 OH TYR A 76 15.034 -4.838 8.194 1.00 0.00 O ATOM 0 H TYR A 76 12.146 -4.667 2.915 1.00 0.00 H new ATOM 0 HA TYR A 76 10.647 -7.069 2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.401 -8.284 4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.748 -8.131 3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.184 -6.640 6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.709 -6.858 4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.468 -5.457 8.317 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.998 -5.684 5.883 1.00 0.00 H new ATOM 0 HH TYR A 76 14.779 -3.892 8.207 1.00 0.00 H new ATOM 1187 N LEU A 77 9.171 -6.313 4.537 1.00 0.00 N ATOM 1188 CA LEU A 77 8.243 -5.625 5.485 1.00 0.00 C ATOM 1189 C LEU A 77 8.449 -6.292 6.848 1.00 0.00 C ATOM 1190 O LEU A 77 8.002 -5.830 7.879 1.00 0.00 O ATOM 1191 CB LEU A 77 6.833 -5.883 4.939 1.00 0.00 C ATOM 1192 CG LEU A 77 5.776 -5.482 5.978 1.00 0.00 C ATOM 1193 CD1 LEU A 77 5.855 -3.979 6.255 1.00 0.00 C ATOM 1194 CD2 LEU A 77 4.382 -5.821 5.441 1.00 0.00 C ATOM 0 H LEU A 77 8.831 -7.201 4.167 1.00 0.00 H new ATOM 0 HA LEU A 77 8.408 -4.552 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.682 -5.316 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.721 -6.937 4.685 1.00 0.00 H new ATOM 0 HG LEU A 77 5.962 -6.028 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.101 -3.705 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.845 -3.731 6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.675 -3.429 5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.630 -5.537 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.207 -5.275 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.316 -6.892 5.250 1.00 0.00 H new ATOM 1206 N ALA A 78 9.190 -7.367 6.825 1.00 0.00 N ATOM 1207 CA ALA A 78 9.551 -8.120 8.046 1.00 0.00 C ATOM 1208 C ALA A 78 10.898 -8.783 7.757 1.00 0.00 C ATOM 1209 O ALA A 78 11.039 -9.503 6.787 1.00 0.00 O ATOM 1210 CB ALA A 78 8.447 -9.163 8.234 1.00 0.00 C ATOM 0 H ALA A 78 9.573 -7.765 5.967 1.00 0.00 H new ATOM 0 HA ALA A 78 9.636 -7.509 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.655 -9.756 9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.487 -8.660 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.412 -9.817 7.362 1.00 0.00 H new ATOM 1216 N GLU A 79 11.900 -8.522 8.554 1.00 0.00 N ATOM 1217 CA GLU A 79 13.248 -9.117 8.284 1.00 0.00 C ATOM 1218 C GLU A 79 13.152 -10.623 8.034 1.00 0.00 C ATOM 1219 O GLU A 79 14.062 -11.229 7.505 1.00 0.00 O ATOM 1220 CB GLU A 79 14.071 -8.830 9.538 1.00 0.00 C ATOM 1221 CG GLU A 79 14.776 -7.485 9.379 1.00 0.00 C ATOM 1222 CD GLU A 79 15.812 -7.314 10.491 1.00 0.00 C ATOM 1223 OE1 GLU A 79 15.504 -7.660 11.620 1.00 0.00 O ATOM 1224 OE2 GLU A 79 16.897 -6.839 10.195 1.00 0.00 O ATOM 0 H GLU A 79 11.847 -7.925 9.379 1.00 0.00 H new ATOM 0 HA GLU A 79 13.701 -8.690 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.425 -8.814 10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.803 -9.622 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.261 -7.430 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.048 -6.675 9.419 1.00 0.00 H new ATOM 1231 N LYS A 80 12.051 -11.224 8.400 1.00 0.00 N ATOM 1232 CA LYS A 80 11.872 -12.694 8.173 1.00 0.00 C ATOM 1233 C LYS A 80 12.394 -13.083 6.785 1.00 0.00 C ATOM 1234 O LYS A 80 12.990 -14.127 6.601 1.00 0.00 O ATOM 1235 CB LYS A 80 10.361 -12.919 8.249 1.00 0.00 C ATOM 1236 CG LYS A 80 10.036 -13.850 9.419 1.00 0.00 C ATOM 1237 CD LYS A 80 8.760 -14.636 9.108 1.00 0.00 C ATOM 1238 CE LYS A 80 8.839 -16.017 9.762 1.00 0.00 C ATOM 1239 NZ LYS A 80 7.538 -16.668 9.443 1.00 0.00 N ATOM 0 H LYS A 80 11.262 -10.760 8.849 1.00 0.00 H new ATOM 0 HA LYS A 80 12.418 -13.294 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.848 -11.966 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.001 -13.352 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.865 -14.536 9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.905 -13.271 10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.888 -14.096 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.637 -14.739 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.676 -16.593 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.987 -15.936 10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.516 -17.621 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.760 -16.101 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.428 -16.737 8.411 1.00 0.00 H new ATOM 1253 N HIS A 81 12.182 -12.238 5.814 1.00 0.00 N ATOM 1254 CA HIS A 81 12.669 -12.531 4.436 1.00 0.00 C ATOM 1255 C HIS A 81 12.792 -11.222 3.664 1.00 0.00 C ATOM 1256 O HIS A 81 12.008 -10.312 3.847 1.00 0.00 O ATOM 1257 CB HIS A 81 11.605 -13.428 3.809 1.00 0.00 C ATOM 1258 CG HIS A 81 11.922 -14.866 4.109 1.00 0.00 C ATOM 1259 ND1 HIS A 81 13.114 -15.534 4.245 1.00 0.00 N flip ATOM 1260 CD2 HIS A 81 10.932 -15.817 4.310 1.00 0.00 C flip ATOM 1261 CE1 HIS A 81 12.871 -16.876 4.525 1.00 0.00 C flip ATOM 1262 NE2 HIS A 81 11.541 -16.992 4.552 1.00 0.00 N flip ATOM 0 H HIS A 81 11.689 -11.351 5.917 1.00 0.00 H new ATOM 0 HA HIS A 81 13.646 -13.015 4.428 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.621 -13.172 4.201 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.570 -13.269 2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.866 -15.645 4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.601 -17.655 4.686 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.047 -17.865 4.734 1.00 0.00 H new ATOM 1270 N LEU A 82 13.774 -11.106 2.815 1.00 0.00 N ATOM 1271 CA LEU A 82 13.938 -9.841 2.060 1.00 0.00 C ATOM 1272 C LEU A 82 14.572 -10.110 0.692 1.00 0.00 C ATOM 1273 O LEU A 82 15.384 -11.001 0.537 1.00 0.00 O ATOM 1274 CB LEU A 82 14.849 -8.984 2.949 1.00 0.00 C ATOM 1275 CG LEU A 82 16.242 -9.598 3.031 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.214 -8.563 3.599 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.224 -10.826 3.948 1.00 0.00 C ATOM 0 H LEU A 82 14.464 -11.829 2.614 1.00 0.00 H new ATOM 0 HA LEU A 82 12.990 -9.344 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.913 -7.973 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.421 -8.903 3.948 1.00 0.00 H new ATOM 0 HG LEU A 82 16.558 -9.901 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.212 -8.996 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.237 -7.689 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.887 -8.264 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.224 -11.257 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.905 -10.529 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.530 -11.567 3.551 1.00 0.00 H new ATOM 1289 N PHE A 83 14.204 -9.343 -0.298 1.00 0.00 N ATOM 1290 CA PHE A 83 14.782 -9.547 -1.656 1.00 0.00 C ATOM 1291 C PHE A 83 15.602 -8.314 -2.058 1.00 0.00 C ATOM 1292 O PHE A 83 16.264 -7.726 -1.228 1.00 0.00 O ATOM 1293 CB PHE A 83 13.570 -9.772 -2.563 1.00 0.00 C ATOM 1294 CG PHE A 83 13.086 -11.191 -2.372 1.00 0.00 C ATOM 1295 CD1 PHE A 83 13.880 -12.262 -2.804 1.00 0.00 C ATOM 1296 CD2 PHE A 83 11.852 -11.440 -1.759 1.00 0.00 C ATOM 1297 CE1 PHE A 83 13.438 -13.578 -2.626 1.00 0.00 C ATOM 1298 CE2 PHE A 83 11.411 -12.757 -1.582 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.204 -13.826 -2.015 1.00 0.00 C ATOM 0 H PHE A 83 13.527 -8.583 -0.224 1.00 0.00 H new ATOM 0 HA PHE A 83 15.469 -10.391 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.777 -9.065 -2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.840 -9.601 -3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.833 -12.072 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.240 -10.616 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 83 14.050 -14.403 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.458 -12.948 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.864 -14.842 -1.878 1.00 0.00 H new ATOM 1309 N SER A 84 15.594 -7.919 -3.307 1.00 0.00 N ATOM 1310 CA SER A 84 16.414 -6.732 -3.699 1.00 0.00 C ATOM 1311 C SER A 84 15.535 -5.561 -4.166 1.00 0.00 C ATOM 1312 O SER A 84 16.036 -4.551 -4.618 1.00 0.00 O ATOM 1313 CB SER A 84 17.295 -7.226 -4.845 1.00 0.00 C ATOM 1314 OG SER A 84 17.971 -6.120 -5.428 1.00 0.00 O ATOM 0 H SER A 84 15.065 -8.358 -4.060 1.00 0.00 H new ATOM 0 HA SER A 84 16.993 -6.354 -2.856 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.017 -7.955 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.687 -7.732 -5.595 1.00 0.00 H new ATOM 0 HG SER A 84 17.621 -5.286 -5.050 1.00 0.00 H new ATOM 1320 N THR A 85 14.235 -5.675 -4.055 1.00 0.00 N ATOM 1321 CA THR A 85 13.342 -4.549 -4.483 1.00 0.00 C ATOM 1322 C THR A 85 11.914 -4.793 -3.987 1.00 0.00 C ATOM 1323 O THR A 85 11.565 -5.894 -3.609 1.00 0.00 O ATOM 1324 CB THR A 85 13.358 -4.545 -6.018 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.632 -4.944 -6.501 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.040 -3.137 -6.523 1.00 0.00 C ATOM 0 H THR A 85 13.753 -6.495 -3.688 1.00 0.00 H new ATOM 0 HA THR A 85 13.684 -3.598 -4.074 1.00 0.00 H new ATOM 0 HB THR A 85 12.609 -5.248 -6.382 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.320 -4.347 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.051 -3.130 -7.613 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.054 -2.837 -6.168 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.788 -2.439 -6.149 1.00 0.00 H new ATOM 1334 N ILE A 86 11.083 -3.781 -3.990 1.00 0.00 N ATOM 1335 CA ILE A 86 9.679 -3.982 -3.521 1.00 0.00 C ATOM 1336 C ILE A 86 8.879 -4.809 -4.546 1.00 0.00 C ATOM 1337 O ILE A 86 8.332 -5.834 -4.192 1.00 0.00 O ATOM 1338 CB ILE A 86 9.107 -2.573 -3.336 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.444 -2.103 -1.922 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.583 -2.584 -3.521 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.824 -1.448 -1.919 1.00 0.00 C ATOM 0 H ILE A 86 11.313 -2.835 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 86 9.628 -4.544 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 86 9.539 -1.902 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.692 -1.394 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.429 -2.948 -1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.193 -1.575 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.341 -2.936 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.132 -3.249 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.065 -1.112 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.570 -2.170 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.822 -0.593 -2.595 1.00 0.00 H new ATOM 1353 N PRO A 87 8.834 -4.364 -5.789 1.00 0.00 N ATOM 1354 CA PRO A 87 8.092 -5.127 -6.821 1.00 0.00 C ATOM 1355 C PRO A 87 8.629 -6.556 -6.885 1.00 0.00 C ATOM 1356 O PRO A 87 7.896 -7.500 -7.112 1.00 0.00 O ATOM 1357 CB PRO A 87 8.390 -4.344 -8.103 1.00 0.00 C ATOM 1358 CG PRO A 87 9.291 -3.146 -7.750 1.00 0.00 C ATOM 1359 CD PRO A 87 9.502 -3.117 -6.230 1.00 0.00 C ATOM 0 HA PRO A 87 7.022 -5.220 -6.634 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.884 -4.986 -8.832 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.462 -3.998 -8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.249 -3.231 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.831 -2.216 -8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.560 -3.109 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.054 -2.234 -5.775 1.00 0.00 H new ATOM 1367 N GLU A 88 9.904 -6.721 -6.652 1.00 0.00 N ATOM 1368 CA GLU A 88 10.493 -8.090 -6.659 1.00 0.00 C ATOM 1369 C GLU A 88 9.903 -8.875 -5.486 1.00 0.00 C ATOM 1370 O GLU A 88 9.346 -9.942 -5.653 1.00 0.00 O ATOM 1371 CB GLU A 88 11.998 -7.872 -6.473 1.00 0.00 C ATOM 1372 CG GLU A 88 12.770 -9.074 -7.018 1.00 0.00 C ATOM 1373 CD GLU A 88 13.127 -8.829 -8.485 1.00 0.00 C ATOM 1374 OE1 GLU A 88 13.591 -7.742 -8.789 1.00 0.00 O ATOM 1375 OE2 GLU A 88 12.931 -9.733 -9.281 1.00 0.00 O ATOM 0 H GLU A 88 10.562 -5.967 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 88 10.287 -8.650 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.309 -6.964 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.226 -7.731 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.676 -9.233 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.169 -9.978 -6.925 1.00 0.00 H new ATOM 1382 N LEU A 89 10.006 -8.330 -4.298 1.00 0.00 N ATOM 1383 CA LEU A 89 9.438 -9.005 -3.088 1.00 0.00 C ATOM 1384 C LEU A 89 7.996 -9.451 -3.356 1.00 0.00 C ATOM 1385 O LEU A 89 7.653 -10.607 -3.203 1.00 0.00 O ATOM 1386 CB LEU A 89 9.457 -7.926 -1.995 1.00 0.00 C ATOM 1387 CG LEU A 89 10.329 -8.374 -0.822 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.624 -7.173 0.081 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.590 -9.447 -0.019 1.00 0.00 C ATOM 0 H LEU A 89 10.464 -7.437 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 89 10.004 -9.894 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.839 -6.991 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.442 -7.731 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 89 11.266 -8.784 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.246 -7.491 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.149 -6.408 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.687 -6.764 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.211 -9.767 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.654 -9.038 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.379 -10.301 -0.662 1.00 0.00 H new ATOM 1401 N ILE A 90 7.147 -8.538 -3.752 1.00 0.00 N ATOM 1402 CA ILE A 90 5.726 -8.903 -4.029 1.00 0.00 C ATOM 1403 C ILE A 90 5.667 -10.019 -5.076 1.00 0.00 C ATOM 1404 O ILE A 90 4.858 -10.923 -4.990 1.00 0.00 O ATOM 1405 CB ILE A 90 5.078 -7.622 -4.566 1.00 0.00 C ATOM 1406 CG1 ILE A 90 5.157 -6.526 -3.500 1.00 0.00 C ATOM 1407 CG2 ILE A 90 3.609 -7.889 -4.905 1.00 0.00 C ATOM 1408 CD1 ILE A 90 5.264 -5.159 -4.179 1.00 0.00 C ATOM 0 H ILE A 90 7.377 -7.555 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 90 5.213 -9.271 -3.141 1.00 0.00 H new ATOM 0 HB ILE A 90 5.606 -7.302 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.273 -6.559 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.020 -6.692 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.152 -6.976 -5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.547 -8.670 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.081 -8.211 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.320 -4.379 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.161 -5.129 -4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.387 -4.994 -4.805 1.00 0.00 H new ATOM 1420 N ASN A 91 6.523 -9.966 -6.060 1.00 0.00 N ATOM 1421 CA ASN A 91 6.522 -11.027 -7.111 1.00 0.00 C ATOM 1422 C ASN A 91 6.803 -12.391 -6.475 1.00 0.00 C ATOM 1423 O ASN A 91 6.211 -13.389 -6.836 1.00 0.00 O ATOM 1424 CB ASN A 91 7.649 -10.639 -8.074 1.00 0.00 C ATOM 1425 CG ASN A 91 7.049 -10.152 -9.395 1.00 0.00 C ATOM 1426 OD1 ASN A 91 5.945 -9.646 -9.424 1.00 0.00 O ATOM 1427 ND2 ASN A 91 7.736 -10.285 -10.497 1.00 0.00 N ATOM 0 H ASN A 91 7.223 -9.235 -6.183 1.00 0.00 H new ATOM 0 HA ASN A 91 5.563 -11.103 -7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.265 -9.856 -7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.300 -11.495 -8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.346 -9.964 -11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.663 -10.710 -10.472 1.00 0.00 H new ATOM 1434 N TYR A 92 7.703 -12.439 -5.529 1.00 0.00 N ATOM 1435 CA TYR A 92 8.024 -13.736 -4.864 1.00 0.00 C ATOM 1436 C TYR A 92 6.769 -14.335 -4.222 1.00 0.00 C ATOM 1437 O TYR A 92 6.704 -15.519 -3.951 1.00 0.00 O ATOM 1438 CB TYR A 92 9.061 -13.388 -3.795 1.00 0.00 C ATOM 1439 CG TYR A 92 10.402 -13.167 -4.451 1.00 0.00 C ATOM 1440 CD1 TYR A 92 11.103 -14.253 -4.979 1.00 0.00 C ATOM 1441 CD2 TYR A 92 10.940 -11.878 -4.535 1.00 0.00 C ATOM 1442 CE1 TYR A 92 12.345 -14.054 -5.593 1.00 0.00 C ATOM 1443 CE2 TYR A 92 12.183 -11.678 -5.146 1.00 0.00 C ATOM 1444 CZ TYR A 92 12.885 -12.766 -5.676 1.00 0.00 C ATOM 1445 OH TYR A 92 14.111 -12.569 -6.280 1.00 0.00 O ATOM 0 H TYR A 92 8.230 -11.635 -5.188 1.00 0.00 H new ATOM 0 HA TYR A 92 8.398 -14.477 -5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.756 -12.492 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.130 -14.193 -3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.687 -15.247 -4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.396 -11.038 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.886 -14.894 -6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.600 -10.684 -5.208 1.00 0.00 H new ATOM 0 HH TYR A 92 14.339 -11.616 -6.254 1.00 0.00 H new ATOM 1455 N HIS A 93 5.771 -13.527 -3.974 1.00 0.00 N ATOM 1456 CA HIS A 93 4.523 -14.052 -3.350 1.00 0.00 C ATOM 1457 C HIS A 93 3.432 -14.227 -4.411 1.00 0.00 C ATOM 1458 O HIS A 93 2.700 -15.197 -4.407 1.00 0.00 O ATOM 1459 CB HIS A 93 4.114 -12.989 -2.329 1.00 0.00 C ATOM 1460 CG HIS A 93 5.017 -13.074 -1.129 1.00 0.00 C ATOM 1461 ND1 HIS A 93 4.523 -13.118 0.165 1.00 0.00 N ATOM 1462 CD2 HIS A 93 6.384 -13.124 -1.011 1.00 0.00 C ATOM 1463 CE1 HIS A 93 5.576 -13.191 0.999 1.00 0.00 C ATOM 1464 NE2 HIS A 93 6.736 -13.198 0.333 1.00 0.00 N ATOM 0 H HIS A 93 5.767 -12.527 -4.177 1.00 0.00 H new ATOM 0 HA HIS A 93 4.672 -15.027 -2.886 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.177 -11.997 -2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.077 -13.138 -2.029 1.00 0.00 H new ATOM 0 HD2 HIS A 93 7.080 -13.108 -1.836 1.00 0.00 H new ATOM 0 HE1 HIS A 93 5.495 -13.238 2.075 1.00 0.00 H new ATOM 0 HE2 HIS A 93 7.676 -13.247 0.726 1.00 0.00 H new ATOM 1472 N GLN A 94 3.318 -13.293 -5.318 1.00 0.00 N ATOM 1473 CA GLN A 94 2.273 -13.402 -6.378 1.00 0.00 C ATOM 1474 C GLN A 94 2.851 -14.062 -7.635 1.00 0.00 C ATOM 1475 O GLN A 94 2.380 -15.093 -8.076 1.00 0.00 O ATOM 1476 CB GLN A 94 1.855 -11.958 -6.674 1.00 0.00 C ATOM 1477 CG GLN A 94 0.348 -11.804 -6.455 1.00 0.00 C ATOM 1478 CD GLN A 94 0.020 -10.336 -6.176 1.00 0.00 C ATOM 1479 OE1 GLN A 94 0.456 -9.457 -6.892 1.00 0.00 O ATOM 1480 NE2 GLN A 94 -0.735 -10.032 -5.156 1.00 0.00 N ATOM 0 H GLN A 94 3.903 -12.459 -5.371 1.00 0.00 H new ATOM 0 HA GLN A 94 1.430 -14.015 -6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.399 -11.271 -6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.112 -11.698 -7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.195 -12.148 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.026 -12.425 -5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.101 -10.770 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.959 -9.056 -4.960 1.00 0.00 H new ATOM 1489 N HIS A 95 3.865 -13.476 -8.216 1.00 0.00 N ATOM 1490 CA HIS A 95 4.469 -14.069 -9.447 1.00 0.00 C ATOM 1491 C HIS A 95 4.968 -15.491 -9.167 1.00 0.00 C ATOM 1492 O HIS A 95 5.049 -16.315 -10.057 1.00 0.00 O ATOM 1493 CB HIS A 95 5.643 -13.152 -9.800 1.00 0.00 C ATOM 1494 CG HIS A 95 5.200 -12.137 -10.818 1.00 0.00 C ATOM 1495 ND1 HIS A 95 4.120 -11.297 -10.602 1.00 0.00 N ATOM 1496 CD2 HIS A 95 5.684 -11.814 -12.061 1.00 0.00 C ATOM 1497 CE1 HIS A 95 3.989 -10.516 -11.690 1.00 0.00 C ATOM 1498 NE2 HIS A 95 4.917 -10.790 -12.611 1.00 0.00 N ATOM 0 H HIS A 95 4.301 -12.613 -7.892 1.00 0.00 H new ATOM 0 HA HIS A 95 3.747 -14.141 -10.261 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.007 -12.649 -8.904 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.472 -13.740 -10.194 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.531 -12.283 -12.540 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.226 -9.760 -11.805 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.038 -10.345 -13.521 1.00 0.00 H new ATOM 1506 N ASN A 96 5.304 -15.782 -7.940 1.00 0.00 N ATOM 1507 CA ASN A 96 5.799 -17.151 -7.605 1.00 0.00 C ATOM 1508 C ASN A 96 4.630 -18.138 -7.553 1.00 0.00 C ATOM 1509 O ASN A 96 4.592 -19.108 -8.284 1.00 0.00 O ATOM 1510 CB ASN A 96 6.448 -17.014 -6.228 1.00 0.00 C ATOM 1511 CG ASN A 96 7.156 -18.321 -5.865 1.00 0.00 C ATOM 1512 OD1 ASN A 96 6.750 -19.384 -6.289 1.00 0.00 O ATOM 1513 ND2 ASN A 96 8.208 -18.285 -5.092 1.00 0.00 N ATOM 0 H ASN A 96 5.258 -15.133 -7.155 1.00 0.00 H new ATOM 0 HA ASN A 96 6.501 -17.529 -8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.162 -16.190 -6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.692 -16.778 -5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.689 -19.150 -4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.549 -17.392 -4.736 1.00 0.00 H new ATOM 1520 N SER A 97 3.676 -17.898 -6.693 1.00 0.00 N ATOM 1521 CA SER A 97 2.509 -18.822 -6.592 1.00 0.00 C ATOM 1522 C SER A 97 1.250 -18.146 -7.142 1.00 0.00 C ATOM 1523 O SER A 97 0.546 -17.453 -6.434 1.00 0.00 O ATOM 1524 CB SER A 97 2.357 -19.104 -5.099 1.00 0.00 C ATOM 1525 OG SER A 97 1.103 -19.733 -4.866 1.00 0.00 O ATOM 0 H SER A 97 3.655 -17.102 -6.056 1.00 0.00 H new ATOM 0 HA SER A 97 2.655 -19.736 -7.167 1.00 0.00 H new ATOM 0 HB2 SER A 97 3.168 -19.745 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.422 -18.175 -4.533 1.00 0.00 H new ATOM 0 HG SER A 97 1.002 -19.917 -3.909 1.00 0.00 H new ATOM 1531 N ALA A 98 0.960 -18.346 -8.401 1.00 0.00 N ATOM 1532 CA ALA A 98 -0.255 -17.718 -8.998 1.00 0.00 C ATOM 1533 C ALA A 98 -1.516 -18.427 -8.498 1.00 0.00 C ATOM 1534 O ALA A 98 -1.525 -19.626 -8.295 1.00 0.00 O ATOM 1535 CB ALA A 98 -0.099 -17.905 -10.508 1.00 0.00 C ATOM 0 H ALA A 98 1.512 -18.917 -9.041 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.351 -16.667 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.957 -17.468 -11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.813 -17.412 -10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.043 -18.969 -10.739 1.00 0.00 H new ATOM 1541 N GLY A 99 -2.581 -17.696 -8.298 1.00 0.00 N ATOM 1542 CA GLY A 99 -3.840 -18.327 -7.811 1.00 0.00 C ATOM 1543 C GLY A 99 -5.043 -17.549 -8.350 1.00 0.00 C ATOM 1544 O GLY A 99 -5.875 -18.086 -9.056 1.00 0.00 O ATOM 0 H GLY A 99 -2.632 -16.689 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.889 -19.366 -8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.857 -18.335 -6.721 1.00 0.00 H new ATOM 1548 N LEU A 100 -5.141 -16.289 -8.022 1.00 0.00 N ATOM 1549 CA LEU A 100 -6.290 -15.474 -8.516 1.00 0.00 C ATOM 1550 C LEU A 100 -6.109 -15.151 -10.001 1.00 0.00 C ATOM 1551 O LEU A 100 -5.243 -15.691 -10.663 1.00 0.00 O ATOM 1552 CB LEU A 100 -6.258 -14.194 -7.678 1.00 0.00 C ATOM 1553 CG LEU A 100 -6.590 -14.526 -6.220 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -5.556 -13.875 -5.298 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -7.983 -13.991 -5.877 1.00 0.00 C ATOM 0 H LEU A 100 -4.476 -15.788 -7.433 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.241 -15.999 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.273 -13.731 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.975 -13.473 -8.070 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.571 -15.607 -6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.793 -14.112 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.563 -14.255 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.574 -12.794 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.218 -14.228 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.002 -12.910 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.722 -14.454 -6.531 1.00 0.00 H new ATOM 1567 N ILE A 101 -6.919 -14.273 -10.530 1.00 0.00 N ATOM 1568 CA ILE A 101 -6.796 -13.914 -11.974 1.00 0.00 C ATOM 1569 C ILE A 101 -5.815 -12.751 -12.147 1.00 0.00 C ATOM 1570 O ILE A 101 -4.793 -12.880 -12.791 1.00 0.00 O ATOM 1571 CB ILE A 101 -8.205 -13.498 -12.403 1.00 0.00 C ATOM 1572 CG1 ILE A 101 -9.169 -14.667 -12.189 1.00 0.00 C ATOM 1573 CG2 ILE A 101 -8.197 -13.112 -13.884 1.00 0.00 C ATOM 1574 CD1 ILE A 101 -9.858 -14.520 -10.831 1.00 0.00 C ATOM 0 H ILE A 101 -7.661 -13.788 -10.025 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.417 -14.741 -12.574 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.527 -12.644 -11.807 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.913 -14.689 -12.985 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.627 -15.612 -12.233 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.201 -12.816 -14.188 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.511 -12.280 -14.039 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.874 -13.965 -14.481 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.544 -15.353 -10.679 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.108 -14.520 -10.040 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -10.414 -13.583 -10.804 1.00 0.00 H new ATOM 1586 N SER A 102 -6.119 -11.616 -11.575 1.00 0.00 N ATOM 1587 CA SER A 102 -5.207 -10.443 -11.706 1.00 0.00 C ATOM 1588 C SER A 102 -4.291 -10.345 -10.483 1.00 0.00 C ATOM 1589 O SER A 102 -4.705 -10.587 -9.365 1.00 0.00 O ATOM 1590 CB SER A 102 -6.130 -9.228 -11.781 1.00 0.00 C ATOM 1591 OG SER A 102 -6.972 -9.208 -10.637 1.00 0.00 O ATOM 0 H SER A 102 -6.960 -11.451 -11.022 1.00 0.00 H new ATOM 0 HA SER A 102 -4.562 -10.519 -12.581 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.541 -8.312 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.732 -9.269 -12.689 1.00 0.00 H new ATOM 0 HG SER A 102 -6.583 -8.622 -9.955 1.00 0.00 H new ATOM 1597 N ARG A 103 -3.050 -9.992 -10.686 1.00 0.00 N ATOM 1598 CA ARG A 103 -2.106 -9.876 -9.535 1.00 0.00 C ATOM 1599 C ARG A 103 -2.571 -8.774 -8.580 1.00 0.00 C ATOM 1600 O ARG A 103 -2.673 -8.978 -7.385 1.00 0.00 O ATOM 1601 CB ARG A 103 -0.758 -9.511 -10.160 1.00 0.00 C ATOM 1602 CG ARG A 103 -0.304 -10.634 -11.096 1.00 0.00 C ATOM 1603 CD ARG A 103 0.771 -11.476 -10.404 1.00 0.00 C ATOM 1604 NE ARG A 103 1.177 -12.489 -11.419 1.00 0.00 N ATOM 1605 CZ ARG A 103 0.502 -13.599 -11.539 1.00 0.00 C ATOM 1606 NH1 ARG A 103 0.465 -14.450 -10.550 1.00 0.00 N ATOM 1607 NH2 ARG A 103 -0.137 -13.859 -12.647 1.00 0.00 N ATOM 0 H ARG A 103 -2.648 -9.779 -11.599 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.049 -10.797 -8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.844 -8.576 -10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.015 -9.352 -9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.153 -11.261 -11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.089 -10.213 -12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 103 1.618 -10.862 -10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.381 -11.952 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 103 1.983 -12.314 -12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.964 -14.247 -9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.063 -15.318 -10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.109 -13.194 -13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.664 -14.727 -12.740 1.00 0.00 H new ATOM 1621 N LEU A 104 -2.853 -7.609 -9.097 1.00 0.00 N ATOM 1622 CA LEU A 104 -3.314 -6.491 -8.222 1.00 0.00 C ATOM 1623 C LEU A 104 -4.828 -6.575 -8.014 1.00 0.00 C ATOM 1624 O LEU A 104 -5.516 -7.308 -8.698 1.00 0.00 O ATOM 1625 CB LEU A 104 -2.945 -5.216 -8.982 1.00 0.00 C ATOM 1626 CG LEU A 104 -2.889 -4.035 -8.008 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -1.639 -3.197 -8.289 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -4.134 -3.163 -8.189 1.00 0.00 C ATOM 0 H LEU A 104 -2.784 -7.382 -10.089 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.856 -6.522 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.981 -5.340 -9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.679 -5.021 -9.764 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.853 -4.412 -6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.601 -2.357 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.750 -3.815 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.675 -2.822 -9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.094 -2.323 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.170 -2.788 -9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.026 -3.756 -7.988 1.00 0.00 H new ATOM 1640 N LYS A 105 -5.353 -5.831 -7.077 1.00 0.00 N ATOM 1641 CA LYS A 105 -6.823 -5.871 -6.830 1.00 0.00 C ATOM 1642 C LYS A 105 -7.527 -4.765 -7.623 1.00 0.00 C ATOM 1643 O LYS A 105 -8.039 -5.003 -8.699 1.00 0.00 O ATOM 1644 CB LYS A 105 -6.981 -5.653 -5.327 1.00 0.00 C ATOM 1645 CG LYS A 105 -6.763 -6.977 -4.592 1.00 0.00 C ATOM 1646 CD LYS A 105 -8.018 -7.843 -4.715 1.00 0.00 C ATOM 1647 CE LYS A 105 -7.702 -9.270 -4.264 1.00 0.00 C ATOM 1648 NZ LYS A 105 -8.646 -10.132 -5.028 1.00 0.00 N ATOM 0 H LYS A 105 -4.828 -5.198 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.270 -6.813 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.263 -4.910 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.975 -5.263 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.904 -7.501 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.539 -6.789 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.820 -7.427 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.370 -7.846 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.666 -9.532 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.844 -9.385 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.491 -11.128 -4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.624 -9.864 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.483 -10.006 -6.047 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.558 -3.556 -7.114 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.232 -2.461 -7.872 1.00 0.00 C ATOM 1664 C TYR A 106 -7.287 -1.256 -8.021 1.00 0.00 C ATOM 1665 O TYR A 106 -6.888 -0.668 -7.035 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.459 -2.078 -7.044 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.165 -0.936 -7.729 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -11.120 -1.192 -8.719 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -9.848 0.381 -7.385 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -11.760 -0.126 -9.364 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -10.483 1.447 -8.030 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.440 1.193 -9.021 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.069 2.243 -9.658 1.00 0.00 O ATOM 0 H TYR A 106 -7.151 -3.285 -6.219 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.510 -2.778 -8.877 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.129 -2.932 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.160 -1.788 -6.037 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.363 -2.210 -8.985 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.111 0.576 -6.620 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.500 -0.322 -10.126 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.236 2.464 -7.765 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.849 2.523 -9.135 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.952 -0.924 -9.248 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.042 0.218 -9.507 1.00 0.00 C ATOM 1685 C PRO A 107 -6.688 1.555 -9.119 1.00 0.00 C ATOM 1686 O PRO A 107 -7.557 2.059 -9.804 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.830 0.143 -11.023 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.641 -1.042 -11.579 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.445 -1.669 -10.434 1.00 0.00 C ATOM 0 HA PRO A 107 -5.120 0.164 -8.929 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.148 1.073 -11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.772 0.016 -11.250 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.311 -0.703 -12.370 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.974 -1.782 -12.021 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.518 -1.542 -10.575 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.259 -2.739 -10.347 1.00 0.00 H new ATOM 1697 N VAL A 108 -6.246 2.141 -8.040 1.00 0.00 N ATOM 1698 CA VAL A 108 -6.796 3.456 -7.608 1.00 0.00 C ATOM 1699 C VAL A 108 -5.646 4.344 -7.101 1.00 0.00 C ATOM 1700 O VAL A 108 -4.696 3.852 -6.526 1.00 0.00 O ATOM 1701 CB VAL A 108 -7.775 3.110 -6.485 1.00 0.00 C ATOM 1702 CG1 VAL A 108 -7.019 2.833 -5.182 1.00 0.00 C ATOM 1703 CG2 VAL A 108 -8.746 4.274 -6.275 1.00 0.00 C ATOM 0 H VAL A 108 -5.520 1.760 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.289 4.007 -8.409 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.329 2.215 -6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.731 2.588 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.337 1.995 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.450 3.718 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.443 4.026 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.187 5.170 -6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.300 4.456 -7.196 1.00 0.00 H new ATOM 1713 N SER A 109 -5.710 5.637 -7.303 1.00 0.00 N ATOM 1714 CA SER A 109 -4.603 6.509 -6.818 1.00 0.00 C ATOM 1715 C SER A 109 -5.135 7.522 -5.816 1.00 0.00 C ATOM 1716 O SER A 109 -6.264 7.442 -5.374 1.00 0.00 O ATOM 1717 CB SER A 109 -4.068 7.239 -8.053 1.00 0.00 C ATOM 1718 OG SER A 109 -4.274 6.446 -9.212 1.00 0.00 O ATOM 0 H SER A 109 -6.473 6.120 -7.778 1.00 0.00 H new ATOM 0 HA SER A 109 -3.826 5.926 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.572 8.199 -8.165 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.006 7.449 -7.930 1.00 0.00 H new ATOM 0 HG SER A 109 -3.454 5.952 -9.421 1.00 0.00 H new ATOM 1724 N GLN A 110 -4.318 8.484 -5.477 1.00 0.00 N ATOM 1725 CA GLN A 110 -4.720 9.558 -4.515 1.00 0.00 C ATOM 1726 C GLN A 110 -6.214 9.884 -4.627 1.00 0.00 C ATOM 1727 O GLN A 110 -6.885 10.112 -3.639 1.00 0.00 O ATOM 1728 CB GLN A 110 -3.890 10.767 -4.943 1.00 0.00 C ATOM 1729 CG GLN A 110 -4.025 10.967 -6.457 1.00 0.00 C ATOM 1730 CD GLN A 110 -2.954 11.948 -6.937 1.00 0.00 C ATOM 1731 OE1 GLN A 110 -3.253 12.911 -7.616 1.00 0.00 O ATOM 1732 NE2 GLN A 110 -1.707 11.741 -6.608 1.00 0.00 N ATOM 0 H GLN A 110 -3.367 8.574 -5.834 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.551 9.260 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.228 11.659 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -2.844 10.616 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.917 10.013 -6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -5.017 11.348 -6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.457 10.933 -6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.983 12.388 -6.921 1.00 0.00 H new ATOM 1741 N GLN A 111 -6.737 9.907 -5.823 1.00 0.00 N ATOM 1742 CA GLN A 111 -8.178 10.212 -6.003 1.00 0.00 C ATOM 1743 C GLN A 111 -8.741 9.419 -7.194 1.00 0.00 C ATOM 1744 O GLN A 111 -8.461 8.247 -7.345 1.00 0.00 O ATOM 1745 CB GLN A 111 -8.229 11.724 -6.252 1.00 0.00 C ATOM 1746 CG GLN A 111 -7.456 12.067 -7.531 1.00 0.00 C ATOM 1747 CD GLN A 111 -8.322 12.948 -8.433 1.00 0.00 C ATOM 1748 OE1 GLN A 111 -9.529 12.814 -8.455 1.00 0.00 O ATOM 1749 NE2 GLN A 111 -7.753 13.851 -9.184 1.00 0.00 N ATOM 0 H GLN A 111 -6.222 9.726 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 111 -8.783 9.932 -5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -9.265 12.052 -6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -7.800 12.256 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -6.530 12.585 -7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.178 11.153 -8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -6.739 13.964 -9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.322 14.444 -9.789 1.00 0.00 H new ATOM 1758 N ASN A 112 -9.541 10.039 -8.031 1.00 0.00 N ATOM 1759 CA ASN A 112 -10.126 9.314 -9.199 1.00 0.00 C ATOM 1760 C ASN A 112 -11.087 8.241 -8.694 1.00 0.00 C ATOM 1761 O ASN A 112 -10.920 7.066 -8.955 1.00 0.00 O ATOM 1762 CB ASN A 112 -8.943 8.683 -9.941 1.00 0.00 C ATOM 1763 CG ASN A 112 -9.239 8.652 -11.441 1.00 0.00 C ATOM 1764 OD1 ASN A 112 -10.385 8.634 -11.846 1.00 0.00 O ATOM 1765 ND2 ASN A 112 -8.248 8.645 -12.289 1.00 0.00 N ATOM 0 H ASN A 112 -9.813 11.019 -7.953 1.00 0.00 H new ATOM 0 HA ASN A 112 -10.687 9.975 -9.859 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -8.034 9.254 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -8.767 7.672 -9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.435 8.624 -13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.286 8.660 -11.950 1.00 0.00 H new ATOM 1772 N LYS A 113 -12.091 8.645 -7.966 1.00 0.00 N ATOM 1773 CA LYS A 113 -13.068 7.660 -7.426 1.00 0.00 C ATOM 1774 C LYS A 113 -14.070 7.271 -8.512 1.00 0.00 C ATOM 1775 O LYS A 113 -14.760 8.110 -9.060 1.00 0.00 O ATOM 1776 CB LYS A 113 -13.780 8.382 -6.277 1.00 0.00 C ATOM 1777 CG LYS A 113 -12.748 8.970 -5.308 1.00 0.00 C ATOM 1778 CD LYS A 113 -11.979 7.836 -4.627 1.00 0.00 C ATOM 1779 CE LYS A 113 -10.542 8.285 -4.340 1.00 0.00 C ATOM 1780 NZ LYS A 113 -10.674 9.539 -3.545 1.00 0.00 N ATOM 0 H LYS A 113 -12.277 9.618 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 113 -12.584 6.744 -7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.413 9.176 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -14.433 7.687 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.057 9.619 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -13.247 9.586 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.475 7.554 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -11.973 6.953 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.995 7.523 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -9.993 8.461 -5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.766 9.756 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.940 10.323 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.408 9.414 -2.819 1.00 0.00 H new ATOM 1794 N ASN A 114 -14.157 6.007 -8.832 1.00 0.00 N ATOM 1795 CA ASN A 114 -15.115 5.573 -9.889 1.00 0.00 C ATOM 1796 C ASN A 114 -15.164 4.048 -9.975 1.00 0.00 C ATOM 1797 O ASN A 114 -14.500 3.352 -9.235 1.00 0.00 O ATOM 1798 CB ASN A 114 -14.566 6.160 -11.190 1.00 0.00 C ATOM 1799 CG ASN A 114 -13.133 5.670 -11.422 1.00 0.00 C ATOM 1800 OD1 ASN A 114 -12.638 4.829 -10.697 1.00 0.00 O ATOM 1801 ND2 ASN A 114 -12.440 6.165 -12.410 1.00 0.00 N ATOM 0 H ASN A 114 -13.608 5.259 -8.408 1.00 0.00 H new ATOM 0 HA ASN A 114 -16.130 5.911 -9.681 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -15.200 5.866 -12.027 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -14.584 7.249 -11.143 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -11.485 5.846 -12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.853 6.871 -13.020 1.00 0.00 H new ATOM 1808 N ALA A 115 -15.947 3.528 -10.883 1.00 0.00 N ATOM 1809 CA ALA A 115 -16.050 2.044 -11.037 1.00 0.00 C ATOM 1810 C ALA A 115 -17.122 1.680 -12.080 1.00 0.00 C ATOM 1811 O ALA A 115 -16.822 0.995 -13.038 1.00 0.00 O ATOM 1812 CB ALA A 115 -16.428 1.503 -9.654 1.00 0.00 C ATOM 0 H ALA A 115 -16.523 4.069 -11.528 1.00 0.00 H new ATOM 0 HA ALA A 115 -15.113 1.612 -11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.519 0.418 -9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.655 1.772 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -17.379 1.934 -9.342 1.00 0.00 H new ATOM 1818 N PRO A 116 -18.344 2.140 -11.880 1.00 0.00 N ATOM 1819 CA PRO A 116 -19.427 1.829 -12.845 1.00 0.00 C ATOM 1820 C PRO A 116 -19.086 2.380 -14.233 1.00 0.00 C ATOM 1821 O PRO A 116 -19.058 3.577 -14.446 1.00 0.00 O ATOM 1822 CB PRO A 116 -20.638 2.552 -12.246 1.00 0.00 C ATOM 1823 CG PRO A 116 -20.202 3.258 -10.949 1.00 0.00 C ATOM 1824 CD PRO A 116 -18.712 2.980 -10.709 1.00 0.00 C ATOM 0 HA PRO A 116 -19.594 0.761 -12.984 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -21.034 3.278 -12.956 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -21.438 1.841 -12.038 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -20.378 4.331 -11.026 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -20.793 2.898 -10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -18.129 3.900 -10.672 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -18.544 2.458 -9.767 1.00 0.00 H new ATOM 1832 N SER A 117 -18.828 1.516 -15.178 1.00 0.00 N ATOM 1833 CA SER A 117 -18.490 1.988 -16.552 1.00 0.00 C ATOM 1834 C SER A 117 -19.770 2.279 -17.341 1.00 0.00 C ATOM 1835 O SER A 117 -20.050 3.408 -17.691 1.00 0.00 O ATOM 1836 CB SER A 117 -17.717 0.833 -17.189 1.00 0.00 C ATOM 1837 OG SER A 117 -16.325 1.119 -17.143 1.00 0.00 O ATOM 0 H SER A 117 -18.837 0.503 -15.058 1.00 0.00 H new ATOM 0 HA SER A 117 -17.908 2.910 -16.541 1.00 0.00 H new ATOM 0 HB2 SER A 117 -17.927 -0.096 -16.660 1.00 0.00 H new ATOM 0 HB3 SER A 117 -18.037 0.691 -18.221 1.00 0.00 H new ATOM 0 HG SER A 117 -15.826 0.380 -17.549 1.00 0.00 H new ATOM 1843 N THR A 118 -20.547 1.267 -17.621 1.00 0.00 N ATOM 1844 CA THR A 118 -21.809 1.481 -18.387 1.00 0.00 C ATOM 1845 C THR A 118 -22.984 0.810 -17.670 1.00 0.00 C ATOM 1846 O THR A 118 -22.764 -0.217 -17.049 1.00 0.00 O ATOM 1847 CB THR A 118 -21.565 0.824 -19.747 1.00 0.00 C ATOM 1848 OG1 THR A 118 -20.326 1.277 -20.273 1.00 0.00 O ATOM 1849 CG2 THR A 118 -22.696 1.195 -20.706 1.00 0.00 C ATOM 0 H THR A 118 -20.362 0.301 -17.352 1.00 0.00 H new ATOM 0 HA THR A 118 -22.058 2.538 -18.484 1.00 0.00 H new ATOM 0 HB THR A 118 -21.536 -0.259 -19.628 1.00 0.00 H new ATOM 0 HG1 THR A 118 -20.167 0.856 -21.144 1.00 0.00 H new ATOM 0 HG21 THR A 118 -22.521 0.726 -21.674 1.00 0.00 H new ATOM 0 HG22 THR A 118 -23.646 0.846 -20.301 1.00 0.00 H new ATOM 0 HG23 THR A 118 -22.729 2.278 -20.828 1.00 0.00 H new TER 1857 THR A 118